#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 -0.14 0.22 1.61 0.01 -1.26 -5.19 113.70 108.95 1r79 s SER 2 Ca 0.00 -0.63 -0.20 0.00 1.31 0.00 0.00 55.95 56.44 1r79 s SER 2 Cb 0.00 0.62 0.03 0.00 0.21 0.00 0.00 66.02 66.88 1r79 s SER 2 CO 0.00 -1.17 0.60 -0.44 0.41 0.00 0.00 173.24 172.64 1r79 s SER 3 N -3.03 -0.32 0.19 2.44 0.01 -1.26 -5.19 113.70 106.54 1r79 s SER 3 Ca 0.14 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.97 1r79 s SER 3 Cb -0.03 0.63 -0.00 0.00 0.21 0.00 0.00 66.02 66.82 1r79 s SER 3 CO 0.06 -1.13 0.23 0.61 0.41 0.00 0.00 173.24 173.42 1r79 n GLY 4 N -0.39 2.83 3.58 3.44 0.00 -1.26 -5.19 105.19 108.20 1r79 n GLY 4 Ca -0.09 -1.59 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.20 -0.19 0.34 1.61 1.04 -1.26 -5.19 113.70 107.84 1r79 s SER 5 Ca 0.17 0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.49 1r79 s SER 5 Cb -0.00 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1r79 s SER 5 CO 0.12 -0.32 0.66 -0.94 0.98 0.00 0.00 173.24 173.75 1r79 s SER 6 N -2.16 0.15 0.00 7.02 1.04 -1.26 -5.03 113.70 113.47 1r79 s SER 6 Ca 0.08 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1r79 s SER 6 Cb -0.01 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.86 1r79 s SER 6 CO -0.05 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.32 1r79 n GLY 7 N -0.50 0.78 0.33 7.32 0.00 -1.26 -5.05 105.19 106.80 1r79 n GLY 7 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.94 -1.01 2.61 -1.04 -1.26 -4.96 114.28 109.55 1r79 n THR 8 Ca 0.00 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.40 1r79 n THR 8 Cb 0.00 -1.51 -0.10 0.00 -1.82 0.00 0.00 70.33 66.90 1r79 n THR 8 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1r79 n THR 9 N -3.50 0.00 -3.66 12.58 -1.04 -1.26 -4.85 114.28 112.55 1r79 n THR 9 Ca -0.32 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.54 1r79 n THR 9 Cb 0.76 -0.36 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 1r79 n THR 9 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1r79 s LEU 10 N 5.76 -0.19 -0.27 -4.42 2.96 -1.26 -5.17 118.68 116.09 1r79 s LEU 10 Ca 0.93 1.01 -0.25 0.00 -0.22 0.00 0.00 54.13 55.60 1r79 s LEU 10 Cb -0.95 2.01 0.10 0.00 0.50 0.00 0.00 46.19 47.85 1r79 s LEU 10 CO 0.39 -0.29 0.88 0.00 -1.32 0.00 0.00 176.35 176.01 1r79 s ALA 11 N -0.06 -1.88 -0.30 5.97 0.00 -1.26 -5.15 121.76 119.08 1r79 s ALA 11 Ca -0.03 1.93 -0.07 0.00 0.00 0.00 0.00 51.96 53.79 1r79 s ALA 11 Cb -0.04 -1.27 0.18 0.00 0.00 0.00 0.00 23.12 22.00 1r79 s ALA 11 CO 0.03 -0.29 0.81 -1.54 0.00 0.00 0.00 175.76 174.76 1r79 s SER 12 N 0.24 -0.95 0.01 0.00 1.04 -1.26 -5.17 113.70 107.61 1r79 s SER 12 Ca 0.01 0.65 -0.07 0.00 0.48 0.00 0.00 55.95 57.02 1r79 s SER 12 Cb -0.05 1.82 -0.00 0.00 0.10 0.00 0.00 66.02 67.89 1r79 s SER 12 CO -0.02 -0.18 0.14 0.27 0.98 0.00 0.00 173.24 174.43 1r79 s ILE 13 N 2.88 0.09 0.25 -1.02 -5.25 -1.26 -5.17 121.20 111.72 1r79 s ILE 13 Ca 0.10 -0.78 0.07 0.00 -0.99 0.00 0.00 60.65 59.05 1r79 s ILE 13 Cb -0.12 -0.57 -0.04 0.00 2.95 0.00 0.00 42.46 44.68 1r79 s ILE 13 CO -0.17 -0.43 0.20 -0.83 -1.79 0.00 0.00 174.94 171.92 1r79 s GLY 14 N -1.59 1.41 -0.08 6.27 0.00 -1.26 -5.12 107.32 106.95 1r79 s GLY 14 Ca -0.12 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.18 1r79 s GLY 14 CO 0.00 -1.45 -0.02 -1.59 0.00 0.00 0.00 173.10 170.04 1r79 s LYS 15 N -3.82 0.88 -0.27 2.90 0.00 -1.26 -5.11 119.74 113.06 1r79 s LYS 15 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 55.97 56.26 1r79 s LYS 15 Cb -0.08 -1.13 0.16 0.00 0.00 0.00 0.00 37.83 36.78 1r79 s LYS 15 CO 0.25 -0.27 0.51 -0.51 0.00 0.00 0.00 175.35 175.33 1r79 s ASP 16 N 1.79 -0.68 -1.45 0.03 1.01 -1.26 -5.06 116.67 111.05 1r79 s ASP 16 Ca 0.03 0.67 -0.08 0.00 0.71 0.00 0.00 52.55 53.88 1r79 s ASP 16 Cb -0.13 1.72 0.03 0.00 1.01 0.00 0.00 42.92 45.56 1r79 s ASP 16 CO -0.05 -0.27 2.59 -0.38 0.21 0.00 0.00 175.17 177.26 1r79 n ILE 17 N 5.40 4.72 -1.67 0.77 5.41 -1.26 -4.96 119.36 127.77 1r79 n ILE 17 Ca -0.03 -3.54 -0.50 0.00 1.00 0.00 0.00 62.75 59.68 1r79 n ILE 17 Cb 0.50 -2.35 -0.05 0.00 -0.71 0.00 0.00 39.64 37.04 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 2.77 0.51 0.19 1.39 -5.35 -1.26 -4.90 119.36 112.71 1r79 n ILE 18 Ca 0.67 -0.12 -0.08 0.00 -0.27 0.00 0.00 62.75 62.96 1r79 n ILE 18 Cb 0.25 -1.79 -0.04 0.00 -1.74 0.00 0.00 39.64 36.33 1r79 n ILE 18 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r79 h GLU 19 N 9.33 -0.50 -3.22 6.28 4.39 -1.99 -3.48 114.58 125.39 1r79 h GLU 19 Ca -0.47 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 1r79 h GLU 19 Cb 1.28 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 1r79 h GLU 19 CO 0.96 -0.33 0.09 -0.51 -1.16 0.00 0.00 179.01 178.06 1r79 s ASP 20 N -3.79 -0.28 -0.21 1.42 1.01 -1.26 -4.92 116.67 108.64 1r79 s ASP 20 Ca -0.08 -0.51 -0.06 0.00 0.71 0.00 0.00 52.55 52.62 1r79 s ASP 20 Cb 0.01 0.62 -0.20 0.00 1.01 0.00 0.00 42.92 44.36 1r79 s ASP 20 CO 0.23 -1.13 0.01 0.00 0.21 0.00 0.00 175.17 174.49 1r79 n ALA 21 N -0.38 1.14 -0.08 5.23 0.00 -1.26 -4.74 120.51 120.42 1r79 n ALA 21 Ca -0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 53.44 52.43 1r79 n ALA 21 Cb 0.62 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 -3.60 1.85 -3.83 0.00 -0.08 -1.26 -5.02 116.55 104.61 1r79 n ASP 22 Ca -0.41 0.54 -0.12 0.00 -1.51 0.00 0.00 54.79 53.29 1r79 n ASP 22 Cb 0.96 -0.84 -0.13 0.00 2.34 0.00 0.00 41.12 43.45 1r79 n ASP 22 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1r79 s GLY 23 N -4.48 -0.08 0.05 0.27 0.00 -1.26 -5.15 107.32 96.67 1r79 s GLY 23 Ca -0.20 0.30 -0.14 0.00 0.00 0.00 0.00 44.72 44.68 1r79 s GLY 23 CO 0.30 0.27 0.46 -0.42 0.00 0.00 0.00 173.10 173.71 1r79 s ILE 24 N 0.08 4.97 -0.31 0.90 1.09 -1.26 -4.63 121.20 122.03 1r79 s ILE 24 Ca -0.00 0.81 -0.10 0.00 -1.10 0.00 0.00 60.65 60.26 1r79 s ILE 24 Cb -0.01 -3.73 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 1r79 s ILE 24 CO 0.00 0.45 0.16 0.00 -0.10 0.00 0.00 174.94 175.45 1r79 s ALA 25 N -1.22 3.30 -0.38 9.38 0.00 -1.26 -5.07 121.76 126.52 1r79 s ALA 25 Ca 0.29 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 1r79 s ALA 25 Cb -0.16 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1r79 s ALA 25 CO 0.16 -0.86 0.27 -1.64 0.00 0.00 0.00 175.76 173.69 1r79 s MET 26 N 1.63 3.21 0.00 0.00 -1.94 -1.26 -5.08 119.30 115.86 1r79 s MET 26 Ca 0.05 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 1r79 s MET 26 Cb -0.17 -3.89 0.00 0.00 2.01 0.00 0.00 34.83 32.78 1r79 s MET 26 CO 0.07 -0.61 0.00 -0.35 -0.01 0.00 0.00 175.02 174.12 1r79 n PRO 27 N 5.13 -0.48 -3.84 2.03 -0.04 -1.26 -2.51 135.00 134.02 1r79 n PRO 27 Ca -0.12 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.98 1r79 n PRO 27 Cb 0.48 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.73 3.13 -0.90 0.54 3.76 -1.26 -4.34 115.29 115.48 1r79 s HIS 28 Ca 0.00 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.41 1r79 s HIS 28 Cb 0.00 -2.20 -0.00 0.00 1.11 0.00 0.00 32.58 31.49 1r79 s HIS 28 CO 0.00 -0.21 1.72 -1.14 -0.85 0.00 0.00 174.74 174.25 1r79 s GLN 29 N 1.29 2.97 -0.07 1.40 2.00 -1.26 -4.96 119.66 121.03 1r79 s GLN 29 Ca 0.05 -0.49 -0.30 0.00 -2.00 0.00 0.00 55.36 52.62 1r79 s GLN 29 Cb -0.15 -5.04 -0.03 0.00 0.80 0.00 0.00 33.01 28.60 1r79 s GLN 29 CO 0.04 -2.82 1.17 -1.58 -0.50 0.00 0.00 175.29 171.61 1r79 s TRP 30 N 7.88 3.21 -0.38 1.67 0.23 -1.26 -2.99 118.94 127.29 1r79 s TRP 30 Ca 0.59 1.26 -0.06 0.00 -2.03 0.00 0.00 56.10 55.86 1r79 s TRP 30 Cb -0.05 -3.39 0.08 0.00 0.03 0.00 0.00 33.47 30.13 1r79 s TRP 30 CO -0.01 -1.17 0.18 -1.17 0.96 0.00 0.00 176.95 175.74 1r79 s LEU 31 N 2.29 4.84 -0.50 2.99 0.20 -0.82 -4.91 118.68 122.78 1r79 s LEU 31 Ca 0.54 -1.54 -0.45 0.00 0.69 0.00 0.00 54.13 53.38 1r79 s LEU 31 Cb -0.23 -1.89 -0.19 0.00 -0.43 0.00 0.00 46.19 43.45 1r79 s LEU 31 CO 0.21 -0.46 1.90 1.21 -0.29 0.00 0.00 176.35 178.91 1r79 n GLU 32 N 4.77 0.02 0.00 1.98 2.13 -1.26 -3.56 120.64 124.72 1r79 n GLU 32 Ca -0.09 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1r79 n GLU 32 Cb 0.43 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 5.91 0.84 2.28 8.31 0.00 0.26 -4.88 105.19 117.91 1r79 n GLY 33 Ca 0.44 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.42 -2.98 -4.55 1.61 5.15 -1.26 -4.29 115.26 108.51 1r79 n ASN 34 Ca 0.00 -0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.38 1r79 n ASN 34 Cb 0.00 -2.59 -0.12 0.00 -0.53 0.00 0.00 39.78 36.54 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 -3.94 3.21 0.81 1.20 2.01 -1.26 -4.91 118.68 115.81 1r79 s LEU 35 Ca 0.13 -0.06 -0.11 0.00 0.01 0.00 0.00 54.13 54.10 1r79 s LEU 35 Cb -0.06 -1.73 0.08 0.00 0.01 0.00 0.00 46.19 44.49 1r79 s LEU 35 CO 0.33 0.28 1.09 -2.16 1.01 0.00 0.00 176.35 176.91 1r79 s PRO 36 N -0.32 1.94 0.52 1.29 0.04 -1.26 -4.92 135.00 132.29 1r79 s PRO 36 Ca 0.05 1.07 0.17 0.00 0.04 0.00 0.00 61.00 62.32 1r79 s PRO 36 Cb -0.12 -1.87 1.29 0.00 0.04 0.00 0.00 34.50 33.83 1r79 s PRO 36 CO 0.02 -1.83 2.15 -0.24 0.04 0.00 0.00 177.00 177.14 1r79 h VAL 37 N -1.26 0.98 -0.87 -0.36 3.04 -1.99 -2.02 116.25 113.77 1r79 h VAL 37 Ca -0.45 -0.02 -0.61 0.00 -1.01 0.00 0.00 66.70 64.61 1r79 h VAL 37 Cb 1.25 1.01 -0.35 0.00 -2.01 0.00 0.00 31.29 31.19 1r79 h VAL 37 CO 0.52 0.01 0.08 -1.20 -1.01 0.00 0.00 177.57 175.97 1r79 n SER 38 N -4.50 6.28 -4.76 3.17 7.64 -1.26 -4.97 113.62 115.21 1r79 n SER 38 Ca -0.03 -3.77 -0.30 0.00 1.01 0.00 0.00 58.87 55.78 1r79 n SER 38 Cb 0.09 -0.68 0.11 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.71 1.90 -0.21 -0.43 0.00 -0.76 -5.02 121.76 113.53 1r79 s ALA 39 Ca 0.58 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1r79 s ALA 39 Cb 0.46 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 20.49 1r79 s ALA 39 CO 0.01 -2.05 0.56 0.21 0.00 0.00 0.00 175.76 174.49 1r79 s LYS 40 N -5.05 0.63 0.66 0.00 2.47 -1.26 -3.43 119.74 113.75 1r79 s LYS 40 Ca 0.62 0.82 -0.14 0.00 -1.56 0.00 0.00 55.97 55.72 1r79 s LYS 40 Cb -0.16 0.26 -0.00 0.00 -1.46 0.00 0.00 37.83 36.47 1r79 s LYS 40 CO 0.55 -0.09 1.07 0.00 0.16 0.00 0.00 175.35 177.04 1r79 n THR 42 N -2.60 0.00 0.02 0.00 5.66 -0.40 -3.07 114.28 113.88 1r79 n THR 42 Ca 0.09 -0.25 -0.22 0.00 -3.05 0.00 0.00 64.05 60.62 1r79 n THR 42 Cb 0.53 0.67 -0.14 0.00 -1.55 0.00 0.00 70.33 69.84 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 0.79 0.00 1.08 2.07 -1.94 -3.41 116.25 114.84 1r79 h VAL 43 Ca 0.00 -2.39 -0.05 0.00 0.82 0.00 0.00 66.70 65.09 1r79 h VAL 43 Cb 0.35 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1r79 h VAL 43 CO 0.00 0.82 -1.34 0.00 0.02 0.00 0.00 177.57 177.07 1r79 n ASP 45 N -1.93 -2.58 -4.20 0.00 2.03 -1.17 -5.03 116.55 103.66 1r79 n ASP 45 Ca -0.05 -0.22 -0.23 0.00 0.52 0.00 0.00 54.79 54.81 1r79 n ASP 45 Cb 0.39 -2.22 -0.14 0.00 -0.72 0.00 0.00 41.12 38.43 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 -4.85 1.17 0.27 -0.67 -0.14 -1.26 -4.81 119.74 109.45 1r79 s LYS 46 Ca 0.08 -0.87 -0.14 0.00 -1.36 0.00 0.00 55.97 53.68 1r79 s LYS 46 Cb -0.03 -1.24 -0.10 0.00 -1.68 0.00 0.00 37.83 34.77 1r79 s LYS 46 CO 0.27 0.31 0.04 -2.37 -0.76 0.00 0.00 175.35 172.84 1r79 n THR 47 N 1.84 0.36 -4.32 2.17 5.66 -1.26 -2.40 114.28 116.33 1r79 n THR 47 Ca -0.18 -0.33 -0.17 0.00 -3.05 0.00 0.00 64.05 60.32 1r79 n THR 47 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.20 -3.91 3.95 0.00 0.00 -1.26 -4.63 105.19 99.14 1r79 n GLY 49 Ca -0.01 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.08 6.15 -0.01 1.61 0.15 -1.25 -5.06 113.70 115.21 1r79 s SER 50 Ca 0.00 0.38 -0.01 0.00 0.70 0.00 0.00 55.95 57.02 1r79 s SER 50 Cb 0.00 -1.86 -0.00 0.00 -1.71 0.00 0.00 66.02 62.45 1r79 s SER 50 CO 0.00 -0.42 -0.01 0.58 1.20 0.00 0.00 173.24 174.59 1r79 h VAL 51 N 0.66 0.00 -0.81 4.45 2.07 -2.02 -3.38 116.25 117.22 1r79 h VAL 51 Ca -0.49 -0.07 0.29 0.00 0.82 0.00 0.00 66.70 67.25 1r79 h VAL 51 Cb 1.23 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.91 1r79 h VAL 51 CO 0.60 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.70 1r79 n LEU 52 N -2.42 0.14 0.00 2.57 -0.00 -1.26 -4.64 117.00 111.40 1r79 n LEU 52 Ca -0.00 0.87 0.01 0.00 -0.00 0.00 0.00 56.01 56.89 1r79 n LEU 52 Cb 0.02 -0.43 0.01 0.00 -0.00 0.00 0.00 43.42 43.02 1r79 n LEU 52 CO 0.01 -0.96 0.82 -2.11 -0.00 0.00 0.00 177.39 175.15 1r79 n ARG 53 N -3.97 0.27 -3.61 1.47 1.85 -1.26 -5.14 116.66 106.26 1r79 n ARG 53 Ca 0.24 -0.82 -0.37 0.00 -1.00 0.00 0.00 57.85 55.91 1r79 n ARG 53 Cb 0.93 1.24 -0.09 0.00 -1.05 0.00 0.00 32.46 33.49 1r79 n ARG 53 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1r79 s LEU 54 N 0.00 4.14 0.10 2.89 0.05 -1.26 -3.97 118.68 120.63 1r79 s LEU 54 Ca 0.23 0.22 0.00 0.00 0.05 0.00 0.00 54.13 54.63 1r79 s LEU 54 Cb -0.01 -2.19 0.00 0.00 -2.05 0.00 0.00 46.19 41.94 1r79 s LEU 54 CO 0.01 0.06 0.00 0.00 -0.55 0.00 0.00 176.35 175.87 1r79 n GLN 55 N 4.17 0.00 -0.88 1.48 10.64 -1.26 -4.48 117.38 127.04 1r79 n GLN 55 Ca -0.14 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.74 1r79 n GLN 55 Cb 0.52 -0.14 -0.01 0.00 -0.86 0.00 0.00 30.24 29.75 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 -2.99 -1.48 -4.60 2.61 9.92 -1.26 -2.09 116.55 116.66 1r79 n ASP 56 Ca 0.00 0.62 -0.34 0.00 -0.53 0.00 0.00 54.79 54.54 1r79 n ASP 56 Cb 0.08 -0.60 -0.11 0.00 -0.64 0.00 0.00 41.12 39.86 1r79 n ASP 56 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1r79 s TRP 57 N -0.93 3.01 0.00 1.24 0.52 -1.06 0.92 118.94 122.63 1r79 s TRP 57 Ca 0.40 0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.56 1r79 s TRP 57 Cb -0.50 -1.76 -0.00 0.00 -1.15 0.00 0.00 33.47 30.06 1r79 s TRP 57 CO 0.40 0.33 -0.03 -0.98 0.02 0.00 0.00 176.95 176.69 1r79 s ARG 58 N -0.70 0.21 0.57 4.98 1.70 -1.23 -0.71 118.95 123.77 1r79 s ARG 58 Ca 0.11 -0.13 -0.17 0.00 -0.47 0.00 0.00 55.73 55.06 1r79 s ARG 58 Cb -0.11 -0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.05 1r79 s ARG 58 CO 0.02 0.05 1.08 0.00 -1.08 0.00 0.00 175.30 175.37 1r79 n LEU 60 N -1.71 0.10 -0.07 0.00 0.00 -1.16 -3.25 117.00 110.91 1r79 n LEU 60 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 56.01 55.99 1r79 n LEU 60 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.91 1r79 n LEU 60 CO 0.44 0.03 -0.20 -0.50 0.00 0.00 0.00 177.39 177.16 1r79 h TRP 61 N 0.00 0.00 0.00 1.96 6.55 -1.87 -3.39 115.95 119.20 1r79 h TRP 61 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1r79 h TRP 61 Cb 0.67 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.97 1r79 h TRP 61 CO 0.00 0.21 -0.71 0.00 -1.05 0.00 0.00 178.44 176.89 1r79 n LYS 63 N -1.74 -4.13 -3.93 0.00 5.02 -1.20 -5.01 118.16 107.17 1r79 n LYS 63 Ca 0.04 0.77 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 1r79 n LYS 63 Cb 0.38 -5.46 -0.14 0.00 -0.02 0.00 0.00 35.03 29.80 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 -3.33 2.75 -0.07 7.82 0.00 -1.24 -4.84 121.76 122.84 1r79 s ALA 64 Ca 0.19 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 1r79 s ALA 64 Cb -0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1r79 s ALA 64 CO 0.66 -0.76 0.65 -1.64 0.00 0.00 0.00 175.76 174.67 1r79 s MET 65 N 1.37 4.42 0.03 0.00 -1.94 -1.26 -0.97 119.30 120.95 1r79 s MET 65 Ca 0.01 0.79 -0.00 0.00 -1.71 0.00 0.00 55.69 54.78 1r79 s MET 65 Cb -0.16 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1r79 s MET 65 CO -0.04 0.10 -0.03 0.14 -0.01 0.00 0.00 175.02 175.18 1r79 s VAL 66 N 0.71 0.16 0.20 -6.03 -7.23 0.11 -1.28 120.40 107.05 1r79 s VAL 66 Ca 0.35 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1r79 s VAL 66 Cb -0.17 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.86 1r79 s VAL 66 CO 0.17 -0.72 0.90 -1.00 -0.31 0.00 0.00 175.10 174.13 1r79 s HIS 67 N -2.56 3.95 0.23 2.82 3.76 -1.26 -2.55 115.29 119.67 1r79 s HIS 67 Ca -0.06 1.83 0.03 0.00 -0.15 0.00 0.00 55.06 56.71 1r79 s HIS 67 Cb -0.02 -2.93 0.61 0.00 1.11 0.00 0.00 32.58 31.35 1r79 s HIS 67 CO -0.05 0.45 1.13 2.41 -0.85 0.00 0.00 174.74 177.83 1r79 n THR 68 N 1.66 -0.30 0.01 1.30 -1.04 -1.26 0.41 114.28 115.06 1r79 n THR 68 Ca -0.03 1.57 -0.11 0.00 -2.04 0.00 0.00 64.05 63.44 1r79 n THR 68 Cb 0.48 -2.32 -0.09 0.00 -1.82 0.00 0.00 70.33 66.57 1r79 n THR 68 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1r79 h SER 69 N 0.00 -0.10 -0.60 8.00 0.87 -2.03 -3.31 113.55 116.39 1r79 h SER 69 Ca 0.46 -0.50 0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1r79 h SER 69 Cb 1.00 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.88 1r79 h SER 69 CO -0.66 0.53 0.03 0.00 -0.53 0.00 0.00 176.83 176.20 1r79 n LYS 71 N -5.24 -0.07 -0.30 0.00 4.81 0.14 0.26 118.16 117.74 1r79 n LYS 71 Ca 0.09 1.15 0.03 0.00 -0.87 0.00 0.00 58.31 58.70 1r79 n LYS 71 Cb 0.34 -1.71 0.17 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 0.83 -0.07 1.64 4.39 -1.46 -2.30 114.58 117.62 1r79 h GLU 72 Ca 0.35 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1r79 h GLU 72 Cb 0.53 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1r79 h GLU 72 CO -0.75 0.55 0.04 1.03 -1.16 0.00 0.00 179.01 178.72 1r79 h SER 73 N 0.86 0.08 -1.47 1.42 0.87 0.34 -3.42 113.55 112.22 1r79 h SER 73 Ca 0.40 -0.03 -0.75 0.00 -1.23 0.00 0.00 61.79 60.18 1r79 h SER 73 Cb 0.33 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1r79 h SER 73 CO -0.23 0.09 0.90 -0.11 -0.53 0.00 0.00 176.83 176.95 1r79 n LEU 74 N -5.03 2.28 -0.09 2.23 7.94 -0.75 -4.84 117.00 118.75 1r79 n LEU 74 Ca -0.06 1.07 -0.12 0.00 -1.11 0.00 0.00 56.01 55.79 1r79 n LEU 74 Cb 0.04 -1.12 -0.09 0.00 0.53 0.00 0.00 43.42 42.79 1r79 n LEU 74 CO 0.33 -0.46 -1.06 0.00 -1.11 0.00 0.00 177.39 175.08 1r79 n LEU 75 N 5.40 2.52 -4.39 -1.96 -0.00 -1.26 -4.99 117.00 112.32 1r79 n LEU 75 Ca 0.28 -0.08 -0.40 0.00 -0.00 0.00 0.00 56.01 55.80 1r79 n LEU 75 Cb 0.11 -0.48 0.01 0.00 -0.00 0.00 0.00 43.42 43.07 1r79 n LEU 75 CO 0.82 0.73 -0.17 0.35 -0.00 0.00 0.00 177.39 179.12 1r79 n THR 76 N -2.94 1.34 -2.89 1.47 -2.24 -1.26 -4.97 114.28 102.79 1r79 n THR 76 Ca -0.30 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 1r79 n THR 76 Cb 0.85 -0.38 0.02 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.50 2.99 0.47 -0.78 1.02 -1.26 -4.99 119.74 115.68 1r79 s LYS 77 Ca 0.63 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 56.12 1r79 s LYS 77 Cb -0.54 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1r79 s LYS 77 CO 0.59 -0.36 0.71 0.00 -0.92 0.00 0.00 175.35 175.37 1r79 n SER 79 N -2.16 1.98 0.00 0.00 7.64 -1.26 -4.56 113.62 115.26 1r79 n SER 79 Ca 0.01 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1r79 n SER 79 Cb 0.57 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.70 2.97 0.54 0.23 0.00 -1.26 -4.91 105.19 104.46 1r79 n GLY 80 Ca -0.36 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 43.64 1r79 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1r79 n PRO 81 N -1.32 -1.35 -4.37 1.61 -0.04 -1.26 -4.59 135.00 123.66 1r79 n PRO 81 Ca 0.00 -0.27 -0.24 0.00 -0.04 0.00 0.00 63.50 62.95 1r79 n PRO 81 Cb 0.00 -0.25 -0.12 0.00 -0.04 0.00 0.00 33.50 33.09 1r79 n PRO 81 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r79 s SER 82 N -1.96 3.04 -1.00 3.54 1.04 -1.26 -5.07 113.70 112.02 1r79 s SER 82 Ca 0.11 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.46 1r79 s SER 82 Cb -0.01 -0.20 0.06 0.00 0.10 0.00 0.00 66.02 65.97 1r79 s SER 82 CO 0.08 0.05 1.40 -0.55 0.98 0.00 0.00 173.24 175.20 1r79 s SER 83 N -2.61 6.52 0.00 7.02 0.15 -1.26 -5.22 113.70 118.29 1r79 s SER 83 Ca 0.17 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1r79 s SER 83 Cb -0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1r79 s SER 83 CO 0.08 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.69