#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 -0.18 0.05 1.61 1.04 -1.26 -5.19 113.70 109.77 1r79 s SER 2 Ca 0.00 0.30 -0.20 0.00 0.48 0.00 0.00 55.95 56.54 1r79 s SER 2 Cb 0.00 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.45 1r79 s SER 2 CO 0.00 -0.10 0.46 -0.44 0.98 0.00 0.00 173.24 174.14 1r79 s SER 3 N -0.31 -0.35 0.00 7.02 0.01 -1.26 -5.18 113.70 113.63 1r79 s SER 3 Ca 0.05 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1r79 s SER 3 Cb -0.03 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1r79 s SER 3 CO -0.09 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1r79 n GLY 4 N 0.43 1.78 3.61 3.44 0.00 -1.26 -5.18 105.19 108.02 1r79 n GLY 4 Ca -0.18 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.53 -0.24 1.61 1.04 -1.26 -5.18 113.70 109.14 1r79 s SER 5 Ca 0.00 0.91 -0.29 0.00 0.48 0.00 0.00 55.95 57.05 1r79 s SER 5 Cb 0.00 0.89 0.17 0.00 0.10 0.00 0.00 66.02 67.17 1r79 s SER 5 CO 0.00 -0.25 1.23 -0.55 0.98 0.00 0.00 173.24 174.65 1r79 s SER 6 N -0.10 -0.17 0.00 7.02 0.15 -1.26 -5.16 113.70 114.18 1r79 s SER 6 Ca 0.00 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1r79 s SER 6 Cb -0.04 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1r79 s SER 6 CO -0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1r79 n GLY 7 N 0.78 3.32 3.41 9.45 0.00 -1.26 -5.19 105.19 115.69 1r79 n GLY 7 Ca -0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1r79 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r79 s THR 8 N 0.00 0.51 -0.12 2.61 -4.23 -1.26 -5.17 115.64 107.98 1r79 s THR 8 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1r79 s THR 8 Cb 0.00 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.42 1r79 s THR 8 CO 0.00 0.00 0.74 -0.89 -0.54 0.00 0.00 174.62 173.93 1r79 s THR 9 N -3.43 0.00 0.22 3.99 2.01 -1.26 -5.18 115.64 111.99 1r79 s THR 9 Ca 0.32 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1r79 s THR 9 Cb 0.05 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1r79 s THR 9 CO 0.17 0.00 0.41 -1.48 -0.69 0.00 0.00 174.62 173.03 1r79 s LEU 10 N -0.79 0.50 -0.05 4.42 2.34 -1.26 -5.18 118.68 118.65 1r79 s LEU 10 Ca -0.07 -0.93 -0.30 0.00 0.06 0.00 0.00 54.13 52.89 1r79 s LEU 10 Cb -0.01 1.55 0.08 0.00 -0.56 0.00 0.00 46.19 47.25 1r79 s LEU 10 CO 0.07 -1.06 0.74 0.00 -1.06 0.00 0.00 176.35 175.03 1r79 s ALA 11 N -4.01 -1.79 -0.09 1.48 0.00 -1.26 -5.16 121.76 110.93 1r79 s ALA 11 Ca 0.22 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.51 1r79 s ALA 11 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1r79 s ALA 11 CO 0.07 -0.40 -0.20 -1.54 0.00 0.00 0.00 175.76 173.69 1r79 s SER 12 N -1.32 3.48 0.18 0.00 1.04 -1.26 -5.13 113.70 110.69 1r79 s SER 12 Ca -0.08 -0.43 0.07 0.00 0.48 0.00 0.00 55.95 55.99 1r79 s SER 12 Cb -0.00 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 1r79 s SER 12 CO 0.06 0.21 -0.15 0.27 0.98 0.00 0.00 173.24 174.62 1r79 s ILE 13 N 0.06 1.67 -0.15 -1.02 -5.25 -1.26 -5.16 121.20 110.09 1r79 s ILE 13 Ca -0.08 -2.10 -0.11 0.00 -0.99 0.00 0.00 60.65 57.37 1r79 s ILE 13 Cb -0.15 -1.94 0.05 0.00 2.95 0.00 0.00 42.46 43.36 1r79 s ILE 13 CO 0.05 -0.54 0.37 -0.83 -1.79 0.00 0.00 174.94 172.21 1r79 s GLY 14 N -3.11 -0.28 -0.13 6.27 0.00 -1.26 -5.14 107.32 103.66 1r79 s GLY 14 Ca 0.19 1.24 -0.04 0.00 0.00 0.00 0.00 44.72 46.11 1r79 s GLY 14 CO 0.06 1.25 0.23 0.54 0.00 0.00 0.00 173.10 175.18 1r79 s LYS 15 N 0.79 0.13 -0.13 2.90 -0.14 -1.26 -5.13 119.74 116.89 1r79 s LYS 15 Ca -0.05 0.58 -0.26 0.00 -1.36 0.00 0.00 55.97 54.88 1r79 s LYS 15 Cb -0.06 -0.36 -0.02 0.00 -1.68 0.00 0.00 37.83 35.71 1r79 s LYS 15 CO -0.06 -0.38 0.84 0.16 -0.76 0.00 0.00 175.35 175.15 1r79 s ASP 16 N 2.37 7.02 0.04 2.83 -4.77 -1.26 -5.01 116.67 117.88 1r79 s ASP 16 Ca 0.03 1.25 -0.30 0.00 -3.30 0.00 0.00 52.55 50.23 1r79 s ASP 16 Cb -0.13 -2.47 -0.06 0.00 -1.09 0.00 0.00 42.92 39.17 1r79 s ASP 16 CO -0.09 -0.34 1.41 -0.63 0.70 0.00 0.00 175.17 176.22 1r79 s ILE 17 N 1.81 3.57 -0.08 2.11 1.01 -1.26 -5.02 121.20 123.35 1r79 s ILE 17 Ca 0.40 1.03 0.01 0.00 0.00 0.00 0.00 60.65 62.09 1r79 s ILE 17 Cb -0.17 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1r79 s ILE 17 CO 0.15 0.02 -0.09 -0.63 0.00 0.00 0.00 174.94 174.40 1r79 s ILE 18 N 2.01 3.54 0.46 2.92 -1.09 -1.26 -5.08 121.20 122.70 1r79 s ILE 18 Ca 0.64 -0.53 -0.19 0.00 -2.23 0.00 0.00 60.65 58.34 1r79 s ILE 18 Cb -0.33 -2.45 -0.15 0.00 -1.58 0.00 0.00 42.46 37.95 1r79 s ILE 18 CO 0.28 0.58 0.03 -1.84 -1.23 0.00 0.00 174.94 172.76 1r79 n GLU 19 N 2.47 0.06 -3.25 2.79 -0.00 -1.26 -4.97 120.64 116.48 1r79 n GLU 19 Ca -0.18 0.02 -0.19 0.00 -0.00 0.00 0.00 57.16 56.82 1r79 n GLU 19 Cb 0.53 -1.07 -0.01 0.00 -0.00 0.00 0.00 31.44 30.89 1r79 n GLU 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1r79 s ASP 20 N -1.01 5.46 -0.31 -1.84 2.15 -1.26 -5.05 116.67 114.81 1r79 s ASP 20 Ca 0.59 -0.52 0.10 0.00 0.43 0.00 0.00 52.55 53.15 1r79 s ASP 20 Cb -0.55 -0.67 0.46 0.00 -0.30 0.00 0.00 42.92 41.86 1r79 s ASP 20 CO 0.64 -0.69 1.15 0.00 -0.17 0.00 0.00 175.17 176.09 1r79 n ALA 21 N -1.72 4.48 0.08 3.66 0.00 -1.26 -4.62 120.51 121.12 1r79 n ALA 21 Ca 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.86 1r79 n ALA 21 Cb 0.60 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.62 0.27 -3.12 0.00 -0.08 -1.26 -4.98 116.55 106.76 1r79 n ASP 22 Ca 0.34 0.25 -0.19 0.00 -1.51 0.00 0.00 54.79 53.69 1r79 n ASP 22 Cb 0.88 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 44.39 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 2.29 3.82 3.63 0.27 0.00 -1.26 -5.10 105.19 108.85 1r79 n GLY 23 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.80 3.70 -0.61 -0.61 -1.09 -1.26 -5.03 121.20 113.50 1r79 s ILE 24 Ca 0.41 -1.07 -0.28 0.00 -2.23 0.00 0.00 60.65 57.48 1r79 s ILE 24 Cb 0.35 -2.73 -0.12 0.00 -1.58 0.00 0.00 42.46 38.38 1r79 s ILE 24 CO -0.08 0.16 2.47 0.00 -1.23 0.00 0.00 174.94 176.25 1r79 n ALA 25 N 0.77 0.71 -3.19 9.38 0.00 -1.26 -4.91 120.51 122.01 1r79 n ALA 25 Ca -0.13 -0.66 -0.36 0.00 0.00 0.00 0.00 53.44 52.30 1r79 n ALA 25 Cb 0.52 -2.88 -0.13 0.00 0.00 0.00 0.00 19.45 16.96 1r79 n ALA 25 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1r79 s MET 26 N 8.24 3.57 0.74 0.00 -1.94 -1.26 -5.04 119.30 123.61 1r79 s MET 26 Ca 1.10 -0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 54.43 1r79 s MET 26 Cb -0.54 -3.22 0.18 0.00 2.01 0.00 0.00 34.83 33.27 1r79 s MET 26 CO 0.35 -0.18 0.66 -0.35 -0.01 0.00 0.00 175.02 175.49 1r79 n PRO 27 N 4.84 -2.32 -3.51 2.03 -0.04 -1.26 -0.20 135.00 134.54 1r79 n PRO 27 Ca -0.17 -1.06 -0.42 0.00 -0.04 0.00 0.00 63.50 61.81 1r79 n PRO 27 Cb 0.51 -0.99 -0.10 0.00 -0.04 0.00 0.00 33.50 32.88 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 -2.19 3.24 -0.92 0.54 3.76 -1.26 -4.32 115.29 114.14 1r79 s HIS 28 Ca 0.43 -0.77 -0.24 0.00 -0.15 0.00 0.00 55.06 54.32 1r79 s HIS 28 Cb -0.04 -2.58 -0.00 0.00 1.11 0.00 0.00 32.58 31.06 1r79 s HIS 28 CO 0.33 -0.63 1.70 -1.14 -0.85 0.00 0.00 174.74 174.15 1r79 s GLN 29 N 1.63 3.02 0.32 1.40 0.74 -1.26 -4.97 119.66 120.54 1r79 s GLN 29 Ca 0.04 -0.58 -0.26 0.00 0.05 0.00 0.00 55.36 54.61 1r79 s GLN 29 Cb -0.20 -5.10 -0.10 0.00 1.10 0.00 0.00 33.01 28.72 1r79 s GLN 29 CO 0.08 -2.79 0.97 -1.58 -0.55 0.00 0.00 175.29 171.42 1r79 s TRP 30 N 7.68 3.66 -0.22 1.67 0.52 -1.26 -1.85 118.94 129.14 1r79 s TRP 30 Ca 0.58 1.78 -0.03 0.00 0.02 0.00 0.00 56.10 58.45 1r79 s TRP 30 Cb -0.04 -2.98 0.07 0.00 -1.15 0.00 0.00 33.47 29.37 1r79 s TRP 30 CO -0.02 0.09 0.07 -0.51 0.02 0.00 0.00 176.95 176.59 1r79 s LEU 31 N -2.00 1.08 0.20 2.99 1.02 -1.17 -4.93 118.68 115.88 1r79 s LEU 31 Ca 0.50 -1.00 -0.30 0.00 0.02 0.00 0.00 54.13 53.35 1r79 s LEU 31 Cb -0.21 -0.53 -0.16 0.00 0.02 0.00 0.00 46.19 45.31 1r79 s LEU 31 CO 0.26 -0.36 0.83 1.21 0.02 0.00 0.00 176.35 178.31 1r79 n GLU 32 N 5.10 0.59 0.00 1.70 2.13 -1.26 -3.26 120.64 125.64 1r79 n GLU 32 Ca -0.07 0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1r79 n GLU 32 Cb 0.46 -1.45 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 1.73 0.60 2.87 8.31 0.00 0.45 -4.83 105.19 114.32 1r79 n GLY 33 Ca 0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.97 -2.95 -4.07 1.61 4.13 -1.26 -4.33 115.26 106.42 1r79 n ASN 34 Ca 0.00 -0.44 -0.28 0.00 1.68 0.00 0.00 54.58 55.54 1r79 n ASN 34 Cb 0.00 -3.90 -0.17 0.00 -1.54 0.00 0.00 39.78 34.17 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 -5.35 1.75 1.01 3.41 2.01 -1.26 -4.84 118.68 115.41 1r79 s LEU 35 Ca 0.12 -0.40 -0.12 0.00 0.01 0.00 0.00 54.13 53.74 1r79 s LEU 35 Cb -0.05 -1.04 0.20 0.00 0.01 0.00 0.00 46.19 45.30 1r79 s LEU 35 CO 0.54 0.05 1.09 -2.16 1.01 0.00 0.00 176.35 176.88 1r79 s PRO 36 N 0.74 0.33 0.41 1.29 0.04 -1.26 -4.79 135.00 131.76 1r79 s PRO 36 Ca -0.12 0.49 0.21 0.00 0.04 0.00 0.00 61.00 61.61 1r79 s PRO 36 Cb -0.16 -1.73 0.88 0.00 0.04 0.00 0.00 34.50 33.53 1r79 s PRO 36 CO 0.03 -2.79 1.83 -0.39 0.04 0.00 0.00 177.00 175.71 1r79 h VAL 37 N -1.94 0.81 -0.75 -0.36 -1.51 -1.94 -3.00 116.25 107.57 1r79 h VAL 37 Ca -0.55 -1.23 -0.51 0.00 -1.23 0.00 0.00 66.70 63.19 1r79 h VAL 37 Cb 1.33 1.76 -0.31 0.00 -2.13 0.00 0.00 31.29 31.94 1r79 h VAL 37 CO 0.58 0.29 -0.04 -0.24 -1.23 0.00 0.00 177.57 176.93 1r79 n SER 38 N -3.60 5.22 -4.83 4.19 2.88 -1.26 -4.94 113.62 111.29 1r79 n SER 38 Ca -0.01 -3.77 -0.35 0.00 -1.33 0.00 0.00 58.87 53.41 1r79 n SER 38 Cb 0.43 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.19 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 -3.59 3.45 0.20 -1.46 0.00 -1.13 -5.00 121.76 114.23 1r79 s ALA 39 Ca 0.54 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.66 1r79 s ALA 39 Cb 0.44 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1r79 s ALA 39 CO 0.02 0.37 -0.20 0.21 0.00 0.00 0.00 175.76 176.15 1r79 s LYS 40 N -2.14 1.65 0.88 0.00 2.47 -1.26 -0.72 119.74 120.62 1r79 s LYS 40 Ca 0.43 -1.49 -0.12 0.00 -1.56 0.00 0.00 55.97 53.23 1r79 s LYS 40 Cb -0.15 -1.91 0.12 0.00 -1.46 0.00 0.00 37.83 34.43 1r79 s LYS 40 CO 0.20 0.40 1.13 0.00 0.16 0.00 0.00 175.35 177.24 1r79 n THR 42 N -3.68 0.00 -0.08 0.00 -1.04 0.40 -3.97 114.28 105.90 1r79 n THR 42 Ca 0.07 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1r79 n THR 42 Cb 0.58 0.55 -0.12 0.00 -1.82 0.00 0.00 70.33 69.53 1r79 n THR 42 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1r79 n VAL 43 N -1.40 1.61 -0.04 12.58 0.31 -1.26 -4.58 118.33 125.54 1r79 n VAL 43 Ca 0.00 -0.37 0.01 0.00 -0.01 0.00 0.00 64.34 63.97 1r79 n VAL 43 Cb 0.00 -1.83 -0.14 0.00 -0.91 0.00 0.00 33.84 30.96 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 -2.37 -2.76 -4.45 0.00 -0.08 -1.26 -5.03 116.55 100.60 1r79 n ASP 45 Ca -0.15 -0.08 -0.25 0.00 -1.51 0.00 0.00 54.79 52.81 1r79 n ASP 45 Cb 0.75 -1.68 -0.10 0.00 2.34 0.00 0.00 41.12 42.43 1r79 n ASP 45 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1r79 s LYS 46 N -4.85 1.62 0.22 -0.67 1.02 -1.26 -4.74 119.74 111.09 1r79 s LYS 46 Ca 0.08 -1.70 -0.16 0.00 0.02 0.00 0.00 55.97 54.22 1r79 s LYS 46 Cb -0.04 -1.76 -0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1r79 s LYS 46 CO 0.10 0.34 0.16 -2.37 -0.92 0.00 0.00 175.35 172.66 1r79 n THR 47 N -0.38 0.73 -3.82 2.17 5.66 -1.26 -1.09 114.28 116.30 1r79 n THR 47 Ca -0.07 -0.33 -0.12 0.00 -3.05 0.00 0.00 64.05 60.48 1r79 n THR 47 Cb 0.59 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.28 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 1.01 2.51 3.74 0.00 0.00 -1.26 -3.63 105.19 107.57 1r79 n GLY 49 Ca -0.21 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 3.15 -0.10 1.61 7.64 -1.26 -4.92 113.62 119.74 1r79 n SER 50 Ca 0.00 1.14 -0.07 0.00 1.01 0.00 0.00 58.87 60.95 1r79 n SER 50 Cb 0.00 -1.57 -0.05 0.00 -1.01 0.00 0.00 64.21 61.58 1r79 n SER 50 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1r79 h VAL 51 N 2.35 0.00 0.00 0.44 3.04 -1.98 -3.42 116.25 116.68 1r79 h VAL 51 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1r79 h VAL 51 Cb 1.27 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1r79 h VAL 51 CO 0.61 0.00 -0.31 0.00 -1.01 0.00 0.00 177.57 176.86 1r79 n LEU 52 N -4.13 0.55 -4.65 3.16 -0.00 -1.26 -5.05 117.00 105.62 1r79 n LEU 52 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.57 1r79 n LEU 52 Cb 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 1r79 n LEU 52 CO -0.01 -0.05 1.50 -0.60 -0.00 0.00 0.00 177.39 178.23 1r79 s ARG 53 N -1.59 3.95 -0.26 1.47 6.06 -1.26 -4.91 118.95 122.41 1r79 s ARG 53 Ca 0.00 2.18 -0.29 0.00 -2.50 0.00 0.00 55.73 55.13 1r79 s ARG 53 Cb 0.00 -4.10 -0.03 0.00 0.06 0.00 0.00 34.95 30.88 1r79 s ARG 53 CO 0.00 -1.14 1.86 -0.51 -2.50 0.00 0.00 175.30 173.01 1r79 s LEU 54 N 4.97 3.63 0.08 -0.88 1.02 -1.26 -4.60 118.68 121.64 1r79 s LEU 54 Ca 0.81 1.58 0.00 0.00 0.02 0.00 0.00 54.13 56.54 1r79 s LEU 54 Cb -0.34 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.34 1r79 s LEU 54 CO 0.34 -1.63 0.00 0.00 0.02 0.00 0.00 176.35 175.08 1r79 n GLN 55 N 8.28 0.00 -0.75 1.70 6.02 -1.26 -4.32 117.38 127.05 1r79 n GLN 55 Ca 0.23 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.97 1r79 n GLN 55 Cb 0.46 -0.04 -0.01 0.00 1.02 0.00 0.00 30.24 31.66 1r79 n GLN 55 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1r79 n ASP 56 N -2.83 -1.06 -4.48 1.08 8.00 -1.26 -2.40 116.55 113.60 1r79 n ASP 56 Ca 0.00 0.56 -0.33 0.00 0.71 0.00 0.00 54.79 55.72 1r79 n ASP 56 Cb 0.00 -0.51 -0.13 0.00 -0.02 0.00 0.00 41.12 40.46 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 -0.71 2.84 -0.05 1.24 0.52 -0.84 0.17 118.94 122.12 1r79 s TRP 57 Ca 0.34 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1r79 s TRP 57 Cb -0.45 -1.75 0.02 0.00 -1.15 0.00 0.00 33.47 30.14 1r79 s TRP 57 CO 0.33 0.10 -0.04 -0.98 0.02 0.00 0.00 176.95 176.38 1r79 s ARG 58 N -0.34 0.83 0.40 4.98 1.70 -1.20 -0.39 118.95 124.93 1r79 s ARG 58 Ca 0.04 -0.09 -0.27 0.00 -0.47 0.00 0.00 55.73 54.94 1r79 s ARG 58 Cb -0.13 -0.87 -0.10 0.00 -0.57 0.00 0.00 34.95 33.29 1r79 s ARG 58 CO 0.02 -0.11 1.44 0.00 -1.08 0.00 0.00 175.30 175.58 1r79 n LEU 60 N 0.26 1.32 0.00 0.00 7.94 -0.77 -2.95 117.00 122.80 1r79 n LEU 60 Ca 0.02 -0.41 0.00 0.00 -1.11 0.00 0.00 56.01 54.52 1r79 n LEU 60 Cb 0.41 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1r79 n LEU 60 CO 0.61 0.23 0.00 0.79 -1.11 0.00 0.00 177.39 177.91 1r79 n TRP 61 N -0.17 0.00 0.66 1.96 8.01 -1.26 -4.71 117.44 121.92 1r79 n TRP 61 Ca 0.16 0.00 0.09 0.00 -1.31 0.00 0.00 57.50 56.43 1r79 n TRP 61 Cb 0.36 0.00 0.40 0.00 -2.01 0.00 0.00 31.31 30.05 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 -1.47 -6.66 -3.53 0.00 4.76 -1.15 -4.96 118.16 105.14 1r79 n LYS 63 Ca 0.05 0.77 -0.41 0.00 -2.87 0.00 0.00 58.31 55.84 1r79 n LYS 63 Cb 0.20 -5.70 -0.11 0.00 -1.84 0.00 0.00 35.03 27.58 1r79 n LYS 63 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r79 s ALA 64 N -3.39 3.42 -0.09 7.82 0.00 -1.25 -4.80 121.76 123.47 1r79 s ALA 64 Ca 0.31 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.48 1r79 s ALA 64 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1r79 s ALA 64 CO 0.76 -1.21 0.66 -1.64 0.00 0.00 0.00 175.76 174.33 1r79 s MET 65 N 1.66 4.39 0.01 0.00 -1.94 -1.26 -1.64 119.30 120.53 1r79 s MET 65 Ca 0.05 0.78 -0.04 0.00 -1.71 0.00 0.00 55.69 54.77 1r79 s MET 65 Cb -0.18 -3.46 -0.01 0.00 2.01 0.00 0.00 34.83 33.19 1r79 s MET 65 CO 0.09 0.04 0.07 0.14 -0.01 0.00 0.00 175.02 175.35 1r79 s VAL 66 N 0.92 0.09 0.78 -6.03 -7.23 0.48 0.15 120.40 109.56 1r79 s VAL 66 Ca 0.35 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.68 1r79 s VAL 66 Cb -0.17 -0.35 0.06 0.00 0.56 0.00 0.00 36.38 36.49 1r79 s VAL 66 CO 0.16 -0.40 1.09 -1.00 -0.31 0.00 0.00 175.10 174.63 1r79 s HIS 67 N -1.32 2.66 0.10 2.82 3.76 -1.26 -1.99 115.29 120.06 1r79 s HIS 67 Ca -0.14 1.43 -0.24 0.00 -0.15 0.00 0.00 55.06 55.95 1r79 s HIS 67 Cb -0.08 -3.04 -0.08 0.00 1.11 0.00 0.00 32.58 30.49 1r79 s HIS 67 CO 0.00 -1.80 1.41 1.79 -0.85 0.00 0.00 174.74 175.29 1r79 h THR 68 N -1.13 0.00 -0.03 1.30 1.35 -1.94 0.35 112.91 112.81 1r79 h THR 68 Ca -0.45 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1r79 h THR 68 Cb 1.24 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1r79 h THR 68 CO 0.54 0.00 0.01 0.28 -0.25 0.00 0.00 175.52 176.10 1r79 h SER 69 N -0.25 0.05 -0.97 5.36 0.02 -2.02 -2.92 113.55 112.81 1r79 h SER 69 Ca 0.06 -0.22 0.27 0.00 -0.84 0.00 0.00 61.79 61.06 1r79 h SER 69 Cb 0.42 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 62.82 1r79 h SER 69 CO -0.48 0.25 0.51 0.00 -1.14 0.00 0.00 176.83 175.97 1r79 h LYS 71 N 0.42 0.06 -0.73 0.00 3.64 -0.11 0.43 116.57 120.28 1r79 h LYS 71 Ca 0.65 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 60.07 1r79 h LYS 71 Cb 1.34 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.09 1r79 h LYS 71 CO -0.55 0.04 0.44 0.93 -2.27 0.00 0.00 179.45 178.04 1r79 h GLU 72 N 0.06 0.80 -0.79 1.90 4.39 -1.01 -2.22 114.58 117.72 1r79 h GLU 72 Ca 0.48 -0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.30 1r79 h GLU 72 Cb 0.88 -0.18 -0.11 0.00 -0.10 0.00 0.00 28.75 29.24 1r79 h GLU 72 CO -0.78 0.53 0.27 0.77 -1.16 0.00 0.00 179.01 178.64 1r79 h SER 73 N 0.83 0.18 -3.23 1.42 0.02 -0.17 -3.40 113.55 109.20 1r79 h SER 73 Ca 0.31 0.14 -0.53 0.00 -0.84 0.00 0.00 61.79 60.87 1r79 h SER 73 Cb 0.11 0.14 0.04 0.00 0.14 0.00 0.00 62.40 62.84 1r79 h SER 73 CO -0.15 0.02 0.74 -0.22 -1.14 0.00 0.00 176.83 176.09 1r79 s LEU 74 N -10.51 4.39 0.00 5.07 2.96 -0.84 -4.88 118.68 114.86 1r79 s LEU 74 Ca -0.12 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.32 1r79 s LEU 74 Cb 0.22 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.30 1r79 s LEU 74 CO 0.76 -0.67 0.00 0.00 -1.32 0.00 0.00 176.35 175.13 1r79 n LEU 75 N 2.92 1.37 -3.99 -0.68 -0.00 -1.26 -4.99 117.00 110.37 1r79 n LEU 75 Ca 0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.73 1r79 n LEU 75 Cb 0.41 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.87 1r79 n LEU 75 CO 0.60 0.19 -1.24 1.07 -0.00 0.00 0.00 177.39 178.01 1r79 n THR 76 N -2.16 0.00 -1.44 1.47 5.66 -1.26 -4.95 114.28 111.59 1r79 n THR 76 Ca 0.00 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.29 1r79 n THR 76 Cb 0.27 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.22 1r79 n THR 76 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1r79 n LYS 77 N 2.36 -1.47 -4.25 1.09 4.76 -1.26 -4.91 118.16 114.48 1r79 n LYS 77 Ca -0.01 -1.45 -0.23 0.00 -2.87 0.00 0.00 58.31 53.75 1r79 n LYS 77 Cb 0.54 -1.08 -0.07 0.00 -1.84 0.00 0.00 35.03 32.59 1r79 n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r79 h SER 79 N 1.79 0.62 -5.00 0.00 0.02 -1.87 -3.38 113.55 105.72 1r79 h SER 79 Ca -0.44 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 59.61 1r79 h SER 79 Cb 1.25 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1r79 h SER 79 CO 0.61 1.46 0.00 0.61 -1.14 0.00 0.00 176.83 178.37 1r79 n GLY 80 N 1.52 2.84 3.77 -3.77 0.00 -1.26 -4.91 105.19 103.39 1r79 n GLY 80 Ca -0.14 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.94 3.87 -0.35 1.61 0.04 -1.26 -4.50 135.00 131.47 1r79 s PRO 81 Ca 0.00 1.82 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1r79 s PRO 81 Cb 0.00 -2.52 0.45 0.00 0.04 0.00 0.00 34.50 32.47 1r79 s PRO 81 CO 0.00 -0.47 1.22 0.43 0.04 0.00 0.00 177.00 178.22 1r79 n SER 82 N -0.26 5.03 -3.93 6.66 7.64 -1.26 -4.93 113.62 122.56 1r79 n SER 82 Ca 0.06 -3.75 -0.30 0.00 1.01 0.00 0.00 58.87 55.89 1r79 n SER 82 Cb 0.47 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 1r79 n SER 82 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1r79 s SER 83 N -3.48 4.32 0.00 6.43 1.04 -1.26 -5.25 113.70 115.50 1r79 s SER 83 Ca 0.51 -2.72 0.00 0.00 0.48 0.00 0.00 55.95 54.22 1r79 s SER 83 Cb 0.41 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 65.00 1r79 s SER 83 CO -0.03 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.53