#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 4.16 0.45 1.61 1.04 -1.26 -5.16 113.70 114.55 1r79 s SER 2 Ca 0.00 -1.25 0.07 0.00 0.48 0.00 0.00 55.95 55.24 1r79 s SER 2 Cb 0.00 -0.35 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 1r79 s SER 2 CO 0.00 -0.54 0.25 -0.44 0.98 0.00 0.00 173.24 173.49 1r79 s SER 3 N -3.83 4.55 0.00 7.02 0.01 -1.26 -5.12 113.70 115.07 1r79 s SER 3 Ca 0.36 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.52 1r79 s SER 3 Cb 0.06 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1r79 s SER 3 CO 0.19 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1r79 n GLY 4 N -1.41 2.41 3.78 3.44 0.00 -1.26 -5.19 105.19 106.96 1r79 n GLY 4 Ca -0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 2.00 -0.26 0.21 1.61 0.15 -1.26 -5.19 113.70 110.96 1r79 s SER 5 Ca 0.00 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 55.84 1r79 s SER 5 Cb 0.00 0.69 0.07 0.00 -1.71 0.00 0.00 66.02 65.07 1r79 s SER 5 CO 0.00 -1.28 0.98 -0.94 1.20 0.00 0.00 173.24 173.20 1r79 s SER 6 N -2.92 -0.04 0.00 5.45 1.04 -1.26 -5.18 113.70 110.79 1r79 s SER 6 Ca 0.12 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1r79 s SER 6 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1r79 s SER 6 CO 0.05 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1r79 n GLY 7 N -0.61 3.97 3.14 7.32 0.00 -1.26 -5.18 105.19 112.57 1r79 n GLY 7 Ca -0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 2.50 0.85 -0.02 2.61 -1.32 -1.26 -5.16 115.64 113.85 1r79 s THR 8 Ca 0.00 -1.42 0.01 0.00 -1.21 0.00 0.00 61.69 59.07 1r79 s THR 8 Cb 0.00 -1.09 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 1r79 s THR 8 CO 0.00 -0.45 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.03 1r79 s THR 9 N -1.94 0.37 -0.32 5.08 2.01 -1.26 -5.13 115.64 114.46 1r79 s THR 9 Ca -0.00 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 1r79 s THR 9 Cb -0.06 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1r79 s THR 9 CO 0.00 0.14 0.51 -0.22 -0.69 0.00 0.00 174.62 174.36 1r79 s LEU 10 N 0.30 4.22 0.44 4.42 1.98 -1.26 -5.06 118.68 123.73 1r79 s LEU 10 Ca -0.03 0.17 -0.19 0.00 -2.89 0.00 0.00 54.13 51.19 1r79 s LEU 10 Cb -0.07 -2.60 -0.10 0.00 0.66 0.00 0.00 46.19 44.08 1r79 s LEU 10 CO -0.00 -0.40 0.94 0.00 -1.89 0.00 0.00 176.35 175.00 1r79 s ALA 11 N 2.35 3.07 0.20 5.97 0.00 -1.26 -5.08 121.76 127.02 1r79 s ALA 11 Ca 0.19 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1r79 s ALA 11 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1r79 s ALA 11 CO 0.12 0.05 0.00 -1.54 0.00 0.00 0.00 175.76 174.39 1r79 s SER 12 N -2.44 1.49 0.13 0.00 1.04 -1.26 -5.16 113.70 107.51 1r79 s SER 12 Ca 0.60 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.89 1r79 s SER 12 Cb -0.09 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1r79 s SER 12 CO 0.18 -0.55 -0.01 0.27 0.98 0.00 0.00 173.24 174.11 1r79 s ILE 13 N -3.55 3.78 0.00 -1.02 -5.25 -1.26 -5.13 121.20 108.77 1r79 s ILE 13 Ca 0.27 -1.24 0.00 0.00 -0.99 0.00 0.00 60.65 58.68 1r79 s ILE 13 Cb 0.06 -2.85 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 0.00 174.94 173.83 1r79 n GLY 14 N 0.23 2.90 3.42 6.27 0.00 -1.26 -5.15 105.19 111.60 1r79 n GLY 14 Ca -0.11 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 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 3.28 0.43 -0.17 1.61 0.00 -1.26 -5.14 119.74 118.49 1r79 s LYS 15 Ca 0.00 1.20 -0.25 0.00 0.00 0.00 0.00 55.97 56.93 1r79 s LYS 15 Cb 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 37.83 38.37 1r79 s LYS 15 CO 0.00 -0.24 0.81 0.16 0.00 0.00 0.00 175.35 176.08 1r79 s ASP 16 N 2.73 6.93 0.11 0.03 -4.77 -1.26 -5.00 116.67 115.44 1r79 s ASP 16 Ca -0.03 1.14 -0.31 0.00 -3.30 0.00 0.00 52.55 50.05 1r79 s ASP 16 Cb -0.12 -2.44 -0.10 0.00 -1.09 0.00 0.00 42.92 39.16 1r79 s ASP 16 CO -0.15 -0.38 1.87 -0.38 0.70 0.00 0.00 175.17 176.82 1r79 n ILE 17 N 4.71 0.45 -1.76 2.11 2.08 -1.26 -4.90 119.36 120.79 1r79 n ILE 17 Ca 0.04 -0.08 -0.42 0.00 0.56 0.00 0.00 62.75 62.85 1r79 n ILE 17 Cb 0.49 -2.16 -0.03 0.00 -0.75 0.00 0.00 39.64 37.18 1r79 n ILE 17 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1r79 s ILE 18 N 3.08 2.13 0.01 1.39 -0.00 -1.26 -4.85 121.20 121.69 1r79 s ILE 18 Ca 0.83 0.08 0.00 0.00 -0.00 0.00 0.00 60.65 61.57 1r79 s ILE 18 Cb -0.47 -3.05 0.00 0.00 -0.00 0.00 0.00 42.46 38.93 1r79 s ILE 18 CO 0.38 0.01 0.00 1.21 -0.00 0.00 0.00 174.94 176.54 1r79 n GLU 19 N 4.04 0.00 -3.67 0.37 4.07 -1.26 -5.01 120.64 119.18 1r79 n GLU 19 Ca 0.16 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.87 1r79 n GLU 19 Cb 0.36 -0.21 -0.10 0.00 -0.06 0.00 0.00 31.44 31.43 1r79 n GLU 19 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 1r79 s ASP 20 N -5.01 5.47 -0.66 4.31 -4.77 -1.26 -4.49 116.67 110.26 1r79 s ASP 20 Ca 0.00 -1.91 0.04 0.00 -3.30 0.00 0.00 52.55 47.38 1r79 s ASP 20 Cb 0.00 -1.92 0.33 0.00 -1.09 0.00 0.00 42.92 40.25 1r79 s ASP 20 CO 0.00 -0.60 1.09 0.00 0.70 0.00 0.00 175.17 176.36 1r79 n ALA 21 N 4.76 4.89 -3.59 2.11 0.00 -1.26 -4.86 120.51 122.56 1r79 n ALA 21 Ca -0.06 -4.70 -0.22 0.00 0.00 0.00 0.00 53.44 48.47 1r79 n ALA 21 Cb 0.41 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.15 -3.62 0.00 0.00 9.92 -1.26 -4.73 116.55 116.70 1r79 n ASP 22 Ca 0.33 -0.65 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 1r79 n ASP 22 Cb 0.37 -4.76 0.00 0.00 -0.64 0.00 0.00 41.12 36.09 1r79 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r79 n GLY 23 N -1.56 -0.49 2.73 0.44 0.00 -1.26 -5.13 105.19 99.92 1r79 n GLY 23 Ca -0.15 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 0.87 -0.76 -0.61 -0.00 -1.26 -4.75 119.36 112.85 1r79 n ILE 24 Ca 0.00 -0.41 -0.10 0.00 -0.00 0.00 0.00 62.75 62.24 1r79 n ILE 24 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.65 1r79 n ILE 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1r79 n ALA 25 N -0.58 4.75 -1.70 -1.39 0.00 -1.26 -4.93 120.51 115.39 1r79 n ALA 25 Ca 0.11 -1.03 -0.57 0.00 0.00 0.00 0.00 53.44 51.95 1r79 n ALA 25 Cb 0.29 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 1r79 n ALA 25 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1r79 n MET 26 N 0.90 1.22 -0.57 0.00 2.81 -1.26 -4.87 117.12 115.35 1r79 n MET 26 Ca 0.19 0.45 -0.16 0.00 -1.81 0.00 0.00 57.70 56.36 1r79 n MET 26 Cb 0.56 -2.14 0.14 0.00 -0.71 0.00 0.00 33.22 31.07 1r79 n MET 26 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1r79 n PRO 27 N 5.26 -2.19 -3.51 0.03 -0.04 -1.26 -2.32 135.00 130.97 1r79 n PRO 27 Ca 0.26 -0.96 -0.42 0.00 -0.04 0.00 0.00 63.50 62.34 1r79 n PRO 27 Cb 0.14 -0.90 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 -2.08 3.24 -0.97 0.54 3.76 -1.26 -4.45 115.29 114.07 1r79 s HIS 28 Ca 0.39 -0.76 -0.24 0.00 -0.15 0.00 0.00 55.06 54.31 1r79 s HIS 28 Cb -0.04 -2.55 0.02 0.00 1.11 0.00 0.00 32.58 31.12 1r79 s HIS 28 CO 0.30 -0.62 1.59 -1.14 -0.85 0.00 0.00 174.74 174.02 1r79 s GLN 29 N 1.63 3.26 0.31 1.40 2.00 -1.26 -4.98 119.66 122.03 1r79 s GLN 29 Ca 0.04 -0.82 -0.27 0.00 -2.00 0.00 0.00 55.36 52.31 1r79 s GLN 29 Cb -0.19 -5.22 -0.09 0.00 0.80 0.00 0.00 33.01 28.31 1r79 s GLN 29 CO 0.09 -2.55 0.99 -1.58 -0.50 0.00 0.00 175.29 171.74 1r79 s TRP 30 N 6.55 3.64 -0.25 1.67 0.52 -1.26 -2.56 118.94 127.25 1r79 s TRP 30 Ca 0.53 1.77 -0.00 0.00 0.02 0.00 0.00 56.10 58.41 1r79 s TRP 30 Cb -0.02 -3.04 0.07 0.00 -1.15 0.00 0.00 33.47 29.32 1r79 s TRP 30 CO -0.06 -0.05 0.01 -1.17 0.02 0.00 0.00 176.95 175.70 1r79 s LEU 31 N -1.89 2.29 0.24 2.99 2.96 -0.82 -4.89 118.68 119.55 1r79 s LEU 31 Ca 0.49 -1.26 -0.31 0.00 -0.22 0.00 0.00 54.13 52.82 1r79 s LEU 31 Cb -0.23 -0.98 -0.14 0.00 0.50 0.00 0.00 46.19 45.34 1r79 s LEU 31 CO 0.29 -0.31 1.33 1.21 -1.32 0.00 0.00 176.35 177.55 1r79 n GLU 32 N 4.78 1.82 0.00 1.98 2.13 -1.26 -2.82 120.64 127.27 1r79 n GLU 32 Ca -0.08 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1r79 n GLU 32 Cb 0.44 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.90 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 1.97 -0.20 3.03 8.31 0.00 0.23 -4.86 105.19 113.67 1r79 n GLY 33 Ca 0.12 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.90 -4.00 -4.83 1.61 4.13 -1.26 -4.64 115.26 103.37 1r79 n ASN 34 Ca 0.00 -0.57 -0.30 0.00 1.68 0.00 0.00 54.58 55.39 1r79 n ASN 34 Cb 0.00 -4.48 -0.05 0.00 -1.54 0.00 0.00 39.78 33.71 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 -5.37 4.00 0.89 3.41 2.01 -1.26 -4.92 118.68 117.44 1r79 s LEU 35 Ca 0.20 0.07 -0.11 0.00 0.01 0.00 0.00 54.13 54.29 1r79 s LEU 35 Cb -0.03 -2.64 0.13 0.00 0.01 0.00 0.00 46.19 43.66 1r79 s LEU 35 CO 0.63 0.16 1.09 -2.16 1.01 0.00 0.00 176.35 177.07 1r79 s PRO 36 N -2.53 1.28 0.00 1.29 0.04 -1.26 -4.76 135.00 129.06 1r79 s PRO 36 Ca 0.31 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1r79 s PRO 36 Cb -0.12 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1r79 s PRO 36 CO 0.24 -2.23 0.89 0.28 0.04 0.00 0.00 177.00 176.22 1r79 n VAL 37 N -3.87 0.00 -0.81 -0.36 0.31 -1.26 -2.69 118.33 109.64 1r79 n VAL 37 Ca 0.07 1.39 -0.10 0.00 -0.01 0.00 0.00 64.34 65.69 1r79 n VAL 37 Cb 0.55 -2.27 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 1r79 n VAL 37 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1r79 n SER 38 N -1.87 5.82 -4.42 4.52 7.64 -1.26 -4.72 113.62 119.33 1r79 n SER 38 Ca 0.00 -2.72 -0.32 0.00 1.01 0.00 0.00 58.87 56.83 1r79 n SER 38 Cb 0.00 -1.16 0.15 0.00 -1.01 0.00 0.00 64.21 62.18 1r79 n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r79 n ALA 39 N 1.21 -2.72 -3.37 -0.43 0.00 -1.10 -4.99 120.51 109.12 1r79 n ALA 39 Ca 0.22 -0.77 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 1r79 n ALA 39 Cb 0.60 -1.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 1r79 n ALA 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1r79 s LYS 40 N -3.76 0.78 0.02 0.00 2.47 -1.26 -3.84 119.74 114.14 1r79 s LYS 40 Ca 0.59 0.16 -0.19 0.00 -1.56 0.00 0.00 55.97 54.97 1r79 s LYS 40 Cb -0.20 0.36 -0.06 0.00 -1.46 0.00 0.00 37.83 36.47 1r79 s LYS 40 CO 0.66 -0.20 0.54 0.00 0.16 0.00 0.00 175.35 176.51 1r79 n THR 42 N 2.17 1.82 0.00 0.00 5.66 -0.56 -1.69 114.28 121.68 1r79 n THR 42 Ca -0.10 -1.02 0.00 0.00 -3.05 0.00 0.00 64.05 59.88 1r79 n THR 42 Cb 0.51 -0.14 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 0.68 0.00 0.00 1.08 0.31 -1.26 -4.84 118.33 114.30 1r79 n VAL 43 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1r79 n VAL 43 Cb 0.87 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 -0.99 -3.87 -3.95 0.00 2.03 -0.68 -5.00 116.55 104.08 1r79 n ASP 45 Ca 0.00 -0.40 -0.30 0.00 0.52 0.00 0.00 54.79 54.61 1r79 n ASP 45 Cb 0.00 -3.71 -0.16 0.00 -0.72 0.00 0.00 41.12 36.53 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 -5.54 1.75 0.09 -0.67 -0.14 -1.26 -4.79 119.74 109.18 1r79 s LYS 46 Ca 0.25 -0.89 -0.23 0.00 -1.36 0.00 0.00 55.97 53.74 1r79 s LYS 46 Cb -0.11 -2.47 -0.13 0.00 -1.68 0.00 0.00 37.83 33.45 1r79 s LYS 46 CO 0.51 -0.52 0.50 -2.37 -0.76 0.00 0.00 175.35 172.71 1r79 n THR 47 N 4.70 0.92 0.00 2.17 5.66 -1.26 -3.64 114.28 122.82 1r79 n THR 47 Ca -0.13 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1r79 n THR 47 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 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 3.25 0.00 3.02 0.00 0.00 -1.26 -4.89 105.19 105.31 1r79 n GLY 49 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1r79 n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r79 s SER 50 N -0.31 5.20 0.00 1.61 0.01 -1.26 -4.97 113.70 113.98 1r79 s SER 50 Ca 0.00 -3.41 0.00 0.00 1.31 0.00 0.00 55.95 53.85 1r79 s SER 50 Cb 0.00 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.45 1r79 s SER 50 CO 0.00 -0.21 0.65 0.52 0.41 0.00 0.00 173.24 174.61 1r79 n VAL 51 N 2.67 0.00 0.26 3.43 0.31 -1.26 0.25 118.33 123.99 1r79 n VAL 51 Ca 0.15 1.12 0.14 0.00 -0.01 0.00 0.00 64.34 65.73 1r79 n VAL 51 Cb 0.36 -2.05 0.67 0.00 -0.91 0.00 0.00 33.84 31.91 1r79 n VAL 51 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1r79 h LEU 52 N 0.00 0.00 0.00 7.52 8.10 -2.02 -2.67 115.31 126.24 1r79 h LEU 52 Ca 0.00 0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.76 1r79 h LEU 52 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 1r79 h LEU 52 CO 0.00 0.11 -1.45 0.03 -4.11 0.00 0.00 178.44 173.03 1r79 h ARG 53 N 0.00 0.00 -4.79 0.17 2.47 -1.95 -3.47 114.38 106.82 1r79 h ARG 53 Ca -0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 1r79 h ARG 53 Cb 0.49 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.65 1r79 h ARG 53 CO 0.01 0.50 -0.38 1.47 0.56 0.00 0.00 179.97 182.14 1r79 n LEU 54 N -3.05 -0.34 -0.09 3.04 -0.00 0.69 -4.67 117.00 112.57 1r79 n LEU 54 Ca -0.11 -0.45 -0.17 0.00 -0.00 0.00 0.00 56.01 55.28 1r79 n LEU 54 Cb 0.95 -0.80 -0.13 0.00 -0.00 0.00 0.00 43.42 43.44 1r79 n LEU 54 CO 0.44 0.04 -1.15 0.00 -0.00 0.00 0.00 177.39 176.73 1r79 n GLN 55 N -2.19 0.68 -1.57 1.47 6.02 -1.26 -0.21 117.38 120.32 1r79 n GLN 55 Ca 0.05 0.15 -0.45 0.00 -0.01 0.00 0.00 57.00 56.74 1r79 n GLN 55 Cb 0.25 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.19 1.06 -4.62 1.08 8.00 -1.26 -3.76 116.55 113.85 1r79 n ASP 56 Ca -0.39 1.17 -0.34 0.00 0.71 0.00 0.00 54.79 55.94 1r79 n ASP 56 Cb 1.04 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.00 3.18 -0.04 1.24 0.52 -1.08 0.78 118.94 122.54 1r79 s TRP 57 Ca 0.60 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.75 1r79 s TRP 57 Cb -0.73 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 29.65 1r79 s TRP 57 CO 0.59 0.22 -0.05 -0.98 0.02 0.00 0.00 176.95 176.74 1r79 s ARG 58 N -0.05 0.78 0.38 4.98 1.70 -1.13 -0.68 118.95 124.95 1r79 s ARG 58 Ca 0.04 -0.14 -0.26 0.00 -0.47 0.00 0.00 55.73 54.90 1r79 s ARG 58 Cb -0.13 -0.78 -0.09 0.00 -0.57 0.00 0.00 34.95 33.39 1r79 s ARG 58 CO 0.02 -0.02 1.14 0.00 -1.08 0.00 0.00 175.30 175.35 1r79 n LEU 60 N 0.19 0.58 -0.06 0.00 0.00 -1.06 -2.86 117.00 113.79 1r79 n LEU 60 Ca 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 56.01 55.77 1r79 n LEU 60 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 43.42 43.86 1r79 n LEU 60 CO 0.50 0.13 -0.30 0.79 0.00 0.00 0.00 177.39 178.50 1r79 n TRP 61 N -1.85 0.81 0.64 1.96 8.01 -1.26 -4.47 117.44 121.28 1r79 n TRP 61 Ca 0.01 0.35 0.12 0.00 -1.31 0.00 0.00 57.50 56.67 1r79 n TRP 61 Cb 0.43 -0.70 0.25 0.00 -2.01 0.00 0.00 31.31 29.28 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 -2.06 -3.71 -4.23 0.00 4.76 -1.14 -5.02 118.16 106.76 1r79 n LYS 63 Ca 0.04 0.71 -0.31 0.00 -2.87 0.00 0.00 58.31 55.88 1r79 n LYS 63 Cb 0.42 -5.19 -0.16 0.00 -1.84 0.00 0.00 35.03 28.26 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 2.03 -0.05 7.82 0.00 -1.23 -4.87 121.76 122.15 1r79 s ALA 64 Ca 0.19 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1r79 s ALA 64 Cb -0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1r79 s ALA 64 CO 0.61 -0.26 0.42 -1.64 0.00 0.00 0.00 175.76 174.89 1r79 s MET 65 N 1.24 4.10 0.05 0.00 -1.94 -1.26 -0.96 119.30 120.53 1r79 s MET 65 Ca 0.01 0.40 -0.06 0.00 -1.71 0.00 0.00 55.69 54.33 1r79 s MET 65 Cb -0.14 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.38 1r79 s MET 65 CO -0.08 0.47 0.12 0.14 -0.01 0.00 0.00 175.02 175.66 1r79 s VAL 66 N -0.38 0.14 0.33 -6.03 -7.23 0.15 -1.50 120.40 105.89 1r79 s VAL 66 Ca 0.24 -1.16 -0.27 0.00 -1.81 0.00 0.00 61.98 58.98 1r79 s VAL 66 Cb -0.16 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1r79 s VAL 66 CO 0.12 -0.64 1.09 -1.00 -0.31 0.00 0.00 175.10 174.35 1r79 s HIS 67 N -3.04 3.41 0.34 2.82 3.76 -1.26 -2.63 115.29 118.69 1r79 s HIS 67 Ca -0.01 1.66 0.15 0.00 -0.15 0.00 0.00 55.06 56.71 1r79 s HIS 67 Cb 0.01 -3.24 1.13 0.00 1.11 0.00 0.00 32.58 31.59 1r79 s HIS 67 CO -0.07 -0.66 1.50 2.41 -0.85 0.00 0.00 174.74 177.07 1r79 n THR 68 N 0.62 -0.40 -0.07 1.30 -1.04 -1.26 -0.44 114.28 113.00 1r79 n THR 68 Ca 0.02 1.97 -0.10 0.00 -2.04 0.00 0.00 64.05 63.90 1r79 n THR 68 Cb 0.47 -3.11 -0.08 0.00 -1.82 0.00 0.00 70.33 65.78 1r79 n THR 68 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r79 h SER 69 N 0.00 0.00 -1.36 8.00 0.02 -1.99 -3.32 113.55 114.89 1r79 h SER 69 Ca 0.74 -0.59 0.41 0.00 -0.84 0.00 0.00 61.79 61.51 1r79 h SER 69 Cb 1.87 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.32 1r79 h SER 69 CO -0.78 0.87 0.93 0.00 -1.14 0.00 0.00 176.83 176.71 1r79 h LYS 71 N 0.10 -0.10 -0.96 0.00 3.64 -0.85 0.61 116.57 119.00 1r79 h LYS 71 Ca 0.74 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 60.40 1r79 h LYS 71 Cb 2.53 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 34.34 1r79 h LYS 71 CO -0.21 -0.07 0.91 1.05 -2.27 0.00 0.00 179.45 178.86 1r79 h GLU 72 N -0.11 0.00 -0.19 1.90 4.11 -1.53 0.47 114.58 119.24 1r79 h GLU 72 Ca 0.04 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.40 1r79 h GLU 72 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1r79 h GLU 72 CO -0.27 0.00 -0.16 1.03 0.07 0.00 0.00 179.01 179.68 1r79 h SER 73 N 0.00 0.47 -1.57 3.06 0.87 0.12 -3.43 113.55 113.07 1r79 h SER 73 Ca 0.46 -0.47 -0.63 0.00 -1.23 0.00 0.00 61.79 59.92 1r79 h SER 73 Cb 2.27 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 64.09 1r79 h SER 73 CO -0.00 0.83 1.39 -0.11 -0.53 0.00 0.00 176.83 178.41 1r79 n LEU 74 N -4.50 2.76 -1.62 2.23 7.94 0.16 -4.82 117.00 119.15 1r79 n LEU 74 Ca -0.05 0.43 -0.11 0.00 -1.11 0.00 0.00 56.01 55.16 1r79 n LEU 74 Cb 0.38 -1.39 0.20 0.00 0.53 0.00 0.00 43.42 43.14 1r79 n LEU 74 CO 0.40 -0.61 0.95 0.00 -1.11 0.00 0.00 177.39 177.02 1r79 n LEU 75 N 10.01 5.26 -4.87 -1.96 -0.00 -1.26 -4.99 117.00 119.19 1r79 n LEU 75 Ca 0.34 -3.64 -0.21 0.00 -0.00 0.00 0.00 56.01 52.50 1r79 n LEU 75 Cb 0.32 -0.72 -0.03 0.00 -0.00 0.00 0.00 43.42 42.99 1r79 n LEU 75 CO 0.72 1.12 -0.04 0.42 -0.00 0.00 0.00 177.39 179.61 1r79 s THR 76 N -3.23 3.31 0.39 1.47 -4.23 -1.26 -5.14 115.64 106.95 1r79 s THR 76 Ca 0.50 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1r79 s THR 76 Cb 0.43 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1r79 s THR 76 CO 0.05 -0.12 0.39 -0.54 -0.54 0.00 0.00 174.62 173.87 1r79 s LYS 77 N -4.05 2.66 0.31 3.99 1.02 -1.26 -4.97 119.74 117.43 1r79 s LYS 77 Ca 0.44 -1.40 0.06 0.00 0.02 0.00 0.00 55.97 55.08 1r79 s LYS 77 Cb -0.05 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1r79 s LYS 77 CO 0.27 -0.13 0.44 0.00 -0.92 0.00 0.00 175.35 175.02 1r79 n SER 79 N -1.58 1.99 0.00 0.00 2.88 -1.26 -4.32 113.62 111.32 1r79 n SER 79 Ca -0.02 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1r79 n SER 79 Cb 0.58 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 2.16 3.80 0.00 0.46 0.00 -1.26 -4.81 105.19 105.54 1r79 n GLY 80 Ca -0.46 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.75 0.39 -3.57 1.61 -0.04 -1.26 -4.36 135.00 126.02 1r79 n PRO 81 Ca 0.00 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 1r79 n PRO 81 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.19 -0.24 -0.09 3.54 1.04 -1.26 -4.96 113.70 109.53 1r79 s SER 82 Ca 0.20 0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.53 1r79 s SER 82 Cb 0.10 0.23 -0.28 0.00 0.10 0.00 0.00 66.02 66.18 1r79 s SER 82 CO 0.20 -0.34 0.66 0.28 0.98 0.00 0.00 173.24 175.01 1r79 h SER 83 N 2.13 0.36 0.00 7.02 0.02 -1.94 -3.51 113.55 117.63 1r79 h SER 83 Ca -0.15 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 1r79 h SER 83 Cb 1.19 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1r79 h SER 83 CO 0.27 1.49 0.00 0.61 -1.14 0.00 0.00 176.83 178.06