#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 6.19 -0.18 1.61 0.15 -1.26 -5.01 113.70 115.19 1r79 s SER 2 Ca 0.00 -1.42 -0.14 0.00 0.70 0.00 0.00 55.95 55.08 1r79 s SER 2 Cb 0.00 -2.26 0.05 0.00 -1.71 0.00 0.00 66.02 62.11 1r79 s SER 2 CO 0.00 -0.93 0.47 -0.44 1.20 0.00 0.00 173.24 173.54 1r79 s SER 3 N 3.29 -0.54 0.09 5.45 0.01 -1.26 -5.17 113.70 115.58 1r79 s SER 3 Ca 0.09 0.98 0.02 0.00 1.31 0.00 0.00 55.95 58.35 1r79 s SER 3 Cb -0.25 0.95 -0.04 0.00 0.21 0.00 0.00 66.02 66.89 1r79 s SER 3 CO 0.06 -0.18 -0.07 -0.83 0.41 0.00 0.00 173.24 172.63 1r79 s GLY 4 N 0.69 0.76 0.48 3.44 0.00 -1.26 -5.17 107.32 106.27 1r79 s GLY 4 Ca -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1r79 s GLY 4 CO -0.05 -1.38 0.01 -1.35 0.00 0.00 0.00 173.10 170.33 1r79 s SER 5 N -2.85 4.00 -0.67 1.64 1.04 -1.26 -5.07 113.70 110.53 1r79 s SER 5 Ca 0.09 -1.59 -0.27 0.00 0.48 0.00 0.00 55.95 54.66 1r79 s SER 5 Cb 0.03 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1r79 s SER 5 CO -0.04 -0.77 1.40 -0.55 0.98 0.00 0.00 173.24 174.26 1r79 s SER 6 N -3.83 6.03 -0.11 7.02 0.15 -1.26 -4.76 113.70 116.94 1r79 s SER 6 Ca 0.13 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 1r79 s SER 6 Cb 0.03 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 1r79 s SER 6 CO 0.07 -1.87 -0.12 0.61 1.20 0.00 0.00 173.24 173.13 1r79 n GLY 7 N 5.38 -0.16 3.50 9.45 0.00 -1.26 -5.02 105.19 117.08 1r79 n GLY 7 Ca 0.08 -0.06 -0.55 0.00 0.00 0.00 0.00 46.02 45.49 1r79 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1r79 n THR 8 N -3.10 0.51 -2.39 2.61 5.66 -1.26 -4.94 114.28 111.37 1r79 n THR 8 Ca -0.20 -0.13 -0.24 0.00 -3.05 0.00 0.00 64.05 60.43 1r79 n THR 8 Cb 0.68 -0.20 0.06 0.00 -1.55 0.00 0.00 70.33 69.32 1r79 n THR 8 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1r79 s THR 9 N -0.17 2.43 -0.71 1.09 -4.23 -1.26 -4.96 115.64 107.83 1r79 s THR 9 Ca 0.83 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.64 1r79 s THR 9 Cb -1.11 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 69.68 1r79 s THR 9 CO 0.55 0.00 2.07 -0.22 -0.54 0.00 0.00 174.62 176.48 1r79 s LEU 10 N -5.05 3.20 0.58 4.79 1.98 -1.26 -4.95 118.68 117.98 1r79 s LEU 10 Ca 0.59 0.10 -0.11 0.00 -2.89 0.00 0.00 54.13 51.82 1r79 s LEU 10 Cb -0.10 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.16 1r79 s LEU 10 CO 0.42 -2.83 0.98 0.00 -1.89 0.00 0.00 176.35 173.03 1r79 s ALA 11 N 10.88 3.15 0.17 5.97 0.00 -1.26 -5.05 121.76 135.62 1r79 s ALA 11 Ca 0.77 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.37 1r79 s ALA 11 Cb -0.12 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1r79 s ALA 11 CO 0.13 -0.57 0.75 -1.12 0.00 0.00 0.00 175.76 174.95 1r79 s SER 12 N -4.02 7.31 0.22 0.00 0.01 -1.26 -5.07 113.70 110.89 1r79 s SER 12 Ca 0.54 1.58 -0.02 0.00 1.31 0.00 0.00 55.95 59.36 1r79 s SER 12 Cb -0.11 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1r79 s SER 12 CO 0.50 0.19 0.19 0.27 0.41 0.00 0.00 173.24 174.79 1r79 s ILE 13 N -1.21 0.00 0.00 1.44 -5.25 -1.26 -5.16 121.20 109.76 1r79 s ILE 13 Ca 0.36 -1.92 0.00 0.00 -0.99 0.00 0.00 60.65 58.10 1r79 s ILE 13 Cb -0.22 -2.47 0.00 0.00 2.95 0.00 0.00 42.46 42.73 1r79 s ILE 13 CO 0.25 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.01 1r79 n GLY 14 N -0.32 3.89 3.60 6.27 0.00 -1.26 -5.08 105.19 112.30 1r79 n GLY 14 Ca 0.02 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.70 4.00 -0.32 1.61 3.01 -1.26 -5.05 119.74 119.03 1r79 s LYS 15 Ca 0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 55.97 54.87 1r79 s LYS 15 Cb 0.00 -3.65 0.08 0.00 -1.01 0.00 0.00 37.83 33.25 1r79 s LYS 15 CO 0.00 -0.22 0.02 -0.51 0.51 0.00 0.00 175.35 175.14 1r79 s ASP 16 N 1.66 4.78 0.15 2.83 1.11 -1.26 -5.08 116.67 120.86 1r79 s ASP 16 Ca 0.12 -1.72 -0.23 0.00 0.18 0.00 0.00 52.55 50.89 1r79 s ASP 16 Cb -0.16 -1.66 -0.14 0.00 1.07 0.00 0.00 42.92 42.04 1r79 s ASP 16 CO 0.10 -0.32 0.45 -0.38 1.18 0.00 0.00 175.17 176.19 1r79 n ILE 17 N 4.44 1.53 -1.60 0.77 -0.00 -1.26 -4.67 119.36 118.57 1r79 n ILE 17 Ca -0.06 -0.38 -0.43 0.00 -0.00 0.00 0.00 62.75 61.87 1r79 n ILE 17 Cb 0.42 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.03 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 0.07 0.39 -3.97 1.39 -5.35 -1.26 -4.91 119.36 105.72 1r79 n ILE 18 Ca 0.15 -0.41 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 1r79 n ILE 18 Cb 0.20 -2.49 -0.03 0.00 -1.74 0.00 0.00 39.64 35.57 1r79 n ILE 18 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1r79 s GLU 19 N 6.09 1.77 0.44 6.28 2.02 -1.26 -5.16 118.70 128.87 1r79 s GLU 19 Ca 1.00 -1.35 0.07 0.00 0.02 0.00 0.00 54.97 54.71 1r79 s GLU 19 Cb -0.38 0.51 0.02 0.00 0.10 0.00 0.00 34.13 34.38 1r79 s GLU 19 CO 0.37 -0.76 0.60 -0.51 0.02 0.00 0.00 175.26 174.98 1r79 s ASP 20 N -3.06 5.59 -0.04 -0.19 1.11 -1.26 -5.05 116.67 113.77 1r79 s ASP 20 Ca 0.21 -0.40 -0.25 0.00 0.18 0.00 0.00 52.55 52.30 1r79 s ASP 20 Cb -0.02 -0.64 -0.21 0.00 1.07 0.00 0.00 42.92 43.12 1r79 s ASP 20 CO 0.11 -0.83 1.13 0.00 1.18 0.00 0.00 175.17 176.76 1r79 h ALA 21 N 0.55 0.04 -2.97 5.23 0.00 -2.02 -3.46 119.26 116.62 1r79 h ALA 21 Ca -0.40 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 53.95 1r79 h ALA 21 Cb 1.28 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.76 1r79 h ALA 21 CO 0.46 -0.07 -0.51 -0.51 0.00 0.00 0.00 179.25 178.61 1r79 s ASP 22 N -6.01 0.01 -0.14 0.00 1.11 -1.26 -5.01 116.67 105.37 1r79 s ASP 22 Ca -0.16 0.53 -0.04 0.00 0.18 0.00 0.00 52.55 53.07 1r79 s ASP 22 Cb 0.01 0.50 0.00 0.00 1.07 0.00 0.00 42.92 44.51 1r79 s ASP 22 CO 0.71 -0.20 0.14 0.61 1.18 0.00 0.00 175.17 177.61 1r79 n GLY 23 N 4.68 -1.83 3.65 0.21 0.00 -1.26 -4.94 105.19 105.69 1r79 n GLY 23 Ca -0.18 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.17 2.01 -2.77 -0.61 2.08 -1.26 -4.88 119.36 113.75 1r79 n ILE 24 Ca 0.03 -0.50 -0.43 0.00 0.56 0.00 0.00 62.75 62.41 1r79 n ILE 24 Cb 0.11 -1.31 -0.03 0.00 -0.75 0.00 0.00 39.64 37.67 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r79 s ALA 25 N -1.08 3.08 -0.24 -1.39 0.00 -1.26 -4.96 121.76 115.91 1r79 s ALA 25 Ca 0.57 -2.45 0.01 0.00 0.00 0.00 0.00 51.96 50.09 1r79 s ALA 25 Cb -0.63 -4.22 0.06 0.00 0.00 0.00 0.00 23.12 18.33 1r79 s ALA 25 CO 0.61 -3.21 -0.05 -1.64 0.00 0.00 0.00 175.76 171.47 1r79 s MET 26 N 3.76 1.59 0.09 0.00 -1.94 -1.26 -5.13 119.30 116.42 1r79 s MET 26 Ca 0.37 -1.00 -0.02 0.00 -1.71 0.00 0.00 55.69 53.34 1r79 s MET 26 Cb -0.04 -2.58 0.02 0.00 2.01 0.00 0.00 34.83 34.24 1r79 s MET 26 CO -0.07 -0.61 0.08 -0.35 -0.01 0.00 0.00 175.02 174.06 1r79 n PRO 27 N 4.67 -1.18 -3.56 2.03 -0.04 -1.26 -3.88 135.00 131.78 1r79 n PRO 27 Ca -0.12 -0.13 -0.41 0.00 -0.04 0.00 0.00 63.50 62.81 1r79 n PRO 27 Cb 0.44 -0.12 -0.11 0.00 -0.04 0.00 0.00 33.50 33.67 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 -1.14 3.24 -0.97 0.54 3.76 -1.26 -4.62 115.29 114.84 1r79 s HIS 28 Ca 0.05 -0.83 -0.24 0.00 -0.15 0.00 0.00 55.06 53.89 1r79 s HIS 28 Cb -0.01 -2.48 -0.00 0.00 1.11 0.00 0.00 32.58 31.21 1r79 s HIS 28 CO 0.04 -0.62 1.72 -1.14 -0.85 0.00 0.00 174.74 173.89 1r79 s GLN 29 N 1.59 3.04 0.19 1.40 2.00 -1.26 -4.96 119.66 121.66 1r79 s GLN 29 Ca 0.03 -0.71 -0.30 0.00 -2.00 0.00 0.00 55.36 52.38 1r79 s GLN 29 Cb -0.19 -5.21 -0.08 0.00 0.80 0.00 0.00 33.01 28.33 1r79 s GLN 29 CO 0.08 -2.85 1.06 -1.58 -0.50 0.00 0.00 175.29 171.50 1r79 s TRP 30 N 7.73 3.67 -0.28 1.67 0.52 -1.26 -2.55 118.94 128.44 1r79 s TRP 30 Ca 0.59 1.68 0.01 0.00 0.02 0.00 0.00 56.10 58.40 1r79 s TRP 30 Cb -0.03 -3.21 0.06 0.00 -1.15 0.00 0.00 33.47 29.13 1r79 s TRP 30 CO -0.04 -0.36 -0.05 -1.17 0.02 0.00 0.00 176.95 175.34 1r79 s LEU 31 N -0.60 3.71 0.07 2.99 0.20 -0.35 -4.90 118.68 119.79 1r79 s LEU 31 Ca 0.47 -1.37 -0.37 0.00 0.69 0.00 0.00 54.13 53.55 1r79 s LEU 31 Cb -0.29 -1.63 -0.19 0.00 -0.43 0.00 0.00 46.19 43.66 1r79 s LEU 31 CO 0.35 -0.23 0.99 1.21 -0.29 0.00 0.00 176.35 178.38 1r79 n GLU 32 N 4.51 0.21 0.00 1.98 2.13 -1.26 -2.95 120.64 125.26 1r79 n GLU 32 Ca -0.13 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1r79 n GLU 32 Cb 0.43 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.65 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 1.74 1.95 2.87 8.31 0.00 0.45 -4.90 105.19 115.61 1r79 n GLY 33 Ca 0.19 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.72 -2.79 -4.47 1.61 4.13 -1.26 -4.31 115.26 107.44 1r79 n ASN 34 Ca 0.00 -0.49 -0.33 0.00 1.68 0.00 0.00 54.58 55.43 1r79 n ASN 34 Cb 0.00 -4.09 -0.13 0.00 -1.54 0.00 0.00 39.78 34.02 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 -5.26 3.07 0.74 3.41 2.01 -1.26 -4.88 118.68 116.51 1r79 s LEU 35 Ca 0.08 -0.18 -0.12 0.00 0.01 0.00 0.00 54.13 53.92 1r79 s LEU 35 Cb -0.01 -1.72 0.04 0.00 0.01 0.00 0.00 46.19 44.51 1r79 s LEU 35 CO 0.57 0.19 1.10 -2.16 1.01 0.00 0.00 176.35 177.06 1r79 s PRO 36 N 0.21 2.42 0.48 1.29 0.04 -1.26 -4.87 135.00 133.31 1r79 s PRO 36 Ca -0.04 1.24 0.18 0.00 0.04 0.00 0.00 61.00 62.41 1r79 s PRO 36 Cb -0.14 -1.91 1.19 0.00 0.04 0.00 0.00 34.50 33.67 1r79 s PRO 36 CO 0.04 -1.53 2.02 -0.39 0.04 0.00 0.00 177.00 177.18 1r79 h VAL 37 N -0.78 0.87 -0.81 -0.36 -1.51 -1.97 -1.23 116.25 110.47 1r79 h VAL 37 Ca -0.44 -0.07 -0.55 0.00 -1.23 0.00 0.00 66.70 64.40 1r79 h VAL 37 Cb 1.24 0.65 -0.32 0.00 -2.13 0.00 0.00 31.29 30.72 1r79 h VAL 37 CO 0.52 0.04 0.04 -1.54 -1.23 0.00 0.00 177.57 175.40 1r79 n SER 38 N -4.45 5.71 -4.77 4.19 3.41 -1.26 -4.94 113.62 111.50 1r79 n SER 38 Ca 0.07 -3.77 -0.32 0.00 -0.26 0.00 0.00 58.87 54.59 1r79 n SER 38 Cb 0.38 -0.67 0.07 0.00 -0.26 0.00 0.00 64.21 63.73 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r79 s ALA 39 N -3.64 2.39 -0.08 7.33 0.00 -0.47 -4.97 121.76 122.32 1r79 s ALA 39 Ca 0.56 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 1r79 s ALA 39 Cb 0.45 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 20.31 1r79 s ALA 39 CO 0.02 -1.48 0.22 0.21 0.00 0.00 0.00 175.76 174.72 1r79 s LYS 40 N -4.50 0.23 0.65 0.00 2.47 -1.26 -2.39 119.74 114.95 1r79 s LYS 40 Ca 0.64 0.35 -0.10 0.00 -1.56 0.00 0.00 55.97 55.30 1r79 s LYS 40 Cb -0.19 0.05 -0.01 0.00 -1.46 0.00 0.00 37.83 36.23 1r79 s LYS 40 CO 0.48 -0.07 1.03 0.00 0.16 0.00 0.00 175.35 176.96 1r79 n THR 42 N -2.82 0.25 -0.03 0.00 5.66 -0.79 -3.35 114.28 113.19 1r79 n THR 42 Ca 0.06 -0.27 -0.16 0.00 -3.05 0.00 0.00 64.05 60.63 1r79 n THR 42 Cb 0.56 -0.18 -0.13 0.00 -1.55 0.00 0.00 70.33 69.02 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 1.70 0.00 1.08 2.07 -1.95 -3.38 116.25 115.77 1r79 h VAL 43 Ca -0.10 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1r79 h VAL 43 Cb 0.90 3.30 -0.00 0.00 -1.52 0.00 0.00 31.29 33.97 1r79 h VAL 43 CO 0.01 0.63 -1.80 0.00 0.02 0.00 0.00 177.57 176.43 1r79 n ASP 45 N -2.11 -2.15 -3.81 0.00 8.00 -1.21 -5.03 116.55 110.23 1r79 n ASP 45 Ca -0.03 -0.48 -0.24 0.00 0.71 0.00 0.00 54.79 54.75 1r79 n ASP 45 Cb 0.46 -4.11 -0.17 0.00 -0.02 0.00 0.00 41.12 37.28 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 -5.10 0.86 0.10 -1.24 -0.14 -1.26 -4.83 119.74 108.15 1r79 s LYS 46 Ca 0.02 0.00 -0.19 0.00 -1.36 0.00 0.00 55.97 54.44 1r79 s LYS 46 Cb -0.01 -1.13 -0.11 0.00 -1.68 0.00 0.00 37.83 34.90 1r79 s LYS 46 CO 0.57 -0.28 0.40 -2.37 -0.76 0.00 0.00 175.35 172.90 1r79 n THR 47 N 5.04 1.05 -4.19 2.17 5.66 -1.26 -3.45 114.28 119.29 1r79 n THR 47 Ca -0.09 -0.26 -0.11 0.00 -3.05 0.00 0.00 64.05 60.53 1r79 n THR 47 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1r79 n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r79 n GLY 49 N -0.19 -0.98 3.53 0.00 0.00 -1.26 -3.79 105.19 102.50 1r79 n GLY 49 Ca -0.04 0.47 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 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 1.60 -0.11 1.61 7.64 -1.26 -4.75 113.62 118.36 1r79 n SER 50 Ca 0.00 -2.54 0.01 0.00 1.01 0.00 0.00 58.87 57.36 1r79 n SER 50 Cb 0.00 -1.40 0.04 0.00 -1.01 0.00 0.00 64.21 61.84 1r79 n SER 50 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1r79 n VAL 51 N 8.20 -0.13 -3.42 0.44 0.24 -1.26 -2.92 118.33 119.48 1r79 n VAL 51 Ca 0.44 0.69 -0.19 0.00 -2.04 0.00 0.00 64.34 63.24 1r79 n VAL 51 Cb 0.45 -0.95 -0.01 0.00 -1.47 0.00 0.00 33.84 31.86 1r79 n VAL 51 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1r79 s LEU 52 N -8.96 3.81 -0.64 1.34 1.02 -1.26 -4.52 118.68 109.46 1r79 s LEU 52 Ca -0.04 -0.32 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 1r79 s LEU 52 Cb 0.08 -2.61 0.04 0.00 0.02 0.00 0.00 46.19 43.72 1r79 s LEU 52 CO 0.23 -0.51 0.10 -2.11 0.02 0.00 0.00 176.35 174.08 1r79 n ARG 53 N -1.64 -0.94 -0.44 1.70 -4.01 -1.26 -4.23 116.66 105.84 1r79 n ARG 53 Ca 0.02 0.04 -0.10 0.00 -1.04 0.00 0.00 57.85 56.77 1r79 n ARG 53 Cb 0.59 -1.54 -0.05 0.00 -3.04 0.00 0.00 32.46 28.42 1r79 n ARG 53 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1r79 n LEU 54 N -2.12 -0.09 -0.08 2.89 4.77 -1.15 -4.72 117.00 116.50 1r79 n LEU 54 Ca -0.05 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1r79 n LEU 54 Cb 0.22 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 1r79 n LEU 54 CO 0.34 -0.28 -0.99 0.00 -1.33 0.00 0.00 177.39 175.13 1r79 n GLN 55 N 2.21 0.66 -1.00 3.23 10.64 -1.26 -1.94 117.38 129.91 1r79 n GLN 55 Ca 0.20 0.31 -0.34 0.00 -1.83 0.00 0.00 57.00 55.34 1r79 n GLN 55 Cb 0.02 -1.63 -0.02 0.00 -0.86 0.00 0.00 30.24 27.75 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 -3.78 -1.32 -4.53 2.61 8.00 -1.26 -2.73 116.55 113.54 1r79 n ASP 56 Ca -0.39 0.75 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 1r79 n ASP 56 Cb 0.92 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.90 2.91 -0.02 1.24 0.52 -0.98 0.17 118.94 121.88 1r79 s TRP 57 Ca 0.46 -0.13 0.01 0.00 0.02 0.00 0.00 56.10 56.45 1r79 s TRP 57 Cb -0.61 -1.76 0.02 0.00 -1.15 0.00 0.00 33.47 29.97 1r79 s TRP 57 CO 0.43 0.19 -0.03 -0.98 0.02 0.00 0.00 176.95 176.58 1r79 s ARG 58 N -0.45 0.46 0.63 4.98 1.70 -1.15 -0.51 118.95 124.60 1r79 s ARG 58 Ca 0.06 -0.05 -0.15 0.00 -0.47 0.00 0.00 55.73 55.12 1r79 s ARG 58 Cb -0.12 -0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 33.71 1r79 s ARG 58 CO 0.02 -0.05 1.09 0.00 -1.08 0.00 0.00 175.30 175.29 1r79 n LEU 60 N -2.24 0.76 0.05 0.00 0.00 -1.06 -3.39 117.00 111.13 1r79 n LEU 60 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 56.01 56.05 1r79 n LEU 60 Cb 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 43.42 44.05 1r79 n LEU 60 CO 0.47 0.53 0.19 -0.50 0.00 0.00 0.00 177.39 178.08 1r79 h TRP 61 N 0.00 -0.14 0.00 1.96 6.55 -1.86 -3.35 115.95 119.11 1r79 h TRP 61 Ca -0.46 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.38 1r79 h TRP 61 Cb 1.96 0.05 0.00 0.00 -0.86 0.00 0.00 29.16 30.30 1r79 h TRP 61 CO 0.01 -0.09 0.00 0.00 -1.05 0.00 0.00 178.44 177.31 1r79 n LYS 63 N -2.79 -5.25 -3.93 0.00 5.02 -1.22 -5.01 118.16 104.98 1r79 n LYS 63 Ca 0.04 0.68 -0.35 0.00 -2.02 0.00 0.00 58.31 56.66 1r79 n LYS 63 Cb 0.49 -5.18 -0.14 0.00 -0.02 0.00 0.00 35.03 30.17 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 -3.29 2.74 0.13 7.82 0.00 -1.25 -4.85 121.76 123.07 1r79 s ALA 64 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 1r79 s ALA 64 Cb -0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 1r79 s ALA 64 CO 0.58 -0.63 0.71 -1.64 0.00 0.00 0.00 175.76 174.78 1r79 s MET 65 N 1.40 4.45 -0.07 0.00 -1.94 -1.26 -1.51 119.30 120.37 1r79 s MET 65 Ca 0.03 1.02 -0.16 0.00 -1.71 0.00 0.00 55.69 54.87 1r79 s MET 65 Cb -0.15 -3.26 0.03 0.00 2.01 0.00 0.00 34.83 33.46 1r79 s MET 65 CO -0.04 0.57 0.38 0.14 -0.01 0.00 0.00 175.02 176.06 1r79 s VAL 66 N -1.06 0.03 0.35 -6.03 -7.23 0.33 -1.89 120.40 104.89 1r79 s VAL 66 Ca 0.34 -0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 60.00 1r79 s VAL 66 Cb -0.22 -0.63 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 1r79 s VAL 66 CO 0.24 -0.13 1.09 -1.00 -0.31 0.00 0.00 175.10 174.99 1r79 s HIS 67 N -0.72 3.37 0.24 2.82 3.76 -1.26 -2.31 115.29 121.19 1r79 s HIS 67 Ca -0.08 1.65 -0.02 0.00 -0.15 0.00 0.00 55.06 56.46 1r79 s HIS 67 Cb -0.04 -3.24 0.51 0.00 1.11 0.00 0.00 32.58 30.92 1r79 s HIS 67 CO 0.03 -0.71 1.27 2.41 -0.85 0.00 0.00 174.74 176.90 1r79 n THR 68 N 0.50 -0.34 -0.06 1.30 -1.04 -1.26 0.11 114.28 113.49 1r79 n THR 68 Ca 0.02 1.82 -0.14 0.00 -2.04 0.00 0.00 64.05 63.72 1r79 n THR 68 Cb 0.47 -2.60 -0.06 0.00 -1.82 0.00 0.00 70.33 66.32 1r79 n THR 68 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1r79 h SER 69 N 0.00 0.56 0.25 8.00 4.64 -2.01 -3.29 113.55 121.70 1r79 h SER 69 Ca 0.45 -0.51 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1r79 h SER 69 Cb 0.82 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1r79 h SER 69 CO -0.80 0.96 -0.22 0.00 -0.87 0.00 0.00 176.83 175.90 1r79 n LYS 71 N -5.35 -0.24 -0.31 0.00 4.81 0.14 0.18 118.16 117.39 1r79 n LYS 71 Ca -0.09 0.98 0.17 0.00 -0.87 0.00 0.00 58.31 58.51 1r79 n LYS 71 Cb 0.26 -1.45 0.36 0.00 0.02 0.00 0.00 35.03 34.22 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 -1.63 0.29 114.58 119.16 1r79 h GLU 72 Ca 0.09 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1r79 h GLU 72 Cb 0.22 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1r79 h GLU 72 CO -0.51 0.12 -0.09 1.03 -1.16 0.00 0.00 179.01 178.40 1r79 h SER 73 N 0.18 0.57 -0.80 1.42 0.87 0.19 -3.44 113.55 112.53 1r79 h SER 73 Ca 0.63 -0.38 -0.67 0.00 -1.23 0.00 0.00 61.79 60.14 1r79 h SER 73 Cb 1.37 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1r79 h SER 73 CO -0.70 0.82 0.31 -0.11 -0.53 0.00 0.00 176.83 176.62 1r79 n LEU 74 N -4.48 0.50 -0.07 2.23 7.94 0.10 -4.85 117.00 118.37 1r79 n LEU 74 Ca -0.03 0.94 -0.09 0.00 -1.11 0.00 0.00 56.01 55.72 1r79 n LEU 74 Cb 0.33 -0.72 -0.08 0.00 0.53 0.00 0.00 43.42 43.48 1r79 n LEU 74 CO 0.40 -1.08 -0.97 0.00 -1.11 0.00 0.00 177.39 174.63 1r79 n LEU 75 N 2.25 1.79 -4.46 -1.96 -0.00 -1.26 -5.00 117.00 108.36 1r79 n LEU 75 Ca 0.21 -0.05 -0.42 0.00 -0.00 0.00 0.00 56.01 55.75 1r79 n LEU 75 Cb 0.01 -0.21 0.01 0.00 -0.00 0.00 0.00 43.42 43.22 1r79 n LEU 75 CO 0.61 0.58 0.08 0.35 -0.00 0.00 0.00 177.39 179.02 1r79 n THR 76 N -2.76 1.78 -3.69 1.47 -2.24 -1.26 -4.97 114.28 102.60 1r79 n THR 76 Ca -0.25 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.78 1r79 n THR 76 Cb 0.84 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.57 3.49 0.67 -0.78 2.36 -1.26 -5.06 119.74 117.60 1r79 s LYS 77 Ca 0.63 -0.44 -0.09 0.00 -2.55 0.00 0.00 55.97 53.52 1r79 s LYS 77 Cb -0.61 -2.81 0.03 0.00 -1.05 0.00 0.00 37.83 33.38 1r79 s LYS 77 CO 0.58 0.35 1.02 0.00 1.55 0.00 0.00 175.35 178.85 1r79 n SER 79 N -2.87 2.41 0.00 0.00 2.88 -1.26 -4.74 113.62 110.03 1r79 n SER 79 Ca 0.06 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1r79 n SER 79 Cb 0.58 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 2.60 3.06 3.71 0.46 0.00 -1.26 -4.84 105.19 108.92 1r79 n GLY 80 Ca -0.27 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -2.15 4.33 -0.39 1.61 0.04 -1.26 -4.43 135.00 132.74 1r79 s PRO 81 Ca 0.00 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1r79 s PRO 81 Cb 0.00 -3.31 0.21 0.00 0.04 0.00 0.00 34.50 31.44 1r79 s PRO 81 CO 0.00 -0.44 2.17 0.43 0.04 0.00 0.00 177.00 179.20 1r79 n SER 82 N 4.19 6.63 -4.59 6.66 7.64 -1.26 -4.92 113.62 127.96 1r79 n SER 82 Ca 0.11 -3.18 -0.43 0.00 1.01 0.00 0.00 58.87 56.38 1r79 n SER 82 Cb 0.43 -1.08 -0.02 0.00 -1.01 0.00 0.00 64.21 62.52 1r79 n SER 82 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r79 s SER 83 N -0.03 6.36 0.00 6.43 0.15 -1.26 -5.23 113.70 120.12 1r79 s SER 83 Ca 0.41 0.58 0.11 0.00 0.70 0.00 0.00 55.95 57.74 1r79 s SER 83 Cb 0.30 -2.54 0.63 0.00 -1.71 0.00 0.00 66.02 62.70 1r79 s SER 83 CO -0.05 -1.46 1.07 0.61 1.20 0.00 0.00 173.24 174.62