#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufn s SER 2 N 0.00 0.55 0.20 1.61 1.04 -1.26 -5.05 113.70 110.78 1ufn s SER 2 Ca 0.00 -1.14 -0.11 0.00 0.48 0.00 0.00 55.95 55.18 1ufn s SER 2 Cb 0.00 0.23 0.17 0.00 0.10 0.00 0.00 66.02 66.52 1ufn s SER 2 CO 0.00 -0.66 1.84 0.77 0.98 0.00 0.00 173.24 176.17 1ufn h SER 3 N 2.91 0.66 0.00 7.02 4.64 -2.13 -3.48 113.55 123.17 1ufn h SER 3 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1ufn h SER 3 Cb 1.18 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ufn h SER 3 CO 0.62 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 1ufn n GLY 4 N -1.28 -0.63 3.89 -0.77 0.00 -1.26 -5.15 105.19 99.99 1ufn n GLY 4 Ca 0.07 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.00 6.53 -0.23 1.61 1.04 -1.26 -5.06 113.70 112.32 1ufn s SER 5 Ca 0.00 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 56.86 1ufn s SER 5 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1ufn s SER 5 CO 0.00 0.06 0.73 -0.94 0.98 0.00 0.00 173.24 174.07 1ufn s SER 6 N -2.30 6.73 0.00 7.02 1.04 -1.26 -5.05 113.70 119.88 1ufn s SER 6 Ca 0.40 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.73 1ufn s SER 6 Cb -0.12 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1ufn s SER 6 CO 0.23 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1ufn n GLY 7 N 3.86 1.57 3.72 7.32 0.00 -1.26 -5.03 105.19 115.38 1ufn n GLY 7 Ca 0.02 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1ufn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ufn s ASN 8 N -1.00 6.81 0.09 1.61 -0.87 -1.26 -4.88 114.94 115.44 1ufn s ASN 8 Ca 0.00 2.40 0.16 0.00 -1.57 0.00 0.00 52.86 53.85 1ufn s ASN 8 Cb 0.00 -2.60 0.67 0.00 -0.02 0.00 0.00 41.25 39.31 1ufn s ASN 8 CO 0.00 -0.64 1.48 0.47 -2.57 0.00 0.00 177.10 175.85 1ufn n ASP 9 N 3.42 0.22 -4.71 -1.22 8.00 -1.26 -4.67 116.55 116.34 1ufn n ASP 9 Ca 0.10 0.56 -0.41 0.00 0.71 0.00 0.00 54.79 55.75 1ufn n ASP 9 Cb 0.42 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 1ufn n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ufn s ALA 10 N -3.13 3.24 -0.12 2.24 0.00 -1.26 -4.93 121.76 117.80 1ufn s ALA 10 Ca 0.05 0.38 0.13 0.00 0.00 0.00 0.00 51.96 52.51 1ufn s ALA 10 Cb 0.08 -3.21 -0.18 0.00 0.00 0.00 0.00 23.12 19.81 1ufn s ALA 10 CO 0.26 -0.21 0.09 0.28 0.00 0.00 0.00 175.76 176.18 1ufn n VAL 11 N 3.91 0.83 1.37 0.00 0.31 -1.26 -4.38 118.33 119.10 1ufn n VAL 11 Ca 0.04 -0.56 0.01 0.00 -0.01 0.00 0.00 64.34 63.81 1ufn n VAL 11 Cb 0.51 -0.52 0.02 0.00 -0.91 0.00 0.00 33.84 32.94 1ufn n VAL 11 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ufn n ASP 12 N -2.45 0.75 -3.27 4.52 5.68 -1.26 -4.52 116.55 116.00 1ufn n ASP 12 Ca -0.20 -2.03 -0.06 0.00 -0.50 0.00 0.00 54.79 52.01 1ufn n ASP 12 Cb 0.88 -0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 40.53 1ufn n ASP 12 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1ufn s PHE 13 N -1.51 -1.16 -0.01 2.11 5.36 -1.26 -5.15 117.98 116.35 1ufn s PHE 13 Ca 0.03 0.72 0.02 0.00 -0.96 0.00 0.00 56.93 56.74 1ufn s PHE 13 Cb 0.02 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.71 1ufn s PHE 13 CO 0.01 -0.92 -0.03 -1.54 -1.46 0.00 0.00 175.22 171.28 1ufn s SER 14 N 2.62 4.92 0.00 6.13 1.04 -1.26 -4.86 113.70 122.29 1ufn s SER 14 Ca 0.12 -0.05 0.12 0.00 0.48 0.00 0.00 55.95 56.62 1ufn s SER 14 Cb -0.13 -1.24 0.70 0.00 0.10 0.00 0.00 66.02 65.44 1ufn s SER 14 CO -0.25 0.29 1.13 -0.81 0.98 0.00 0.00 173.24 174.58 1ufn n PRO 15 N 1.56 0.49 -5.23 4.02 -0.04 -1.26 -4.66 135.00 129.89 1ufn n PRO 15 Ca -0.15 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 1ufn n PRO 15 Cb 0.53 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.46 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 2.23 -0.01 0.52 -4.23 -1.26 -0.35 115.64 110.54 1ufn s THR 16 Ca 0.17 -1.03 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1ufn s THR 16 Cb 0.08 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 72.12 1ufn s THR 16 CO 0.13 0.58 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.96 1ufn s LEU 17 N -0.54 1.89 -0.19 4.79 1.43 0.16 -4.95 118.68 121.27 1ufn s LEU 17 Ca 0.08 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.75 1ufn s LEU 17 Cb -0.11 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 1ufn s LEU 17 CO 0.00 0.07 1.59 -2.16 0.23 0.00 0.00 176.35 176.07 1ufn s PRO 18 N 0.02 3.90 0.17 1.29 0.04 -1.26 -0.26 135.00 138.89 1ufn s PRO 18 Ca 0.00 1.74 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1ufn s PRO 18 Cb -0.05 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1ufn s PRO 18 CO -0.00 -1.17 -0.23 0.14 0.04 0.00 0.00 177.00 175.78 1ufn s VAL 19 N 4.85 2.44 -0.16 -0.36 -7.23 -1.06 -4.15 120.40 114.74 1ufn s VAL 19 Ca 0.70 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.89 1ufn s VAL 19 Cb -0.26 -2.15 0.06 0.00 0.56 0.00 0.00 36.38 34.59 1ufn s VAL 19 CO 0.28 -0.05 0.37 0.42 -0.31 0.00 0.00 175.10 175.81 1ufn s THR 20 N -1.49 -0.11 -0.30 5.32 -4.23 -0.81 -1.62 115.64 112.41 1ufn s THR 20 Ca 0.19 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.83 1ufn s THR 20 Cb -0.09 -0.57 0.09 0.00 1.34 0.00 0.00 72.50 73.28 1ufn s THR 20 CO 0.09 0.05 0.05 0.00 -0.54 0.00 0.00 174.62 174.27 1ufn n GLY 22 N 4.66 1.30 1.55 0.00 0.00 -1.26 0.35 105.19 111.79 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 3.83 -5.08 1.61 4.76 -1.24 -4.90 118.16 117.13 1ufn n LYS 23 Ca 0.00 -2.59 -0.31 0.00 -2.87 0.00 0.00 58.31 52.54 1ufn n LYS 23 Cb 0.00 -1.97 -0.15 0.00 -1.84 0.00 0.00 35.03 31.07 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 -2.13 2.32 -0.05 7.82 0.00 0.16 -4.58 121.76 125.30 1ufn s ALA 24 Ca 0.46 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1ufn s ALA 24 Cb 0.32 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1ufn s ALA 24 CO 0.18 0.54 0.12 0.15 0.00 0.00 0.00 175.76 176.75 1ufn s LYS 25 N -0.85 0.10 0.00 0.00 1.02 -1.26 0.16 119.74 118.91 1ufn s LYS 25 Ca 0.11 0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1ufn s LYS 25 Cb -0.10 -0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1ufn s LYS 25 CO 0.01 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1ufn n GLY 26 N 3.63 3.18 3.32 -3.33 0.00 -0.64 -3.13 105.19 108.22 1ufn n GLY 26 Ca -0.20 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.32 -0.17 -0.01 2.61 2.01 -0.02 -2.55 115.64 117.19 1ufn s THR 27 Ca 0.00 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 1ufn s THR 27 Cb 0.00 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1ufn s THR 27 CO 0.00 0.04 0.73 -0.22 -0.69 0.00 0.00 174.62 174.48 1ufn s LEU 28 N 1.71 4.39 -0.42 4.42 2.96 0.64 -1.09 118.68 131.29 1ufn s LEU 28 Ca -0.08 1.32 -0.06 0.00 -0.22 0.00 0.00 54.13 55.09 1ufn s LEU 28 Cb -0.09 -3.15 0.10 0.00 0.50 0.00 0.00 46.19 43.55 1ufn s LEU 28 CO -0.14 -0.04 0.23 -0.36 -1.32 0.00 0.00 176.35 174.72 1ufn s PHE 29 N 0.33 3.46 0.37 5.38 0.40 -1.09 -0.67 117.98 126.16 1ufn s PHE 29 Ca 0.38 -2.03 0.19 0.00 -0.60 0.00 0.00 56.93 54.86 1ufn s PHE 29 Cb -0.19 -3.13 1.21 0.00 0.51 0.00 0.00 43.02 41.43 1ufn s PHE 29 CO 0.21 -0.93 1.64 1.96 0.70 0.00 0.00 175.22 178.79 1ufn h GLN 30 N 8.22 0.20 -0.55 0.44 4.20 -1.06 0.77 115.11 127.32 1ufn h GLN 30 Ca -0.18 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1ufn h GLN 30 Cb 1.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 1ufn h GLN 30 CO 0.74 0.13 0.34 1.49 -0.67 0.00 0.00 178.83 180.85 1ufn h GLU 31 N 0.20 0.75 0.00 1.46 4.81 -1.93 0.19 114.58 120.07 1ufn h GLU 31 Ca 0.77 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 1ufn h GLU 31 Cb 1.97 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.19 1ufn h GLU 31 CO -0.61 0.54 -0.09 1.63 -0.73 0.00 0.00 179.01 179.76 1ufn n LYS 32 N -4.65 0.07 -0.00 1.92 5.02 0.23 -3.50 118.16 117.25 1ufn n LYS 32 Ca 0.03 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 1ufn n LYS 32 Cb 0.05 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.34 1ufn n LYS 32 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ufn h LEU 33 N 0.00 0.19 -0.69 -0.35 5.85 0.39 -3.37 115.31 117.33 1ufn h LEU 33 Ca 0.00 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.46 1ufn h LEU 33 Cb 0.57 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.43 1ufn h LEU 33 CO 0.00 1.36 0.13 0.11 -0.34 0.00 0.00 178.44 179.70 1ufn h LYS 34 N 0.03 0.23 -0.29 1.25 1.57 -0.69 -1.58 116.57 117.10 1ufn h LYS 34 Ca -0.33 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.51 1ufn h LYS 34 Cb 2.02 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 34.20 1ufn h LYS 34 CO 0.09 0.15 -0.30 1.96 -0.57 0.00 0.00 179.45 180.78 1ufn h GLN 35 N 0.24 -0.28 0.00 3.15 1.08 -1.73 -3.47 115.11 114.11 1ufn h GLN 35 Ca 0.38 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1ufn h GLN 35 Cb 0.62 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1ufn h GLN 35 CO -0.50 -0.18 0.00 0.41 -0.95 0.00 0.00 178.83 177.61 1ufn n GLY 36 N -1.40 0.94 0.27 3.46 0.00 -0.59 -4.99 105.19 102.88 1ufn n GLY 36 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1ufn n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufn n ALA 37 N -0.08 2.51 0.17 4.61 0.00 -1.26 -2.89 120.51 123.57 1ufn n ALA 37 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1ufn n ALA 37 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1ufn n ALA 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ufn n SER 38 N -0.23 1.88 -4.88 0.00 7.64 -1.26 -3.95 113.62 112.82 1ufn n SER 38 Ca 0.00 -0.30 -0.30 0.00 1.01 0.00 0.00 58.87 59.29 1ufn n SER 38 Cb 0.14 1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 64.55 1ufn n SER 38 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ufn s LYS 39 N -2.26 3.69 -0.48 1.43 -0.14 -1.14 -4.67 119.74 116.17 1ufn s LYS 39 Ca -0.00 0.45 -0.28 0.00 -1.36 0.00 0.00 55.97 54.77 1ufn s LYS 39 Cb 0.06 -2.33 -0.00 0.00 -1.68 0.00 0.00 37.83 33.87 1ufn s LYS 39 CO 0.36 -0.17 1.63 0.15 -0.76 0.00 0.00 175.35 176.56 1ufn s LYS 40 N -4.30 3.20 -0.01 1.68 -0.14 -1.26 -3.95 119.74 114.95 1ufn s LYS 40 Ca 0.51 0.86 0.02 0.00 -1.36 0.00 0.00 55.97 56.00 1ufn s LYS 40 Cb -0.10 -4.19 -0.03 0.00 -1.68 0.00 0.00 37.83 31.83 1ufn s LYS 40 CO 0.38 -2.03 0.02 0.00 -0.76 0.00 0.00 175.35 172.96 1ufn s ILE 42 N -2.08 4.38 -0.35 0.00 1.01 -0.98 -2.68 121.20 120.49 1ufn s ILE 42 Ca -0.01 0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 1ufn s ILE 42 Cb 0.01 -4.55 -0.00 0.00 0.01 0.00 0.00 42.46 37.93 1ufn s ILE 42 CO 0.08 -1.12 0.48 -1.58 0.00 0.00 0.00 174.94 172.80 1ufn s GLN 43 N 3.98 3.59 1.18 2.79 0.74 -0.25 0.88 119.66 132.58 1ufn s GLN 43 Ca 0.31 -0.23 -0.19 0.00 0.05 0.00 0.00 55.36 55.29 1ufn s GLN 43 Cb -0.12 -3.81 0.28 0.00 1.10 0.00 0.00 33.01 30.45 1ufn s GLN 43 CO 0.19 -0.63 1.14 0.54 -0.55 0.00 0.00 175.29 175.99 1ufn s ASN 44 N 1.76 1.10 0.56 6.67 2.20 0.05 -0.84 114.94 126.44 1ufn s ASN 44 Ca 0.17 0.54 0.25 0.00 -0.94 0.00 0.00 52.86 52.88 1ufn s ASN 44 Cb -0.16 -0.73 1.61 0.00 -2.00 0.00 0.00 41.25 39.97 1ufn s ASN 44 CO 0.13 -4.00 2.21 -0.33 -2.94 0.00 0.00 177.10 172.17 1ufn h GLU 45 N -2.50 0.00 0.00 3.55 4.39 -1.87 0.64 114.58 118.79 1ufn h GLU 45 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 1ufn h GLU 45 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1ufn h GLU 45 CO 0.33 0.01 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 1ufn n ALA 46 N -2.40 2.39 0.00 3.43 0.00 -1.26 -4.84 120.51 117.83 1ufn n ALA 46 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ufn n ALA 46 Cb 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.49 3.02 3.77 0.00 0.00 0.22 -4.99 105.19 107.69 1ufn n GLY 47 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.17 6.55 0.11 1.61 -1.08 -1.26 -4.66 116.67 116.77 1ufn s ASP 48 Ca 0.00 2.51 -0.12 0.00 -0.52 0.00 0.00 52.55 54.42 1ufn s ASP 48 Cb 0.00 -2.63 -0.06 0.00 -1.46 0.00 0.00 42.92 38.77 1ufn s ASP 48 CO 0.00 -0.67 0.47 0.26 0.52 0.00 0.00 175.17 175.75 1ufn s TRP 49 N -1.29 3.59 -0.02 -5.34 0.52 -1.26 -0.77 118.94 114.37 1ufn s TRP 49 Ca 0.54 0.91 0.04 0.00 0.02 0.00 0.00 56.10 57.62 1ufn s TRP 49 Cb -0.35 -2.26 -0.01 0.00 -1.15 0.00 0.00 33.47 29.71 1ufn s TRP 49 CO 0.45 0.47 -0.13 -0.51 0.02 0.00 0.00 176.95 177.25 1ufn s LEU 50 N -1.94 1.97 0.42 2.99 2.01 0.26 -4.93 118.68 119.45 1ufn s LEU 50 Ca 0.35 -0.25 -0.25 0.00 0.01 0.00 0.00 54.13 53.99 1ufn s LEU 50 Cb -0.14 -0.72 -0.08 0.00 0.01 0.00 0.00 46.19 45.26 1ufn s LEU 50 CO 0.19 0.15 1.18 0.42 1.01 0.00 0.00 176.35 179.30 1ufn s THR 51 N -0.19 3.09 0.35 5.49 -4.23 -1.26 -2.33 115.64 116.56 1ufn s THR 51 Ca 0.03 0.90 0.29 0.00 -1.18 0.00 0.00 61.69 61.73 1ufn s THR 51 Cb -0.07 -3.49 0.44 0.00 1.34 0.00 0.00 72.50 70.72 1ufn s THR 51 CO -0.00 0.06 1.08 0.52 -0.54 0.00 0.00 174.62 175.74 1ufn n VAL 52 N -0.08 -0.08 -0.09 2.29 0.31 -1.25 0.14 118.33 119.58 1ufn n VAL 52 Ca 0.05 1.13 -0.19 0.00 -0.01 0.00 0.00 64.34 65.32 1ufn n VAL 52 Cb 0.47 -1.87 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 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 0.01 0.03 5.55 1.63 -1.88 -3.37 116.57 118.54 1ufn h LYS 53 Ca 0.63 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.44 1ufn h LYS 53 Cb 2.33 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.92 1ufn h LYS 53 CO -0.15 1.01 -0.50 0.93 -3.45 0.00 0.00 179.45 177.28 1ufn h GLU 54 N -0.98 -0.63 -0.83 1.90 4.39 0.97 -1.31 114.58 118.10 1ufn h GLU 54 Ca -0.22 0.04 0.27 0.00 0.34 0.00 0.00 59.36 59.79 1ufn h GLU 54 Cb 1.21 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.85 1ufn h GLU 54 CO -0.13 -0.42 0.17 0.34 -1.16 0.00 0.00 179.01 177.81 1ufn n PHE 55 N -5.27 0.68 0.19 4.33 7.35 -0.37 0.81 117.46 125.19 1ufn n PHE 55 Ca -0.07 0.99 -0.15 0.00 -0.76 0.00 0.00 57.45 57.46 1ufn n PHE 55 Cb 0.38 -1.21 -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 -0.37 -0.99 -2.13 3.38 -1.40 -2.77 115.31 111.03 1ufn h LEU 56 Ca 0.57 -0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.76 1ufn h LEU 56 Cb 1.32 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 42.04 1ufn h LEU 56 CO -0.73 -0.20 0.56 0.78 0.09 0.00 0.00 178.44 178.94 1ufn h ASN 57 N -0.51 0.60 -0.91 -0.43 2.35 0.75 0.36 115.58 117.80 1ufn h ASN 57 Ca -0.04 0.15 0.12 0.00 -0.55 0.00 0.00 56.30 55.97 1ufn h ASN 57 Cb 0.38 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.73 1ufn h ASN 57 CO 0.07 0.06 0.53 -0.33 -1.65 0.00 0.00 177.43 176.11 1ufn h GLU 58 N 0.52 0.80 0.11 0.81 4.39 -1.08 -2.51 114.58 117.63 1ufn h GLU 58 Ca 0.64 -0.05 -0.31 0.00 0.34 0.00 0.00 59.36 59.98 1ufn h GLU 58 Cb 1.26 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1ufn h GLU 58 CO -0.50 0.53 -1.60 0.78 -1.16 0.00 0.00 179.01 177.06 1ufn h GLY 59 N 0.83 0.27 0.00 -3.84 0.00 -0.45 -3.40 103.07 96.47 1ufn h GLY 59 Ca 0.46 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ufn h GLY 59 CO -0.29 0.60 0.00 0.61 0.00 0.00 0.00 176.54 177.47 1ufn n GLY 60 N 1.70 1.70 0.26 4.60 0.00 0.78 -3.63 105.19 110.59 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 -0.10 1.95 -0.27 1.61 5.12 -0.97 -4.76 116.66 119.25 1ufn n ARG 61 Ca 0.00 -2.45 0.08 0.00 -1.93 0.00 0.00 57.85 53.55 1ufn n ARG 61 Cb 0.00 -1.49 0.21 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.47 1.03 -0.95 7.54 0.00 -1.87 0.19 119.26 125.67 1ufn h ALA 62 Ca 0.00 0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.28 1ufn h ALA 62 Cb 1.00 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 1ufn h ALA 62 CO 0.05 -0.39 0.55 0.00 0.00 0.00 0.00 179.25 179.45 1ufn h THR 63 N 0.22 0.73 -3.41 0.00 1.03 -1.97 -3.42 112.91 106.10 1ufn h THR 63 Ca 0.46 -0.25 -0.57 0.00 -0.01 0.00 0.00 66.41 66.04 1ufn h THR 63 Cb 0.84 -0.06 0.15 0.00 -1.07 0.00 0.00 68.15 68.00 1ufn h THR 63 CO -0.59 0.13 0.21 -0.24 -0.01 0.00 0.00 175.52 175.02 1ufn n SER 64 N -4.79 1.27 -0.11 0.00 2.88 0.67 -4.95 113.62 108.58 1ufn n SER 64 Ca 0.21 0.94 -0.24 0.00 -1.33 0.00 0.00 58.87 58.45 1ufn n SER 64 Cb 0.50 -1.40 -0.11 0.00 -0.75 0.00 0.00 64.21 62.45 1ufn n SER 64 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ufn n LYS 65 N -0.43 0.63 -2.81 -1.46 4.01 -1.26 -4.87 118.16 111.97 1ufn n LYS 65 Ca 0.11 0.26 -0.43 0.00 -0.51 0.00 0.00 58.31 57.74 1ufn n LYS 65 Cb 0.43 -1.56 -0.04 0.00 -0.51 0.00 0.00 35.03 33.35 1ufn n LYS 65 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ufn s ASP 66 N -7.02 6.64 0.19 4.39 1.11 -1.26 -4.91 116.67 115.82 1ufn s ASP 66 Ca -0.34 0.49 0.08 0.00 0.18 0.00 0.00 52.55 52.96 1ufn s ASP 66 Cb 0.11 -2.46 0.07 0.00 1.07 0.00 0.00 42.92 41.71 1ufn s ASP 66 CO 0.57 -0.89 1.44 4.11 1.18 0.00 0.00 175.17 181.59 1ufn h TRP 67 N 8.59 0.01 0.00 4.23 5.08 -1.90 -3.00 115.95 128.96 1ufn h TRP 67 Ca -0.23 -0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.68 1ufn h TRP 67 Cb 1.08 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 1ufn h TRP 67 CO 0.84 0.82 -0.21 0.87 -1.28 0.00 0.00 178.44 179.48 1ufn h LYS 68 N 0.00 0.00 0.12 0.12 1.57 -1.91 -0.21 116.57 116.27 1ufn h LYS 68 Ca -0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1ufn h LYS 68 Cb 1.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.75 1ufn h LYS 68 CO 0.11 0.21 -1.02 0.78 -0.57 0.00 0.00 179.45 178.95 1ufn h GLY 69 N 1.09 0.28 0.85 3.86 0.00 -1.95 -2.92 103.07 104.28 1ufn h GLY 69 Ca -0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1ufn h GLY 69 CO 0.03 0.62 -0.15 -0.39 0.00 0.00 0.00 176.54 176.65 1ufn h VAL 70 N -0.42 1.31 -3.00 4.60 -1.51 -1.45 -3.43 116.25 112.35 1ufn h VAL 70 Ca -0.21 -1.27 -0.56 0.00 -1.23 0.00 0.00 66.70 63.43 1ufn h VAL 70 Cb 1.63 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 32.39 1ufn h VAL 70 CO 0.09 0.39 0.80 -0.63 -1.23 0.00 0.00 177.57 176.99 1ufn s ILE 71 N -4.49 4.26 -0.07 7.19 1.01 -0.10 -4.71 121.20 124.31 1ufn s ILE 71 Ca -0.13 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1ufn s ILE 71 Cb 0.07 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1ufn s ILE 71 CO 0.78 -0.07 -0.05 -0.13 0.00 0.00 0.00 174.94 175.47 1ufn s ARG 72 N 2.84 2.80 -0.28 2.79 0.52 -0.64 -3.11 118.95 123.87 1ufn s ARG 72 Ca 0.55 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 1ufn s ARG 72 Cb -0.23 -2.64 0.07 0.00 0.52 0.00 0.00 34.95 32.66 1ufn s ARG 72 CO 0.18 0.67 -0.06 0.00 0.02 0.00 0.00 175.30 176.12 1ufn n ASN 74 N 4.45 -5.44 0.00 0.00 3.02 -1.26 -1.35 115.26 114.68 1ufn n ASN 74 Ca -0.11 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1ufn n ASN 74 Cb 0.42 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 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 -1.19 1.60 3.27 7.41 0.00 -1.26 -5.02 105.19 110.00 1ufn n GLY 75 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.46 3.23 0.49 1.61 8.01 -0.45 -5.06 118.70 126.07 1ufn s GLU 76 Ca 0.00 -0.73 -0.23 0.00 0.01 0.00 0.00 54.97 54.02 1ufn s GLU 76 Cb 0.00 -2.68 -0.08 0.00 -4.31 0.00 0.00 34.13 27.06 1ufn s GLU 76 CO 0.00 -0.02 1.19 0.25 0.01 0.00 0.00 175.26 176.68 1ufn n THR 77 N 4.18 3.06 -0.26 3.63 -2.24 -1.26 0.14 114.28 121.53 1ufn n THR 77 Ca -0.19 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.14 1ufn n THR 77 Cb 0.51 -1.44 0.16 0.00 -2.10 0.00 0.00 70.33 67.47 1ufn n THR 77 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ufn h LEU 78 N 1.52 -0.36 -0.86 3.22 3.38 -1.45 0.28 115.31 121.04 1ufn h LEU 78 Ca -0.48 0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.82 1ufn h LEU 78 Cb 1.32 0.35 -0.09 0.00 0.09 0.00 0.00 40.66 42.33 1ufn h LEU 78 CO 0.57 -0.19 0.47 -0.09 0.09 0.00 0.00 178.44 179.30 1ufn h ARG 79 N 0.10 0.69 -0.42 1.13 2.43 -1.89 -1.14 114.38 115.28 1ufn h ARG 79 Ca 0.42 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 1ufn h ARG 79 Cb 0.73 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1ufn h ARG 79 CO -0.68 0.46 0.23 1.25 -1.51 0.00 0.00 179.97 179.73 1ufn h HIS 80 N 0.71 0.58 -0.67 2.20 2.76 -0.79 -2.45 115.15 117.50 1ufn h HIS 80 Ca 0.45 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.64 1ufn h HIS 80 Cb 0.56 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1ufn h HIS 80 CO -0.07 0.44 0.42 -0.07 -1.30 0.00 0.00 177.93 177.35 1ufn h LEU 81 N 0.55 0.69 -0.64 0.26 3.38 -0.64 -2.37 115.31 116.53 1ufn h LEU 81 Ca 0.15 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ufn h LEU 81 Cb 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1ufn h LEU 81 CO -0.02 0.48 0.38 -0.08 0.09 0.00 0.00 178.44 179.28 1ufn h GLU 82 N 0.82 0.70 -0.81 1.13 4.22 -1.02 -0.16 114.58 119.46 1ufn h GLU 82 Ca 0.27 -0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.75 1ufn h GLU 82 Cb 0.01 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1ufn h GLU 82 CO -0.10 0.47 0.53 1.96 -2.18 0.00 0.00 179.01 179.69 1ufn h GLN 83 N 0.72 0.79 -0.27 1.92 4.20 -0.96 0.25 115.11 121.76 1ufn h GLN 83 Ca 0.27 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1ufn h GLN 83 Cb 0.09 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1ufn h GLN 83 CO -0.14 0.52 0.00 1.63 -0.67 0.00 0.00 178.83 180.18 1ufn n LYS 84 N -4.50 1.44 -2.64 1.46 5.02 -0.66 -4.87 118.16 113.41 1ufn n LYS 84 Ca 0.13 -0.59 -0.19 0.00 -2.02 0.00 0.00 58.31 55.64 1ufn n LYS 84 Cb 0.28 -1.20 0.01 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.67 -0.39 0.10 0.72 0.00 0.89 -4.89 105.19 102.29 1ufn n GLY 85 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.13 1.82 -4.59 0.99 4.77 -0.16 -4.95 117.00 111.76 1ufn n LEU 86 Ca -0.16 -0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.40 1ufn n LEU 86 Cb 0.64 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.30 1ufn n LEU 86 CO 0.34 0.71 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.59 1ufn s LEU 87 N -5.94 3.53 0.13 2.23 2.96 -1.17 -4.91 118.68 115.51 1ufn s LEU 87 Ca -0.22 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1ufn s LEU 87 Cb 0.07 -1.86 -0.08 0.00 0.50 0.00 0.00 46.19 44.82 1ufn s LEU 87 CO 0.61 0.21 1.32 2.19 -1.32 0.00 0.00 176.35 179.36 1ufn h PHE 88 N 6.40 0.60 -6.30 5.38 -0.00 -1.94 -3.38 116.94 117.71 1ufn h PHE 88 Ca -0.37 -0.32 -0.47 0.00 -0.00 0.00 0.00 57.97 56.81 1ufn h PHE 88 Cb 1.18 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 37.04 1ufn h PHE 88 CO 0.56 1.14 -0.82 0.43 -0.00 0.00 0.00 178.31 179.62 1ufn n SER 89 N -3.75 -2.41 -0.03 -0.68 7.64 -1.26 -4.63 113.62 108.50 1ufn n SER 89 Ca -0.06 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1ufn n SER 89 Cb 0.82 -3.69 -0.00 0.00 -1.01 0.00 0.00 64.21 60.33 1ufn n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ufn n GLY 90 N -1.68 -2.77 3.44 0.23 0.00 -1.26 -5.01 105.19 98.14 1ufn n GLY 90 Ca -0.15 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.65 -3.11 -0.11 1.61 -0.04 -1.26 -5.02 135.00 125.42 1ufn n PRO 91 Ca -0.00 -1.72 -0.14 0.00 -0.04 0.00 0.00 63.50 61.60 1ufn n PRO 91 Cb 0.01 -1.61 -0.11 0.00 -0.04 0.00 0.00 33.50 31.75 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 -4.84 1.94 -4.77 3.54 3.41 -1.26 -5.00 113.62 106.64 1ufn n SER 92 Ca 0.15 -0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 1ufn n SER 92 Cb 0.58 -0.08 0.09 0.00 -0.26 0.00 0.00 64.21 64.53 1ufn n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ufn s SER 93 N -5.95 4.54 0.00 4.04 1.04 -1.26 -5.33 113.70 110.78 1ufn s SER 93 Ca -0.26 1.81 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1ufn s SER 93 Cb 0.07 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1ufn s SER 93 CO 0.56 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 173.37