#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni s SER 1 N 0.00 -0.52 -0.45 1.61 0.15 -1.26 -5.04 113.70 108.19 2pni s SER 1 Ca 0.00 0.72 -0.20 0.00 0.70 0.00 0.00 55.95 57.17 2pni s SER 1 Cb 0.00 0.71 0.03 0.00 -1.71 0.00 0.00 66.02 65.05 2pni s SER 1 CO 0.00 -0.42 0.62 0.80 1.20 0.00 0.00 173.24 175.44 2pni n MET 1 N 1.69 -2.25 -2.82 5.44 1.56 -1.26 -5.01 117.12 114.47 2pni n MET 1 Ca -0.18 1.95 -0.09 0.00 -0.27 0.00 0.00 57.70 59.12 2pni n MET 1 Cb 0.56 -4.95 0.02 0.00 2.15 0.00 0.00 33.22 31.00 2pni n MET 1 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2pni n SER 2 N -0.37 -2.79 -4.57 6.12 3.41 -1.26 -5.10 113.62 109.07 2pni n SER 2 Ca 0.07 -3.08 -0.43 0.00 -0.26 0.00 0.00 58.87 55.18 2pni n SER 2 Cb 0.51 1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 65.95 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pni s ALA 3 N 0.60 3.10 -0.78 7.33 0.00 -1.26 -4.86 121.76 125.89 2pni s ALA 3 Ca 0.32 -0.88 0.24 0.00 0.00 0.00 0.00 51.96 51.64 2pni s ALA 3 Cb 0.13 -3.88 0.38 0.00 0.00 0.00 0.00 23.12 19.75 2pni s ALA 3 CO -0.16 -2.45 1.32 0.39 0.00 0.00 0.00 175.76 174.86 2pni n GLU 4 N 7.92 0.17 0.00 0.00 1.02 -1.26 -4.97 120.64 123.52 2pni n GLU 4 Ca 0.07 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2pni n GLU 4 Cb 0.49 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2pni n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pni n GLY 5 N 1.41 0.90 3.69 0.62 0.00 -1.18 -3.02 105.19 107.61 2pni n GLY 5 Ca 0.04 0.40 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 2pni n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 6 N 2.05 2.80 0.13 1.61 2.02 -1.26 -2.63 117.35 122.08 2pni s TYR 6 Ca 0.00 -0.19 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 2pni s TYR 6 Cb 0.00 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2pni s TYR 6 CO 0.00 0.59 -0.08 -0.65 -1.57 0.00 0.00 175.55 173.84 2pni s GLN 7 N -3.67 0.98 0.10 -0.62 -0.21 -0.80 -1.98 119.66 113.45 2pni s GLN 7 Ca 0.31 -1.41 -0.00 0.00 0.02 0.00 0.00 55.36 54.28 2pni s GLN 7 Cb -0.07 -0.44 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 2pni s GLN 7 CO 0.21 0.03 -0.01 0.71 -2.12 0.00 0.00 175.29 174.11 2pni s TYR 8 N -3.46 0.79 -0.21 0.91 1.51 -0.73 -2.46 117.35 113.70 2pni s TYR 8 Ca 0.15 -1.07 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 2pni s TYR 8 Cb 0.04 -0.48 0.05 0.00 -0.11 0.00 0.00 41.96 41.45 2pni s TYR 8 CO -0.01 -0.34 -0.07 1.03 -1.11 0.00 0.00 175.55 175.04 2pni s ARG 9 N -3.93 1.74 -0.33 -0.62 0.52 0.22 -2.21 118.95 114.34 2pni s ARG 9 Ca 0.15 -0.83 -0.32 0.00 -0.52 0.00 0.00 55.73 54.21 2pni s ARG 9 Cb 0.07 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 33.05 2pni s ARG 9 CO -0.04 -0.50 2.24 0.00 0.02 0.00 0.00 175.30 177.02 2pni n ALA 10 N 4.72 1.28 0.60 2.13 0.00 -0.13 -0.47 120.51 128.64 2pni n ALA 10 Ca -0.13 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.23 2pni n ALA 10 Cb 0.46 -2.72 0.12 0.00 0.00 0.00 0.00 19.45 17.31 2pni n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2pni n LEU 11 N 11.00 0.65 -3.94 0.00 7.94 -0.84 -2.22 117.00 129.59 2pni n LEU 11 Ca 0.38 0.12 -0.14 0.00 -1.11 0.00 0.00 56.01 55.25 2pni n LEU 11 Cb 0.32 -0.15 -0.14 0.00 0.53 0.00 0.00 43.42 43.98 2pni n LEU 11 CO 0.73 -0.00 -0.39 -0.31 -1.11 0.00 0.00 177.39 176.31 2pni s TYR 12 N -3.17 0.34 -0.31 1.96 1.51 -1.16 -4.90 117.35 111.61 2pni s TYR 12 Ca 0.06 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 2pni s TYR 12 Cb 0.14 -0.22 0.01 0.00 -0.11 0.00 0.00 41.96 41.78 2pni s TYR 12 CO 0.75 -0.02 1.21 0.34 -1.11 0.00 0.00 175.55 176.72 2pni s ASP 13 N -0.29 6.77 -0.04 2.29 2.15 -1.21 -4.32 116.67 122.02 2pni s ASP 13 Ca -0.01 1.11 0.05 0.00 0.43 0.00 0.00 52.55 54.13 2pni s ASP 13 Cb -0.03 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 2pni s ASP 13 CO -0.00 -1.01 -0.17 -0.47 -0.17 0.00 0.00 175.17 173.34 2pni s TYR 14 N 4.10 1.70 0.50 -5.34 5.04 -0.37 -4.93 117.35 118.04 2pni s TYR 14 Ca 0.52 -0.46 -0.03 0.00 -2.44 0.00 0.00 57.07 54.66 2pni s TYR 14 Cb -0.15 -1.14 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 2pni s TYR 14 CO 0.21 -0.14 0.76 0.21 -1.34 0.00 0.00 175.55 175.25 2pni s LYS 15 N -0.05 3.15 0.09 4.97 2.20 -1.26 -0.60 119.74 128.24 2pni s LYS 15 Ca -0.02 -0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 55.23 2pni s LYS 15 Cb -0.11 -2.43 -0.07 0.00 -1.51 0.00 0.00 37.83 33.71 2pni s LYS 15 CO 0.02 -0.37 0.58 -1.59 -0.36 0.00 0.00 175.35 173.63 2pni s LYS 16 N -4.72 4.20 0.08 4.03 -2.85 -1.26 -4.86 119.74 114.36 2pni s LYS 16 Ca 0.49 0.74 0.17 0.00 -1.00 0.00 0.00 55.97 56.37 2pni s LYS 16 Cb -0.10 -3.20 -0.12 0.00 -2.06 0.00 0.00 37.83 32.35 2pni s LYS 16 CO 0.42 0.61 0.86 0.93 0.10 0.00 0.00 175.35 178.27 2pni h GLU 17 N 4.40 0.00 -3.65 1.78 5.08 -1.91 -3.48 114.58 116.80 2pni h GLU 17 Ca -0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 2pni h GLU 17 Cb 1.21 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.33 2pni h GLU 17 CO 0.64 0.27 -0.22 -0.98 -1.00 0.00 0.00 179.01 177.72 2pni s ARG 18 N -2.96 1.07 0.33 2.33 1.70 -1.26 -5.02 118.95 115.14 2pni s ARG 18 Ca -0.02 -0.94 0.14 0.00 -0.47 0.00 0.00 55.73 54.43 2pni s ARG 18 Cb 0.09 0.41 0.75 0.00 -0.57 0.00 0.00 34.95 35.63 2pni s ARG 18 CO 0.81 -0.40 1.33 -0.85 -1.08 0.00 0.00 175.30 175.10 2pni n GLU 19 N -0.19 0.09 0.02 3.89 0.00 -1.26 -1.54 120.64 121.65 2pni n GLU 19 Ca -0.12 0.58 -0.18 0.00 0.00 0.00 0.00 57.16 57.43 2pni n GLU 19 Cb 0.63 -2.08 -0.11 0.00 0.00 0.00 0.00 31.44 29.88 2pni n GLU 19 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2pni h GLU 20 N 0.00 0.51 -6.42 3.44 4.81 -1.98 -3.45 114.58 111.50 2pni h GLU 20 Ca 0.00 -0.55 -0.54 0.00 -0.13 0.00 0.00 59.36 58.14 2pni h GLU 20 Cb 0.56 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2pni h GLU 20 CO 0.00 1.18 -0.05 -0.51 -0.73 0.00 0.00 179.01 178.91 2pni s ASP 21 N -6.94 6.81 0.50 1.04 1.11 -0.59 -3.74 116.67 114.85 2pni s ASP 21 Ca -0.12 1.11 0.08 0.00 0.18 0.00 0.00 52.55 53.79 2pni s ASP 21 Cb 0.05 -2.30 0.04 0.00 1.07 0.00 0.00 42.92 41.78 2pni s ASP 21 CO 0.86 0.02 0.68 0.27 1.18 0.00 0.00 175.17 178.18 2pni s ILE 22 N -1.60 2.65 0.26 0.77 -4.36 -1.25 -4.67 121.20 112.99 2pni s ILE 22 Ca 0.42 -0.95 -0.29 0.00 -0.26 0.00 0.00 60.65 59.57 2pni s ILE 22 Cb -0.14 -2.70 -0.09 0.00 1.25 0.00 0.00 42.46 40.78 2pni s ILE 22 CO 0.20 0.00 0.96 -1.81 0.24 0.00 0.00 174.94 174.52 2pni s ASP 23 N -4.48 7.56 -0.02 4.36 1.11 -1.26 -4.23 116.67 119.72 2pni s ASP 23 Ca 0.58 1.97 0.05 0.00 0.18 0.00 0.00 52.55 55.33 2pni s ASP 23 Cb -0.08 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.29 2pni s ASP 23 CO 0.36 0.09 -0.18 -0.76 1.18 0.00 0.00 175.17 175.86 2pni s LEU 24 N -1.33 2.01 0.00 1.23 1.43 0.23 -5.01 118.68 117.24 2pni s LEU 24 Ca 0.43 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2pni s LEU 24 Cb -0.26 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.01 2pni s LEU 24 CO 0.32 0.21 0.00 1.41 0.23 0.00 0.00 176.35 178.52 2pni n HIS 25 N 2.75 0.00 -4.22 0.29 8.25 -1.26 -1.24 115.22 119.78 2pni n HIS 25 Ca -0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 2pni n HIS 25 Cb 0.53 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2pni s LEU 26 N 0.00 3.67 0.00 2.41 1.43 -1.26 -3.33 118.68 121.60 2pni s LEU 26 Ca 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2pni s LEU 26 Cb 0.00 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2pni s LEU 26 CO 0.00 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2pni n GLY 27 N 1.42 0.00 3.77 -3.19 0.00 -0.94 -4.94 105.19 101.32 2pni n GLY 27 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2pni n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 28 N -2.00 6.36 0.04 1.61 1.11 -1.26 -4.85 116.67 117.68 2pni s ASP 28 Ca 0.00 2.42 0.03 0.00 0.18 0.00 0.00 52.55 55.19 2pni s ASP 28 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2pni s ASP 28 CO 0.00 -0.79 -0.01 -0.63 1.18 0.00 0.00 175.17 174.91 2pni s ILE 29 N -1.40 3.99 -0.07 0.77 1.09 -1.26 -0.96 121.20 123.36 2pni s ILE 29 Ca 0.59 -0.80 0.02 0.00 -1.10 0.00 0.00 60.65 59.36 2pni s ILE 29 Cb -0.32 -2.82 0.01 0.00 -1.06 0.00 0.00 42.46 38.27 2pni s ILE 29 CO 0.41 0.27 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.64 2pni s LEU 30 N -1.84 1.62 0.12 2.97 1.02 -0.94 -4.37 118.68 117.26 2pni s LEU 30 Ca 0.22 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 54.10 2pni s LEU 30 Cb -0.11 -0.84 -0.04 0.00 0.02 0.00 0.00 46.19 45.21 2pni s LEU 30 CO 0.13 0.02 0.08 -0.89 0.02 0.00 0.00 176.35 175.71 2pni s THR 31 N 0.75 4.37 0.14 5.49 2.01 -1.05 -1.78 115.64 125.58 2pni s THR 31 Ca -0.13 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.91 2pni s THR 31 Cb -0.16 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 2pni s THR 31 CO 0.03 0.01 0.06 0.52 -0.69 0.00 0.00 174.62 174.55 2pni n VAL 32 N 0.11 0.00 -1.95 3.82 0.31 -0.84 -2.81 118.33 116.97 2pni n VAL 32 Ca -0.09 -0.86 -0.30 0.00 -0.01 0.00 0.00 64.34 63.08 2pni n VAL 32 Cb 0.53 0.32 0.02 0.00 -0.91 0.00 0.00 33.84 33.80 2pni n VAL 32 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2pni s ASN 33 N -1.90 6.09 0.45 4.52 0.01 -1.26 -3.09 114.94 119.77 2pni s ASN 33 Ca 0.08 1.32 0.17 0.00 -0.71 0.00 0.00 52.86 53.72 2pni s ASN 33 Cb 0.00 -2.35 1.12 0.00 0.41 0.00 0.00 41.25 40.43 2pni s ASN 33 CO 0.06 -0.92 1.97 0.07 -1.51 0.00 0.00 177.10 176.76 2pni h LYS 34 N -0.32 0.31 -0.70 -0.60 2.10 -1.90 -2.42 116.57 113.04 2pni h LYS 34 Ca -0.44 -0.02 -0.44 0.00 -2.00 0.00 0.00 60.65 57.75 2pni h LYS 34 Cb 1.20 -0.07 -0.42 0.00 -0.90 0.00 0.00 32.23 32.04 2pni h LYS 34 CO 0.62 0.21 -0.93 0.41 -2.00 0.00 0.00 179.45 177.76 2pni n GLY 35 N -1.55 4.60 0.22 0.07 0.00 -1.26 -4.85 105.19 102.43 2pni n GLY 35 Ca 0.11 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 44.21 2pni n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2pni h SER 36 N 2.38 0.00 -0.34 1.61 0.87 -1.80 -0.34 113.55 115.93 2pni h SER 36 Ca 0.17 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2pni h SER 36 Cb 1.40 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.32 2pni h SER 36 CO 0.56 0.00 0.12 -0.07 -0.53 0.00 0.00 176.83 176.91 2pni h LEU 37 N 0.00 0.13 -0.06 2.23 3.38 -1.88 -2.71 115.31 116.40 2pni h LEU 37 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pni h LEU 37 Cb 0.03 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pni h LEU 37 CO 0.00 0.11 0.00 0.52 0.09 0.00 0.00 178.44 179.16 2pni n VAL 38 N -5.02 0.62 -0.24 1.22 0.31 -0.14 -2.46 118.33 112.63 2pni n VAL 38 Ca 0.01 0.13 0.31 0.00 -0.01 0.00 0.00 64.34 64.78 2pni n VAL 38 Cb 0.12 -0.82 0.73 0.00 -0.91 0.00 0.00 33.84 32.97 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni h ALA 39 N 2.65 2.95 0.00 3.52 0.00 -1.51 -1.77 119.26 125.10 2pni h ALA 39 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 2pni h ALA 39 Cb 0.37 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2pni h ALA 39 CO 0.00 -1.24 -2.19 1.28 0.00 0.00 0.00 179.25 177.10 2pni n LEU 40 N -4.24 2.07 0.00 0.00 7.99 -1.18 -5.01 117.00 116.64 2pni n LEU 40 Ca 0.21 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2pni n LEU 40 Cb 1.07 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.99 2pni n LEU 40 CO 0.39 0.72 0.00 0.61 -1.51 0.00 0.00 177.39 177.61 2pni n GLY 41 N 2.33 1.64 3.60 -0.72 0.00 -0.67 -5.15 105.19 106.22 2pni n GLY 41 Ca -0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 2pni n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pni s PHE 42 N -1.72 0.99 0.40 1.61 0.08 -1.03 -4.93 117.98 113.38 2pni s PHE 42 Ca 0.00 0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.74 2pni s PHE 42 Cb 0.00 -3.35 -0.00 0.00 -0.57 0.00 0.00 43.02 39.09 2pni s PHE 42 CO 0.00 -3.63 0.04 -1.13 -0.10 0.00 0.00 175.22 170.39 2pni n SER 43 N -4.63 2.56 -4.54 1.36 3.41 -1.26 -4.38 113.62 106.14 2pni n SER 43 Ca 0.10 -2.86 -0.41 0.00 -0.26 0.00 0.00 58.87 55.44 2pni n SER 43 Cb 0.59 0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 64.96 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2pni n ASP 44 N -1.37 2.30 0.00 4.04 2.03 -1.26 -4.72 116.55 117.57 2pni n ASP 44 Ca -0.14 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2pni n ASP 44 Cb 0.53 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pni n GLY 45 N 6.10 3.00 3.02 0.27 0.00 -1.26 -5.12 105.19 111.19 2pni n GLY 45 Ca 0.39 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2pni n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pni s GLN 46 N 2.01 0.79 0.00 1.61 -2.07 -1.26 -4.99 119.66 115.75 2pni s GLN 46 Ca 0.00 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 2pni s GLN 46 Cb 0.00 -0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 2pni s GLN 46 CO 0.00 -1.21 0.35 -0.85 -1.32 0.00 0.00 175.29 172.26 2pni n GLU 47 N 4.21 0.53 -0.00 9.60 0.00 -1.26 -2.89 120.64 130.83 2pni n GLU 47 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.36 2pni n GLU 47 Cb 0.53 -1.18 -0.11 0.00 0.00 0.00 0.00 31.44 30.68 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pni n ALA 48 N -0.01 3.57 -3.72 -1.84 0.00 -1.26 -4.73 120.51 112.52 2pni n ALA 48 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 53.44 52.62 2pni n ALA 48 Cb 0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 2pni n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pni s LYS 49 N -2.86 2.38 0.66 0.00 1.02 -1.14 -4.75 119.74 115.05 2pni s LYS 49 Ca 0.01 -2.23 0.40 0.00 0.02 0.00 0.00 55.97 54.17 2pni s LYS 49 Cb 0.12 -3.71 2.20 0.00 -0.52 0.00 0.00 37.83 35.92 2pni s LYS 49 CO 0.71 -1.14 2.27 -1.35 -0.92 0.00 0.00 175.35 174.92 2pni h PRO 50 N 7.50 0.00 -0.69 -1.68 0.11 -1.85 -3.18 132.00 132.20 2pni h PRO 50 Ca -0.07 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.07 2pni h PRO 50 Cb 1.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 2pni h PRO 50 CO 0.72 0.00 0.46 0.93 -0.21 0.00 0.00 178.00 179.90 2pni h GLU 51 N 0.00 0.84 0.02 1.05 4.39 -1.92 -2.62 114.58 116.35 2pni h GLU 51 Ca 0.01 -0.05 -0.30 0.00 0.34 0.00 0.00 59.36 59.35 2pni h GLU 51 Cb 0.14 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2pni h GLU 51 CO -0.00 0.56 -1.73 1.05 -1.16 0.00 0.00 179.01 177.72 2pni h GLU 52 N 0.87 0.05 -6.99 2.33 4.11 -1.87 -3.46 114.58 109.62 2pni h GLU 52 Ca 0.27 -0.09 -0.50 0.00 0.07 0.00 0.00 59.36 59.11 2pni h GLU 52 Cb 0.02 0.03 0.05 0.00 0.50 0.00 0.00 28.75 29.35 2pni h GLU 52 CO -0.07 0.64 0.47 0.42 0.07 0.00 0.00 179.01 180.55 2pni s ILE 53 N -2.60 3.22 0.00 -1.06 1.01 -0.99 -5.04 121.20 115.75 2pni s ILE 53 Ca -0.08 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2pni s ILE 53 Cb 0.08 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2pni s ILE 53 CO 0.82 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.36 2pni n GLY 54 N 0.43 0.96 3.74 6.18 0.00 -1.26 -4.57 105.19 110.67 2pni n GLY 54 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2pni n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pni s TRP 55 N 0.48 3.59 0.18 1.61 0.52 -1.26 -1.19 118.94 122.86 2pni s TRP 55 Ca 0.00 1.07 0.04 0.00 0.02 0.00 0.00 56.10 57.23 2pni s TRP 55 Cb 0.00 -2.62 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 2pni s TRP 55 CO 0.00 0.23 0.25 -0.51 0.02 0.00 0.00 176.95 176.94 2pni s LEU 56 N 0.34 4.15 -0.07 2.99 1.43 -0.44 -4.92 118.68 122.15 2pni s LEU 56 Ca 0.30 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2pni s LEU 56 Cb -0.17 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.36 2pni s LEU 56 CO 0.14 0.03 -0.02 0.21 0.23 0.00 0.00 176.35 176.94 2pni s ASN 57 N -3.38 1.60 0.00 2.29 3.04 -1.26 -1.56 114.94 115.67 2pni s ASN 57 Ca 0.33 -0.13 0.00 0.00 0.04 0.00 0.00 52.86 53.10 2pni s ASN 57 Cb -0.10 -0.52 0.00 0.00 -1.54 0.00 0.00 41.25 39.09 2pni s ASN 57 CO 0.27 -0.16 0.00 0.61 -3.04 0.00 0.00 177.10 174.78 2pni n GLY 58 N 4.94 2.14 2.84 1.21 0.00 -0.79 -4.86 105.19 110.67 2pni n GLY 58 Ca -0.11 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 2pni n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 59 N -3.71 0.44 -1.20 1.61 2.02 -1.12 -2.36 117.35 113.02 2pni s TYR 59 Ca 0.00 -0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2pni s TYR 59 Cb 0.00 -0.48 0.22 0.00 -0.40 0.00 0.00 41.96 41.30 2pni s TYR 59 CO 0.00 -0.14 1.81 -1.71 -1.57 0.00 0.00 175.55 173.94 2pni n ASN 60 N 4.08 6.05 -0.53 2.29 5.15 0.24 -2.51 115.26 130.02 2pni n ASN 60 Ca -0.27 -3.25 0.45 0.00 -0.60 0.00 0.00 54.58 50.91 2pni n ASN 60 Cb 0.50 -1.38 0.77 0.00 -0.53 0.00 0.00 39.78 39.15 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2pni h GLU 61 N 5.39 0.00 -0.68 1.20 5.08 -1.76 -0.20 114.58 123.61 2pni h GLU 61 Ca 0.38 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.87 2pni h GLU 61 Cb 0.56 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.68 2pni h GLU 61 CO 1.49 0.00 -0.22 1.79 -1.00 0.00 0.00 179.01 181.07 2pni h THR 62 N 0.00 0.26 -0.03 1.13 1.35 -1.88 -1.25 112.91 112.48 2pni h THR 62 Ca 0.77 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.63 2pni h THR 62 Cb 3.17 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 2pni h THR 62 CO -0.01 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.61 2pni n THR 63 N -5.46 0.03 -2.70 6.82 -2.24 -0.72 -4.99 114.28 105.01 2pni n THR 63 Ca 0.08 -0.51 -0.08 0.00 -2.27 0.00 0.00 64.05 61.27 2pni n THR 63 Cb 0.36 1.32 0.02 0.00 -2.10 0.00 0.00 70.33 69.93 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pni n GLY 64 N 0.92 0.38 3.56 3.38 0.00 -0.17 -5.03 105.19 108.24 2pni n GLY 64 Ca 0.10 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2pni n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pni s GLU 65 N -5.19 3.18 -0.13 1.61 0.41 -0.96 -4.93 118.70 112.68 2pni s GLU 65 Ca 0.15 -0.51 0.02 0.00 -0.41 0.00 0.00 54.97 54.22 2pni s GLU 65 Cb -0.07 -2.76 0.01 0.00 -1.78 0.00 0.00 34.13 29.53 2pni s GLU 65 CO 0.19 0.49 -0.21 1.03 -0.49 0.00 0.00 175.26 176.27 2pni s ARG 66 N -0.33 2.87 0.00 1.61 0.52 -1.26 -0.60 118.95 121.76 2pni s ARG 66 Ca 0.05 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2pni s ARG 66 Cb -0.12 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.02 2pni s ARG 66 CO 0.02 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2pni n GLY 67 N 4.06 -0.85 3.73 -3.53 0.00 -1.00 -4.80 105.19 102.81 2pni n GLY 67 Ca -0.20 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 2pni n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 68 N -4.00 4.74 -0.26 1.61 1.11 -1.25 -1.89 116.67 116.73 2pni s ASP 68 Ca 0.00 -0.72 -0.25 0.00 0.18 0.00 0.00 52.55 51.75 2pni s ASP 68 Cb 0.00 -0.78 0.09 0.00 1.07 0.00 0.00 42.92 43.31 2pni s ASP 68 CO 0.00 -0.26 0.87 0.72 1.18 0.00 0.00 175.17 177.67 2pni s PHE 69 N -2.40 -0.63 0.81 4.23 -0.71 -0.60 -3.97 117.98 114.72 2pni s PHE 69 Ca 0.37 1.50 -0.13 0.00 -1.04 0.00 0.00 56.93 57.63 2pni s PHE 69 Cb -0.03 0.32 0.08 0.00 -1.21 0.00 0.00 43.02 42.18 2pni s PHE 69 CO 0.23 -0.32 1.18 -0.35 -1.34 0.00 0.00 175.22 174.62 2pni n PRO 70 N 2.32 0.17 -1.61 1.99 -0.05 -1.26 -1.33 135.00 135.22 2pni n PRO 70 Ca -0.13 0.13 -0.33 0.00 -0.05 0.00 0.00 63.50 63.12 2pni n PRO 70 Cb 0.56 -2.42 0.01 0.00 -0.05 0.00 0.00 33.50 31.59 2pni n PRO 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2pni n GLY 71 N 0.57 5.04 0.00 0.55 0.00 -0.33 -4.10 105.19 106.92 2pni n GLY 71 Ca 0.13 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2pni n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pni n THR 72 N -0.01 0.00 0.80 2.61 5.66 -1.26 -3.85 114.28 118.22 2pni n THR 72 Ca 0.51 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.63 2pni n THR 72 Cb 0.42 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.40 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2pni n TYR 73 N -0.14 0.22 -3.38 1.09 4.02 -1.26 -4.92 117.16 112.80 2pni n TYR 73 Ca 0.00 0.07 -0.09 0.00 -0.01 0.00 0.00 57.90 57.87 2pni n TYR 73 Cb 0.00 -0.41 0.01 0.00 -0.02 0.00 0.00 39.34 38.92 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2pni n VAL 74 N -1.77 0.00 -3.50 -0.72 0.24 -1.26 -1.98 118.33 109.35 2pni n VAL 74 Ca 0.04 -0.78 -0.10 0.00 -2.04 0.00 0.00 64.34 61.46 2pni n VAL 74 Cb 0.38 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 32.12 2pni n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pni s GLU 75 N -2.91 0.30 0.04 7.34 -6.30 0.38 -4.69 118.70 112.87 2pni s GLU 75 Ca 0.16 0.68 -0.34 0.00 -2.50 0.00 0.00 54.97 52.98 2pni s GLU 75 Cb -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 34.13 33.74 2pni s GLU 75 CO 0.10 -0.48 1.74 0.98 0.02 0.00 0.00 175.26 177.63 2pni n TYR 76 N 5.37 2.33 -0.12 5.30 9.36 -1.26 -0.61 117.16 137.53 2pni n TYR 76 Ca -0.06 0.10 -0.23 0.00 3.32 0.00 0.00 57.90 61.03 2pni n TYR 76 Cb 0.50 -2.62 -0.08 0.00 -0.63 0.00 0.00 39.34 36.51 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 2pni n ILE 77 N 4.35 1.52 -3.63 2.97 -5.35 -1.03 -4.90 119.36 113.29 2pni n ILE 77 Ca 0.20 -0.21 -0.10 0.00 -0.27 0.00 0.00 62.75 62.37 2pni n ILE 77 Cb 0.30 -2.03 -0.03 0.00 -1.74 0.00 0.00 39.64 36.14 2pni n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pni s GLY 78 N -5.27 -0.31 0.11 3.28 0.00 -1.24 -5.06 107.32 98.84 2pni s GLY 78 Ca -0.35 0.05 0.09 0.00 0.00 0.00 0.00 44.72 44.51 2pni s GLY 78 CO 0.47 -0.07 -0.23 1.09 0.00 0.00 0.00 173.10 174.37 2pni s ARG 79 N -3.83 1.21 0.00 2.90 3.03 -1.26 -1.90 118.95 119.10 2pni s ARG 79 Ca 0.06 -1.23 0.00 0.00 2.03 0.00 0.00 55.73 56.59 2pni s ARG 79 Cb -0.02 -1.54 0.00 0.00 -1.03 0.00 0.00 34.95 32.36 2pni s ARG 79 CO -0.05 0.36 0.00 0.36 -1.13 0.00 0.00 175.30 174.83 2pni n LYS 80 N 0.99 0.20 -2.23 3.89 2.85 -1.08 -4.85 118.16 117.92 2pni n LYS 80 Ca -0.19 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.65 2pni n LYS 80 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 2pni n LYS 80 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2pni n LYS 81 N -0.55 3.41 -3.29 -1.58 4.81 -1.26 -4.96 118.16 114.74 2pni n LYS 81 Ca 0.00 -3.31 -0.39 0.00 -0.87 0.00 0.00 58.31 53.74 2pni n LYS 81 Cb 0.00 -3.03 -0.06 0.00 0.02 0.00 0.00 35.03 31.96 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2pni s ILE 82 N 1.23 4.82 0.15 3.15 2.07 -1.26 -5.10 121.20 126.27 2pni s ILE 82 Ca 0.42 1.16 -0.08 0.00 -1.41 0.00 0.00 60.65 60.75 2pni s ILE 82 Cb 0.10 -3.88 -0.01 0.00 0.13 0.00 0.00 42.46 38.80 2pni s ILE 82 CO -0.02 0.53 0.24 -0.94 -1.91 0.00 0.00 174.94 172.84 2pni s SER 83 N -0.87 0.09 0.00 4.50 1.04 -1.26 -5.19 113.70 112.01 2pni s SER 83 Ca 0.29 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2pni s SER 83 Cb -0.19 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2pni s SER 83 CO 0.18 -0.86 0.46 -0.81 0.98 0.00 0.00 173.24 173.19