#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 0.12 -0.07 1.61 1.04 -1.26 -5.18 113.70 109.96 1r79 s SER 2 Ca 0.00 -1.03 -0.32 0.00 0.48 0.00 0.00 55.95 55.08 1r79 s SER 2 Cb 0.00 0.40 0.12 0.00 0.10 0.00 0.00 66.02 66.64 1r79 s SER 2 CO 0.00 -0.86 1.23 -0.94 0.98 0.00 0.00 173.24 173.65 1r79 s SER 3 N -3.01 -0.10 0.00 7.02 1.04 -1.26 -5.19 113.70 112.19 1r79 s SER 3 Ca 0.22 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1r79 s SER 3 Cb 0.05 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1r79 s SER 3 CO 0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1r79 n GLY 4 N -0.33 0.75 3.53 7.32 0.00 -1.26 -5.19 105.19 110.01 1r79 n GLY 4 Ca -0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 0.08 -0.03 1.61 1.04 -1.26 -5.18 113.70 109.96 1r79 s SER 5 Ca 0.00 -1.07 -0.06 0.00 0.48 0.00 0.00 55.95 55.30 1r79 s SER 5 Cb 0.00 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1r79 s SER 5 CO 0.00 -1.14 0.13 -0.55 0.98 0.00 0.00 173.24 172.66 1r79 s SER 6 N -3.07 -0.06 0.23 7.02 0.15 -1.26 -5.17 113.70 111.54 1r79 s SER 6 Ca 0.26 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.92 1r79 s SER 6 Cb 0.00 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1r79 s SER 6 CO 0.11 -0.18 0.27 -0.83 1.20 0.00 0.00 173.24 173.80 1r79 s GLY 7 N -0.56 1.20 -0.19 9.45 0.00 -1.26 -5.17 107.32 110.79 1r79 s GLY 7 Ca -0.06 -1.45 -0.13 0.00 0.00 0.00 0.00 44.72 43.08 1r79 s GLY 7 CO 0.01 -1.14 0.48 -1.08 0.00 0.00 0.00 173.10 171.37 1r79 s THR 8 N -4.02 -0.01 -0.17 0.90 -1.32 -1.26 -5.14 115.64 104.61 1r79 s THR 8 Ca 0.33 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.86 1r79 s THR 8 Cb 0.04 -0.70 0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1r79 s THR 8 CO 0.12 0.02 -0.04 0.42 -2.21 0.00 0.00 174.62 172.93 1r79 s THR 9 N 1.10 1.08 -0.30 5.08 -4.23 -1.26 -5.09 115.64 112.03 1r79 s THR 9 Ca -0.07 -0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1r79 s THR 9 Cb -0.06 -1.30 0.18 0.00 1.34 0.00 0.00 72.50 72.65 1r79 s THR 9 CO -0.10 0.07 0.65 -0.22 -0.54 0.00 0.00 174.62 174.48 1r79 s LEU 10 N 1.63 -1.28 -0.21 4.79 1.98 -1.26 -5.14 118.68 119.19 1r79 s LEU 10 Ca -0.00 0.91 -0.06 0.00 -2.89 0.00 0.00 54.13 52.09 1r79 s LEU 10 Cb -0.16 2.12 0.10 0.00 0.66 0.00 0.00 46.19 48.91 1r79 s LEU 10 CO -0.07 -0.24 0.42 0.00 -1.89 0.00 0.00 176.35 174.57 1r79 s ALA 11 N 2.87 -1.21 -0.04 5.97 0.00 -1.26 -5.15 121.76 122.94 1r79 s ALA 11 Ca 0.16 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1r79 s ALA 11 Cb -0.14 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1r79 s ALA 11 CO -0.20 -0.90 -0.14 -1.12 0.00 0.00 0.00 175.76 173.41 1r79 s SER 12 N 2.62 1.74 0.06 0.00 0.01 -1.26 -5.14 113.70 111.73 1r79 s SER 12 Ca 0.02 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.04 1r79 s SER 12 Cb -0.13 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1r79 s SER 12 CO -0.14 0.11 -0.10 0.27 0.41 0.00 0.00 173.24 173.79 1r79 s ILE 13 N 0.12 0.81 0.00 1.44 -5.25 -1.26 -5.10 121.20 111.97 1r79 s ILE 13 Ca -0.04 -1.28 0.00 0.00 -0.99 0.00 0.00 60.65 58.34 1r79 s ILE 13 Cb -0.10 -0.93 0.00 0.00 2.95 0.00 0.00 42.46 44.37 1r79 s ILE 13 CO 0.01 -0.37 0.00 0.61 -1.79 0.00 0.00 174.94 173.40 1r79 n GLY 14 N 1.19 3.17 3.08 6.27 0.00 -1.26 -5.17 105.19 112.49 1r79 n GLY 14 Ca -0.21 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1r79 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r79 s LYS 15 N -2.82 0.71 -0.25 1.61 0.00 -1.26 -5.13 119.74 112.60 1r79 s LYS 15 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 55.97 55.11 1r79 s LYS 15 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 37.83 37.17 1r79 s LYS 15 CO 0.00 0.15 0.68 -0.51 0.00 0.00 0.00 175.35 175.68 1r79 s ASP 16 N -1.08 6.65 0.12 0.03 1.01 -1.26 -5.04 116.67 117.09 1r79 s ASP 16 Ca -0.02 0.80 -0.27 0.00 0.71 0.00 0.00 52.55 53.76 1r79 s ASP 16 Cb -0.07 -2.36 -0.07 0.00 1.01 0.00 0.00 42.92 41.43 1r79 s ASP 16 CO 0.01 -0.41 0.85 -0.63 0.21 0.00 0.00 175.17 175.20 1r79 s ILE 17 N 2.59 4.49 0.24 0.77 -1.09 -1.26 -5.00 121.20 121.95 1r79 s ILE 17 Ca 0.28 1.85 -0.31 0.00 -2.23 0.00 0.00 60.65 60.24 1r79 s ILE 17 Cb -0.15 -4.21 -0.12 0.00 -1.58 0.00 0.00 42.46 36.39 1r79 s ILE 17 CO 0.08 0.40 1.67 0.27 -1.23 0.00 0.00 174.94 176.13 1r79 s ILE 18 N -0.42 2.05 0.90 2.92 -0.00 -1.26 -4.99 121.20 120.40 1r79 s ILE 18 Ca 0.41 0.04 -0.14 0.00 -0.00 0.00 0.00 60.65 60.96 1r79 s ILE 18 Cb -0.23 -3.02 0.14 0.00 -0.00 0.00 0.00 42.46 39.35 1r79 s ILE 18 CO 0.27 0.00 1.22 -1.61 -0.00 0.00 0.00 174.94 174.82 1r79 s GLU 19 N 0.49 1.22 0.83 0.37 0.41 -1.26 -5.02 118.70 115.74 1r79 s GLU 19 Ca 0.70 -0.05 -0.12 0.00 -0.41 0.00 0.00 54.97 55.09 1r79 s GLU 19 Cb -0.49 -1.88 0.10 0.00 -1.78 0.00 0.00 34.13 30.08 1r79 s GLU 19 CO 0.39 -2.08 1.19 -0.51 -0.49 0.00 0.00 175.26 173.75 1r79 s ASP 20 N -4.57 3.46 -0.06 -0.19 1.11 -1.26 -4.97 116.67 110.20 1r79 s ASP 20 Ca 0.67 2.30 -0.22 0.00 0.18 0.00 0.00 52.55 55.48 1r79 s ASP 20 Cb -0.09 -2.58 -0.18 0.00 1.07 0.00 0.00 42.92 41.14 1r79 s ASP 20 CO 0.51 -2.75 0.91 0.00 1.18 0.00 0.00 175.17 175.02 1r79 h ALA 21 N -1.14 -0.14 -3.55 5.23 0.00 -2.03 -3.46 119.26 114.18 1r79 h ALA 21 Ca -0.45 -0.26 -0.47 0.00 0.00 0.00 0.00 54.91 53.72 1r79 h ALA 21 Cb 1.29 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.80 1r79 h ALA 21 CO 0.45 -0.24 -0.80 0.16 0.00 0.00 0.00 179.25 178.82 1r79 s ASP 22 N -5.62 1.48 -0.30 0.00 -4.77 -1.26 -4.94 116.67 101.26 1r79 s ASP 22 Ca -0.14 -0.24 -0.07 0.00 -3.30 0.00 0.00 52.55 48.81 1r79 s ASP 22 Cb 0.00 -0.61 0.01 0.00 -1.09 0.00 0.00 42.92 41.23 1r79 s ASP 22 CO 0.53 0.03 0.24 0.61 0.70 0.00 0.00 175.17 177.28 1r79 n GLY 23 N 3.70 -2.62 3.76 2.12 0.00 -1.26 -4.91 105.19 105.97 1r79 n GLY 23 Ca -0.22 0.67 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.82 2.15 -0.13 -0.61 -1.09 -1.26 -4.94 121.20 113.50 1r79 s ILE 24 Ca 0.10 0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 1r79 s ILE 24 Cb -0.03 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1r79 s ILE 24 CO 0.63 0.02 -0.17 0.00 -1.23 0.00 0.00 174.94 174.20 1r79 s ALA 25 N -0.30 1.90 -0.20 9.38 0.00 -1.26 -5.09 121.76 126.19 1r79 s ALA 25 Ca 0.60 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 1r79 s ALA 25 Cb -0.47 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1r79 s ALA 25 CO 0.51 -0.16 -0.12 -1.64 0.00 0.00 0.00 175.76 174.36 1r79 s MET 26 N 1.09 3.20 0.00 0.00 -1.94 -1.26 -5.02 119.30 115.37 1r79 s MET 26 Ca -0.03 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 1r79 s MET 26 Cb -0.14 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.89 1r79 s MET 26 CO -0.05 -0.19 0.00 -0.35 -0.01 0.00 0.00 175.02 174.42 1r79 n PRO 27 N 4.69 -0.94 -3.62 2.03 -0.04 -1.26 -3.57 135.00 132.29 1r79 n PRO 27 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.90 1r79 n PRO 27 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.96 3.32 -0.94 0.54 3.76 -1.26 -4.65 115.29 115.10 1r79 s HIS 28 Ca 0.00 0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.95 1r79 s HIS 28 Cb 0.00 -2.31 0.03 0.00 1.11 0.00 0.00 32.58 31.41 1r79 s HIS 28 CO 0.00 0.05 1.54 -1.14 -0.85 0.00 0.00 174.74 174.34 1r79 s GLN 29 N 1.10 3.30 -0.11 1.40 2.00 -1.26 -4.97 119.66 121.12 1r79 s GLN 29 Ca 0.09 -0.77 -0.29 0.00 -2.00 0.00 0.00 55.36 52.39 1r79 s GLN 29 Cb -0.14 -5.11 -0.01 0.00 0.80 0.00 0.00 33.01 28.56 1r79 s GLN 29 CO 0.05 -2.45 1.00 -1.58 -0.50 0.00 0.00 175.29 171.81 1r79 s TRP 30 N 6.22 3.51 -0.28 1.67 0.23 -1.26 -1.74 118.94 127.30 1r79 s TRP 30 Ca 0.50 1.58 0.03 0.00 -2.03 0.00 0.00 56.10 56.18 1r79 s TRP 30 Cb -0.03 -3.18 0.07 0.00 0.03 0.00 0.00 33.47 30.36 1r79 s TRP 30 CO -0.04 -0.22 -0.06 -0.51 0.96 0.00 0.00 176.95 177.08 1r79 s LEU 31 N 1.99 3.81 0.10 2.99 1.02 -0.98 -4.90 118.68 122.72 1r79 s LEU 31 Ca 0.48 -1.58 -0.34 0.00 0.02 0.00 0.00 54.13 52.70 1r79 s LEU 31 Cb -0.18 -1.58 -0.18 0.00 0.02 0.00 0.00 46.19 44.27 1r79 s LEU 31 CO 0.18 -0.24 0.90 1.21 0.02 0.00 0.00 176.35 178.42 1r79 n GLU 32 N 4.40 0.24 0.00 1.70 2.13 -1.26 -3.82 120.64 124.03 1r79 n GLU 32 Ca -0.10 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1r79 n GLU 32 Cb 0.42 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.72 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 1.78 0.95 1.95 8.31 0.00 0.40 -4.89 105.19 113.70 1r79 n GLY 33 Ca 0.18 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.07 -2.76 -4.42 1.61 2.85 -1.26 -4.59 115.26 103.62 1r79 n ASN 34 Ca 0.00 -0.17 -0.33 0.00 -0.11 0.00 0.00 54.58 53.97 1r79 n ASN 34 Cb 0.00 -1.86 -0.14 0.00 1.24 0.00 0.00 39.78 39.02 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 -3.05 2.66 1.05 1.20 2.01 -1.26 -4.95 118.68 116.33 1r79 s LEU 35 Ca 0.10 -0.27 -0.14 0.00 0.01 0.00 0.00 54.13 53.83 1r79 s LEU 35 Cb -0.04 -1.55 0.21 0.00 0.01 0.00 0.00 46.19 44.82 1r79 s LEU 35 CO 0.22 0.28 1.10 -2.16 1.01 0.00 0.00 176.35 176.79 1r79 s PRO 36 N -0.32 0.03 0.11 1.29 0.04 -1.26 -4.95 135.00 129.94 1r79 s PRO 36 Ca 0.02 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.30 1r79 s PRO 36 Cb -0.13 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 1r79 s PRO 36 CO 0.03 -2.97 1.49 -0.24 0.04 0.00 0.00 177.00 175.34 1r79 h VAL 37 N -2.06 1.29 -0.83 -0.36 3.04 -2.00 -3.04 116.25 112.28 1r79 h VAL 37 Ca -0.53 -1.25 -0.50 0.00 -1.01 0.00 0.00 66.70 63.41 1r79 h VAL 37 Cb 1.33 1.38 -0.25 0.00 -2.01 0.00 0.00 31.29 31.73 1r79 h VAL 37 CO 0.54 0.41 0.65 -1.20 -1.01 0.00 0.00 177.57 176.95 1r79 n SER 38 N -4.36 5.57 -4.72 3.17 7.64 -1.26 -4.93 113.62 114.73 1r79 n SER 38 Ca -0.02 -3.46 -0.30 0.00 1.01 0.00 0.00 58.87 56.10 1r79 n SER 38 Cb 0.38 -0.90 0.13 0.00 -1.01 0.00 0.00 64.21 62.81 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 -2.98 1.71 0.04 -0.43 0.00 -1.15 -4.99 121.76 113.95 1r79 s ALA 39 Ca 0.51 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 1r79 s ALA 39 Cb 0.41 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.29 1r79 s ALA 39 CO 0.04 -2.25 0.28 0.21 0.00 0.00 0.00 175.76 174.04 1r79 s LYS 40 N -4.87 0.76 0.42 0.00 2.47 -1.26 -3.01 119.74 114.26 1r79 s LYS 40 Ca 0.63 -0.50 -0.02 0.00 -1.56 0.00 0.00 55.97 54.53 1r79 s LYS 40 Cb -0.19 0.33 -0.03 0.00 -1.46 0.00 0.00 37.83 36.48 1r79 s LYS 40 CO 0.57 -0.24 0.68 0.00 0.16 0.00 0.00 175.35 176.52 1r79 n THR 42 N -2.05 0.17 0.08 0.00 5.66 -0.77 -3.30 114.28 114.07 1r79 n THR 42 Ca -0.01 -0.23 -0.22 0.00 -3.05 0.00 0.00 64.05 60.54 1r79 n THR 42 Cb 0.56 -0.06 -0.15 0.00 -1.55 0.00 0.00 70.33 69.13 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 1.35 0.00 1.08 2.07 -1.96 -3.39 116.25 115.40 1r79 h VAL 43 Ca -0.07 -2.58 -0.14 0.00 0.82 0.00 0.00 66.70 64.74 1r79 h VAL 43 Cb 0.73 3.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 1r79 h VAL 43 CO 0.00 0.76 -1.70 0.00 0.02 0.00 0.00 177.57 176.65 1r79 n ASP 45 N -2.25 -3.14 -4.38 0.00 2.03 -1.21 -5.04 116.55 102.56 1r79 n ASP 45 Ca -0.13 -0.12 -0.26 0.00 0.52 0.00 0.00 54.79 54.80 1r79 n ASP 45 Cb 0.68 -1.92 -0.12 0.00 -0.72 0.00 0.00 41.12 39.04 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1r79 s LYS 46 N -5.10 1.39 0.22 -0.67 1.02 -1.26 -4.79 119.74 110.55 1r79 s LYS 46 Ca 0.13 -1.41 -0.19 0.00 0.02 0.00 0.00 55.97 54.53 1r79 s LYS 46 Cb -0.06 -1.71 -0.12 0.00 -0.52 0.00 0.00 37.83 35.42 1r79 s LYS 46 CO 0.16 0.38 0.24 -2.37 -0.92 0.00 0.00 175.35 172.84 1r79 n THR 47 N 0.57 1.03 -4.06 2.17 5.66 -1.26 -2.24 114.28 116.14 1r79 n THR 47 Ca -0.15 -0.38 -0.13 0.00 -3.05 0.00 0.00 64.05 60.34 1r79 n THR 47 Cb 0.55 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.20 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 2.07 3.54 3.46 0.00 0.00 -1.26 -4.06 105.19 108.94 1r79 n GLY 49 Ca -0.19 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 0.56 0.00 1.61 1.04 -1.26 -4.98 113.70 110.67 1r79 s SER 50 Ca 0.00 1.26 0.04 0.00 0.48 0.00 0.00 55.95 57.72 1r79 s SER 50 Cb 0.00 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 64.21 1r79 s SER 50 CO 0.00 -4.42 0.46 0.55 0.98 0.00 0.00 173.24 170.81 1r79 n VAL 51 N -5.04 0.00 0.02 5.02 3.14 -1.26 -4.89 118.33 115.32 1r79 n VAL 51 Ca 0.05 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1r79 n VAL 51 Cb 0.56 1.05 0.00 0.00 -1.06 0.00 0.00 33.84 34.40 1r79 n VAL 51 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1r79 n LEU 52 N -0.23 0.04 -4.06 6.55 4.32 -1.26 -5.08 117.00 117.28 1r79 n LEU 52 Ca 0.02 0.07 -0.32 0.00 -0.02 0.00 0.00 56.01 55.76 1r79 n LEU 52 Cb 0.08 0.03 -0.16 0.00 -1.62 0.00 0.00 43.42 41.76 1r79 n LEU 52 CO 0.04 -0.55 -0.49 -0.60 -1.22 0.00 0.00 177.39 174.56 1r79 s ARG 53 N -1.18 2.52 -0.41 3.23 3.52 -1.26 -5.07 118.95 120.30 1r79 s ARG 53 Ca 0.00 -0.85 -0.41 0.00 -0.13 0.00 0.00 55.73 54.34 1r79 s ARG 53 Cb 0.00 -2.48 -0.16 0.00 -1.56 0.00 0.00 34.95 30.75 1r79 s ARG 53 CO 0.00 -0.32 2.02 1.28 -0.81 0.00 0.00 175.30 177.47 1r79 n LEU 54 N 4.64 1.56 -0.01 -0.88 4.77 -1.26 -4.76 117.00 121.06 1r79 n LEU 54 Ca -0.18 0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 56.52 1r79 n LEU 54 Cb 0.48 -1.06 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 1r79 n LEU 54 CO 0.23 -0.70 -0.54 0.00 -1.33 0.00 0.00 177.39 175.05 1r79 n GLN 55 N 6.92 0.03 -1.00 3.23 10.64 -1.26 -3.42 117.38 132.52 1r79 n GLN 55 Ca 0.42 0.01 -0.35 0.00 -1.83 0.00 0.00 57.00 55.26 1r79 n GLN 55 Cb 0.08 -0.90 0.03 0.00 -0.86 0.00 0.00 30.24 28.58 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 -2.67 -5.08 -4.46 2.61 8.00 -1.26 -2.45 116.55 111.24 1r79 n ASP 56 Ca -0.02 0.29 -0.28 0.00 0.71 0.00 0.00 54.79 55.49 1r79 n ASP 56 Cb 0.52 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.88 2.43 -0.07 1.24 0.52 -1.14 0.15 118.94 120.20 1r79 s TRP 57 Ca 0.42 -0.31 -0.15 0.00 0.02 0.00 0.00 56.10 56.08 1r79 s TRP 57 Cb -0.25 -1.25 0.03 0.00 -1.15 0.00 0.00 33.47 30.85 1r79 s TRP 57 CO 0.74 0.43 0.35 -0.98 0.02 0.00 0.00 176.95 177.51 1r79 s ARG 58 N -2.41 0.58 0.33 4.98 1.70 -1.25 -1.31 118.95 121.57 1r79 s ARG 58 Ca 0.19 0.12 -0.28 0.00 -0.47 0.00 0.00 55.73 55.29 1r79 s ARG 58 Cb -0.09 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 1r79 s ARG 58 CO 0.10 -0.13 1.16 0.00 -1.08 0.00 0.00 175.30 175.35 1r79 n LEU 60 N 0.73 0.68 0.01 0.00 7.94 -0.71 -2.97 117.00 122.68 1r79 n LEU 60 Ca 0.01 -0.07 -0.01 0.00 -1.11 0.00 0.00 56.01 54.82 1r79 n LEU 60 Cb 0.45 -0.19 -0.00 0.00 0.53 0.00 0.00 43.42 44.20 1r79 n LEU 60 CO 0.54 0.13 -0.09 0.79 -1.11 0.00 0.00 177.39 177.65 1r79 n TRP 61 N -0.98 0.00 1.56 1.96 8.01 -1.26 -4.69 117.44 122.03 1r79 n TRP 61 Ca 0.11 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 1r79 n TRP 61 Cb 0.32 -0.07 0.01 0.00 -2.01 0.00 0.00 31.31 29.57 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 -0.27 -0.94 -3.73 0.00 2.85 -1.16 -4.85 118.16 110.06 1r79 n LYS 63 Ca 0.01 0.03 -0.37 0.00 -1.05 0.00 0.00 58.31 56.93 1r79 n LYS 63 Cb 0.12 -1.90 -0.12 0.00 -0.65 0.00 0.00 35.03 32.47 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 -3.79 3.18 0.08 0.58 0.00 -1.25 -4.80 121.76 115.76 1r79 s ALA 64 Ca 0.02 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 1r79 s ALA 64 Cb -0.01 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 1r79 s ALA 64 CO 0.55 -0.65 0.47 -1.64 0.00 0.00 0.00 175.76 174.49 1r79 s MET 65 N 1.60 3.93 -0.08 0.00 -1.94 -1.26 -0.60 119.30 120.95 1r79 s MET 65 Ca 0.05 0.42 -0.19 0.00 -1.71 0.00 0.00 55.69 54.26 1r79 s MET 65 Cb -0.16 -3.07 0.04 0.00 2.01 0.00 0.00 34.83 33.65 1r79 s MET 65 CO 0.04 0.58 0.44 0.14 -0.01 0.00 0.00 175.02 176.22 1r79 s VAL 66 N -1.29 0.03 0.44 -6.03 -7.23 -0.43 -1.84 120.40 104.04 1r79 s VAL 66 Ca 0.31 -0.21 -0.23 0.00 -1.81 0.00 0.00 61.98 60.04 1r79 s VAL 66 Cb -0.16 -0.71 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 1r79 s VAL 66 CO 0.17 -0.12 1.12 -1.00 -0.31 0.00 0.00 175.10 174.97 1r79 s HIS 67 N -0.76 3.01 0.30 2.82 3.76 -1.26 -2.88 115.29 120.28 1r79 s HIS 67 Ca -0.08 1.57 0.08 0.00 -0.15 0.00 0.00 55.06 56.47 1r79 s HIS 67 Cb -0.03 -3.28 0.88 0.00 1.11 0.00 0.00 32.58 31.25 1r79 s HIS 67 CO 0.04 -1.18 1.44 0.25 -0.85 0.00 0.00 174.74 174.44 1r79 n THR 68 N -0.38 -0.38 -0.04 1.30 -2.24 -1.26 0.04 114.28 111.33 1r79 n THR 68 Ca 0.07 1.96 -0.14 0.00 -2.27 0.00 0.00 64.05 63.67 1r79 n THR 68 Cb 0.49 -2.97 -0.12 0.00 -2.10 0.00 0.00 70.33 65.63 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 0.11 -0.48 3.42 0.87 -2.03 -3.33 113.55 112.12 1r79 h SER 69 Ca 0.63 -0.79 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1r79 h SER 69 Cb 1.45 -0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 63.29 1r79 h SER 69 CO -0.81 0.89 -0.07 0.00 -0.53 0.00 0.00 176.83 176.31 1r79 n LYS 71 N -5.30 -0.18 -0.33 0.00 4.81 0.98 0.24 118.16 118.38 1r79 n LYS 71 Ca 0.04 1.14 0.07 0.00 -0.87 0.00 0.00 58.31 58.70 1r79 n LYS 71 Cb 0.26 -1.69 0.23 0.00 0.02 0.00 0.00 35.03 33.85 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 0.80 -0.17 1.64 4.39 -1.54 -1.78 114.58 117.91 1r79 h GLU 72 Ca 0.25 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1r79 h GLU 72 Cb 0.44 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1r79 h GLU 72 CO -0.73 0.53 0.08 0.77 -1.16 0.00 0.00 179.01 178.49 1r79 h SER 73 N 0.82 0.22 -1.32 1.42 0.02 0.31 -3.44 113.55 111.59 1r79 h SER 73 Ca 0.48 -0.14 -0.72 0.00 -0.84 0.00 0.00 61.79 60.57 1r79 h SER 73 Cb 0.57 -0.06 0.07 0.00 0.14 0.00 0.00 62.40 63.12 1r79 h SER 73 CO -0.31 0.30 0.09 -0.11 -1.14 0.00 0.00 176.83 175.67 1r79 n LEU 74 N -4.88 0.44 0.00 5.07 7.94 -0.47 -4.86 117.00 120.24 1r79 n LEU 74 Ca -0.04 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 1r79 n LEU 74 Cb 0.10 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1r79 n LEU 74 CO 0.35 -1.77 -0.38 0.00 -1.11 0.00 0.00 177.39 174.48 1r79 n LEU 75 N 1.87 0.62 -4.43 -1.96 -0.00 -1.26 -5.00 117.00 106.83 1r79 n LEU 75 Ca 0.18 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.78 1r79 n LEU 75 Cb 0.16 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.59 1r79 n LEU 75 CO 0.61 0.10 -0.01 0.35 -0.00 0.00 0.00 177.39 178.44 1r79 n THR 76 N -1.80 1.64 -2.64 1.47 -2.24 -1.26 -4.95 114.28 104.50 1r79 n THR 76 Ca 0.00 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1r79 n THR 76 Cb 0.38 -0.49 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1r79 n THR 76 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1r79 s LYS 77 N -1.57 3.54 0.64 -0.78 0.00 -1.26 -5.00 119.74 115.31 1r79 s LYS 77 Ca 0.63 0.20 -0.02 0.00 0.00 0.00 0.00 55.97 56.78 1r79 s LYS 77 Cb -0.58 -2.38 0.06 0.00 0.00 0.00 0.00 37.83 34.94 1r79 s LYS 77 CO 0.58 -0.20 0.90 0.00 0.00 0.00 0.00 175.35 176.63 1r79 n SER 79 N -2.65 1.83 0.00 0.00 3.41 -1.26 -4.72 113.62 110.24 1r79 n SER 79 Ca 0.09 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1r79 n SER 79 Cb 0.60 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1r79 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r79 n GLY 80 N 2.10 3.06 0.26 5.00 0.00 -1.26 -4.89 105.19 109.46 1r79 n GLY 80 Ca -0.36 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.54 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 0.90 -1.84 1.61 0.13 -1.91 -3.43 132.00 127.46 1r79 h PRO 81 Ca 0.00 -0.48 0.26 0.00 -0.87 0.00 0.00 66.00 64.91 1r79 h PRO 81 Cb 0.00 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 1r79 h PRO 81 CO 0.00 1.13 0.68 -1.54 -0.23 0.00 0.00 178.00 178.04 1r79 s SER 82 N -6.85 -0.11 0.01 1.44 1.04 -1.26 -5.06 113.70 102.90 1r79 s SER 82 Ca -0.11 -0.25 -0.23 0.00 0.48 0.00 0.00 55.95 55.84 1r79 s SER 82 Cb 0.11 0.30 -0.13 0.00 0.10 0.00 0.00 66.02 66.41 1r79 s SER 82 CO 0.88 -0.56 1.04 0.28 0.98 0.00 0.00 173.24 175.85 1r79 h SER 83 N 2.00 -0.72 0.00 7.02 0.02 -1.96 -3.54 113.55 116.37 1r79 h SER 83 Ca -0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1r79 h SER 83 Cb 1.21 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1r79 h SER 83 CO 0.27 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.20