#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 -0.40 0.10 1.61 0.01 -1.26 -5.06 113.70 108.70 1r79 s SER 2 Ca 0.00 0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.99 1r79 s SER 2 Cb 0.00 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1r79 s SER 2 CO 0.00 -0.16 0.00 -1.20 0.41 0.00 0.00 173.24 172.29 1r79 n SER 3 N 3.72 0.77 0.00 2.44 7.64 -1.26 -5.14 113.62 121.79 1r79 n SER 3 Ca -0.20 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1r79 n SER 3 Cb 0.56 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1r79 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r79 n GLY 4 N 3.16 -1.88 3.59 0.23 0.00 -1.26 -5.03 105.19 104.01 1r79 n GLY 4 Ca 0.00 0.82 -0.23 0.00 0.00 0.00 0.00 46.02 46.61 1r79 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1r79 n SER 5 N 0.00 -5.24 -1.70 1.61 2.88 -1.26 -4.85 113.62 105.07 1r79 n SER 5 Ca 0.00 -0.58 -0.06 0.00 -1.33 0.00 0.00 58.87 56.90 1r79 n SER 5 Cb 0.00 -4.94 -0.03 0.00 -0.75 0.00 0.00 64.21 58.49 1r79 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1r79 n SER 6 N -3.03 5.54 -3.00 -3.46 7.64 -1.26 -4.31 113.62 111.74 1r79 n SER 6 Ca -0.06 -2.55 -0.20 0.00 1.01 0.00 0.00 58.87 57.07 1r79 n SER 6 Cb 0.58 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.58 1r79 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r79 n GLY 7 N 1.51 4.01 3.56 0.23 0.00 -1.26 -5.07 105.19 108.17 1r79 n GLY 7 Ca 0.15 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1r79 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1r79 n THR 8 N 0.04 0.18 -1.51 2.61 -1.04 -1.26 -4.85 114.28 108.45 1r79 n THR 8 Ca 0.25 -0.52 -0.54 0.00 -2.04 0.00 0.00 64.05 61.21 1r79 n THR 8 Cb 0.61 -2.43 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 1r79 n THR 8 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1r79 n THR 9 N 7.75 0.60 -3.92 12.58 -2.24 -1.26 -4.96 114.28 122.83 1r79 n THR 9 Ca 0.35 -0.15 -0.26 0.00 -2.27 0.00 0.00 64.05 61.72 1r79 n THR 9 Cb 0.43 -0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 68.19 1r79 n THR 9 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1r79 s LEU 10 N 0.80 1.08 0.23 3.22 0.20 -1.26 -5.14 118.68 117.80 1r79 s LEU 10 Ca 0.81 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.39 1r79 s LEU 10 Cb -1.07 -0.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 1r79 s LEU 10 CO 0.54 -0.13 0.41 0.00 -0.29 0.00 0.00 176.35 176.88 1r79 s ALA 11 N 1.69 3.83 -0.14 5.97 0.00 -1.26 -5.10 121.76 126.75 1r79 s ALA 11 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 1r79 s ALA 11 Cb -0.13 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1r79 s ALA 11 CO -0.07 0.32 0.01 -1.54 0.00 0.00 0.00 175.76 174.49 1r79 s SER 12 N -3.48 5.27 0.46 0.00 1.04 -1.26 -5.11 113.70 110.62 1r79 s SER 12 Ca 0.38 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.88 1r79 s SER 12 Cb -0.10 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 1r79 s SER 12 CO 0.30 0.25 0.10 2.30 0.98 0.00 0.00 173.24 177.17 1r79 n ILE 13 N 3.03 0.00 -1.00 -1.02 -0.00 -1.26 -5.12 119.36 113.99 1r79 n ILE 13 Ca -0.18 -2.47 -0.36 0.00 -0.00 0.00 0.00 62.75 59.75 1r79 n ILE 13 Cb 0.53 0.76 0.05 0.00 -0.00 0.00 0.00 39.64 40.98 1r79 n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1r79 n GLY 14 N -1.03 -4.01 0.07 3.28 0.00 -1.26 -4.92 105.19 97.33 1r79 n GLY 14 Ca -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1r79 n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r79 n LYS 15 N 1.63 0.66 -1.78 1.61 0.00 -1.26 -4.85 118.16 114.17 1r79 n LYS 15 Ca 0.01 0.01 -0.39 0.00 -0.00 0.00 0.00 58.31 57.94 1r79 n LYS 15 Cb 0.55 -1.62 -0.03 0.00 -0.00 0.00 0.00 35.03 33.93 1r79 n LYS 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1r79 s ASP 16 N -5.28 5.02 0.14 -5.58 1.01 -1.26 -4.88 116.67 105.83 1r79 s ASP 16 Ca -0.07 0.96 -0.27 0.00 0.71 0.00 0.00 52.55 53.89 1r79 s ASP 16 Cb 0.09 -2.51 -0.15 0.00 1.01 0.00 0.00 42.92 41.36 1r79 s ASP 16 CO 0.85 -2.46 0.55 -0.38 0.21 0.00 0.00 175.17 173.94 1r79 n ILE 17 N 7.64 1.39 -4.19 0.77 -0.00 -1.26 -4.93 119.36 118.78 1r79 n ILE 17 Ca 0.29 -0.35 -0.35 0.00 -0.00 0.00 0.00 62.75 62.34 1r79 n ILE 17 Cb 0.52 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.08 1r79 n ILE 17 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1r79 s ILE 18 N -0.70 4.72 0.39 1.39 1.09 -1.26 -5.00 121.20 121.83 1r79 s ILE 18 Ca 0.61 -0.15 0.09 0.00 -1.10 0.00 0.00 60.65 60.10 1r79 s ILE 18 Cb -0.87 -3.03 0.30 0.00 -1.06 0.00 0.00 42.46 37.80 1r79 s ILE 18 CO 0.49 0.57 1.97 1.05 -0.10 0.00 0.00 174.94 178.92 1r79 h GLU 19 N 4.93 0.60 -4.99 2.79 9.09 -2.01 -3.38 114.58 121.62 1r79 h GLU 19 Ca -0.52 -0.04 -0.67 0.00 0.05 0.00 0.00 59.36 58.19 1r79 h GLU 19 Cb 1.20 -0.14 -0.35 0.00 -1.65 0.00 0.00 28.75 27.81 1r79 h GLU 19 CO 0.57 0.40 -0.83 0.16 0.05 0.00 0.00 179.01 179.35 1r79 s ASP 20 N -6.23 3.63 -0.25 3.06 -4.77 -1.26 -4.63 116.67 106.22 1r79 s ASP 20 Ca -0.09 -0.89 0.14 0.00 -3.30 0.00 0.00 52.55 48.42 1r79 s ASP 20 Cb 0.19 -1.52 0.47 0.00 -1.09 0.00 0.00 42.92 40.98 1r79 s ASP 20 CO 0.76 -0.07 1.16 0.00 0.70 0.00 0.00 175.17 177.73 1r79 n ALA 21 N 4.57 3.84 -2.69 2.11 0.00 -1.26 -4.94 120.51 122.13 1r79 n ALA 21 Ca -0.19 -3.27 -0.07 0.00 0.00 0.00 0.00 53.44 49.91 1r79 n ALA 21 Cb 0.47 -0.56 0.03 0.00 0.00 0.00 0.00 19.45 19.39 1r79 n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r79 n ASP 22 N -0.63 -2.86 0.00 0.00 -0.08 -1.26 -4.83 116.55 106.90 1r79 n ASP 22 Ca 0.26 -0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1r79 n ASP 22 Cb 0.90 -1.91 0.00 0.00 2.34 0.00 0.00 41.12 42.44 1r79 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r79 n GLY 23 N -1.00 -0.15 3.75 0.27 0.00 -1.26 -5.13 105.19 101.68 1r79 n GLY 23 Ca -0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.56 3.46 -0.19 -0.61 1.09 -1.26 -5.04 121.20 117.09 1r79 s ILE 24 Ca 0.00 1.32 -0.11 0.00 -1.10 0.00 0.00 60.65 60.76 1r79 s ILE 24 Cb 0.00 -3.84 0.06 0.00 -1.06 0.00 0.00 42.46 37.62 1r79 s ILE 24 CO 0.00 0.25 0.46 0.00 -0.10 0.00 0.00 174.94 175.56 1r79 s ALA 25 N -0.52 -1.20 -0.73 9.38 0.00 -1.26 -4.77 121.76 122.66 1r79 s ALA 25 Ca 0.50 1.68 -0.08 0.00 0.00 0.00 0.00 51.96 54.06 1r79 s ALA 25 Cb -0.33 -1.01 0.19 0.00 0.00 0.00 0.00 23.12 21.97 1r79 s ALA 25 CO 0.40 -0.28 0.60 -1.64 0.00 0.00 0.00 175.76 174.83 1r79 s MET 26 N 1.36 3.05 0.54 0.00 -1.94 -1.26 -5.07 119.30 115.98 1r79 s MET 26 Ca -0.09 -2.54 -0.09 0.00 -1.71 0.00 0.00 55.69 51.26 1r79 s MET 26 Cb -0.07 -4.04 0.13 0.00 2.01 0.00 0.00 34.83 32.85 1r79 s MET 26 CO -0.13 -1.23 0.47 -0.35 -0.01 0.00 0.00 175.02 173.78 1r79 n PRO 27 N 3.63 -1.95 -3.39 2.03 -0.04 -1.26 -3.40 135.00 130.62 1r79 n PRO 27 Ca 0.11 -0.76 -0.39 0.00 -0.04 0.00 0.00 63.50 62.42 1r79 n PRO 27 Cb 0.42 -0.71 -0.09 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.86 3.27 -0.95 0.54 3.76 -1.26 -4.65 115.29 114.15 1r79 s HIS 28 Ca 0.31 0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 55.43 1r79 s HIS 28 Cb -0.03 -2.56 -0.00 0.00 1.11 0.00 0.00 32.58 31.10 1r79 s HIS 28 CO 0.24 -0.18 1.71 -1.14 -0.85 0.00 0.00 174.74 174.52 1r79 s GLN 29 N 1.90 3.03 -0.04 1.40 2.00 -1.26 -4.96 119.66 121.74 1r79 s GLN 29 Ca 0.16 -0.65 -0.30 0.00 -2.00 0.00 0.00 55.36 52.57 1r79 s GLN 29 Cb -0.15 -5.17 -0.04 0.00 0.80 0.00 0.00 33.01 28.44 1r79 s GLN 29 CO 0.09 -2.82 1.20 -1.58 -0.50 0.00 0.00 175.29 171.68 1r79 s TRP 30 N 7.70 3.23 -0.37 1.67 0.23 -1.26 -2.81 118.94 127.33 1r79 s TRP 30 Ca 0.59 1.23 0.01 0.00 -2.03 0.00 0.00 56.10 55.90 1r79 s TRP 30 Cb -0.04 -3.42 0.10 0.00 0.03 0.00 0.00 33.47 30.15 1r79 s TRP 30 CO -0.04 -1.31 0.11 -0.51 0.96 0.00 0.00 176.95 176.16 1r79 s LEU 31 N 2.03 4.96 0.08 2.99 1.02 -0.48 -4.91 118.68 124.36 1r79 s LEU 31 Ca 0.56 -2.11 -0.26 0.00 0.02 0.00 0.00 54.13 52.35 1r79 s LEU 31 Cb -0.25 -1.71 -0.14 0.00 0.02 0.00 0.00 46.19 44.11 1r79 s LEU 31 CO 0.23 -0.44 0.60 1.21 0.02 0.00 0.00 176.35 177.97 1r79 n GLU 32 N 4.39 0.00 0.00 1.70 2.13 -1.26 -3.67 120.64 123.92 1r79 n GLU 32 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1r79 n GLU 32 Cb 0.42 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.18 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 1.32 2.13 3.24 8.31 0.00 0.20 -4.91 105.19 115.49 1r79 n GLY 33 Ca 0.14 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.77 -4.85 -4.47 1.61 3.02 -1.26 -4.34 115.26 104.19 1r79 n ASN 34 Ca 0.00 -0.48 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 1r79 n ASN 34 Cb 0.00 -4.39 -0.13 0.00 -0.61 0.00 0.00 39.78 34.65 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r79 s LEU 35 N -6.23 3.13 0.85 3.41 2.01 -1.26 -4.91 118.68 115.69 1r79 s LEU 35 Ca 0.38 -0.17 -0.11 0.00 0.01 0.00 0.00 54.13 54.24 1r79 s LEU 35 Cb -0.17 -1.74 0.10 0.00 0.01 0.00 0.00 46.19 44.39 1r79 s LEU 35 CO 0.62 0.18 1.09 -2.16 1.01 0.00 0.00 176.35 177.09 1r79 s PRO 36 N 0.31 1.60 0.22 1.29 0.04 -1.26 -4.82 135.00 132.38 1r79 s PRO 36 Ca -0.05 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 61.85 1r79 s PRO 36 Cb -0.14 -1.84 0.19 0.00 0.04 0.00 0.00 34.50 32.74 1r79 s PRO 36 CO 0.04 -2.04 1.84 -0.39 0.04 0.00 0.00 177.00 176.49 1r79 h VAL 37 N -1.41 1.25 -1.11 -0.36 -1.51 -1.99 -2.65 116.25 108.48 1r79 h VAL 37 Ca -0.47 -0.64 -0.68 0.00 -1.23 0.00 0.00 66.70 63.67 1r79 h VAL 37 Cb 1.27 0.12 -0.28 0.00 -2.13 0.00 0.00 31.29 30.26 1r79 h VAL 37 CO 0.53 0.29 0.89 -1.20 -1.23 0.00 0.00 177.57 176.85 1r79 n SER 38 N -4.36 7.67 -4.83 4.19 7.64 -1.26 -4.90 113.62 117.77 1r79 n SER 38 Ca 0.09 -3.78 -0.31 0.00 1.01 0.00 0.00 58.87 55.87 1r79 n SER 38 Cb 0.10 -0.99 0.03 0.00 -1.01 0.00 0.00 64.21 62.34 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 -3.82 2.80 -0.04 -0.43 0.00 -1.00 -4.97 121.76 114.30 1r79 s ALA 39 Ca 0.63 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 1r79 s ALA 39 Cb 0.50 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1r79 s ALA 39 CO -0.06 -0.95 0.14 0.21 0.00 0.00 0.00 175.76 175.10 1r79 s LYS 40 N -4.75 0.25 0.65 0.00 2.47 -1.26 -1.80 119.74 115.31 1r79 s LYS 40 Ca 0.59 0.03 -0.11 0.00 -1.56 0.00 0.00 55.97 54.93 1r79 s LYS 40 Cb -0.14 0.11 -0.01 0.00 -1.46 0.00 0.00 37.83 36.34 1r79 s LYS 40 CO 0.48 -0.04 1.04 0.00 0.16 0.00 0.00 175.35 176.99 1r79 n THR 42 N -2.85 0.20 0.00 0.00 5.66 -0.78 -3.39 114.28 113.12 1r79 n THR 42 Ca 0.06 -0.24 -0.17 0.00 -3.05 0.00 0.00 64.05 60.64 1r79 n THR 42 Cb 0.56 -0.10 -0.14 0.00 -1.55 0.00 0.00 70.33 69.10 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 1.62 0.00 1.08 2.07 -1.95 -3.39 116.25 115.68 1r79 h VAL 43 Ca -0.08 -2.43 -0.23 0.00 0.82 0.00 0.00 66.70 64.78 1r79 h VAL 43 Cb 0.79 3.24 -0.04 0.00 -1.52 0.00 0.00 31.29 33.76 1r79 h VAL 43 CO 0.00 0.67 -2.03 0.00 0.02 0.00 0.00 177.57 176.23 1r79 n ASP 45 N -2.49 -2.23 -3.96 0.00 8.00 -1.22 -5.04 116.55 109.62 1r79 n ASP 45 Ca -0.21 -0.16 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 1r79 n ASP 45 Cb 0.91 -1.66 -0.12 0.00 -0.02 0.00 0.00 41.12 40.22 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 -4.15 0.27 0.06 -1.24 1.02 -1.26 -4.83 119.74 109.61 1r79 s LYS 46 Ca 0.02 -0.39 -0.25 0.00 0.02 0.00 0.00 55.97 55.38 1r79 s LYS 46 Cb -0.00 -0.07 -0.13 0.00 -0.52 0.00 0.00 37.83 37.10 1r79 s LYS 46 CO 0.18 0.01 0.58 -2.37 -0.92 0.00 0.00 175.35 172.83 1r79 n THR 47 N 2.22 0.65 -4.29 2.17 5.66 -1.26 -2.02 114.28 117.40 1r79 n THR 47 Ca -0.19 -0.16 -0.16 0.00 -3.05 0.00 0.00 64.05 60.49 1r79 n THR 47 Cb 0.57 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 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 -0.29 3.91 3.34 0.00 0.00 -1.26 -3.88 105.19 107.00 1r79 n GLY 49 Ca -0.09 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 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 5.43 0.02 1.61 0.15 -1.26 -5.00 113.70 114.66 1r79 s SER 50 Ca 0.00 -0.93 -0.26 0.00 0.70 0.00 0.00 55.95 55.47 1r79 s SER 50 Cb 0.00 -1.94 -0.14 0.00 -1.71 0.00 0.00 66.02 62.23 1r79 s SER 50 CO 0.00 -0.30 1.15 0.58 1.20 0.00 0.00 173.24 175.87 1r79 h VAL 51 N 5.95 0.00 -0.62 4.45 2.07 -1.97 -2.90 116.25 123.23 1r79 h VAL 51 Ca -0.27 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1r79 h VAL 51 Cb 1.11 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.77 1r79 h VAL 51 CO 0.63 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 177.69 1r79 h LEU 52 N -1.13 -1.59 -6.74 2.57 3.38 -2.05 -3.40 115.31 106.35 1r79 h LEU 52 Ca -0.09 0.26 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1r79 h LEU 52 Cb 0.71 0.72 -0.29 0.00 0.09 0.00 0.00 40.66 41.89 1r79 h LEU 52 CO 0.16 -0.33 -0.43 -0.60 0.09 0.00 0.00 178.44 177.33 1r79 s ARG 53 N -5.79 0.34 -0.17 1.13 6.06 -1.24 -5.12 118.95 114.16 1r79 s ARG 53 Ca -0.14 0.76 -0.36 0.00 -2.50 0.00 0.00 55.73 53.50 1r79 s ARG 53 Cb 0.13 -0.10 -0.13 0.00 0.06 0.00 0.00 34.95 34.92 1r79 s ARG 53 CO 0.66 -0.47 1.89 1.28 -2.50 0.00 0.00 175.30 176.15 1r79 n LEU 54 N 5.38 3.07 0.00 -0.88 4.77 -1.09 -4.65 117.00 123.60 1r79 n LEU 54 Ca -0.06 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 1r79 n LEU 54 Cb 0.50 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1r79 n LEU 54 CO 0.03 -0.22 -0.35 0.00 -1.33 0.00 0.00 177.39 175.53 1r79 n GLN 55 N 6.54 0.00 -0.97 3.23 10.64 -1.26 -4.11 117.38 131.44 1r79 n GLN 55 Ca 0.25 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 55.06 1r79 n GLN 55 Cb 0.25 -0.73 0.05 0.00 -0.86 0.00 0.00 30.24 28.94 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 -2.34 -4.74 -4.14 2.61 8.00 -1.26 -3.46 116.55 111.21 1r79 n ASP 56 Ca 0.00 0.13 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 1r79 n ASP 56 Cb 0.35 -0.73 -0.17 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 -2.04 2.30 0.02 1.24 0.52 -1.14 0.61 118.94 120.45 1r79 s TRP 57 Ca 0.41 -1.04 0.06 0.00 0.02 0.00 0.00 56.10 55.55 1r79 s TRP 57 Cb -0.10 -1.58 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 1r79 s TRP 57 CO 0.76 -0.47 -0.18 -0.98 0.02 0.00 0.00 176.95 176.10 1r79 s ARG 58 N 0.68 1.31 0.60 4.98 1.70 -1.24 -1.62 118.95 125.36 1r79 s ARG 58 Ca -0.12 -0.78 -0.14 0.00 -0.47 0.00 0.00 55.73 54.22 1r79 s ARG 58 Cb -0.16 -1.34 -0.04 0.00 -0.57 0.00 0.00 34.95 32.85 1r79 s ARG 58 CO 0.02 0.35 1.04 0.00 -1.08 0.00 0.00 175.30 175.63 1r79 n LEU 60 N -2.30 0.00 -0.08 0.00 0.00 -1.12 -3.26 117.00 110.23 1r79 n LEU 60 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.95 1r79 n LEU 60 Cb 0.53 0.13 -0.07 0.00 0.00 0.00 0.00 43.42 44.01 1r79 n LEU 60 CO 0.51 0.13 -0.30 -0.50 0.00 0.00 0.00 177.39 177.23 1r79 h TRP 61 N 0.00 0.00 -0.67 1.96 6.55 -1.87 -3.38 115.95 118.54 1r79 h TRP 61 Ca -0.14 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.70 1r79 h TRP 61 Cb 1.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 1r79 h TRP 61 CO 0.00 0.81 0.00 0.00 -1.05 0.00 0.00 178.44 178.20 1r79 n LYS 63 N 1.34 -0.75 -3.77 0.00 2.85 -1.20 -4.87 118.16 111.75 1r79 n LYS 63 Ca 0.24 -0.06 -0.37 0.00 -1.05 0.00 0.00 58.31 57.08 1r79 n LYS 63 Cb 0.74 -1.64 -0.13 0.00 -0.65 0.00 0.00 35.03 33.35 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 -3.97 3.06 -0.08 0.58 0.00 -1.25 -4.82 121.76 115.27 1r79 s ALA 64 Ca 0.15 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.53 1r79 s ALA 64 Cb -0.08 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1r79 s ALA 64 CO 0.60 -0.82 0.55 -1.64 0.00 0.00 0.00 175.76 174.46 1r79 s MET 65 N 1.52 4.35 -0.01 0.00 -1.94 -1.26 -1.38 119.30 120.58 1r79 s MET 65 Ca 0.03 0.60 -0.02 0.00 -1.71 0.00 0.00 55.69 54.60 1r79 s MET 65 Cb -0.17 -3.42 -0.00 0.00 2.01 0.00 0.00 34.83 33.25 1r79 s MET 65 CO 0.02 0.18 0.04 0.14 -0.01 0.00 0.00 175.02 175.39 1r79 s VAL 66 N 0.50 0.04 0.32 -6.03 -7.23 -0.64 -1.87 120.40 105.49 1r79 s VAL 66 Ca 0.30 -0.29 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 1r79 s VAL 66 Cb -0.16 -0.17 -0.10 0.00 0.56 0.00 0.00 36.38 36.51 1r79 s VAL 66 CO 0.13 -0.16 1.19 -1.00 -0.31 0.00 0.00 175.10 174.96 1r79 s HIS 67 N -0.48 3.28 0.21 2.82 3.76 -1.26 -2.90 115.29 120.71 1r79 s HIS 67 Ca -0.05 1.56 -0.05 0.00 -0.15 0.00 0.00 55.06 56.37 1r79 s HIS 67 Cb -0.03 -3.46 0.36 0.00 1.11 0.00 0.00 32.58 30.56 1r79 s HIS 67 CO -0.00 -1.20 1.13 0.25 -0.85 0.00 0.00 174.74 174.07 1r79 n THR 68 N 0.84 -0.30 -0.01 1.30 -2.24 -1.26 0.63 114.28 113.23 1r79 n THR 68 Ca 0.00 1.65 -0.13 0.00 -2.27 0.00 0.00 64.05 63.30 1r79 n THR 68 Cb 0.44 -2.29 -0.10 0.00 -2.10 0.00 0.00 70.33 66.27 1r79 n THR 68 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1r79 h SER 69 N 0.00 -0.01 -0.45 3.42 0.87 -2.02 -3.27 113.55 112.09 1r79 h SER 69 Ca 0.36 -0.50 0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1r79 h SER 69 Cb 0.58 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.45 1r79 h SER 69 CO -0.74 0.49 -0.11 0.00 -0.53 0.00 0.00 176.83 175.95 1r79 n LYS 71 N -5.33 -0.08 -0.36 0.00 4.81 0.11 0.23 118.16 117.55 1r79 n LYS 71 Ca 0.03 1.33 0.06 0.00 -0.87 0.00 0.00 58.31 58.87 1r79 n LYS 71 Cb 0.24 -2.03 0.23 0.00 0.02 0.00 0.00 35.03 33.49 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 1.01 -0.18 1.64 5.08 -1.41 -2.18 114.58 118.54 1r79 h GLU 72 Ca 0.44 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1r79 h GLU 72 Cb 0.75 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1r79 h GLU 72 CO -0.87 0.67 -0.03 0.77 -1.00 0.00 0.00 179.01 178.55 1r79 h SER 73 N 1.04 0.34 -0.98 1.42 0.02 0.28 -3.44 113.55 112.23 1r79 h SER 73 Ca 0.47 -0.35 -0.81 0.00 -0.84 0.00 0.00 61.79 60.26 1r79 h SER 73 Cb 0.38 -0.09 0.03 0.00 0.14 0.00 0.00 62.40 62.86 1r79 h SER 73 CO -0.22 0.61 0.34 -0.11 -1.14 0.00 0.00 176.83 176.30 1r79 n LEU 74 N -4.67 0.54 -0.83 5.07 7.94 -0.48 -4.85 117.00 119.71 1r79 n LEU 74 Ca -0.05 1.15 0.05 0.00 -1.11 0.00 0.00 56.01 56.05 1r79 n LEU 74 Cb 0.25 -0.88 0.12 0.00 0.53 0.00 0.00 43.42 43.45 1r79 n LEU 74 CO 0.37 -1.39 0.27 0.00 -1.11 0.00 0.00 177.39 175.54 1r79 n LEU 75 N 2.58 1.90 -4.81 -1.96 -0.00 -1.26 -5.01 117.00 108.45 1r79 n LEU 75 Ca 0.24 -2.97 -0.23 0.00 -0.00 0.00 0.00 56.01 53.06 1r79 n LEU 75 Cb 0.02 -0.30 -0.05 0.00 -0.00 0.00 0.00 43.42 43.08 1r79 n LEU 75 CO 0.73 0.94 -0.19 0.42 -0.00 0.00 0.00 177.39 179.29 1r79 s THR 76 N -1.88 4.38 0.46 1.47 -4.23 -1.26 -5.13 115.64 109.45 1r79 s THR 76 Ca 0.33 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1r79 s THR 76 Cb 0.34 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1r79 s THR 76 CO -0.09 -0.31 0.67 -0.75 -0.54 0.00 0.00 174.62 173.60 1r79 s LYS 77 N -3.70 2.95 0.36 3.99 2.20 -1.26 -4.97 119.74 119.30 1r79 s LYS 77 Ca 0.32 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1r79 s LYS 77 Cb -0.08 -2.57 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1r79 s LYS 77 CO 0.24 -0.33 0.54 0.00 -0.36 0.00 0.00 175.35 175.44 1r79 n SER 79 N -1.78 1.98 0.00 0.00 2.88 -1.26 -4.88 113.62 110.56 1r79 n SER 79 Ca -0.03 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1r79 n SER 79 Cb 0.57 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 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 1.73 3.11 0.23 0.46 0.00 -1.26 -4.87 105.19 104.58 1r79 n GLY 80 Ca -0.42 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 1r79 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 h PRO 81 N 0.00 0.80 -4.30 1.61 0.13 -1.93 -3.40 132.00 124.91 1r79 h PRO 81 Ca 0.00 -0.42 -0.68 0.00 -0.87 0.00 0.00 66.00 64.03 1r79 h PRO 81 Cb 0.00 0.01 -0.37 0.00 0.13 0.00 0.00 31.00 30.78 1r79 h PRO 81 CO 0.00 1.05 -0.58 -1.12 -0.23 0.00 0.00 178.00 177.12 1r79 s SER 82 N -6.66 5.03 0.18 1.44 0.01 -1.26 -4.97 113.70 107.47 1r79 s SER 82 Ca -0.12 -2.29 -0.14 0.00 1.31 0.00 0.00 55.95 54.71 1r79 s SER 82 Cb 0.10 -1.76 0.17 0.00 0.21 0.00 0.00 66.02 64.73 1r79 s SER 82 CO 0.85 -0.44 1.70 0.28 0.41 0.00 0.00 173.24 176.04 1r79 h SER 83 N 7.62 -0.13 -0.01 2.44 0.02 -1.90 -3.53 113.55 118.06 1r79 h SER 83 Ca -0.08 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1r79 h SER 83 Cb 1.01 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1r79 h SER 83 CO 0.65 -0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.92