#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 -0.16 -0.21 1.61 0.15 -1.26 -5.19 113.70 108.64 1r79 s SER 2 Ca 0.00 0.11 -0.32 0.00 0.70 0.00 0.00 55.95 56.44 1r79 s SER 2 Cb 0.00 0.15 0.15 0.00 -1.71 0.00 0.00 66.02 64.61 1r79 s SER 2 CO 0.00 -0.19 1.21 -0.94 1.20 0.00 0.00 173.24 174.52 1r79 s SER 3 N -1.51 -0.15 0.00 5.45 1.04 -1.26 -5.18 113.70 112.09 1r79 s SER 3 Ca 0.06 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1r79 s SER 3 Cb -0.01 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1r79 s SER 3 CO -0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1r79 n GLY 4 N 0.29 4.06 3.76 7.32 0.00 -1.26 -5.16 105.19 114.21 1r79 n GLY 4 Ca -0.02 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1r79 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r79 s SER 5 N 0.00 4.14 -0.07 1.61 1.04 -1.26 -5.15 113.70 114.01 1r79 s SER 5 Ca 0.00 -1.60 0.05 0.00 0.48 0.00 0.00 55.95 54.88 1r79 s SER 5 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1r79 s SER 5 CO 0.00 -0.83 -0.25 -0.94 0.98 0.00 0.00 173.24 172.20 1r79 s SER 6 N -3.89 3.06 0.05 7.02 1.04 -1.26 -5.13 113.70 114.59 1r79 s SER 6 Ca 0.10 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 1r79 s SER 6 Cb 0.02 -1.05 -0.03 0.00 0.10 0.00 0.00 66.02 65.06 1r79 s SER 6 CO 0.05 0.21 -0.00 -0.83 0.98 0.00 0.00 173.24 173.65 1r79 s GLY 7 N 0.03 0.38 -0.27 7.32 0.00 -1.26 -5.14 107.32 108.39 1r79 s GLY 7 Ca -0.09 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.62 1r79 s GLY 7 CO 0.06 -1.13 0.00 -1.08 0.00 0.00 0.00 173.10 170.95 1r79 s THR 8 N -3.46 1.44 -0.30 0.90 -1.32 -1.26 -5.07 115.64 106.57 1r79 s THR 8 Ca 0.03 -1.40 -0.02 0.00 -1.21 0.00 0.00 61.69 59.08 1r79 s THR 8 Cb 0.04 -1.86 0.18 0.00 -1.51 0.00 0.00 72.50 69.35 1r79 s THR 8 CO -0.08 -0.32 0.63 -0.89 -2.21 0.00 0.00 174.62 171.74 1r79 s THR 9 N 1.39 -0.97 -0.10 5.08 2.01 -1.26 -5.07 115.64 116.73 1r79 s THR 9 Ca 0.01 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1r79 s THR 9 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1r79 s THR 9 CO -0.11 0.00 -0.20 -0.11 -0.69 0.00 0.00 174.62 173.51 1r79 n LEU 10 N 5.43 1.18 -3.62 4.42 -0.00 -1.26 -5.09 117.00 118.05 1r79 n LEU 10 Ca -0.02 0.20 -0.09 0.00 -0.00 0.00 0.00 56.01 56.09 1r79 n LEU 10 Cb 0.51 -0.61 -0.07 0.00 -0.00 0.00 0.00 43.42 43.25 1r79 n LEU 10 CO 0.02 -0.38 0.76 0.00 -0.00 0.00 0.00 177.39 177.79 1r79 s ALA 11 N -2.87 -1.97 -0.06 1.96 0.00 -1.26 -5.18 121.76 112.38 1r79 s ALA 11 Ca -0.17 1.80 -0.30 0.00 0.00 0.00 0.00 51.96 53.30 1r79 s ALA 11 Cb 0.02 -1.28 0.07 0.00 0.00 0.00 0.00 23.12 21.93 1r79 s ALA 11 CO 0.25 -0.25 0.67 -1.12 0.00 0.00 0.00 175.76 175.31 1r79 s SER 12 N -0.09 -0.65 0.40 0.00 0.01 -1.26 -5.16 113.70 106.96 1r79 s SER 12 Ca 0.02 0.74 -0.23 0.00 1.31 0.00 0.00 55.95 57.79 1r79 s SER 12 Cb -0.04 0.58 -0.10 0.00 0.21 0.00 0.00 66.02 66.67 1r79 s SER 12 CO -0.05 -0.58 0.98 -0.63 0.41 0.00 0.00 173.24 173.37 1r79 s ILE 13 N -1.10 4.13 0.30 1.44 -1.09 -1.26 -4.94 121.20 118.69 1r79 s ILE 13 Ca -0.10 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1r79 s ILE 13 Cb -0.00 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1r79 s ILE 13 CO 0.09 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 1r79 n GLY 14 N -0.08 -0.86 3.91 6.18 0.00 -1.26 -5.13 105.19 107.95 1r79 n GLY 14 Ca 0.06 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 3.35 -0.30 1.61 -0.14 -1.26 -5.09 119.74 115.91 1r79 s LYS 15 Ca 0.00 0.15 -0.06 0.00 -1.36 0.00 0.00 55.97 54.70 1r79 s LYS 15 Cb 0.00 -2.34 0.18 0.00 -1.68 0.00 0.00 37.83 34.00 1r79 s LYS 15 CO 0.00 -0.37 0.81 0.34 -0.76 0.00 0.00 175.35 175.37 1r79 s ASP 16 N -4.17 -0.97 -0.40 2.83 2.15 -1.26 -5.11 116.67 109.74 1r79 s ASP 16 Ca 0.50 0.56 -0.36 0.00 0.43 0.00 0.00 52.55 53.67 1r79 s ASP 16 Cb -0.10 1.80 -0.15 0.00 -0.30 0.00 0.00 42.92 44.16 1r79 s ASP 16 CO 0.45 -0.18 1.54 -0.38 -0.17 0.00 0.00 175.17 176.43 1r79 n ILE 17 N 5.43 0.00 -1.81 4.11 2.08 -1.26 -4.78 119.36 123.13 1r79 n ILE 17 Ca -0.03 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.87 1r79 n ILE 17 Cb 0.53 -0.40 -0.02 0.00 -0.75 0.00 0.00 39.64 39.00 1r79 n ILE 17 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1r79 s ILE 18 N 3.89 2.15 -0.20 1.39 -0.00 -1.26 -4.99 121.20 122.19 1r79 s ILE 18 Ca 0.91 0.13 -0.30 0.00 -0.00 0.00 0.00 60.65 61.38 1r79 s ILE 18 Cb -1.19 -3.08 0.15 0.00 -0.00 0.00 0.00 42.46 38.33 1r79 s ILE 18 CO 0.57 0.02 1.13 -0.70 -0.00 0.00 0.00 174.94 175.96 1r79 s GLU 19 N -0.31 0.40 -0.03 0.37 2.12 -1.26 -5.16 118.70 114.82 1r79 s GLU 19 Ca 0.64 0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.91 1r79 s GLU 19 Cb -0.47 0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.06 1r79 s GLU 19 CO 0.46 -0.13 0.31 -0.51 -0.54 0.00 0.00 175.26 174.84 1r79 s ASP 20 N -1.26 6.63 0.05 -1.70 1.11 -1.26 -5.02 116.67 115.22 1r79 s ASP 20 Ca 0.03 0.75 -0.13 0.00 0.18 0.00 0.00 52.55 53.39 1r79 s ASP 20 Cb -0.01 -2.17 -0.05 0.00 1.07 0.00 0.00 42.92 41.77 1r79 s ASP 20 CO -0.03 0.34 1.21 0.00 1.18 0.00 0.00 175.17 177.87 1r79 h ALA 21 N 4.66 -0.53 -3.93 5.23 0.00 -2.02 -3.42 119.26 119.25 1r79 h ALA 21 Ca -0.52 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.78 1r79 h ALA 21 Cb 1.22 0.82 -0.31 0.00 0.00 0.00 0.00 17.79 19.52 1r79 h ALA 21 CO 0.61 -0.62 -0.85 0.16 0.00 0.00 0.00 179.25 178.55 1r79 s ASP 22 N -3.55 2.42 -0.31 0.00 1.47 -1.26 -4.93 116.67 110.51 1r79 s ASP 22 Ca -0.06 -0.40 -0.01 0.00 1.18 0.00 0.00 52.55 53.26 1r79 s ASP 22 Cb 0.03 -0.67 0.00 0.00 -0.34 0.00 0.00 42.92 41.94 1r79 s ASP 22 CO 0.24 0.18 0.05 0.61 0.68 0.00 0.00 175.17 176.93 1r79 n GLY 23 N 3.09 -4.02 3.62 2.12 0.00 -1.26 -4.88 105.19 103.86 1r79 n GLY 23 Ca -0.18 0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.92 1r79 n GLY 23 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r79 n ILE 24 N 0.59 2.03 -1.04 -0.61 2.08 -1.26 -4.79 119.36 116.36 1r79 n ILE 24 Ca 0.01 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.50 1r79 n ILE 24 Cb 0.04 -1.18 -0.03 0.00 -0.75 0.00 0.00 39.64 37.72 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r79 n ALA 25 N 0.20 4.82 -2.61 -1.39 0.00 -1.26 -4.88 120.51 115.38 1r79 n ALA 25 Ca 0.08 -2.78 -0.39 0.00 0.00 0.00 0.00 53.44 50.34 1r79 n ALA 25 Cb 0.34 -3.29 -0.08 0.00 0.00 0.00 0.00 19.45 16.41 1r79 n ALA 25 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1r79 s MET 26 N 3.65 4.05 1.09 0.00 -1.94 -1.26 -5.08 119.30 119.81 1r79 s MET 26 Ca 0.50 0.14 -0.18 0.00 -1.71 0.00 0.00 55.69 54.43 1r79 s MET 26 Cb 0.13 -3.64 0.27 0.00 2.01 0.00 0.00 34.83 33.60 1r79 s MET 26 CO -0.00 -0.28 0.97 -0.35 -0.01 0.00 0.00 175.02 175.35 1r79 n PRO 27 N 5.32 -2.91 -3.15 2.03 -0.04 -1.26 -3.75 135.00 131.22 1r79 n PRO 27 Ca -0.07 -1.55 -0.40 0.00 -0.04 0.00 0.00 63.50 61.44 1r79 n PRO 27 Cb 0.50 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.76 3.36 -0.96 0.54 3.76 -1.26 -4.71 115.29 113.26 1r79 s HIS 28 Ca 0.63 0.87 -0.23 0.00 -0.15 0.00 0.00 55.06 56.17 1r79 s HIS 28 Cb -0.06 -2.77 0.05 0.00 1.11 0.00 0.00 32.58 30.92 1r79 s HIS 28 CO 0.48 -0.17 1.38 -1.14 -0.85 0.00 0.00 174.74 174.44 1r79 s GLN 29 N 1.91 3.51 0.15 1.40 2.00 -1.26 -4.99 119.66 122.38 1r79 s GLN 29 Ca 0.27 -1.03 -0.30 0.00 -2.00 0.00 0.00 55.36 52.30 1r79 s GLN 29 Cb -0.16 -5.10 -0.07 0.00 0.80 0.00 0.00 33.01 28.48 1r79 s GLN 29 CO 0.10 -2.15 1.06 -1.58 -0.50 0.00 0.00 175.29 172.22 1r79 s TRP 30 N 4.88 3.65 -0.21 1.67 0.23 -1.26 -1.83 118.94 126.07 1r79 s TRP 30 Ca 0.43 1.64 0.01 0.00 -2.03 0.00 0.00 56.10 56.15 1r79 s TRP 30 Cb -0.02 -3.21 0.05 0.00 0.03 0.00 0.00 33.47 30.31 1r79 s TRP 30 CO -0.05 -0.39 -0.09 -1.17 0.96 0.00 0.00 176.95 176.21 1r79 s LEU 31 N -0.12 2.42 0.22 2.99 2.96 -0.92 -4.93 118.68 121.30 1r79 s LEU 31 Ca 0.49 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 53.11 1r79 s LEU 31 Cb -0.27 -1.22 -0.16 0.00 0.50 0.00 0.00 46.19 45.03 1r79 s LEU 31 CO 0.33 -0.18 0.74 1.21 -1.32 0.00 0.00 176.35 177.13 1r79 n GLU 32 N 4.67 0.52 0.00 1.98 2.13 -1.26 -3.15 120.64 125.53 1r79 n GLU 32 Ca -0.14 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1r79 n GLU 32 Cb 0.45 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 1.72 1.99 2.91 8.31 0.00 0.29 -4.90 105.19 115.52 1r79 n GLY 33 Ca 0.15 -0.32 -0.13 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 -0.68 -3.03 -4.22 1.61 4.13 -1.26 -4.33 115.26 107.48 1r79 n ASN 34 Ca 0.00 -0.51 -0.29 0.00 1.68 0.00 0.00 54.58 55.46 1r79 n ASN 34 Cb 0.00 -4.18 -0.16 0.00 -1.54 0.00 0.00 39.78 33.90 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 -5.30 2.02 1.08 3.41 2.01 -1.26 -4.85 118.68 115.79 1r79 s LEU 35 Ca 0.10 -0.44 -0.15 0.00 0.01 0.00 0.00 54.13 53.65 1r79 s LEU 35 Cb -0.01 -1.20 0.23 0.00 0.01 0.00 0.00 46.19 45.22 1r79 s LEU 35 CO 0.58 0.23 1.10 -2.16 1.01 0.00 0.00 176.35 177.11 1r79 s PRO 36 N -0.21 -0.27 0.49 1.29 0.04 -1.26 -4.94 135.00 130.14 1r79 s PRO 36 Ca -0.00 0.27 0.28 0.00 0.04 0.00 0.00 61.00 61.59 1r79 s PRO 36 Cb -0.12 -1.68 0.98 0.00 0.04 0.00 0.00 34.50 33.72 1r79 s PRO 36 CO 0.02 -3.15 1.84 -0.39 0.04 0.00 0.00 177.00 175.36 1r79 h VAL 37 N -2.18 0.17 -0.39 -0.36 -1.51 -1.97 -3.07 116.25 106.94 1r79 h VAL 37 Ca -0.51 -0.84 -0.25 0.00 -1.23 0.00 0.00 66.70 63.86 1r79 h VAL 37 Cb 1.32 1.72 -0.17 0.00 -2.13 0.00 0.00 31.29 32.03 1r79 h VAL 37 CO 0.49 0.07 -0.33 -1.20 -1.23 0.00 0.00 177.57 175.37 1r79 n SER 38 N -3.17 3.18 -4.75 4.19 7.64 -1.26 -5.02 113.62 114.43 1r79 n SER 38 Ca 0.01 -3.82 -0.31 0.00 1.01 0.00 0.00 58.87 55.77 1r79 n SER 38 Cb 0.40 -0.55 0.10 0.00 -1.01 0.00 0.00 64.21 63.15 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r79 s ALA 39 N -3.38 2.05 -0.11 -0.43 0.00 -1.16 -4.96 121.76 113.78 1r79 s ALA 39 Ca 0.46 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 1r79 s ALA 39 Cb 0.40 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 20.31 1r79 s ALA 39 CO -0.01 -1.93 0.36 0.21 0.00 0.00 0.00 175.76 174.39 1r79 s LYS 40 N -4.92 0.49 0.70 0.00 2.47 -1.26 -2.08 119.74 115.15 1r79 s LYS 40 Ca 0.62 0.35 -0.11 0.00 -1.56 0.00 0.00 55.97 55.27 1r79 s LYS 40 Cb -0.17 0.23 0.02 0.00 -1.46 0.00 0.00 37.83 36.45 1r79 s LYS 40 CO 0.56 -0.09 1.07 0.00 0.16 0.00 0.00 175.35 177.06 1r79 n THR 42 N -3.13 0.00 0.07 0.00 5.66 -0.51 -3.16 114.28 113.21 1r79 n THR 42 Ca 0.08 -0.22 -0.20 0.00 -3.05 0.00 0.00 64.05 60.66 1r79 n THR 42 Cb 0.53 0.54 -0.15 0.00 -1.55 0.00 0.00 70.33 69.71 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 1.03 0.00 1.08 2.07 -1.94 -3.40 116.25 115.09 1r79 h VAL 43 Ca 0.00 -2.64 -0.00 0.00 0.82 0.00 0.00 66.70 64.88 1r79 h VAL 43 Cb 0.28 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1r79 h VAL 43 CO 0.00 0.83 -1.07 0.00 0.02 0.00 0.00 177.57 177.35 1r79 n ASP 45 N -1.60 -2.60 -4.22 0.00 9.92 -1.19 -5.03 116.55 111.83 1r79 n ASP 45 Ca -0.00 -0.36 -0.19 0.00 -0.53 0.00 0.00 54.79 53.71 1r79 n ASP 45 Cb 0.09 -3.10 -0.12 0.00 -0.64 0.00 0.00 41.12 37.35 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1r79 s LYS 46 N -4.54 0.95 -0.40 -1.24 1.02 -1.26 -4.83 119.74 109.44 1r79 s LYS 46 Ca 0.06 -1.10 -0.37 0.00 0.02 0.00 0.00 55.97 54.57 1r79 s LYS 46 Cb -0.01 -0.96 -0.16 0.00 -0.52 0.00 0.00 37.83 36.19 1r79 s LYS 46 CO 0.41 0.20 1.28 0.25 -0.92 0.00 0.00 175.35 176.57 1r79 n THR 47 N 0.96 0.00 -4.35 2.17 -2.24 -1.26 -1.82 114.28 107.73 1r79 n THR 47 Ca -0.19 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 1r79 n THR 47 Cb 0.55 -0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.93 0.23 3.26 0.00 0.00 -1.26 -3.68 105.19 104.66 1r79 n GLY 49 Ca -0.15 -0.62 -0.57 0.00 0.00 0.00 0.00 46.02 44.68 1r79 n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r79 n SER 50 N 0.00 0.51 0.04 1.61 7.64 -1.26 -4.88 113.62 117.27 1r79 n SER 50 Ca 0.00 1.06 -0.03 0.00 1.01 0.00 0.00 58.87 60.91 1r79 n SER 50 Cb 0.00 -0.81 -0.01 0.00 -1.01 0.00 0.00 64.21 62.37 1r79 n SER 50 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1r79 h VAL 51 N 3.55 0.00 -0.71 0.44 2.07 -2.01 -3.33 116.25 116.26 1r79 h VAL 51 Ca -0.43 -0.72 0.23 0.00 0.82 0.00 0.00 66.70 66.60 1r79 h VAL 51 Cb 1.26 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.90 1r79 h VAL 51 CO 0.73 0.00 0.12 0.18 0.02 0.00 0.00 177.57 178.62 1r79 n LEU 52 N -4.51 0.02 -3.64 2.57 4.77 -1.26 -4.53 117.00 110.41 1r79 n LEU 52 Ca -0.02 1.20 -0.06 0.00 -0.03 0.00 0.00 56.01 57.09 1r79 n LEU 52 Cb 0.07 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1r79 n LEU 52 CO 0.06 -1.25 0.94 0.00 -1.33 0.00 0.00 177.39 175.81 1r79 s ARG 53 N -5.46 0.30 -0.29 3.23 1.04 -1.25 -5.11 118.95 111.42 1r79 s ARG 53 Ca -0.08 0.30 -0.28 0.00 -1.04 0.00 0.00 55.73 54.63 1r79 s ARG 53 Cb 0.22 0.15 -0.05 0.00 -2.04 0.00 0.00 34.95 33.23 1r79 s ARG 53 CO 0.55 -0.05 2.18 -0.51 -0.04 0.00 0.00 175.30 177.44 1r79 s LEU 54 N -0.08 3.44 0.00 -1.89 1.43 -1.25 -4.60 118.68 115.72 1r79 s LEU 54 Ca 0.05 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 1r79 s LEU 54 Cb -0.04 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1r79 s LEU 54 CO -0.09 -2.09 0.00 0.00 0.23 0.00 0.00 176.35 174.40 1r79 n GLN 55 N 8.77 0.88 -0.98 1.70 10.64 -1.26 -3.96 117.38 133.16 1r79 n GLN 55 Ca 0.30 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 55.11 1r79 n GLN 55 Cb 0.47 -0.87 0.05 0.00 -0.86 0.00 0.00 30.24 29.03 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 -2.04 -5.40 -4.05 2.61 8.00 -1.26 -3.29 116.55 111.11 1r79 n ASP 56 Ca 0.00 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 1r79 n ASP 56 Cb 0.37 -0.77 -0.17 0.00 -0.02 0.00 0.00 41.12 40.53 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 -2.03 1.98 -0.03 1.24 0.52 -1.03 0.11 118.94 119.69 1r79 s TRP 57 Ca 0.41 -0.95 0.06 0.00 0.02 0.00 0.00 56.10 55.64 1r79 s TRP 57 Cb -0.15 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1r79 s TRP 57 CO 0.80 -0.50 -0.22 -0.98 0.02 0.00 0.00 176.95 176.07 1r79 s ARG 58 N 1.05 1.98 0.54 4.98 1.70 -1.19 -1.13 118.95 126.87 1r79 s ARG 58 Ca -0.05 -0.78 -0.21 0.00 -0.47 0.00 0.00 55.73 54.22 1r79 s ARG 58 Cb -0.15 -1.80 -0.05 0.00 -0.57 0.00 0.00 34.95 32.38 1r79 s ARG 58 CO -0.03 0.40 1.25 0.00 -1.08 0.00 0.00 175.30 175.85 1r79 n LEU 60 N -1.07 0.80 0.00 0.00 7.94 -0.76 -3.25 117.00 120.66 1r79 n LEU 60 Ca 0.11 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 1r79 n LEU 60 Cb 0.48 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.28 1r79 n LEU 60 CO 0.48 0.18 0.00 0.79 -1.11 0.00 0.00 177.39 177.74 1r79 n TRP 61 N -1.31 0.00 0.54 1.96 8.01 -1.26 -4.67 117.44 120.70 1r79 n TRP 61 Ca 0.06 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.34 1r79 n TRP 61 Cb 0.34 0.00 0.37 0.00 -2.01 0.00 0.00 31.31 30.02 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 -1.64 -5.63 -3.67 0.00 5.02 -1.20 -4.97 118.16 106.08 1r79 n LYS 63 Ca 0.04 0.71 -0.39 0.00 -2.02 0.00 0.00 58.31 56.65 1r79 n LYS 63 Cb 0.20 -5.46 -0.12 0.00 -0.02 0.00 0.00 35.03 29.64 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r79 s ALA 64 N -3.54 3.21 -0.12 7.82 0.00 -1.26 -4.79 121.76 123.10 1r79 s ALA 64 Ca 0.03 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 1r79 s ALA 64 Cb -0.02 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1r79 s ALA 64 CO 0.78 -1.02 0.60 -1.64 0.00 0.00 0.00 175.76 174.48 1r79 s MET 65 N 1.56 4.35 0.02 0.00 -1.94 -1.26 -1.43 119.30 120.60 1r79 s MET 65 Ca 0.03 0.66 0.01 0.00 -1.71 0.00 0.00 55.69 54.68 1r79 s MET 65 Cb -0.18 -3.47 -0.02 0.00 2.01 0.00 0.00 34.83 33.17 1r79 s MET 65 CO 0.05 0.03 -0.04 0.14 -0.01 0.00 0.00 175.02 175.19 1r79 s VAL 66 N 0.98 0.23 0.33 -6.03 -7.23 -0.29 -1.43 120.40 106.97 1r79 s VAL 66 Ca 0.31 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 59.38 1r79 s VAL 66 Cb -0.16 -0.33 -0.09 0.00 0.56 0.00 0.00 36.38 36.35 1r79 s VAL 66 CO 0.13 -0.39 1.16 -1.00 -0.31 0.00 0.00 175.10 174.69 1r79 s HIS 67 N -1.23 3.30 0.23 2.82 3.76 -1.26 -2.46 115.29 120.45 1r79 s HIS 67 Ca -0.12 1.60 -0.02 0.00 -0.15 0.00 0.00 55.06 56.37 1r79 s HIS 67 Cb -0.09 -3.38 0.49 0.00 1.11 0.00 0.00 32.58 30.71 1r79 s HIS 67 CO -0.00 -1.04 1.19 0.25 -0.85 0.00 0.00 174.74 174.28 1r79 n THR 68 N 0.69 -0.32 0.08 1.30 -2.24 -1.26 -0.06 114.28 112.47 1r79 n THR 68 Ca 0.01 1.70 -0.11 0.00 -2.27 0.00 0.00 64.05 63.39 1r79 n THR 68 Cb 0.45 -2.44 -0.07 0.00 -2.10 0.00 0.00 70.33 66.17 1r79 n THR 68 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1r79 h SER 69 N 0.00 -0.22 -0.74 3.42 0.02 -2.01 -3.29 113.55 110.72 1r79 h SER 69 Ca 0.42 -0.30 0.16 0.00 -0.84 0.00 0.00 61.79 61.23 1r79 h SER 69 Cb 0.79 0.06 -0.13 0.00 0.14 0.00 0.00 62.40 63.26 1r79 h SER 69 CO -0.74 0.29 -0.07 0.00 -1.14 0.00 0.00 176.83 175.17 1r79 n LYS 71 N -5.40 -0.08 -0.27 0.00 4.81 0.92 0.24 118.16 118.37 1r79 n LYS 71 Ca 0.12 1.14 0.04 0.00 -0.87 0.00 0.00 58.31 58.74 1r79 n LYS 71 Cb 0.43 -1.70 0.18 0.00 0.02 0.00 0.00 35.03 33.96 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 0.63 -0.22 1.64 4.39 -1.26 -1.93 114.58 117.83 1r79 h GLU 72 Ca 0.34 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1r79 h GLU 72 Cb 0.52 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1r79 h GLU 72 CO -0.75 0.42 0.12 0.77 -1.16 0.00 0.00 179.01 178.41 1r79 h SER 73 N 0.65 0.27 -1.50 1.42 0.02 0.31 -3.43 113.55 111.29 1r79 h SER 73 Ca 0.40 -0.08 -0.71 0.00 -0.84 0.00 0.00 61.79 60.56 1r79 h SER 73 Cb 0.47 -0.07 0.05 0.00 0.14 0.00 0.00 62.40 62.99 1r79 h SER 73 CO -0.30 0.27 0.41 -0.11 -1.14 0.00 0.00 176.83 175.97 1r79 n LEU 74 N -4.88 1.33 0.00 5.07 7.94 -0.73 -4.86 117.00 120.88 1r79 n LEU 74 Ca -0.03 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1r79 n LEU 74 Cb 0.07 -1.12 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1r79 n LEU 74 CO 0.34 -1.18 -0.47 0.00 -1.11 0.00 0.00 177.39 174.97 1r79 n LEU 75 N 2.57 1.67 -4.12 -1.96 -0.00 -1.26 -4.99 117.00 108.91 1r79 n LEU 75 Ca 0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.85 1r79 n LEU 75 Cb 0.15 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.62 1r79 n LEU 75 CO 0.64 0.28 -0.98 0.35 -0.00 0.00 0.00 177.39 177.68 1r79 n THR 76 N -2.23 0.11 -2.97 1.47 -2.24 -1.26 -4.98 114.28 102.18 1r79 n THR 76 Ca 0.00 -0.45 -0.19 0.00 -2.27 0.00 0.00 64.05 61.13 1r79 n THR 76 Cb 0.47 -0.13 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.11 2.42 0.41 -0.78 -0.14 -1.26 -4.99 119.74 113.29 1r79 s LYS 77 Ca 0.46 -1.43 0.08 0.00 -1.36 0.00 0.00 55.97 53.72 1r79 s LYS 77 Cb -0.24 -2.65 -0.01 0.00 -1.68 0.00 0.00 37.83 33.25 1r79 s LYS 77 CO 0.77 -0.73 0.47 0.00 -0.76 0.00 0.00 175.35 175.10 1r79 n SER 79 N -1.69 1.94 0.00 0.00 7.64 -1.26 -4.75 113.62 115.50 1r79 n SER 79 Ca 0.05 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1r79 n SER 79 Cb 0.60 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r79 n GLY 80 N 2.31 4.06 3.75 0.23 0.00 -1.26 -4.88 105.19 109.40 1r79 n GLY 80 Ca -0.31 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.95 4.44 -0.50 1.61 0.04 -1.26 -4.50 135.00 131.88 1r79 s PRO 81 Ca 0.00 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1r79 s PRO 81 Cb 0.00 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.46 1r79 s PRO 81 CO 0.00 -0.12 0.55 -1.12 0.04 0.00 0.00 177.00 176.36 1r79 s SER 82 N -0.26 6.19 -0.10 6.66 0.01 -1.26 -5.01 113.70 119.93 1r79 s SER 82 Ca 0.51 -1.12 -0.28 0.00 1.31 0.00 0.00 55.95 56.37 1r79 s SER 82 Cb -0.37 -2.25 0.07 0.00 0.21 0.00 0.00 66.02 63.68 1r79 s SER 82 CO 0.44 -0.83 0.65 -0.55 0.41 0.00 0.00 173.24 173.37 1r79 s SER 83 N 2.77 -0.64 0.00 2.44 0.15 -1.26 -5.18 113.70 111.99 1r79 s SER 83 Ca 0.11 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.62 1r79 s SER 83 Cb -0.22 0.75 0.14 0.00 -1.71 0.00 0.00 66.02 64.98 1r79 s SER 83 CO 0.09 -0.50 0.63 0.61 1.20 0.00 0.00 173.24 175.27