#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 -0.57 0.34 1.61 0.15 -1.26 -5.18 113.70 108.78 1r79 s SER 2 Ca 0.00 0.82 -0.09 0.00 0.70 0.00 0.00 55.95 57.38 1r79 s SER 2 Cb 0.00 1.55 0.02 0.00 -1.71 0.00 0.00 66.02 65.88 1r79 s SER 2 CO 0.00 -0.12 0.58 -0.94 1.20 0.00 0.00 173.24 173.97 1r79 s SER 3 N 2.14 0.39 0.00 5.45 1.04 -1.26 -5.19 113.70 116.28 1r79 s SER 3 Ca -0.05 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1r79 s SER 3 Cb -0.06 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1r79 s SER 3 CO -0.17 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.27 1r79 n GLY 4 N -0.52 1.65 3.63 7.32 0.00 -1.26 -5.18 105.19 110.84 1r79 n GLY 4 Ca -0.03 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 -0.23 -0.20 1.61 0.15 -1.26 -5.18 113.70 108.59 1r79 s SER 5 Ca 0.00 0.40 -0.30 0.00 0.70 0.00 0.00 55.95 56.75 1r79 s SER 5 Cb 0.00 0.39 0.15 0.00 -1.71 0.00 0.00 66.02 64.84 1r79 s SER 5 CO 0.00 -0.11 1.11 -0.94 1.20 0.00 0.00 173.24 174.50 1r79 s SER 6 N -0.19 -0.27 0.00 5.45 1.04 -1.26 -5.17 113.70 113.31 1r79 s SER 6 Ca 0.05 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1r79 s SER 6 Cb -0.04 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1r79 s SER 6 CO -0.09 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1r79 n GLY 7 N 0.71 2.16 2.74 7.32 0.00 -1.26 -5.15 105.19 111.72 1r79 n GLY 7 Ca -0.07 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.28 0.06 2.61 -4.23 -1.26 -5.15 115.64 107.39 1r79 s THR 8 Ca 0.00 -0.05 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1r79 s THR 8 Cb 0.00 -0.61 -0.03 0.00 1.34 0.00 0.00 72.50 73.21 1r79 s THR 8 CO 0.00 -0.16 -0.10 0.42 -0.54 0.00 0.00 174.62 174.23 1r79 s THR 9 N 2.29 0.78 0.04 3.99 -4.23 -1.26 -5.16 115.64 112.09 1r79 s THR 9 Ca 0.05 -1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1r79 s THR 9 Cb -0.15 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.83 1r79 s THR 9 CO -0.11 -0.36 0.24 -0.22 -0.54 0.00 0.00 174.62 173.63 1r79 s LEU 10 N -1.77 1.17 -0.13 4.79 2.96 -1.26 -5.17 118.68 119.27 1r79 s LEU 10 Ca -0.05 -0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.31 1r79 s LEU 10 Cb -0.09 1.11 0.06 0.00 0.50 0.00 0.00 46.19 47.77 1r79 s LEU 10 CO 0.01 -0.57 0.65 0.00 -1.32 0.00 0.00 176.35 175.11 1r79 s ALA 11 N -2.49 -1.64 -0.21 5.97 0.00 -1.26 -5.15 121.76 116.98 1r79 s ALA 11 Ca -0.06 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.40 1r79 s ALA 11 Cb -0.01 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1r79 s ALA 11 CO -0.03 -0.34 -0.10 0.45 0.00 0.00 0.00 175.76 175.74 1r79 s SER 12 N -0.54 3.61 0.27 0.00 0.15 -1.26 -5.11 113.70 110.82 1r79 s SER 12 Ca -0.06 -1.00 0.02 0.00 0.70 0.00 0.00 55.95 55.60 1r79 s SER 12 Cb -0.02 -1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.97 1r79 s SER 12 CO 0.06 -0.17 0.10 0.27 1.20 0.00 0.00 173.24 174.70 1r79 s ILE 13 N 1.36 0.54 0.00 6.45 -5.25 -1.26 -5.03 121.20 118.01 1r79 s ILE 13 Ca -0.03 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.63 1r79 s ILE 13 Cb -0.17 -2.62 0.00 0.00 2.95 0.00 0.00 42.46 42.62 1r79 s ILE 13 CO -0.07 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.69 1r79 n GLY 14 N -0.49 -0.59 3.70 6.27 0.00 -1.26 -5.12 105.19 107.69 1r79 n GLY 14 Ca 0.00 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 4.31 -0.04 1.61 3.01 -1.26 -5.06 119.74 122.30 1r79 s LYS 15 Ca 0.00 0.48 -0.01 0.00 -1.01 0.00 0.00 55.97 55.43 1r79 s LYS 15 Cb 0.00 -3.47 0.03 0.00 -1.01 0.00 0.00 37.83 33.37 1r79 s LYS 15 CO 0.00 0.06 0.01 -0.51 0.51 0.00 0.00 175.35 175.42 1r79 s ASP 16 N 0.79 0.90 -0.23 2.83 1.01 -1.26 -5.10 116.67 115.61 1r79 s ASP 16 Ca 0.26 -0.02 -0.31 0.00 0.71 0.00 0.00 52.55 53.20 1r79 s ASP 16 Cb -0.15 -0.26 -0.08 0.00 1.01 0.00 0.00 42.92 43.43 1r79 s ASP 16 CO 0.11 -0.16 2.16 -0.38 0.21 0.00 0.00 175.17 177.11 1r79 n ILE 17 N 4.67 0.35 0.40 0.77 -0.00 -1.26 -4.82 119.36 119.47 1r79 n ILE 17 Ca -0.16 -0.34 -0.06 0.00 -0.00 0.00 0.00 62.75 62.19 1r79 n ILE 17 Cb 0.50 -2.19 0.05 0.00 -0.00 0.00 0.00 39.64 38.01 1r79 n ILE 17 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1r79 n ILE 18 N 7.16 1.56 -4.95 1.39 -0.00 -1.26 -4.84 119.36 118.43 1r79 n ILE 18 Ca 0.32 -0.52 -0.32 0.00 -0.00 0.00 0.00 62.75 62.24 1r79 n ILE 18 Cb 0.36 -0.83 -0.14 0.00 -0.00 0.00 0.00 39.64 39.03 1r79 n ILE 18 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1r79 s GLU 19 N -0.94 2.31 0.26 0.38 0.41 -1.26 -5.03 118.70 114.83 1r79 s GLU 19 Ca 0.16 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.93 1r79 s GLU 19 Cb 0.13 -2.25 0.03 0.00 -1.78 0.00 0.00 34.13 30.26 1r79 s GLU 19 CO 0.03 0.59 0.25 -0.40 -0.49 0.00 0.00 175.26 175.24 1r79 n ASP 20 N 2.17 1.56 -1.84 -0.19 5.68 -1.26 -5.06 116.55 117.61 1r79 n ASP 20 Ca -0.17 -1.83 -0.07 0.00 -0.50 0.00 0.00 54.79 52.22 1r79 n ASP 20 Cb 0.52 -0.07 0.07 0.00 -1.14 0.00 0.00 41.12 40.49 1r79 n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r79 n ALA 21 N -2.53 3.67 0.00 2.12 0.00 -1.26 -4.73 120.51 117.77 1r79 n ALA 21 Ca -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.18 1r79 n ALA 21 Cb 0.29 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1r79 n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r79 n ASP 22 N -0.58 0.00 0.00 0.00 8.00 -1.26 -5.04 116.55 117.67 1r79 n ASP 22 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1r79 n ASP 22 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1r79 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r79 n GLY 23 N 2.17 -1.43 2.13 0.44 0.00 -1.26 -5.14 105.19 102.10 1r79 n GLY 23 Ca 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.42 1r79 n GLY 23 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r79 n ILE 24 N 0.00 1.11 -3.65 -0.61 -0.00 -1.26 -4.89 119.36 110.07 1r79 n ILE 24 Ca 0.00 -0.28 -0.39 0.00 -0.00 0.00 0.00 62.75 62.09 1r79 n ILE 24 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.52 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1r79 s ALA 25 N -0.55 3.29 -0.19 -1.39 0.00 -1.26 -5.08 121.76 116.58 1r79 s ALA 25 Ca 0.42 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1r79 s ALA 25 Cb -0.60 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 1r79 s ALA 25 CO 0.35 -0.93 0.01 -1.64 0.00 0.00 0.00 175.76 173.55 1r79 s MET 26 N 1.62 3.70 0.09 0.00 -1.94 -1.26 -5.08 119.30 116.43 1r79 s MET 26 Ca 0.05 -0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 53.53 1r79 s MET 26 Cb -0.17 -3.08 0.02 0.00 2.01 0.00 0.00 34.83 33.62 1r79 s MET 26 CO 0.06 0.11 0.08 -0.35 -0.01 0.00 0.00 175.02 174.92 1r79 n PRO 27 N 3.96 -1.18 -4.06 2.03 -0.04 -1.26 -2.39 135.00 132.05 1r79 n PRO 27 Ca -0.17 -0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 62.81 1r79 n PRO 27 Cb 0.52 -0.12 -0.13 0.00 -0.04 0.00 0.00 33.50 33.73 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 -1.15 3.02 -0.92 0.54 3.76 -1.26 -4.44 115.29 114.84 1r79 s HIS 28 Ca 0.05 -0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 54.19 1r79 s HIS 28 Cb -0.01 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1r79 s HIS 28 CO 0.04 -0.29 1.73 -1.14 -0.85 0.00 0.00 174.74 174.23 1r79 s GLN 29 N 1.07 2.97 -0.05 1.40 2.00 -1.26 -4.95 119.66 120.83 1r79 s GLN 29 Ca 0.02 -0.54 -0.30 0.00 -2.00 0.00 0.00 55.36 52.54 1r79 s GLN 29 Cb -0.14 -5.09 -0.03 0.00 0.80 0.00 0.00 33.01 28.54 1r79 s GLN 29 CO 0.01 -2.85 1.21 -1.58 -0.50 0.00 0.00 175.29 171.58 1r79 s TRP 30 N 7.92 3.18 -0.30 1.67 0.23 -1.26 -2.95 118.94 127.43 1r79 s TRP 30 Ca 0.59 1.20 -0.02 0.00 -2.03 0.00 0.00 56.10 55.85 1r79 s TRP 30 Cb -0.05 -3.43 0.05 0.00 0.03 0.00 0.00 33.47 30.07 1r79 s TRP 30 CO -0.02 -1.35 0.00 -1.17 0.96 0.00 0.00 176.95 175.37 1r79 s LEU 31 N 2.23 3.89 -0.07 2.99 0.20 -1.12 -4.90 118.68 121.90 1r79 s LEU 31 Ca 0.56 -1.25 -0.39 0.00 0.69 0.00 0.00 54.13 53.75 1r79 s LEU 31 Cb -0.25 -1.72 -0.17 0.00 -0.43 0.00 0.00 46.19 43.62 1r79 s LEU 31 CO 0.22 -0.26 1.45 1.21 -0.29 0.00 0.00 176.35 178.68 1r79 n GLU 32 N 4.63 0.95 0.00 1.98 2.13 -1.26 -3.33 120.64 125.74 1r79 n GLU 32 Ca -0.13 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1r79 n GLU 32 Cb 0.44 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 3.00 1.22 2.99 8.31 0.00 0.65 -4.80 105.19 116.58 1r79 n GLY 33 Ca 0.22 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.15 -4.10 -4.82 1.61 3.02 -1.26 -4.46 115.26 103.10 1r79 n ASN 34 Ca 0.00 -0.43 -0.36 0.00 -0.03 0.00 0.00 54.58 53.76 1r79 n ASN 34 Cb 0.00 -3.96 -0.07 0.00 -0.61 0.00 0.00 39.78 35.14 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 -5.60 4.18 0.85 3.41 2.01 -1.26 -4.93 118.68 117.34 1r79 s LEU 35 Ca 0.28 0.37 -0.11 0.00 0.01 0.00 0.00 54.13 54.68 1r79 s LEU 35 Cb -0.12 -2.01 0.10 0.00 0.01 0.00 0.00 46.19 44.17 1r79 s LEU 35 CO 0.55 0.39 1.09 -2.16 1.01 0.00 0.00 176.35 177.23 1r79 s PRO 36 N -0.89 1.64 0.29 1.29 0.04 -1.26 -4.51 135.00 131.60 1r79 s PRO 36 Ca 0.14 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 1r79 s PRO 36 Cb -0.12 -1.84 0.43 0.00 0.04 0.00 0.00 34.50 33.01 1r79 s PRO 36 CO 0.03 -2.01 1.95 -0.24 0.04 0.00 0.00 177.00 176.77 1r79 h VAL 37 N -1.39 1.19 -1.05 -0.36 3.04 -1.98 -2.32 116.25 113.39 1r79 h VAL 37 Ca -0.47 -0.39 -0.66 0.00 -1.01 0.00 0.00 66.70 64.16 1r79 h VAL 37 Cb 1.26 -0.06 -0.31 0.00 -2.01 0.00 0.00 31.29 30.17 1r79 h VAL 37 CO 0.53 0.21 0.60 -1.20 -1.01 0.00 0.00 177.57 176.70 1r79 n SER 38 N -4.42 7.21 -4.65 3.17 7.64 -1.26 -4.89 113.62 116.42 1r79 n SER 38 Ca 0.11 -3.79 -0.30 0.00 1.01 0.00 0.00 58.87 55.90 1r79 n SER 38 Cb 0.06 -0.88 0.17 0.00 -1.01 0.00 0.00 64.21 62.55 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 -3.81 1.09 -0.27 -0.43 0.00 -0.87 -4.98 121.76 112.49 1r79 s ALA 39 Ca 0.61 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1r79 s ALA 39 Cb 0.49 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 20.40 1r79 s ALA 39 CO -0.04 -2.78 0.73 0.21 0.00 0.00 0.00 175.76 173.88 1r79 s LYS 40 N -4.74 0.80 0.24 0.00 2.47 -1.26 -3.11 119.74 114.14 1r79 s LYS 40 Ca 0.65 1.02 -0.30 0.00 -1.56 0.00 0.00 55.97 55.78 1r79 s LYS 40 Cb -0.21 0.36 -0.09 0.00 -1.46 0.00 0.00 37.83 36.43 1r79 s LYS 40 CO 0.59 -0.11 1.09 0.00 0.16 0.00 0.00 175.35 177.08 1r79 n THR 42 N 1.60 0.83 -0.04 0.00 5.66 -0.33 -2.23 114.28 119.77 1r79 n THR 42 Ca 0.00 -0.90 -0.05 0.00 -3.05 0.00 0.00 64.05 60.05 1r79 n THR 42 Cb 0.45 0.62 -0.03 0.00 -1.55 0.00 0.00 70.33 69.82 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 1.56 0.41 0.01 1.08 0.31 -1.26 -4.80 118.33 115.64 1r79 n VAL 43 Ca 0.23 -0.15 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 1r79 n VAL 43 Cb 0.60 -0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 32.66 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 -1.67 -2.74 -4.34 0.00 8.00 -0.95 -5.02 116.55 109.82 1r79 n ASP 45 Ca -0.01 -0.37 -0.27 0.00 0.71 0.00 0.00 54.79 54.85 1r79 n ASP 45 Cb 0.15 -3.16 -0.13 0.00 -0.02 0.00 0.00 41.12 37.96 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 -4.51 1.30 -0.09 -1.24 1.02 -1.26 -4.85 119.74 110.12 1r79 s LYS 46 Ca 0.07 -1.25 -0.36 0.00 0.02 0.00 0.00 55.97 54.46 1r79 s LYS 46 Cb -0.01 -1.68 -0.13 0.00 -0.52 0.00 0.00 37.83 35.49 1r79 s LYS 46 CO 0.42 0.40 1.76 0.25 -0.92 0.00 0.00 175.35 177.26 1r79 n THR 47 N 1.06 0.38 -4.69 2.17 -2.24 -1.26 -2.10 114.28 107.60 1r79 n THR 47 Ca -0.19 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.22 1r79 n THR 47 Cb 0.53 -1.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.10 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 -1.12 2.91 3.30 0.00 0.00 -1.26 -3.80 105.19 105.21 1r79 n GLY 49 Ca -0.13 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 1r79 n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r79 n SER 50 N 0.00 5.65 0.15 1.61 3.41 -1.26 -4.90 113.62 118.28 1r79 n SER 50 Ca 0.00 -3.09 -0.11 0.00 -0.26 0.00 0.00 58.87 55.41 1r79 n SER 50 Cb 0.00 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 62.52 1r79 n SER 50 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1r79 h VAL 51 N 3.61 0.00 -0.81 -3.33 2.07 -1.95 -2.95 116.25 112.90 1r79 h VAL 51 Ca 0.18 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 67.13 1r79 h VAL 51 Cb 0.84 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 30.20 1r79 h VAL 51 CO 1.06 0.00 -0.50 0.18 0.02 0.00 0.00 177.57 178.34 1r79 n LEU 52 N -4.25 5.45 0.00 2.57 4.77 -1.26 -4.56 117.00 119.72 1r79 n LEU 52 Ca -0.07 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.24 1r79 n LEU 52 Cb 0.27 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1r79 n LEU 52 CO 0.14 1.99 -0.19 0.54 -1.33 0.00 0.00 177.39 178.55 1r79 n ARG 53 N -0.74 1.27 -4.10 3.23 5.12 -1.23 -5.05 116.66 115.15 1r79 n ARG 53 Ca 0.47 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 56.05 1r79 n ARG 53 Cb 0.90 -0.69 -0.03 0.00 -1.16 0.00 0.00 32.46 31.49 1r79 n ARG 53 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1r79 n LEU 54 N -1.18 -1.24 0.02 0.55 7.94 -1.11 -4.87 117.00 117.10 1r79 n LEU 54 Ca 0.00 -1.20 -0.01 0.00 -1.11 0.00 0.00 56.01 53.69 1r79 n LEU 54 Cb 0.19 -1.83 -0.00 0.00 0.53 0.00 0.00 43.42 42.30 1r79 n LEU 54 CO 0.00 0.56 -0.10 0.00 -1.11 0.00 0.00 177.39 176.75 1r79 n GLN 55 N -4.64 0.07 -0.86 1.96 6.02 -1.26 -3.58 117.38 115.10 1r79 n GLN 55 Ca -0.24 0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.49 1r79 n GLN 55 Cb 0.65 -0.52 -0.02 0.00 1.02 0.00 0.00 30.24 31.37 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 -3.37 -0.97 -4.68 1.08 9.92 -1.26 -1.61 116.55 115.67 1r79 n ASP 56 Ca -0.02 0.66 -0.31 0.00 -0.53 0.00 0.00 54.79 54.59 1r79 n ASP 56 Cb 0.07 -0.58 -0.08 0.00 -0.64 0.00 0.00 41.12 39.89 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 -0.70 3.01 -0.17 1.24 0.52 -0.99 0.24 118.94 122.09 1r79 s TRP 57 Ca 0.39 0.01 -0.10 0.00 0.02 0.00 0.00 56.10 56.42 1r79 s TRP 57 Cb -0.54 -1.58 0.06 0.00 -1.15 0.00 0.00 33.47 30.25 1r79 s TRP 57 CO 0.36 0.47 0.41 -0.98 0.02 0.00 0.00 176.95 177.23 1r79 s ARG 58 N -2.02 0.41 0.61 4.98 1.70 -1.21 -0.25 118.95 123.17 1r79 s ARG 58 Ca 0.23 0.77 -0.18 0.00 -0.47 0.00 0.00 55.73 56.08 1r79 s ARG 58 Cb -0.12 0.01 -0.03 0.00 -0.57 0.00 0.00 34.95 34.25 1r79 s ARG 58 CO 0.15 -0.15 1.24 0.00 -1.08 0.00 0.00 175.30 175.47 1r79 n LEU 60 N -1.72 0.02 -0.02 0.00 0.00 -1.15 -3.14 117.00 110.99 1r79 n LEU 60 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 56.01 56.16 1r79 n LEU 60 Cb 0.49 0.17 -0.00 0.00 0.00 0.00 0.00 43.42 44.08 1r79 n LEU 60 CO 0.45 0.17 -0.02 -0.50 0.00 0.00 0.00 177.39 177.50 1r79 h TRP 61 N 0.00 0.00 0.00 1.96 6.55 -1.86 -3.38 115.95 119.22 1r79 h TRP 61 Ca -0.19 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.65 1r79 h TRP 61 Cb 1.44 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.74 1r79 h TRP 61 CO 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 178.44 177.39 1r79 n LYS 63 N -2.19 -3.67 -4.04 0.00 4.76 -1.19 -5.02 118.16 106.81 1r79 n LYS 63 Ca 0.06 0.71 -0.34 0.00 -2.87 0.00 0.00 58.31 55.87 1r79 n LYS 63 Cb 0.42 -5.19 -0.15 0.00 -1.84 0.00 0.00 35.03 28.28 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 -3.31 2.65 -0.11 7.82 0.00 -1.23 -4.85 121.76 122.72 1r79 s ALA 64 Ca 0.19 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1r79 s ALA 64 Cb -0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1r79 s ALA 64 CO 0.61 -0.36 0.42 -1.64 0.00 0.00 0.00 175.76 174.80 1r79 s MET 65 N 1.34 4.27 0.06 0.00 -1.94 -1.26 0.01 119.30 121.78 1r79 s MET 65 Ca 0.04 0.36 -0.04 0.00 -1.71 0.00 0.00 55.69 54.34 1r79 s MET 65 Cb -0.14 -3.40 -0.02 0.00 2.01 0.00 0.00 34.83 33.27 1r79 s MET 65 CO -0.06 0.25 0.06 0.14 -0.01 0.00 0.00 175.02 175.40 1r79 s VAL 66 N 0.36 0.18 0.65 -6.03 -7.23 0.65 -1.18 120.40 107.79 1r79 s VAL 66 Ca 0.23 -1.49 -0.09 0.00 -1.81 0.00 0.00 61.98 58.83 1r79 s VAL 66 Cb -0.15 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1r79 s VAL 66 CO 0.09 -0.82 1.00 -1.00 -0.31 0.00 0.00 175.10 174.06 1r79 s HIS 67 N -3.70 3.29 0.16 2.82 3.76 -1.26 -2.34 115.29 118.02 1r79 s HIS 67 Ca 0.04 0.85 -0.16 0.00 -0.15 0.00 0.00 55.06 55.65 1r79 s HIS 67 Cb 0.05 -2.90 0.10 0.00 1.11 0.00 0.00 32.58 30.94 1r79 s HIS 67 CO -0.10 -1.00 1.73 1.79 -0.85 0.00 0.00 174.74 176.31 1r79 h THR 68 N -0.42 0.81 -0.03 1.30 1.35 -1.94 0.42 112.91 114.41 1r79 h THR 68 Ca -0.45 -0.07 -0.08 0.00 -0.55 0.00 0.00 66.41 65.26 1r79 h THR 68 Cb 1.25 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1r79 h THR 68 CO 0.62 0.04 -0.29 -1.28 -0.25 0.00 0.00 175.52 174.36 1r79 h SER 69 N 0.21 0.31 -0.27 5.36 0.87 -2.03 -3.21 113.55 114.80 1r79 h SER 69 Ca 0.19 -0.70 0.05 0.00 -1.23 0.00 0.00 61.79 60.10 1r79 h SER 69 Cb 0.22 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1r79 h SER 69 CO -0.24 0.96 0.18 0.00 -0.53 0.00 0.00 176.83 177.20 1r79 h LYS 71 N 0.16 -0.27 -0.56 0.00 3.64 -0.15 0.23 116.57 119.63 1r79 h LYS 71 Ca 0.12 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 1r79 h LYS 71 Cb 0.27 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1r79 h LYS 71 CO -0.02 -0.18 0.39 1.05 -2.27 0.00 0.00 179.45 178.43 1r79 h GLU 72 N -0.28 0.12 -0.69 1.90 4.11 -1.67 -0.43 114.58 117.64 1r79 h GLU 72 Ca 0.05 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.40 1r79 h GLU 72 Cb 0.40 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1r79 h GLU 72 CO -0.39 0.08 0.18 1.03 0.07 0.00 0.00 179.01 179.98 1r79 h SER 73 N 0.13 1.04 -2.30 3.06 0.87 -0.62 -3.43 113.55 112.30 1r79 h SER 73 Ca 0.27 -0.23 -0.58 0.00 -1.23 0.00 0.00 61.79 60.02 1r79 h SER 73 Cb 0.89 -0.27 0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1r79 h SER 73 CO -0.03 1.00 0.88 -0.11 -0.53 0.00 0.00 176.83 178.03 1r79 n LEU 74 N -4.27 3.29 -0.07 2.23 7.94 -0.14 -4.90 117.00 121.08 1r79 n LEU 74 Ca 0.05 1.06 -0.15 0.00 -1.11 0.00 0.00 56.01 55.86 1r79 n LEU 74 Cb 0.25 -1.44 -0.05 0.00 0.53 0.00 0.00 43.42 42.71 1r79 n LEU 74 CO 0.42 -0.18 -0.90 0.18 -1.11 0.00 0.00 177.39 175.80 1r79 n LEU 75 N 4.02 1.37 -2.77 -1.96 4.77 -1.26 -5.02 117.00 116.15 1r79 n LEU 75 Ca 0.18 0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 56.13 1r79 n LEU 75 Cb 0.30 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1r79 n LEU 75 CO 0.65 0.11 -0.36 0.35 -1.33 0.00 0.00 177.39 176.81 1r79 n THR 76 N -3.90 0.18 -2.78 -5.08 -2.24 -1.26 -4.95 114.28 94.26 1r79 n THR 76 Ca -0.27 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 1r79 n THR 76 Cb 0.62 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.65 2.37 0.22 -0.78 1.02 -1.26 -5.02 119.74 115.63 1r79 s LYS 77 Ca 0.38 -1.12 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1r79 s LYS 77 Cb -0.36 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1r79 s LYS 77 CO 0.42 -0.81 0.33 0.00 -0.92 0.00 0.00 175.35 174.38 1r79 n SER 79 N -1.17 1.98 0.00 0.00 2.88 -1.26 -4.29 113.62 111.77 1r79 n SER 79 Ca -0.08 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1r79 n SER 79 Cb 0.56 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 1.70 3.23 0.27 0.46 0.00 -1.26 -4.87 105.19 104.72 1r79 n GLY 80 Ca -0.38 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -1.26 1.61 0.13 -1.93 -3.40 132.00 127.15 1r79 h PRO 81 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 1r79 h PRO 81 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1r79 h PRO 81 CO 0.00 0.05 0.76 -1.54 -0.23 0.00 0.00 178.00 177.05 1r79 s SER 82 N -5.80 -0.18 0.16 1.44 1.04 -1.26 -5.00 113.70 104.10 1r79 s SER 82 Ca 0.00 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1r79 s SER 82 Cb 0.10 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1r79 s SER 82 CO 0.56 -0.12 0.00 -0.24 0.98 0.00 0.00 173.24 174.42 1r79 n SER 83 N 1.11 0.45 -0.66 7.02 2.88 -1.26 -5.18 113.62 117.99 1r79 n SER 83 Ca -0.07 0.27 0.08 0.00 -1.33 0.00 0.00 58.87 57.82 1r79 n SER 83 Cb 0.58 0.01 0.07 0.00 -0.75 0.00 0.00 64.21 64.11 1r79 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42