#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 -1.03 -1.42 1.61 0.15 -1.26 -4.91 113.70 106.84 2pni s SER 1 Ca 0.00 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.13 2pni s SER 1 Cb 0.00 2.17 0.00 0.00 -1.71 0.00 0.00 66.02 66.48 2pni s SER 1 CO 0.00 -0.22 0.00 0.80 1.20 0.00 0.00 173.24 175.02 2pni n MET 1 N 5.44 -1.88 -2.84 5.44 1.56 -1.26 -4.95 117.12 118.63 2pni n MET 1 Ca -0.11 0.80 -0.23 0.00 -0.27 0.00 0.00 57.70 57.89 2pni n MET 1 Cb 0.49 -5.37 0.02 0.00 2.15 0.00 0.00 33.22 30.51 2pni n MET 1 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2pni s SER 2 N -2.09 5.65 -0.36 6.12 0.01 -1.26 -5.09 113.70 116.68 2pni s SER 2 Ca 0.00 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.55 2pni s SER 2 Cb 0.00 -1.36 0.18 0.00 0.21 0.00 0.00 66.02 65.05 2pni s SER 2 CO 0.00 -0.86 0.54 0.00 0.41 0.00 0.00 173.24 173.33 2pni s ALA 3 N -2.65 -1.83 0.13 1.44 0.00 -1.26 -5.01 121.76 112.58 2pni s ALA 3 Ca 0.51 0.15 0.13 0.00 0.00 0.00 0.00 51.96 52.75 2pni s ALA 3 Cb -0.10 -2.47 0.25 0.00 0.00 0.00 0.00 23.12 20.80 2pni s ALA 3 CO 0.39 -2.06 1.53 0.93 0.00 0.00 0.00 175.76 176.55 2pni h GLU 4 N 7.38 0.00 0.00 0.00 4.39 -1.98 -3.45 114.58 120.92 2pni h GLU 4 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2pni h GLU 4 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2pni h GLU 4 CO 0.15 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 179.04 2pni n GLY 5 N 0.70 -1.67 3.90 -3.84 0.00 -1.26 -4.47 105.19 98.55 2pni n GLY 5 Ca -0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.92 3.47 0.24 1.61 2.02 -1.26 -4.15 117.35 118.37 2pni s TYR 6 Ca 0.00 0.57 0.08 0.00 -0.37 0.00 0.00 57.07 57.35 2pni s TYR 6 Cb 0.00 -2.02 -0.05 0.00 -0.40 0.00 0.00 41.96 39.49 2pni s TYR 6 CO 0.00 0.40 -0.11 -0.65 -1.57 0.00 0.00 175.55 173.62 2pni s GLN 7 N -2.75 1.45 0.07 -0.62 -0.21 -0.87 -1.48 119.66 115.25 2pni s GLN 7 Ca 0.42 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 54.11 2pni s GLN 7 Cb -0.12 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.66 2pni s GLN 7 CO 0.25 0.14 -0.04 0.71 -2.12 0.00 0.00 175.29 174.22 2pni s TYR 8 N -2.95 0.65 -0.21 0.91 1.51 -0.96 -2.48 117.35 113.81 2pni s TYR 8 Ca 0.26 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 2pni s TYR 8 Cb 0.01 -0.43 0.03 0.00 -0.11 0.00 0.00 41.96 41.46 2pni s TYR 8 CO 0.10 -0.29 -0.16 1.03 -1.11 0.00 0.00 175.55 175.11 2pni s ARG 9 N -3.79 2.68 -0.30 -0.62 0.52 -0.13 -2.26 118.95 115.06 2pni s ARG 9 Ca 0.08 -1.01 -0.34 0.00 -0.52 0.00 0.00 55.73 53.93 2pni s ARG 9 Cb 0.06 -2.67 -0.11 0.00 0.52 0.00 0.00 34.95 32.75 2pni s ARG 9 CO -0.08 -0.35 2.14 0.00 0.02 0.00 0.00 175.30 177.04 2pni n ALA 10 N 4.56 1.10 0.03 2.13 0.00 -0.81 -0.44 120.51 127.08 2pni n ALA 10 Ca -0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2pni n ALA 10 Cb 0.47 -2.58 -0.09 0.00 0.00 0.00 0.00 19.45 17.25 2pni n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pni h LEU 11 N 12.20 -0.09 -8.56 0.00 6.46 -1.31 -3.39 115.31 120.62 2pni h LEU 11 Ca -0.32 -0.38 -0.46 0.00 -0.12 0.00 0.00 57.88 56.59 2pni h LEU 11 Cb 1.30 0.02 -0.21 0.00 -0.73 0.00 0.00 40.66 41.05 2pni h LEU 11 CO 1.00 0.35 -0.79 -0.47 -0.62 0.00 0.00 178.44 177.91 2pni s TYR 12 N -4.37 1.47 0.17 1.25 5.04 -1.20 -4.97 117.35 114.73 2pni s TYR 12 Ca -0.15 -0.47 -0.33 0.00 -2.44 0.00 0.00 57.07 53.68 2pni s TYR 12 Cb 0.02 -0.80 -0.13 0.00 0.35 0.00 0.00 41.96 41.40 2pni s TYR 12 CO 0.63 0.14 1.66 -0.40 -1.34 0.00 0.00 175.55 176.24 2pni n ASP 13 N 0.97 3.51 -3.99 4.32 5.75 -1.26 -4.78 116.55 121.08 2pni n ASP 13 Ca -0.19 1.06 -0.23 0.00 -0.01 0.00 0.00 54.79 55.42 2pni n ASP 13 Cb 0.55 -1.49 -0.17 0.00 -1.03 0.00 0.00 41.12 38.99 2pni n ASP 13 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2pni s TYR 14 N 1.27 1.26 0.36 2.11 5.04 -0.53 -4.98 117.35 121.89 2pni s TYR 14 Ca 0.78 -0.45 -0.07 0.00 -2.44 0.00 0.00 57.07 54.90 2pni s TYR 14 Cb -0.60 -0.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.70 2pni s TYR 14 CO 0.36 -0.26 0.67 0.15 -1.34 0.00 0.00 175.55 175.14 2pni s LYS 15 N 0.75 3.67 0.19 4.97 1.02 -1.26 -1.27 119.74 127.82 2pni s LYS 15 Ca -0.13 0.20 -0.14 0.00 0.02 0.00 0.00 55.97 55.92 2pni s LYS 15 Cb -0.15 -2.51 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 2pni s LYS 15 CO 0.03 0.05 0.59 -1.59 -0.92 0.00 0.00 175.35 173.51 2pni s LYS 16 N -3.87 3.98 0.00 1.68 0.00 -1.26 -4.90 119.74 115.37 2pni s LYS 16 Ca 0.47 0.51 0.00 0.00 0.00 0.00 0.00 55.97 56.95 2pni s LYS 16 Cb -0.10 -2.81 0.00 0.00 0.00 0.00 0.00 37.83 34.92 2pni s LYS 16 CO 0.33 0.40 0.06 -1.91 0.00 0.00 0.00 175.35 174.22 2pni n GLU 17 N 0.46 1.93 -4.21 1.78 2.13 -1.26 -5.04 120.64 116.43 2pni n GLU 17 Ca -0.03 -0.06 -0.20 0.00 0.66 0.00 0.00 57.16 57.54 2pni n GLU 17 Cb 0.52 -0.35 -0.12 0.00 0.27 0.00 0.00 31.44 31.76 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pni s ARG 18 N -0.29 0.92 0.42 5.31 3.52 -1.26 -5.02 118.95 122.55 2pni s ARG 18 Ca 0.00 -1.04 0.30 0.00 -0.13 0.00 0.00 55.73 54.85 2pni s ARG 18 Cb 0.00 -0.99 1.41 0.00 -1.56 0.00 0.00 34.95 33.81 2pni s ARG 18 CO 0.00 0.22 1.89 0.93 -0.81 0.00 0.00 175.30 177.53 2pni h GLU 19 N 4.14 0.00 0.00 5.12 5.08 -2.03 -1.79 114.58 125.11 2pni h GLU 19 Ca -0.42 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.83 2pni h GLU 19 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2pni h GLU 19 CO 0.41 0.00 -0.51 0.93 -1.00 0.00 0.00 179.01 178.84 2pni h GLU 20 N 0.00 0.00 -6.17 2.33 5.08 -1.97 -3.46 114.58 110.39 2pni h GLU 20 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2pni h GLU 20 Cb 0.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2pni h GLU 20 CO 0.00 0.51 -0.55 -0.51 -1.00 0.00 0.00 179.01 177.46 2pni s ASP 21 N -6.47 5.64 0.50 1.42 1.11 -0.67 -1.77 116.67 116.43 2pni s ASP 21 Ca 0.03 -0.09 0.02 0.00 0.18 0.00 0.00 52.55 52.70 2pni s ASP 21 Cb 0.08 -1.51 -0.02 0.00 1.07 0.00 0.00 42.92 42.55 2pni s ASP 21 CO 0.74 0.07 0.04 0.27 1.18 0.00 0.00 175.17 177.46 2pni s ILE 22 N -1.75 1.31 0.16 0.77 -4.36 -1.26 -4.70 121.20 111.37 2pni s ILE 22 Ca 0.31 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 2pni s ILE 22 Cb -0.10 -2.27 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 2pni s ILE 22 CO 0.24 0.00 1.06 -1.81 0.24 0.00 0.00 174.94 174.67 2pni s ASP 23 N -3.89 7.34 -0.04 4.36 1.01 -1.26 -4.24 116.67 119.95 2pni s ASP 23 Ca 0.12 2.00 0.04 0.00 0.71 0.00 0.00 52.55 55.41 2pni s ASP 23 Cb 0.02 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2pni s ASP 23 CO 0.06 -0.17 -0.14 -0.76 0.21 0.00 0.00 175.17 174.37 2pni s LEU 24 N -0.26 1.85 0.00 1.23 1.43 -0.39 -5.01 118.68 117.53 2pni s LEU 24 Ca 0.49 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 2pni s LEU 24 Cb -0.28 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 2pni s LEU 24 CO 0.33 0.11 0.10 1.41 0.23 0.00 0.00 176.35 178.54 2pni n HIS 25 N 3.25 -0.16 -2.58 0.29 -0.00 -1.26 -1.45 115.22 113.30 2pni n HIS 25 Ca -0.19 -1.26 -0.32 0.00 -0.00 0.00 0.00 57.72 55.96 2pni n HIS 25 Cb 0.53 0.07 -0.04 0.00 -0.00 0.00 0.00 29.99 30.55 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2pni s LEU 26 N 0.00 3.72 0.00 2.41 1.02 -1.26 -3.46 118.68 121.11 2pni s LEU 26 Ca 0.14 1.44 0.00 0.00 0.02 0.00 0.00 54.13 55.73 2pni s LEU 26 Cb 0.01 -4.35 0.00 0.00 0.02 0.00 0.00 46.19 41.86 2pni s LEU 26 CO 0.10 -0.50 0.00 0.61 0.02 0.00 0.00 176.35 176.58 2pni n GLY 27 N -1.39 0.78 3.64 -3.19 0.00 -1.26 -4.93 105.19 98.84 2pni n GLY 27 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.56 6.38 -0.11 1.61 1.11 -1.22 -4.91 116.67 116.96 2pni s ASP 28 Ca 0.00 2.05 -0.04 0.00 0.18 0.00 0.00 52.55 54.74 2pni s ASP 28 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -1.19 0.06 -0.63 1.18 0.00 0.00 175.17 174.58 2pni s ILE 29 N 5.04 4.78 0.24 0.77 1.01 -1.26 -1.92 121.20 129.86 2pni s ILE 29 Ca 0.79 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.45 2pni s ILE 29 Cb -0.32 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2pni s ILE 29 CO 0.32 0.60 0.05 -0.76 0.00 0.00 0.00 174.94 175.15 2pni s LEU 30 N -0.80 3.38 0.08 2.97 1.02 -0.96 -4.53 118.68 119.85 2pni s LEU 30 Ca 0.13 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.83 2pni s LEU 30 Cb -0.12 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 2pni s LEU 30 CO 0.03 0.01 -0.14 -0.89 0.02 0.00 0.00 176.35 175.38 2pni s THR 31 N -2.16 1.14 0.00 5.49 2.01 -0.75 -2.28 115.64 119.10 2pni s THR 31 Ca 0.31 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.91 2pni s THR 31 Cb -0.07 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.26 2pni s THR 31 CO 0.21 -0.28 0.00 0.52 -0.69 0.00 0.00 174.62 174.38 2pni n VAL 32 N 1.09 0.00 -4.58 3.82 0.31 -0.55 -1.25 118.33 117.17 2pni n VAL 32 Ca -0.20 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.86 2pni n VAL 32 Cb 0.55 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.99 3.26 0.00 4.52 -0.87 -1.26 -4.50 114.94 117.07 2pni s ASN 33 Ca 0.00 -1.52 0.27 0.00 -1.57 0.00 0.00 52.86 50.04 2pni s ASN 33 Cb 0.00 0.15 1.06 0.00 -0.02 0.00 0.00 41.25 42.44 2pni s ASN 33 CO 0.00 -0.72 1.75 2.29 -2.57 0.00 0.00 177.10 177.85 2pni n LYS 34 N -0.95 1.62 0.22 -0.60 2.85 -1.26 -4.03 118.16 116.02 2pni n LYS 34 Ca -0.08 -0.91 0.11 0.00 -1.05 0.00 0.00 58.31 56.38 2pni n LYS 34 Cb 0.66 -1.47 0.60 0.00 -0.65 0.00 0.00 35.03 34.18 2pni n LYS 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2pni h GLY 35 N 4.90 0.00 -2.56 2.58 0.00 -1.95 -3.45 103.07 102.58 2pni h GLY 35 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2pni h GLY 35 CO 0.00 0.00 -0.21 -1.14 0.00 0.00 0.00 176.54 175.19 2pni n SER 36 N -2.40 -3.04 0.00 0.19 3.41 -1.26 -2.90 113.62 107.62 2pni n SER 36 Ca -0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2pni n SER 36 Cb 0.25 -1.84 0.00 0.00 -0.26 0.00 0.00 64.21 62.36 2pni n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pni n LEU 37 N -1.85 0.00 0.30 1.04 4.77 -1.26 -4.64 117.00 115.35 2pni n LEU 37 Ca -0.02 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.14 2pni n LEU 37 Cb 0.52 -0.01 0.95 0.00 -2.33 0.00 0.00 43.42 42.55 2pni n LEU 37 CO 0.19 0.00 1.09 0.58 -1.33 0.00 0.00 177.39 177.92 2pni h VAL 38 N 0.00 0.27 -0.20 4.08 2.07 -1.60 0.00 116.25 120.87 2pni h VAL 38 Ca 0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.35 2pni h VAL 38 Cb 0.00 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2pni h VAL 38 CO 0.00 0.03 0.44 0.00 0.02 0.00 0.00 177.57 178.06 2pni h ALA 39 N 1.97 1.74 -0.00 1.67 0.00 -1.86 -1.66 119.26 121.11 2pni h ALA 39 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pni h ALA 39 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2pni h ALA 39 CO 0.00 -0.54 -0.44 1.28 0.00 0.00 0.00 179.25 179.55 2pni n LEU 40 N -3.23 0.60 0.00 0.00 4.77 -0.07 -4.97 117.00 114.10 2pni n LEU 40 Ca 0.03 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2pni n LEU 40 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2pni n LEU 40 CO 0.19 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2pni n GLY 41 N 1.19 0.84 3.93 -0.72 0.00 -0.63 -5.10 105.19 104.71 2pni n GLY 41 Ca 0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.02 -0.42 1.61 0.40 -0.82 -4.95 117.98 114.82 2pni s PHE 42 Ca 0.00 0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.84 2pni s PHE 42 Cb 0.00 -2.95 0.28 0.00 0.51 0.00 0.00 43.02 40.86 2pni s PHE 42 CO 0.00 -1.10 0.73 0.43 0.70 0.00 0.00 175.22 175.98 2pni n SER 43 N -2.69 -0.78 0.00 1.36 7.64 -1.26 -3.65 113.62 114.24 2pni n SER 43 Ca 0.07 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.91 2pni n SER 43 Cb 0.59 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2pni n ASP 44 N 1.10 0.00 -1.09 6.43 -0.08 -1.26 -5.06 116.55 116.60 2pni n ASP 44 Ca 0.17 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.46 2pni n ASP 44 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pni n GLY 45 N 0.00 0.80 2.09 0.27 0.00 -1.26 -4.83 105.19 102.26 2pni n GLY 45 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 2pni n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pni n GLN 46 N 0.27 1.98 0.23 1.61 6.02 -1.26 -4.50 117.38 121.72 2pni n GLN 46 Ca 0.00 -1.47 0.08 0.00 -0.01 0.00 0.00 57.00 55.61 2pni n GLN 46 Cb 0.93 -1.85 0.53 0.00 1.02 0.00 0.00 30.24 30.87 2pni n GLN 46 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2pni h GLU 47 N 2.45 0.00 -0.65 -1.09 5.08 -1.97 -2.84 114.58 115.55 2pni h GLU 47 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2pni h GLU 47 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2pni h GLU 47 CO 0.54 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 2pni n ALA 48 N -2.35 3.43 -3.41 3.43 0.00 -1.26 -4.55 120.51 115.79 2pni n ALA 48 Ca -0.02 -1.46 -0.26 0.00 0.00 0.00 0.00 53.44 51.70 2pni n ALA 48 Cb 0.33 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 2pni n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pni n LYS 49 N 0.62 1.40 0.00 0.00 5.02 -1.07 -4.92 118.16 119.22 2pni n LYS 49 Ca 0.22 -3.89 0.01 0.00 -2.02 0.00 0.00 58.31 52.63 2pni n LYS 49 Cb 0.93 -1.80 0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2pni n LYS 49 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pni n PRO 50 N 1.53 0.02 -0.05 1.97 -0.02 -1.26 -2.83 135.00 134.36 2pni n PRO 50 Ca 0.25 0.24 -0.15 0.00 -2.02 0.00 0.00 63.50 61.82 2pni n PRO 50 Cb 0.45 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2pni h GLU 51 N 0.00 0.82 0.04 -0.52 4.39 -1.92 -3.30 114.58 114.09 2pni h GLU 51 Ca 0.00 -0.55 -0.31 0.00 0.34 0.00 0.00 59.36 58.83 2pni h GLU 51 Cb 0.01 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2pni h GLU 51 CO 0.00 1.18 -1.77 1.05 -1.16 0.00 0.00 179.01 178.31 2pni h GLU 52 N 0.61 0.09 -6.30 2.33 4.11 -1.92 -3.46 114.58 110.04 2pni h GLU 52 Ca -0.00 -0.15 -0.55 0.00 0.07 0.00 0.00 59.36 58.73 2pni h GLU 52 Cb 1.21 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2pni h GLU 52 CO 0.13 0.73 0.64 0.42 0.07 0.00 0.00 179.01 181.00 2pni s ILE 53 N -2.59 4.48 0.00 -1.06 1.01 -1.22 -4.94 121.20 116.87 2pni s ILE 53 Ca -0.10 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2pni s ILE 53 Cb 0.08 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2pni s ILE 53 CO 0.81 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.37 2pni n GLY 54 N 3.24 0.56 3.62 6.18 0.00 -1.26 -4.03 105.19 113.50 2pni n GLY 54 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.14 3.28 -0.22 1.61 0.52 -1.26 -0.59 118.94 122.14 2pni s TRP 55 Ca 0.00 0.63 -0.07 0.00 0.02 0.00 0.00 56.10 56.68 2pni s TRP 55 Cb 0.00 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 2pni s TRP 55 CO 0.00 -0.26 0.05 -0.51 0.02 0.00 0.00 176.95 176.26 2pni s LEU 56 N 2.22 3.51 -0.23 2.99 1.02 -0.58 -4.97 118.68 122.64 2pni s LEU 56 Ca 0.21 -0.13 -0.17 0.00 0.02 0.00 0.00 54.13 54.06 2pni s LEU 56 Cb -0.16 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 2pni s LEU 56 CO 0.09 0.04 0.47 0.20 0.02 0.00 0.00 176.35 177.18 2pni s ASN 57 N 1.14 6.45 0.27 2.29 0.02 -1.26 -1.31 114.94 122.54 2pni s ASN 57 Ca 0.04 0.54 -0.14 0.00 -1.02 0.00 0.00 52.86 52.28 2pni s ASN 57 Cb -0.14 -2.27 0.01 0.00 0.02 0.00 0.00 41.25 38.87 2pni s ASN 57 CO 0.03 -0.20 0.55 -0.83 0.02 0.00 0.00 177.10 176.67 2pni s GLY 58 N 1.33 0.48 0.21 0.66 0.00 -0.89 -4.88 107.32 104.23 2pni s GLY 58 Ca 0.21 -0.81 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 2pni s GLY 58 CO 0.09 -0.53 0.51 -0.19 0.00 0.00 0.00 173.10 172.98 2pni s TYR 59 N -3.80 3.44 -0.69 1.90 1.51 -0.38 -2.44 117.35 116.89 2pni s TYR 59 Ca 0.20 0.78 0.05 0.00 -1.01 0.00 0.00 57.07 57.10 2pni s TYR 59 Cb -0.02 -2.19 0.19 0.00 -0.11 0.00 0.00 41.96 39.83 2pni s TYR 59 CO 0.10 0.30 0.57 0.09 -1.11 0.00 0.00 175.55 175.50 2pni n ASN 60 N -0.13 3.23 -0.25 2.29 4.13 -0.19 -1.81 115.26 122.52 2pni n ASN 60 Ca -0.00 -3.28 0.16 0.00 1.68 0.00 0.00 54.58 53.13 2pni n ASN 60 Cb 0.52 -0.73 0.44 0.00 -1.54 0.00 0.00 39.78 38.47 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2pni h GLU 61 N 5.04 0.53 -0.31 3.52 5.08 -1.80 0.08 114.58 126.72 2pni h GLU 61 Ca 0.16 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2pni h GLU 61 Cb 0.73 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 2pni h GLU 61 CO 0.75 0.35 -0.10 1.79 -1.00 0.00 0.00 179.01 180.80 2pni h THR 62 N 0.54 0.64 -0.18 1.13 1.35 -1.92 -1.93 112.91 112.54 2pni h THR 62 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 2pni h THR 62 Cb 0.95 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2pni h THR 62 CO -0.20 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.42 2pni n THR 63 N -5.28 0.23 -3.20 6.82 -2.24 -0.26 -4.90 114.28 105.45 2pni n THR 63 Ca 0.00 -0.35 -0.23 0.00 -2.27 0.00 0.00 64.05 61.21 2pni n THR 63 Cb 0.20 0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 1.12 -0.50 1.94 3.38 0.00 -0.15 -4.94 105.19 106.05 2pni n GLY 64 Ca 0.16 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 2pni n GLY 64 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pni n GLU 65 N -3.82 0.31 -3.74 1.61 4.07 -0.84 -5.00 120.64 113.24 2pni n GLU 65 Ca -0.06 -2.02 -0.12 0.00 -0.06 0.00 0.00 57.16 54.91 2pni n GLU 65 Cb 0.57 1.57 -0.07 0.00 -0.06 0.00 0.00 31.44 33.45 2pni n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2pni s ARG 66 N -2.83 0.80 0.00 5.31 3.03 -1.26 -1.02 118.95 122.98 2pni s ARG 66 Ca 0.22 -0.44 0.00 0.00 2.03 0.00 0.00 55.73 57.54 2pni s ARG 66 Cb 0.01 0.35 0.00 0.00 -1.03 0.00 0.00 34.95 34.28 2pni s ARG 66 CO 0.16 -0.26 0.00 0.41 -1.13 0.00 0.00 175.30 174.48 2pni n GLY 67 N 0.66 -0.75 3.96 3.88 0.00 -1.02 -4.80 105.19 107.12 2pni n GLY 67 Ca -0.19 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 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 6.21 -0.23 1.61 1.01 -0.73 -2.10 116.67 118.45 2pni s ASP 68 Ca 0.00 0.15 -0.26 0.00 0.71 0.00 0.00 52.55 53.15 2pni s ASP 68 Cb 0.00 -1.78 0.08 0.00 1.01 0.00 0.00 42.92 42.24 2pni s ASP 68 CO 0.00 -0.25 0.79 0.72 0.21 0.00 0.00 175.17 176.64 2pni s PHE 69 N -2.16 -0.68 0.75 4.23 -0.71 -0.43 -4.07 117.98 114.91 2pni s PHE 69 Ca 0.39 1.57 -0.14 0.00 -1.04 0.00 0.00 56.93 57.71 2pni s PHE 69 Cb -0.09 0.32 0.05 0.00 -1.21 0.00 0.00 43.02 42.09 2pni s PHE 69 CO 0.32 -0.39 1.18 -1.25 -1.34 0.00 0.00 175.22 173.74 2pni s PRO 70 N 0.01 2.10 0.06 1.99 0.04 -1.26 -1.52 135.00 136.42 2pni s PRO 70 Ca -0.01 1.64 0.25 0.00 0.04 0.00 0.00 61.00 62.92 2pni s PRO 70 Cb -0.04 -1.84 0.48 0.00 0.04 0.00 0.00 34.50 33.14 2pni s PRO 70 CO 0.01 -1.84 1.41 0.41 0.04 0.00 0.00 177.00 177.03 2pni n GLY 71 N 0.14 -1.35 0.00 0.56 0.00 0.24 -3.73 105.19 101.06 2pni n GLY 71 Ca 0.12 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.96 2pni n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pni n THR 72 N -1.80 0.00 -0.04 2.61 -2.24 -1.26 -3.20 114.28 108.34 2pni n THR 72 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2pni n THR 72 Cb 0.39 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pni n TYR 73 N -0.82 0.00 -4.45 4.78 4.02 -1.24 -4.99 117.16 114.45 2pni n TYR 73 Ca 0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.82 2pni n TYR 73 Cb 0.07 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.33 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 -0.20 0.00 -3.48 -0.72 0.24 -1.20 -0.97 118.33 112.00 2pni n VAL 74 Ca 0.00 -1.91 -0.11 0.00 -2.04 0.00 0.00 64.34 60.28 2pni n VAL 74 Cb 0.01 0.61 -0.10 0.00 -1.47 0.00 0.00 33.84 32.90 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 -3.30 0.30 0.34 7.34 2.12 0.42 -4.62 118.70 121.29 2pni s GLU 75 Ca 0.13 0.65 -0.25 0.00 0.36 0.00 0.00 54.97 55.85 2pni s GLU 75 Cb 0.01 -0.31 -0.14 0.00 0.26 0.00 0.00 34.13 33.95 2pni s GLU 75 CO 0.09 -0.50 0.73 0.98 -0.54 0.00 0.00 175.26 176.02 2pni n TYR 76 N 5.36 0.23 0.02 5.30 9.36 -1.26 -0.95 117.16 135.22 2pni n TYR 76 Ca -0.05 0.70 -0.01 0.00 3.32 0.00 0.00 57.90 61.85 2pni n TYR 76 Cb 0.50 -2.09 -0.00 0.00 -0.63 0.00 0.00 39.34 37.11 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 -0.32 0.73 -3.65 2.97 -5.35 -1.04 -4.80 119.36 107.91 2pni n ILE 77 Ca 0.12 0.20 -0.15 0.00 -0.27 0.00 0.00 62.75 62.64 2pni n ILE 77 Cb 0.34 -1.59 -0.08 0.00 -1.74 0.00 0.00 39.64 36.58 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 -4.51 -0.39 -0.08 3.28 0.00 -1.25 -5.06 107.32 99.31 2pni s GLY 78 Ca -0.02 1.06 0.02 0.00 0.00 0.00 0.00 44.72 45.78 2pni s GLY 78 CO 0.03 0.79 -0.14 1.09 0.00 0.00 0.00 173.10 174.87 2pni s ARG 79 N -0.82 1.95 0.79 2.90 1.04 -1.26 -2.05 118.95 121.51 2pni s ARG 79 Ca -0.09 -0.49 -0.11 0.00 -1.04 0.00 0.00 55.73 54.01 2pni s ARG 79 Cb -0.03 -1.61 0.07 0.00 -2.04 0.00 0.00 34.95 31.34 2pni s ARG 79 CO 0.06 0.02 1.10 0.15 -0.04 0.00 0.00 175.30 176.59 2pni s LYS 80 N 0.72 2.06 -1.44 3.89 -0.14 -1.26 -4.90 119.74 118.67 2pni s LYS 80 Ca -0.13 1.25 -0.14 0.00 -1.36 0.00 0.00 55.97 55.59 2pni s LYS 80 Cb -0.16 -1.87 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 2pni s LYS 80 CO 0.03 -1.81 2.30 1.17 -0.76 0.00 0.00 175.35 176.28 2pni n LYS 81 N -3.59 2.87 0.00 1.68 4.81 -1.26 -3.91 118.16 118.76 2pni n LYS 81 Ca 0.10 -2.51 0.00 0.00 -0.87 0.00 0.00 58.31 55.03 2pni n LYS 81 Cb 0.53 -3.21 0.00 0.00 0.02 0.00 0.00 35.03 32.37 2pni n LYS 81 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2pni n ILE 82 N 4.97 0.00 -0.11 3.15 5.41 -1.26 -4.85 119.36 126.67 2pni n ILE 82 Ca 0.55 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 64.08 2pni n ILE 82 Cb 0.37 1.81 -0.11 0.00 -0.71 0.00 0.00 39.64 41.00 2pni n ILE 82 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2pni n SER 83 N 0.00 1.86 0.00 4.38 2.88 -1.25 -4.98 113.62 116.51 2pni n SER 83 Ca 0.00 0.42 0.06 0.00 -1.33 0.00 0.00 58.87 58.02 2pni n SER 83 Cb 0.28 -0.95 0.36 0.00 -0.75 0.00 0.00 64.21 63.15 2pni n SER 83 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00