#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r79 h SER 2 N 0.00 0.56 -2.02 1.61 4.64 -2.13 -3.42 113.55 112.79 1r79 h SER 2 Ca 0.00 -0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.66 1r79 h SER 2 Cb 0.00 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1r79 h SER 2 CO 0.00 0.45 1.22 -0.24 -0.87 0.00 0.00 176.83 177.39 1r79 n SER 3 N -4.72 3.49 0.00 4.97 2.88 -1.26 -4.17 113.62 114.81 1r79 n SER 3 Ca 0.01 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1r79 n SER 3 Cb 0.06 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 1r79 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r79 n GLY 4 N 4.82 -1.00 2.51 0.46 0.00 -1.26 -5.13 105.19 105.59 1r79 n GLY 4 Ca 0.25 0.42 -0.39 0.00 0.00 0.00 0.00 46.02 46.29 1r79 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r79 n SER 5 N 0.00 -0.40 -3.32 1.61 7.64 -1.26 -4.93 113.62 112.96 1r79 n SER 5 Ca 0.00 0.83 -0.05 0.00 1.01 0.00 0.00 58.87 60.67 1r79 n SER 5 Cb 0.00 -0.68 0.01 0.00 -1.01 0.00 0.00 64.21 62.54 1r79 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1r79 s SER 6 N -0.31 -0.03 0.00 6.43 1.04 -1.26 -5.18 113.70 114.39 1r79 s SER 6 Ca 0.58 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1r79 s SER 6 Cb -0.82 0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1r79 s SER 6 CO 0.41 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1r79 n GLY 7 N -0.61 2.05 3.33 7.32 0.00 -1.26 -5.15 105.19 110.87 1r79 n GLY 7 Ca -0.05 0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1r79 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r79 s THR 8 N 0.00 2.90 -0.28 2.61 -1.32 -1.26 -5.10 115.64 113.19 1r79 s THR 8 Ca 0.00 -0.71 -0.18 0.00 -1.21 0.00 0.00 61.69 59.59 1r79 s THR 8 Cb 0.00 -2.21 0.11 0.00 -1.51 0.00 0.00 72.50 68.88 1r79 s THR 8 CO 0.00 0.52 0.83 -0.89 -2.21 0.00 0.00 174.62 172.87 1r79 s THR 9 N 0.48 0.00 0.86 5.08 2.01 -1.26 -5.18 115.64 117.64 1r79 s THR 9 Ca -0.10 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 1r79 s THR 9 Cb -0.16 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.55 1r79 s THR 9 CO 0.05 0.00 1.15 0.18 -0.69 0.00 0.00 174.62 175.30 1r79 n LEU 10 N 3.75 0.00 0.09 4.42 4.77 -1.26 -5.02 117.00 123.74 1r79 n LEU 10 Ca -0.18 -1.26 -0.03 0.00 -0.03 0.00 0.00 56.01 54.51 1r79 n LEU 10 Cb 0.58 -0.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1r79 n LEU 10 CO 0.00 -1.37 0.47 0.00 -1.33 0.00 0.00 177.39 175.17 1r79 h ALA 11 N -1.87 -0.99 -2.14 -1.18 0.00 -2.07 -3.49 119.26 107.52 1r79 h ALA 11 Ca -0.37 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 54.79 1r79 h ALA 11 Cb 1.03 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1r79 h ALA 11 CO 0.26 -0.98 0.83 -1.54 0.00 0.00 0.00 179.25 177.82 1r79 s SER 12 N -2.42 -0.00 -0.03 0.00 1.04 -1.26 -5.17 113.70 105.85 1r79 s SER 12 Ca -0.03 -0.29 0.06 0.00 0.48 0.00 0.00 55.95 56.17 1r79 s SER 12 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1r79 s SER 12 CO 0.10 -0.44 -0.22 0.27 0.98 0.00 0.00 173.24 173.93 1r79 s ILE 13 N -2.10 2.43 0.13 -1.02 -5.25 -1.26 -5.12 121.20 109.00 1r79 s ILE 13 Ca 0.26 -0.96 -0.25 0.00 -0.99 0.00 0.00 60.65 58.71 1r79 s ILE 13 Cb -0.00 -1.89 0.07 0.00 2.95 0.00 0.00 42.46 43.59 1r79 s ILE 13 CO 0.00 0.58 0.87 -0.83 -1.79 0.00 0.00 174.94 173.78 1r79 s GLY 14 N -0.62 -0.32 0.32 6.27 0.00 -1.26 -5.18 107.32 106.53 1r79 s GLY 14 Ca 0.10 0.35 0.10 0.00 0.00 0.00 0.00 44.72 45.27 1r79 s GLY 14 CO -0.00 0.10 -0.04 -1.59 0.00 0.00 0.00 173.10 171.57 1r79 s LYS 15 N -3.37 2.01 0.05 2.90 0.00 -1.26 -5.15 119.74 114.91 1r79 s LYS 15 Ca 0.09 -1.73 0.01 0.00 0.00 0.00 0.00 55.97 54.35 1r79 s LYS 15 Cb -0.02 -1.91 -0.03 0.00 0.00 0.00 0.00 37.83 35.88 1r79 s LYS 15 CO -0.02 0.20 -0.06 0.34 0.00 0.00 0.00 175.35 175.81 1r79 s ASP 16 N -3.66 0.76 -1.24 0.03 2.15 -1.26 -5.07 116.67 108.38 1r79 s ASP 16 Ca 0.33 -0.65 -0.08 0.00 0.43 0.00 0.00 52.55 52.58 1r79 s ASP 16 Cb -0.02 0.07 0.19 0.00 -0.30 0.00 0.00 42.92 42.87 1r79 s ASP 16 CO 0.18 -0.30 1.86 -0.38 -0.17 0.00 0.00 175.17 176.36 1r79 n ILE 17 N 1.13 4.66 -1.70 4.11 5.41 -1.26 -5.00 119.36 126.71 1r79 n ILE 17 Ca -0.21 -4.71 -0.42 0.00 1.00 0.00 0.00 62.75 58.41 1r79 n ILE 17 Cb 0.56 -2.26 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 1r79 n ILE 17 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1r79 n ILE 18 N 2.71 0.20 -0.88 1.39 -5.35 -1.26 -4.93 119.36 111.24 1r79 n ILE 18 Ca 0.40 -0.04 -0.35 0.00 -0.27 0.00 0.00 62.75 62.49 1r79 n ILE 18 Cb 0.34 -2.06 0.09 0.00 -1.74 0.00 0.00 39.64 36.27 1r79 n ILE 18 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1r79 n GLU 19 N 4.89 -0.44 -0.46 6.28 1.02 -1.26 -4.93 120.64 125.74 1r79 n GLU 19 Ca 0.17 -0.12 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 1r79 n GLU 19 Cb 0.36 -1.34 0.28 0.00 -0.02 0.00 0.00 31.44 30.72 1r79 n GLU 19 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1r79 s ASP 20 N -1.41 -0.54 -0.13 1.62 2.15 -1.26 -4.99 116.67 112.11 1r79 s ASP 20 Ca 0.46 0.97 -0.16 0.00 0.43 0.00 0.00 52.55 54.24 1r79 s ASP 20 Cb -0.09 -1.41 -0.25 0.00 -0.30 0.00 0.00 42.92 40.87 1r79 s ASP 20 CO 0.71 -5.06 0.46 0.00 -0.17 0.00 0.00 175.17 171.11 1r79 h ALA 21 N -3.21 0.23 -3.41 3.66 0.00 -2.04 -3.47 119.26 111.02 1r79 h ALA 21 Ca -0.47 -1.14 -0.38 0.00 0.00 0.00 0.00 54.91 52.92 1r79 h ALA 21 Cb 1.34 0.55 -0.36 0.00 0.00 0.00 0.00 17.79 19.32 1r79 h ALA 21 CO 0.33 0.83 -0.75 0.34 0.00 0.00 0.00 179.25 180.00 1r79 s ASP 22 N -6.95 0.84 -0.18 0.00 -1.08 -1.26 -5.00 116.67 103.05 1r79 s ASP 22 Ca -0.22 -0.04 -0.09 0.00 -0.52 0.00 0.00 52.55 51.68 1r79 s ASP 22 Cb 0.05 -0.29 0.04 0.00 -1.46 0.00 0.00 42.92 41.26 1r79 s ASP 22 CO 0.72 -0.14 0.18 0.61 0.52 0.00 0.00 175.17 177.07 1r79 n GLY 23 N 4.51 -4.36 3.77 2.66 0.00 -1.26 -4.95 105.19 105.56 1r79 n GLY 23 Ca -0.19 1.39 -0.39 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.72 4.74 -0.40 -0.61 1.09 -1.26 -4.94 121.20 119.10 1r79 s ILE 24 Ca -0.21 1.43 -0.24 0.00 -1.10 0.00 0.00 60.65 60.53 1r79 s ILE 24 Cb 0.01 -4.01 0.02 0.00 -1.06 0.00 0.00 42.46 37.42 1r79 s ILE 24 CO 0.68 0.44 0.82 0.00 -0.10 0.00 0.00 174.94 176.77 1r79 s ALA 25 N -0.46 3.37 -0.07 9.38 0.00 -1.26 -5.03 121.76 127.69 1r79 s ALA 25 Ca 0.34 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1r79 s ALA 25 Cb -0.20 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1r79 s ALA 25 CO 0.21 -1.68 -0.10 0.00 0.00 0.00 0.00 175.76 174.19 1r79 s MET 26 N 3.27 1.47 1.25 0.00 0.23 -1.26 -5.13 119.30 119.13 1r79 s MET 26 Ca 0.32 -0.32 -0.21 0.00 -1.03 0.00 0.00 55.69 54.45 1r79 s MET 26 Cb -0.12 -1.30 0.31 0.00 -1.53 0.00 0.00 34.83 32.19 1r79 s MET 26 CO 0.20 -0.04 1.11 -0.35 -2.03 0.00 0.00 175.02 173.91 1r79 n PRO 27 N 4.02 -3.18 -3.10 3.16 -0.04 -1.26 -3.97 135.00 130.64 1r79 n PRO 27 Ca -0.22 -1.77 -0.39 0.00 -0.04 0.00 0.00 63.50 61.07 1r79 n PRO 27 Cb 0.51 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.01 3.55 -0.96 0.54 3.76 -1.26 -4.78 115.29 113.13 1r79 s HIS 28 Ca 0.72 1.16 -0.23 0.00 -0.15 0.00 0.00 55.06 56.55 1r79 s HIS 28 Cb -0.07 -2.76 0.05 0.00 1.11 0.00 0.00 32.58 30.91 1r79 s HIS 28 CO 0.55 0.08 1.39 -1.14 -0.85 0.00 0.00 174.74 174.78 1r79 s GLN 29 N 0.87 3.52 0.08 1.40 2.00 -1.26 -4.98 119.66 121.28 1r79 s GLN 29 Ca 0.35 -1.01 -0.30 0.00 -2.00 0.00 0.00 55.36 52.39 1r79 s GLN 29 Cb -0.17 -5.12 -0.06 0.00 0.80 0.00 0.00 33.01 28.46 1r79 s GLN 29 CO 0.16 -2.17 1.19 -1.58 -0.50 0.00 0.00 175.29 172.40 1r79 s TRP 30 N 4.95 3.45 -0.26 1.67 0.23 -1.26 -1.69 118.94 126.02 1r79 s TRP 30 Ca 0.43 1.33 0.02 0.00 -2.03 0.00 0.00 56.10 55.85 1r79 s TRP 30 Cb -0.02 -3.41 0.07 0.00 0.03 0.00 0.00 33.47 30.14 1r79 s TRP 30 CO -0.05 -1.24 -0.04 -1.17 0.96 0.00 0.00 176.95 175.41 1r79 s LEU 31 N 0.84 3.14 -0.39 2.99 0.20 -0.91 -4.92 118.68 119.62 1r79 s LEU 31 Ca 0.58 -1.43 -0.45 0.00 0.69 0.00 0.00 54.13 53.52 1r79 s LEU 31 Cb -0.30 -1.33 -0.19 0.00 -0.43 0.00 0.00 46.19 43.94 1r79 s LEU 31 CO 0.30 -0.26 1.57 1.21 -0.29 0.00 0.00 176.35 178.88 1r79 n GLU 32 N 4.55 0.26 0.00 1.98 2.13 -1.26 -3.54 120.64 124.76 1r79 n GLU 32 Ca -0.09 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1r79 n GLU 32 Cb 0.43 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1r79 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r79 n GLY 33 N 3.75 0.56 2.24 8.31 0.00 0.52 -4.87 105.19 115.69 1r79 n GLY 33 Ca 0.29 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 1r79 n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1r79 n ASN 34 N -1.81 -3.43 -4.75 1.61 2.85 -1.26 -4.33 115.26 104.14 1r79 n ASN 34 Ca 0.00 -0.16 -0.36 0.00 -0.11 0.00 0.00 54.58 53.96 1r79 n ASN 34 Cb 0.00 -2.14 -0.08 0.00 1.24 0.00 0.00 39.78 38.80 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1r79 s LEU 35 N -3.06 3.98 0.97 1.20 2.01 -1.26 -4.92 118.68 117.60 1r79 s LEU 35 Ca 0.17 0.26 -0.12 0.00 0.01 0.00 0.00 54.13 54.44 1r79 s LEU 35 Cb -0.07 -1.96 0.17 0.00 0.01 0.00 0.00 46.19 44.34 1r79 s LEU 35 CO 0.21 0.33 1.09 -2.16 1.01 0.00 0.00 176.35 176.83 1r79 s PRO 36 N -0.57 0.64 0.23 1.29 0.04 -1.26 -4.70 135.00 130.66 1r79 s PRO 36 Ca 0.11 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 1r79 s PRO 36 Cb -0.12 -1.75 0.21 0.00 0.04 0.00 0.00 34.50 32.87 1r79 s PRO 36 CO 0.02 -2.61 1.86 -0.24 0.04 0.00 0.00 177.00 176.07 1r79 h VAL 37 N -1.81 1.26 -1.00 -0.36 3.04 -1.97 -2.54 116.25 112.87 1r79 h VAL 37 Ca -0.53 -0.62 -0.67 0.00 -1.01 0.00 0.00 66.70 63.87 1r79 h VAL 37 Cb 1.32 0.04 -0.29 0.00 -2.01 0.00 0.00 31.29 30.34 1r79 h VAL 37 CO 0.57 0.29 0.86 -0.24 -1.01 0.00 0.00 177.57 178.03 1r79 n SER 38 N -4.35 7.41 -4.77 3.17 2.88 -1.26 -4.94 113.62 111.76 1r79 n SER 38 Ca 0.09 -3.77 -0.39 0.00 -1.33 0.00 0.00 58.87 53.47 1r79 n SER 38 Cb 0.09 -0.97 -0.00 0.00 -0.75 0.00 0.00 64.21 62.58 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 -3.78 3.21 -0.02 -1.46 0.00 -0.96 -5.00 121.76 113.75 1r79 s ALA 39 Ca 0.64 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1r79 s ALA 39 Cb 0.51 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1r79 s ALA 39 CO -0.00 -0.84 -0.02 0.21 0.00 0.00 0.00 175.76 175.11 1r79 s LYS 40 N -2.32 0.33 0.53 0.00 2.47 -1.26 -2.42 119.74 117.06 1r79 s LYS 40 Ca 0.58 -0.04 -0.20 0.00 -1.56 0.00 0.00 55.97 54.75 1r79 s LYS 40 Cb -0.37 -0.40 -0.06 0.00 -1.46 0.00 0.00 37.83 35.54 1r79 s LYS 40 CO 0.47 -0.03 1.15 0.00 0.16 0.00 0.00 175.35 177.11 1r79 n THR 42 N -1.14 0.00 -0.08 0.00 5.66 -0.01 -2.82 114.28 115.90 1r79 n THR 42 Ca 0.11 -0.30 -0.18 0.00 -3.05 0.00 0.00 64.05 60.63 1r79 n THR 42 Cb 0.50 0.42 -0.12 0.00 -1.55 0.00 0.00 70.33 69.57 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 1.37 0.00 1.08 2.07 -1.93 -3.42 116.25 115.42 1r79 h VAL 43 Ca 0.00 -2.28 -0.26 0.00 0.82 0.00 0.00 66.70 64.98 1r79 h VAL 43 Cb 0.69 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 33.26 1r79 h VAL 43 CO 0.00 0.48 -1.99 0.00 0.02 0.00 0.00 177.57 176.09 1r79 n ASP 45 N -2.80 -2.06 -0.01 0.00 9.92 -1.13 -5.00 116.55 115.47 1r79 n ASP 45 Ca -0.28 -0.30 -0.03 0.00 -0.53 0.00 0.00 54.79 53.66 1r79 n ASP 45 Cb 0.89 -2.72 -0.01 0.00 -0.64 0.00 0.00 41.12 38.64 1r79 n ASP 45 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1r79 n LYS 46 N -2.50 0.17 -3.65 -1.24 4.76 -1.26 -4.89 118.16 109.56 1r79 n LYS 46 Ca -0.14 0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.35 1r79 n LYS 46 Cb 0.58 -0.71 -0.07 0.00 -1.84 0.00 0.00 35.03 32.99 1r79 n LYS 46 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1r79 s THR 47 N -1.94 0.00 0.09 -0.18 -1.32 -1.26 -4.88 115.64 106.15 1r79 s THR 47 Ca -0.09 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.41 1r79 s THR 47 Cb 0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 1r79 s THR 47 CO 0.14 0.00 -0.07 0.00 -2.21 0.00 0.00 174.62 172.48 1r79 n GLY 49 N 0.24 4.51 3.25 0.00 0.00 -1.26 -3.85 105.19 108.08 1r79 n GLY 49 Ca -0.14 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 1r79 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r79 s SER 50 N 0.00 2.09 0.17 1.61 1.04 -1.26 -4.93 113.70 112.43 1r79 s SER 50 Ca 0.00 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1r79 s SER 50 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1r79 s SER 50 CO 0.00 -0.10 0.00 0.52 0.98 0.00 0.00 173.24 174.64 1r79 n VAL 51 N 0.69 0.41 0.24 5.02 0.31 -1.26 -4.90 118.33 118.84 1r79 n VAL 51 Ca -0.17 0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.16 1r79 n VAL 51 Cb 0.56 -0.94 -0.07 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.00 -1.02 -7.54 7.52 3.38 -2.07 -3.42 115.31 112.16 1r79 h LEU 52 Ca 0.00 0.08 -0.43 0.00 0.09 0.00 0.00 57.88 57.62 1r79 h LEU 52 Cb 0.08 0.33 -0.37 0.00 0.09 0.00 0.00 40.66 40.79 1r79 h LEU 52 CO 0.00 -0.51 -0.77 -0.60 0.09 0.00 0.00 178.44 176.65 1r79 s ARG 53 N -5.12 0.67 -0.19 1.13 6.06 -1.26 -5.10 118.95 115.14 1r79 s ARG 53 Ca -0.13 0.05 -0.37 0.00 -2.50 0.00 0.00 55.73 52.78 1r79 s ARG 53 Cb 0.03 -0.94 -0.14 0.00 0.06 0.00 0.00 34.95 33.96 1r79 s ARG 53 CO 0.45 -0.25 1.83 1.47 -2.50 0.00 0.00 175.30 176.29 1r79 n LEU 54 N 4.88 2.93 0.10 -0.88 -0.00 -1.26 -4.77 117.00 118.00 1r79 n LEU 54 Ca -0.12 1.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.91 1r79 n LEU 54 Cb 0.50 -1.26 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1r79 n LEU 54 CO 0.14 -0.24 0.00 0.00 -0.00 0.00 0.00 177.39 177.29 1r79 n GLN 55 N 6.10 0.00 -1.05 1.47 10.64 -1.26 -4.56 117.38 128.72 1r79 n GLN 55 Ca 0.25 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 55.06 1r79 n GLN 55 Cb 0.21 -0.10 -0.01 0.00 -0.86 0.00 0.00 30.24 29.48 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1r79 n ASP 56 N -3.30 -1.49 -4.59 2.61 8.00 -1.26 -3.15 116.55 113.38 1r79 n ASP 56 Ca 0.00 0.78 -0.29 0.00 0.71 0.00 0.00 54.79 55.98 1r79 n ASP 56 Cb 0.00 -0.72 -0.10 0.00 -0.02 0.00 0.00 41.12 40.29 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 -0.99 2.75 -0.13 1.24 0.52 -1.15 0.20 118.94 121.37 1r79 s TRP 57 Ca 0.48 -0.15 -0.12 0.00 0.02 0.00 0.00 56.10 56.32 1r79 s TRP 57 Cb -0.63 -1.43 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1r79 s TRP 57 CO 0.46 0.44 0.35 -0.98 0.02 0.00 0.00 176.95 177.24 1r79 s ARG 58 N -2.30 0.43 0.40 4.98 1.70 -1.23 -1.50 118.95 121.42 1r79 s ARG 58 Ca 0.22 0.46 -0.26 0.00 -0.47 0.00 0.00 55.73 55.69 1r79 s ARG 58 Cb -0.11 0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 34.39 1r79 s ARG 58 CO 0.14 -0.06 1.25 0.00 -1.08 0.00 0.00 175.30 175.56 1r79 n LEU 60 N 0.12 1.28 0.01 0.00 7.94 -0.68 -2.78 117.00 122.89 1r79 n LEU 60 Ca 0.04 -0.41 -0.01 0.00 -1.11 0.00 0.00 56.01 54.52 1r79 n LEU 60 Cb 0.45 -0.02 -0.00 0.00 0.53 0.00 0.00 43.42 44.37 1r79 n LEU 60 CO 0.54 0.22 -0.06 0.79 -1.11 0.00 0.00 177.39 177.77 1r79 n TRP 61 N -0.07 0.00 0.64 1.96 8.01 -1.26 -4.73 117.44 121.99 1r79 n TRP 61 Ca 0.18 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.41 1r79 n TRP 61 Cb 0.33 -0.04 0.14 0.00 -2.01 0.00 0.00 31.31 29.73 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 0.26 -0.87 -3.33 0.00 2.85 -1.12 -4.83 118.16 111.13 1r79 n LYS 63 Ca 0.10 -0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.92 1r79 n LYS 63 Cb 0.45 -1.83 -0.08 0.00 -0.65 0.00 0.00 35.03 32.92 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1r79 s ALA 64 N -3.89 3.48 -0.03 0.58 0.00 -1.26 -4.76 121.76 115.89 1r79 s ALA 64 Ca 0.07 -1.84 -0.26 0.00 0.00 0.00 0.00 51.96 49.93 1r79 s ALA 64 Cb -0.04 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1r79 s ALA 64 CO 0.58 -1.73 0.79 -1.64 0.00 0.00 0.00 175.76 173.76 1r79 s MET 65 N 1.99 4.49 0.02 0.00 -1.94 -1.26 -1.99 119.30 120.60 1r79 s MET 65 Ca 0.09 1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 55.03 1r79 s MET 65 Cb -0.21 -3.44 0.01 0.00 2.01 0.00 0.00 34.83 33.20 1r79 s MET 65 CO 0.10 0.07 0.22 0.14 -0.01 0.00 0.00 175.02 175.54 1r79 s VAL 66 N 0.72 0.09 0.18 -6.03 -7.23 -0.57 -0.83 120.40 106.74 1r79 s VAL 66 Ca 0.42 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.56 1r79 s VAL 66 Cb -0.19 -0.75 -0.08 0.00 0.56 0.00 0.00 36.38 35.92 1r79 s VAL 66 CO 0.22 -0.40 1.02 -1.00 -0.31 0.00 0.00 175.10 174.63 1r79 s HIS 67 N -2.05 3.75 0.27 2.82 3.76 -1.26 -2.94 115.29 119.65 1r79 s HIS 67 Ca -0.09 1.75 0.14 0.00 -0.15 0.00 0.00 55.06 56.71 1r79 s HIS 67 Cb -0.03 -3.14 0.96 0.00 1.11 0.00 0.00 32.58 31.48 1r79 s HIS 67 CO -0.01 -0.10 1.16 2.41 -0.85 0.00 0.00 174.74 177.35 1r79 n THR 68 N 2.16 -0.31 -0.04 1.30 -1.04 -1.26 0.89 114.28 115.98 1r79 n THR 68 Ca 0.01 1.50 -0.12 0.00 -2.04 0.00 0.00 64.05 63.40 1r79 n THR 68 Cb 0.47 -2.42 -0.10 0.00 -1.82 0.00 0.00 70.33 66.45 1r79 n THR 68 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r79 h SER 69 N 0.00 -0.03 -0.89 8.00 0.02 -2.02 -3.31 113.55 115.32 1r79 h SER 69 Ca 0.61 -0.70 0.15 0.00 -0.84 0.00 0.00 61.79 61.01 1r79 h SER 69 Cb 1.60 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 64.06 1r79 h SER 69 CO -0.58 0.74 0.49 0.00 -1.14 0.00 0.00 176.83 176.34 1r79 n LYS 71 N -4.82 -0.25 -0.24 0.00 4.81 0.83 0.13 118.16 118.62 1r79 n LYS 71 Ca 0.18 1.23 0.04 0.00 -0.87 0.00 0.00 58.31 58.89 1r79 n LYS 71 Cb 0.44 -1.82 0.16 0.00 0.02 0.00 0.00 35.03 33.83 1r79 n LYS 71 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1r79 h GLU 72 N 0.00 0.18 -0.28 1.64 4.39 -1.61 -0.59 114.58 118.31 1r79 h GLU 72 Ca 0.22 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1r79 h GLU 72 Cb 0.42 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1r79 h GLU 72 CO -0.78 0.12 0.18 0.77 -1.16 0.00 0.00 179.01 178.14 1r79 h SER 73 N 0.19 0.33 -1.12 1.42 0.02 0.92 -3.43 113.55 111.87 1r79 h SER 73 Ca 0.39 -0.03 -0.78 0.00 -0.84 0.00 0.00 61.79 60.53 1r79 h SER 73 Cb 0.67 -0.08 0.05 0.00 0.14 0.00 0.00 62.40 63.18 1r79 h SER 73 CO -0.55 0.26 0.20 -0.11 -1.14 0.00 0.00 176.83 175.49 1r79 n LEU 74 N -4.88 0.42 -0.01 5.07 7.94 -0.23 -4.86 117.00 120.46 1r79 n LEU 74 Ca -0.02 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 56.03 1r79 n LEU 74 Cb 0.04 -0.97 -0.01 0.00 0.53 0.00 0.00 43.42 43.01 1r79 n LEU 74 CO 0.34 -1.64 -0.55 0.00 -1.11 0.00 0.00 177.39 174.43 1r79 n LEU 75 N 1.97 1.60 -4.44 -1.96 -0.00 -1.26 -5.00 117.00 107.91 1r79 n LEU 75 Ca 0.21 -0.01 -0.44 0.00 -0.00 0.00 0.00 56.01 55.78 1r79 n LEU 75 Cb 0.09 -0.02 -0.01 0.00 -0.00 0.00 0.00 43.42 43.48 1r79 n LEU 75 CO 0.64 0.30 0.04 0.35 -0.00 0.00 0.00 177.39 178.73 1r79 n THR 76 N -2.32 1.67 -2.71 1.47 -2.24 -1.26 -4.96 114.28 103.92 1r79 n THR 76 Ca -0.03 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 1r79 n THR 76 Cb 0.54 -0.40 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1r79 n THR 76 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1r79 s LYS 77 N -1.35 2.73 0.59 -0.78 3.01 -1.26 -5.01 119.74 117.68 1r79 s LYS 77 Ca 0.62 -0.58 0.01 0.00 -1.01 0.00 0.00 55.97 55.02 1r79 s LYS 77 Cb -0.70 -2.47 0.06 0.00 -1.01 0.00 0.00 37.83 33.71 1r79 s LYS 77 CO 0.59 -0.59 0.83 0.00 0.51 0.00 0.00 175.35 176.68 1r79 n SER 79 N -2.45 3.03 0.00 0.00 2.88 -1.26 -4.79 113.62 111.02 1r79 n SER 79 Ca 0.10 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1r79 n SER 79 Cb 0.60 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r79 n GLY 80 N 3.24 3.35 0.00 0.46 0.00 -1.26 -4.84 105.19 106.14 1r79 n GLY 80 Ca -0.05 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.20 1r79 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r79 n PRO 81 N -1.73 0.49 0.05 1.61 -0.04 -1.26 -3.44 135.00 130.68 1r79 n PRO 81 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1r79 n PRO 81 Cb 0.00 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 1r79 n PRO 81 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1r79 h SER 82 N 0.00 -0.20 -0.47 3.54 0.02 -1.90 -3.44 113.55 111.10 1r79 h SER 82 Ca 0.00 -0.13 -0.61 0.00 -0.84 0.00 0.00 61.79 60.21 1r79 h SER 82 Cb 0.00 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1r79 h SER 82 CO 0.00 0.32 1.54 -0.24 -1.14 0.00 0.00 176.83 177.31 1r79 n SER 83 N -4.92 1.12 -0.07 3.07 2.88 -1.22 -5.18 113.62 109.29 1r79 n SER 83 Ca -0.05 0.29 0.01 0.00 -1.33 0.00 0.00 58.87 57.79 1r79 n SER 83 Cb 0.16 -1.08 0.01 0.00 -0.75 0.00 0.00 64.21 62.55 1r79 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42