#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r79 s SER 2 N 0.00 5.23 0.10 1.61 1.04 -1.26 -5.07 113.70 115.36 1r79 s SER 2 Ca 0.00 1.56 -0.26 0.00 0.48 0.00 0.00 55.95 57.73 1r79 s SER 2 Cb 0.00 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 63.80 1r79 s SER 2 CO 0.00 -1.53 1.10 -0.55 0.98 0.00 0.00 173.24 173.24 1r79 s SER 3 N -3.82 -0.07 0.00 7.02 0.15 -1.26 -5.19 113.70 110.53 1r79 s SER 3 Ca 0.58 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1r79 s SER 3 Cb -0.14 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1r79 s SER 3 CO 0.55 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1r79 n GLY 4 N -0.59 1.33 3.33 9.45 0.00 -1.26 -5.19 105.19 112.25 1r79 n GLY 4 Ca -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1r79 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 s SER 5 N -0.56 -0.30 0.15 1.61 0.01 -1.26 -5.18 113.70 108.18 1r79 s SER 5 Ca 0.00 0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.08 1r79 s SER 5 Cb 0.00 0.42 0.07 0.00 0.21 0.00 0.00 66.02 66.71 1r79 s SER 5 CO 0.00 -0.63 0.98 -0.94 0.41 0.00 0.00 173.24 173.06 1r79 s SER 6 N -1.84 -0.15 0.14 2.44 1.04 -1.26 -5.19 113.70 108.88 1r79 s SER 6 Ca -0.07 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 1r79 s SER 6 Cb -0.01 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1r79 s SER 6 CO -0.00 -0.90 0.25 -0.83 0.98 0.00 0.00 173.24 172.73 1r79 s GLY 7 N -3.00 0.36 -0.02 7.32 0.00 -1.26 -5.17 107.32 105.56 1r79 s GLY 7 Ca 0.13 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.06 1r79 s GLY 7 CO 0.03 -0.83 -0.04 -0.51 0.00 0.00 0.00 173.10 171.75 1r79 s THR 8 N -3.94 0.37 -0.28 0.90 -4.23 -1.26 -5.14 115.64 102.06 1r79 s THR 8 Ca 0.13 -0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 1r79 s THR 8 Cb 0.04 -0.35 0.11 0.00 1.34 0.00 0.00 72.50 73.64 1r79 s THR 8 CO -0.03 0.14 0.84 -0.89 -0.54 0.00 0.00 174.62 174.13 1r79 s THR 9 N 0.30 0.00 0.19 3.99 2.01 -1.26 -5.18 115.64 115.69 1r79 s THR 9 Ca -0.03 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.01 1r79 s THR 9 Cb -0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1r79 s THR 9 CO -0.00 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.08 1r79 n LEU 10 N 3.97 0.00 -3.48 4.42 -0.00 -1.26 -5.19 117.00 115.46 1r79 n LEU 10 Ca -0.19 -1.81 -0.09 0.00 -0.00 0.00 0.00 56.01 53.91 1r79 n LEU 10 Cb 0.58 0.94 -0.02 0.00 -0.00 0.00 0.00 43.42 44.92 1r79 n LEU 10 CO 0.00 -0.30 0.62 0.00 -0.00 0.00 0.00 177.39 177.71 1r79 s ALA 11 N -2.77 -1.77 -0.21 1.47 0.00 -1.26 -5.15 121.76 112.07 1r79 s ALA 11 Ca 0.22 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1r79 s ALA 11 Cb 0.01 0.53 0.05 0.00 0.00 0.00 0.00 23.12 23.72 1r79 s ALA 11 CO 0.16 -0.71 -0.06 -1.54 0.00 0.00 0.00 175.76 173.61 1r79 s SER 12 N -2.55 3.51 0.14 0.00 1.04 -1.26 -5.12 113.70 109.47 1r79 s SER 12 Ca 0.04 -1.00 0.03 0.00 0.48 0.00 0.00 55.95 55.50 1r79 s SER 12 Cb -0.01 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 1r79 s SER 12 CO -0.10 -0.21 -0.07 0.27 0.98 0.00 0.00 173.24 174.10 1r79 s ILE 13 N 1.47 0.96 0.00 -1.02 -5.25 -1.26 -5.16 121.20 110.94 1r79 s ILE 13 Ca -0.03 -2.01 0.00 0.00 -0.99 0.00 0.00 60.65 57.61 1r79 s ILE 13 Cb -0.18 -1.87 0.00 0.00 2.95 0.00 0.00 42.46 43.37 1r79 s ILE 13 CO -0.07 -0.72 0.00 0.61 -1.79 0.00 0.00 174.94 172.97 1r79 n GLY 14 N -0.17 1.81 3.13 6.27 0.00 -1.26 -5.18 105.19 109.79 1r79 n GLY 14 Ca -0.10 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1r79 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r79 s LYS 15 N -0.28 0.73 0.49 1.61 3.01 -1.26 -5.14 119.74 118.90 1r79 s LYS 15 Ca 0.00 -1.24 -0.24 0.00 -1.01 0.00 0.00 55.97 53.48 1r79 s LYS 15 Cb 0.00 -0.06 -0.07 0.00 -1.01 0.00 0.00 37.83 36.69 1r79 s LYS 15 CO 0.00 -0.05 1.40 0.34 0.51 0.00 0.00 175.35 177.55 1r79 s ASP 16 N -2.87 5.61 -0.36 2.83 2.15 -1.26 -4.96 116.67 117.81 1r79 s ASP 16 Ca 0.08 2.86 -0.18 0.00 0.43 0.00 0.00 52.55 55.74 1r79 s ASP 16 Cb 0.05 -2.65 -0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1r79 s ASP 16 CO -0.06 -1.35 0.51 -0.63 -0.17 0.00 0.00 175.17 173.47 1r79 s ILE 17 N -1.24 5.01 -0.08 4.11 1.01 -1.26 -5.06 121.20 123.69 1r79 s ILE 17 Ca 0.65 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 61.53 1r79 s ILE 17 Cb -0.42 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 1r79 s ILE 17 CO 0.53 -0.25 0.14 -0.63 0.00 0.00 0.00 174.94 174.73 1r79 s ILE 18 N 2.40 5.36 -0.09 2.92 1.09 -1.26 -5.03 121.20 126.58 1r79 s ILE 18 Ca 0.18 0.05 -0.15 0.00 -1.10 0.00 0.00 60.65 59.63 1r79 s ILE 18 Cb -0.15 -3.38 -0.12 0.00 -1.06 0.00 0.00 42.46 37.74 1r79 s ILE 18 CO 0.14 0.53 0.49 -0.08 -0.10 0.00 0.00 174.94 175.92 1r79 h GLU 19 N 4.64 -0.09 -5.37 2.79 4.81 -2.04 -3.47 114.58 115.85 1r79 h GLU 19 Ca -0.53 0.01 -0.41 0.00 -0.13 0.00 0.00 59.36 58.29 1r79 h GLU 19 Cb 1.21 0.02 -0.21 0.00 0.63 0.00 0.00 28.75 30.41 1r79 h GLU 19 CO 0.61 0.32 -0.78 0.16 -0.73 0.00 0.00 179.01 178.59 1r79 s ASP 20 N -5.68 1.75 0.00 1.04 1.47 -1.26 -4.85 116.67 109.13 1r79 s ASP 20 Ca -0.09 -0.66 0.00 0.00 1.18 0.00 0.00 52.55 52.98 1r79 s ASP 20 Cb -0.01 -0.05 0.00 0.00 -0.34 0.00 0.00 42.92 42.52 1r79 s ASP 20 CO 0.34 -0.09 0.00 0.00 0.68 0.00 0.00 175.17 176.10 1r79 n ALA 21 N 1.12 1.65 0.08 2.11 0.00 -1.26 -4.99 120.51 119.23 1r79 n ALA 21 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1r79 n ALA 21 Cb 0.55 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1r79 n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r79 n ASP 22 N -1.49 0.34 -2.71 0.00 5.75 -1.26 -5.03 116.55 112.15 1r79 n ASP 22 Ca 0.00 0.25 -0.07 0.00 -0.01 0.00 0.00 54.79 54.96 1r79 n ASP 22 Cb 0.27 0.04 0.09 0.00 -1.03 0.00 0.00 41.12 40.49 1r79 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r79 n GLY 23 N 2.41 -0.03 3.74 6.12 0.00 -1.26 -5.14 105.19 111.04 1r79 n GLY 23 Ca 0.00 0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1r79 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r79 s ILE 24 N 0.27 4.00 -0.32 -0.61 -1.09 -1.26 -5.01 121.20 117.18 1r79 s ILE 24 Ca 0.23 1.73 -0.22 0.00 -2.23 0.00 0.00 60.65 60.17 1r79 s ILE 24 Cb 0.28 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1r79 s ILE 24 CO -0.11 0.30 0.69 0.00 -1.23 0.00 0.00 174.94 174.60 1r79 s ALA 25 N -0.26 3.50 -0.29 9.38 0.00 -1.26 -4.98 121.76 127.85 1r79 s ALA 25 Ca 0.48 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 1r79 s ALA 25 Cb -0.28 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1r79 s ALA 25 CO 0.34 -1.21 1.52 -1.64 0.00 0.00 0.00 175.76 174.76 1r79 s MET 26 N 2.79 3.73 0.92 0.00 -1.94 -1.26 -5.00 119.30 118.53 1r79 s MET 26 Ca 0.28 1.39 -0.15 0.00 -1.71 0.00 0.00 55.69 55.49 1r79 s MET 26 Cb -0.14 -4.01 0.23 0.00 2.01 0.00 0.00 34.83 32.91 1r79 s MET 26 CO 0.13 -1.37 0.82 -0.35 -0.01 0.00 0.00 175.02 174.24 1r79 n PRO 27 N 7.74 -2.61 -3.05 2.03 -0.04 -1.26 -4.12 135.00 133.69 1r79 n PRO 27 Ca 0.18 -1.31 -0.41 0.00 -0.04 0.00 0.00 63.50 61.92 1r79 n PRO 27 Cb 0.46 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.64 1r79 n PRO 27 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1r79 s HIS 28 N -2.48 3.27 -0.94 0.54 3.76 -1.26 -4.77 115.29 113.41 1r79 s HIS 28 Ca 0.53 0.86 -0.24 0.00 -0.15 0.00 0.00 55.06 56.06 1r79 s HIS 28 Cb -0.05 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.69 1r79 s HIS 28 CO 0.41 -0.38 1.74 -1.14 -0.85 0.00 0.00 174.74 174.51 1r79 s GLN 29 N 2.64 2.98 0.15 1.40 2.00 -1.26 -4.96 119.66 122.60 1r79 s GLN 29 Ca 0.28 -0.60 -0.30 0.00 -2.00 0.00 0.00 55.36 52.74 1r79 s GLN 29 Cb -0.15 -5.16 -0.07 0.00 0.80 0.00 0.00 33.01 28.43 1r79 s GLN 29 CO 0.09 -2.88 1.13 -1.58 -0.50 0.00 0.00 175.29 171.55 1r79 s TRP 30 N 7.97 3.54 0.12 1.67 0.23 -1.26 -1.37 118.94 129.83 1r79 s TRP 30 Ca 0.60 1.51 0.10 0.00 -2.03 0.00 0.00 56.10 56.29 1r79 s TRP 30 Cb -0.04 -3.32 -0.04 0.00 0.03 0.00 0.00 33.47 30.10 1r79 s TRP 30 CO -0.04 -0.82 -0.25 -0.51 0.96 0.00 0.00 176.95 176.30 1r79 s LEU 31 N -0.01 2.39 -0.08 2.99 2.01 -1.13 -4.94 118.68 119.92 1r79 s LEU 31 Ca 0.52 -0.69 -0.30 0.00 0.01 0.00 0.00 54.13 53.67 1r79 s LEU 31 Cb -0.30 -1.30 -0.02 0.00 0.01 0.00 0.00 46.19 44.58 1r79 s LEU 31 CO 0.34 0.19 1.15 -0.70 1.01 0.00 0.00 176.35 178.34 1r79 s GLU 32 N -1.99 4.35 4.44 1.70 2.12 -1.26 -3.04 118.70 125.02 1r79 s GLU 32 Ca 0.15 1.59 0.00 0.00 0.36 0.00 0.00 54.97 57.07 1r79 s GLU 32 Cb -0.10 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1r79 s GLU 32 CO 0.06 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 1r79 n GLY 33 N 3.32 2.71 3.12 -1.50 0.00 0.12 -4.89 105.19 108.06 1r79 n GLY 33 Ca 0.11 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1r79 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r79 n ASN 34 N 1.27 -3.71 -4.82 1.61 4.13 -1.26 -4.41 115.26 108.07 1r79 n ASN 34 Ca 0.00 -0.48 -0.36 0.00 1.68 0.00 0.00 54.58 55.41 1r79 n ASN 34 Cb 0.00 -4.30 -0.07 0.00 -1.54 0.00 0.00 39.78 33.87 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1r79 s LEU 35 N -5.90 4.21 1.07 3.41 2.01 -1.26 -4.93 118.68 117.29 1r79 s LEU 35 Ca 0.23 0.37 -0.14 0.00 0.01 0.00 0.00 54.13 54.60 1r79 s LEU 35 Cb -0.10 -2.03 0.22 0.00 0.01 0.00 0.00 46.19 44.30 1r79 s LEU 35 CO 0.60 0.37 1.10 -2.16 1.01 0.00 0.00 176.35 177.27 1r79 s PRO 36 N -0.79 -0.14 0.04 1.29 0.04 -1.26 -4.95 135.00 129.24 1r79 s PRO 36 Ca 0.13 0.33 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 1r79 s PRO 36 Cb -0.12 -1.69 -0.17 0.00 0.04 0.00 0.00 34.50 32.57 1r79 s PRO 36 CO 0.03 -3.07 1.40 0.28 0.04 0.00 0.00 177.00 175.67 1r79 h VAL 37 N -2.13 0.00 -0.40 -0.36 2.07 -1.99 -3.00 116.25 110.45 1r79 h VAL 37 Ca -0.52 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 66.68 1r79 h VAL 37 Cb 1.32 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.98 1r79 h VAL 37 CO 0.51 0.00 0.35 -0.24 0.02 0.00 0.00 177.57 178.21 1r79 n SER 38 N -5.07 6.18 -4.66 0.57 2.88 -1.26 -4.96 113.62 107.30 1r79 n SER 38 Ca -0.14 -2.95 -0.30 0.00 -1.33 0.00 0.00 58.87 54.15 1r79 n SER 38 Cb 0.43 -1.05 0.16 0.00 -0.75 0.00 0.00 64.21 63.00 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r79 s ALA 39 N -1.52 1.27 -0.00 -1.46 0.00 -1.13 -5.01 121.76 113.90 1r79 s ALA 39 Ca 0.26 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 1r79 s ALA 39 Cb 0.20 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 20.03 1r79 s ALA 39 CO -0.00 -2.73 0.54 0.21 0.00 0.00 0.00 175.76 173.78 1r79 s LYS 40 N -4.70 0.98 0.61 0.00 2.47 -1.26 -3.51 119.74 114.32 1r79 s LYS 40 Ca 0.66 -0.04 -0.12 0.00 -1.56 0.00 0.00 55.97 54.91 1r79 s LYS 40 Cb -0.21 0.45 -0.04 0.00 -1.46 0.00 0.00 37.83 36.56 1r79 s LYS 40 CO 0.59 -0.32 1.03 0.00 0.16 0.00 0.00 175.35 176.80 1r79 n THR 42 N -2.62 0.00 0.08 0.00 5.66 0.07 -3.20 114.28 114.27 1r79 n THR 42 Ca 0.06 -0.20 -0.23 0.00 -3.05 0.00 0.00 64.05 60.64 1r79 n THR 42 Cb 0.54 0.35 -0.15 0.00 -1.55 0.00 0.00 70.33 69.52 1r79 n THR 42 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1r79 h VAL 43 N 0.00 1.26 0.00 1.08 2.07 -1.91 -3.39 116.25 115.36 1r79 h VAL 43 Ca 0.00 -2.57 -0.05 0.00 0.82 0.00 0.00 66.70 64.90 1r79 h VAL 43 Cb 0.37 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1r79 h VAL 43 CO 0.00 0.77 -1.42 0.00 0.02 0.00 0.00 177.57 176.94 1r79 n ASP 45 N -1.96 -2.48 -4.30 0.00 8.00 -1.20 -5.04 116.55 109.57 1r79 n ASP 45 Ca -0.05 -0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.02 1r79 n ASP 45 Cb 0.41 -2.50 -0.10 0.00 -0.02 0.00 0.00 41.12 38.91 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1r79 s LYS 46 N -4.83 1.22 0.07 -1.24 1.02 -1.26 -4.84 119.74 109.89 1r79 s LYS 46 Ca 0.06 -1.56 -0.27 0.00 0.02 0.00 0.00 55.97 54.22 1r79 s LYS 46 Cb -0.03 -0.75 -0.14 0.00 -0.52 0.00 0.00 37.83 36.39 1r79 s LYS 46 CO 0.32 0.05 0.63 0.25 -0.92 0.00 0.00 175.35 175.68 1r79 n THR 47 N -0.32 0.70 -3.96 2.17 -2.24 -1.26 -1.79 114.28 107.57 1r79 n THR 47 Ca -0.08 -0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 1r79 n THR 47 Cb 0.62 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 1r79 n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r79 n GLY 49 N 3.93 3.37 3.83 0.00 0.00 -1.26 -4.22 105.19 110.84 1r79 n GLY 49 Ca -0.25 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1r79 n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r79 s SER 50 N 0.00 5.62 -0.20 1.61 0.15 -1.26 -5.02 113.70 114.60 1r79 s SER 50 Ca 0.00 1.57 -0.11 0.00 0.70 0.00 0.00 55.95 58.11 1r79 s SER 50 Cb 0.00 -2.49 -0.08 0.00 -1.71 0.00 0.00 66.02 61.74 1r79 s SER 50 CO 0.00 -1.28 -0.27 0.52 1.20 0.00 0.00 173.24 173.41 1r79 n VAL 51 N -3.00 1.16 0.24 4.45 0.31 -1.26 -4.61 118.33 115.62 1r79 n VAL 51 Ca 0.07 -0.24 -0.16 0.00 -0.01 0.00 0.00 64.34 64.01 1r79 n VAL 51 Cb 0.54 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 1r79 n VAL 51 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1r79 h LEU 52 N -0.74 -0.83 -7.08 7.52 3.38 -2.09 -3.44 115.31 112.03 1r79 h LEU 52 Ca -0.47 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1r79 h LEU 52 Cb 1.38 0.27 -0.24 0.00 0.09 0.00 0.00 40.66 42.16 1r79 h LEU 52 CO -0.28 -0.47 -0.21 0.00 0.09 0.00 0.00 178.44 177.57 1r79 s ARG 53 N -6.03 0.49 -0.26 1.13 3.03 -1.26 -5.12 118.95 110.93 1r79 s ARG 53 Ca -0.17 1.15 -0.41 0.00 2.03 0.00 0.00 55.73 58.33 1r79 s ARG 53 Cb 0.05 0.38 -0.17 0.00 -1.03 0.00 0.00 34.95 34.18 1r79 s ARG 53 CO 0.63 -0.20 1.59 1.28 -1.13 0.00 0.00 175.30 177.48 1r79 n LEU 54 N 4.97 1.77 0.00 -1.89 4.77 -1.26 -4.77 117.00 120.59 1r79 n LEU 54 Ca -0.15 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 1r79 n LEU 54 Cb 0.52 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1r79 n LEU 54 CO 0.00 -0.75 -0.25 0.00 -1.33 0.00 0.00 177.39 175.06 1r79 n GLN 55 N 4.28 0.00 -0.93 3.23 -0.00 -1.26 -4.24 117.38 118.45 1r79 n GLN 55 Ca 0.26 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.95 1r79 n GLN 55 Cb 0.09 -0.61 0.02 0.00 -0.00 0.00 0.00 30.24 29.73 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1r79 n ASP 56 N -2.21 -3.65 -4.36 2.61 8.00 -1.26 -2.93 116.55 112.75 1r79 n ASP 56 Ca 0.00 0.39 -0.32 0.00 0.71 0.00 0.00 54.79 55.56 1r79 n ASP 56 Cb 0.25 -0.66 -0.15 0.00 -0.02 0.00 0.00 41.12 40.55 1r79 n ASP 56 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1r79 s TRP 57 N -1.61 2.65 -0.04 1.24 0.52 -0.99 0.16 118.94 120.86 1r79 s TRP 57 Ca 0.41 -0.55 0.01 0.00 0.02 0.00 0.00 56.10 55.98 1r79 s TRP 57 Cb -0.31 -1.70 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 1r79 s TRP 57 CO 0.58 -0.11 -0.04 -0.98 0.02 0.00 0.00 176.95 176.42 1r79 s ARG 58 N -0.13 0.75 0.78 4.98 1.70 -1.17 -0.18 118.95 125.68 1r79 s ARG 58 Ca -0.03 -0.08 -0.15 0.00 -0.47 0.00 0.00 55.73 55.00 1r79 s ARG 58 Cb -0.14 -0.79 -0.01 0.00 -0.57 0.00 0.00 34.95 33.44 1r79 s ARG 58 CO 0.04 -0.09 0.61 0.00 -1.08 0.00 0.00 175.30 174.77 1r79 n LEU 60 N -0.89 0.43 0.00 0.00 -0.00 -0.47 -3.37 117.00 112.70 1r79 n LEU 60 Ca 0.10 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1r79 n LEU 60 Cb 0.51 0.33 0.00 0.00 -0.00 0.00 0.00 43.42 44.26 1r79 n LEU 60 CO 0.50 0.46 0.00 0.79 -0.00 0.00 0.00 177.39 179.14 1r79 n TRP 61 N -2.89 0.00 0.27 1.96 8.01 -1.26 -4.43 117.44 119.11 1r79 n TRP 61 Ca -0.26 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.09 1r79 n TRP 61 Cb 1.11 -0.26 0.71 0.00 -2.01 0.00 0.00 31.31 30.86 1r79 n TRP 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1r79 n LYS 63 N -3.20 -5.85 -3.51 0.00 4.76 -1.22 -4.98 118.16 104.16 1r79 n LYS 63 Ca -0.00 0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 55.72 1r79 n LYS 63 Cb 0.29 -5.28 -0.10 0.00 -1.84 0.00 0.00 35.03 28.10 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r79 s ALA 64 N -3.28 3.50 0.00 7.82 0.00 -1.26 -4.73 121.76 123.81 1r79 s ALA 64 Ca 0.17 -1.44 -0.25 0.00 0.00 0.00 0.00 51.96 50.43 1r79 s ALA 64 Cb -0.07 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1r79 s ALA 64 CO 0.60 -1.08 0.79 -1.64 0.00 0.00 0.00 175.76 174.43 1r79 s MET 65 N 1.73 4.49 0.02 0.00 -1.94 -1.26 -1.28 119.30 121.06 1r79 s MET 65 Ca 0.06 1.07 -0.08 0.00 -1.71 0.00 0.00 55.69 55.04 1r79 s MET 65 Cb -0.18 -3.41 -0.00 0.00 2.01 0.00 0.00 34.83 33.26 1r79 s MET 65 CO 0.10 0.15 0.15 0.14 -0.01 0.00 0.00 175.02 175.56 1r79 s VAL 66 N 0.40 0.10 0.48 -6.03 -7.23 0.74 -0.75 120.40 108.12 1r79 s VAL 66 Ca 0.41 -0.84 -0.20 0.00 -1.81 0.00 0.00 61.98 59.54 1r79 s VAL 66 Cb -0.20 -0.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.96 1r79 s VAL 66 CO 0.22 -0.47 1.00 -1.00 -0.31 0.00 0.00 175.10 174.55 1r79 s HIS 67 N -2.03 3.16 0.48 2.82 3.76 -1.26 -2.35 115.29 119.87 1r79 s HIS 67 Ca -0.10 1.57 0.31 0.00 -0.15 0.00 0.00 55.06 56.69 1r79 s HIS 67 Cb -0.04 -2.95 1.40 0.00 1.11 0.00 0.00 32.58 32.10 1r79 s HIS 67 CO -0.01 -0.56 1.74 1.79 -0.85 0.00 0.00 174.74 176.85 1r79 h THR 68 N 1.48 0.36 0.06 1.30 1.35 -1.93 0.77 112.91 116.31 1r79 h THR 68 Ca -0.49 -0.05 -0.31 0.00 -0.55 0.00 0.00 66.41 65.01 1r79 h THR 68 Cb 1.20 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1r79 h THR 68 CO 0.60 0.03 -1.71 -1.28 -0.25 0.00 0.00 175.52 172.90 1r79 h SER 69 N 0.14 0.20 0.80 5.36 0.87 -2.03 -3.34 113.55 115.55 1r79 h SER 69 Ca 0.65 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1r79 h SER 69 Cb 2.20 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 64.08 1r79 h SER 69 CO -0.17 1.34 -0.40 0.00 -0.53 0.00 0.00 176.83 177.07 1r79 h LYS 71 N 0.00 -0.42 -0.71 0.00 3.64 0.20 0.09 116.57 119.38 1r79 h LYS 71 Ca -0.00 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1r79 h LYS 71 Cb 0.91 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1r79 h LYS 71 CO 0.05 -0.28 0.48 1.05 -2.27 0.00 0.00 179.45 178.48 1r79 h GLU 72 N -0.43 0.34 -0.64 1.90 -0.00 -1.76 0.02 114.58 114.00 1r79 h GLU 72 Ca -0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.36 59.29 1r79 h GLU 72 Cb 0.44 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 29.09 1r79 h GLU 72 CO -0.18 0.22 0.20 0.77 -0.00 0.00 0.00 179.01 180.03 1r79 h SER 73 N 0.35 0.91 -3.07 3.06 0.02 -1.28 -3.43 113.55 110.11 1r79 h SER 73 Ca 0.34 -0.15 -0.53 0.00 -0.84 0.00 0.00 61.79 60.61 1r79 h SER 73 Cb 0.86 -0.24 0.07 0.00 0.14 0.00 0.00 62.40 63.23 1r79 h SER 73 CO -0.10 0.85 0.94 -0.22 -1.14 0.00 0.00 176.83 177.16 1r79 s LEU 74 N -9.49 4.35 -0.07 5.07 2.96 -0.01 -4.91 118.68 116.59 1r79 s LEU 74 Ca -0.11 2.92 -0.03 0.00 -0.22 0.00 0.00 54.13 56.70 1r79 s LEU 74 Cb 0.16 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 1r79 s LEU 74 CO 0.82 -0.94 -0.09 0.18 -1.32 0.00 0.00 176.35 175.00 1r79 n LEU 75 N 2.88 1.06 -2.82 -0.68 4.77 -1.26 -5.00 117.00 115.95 1r79 n LEU 75 Ca 0.11 0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 1r79 n LEU 75 Cb 0.36 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1r79 n LEU 75 CO 0.64 0.25 -0.40 0.35 -1.33 0.00 0.00 177.39 176.90 1r79 n THR 76 N -3.18 0.08 -2.48 -5.08 -2.24 -1.26 -4.94 114.28 95.17 1r79 n THR 76 Ca -0.14 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.07 1r79 n THR 76 Cb 0.61 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.95 1r79 n THR 76 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1r79 s LYS 77 N -0.66 1.61 0.38 -0.78 2.20 -1.26 -5.01 119.74 116.21 1r79 s LYS 77 Ca 0.38 -0.95 0.08 0.00 -0.36 0.00 0.00 55.97 55.11 1r79 s LYS 77 Cb -0.35 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 1r79 s LYS 77 CO 0.43 -1.53 0.38 0.00 -0.36 0.00 0.00 175.35 174.27 1r79 n SER 79 N -1.52 1.96 0.00 0.00 3.41 -1.26 -4.86 113.62 111.34 1r79 n SER 79 Ca 0.02 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1r79 n SER 79 Cb 0.60 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r79 n GLY 80 N 1.45 3.22 3.71 5.00 0.00 -1.26 -4.97 105.19 112.35 1r79 n GLY 80 Ca -0.51 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 1r79 n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r79 s PRO 81 N -2.36 4.32 -0.48 1.61 0.04 -1.26 -4.52 135.00 132.34 1r79 s PRO 81 Ca 0.00 2.03 -0.42 0.00 0.04 0.00 0.00 61.00 62.65 1r79 s PRO 81 Cb 0.00 -3.34 -0.18 0.00 0.04 0.00 0.00 34.50 31.03 1r79 s PRO 81 CO 0.00 -0.46 2.16 0.43 0.04 0.00 0.00 177.00 179.17 1r79 n SER 82 N 4.29 1.01 -4.94 6.66 7.64 -1.26 -4.91 113.62 122.12 1r79 n SER 82 Ca 0.12 0.62 -0.23 0.00 1.01 0.00 0.00 58.87 60.39 1r79 n SER 82 Cb 0.43 -0.97 0.01 0.00 -1.01 0.00 0.00 64.21 62.67 1r79 n SER 82 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1r79 s SER 83 N 6.32 4.89 0.00 6.43 0.01 -1.26 -5.22 113.70 124.88 1r79 s SER 83 Ca 1.18 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1r79 s SER 83 Cb -1.37 0.13 0.00 0.00 0.21 0.00 0.00 66.02 64.99 1r79 s SER 83 CO 0.62 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.82