#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 -0.53 -2.26 1.61 0.87 -2.15 -3.41 113.55 107.68 1r79 h SER 2 Ca 0.00 0.25 -0.57 0.00 -1.23 0.00 0.00 61.79 60.25 1r79 h SER 2 Cb 0.00 0.47 0.21 0.00 -0.44 0.00 0.00 62.40 62.64 1r79 h SER 2 CO 0.00 -0.29 -1.36 -1.54 -0.53 0.00 0.00 176.83 173.12 1r79 n SER 3 N -5.47 -4.37 0.00 6.23 3.41 -1.26 -5.00 113.62 107.16 1r79 n SER 3 Ca 0.18 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1r79 n SER 3 Cb 0.60 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1r79 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r79 n GLY 4 N 2.80 5.30 3.16 5.00 0.00 -1.26 -5.18 105.19 115.00 1r79 n GLY 4 Ca 0.03 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 1r79 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r79 s SER 5 N 1.00 0.36 0.32 1.61 0.15 -1.26 -5.18 113.70 110.70 1r79 s SER 5 Ca 0.00 -1.22 0.10 0.00 0.70 0.00 0.00 55.95 55.53 1r79 s SER 5 Cb 0.00 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1r79 s SER 5 CO 0.00 -0.72 -0.04 -0.94 1.20 0.00 0.00 173.24 172.74 1r79 s SER 6 N -3.06 4.08 0.13 5.45 1.04 -1.26 -5.16 113.70 114.93 1r79 s SER 6 Ca 0.25 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1r79 s SER 6 Cb 0.07 -0.52 -0.00 0.00 0.10 0.00 0.00 66.02 65.67 1r79 s SER 6 CO 0.02 -0.15 0.01 0.61 0.98 0.00 0.00 173.24 174.71 1r79 n GLY 7 N -0.87 4.00 3.54 7.32 0.00 -1.26 -5.17 105.19 112.75 1r79 n GLY 7 Ca -0.05 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.59 0.00 0.28 2.61 -1.32 -1.26 -5.19 115.64 109.17 1r79 s THR 8 Ca 0.01 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 1r79 s THR 8 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1r79 s THR 8 CO 0.01 0.00 0.19 0.42 -2.21 0.00 0.00 174.62 173.03 1r79 s THR 9 N -2.23 0.12 0.00 5.08 -4.23 -1.26 -5.18 115.64 107.94 1r79 s THR 9 Ca 0.02 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.46 1r79 s THR 9 Cb -0.01 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1r79 s THR 9 CO -0.04 0.00 0.15 -0.22 -0.54 0.00 0.00 174.62 173.97 1r79 s LEU 10 N -3.30 1.50 -0.33 4.79 2.96 -1.26 -5.13 118.68 117.91 1r79 s LEU 10 Ca 0.38 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1r79 s LEU 10 Cb 0.05 0.72 0.11 0.00 0.50 0.00 0.00 46.19 47.56 1r79 s LEU 10 CO 0.19 -0.38 0.13 0.00 -1.32 0.00 0.00 176.35 174.97 1r79 s ALA 11 N -1.38 1.52 -0.73 5.97 0.00 -1.26 -5.03 121.76 120.86 1r79 s ALA 11 Ca -0.15 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.08 1r79 s ALA 11 Cb -0.07 -1.64 0.26 0.00 0.00 0.00 0.00 23.12 21.66 1r79 s ALA 11 CO 0.02 -1.75 0.89 -1.13 0.00 0.00 0.00 175.76 173.79 1r79 n SER 12 N 4.64 4.30 -0.24 0.00 3.41 -1.26 -4.92 113.62 119.55 1r79 n SER 12 Ca 0.00 -3.44 0.24 0.00 -0.26 0.00 0.00 58.87 55.41 1r79 n SER 12 Cb 0.41 -0.79 0.44 0.00 -0.26 0.00 0.00 64.21 64.01 1r79 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r79 n ILE 13 N 0.93 -0.31 0.00 -1.33 0.00 -1.26 -4.87 119.36 112.53 1r79 n ILE 13 Ca 0.29 1.50 0.00 0.00 0.00 0.00 0.00 62.75 64.54 1r79 n ILE 13 Cb 0.39 -2.44 0.00 0.00 0.00 0.00 0.00 39.64 37.59 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 -1.20 0.07 4.00 4.50 0.00 -1.26 -5.03 105.19 106.27 1r79 n GLY 14 Ca 0.28 -1.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 2.74 -0.41 1.61 3.01 -1.26 -5.05 119.74 120.38 1r79 s LYS 15 Ca 0.00 -1.18 -0.29 0.00 -1.01 0.00 0.00 55.97 53.49 1r79 s LYS 15 Cb 0.00 -2.70 0.02 0.00 -1.01 0.00 0.00 37.83 34.14 1r79 s LYS 15 CO 0.00 -0.39 1.17 0.34 0.51 0.00 0.00 175.35 176.99 1r79 s ASP 16 N -4.38 6.67 0.23 2.83 -1.08 -1.26 -5.01 116.67 114.67 1r79 s ASP 16 Ca 0.56 0.72 -0.26 0.00 -0.52 0.00 0.00 52.55 53.05 1r79 s ASP 16 Cb -0.10 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.73 1r79 s ASP 16 CO 0.34 -1.17 0.86 -0.63 0.52 0.00 0.00 175.17 175.10 1r79 s ILE 17 N 4.38 4.25 0.18 4.11 1.01 -1.26 -5.05 121.20 128.81 1r79 s ILE 17 Ca 0.50 1.82 -0.14 0.00 0.00 0.00 0.00 60.65 62.82 1r79 s ILE 17 Cb -0.10 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1r79 s ILE 17 CO 0.27 0.40 0.59 -0.63 0.00 0.00 0.00 174.94 175.56 1r79 s ILE 18 N -1.30 4.81 -0.00 2.92 1.01 -1.26 -5.02 121.20 122.36 1r79 s ILE 18 Ca 0.41 0.85 -0.22 0.00 0.00 0.00 0.00 60.65 61.70 1r79 s ILE 18 Cb -0.22 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 1r79 s ILE 18 CO 0.27 0.17 0.95 -0.33 0.00 0.00 0.00 174.94 176.01 1r79 h GLU 19 N 3.33 -0.76 -2.12 2.79 3.07 -1.99 -3.47 114.58 115.43 1r79 h GLU 19 Ca -0.48 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.38 1r79 h GLU 19 Cb 1.19 0.17 -0.22 0.00 -0.84 0.00 0.00 28.75 29.06 1r79 h GLU 19 CO 0.66 -0.50 0.07 -0.51 -1.40 0.00 0.00 179.01 177.32 1r79 s ASP 20 N -4.40 -0.70 -0.06 1.42 1.11 -1.26 -4.99 116.67 107.80 1r79 s ASP 20 Ca -0.11 1.35 -0.25 0.00 0.18 0.00 0.00 52.55 53.71 1r79 s ASP 20 Cb 0.01 1.36 -0.24 0.00 1.07 0.00 0.00 42.92 45.13 1r79 s ASP 20 CO 0.34 -0.23 1.01 0.00 1.18 0.00 0.00 175.17 177.48 1r79 h ALA 21 N 5.12 0.03 -3.33 5.23 0.00 -2.03 -3.41 119.26 120.87 1r79 h ALA 21 Ca -0.29 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.50 1r79 h ALA 21 Cb 1.16 0.01 -0.38 0.00 0.00 0.00 0.00 17.79 18.58 1r79 h ALA 21 CO 0.08 0.06 -0.55 -0.51 0.00 0.00 0.00 179.25 178.34 1r79 s ASP 22 N -6.28 4.75 0.00 0.00 1.01 -1.26 -4.87 116.67 110.03 1r79 s ASP 22 Ca -0.16 -2.79 0.00 0.00 0.71 0.00 0.00 52.55 50.31 1r79 s ASP 22 Cb 0.00 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.21 1r79 s ASP 22 CO 0.73 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.41 1r79 n GLY 23 N 3.48 -0.28 3.79 0.21 0.00 -1.26 -5.08 105.19 106.04 1r79 n GLY 23 Ca 0.05 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.01 5.06 -0.26 -0.61 1.09 -1.26 -4.73 121.20 120.48 1r79 s ILE 24 Ca 0.00 0.90 -0.06 0.00 -1.10 0.00 0.00 60.65 60.39 1r79 s ILE 24 Cb 0.00 -3.76 -0.00 0.00 -1.06 0.00 0.00 42.46 37.64 1r79 s ILE 24 CO 0.00 0.49 0.04 0.00 -0.10 0.00 0.00 174.94 175.36 1r79 s ALA 25 N -0.47 3.00 -0.09 9.38 0.00 -1.26 -5.06 121.76 127.25 1r79 s ALA 25 Ca 0.25 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1r79 s ALA 25 Cb -0.16 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 20.98 1r79 s ALA 25 CO 0.12 -0.70 -0.18 0.00 0.00 0.00 0.00 175.76 175.01 1r79 s MET 26 N 1.51 2.42 0.70 0.00 0.23 -1.26 -5.06 119.30 117.83 1r79 s MET 26 Ca 0.04 -0.65 -0.12 0.00 -1.03 0.00 0.00 55.69 53.93 1r79 s MET 26 Cb -0.16 -1.91 0.17 0.00 -1.53 0.00 0.00 34.83 31.40 1r79 s MET 26 CO 0.01 0.07 0.62 -0.35 -2.03 0.00 0.00 175.02 173.34 1r79 n PRO 27 N 3.77 -2.23 -3.11 3.16 -0.04 -1.26 -4.28 135.00 131.01 1r79 n PRO 27 Ca -0.20 -0.99 -0.39 0.00 -0.04 0.00 0.00 63.50 61.87 1r79 n PRO 27 Cb 0.52 -0.93 -0.05 0.00 -0.04 0.00 0.00 33.50 33.00 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 -2.12 3.58 -0.92 0.54 3.76 -1.26 -4.77 115.29 114.09 1r79 s HIS 28 Ca 0.40 1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 56.25 1r79 s HIS 28 Cb -0.04 -2.74 0.00 0.00 1.11 0.00 0.00 32.58 30.91 1r79 s HIS 28 CO 0.31 0.12 1.69 -1.14 -0.85 0.00 0.00 174.74 174.87 1r79 s GLN 29 N 0.68 3.04 -0.11 1.40 2.00 -1.26 -4.96 119.66 120.45 1r79 s GLN 29 Ca 0.35 -0.58 -0.30 0.00 -2.00 0.00 0.00 55.36 52.84 1r79 s GLN 29 Cb -0.17 -5.09 -0.01 0.00 0.80 0.00 0.00 33.01 28.54 1r79 s GLN 29 CO 0.17 -2.76 1.04 -1.58 -0.50 0.00 0.00 175.29 171.65 1r79 s TRP 30 N 7.58 3.44 -0.35 1.67 0.23 -1.26 -3.09 118.94 127.16 1r79 s TRP 30 Ca 0.57 1.52 -0.06 0.00 -2.03 0.00 0.00 56.10 56.11 1r79 s TRP 30 Cb -0.04 -3.23 0.06 0.00 0.03 0.00 0.00 33.47 30.28 1r79 s TRP 30 CO -0.02 -0.42 0.12 -1.17 0.96 0.00 0.00 176.95 176.42 1r79 s LEU 31 N 2.18 4.49 -0.48 2.99 2.96 -1.07 -4.92 118.68 124.84 1r79 s LEU 31 Ca 0.49 -1.33 -0.41 0.00 -0.22 0.00 0.00 54.13 52.66 1r79 s LEU 31 Cb -0.19 -1.85 -0.17 0.00 0.50 0.00 0.00 46.19 44.48 1r79 s LEU 31 CO 0.17 -0.37 2.18 1.21 -1.32 0.00 0.00 176.35 178.22 1r79 n GLU 32 N 4.77 0.32 0.00 1.98 2.13 -1.26 -3.61 120.64 124.97 1r79 n GLU 32 Ca -0.11 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1r79 n GLU 32 Cb 0.44 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 7.17 -1.12 1.91 8.31 0.00 0.33 -4.85 105.19 116.94 1r79 n GLY 33 Ca 0.51 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 0.35 -2.46 -4.37 1.61 5.15 -1.26 -4.24 115.26 110.05 1r79 n ASN 34 Ca 0.00 -0.19 -0.34 0.00 -0.60 0.00 0.00 54.58 53.45 1r79 n ASN 34 Cb 0.00 -1.98 -0.14 0.00 -0.53 0.00 0.00 39.78 37.13 1r79 n ASN 34 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r79 s LEU 35 N -3.29 2.83 0.75 1.20 2.01 -1.26 -4.85 118.68 116.07 1r79 s LEU 35 Ca 0.06 -0.32 -0.11 0.00 0.01 0.00 0.00 54.13 53.76 1r79 s LEU 35 Cb -0.03 -1.67 0.04 0.00 0.01 0.00 0.00 46.19 44.55 1r79 s LEU 35 CO 0.24 0.11 1.10 -2.16 1.01 0.00 0.00 176.35 176.64 1r79 s PRO 36 N 0.69 2.37 0.16 1.29 0.04 -1.26 -4.91 135.00 133.38 1r79 s PRO 36 Ca -0.05 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 1r79 s PRO 36 Cb -0.15 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1r79 s PRO 36 CO 0.02 -1.56 1.66 -0.39 0.04 0.00 0.00 177.00 176.76 1r79 h VAL 37 N -0.88 0.54 -0.30 -0.36 -1.51 -2.00 -0.81 116.25 110.93 1r79 h VAL 37 Ca -0.44 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 64.83 1r79 h VAL 37 Cb 1.23 0.54 -0.09 0.00 -2.13 0.00 0.00 31.29 30.84 1r79 h VAL 37 CO 0.52 0.00 0.25 -0.24 -1.23 0.00 0.00 177.57 176.87 1r79 n SER 38 N -5.33 6.04 -4.80 4.19 2.88 -1.26 -4.85 113.62 110.48 1r79 n SER 38 Ca 0.01 -2.82 -0.36 0.00 -1.33 0.00 0.00 58.87 54.38 1r79 n SER 38 Cb 0.24 -1.09 -0.06 0.00 -0.75 0.00 0.00 64.21 62.54 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 -1.10 3.25 0.21 -1.46 0.00 -0.31 -4.98 121.76 117.37 1r79 s ALA 39 Ca 0.20 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1r79 s ALA 39 Cb 0.15 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 1r79 s ALA 39 CO -0.01 0.23 0.03 1.63 0.00 0.00 0.00 175.76 177.64 1r79 n LYS 40 N 0.35 1.10 -4.31 0.00 4.76 -1.26 0.18 118.16 118.98 1r79 n LYS 40 Ca 0.02 -1.64 -0.31 0.00 -2.87 0.00 0.00 58.31 53.50 1r79 n LYS 40 Cb 0.51 0.66 -0.16 0.00 -1.84 0.00 0.00 35.03 34.20 1r79 n LYS 40 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r79 n THR 42 N 4.43 0.00 -0.03 0.00 5.66 0.07 0.16 114.28 124.57 1r79 n THR 42 Ca -0.19 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.76 1r79 n THR 42 Cb 0.51 -0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.11 1r79 n THR 42 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1r79 n VAL 43 N -0.39 0.37 0.00 1.08 0.31 -1.26 -4.82 118.33 113.62 1r79 n VAL 43 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1r79 n VAL 43 Cb 0.04 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1r79 n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r79 n ASP 45 N -0.75 -3.87 -4.31 0.00 8.00 0.43 -4.96 116.55 111.09 1r79 n ASP 45 Ca 0.00 -0.53 -0.18 0.00 0.71 0.00 0.00 54.79 54.79 1r79 n ASP 45 Cb 0.00 -4.23 -0.10 0.00 -0.02 0.00 0.00 41.12 36.77 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 -4.60 1.21 -0.48 -1.24 -0.14 -1.26 -4.75 119.74 108.48 1r79 s LYS 46 Ca 0.18 -1.46 -0.33 0.00 -1.36 0.00 0.00 55.97 53.00 1r79 s LYS 46 Cb -0.02 -1.03 -0.12 0.00 -1.68 0.00 0.00 37.83 34.98 1r79 s LYS 46 CO 0.59 0.18 2.32 0.25 -0.76 0.00 0.00 175.35 177.92 1r79 n THR 47 N -0.05 0.10 -3.35 2.17 -2.24 -1.26 -2.06 114.28 107.59 1r79 n THR 47 Ca -0.11 -0.32 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 1r79 n THR 47 Cb 0.59 -1.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.14 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 -1.81 3.11 3.96 0.00 0.00 -1.26 -4.19 105.19 105.00 1r79 n GLY 49 Ca -0.04 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 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 6.22 0.00 1.61 0.15 -1.26 -5.00 113.70 115.42 1r79 s SER 50 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1r79 s SER 50 Cb 0.00 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1r79 s SER 50 CO 0.00 -0.28 0.91 1.33 1.20 0.00 0.00 173.24 176.39 1r79 n VAL 51 N -1.69 0.00 0.03 4.45 0.24 -1.26 -4.74 118.33 115.36 1r79 n VAL 51 Ca -0.05 1.41 -0.00 0.00 -2.04 0.00 0.00 64.34 63.65 1r79 n VAL 51 Cb 0.57 -2.24 -0.00 0.00 -1.47 0.00 0.00 33.84 30.70 1r79 n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r79 n LEU 52 N -2.02 0.65 -4.75 1.34 -0.00 -1.26 -5.06 117.00 105.90 1r79 n LEU 52 Ca 0.00 0.08 -0.37 0.00 -0.00 0.00 0.00 56.01 55.72 1r79 n LEU 52 Cb 0.00 -0.20 0.04 0.00 -0.00 0.00 0.00 43.42 43.26 1r79 n LEU 52 CO 0.00 -0.42 0.91 0.00 -0.00 0.00 0.00 177.39 177.88 1r79 s ARG 53 N -2.01 3.06 -0.26 1.47 1.70 -1.26 -4.98 118.95 116.66 1r79 s ARG 53 Ca -0.00 2.02 -0.16 0.00 -0.47 0.00 0.00 55.73 57.11 1r79 s ARG 53 Cb 0.00 -2.10 -0.03 0.00 -0.57 0.00 0.00 34.95 32.25 1r79 s ARG 53 CO 0.01 -1.19 0.43 -0.51 -1.08 0.00 0.00 175.30 172.95 1r79 s LEU 54 N -3.79 4.06 0.22 -1.89 1.43 -1.26 -4.45 118.68 113.00 1r79 s LEU 54 Ca 0.74 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1r79 s LEU 54 Cb -0.35 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1r79 s LEU 54 CO 0.40 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.77 1r79 n GLN 55 N 5.31 0.00 -0.92 1.70 10.64 -1.26 -4.57 117.38 128.28 1r79 n GLN 55 Ca -0.07 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.81 1r79 n GLN 55 Cb 0.50 -0.11 -0.00 0.00 -0.86 0.00 0.00 30.24 29.77 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 -3.39 -2.10 -4.46 2.61 8.00 -1.26 -2.89 116.55 113.06 1r79 n ASP 56 Ca 0.00 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.74 1r79 n ASP 56 Cb 0.00 -0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 40.34 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 -1.21 2.68 -0.01 1.24 0.52 -1.15 0.12 118.94 121.13 1r79 s TRP 57 Ca 0.42 -0.19 0.00 0.00 0.02 0.00 0.00 56.10 56.35 1r79 s TRP 57 Cb -0.44 -1.63 0.01 0.00 -1.15 0.00 0.00 33.47 30.26 1r79 s TRP 57 CO 0.45 0.16 0.00 -0.98 0.02 0.00 0.00 176.95 176.60 1r79 s ARG 58 N -0.69 0.08 0.62 4.98 1.70 -1.24 -1.28 118.95 123.13 1r79 s ARG 58 Ca 0.11 0.03 -0.17 0.00 -0.47 0.00 0.00 55.73 55.23 1r79 s ARG 58 Cb -0.11 -0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.07 1r79 s ARG 58 CO 0.01 -0.05 1.13 0.00 -1.08 0.00 0.00 175.30 175.31 1r79 n LEU 60 N -1.97 0.00 -0.03 0.00 0.00 -1.18 -3.28 117.00 110.55 1r79 n LEU 60 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.12 1r79 n LEU 60 Cb 0.51 0.29 -0.00 0.00 0.00 0.00 0.00 43.42 44.23 1r79 n LEU 60 CO 0.45 0.29 0.00 -0.50 0.00 0.00 0.00 177.39 177.64 1r79 h TRP 61 N 0.00 -0.00 0.00 1.96 6.55 -1.88 -3.38 115.95 119.20 1r79 h TRP 61 Ca -0.32 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.52 1r79 h TRP 61 Cb 1.69 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.99 1r79 h TRP 61 CO 0.00 -0.00 -0.18 0.00 -1.05 0.00 0.00 178.44 177.21 1r79 n LYS 63 N -3.00 -4.26 -3.81 0.00 5.02 -1.20 -5.01 118.16 105.89 1r79 n LYS 63 Ca 0.03 0.56 -0.37 0.00 -2.02 0.00 0.00 58.31 56.51 1r79 n LYS 63 Cb 0.53 -4.70 -0.13 0.00 -0.02 0.00 0.00 35.03 30.71 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 -3.24 2.98 -0.04 7.82 0.00 -1.25 -4.83 121.76 123.20 1r79 s ALA 64 Ca 0.01 -1.44 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 1r79 s ALA 64 Cb -0.00 -2.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 1r79 s ALA 64 CO 0.48 -0.88 0.62 -1.64 0.00 0.00 0.00 175.76 174.34 1r79 s MET 65 N 1.46 4.37 0.07 0.00 -1.94 -1.26 -1.46 119.30 120.54 1r79 s MET 65 Ca 0.02 0.76 -0.01 0.00 -1.71 0.00 0.00 55.69 54.75 1r79 s MET 65 Cb -0.17 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 1r79 s MET 65 CO 0.01 0.23 -0.01 0.14 -0.01 0.00 0.00 175.02 175.37 1r79 s VAL 66 N 0.28 0.20 0.36 -6.03 -7.23 -0.40 -0.75 120.40 106.83 1r79 s VAL 66 Ca 0.33 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.51 1r79 s VAL 66 Cb -0.18 -1.61 -0.10 0.00 0.56 0.00 0.00 36.38 35.05 1r79 s VAL 66 CO 0.17 -0.90 0.81 -1.00 -0.31 0.00 0.00 175.10 173.86 1r79 s HIS 67 N -3.94 3.35 0.37 2.82 3.76 -1.26 -2.92 115.29 117.47 1r79 s HIS 67 Ca 0.10 1.34 0.20 0.00 -0.15 0.00 0.00 55.06 56.55 1r79 s HIS 67 Cb 0.08 -2.64 1.25 0.00 1.11 0.00 0.00 32.58 32.38 1r79 s HIS 67 CO -0.08 0.03 1.63 1.79 -0.85 0.00 0.00 174.74 177.25 1r79 h THR 68 N 1.94 0.16 0.00 1.30 1.35 -1.92 0.46 112.91 116.19 1r79 h THR 68 Ca -0.48 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 1r79 h THR 68 Cb 1.18 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1r79 h THR 68 CO 0.64 0.03 -0.31 0.28 -0.25 0.00 0.00 175.52 175.91 1r79 h SER 69 N 0.16 0.00 -1.22 5.36 0.02 -2.03 -3.35 113.55 112.50 1r79 h SER 69 Ca 0.79 -0.28 0.35 0.00 -0.84 0.00 0.00 61.79 61.82 1r79 h SER 69 Cb 2.06 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.54 1r79 h SER 69 CO -0.63 0.81 0.87 0.00 -1.14 0.00 0.00 176.83 176.74 1r79 h LYS 71 N 0.03 -0.51 -0.85 0.00 3.64 -0.25 0.78 116.57 119.42 1r79 h LYS 71 Ca 0.59 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 60.15 1r79 h LYS 71 Cb 2.29 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 34.16 1r79 h LYS 71 CO -0.04 -0.34 0.55 1.05 -2.27 0.00 0.00 179.45 178.41 1r79 h GLU 72 N -0.53 0.57 -0.50 1.90 -0.00 -1.47 -0.92 114.58 113.62 1r79 h GLU 72 Ca 0.04 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1r79 h GLU 72 Cb 0.64 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.24 1r79 h GLU 72 CO -0.44 0.38 0.20 0.77 -0.00 0.00 0.00 179.01 179.91 1r79 h SER 73 N 0.58 0.69 -1.59 3.06 0.02 -0.95 -3.43 113.55 111.94 1r79 h SER 73 Ca 0.43 -0.17 -0.70 0.00 -0.84 0.00 0.00 61.79 60.50 1r79 h SER 73 Cb 0.79 -0.18 0.04 0.00 0.14 0.00 0.00 62.40 63.20 1r79 h SER 73 CO -0.18 0.67 0.53 -0.11 -1.14 0.00 0.00 176.83 176.61 1r79 n LEU 74 N -4.55 1.69 -0.05 5.07 7.94 0.03 -4.87 117.00 122.26 1r79 n LEU 74 Ca 0.02 1.11 -0.07 0.00 -1.11 0.00 0.00 56.01 55.96 1r79 n LEU 74 Cb 0.16 -1.16 -0.06 0.00 0.53 0.00 0.00 43.42 42.89 1r79 n LEU 74 CO 0.38 -0.96 -0.86 0.00 -1.11 0.00 0.00 177.39 174.84 1r79 n LEU 75 N 3.11 1.92 -4.52 -1.96 -0.00 -1.26 -5.02 117.00 109.27 1r79 n LEU 75 Ca 0.20 -0.04 -0.45 0.00 -0.00 0.00 0.00 56.01 55.72 1r79 n LEU 75 Cb 0.17 -0.19 -0.02 0.00 -0.00 0.00 0.00 43.42 43.38 1r79 n LEU 75 CO 0.67 0.53 0.35 0.35 -0.00 0.00 0.00 177.39 179.29 1r79 n THR 76 N -2.67 1.99 -3.08 1.47 -2.24 -1.26 -4.96 114.28 103.53 1r79 n THR 76 Ca -0.19 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.84 1r79 n THR 76 Cb 0.75 -0.64 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.38 3.39 0.58 -0.78 2.47 -1.26 -5.01 119.74 117.76 1r79 s LYS 77 Ca 0.61 -0.22 -0.03 0.00 -1.56 0.00 0.00 55.97 54.76 1r79 s LYS 77 Cb -0.77 -2.56 0.02 0.00 -1.46 0.00 0.00 37.83 33.07 1r79 s LYS 77 CO 0.59 -0.05 0.85 0.00 0.16 0.00 0.00 175.35 176.90 1r79 n SER 79 N -2.51 2.09 0.00 0.00 7.64 -1.26 -4.87 113.62 114.70 1r79 n SER 79 Ca 0.05 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1r79 n SER 79 Cb 0.59 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 2.34 3.53 3.68 0.23 0.00 -1.26 -5.02 105.19 108.69 1r79 n GLY 80 Ca -0.32 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.52 4.25 -0.10 1.61 0.04 -1.26 -4.53 135.00 132.49 1r79 s PRO 81 Ca 0.00 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1r79 s PRO 81 Cb 0.00 -3.68 -0.28 0.00 0.04 0.00 0.00 34.50 30.58 1r79 s PRO 81 CO 0.00 -0.66 0.62 0.77 0.04 0.00 0.00 177.00 177.77 1r79 h SER 82 N 8.28 0.37 -4.41 6.66 0.02 -1.93 -3.49 113.55 119.06 1r79 h SER 82 Ca -0.37 -0.86 -0.00 0.00 -0.84 0.00 0.00 61.79 59.71 1r79 h SER 82 Cb 1.17 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.38 1r79 h SER 82 CO 0.92 1.55 0.32 -0.94 -1.14 0.00 0.00 176.83 177.54 1r79 s SER 83 N -6.99 -0.56 0.00 3.07 1.04 -1.26 -5.26 113.70 103.74 1r79 s SER 83 Ca -0.19 0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1r79 s SER 83 Cb 0.03 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1r79 s SER 83 CO 0.77 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.17