#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpv s ALA 2 N 0.00 2.67 1.30 3.04 0.00 -1.26 -4.84 121.76 122.66 1xpv s ALA 2 Ca 0.00 -1.46 -0.18 0.00 0.00 0.00 0.00 51.96 50.32 1xpv s ALA 2 Cb 0.00 -2.50 0.27 0.00 0.00 0.00 0.00 23.12 20.90 1xpv s ALA 2 CO 0.00 -2.24 0.76 1.28 0.00 0.00 0.00 175.76 175.56 1xpv n LEU 3 N -3.53 0.00 -3.35 0.00 4.77 -1.26 -4.78 117.00 108.84 1xpv n LEU 3 Ca 0.16 -0.79 -0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1xpv n LEU 3 Cb 0.60 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1xpv n LEU 3 CO 0.43 -2.27 0.07 -0.89 -1.33 0.00 0.00 177.39 173.40 1xpv s THR 4 N -2.17 -0.80 -0.26 -5.08 2.01 -0.90 -2.63 115.64 105.81 1xpv s THR 4 Ca 0.54 -0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.51 1xpv s THR 4 Cb -0.08 -0.88 0.03 0.00 0.01 0.00 0.00 72.50 71.58 1xpv s THR 4 CO 0.43 -0.04 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.07 1xpv s LEU 5 N 2.71 3.40 0.16 4.42 2.96 -1.19 -1.67 118.68 129.46 1xpv s LEU 5 Ca 0.12 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 1xpv s LEU 5 Cb -0.14 -1.70 -0.08 0.00 0.50 0.00 0.00 46.19 44.77 1xpv s LEU 5 CO -0.18 -0.16 1.22 -0.31 -1.32 0.00 0.00 176.35 175.61 1xpv s TYR 6 N 1.34 3.40 0.22 5.38 2.02 -1.15 -3.57 117.35 124.99 1xpv s TYR 6 Ca -0.00 1.35 -0.05 0.00 -0.37 0.00 0.00 57.07 57.99 1xpv s TYR 6 Cb -0.17 -3.46 -0.03 0.00 -0.40 0.00 0.00 41.96 37.90 1xpv s TYR 6 CO -0.03 -1.36 0.25 1.14 -1.57 0.00 0.00 175.55 173.99 1xpv s GLN 7 N 0.13 1.33 -0.30 -0.62 -2.07 -0.58 -3.58 119.66 113.96 1xpv s GLN 7 Ca 0.55 -1.50 0.08 0.00 -1.82 0.00 0.00 55.36 52.66 1xpv s GLN 7 Cb -0.33 0.34 0.46 0.00 -1.09 0.00 0.00 33.01 32.39 1xpv s GLN 7 CO 0.35 -0.48 1.31 0.54 -1.32 0.00 0.00 175.29 175.69 1xpv n ARG 8 N -0.31 2.69 -2.68 9.60 1.74 -1.26 -2.63 116.66 123.80 1xpv n ARG 8 Ca 0.01 -3.70 -0.02 0.00 -0.77 0.00 0.00 57.85 53.36 1xpv n ARG 8 Cb 0.65 -2.02 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 1xpv n ARG 8 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xpv n ASP 9 N -0.91 -4.84 -2.10 0.55 -0.08 -1.26 -4.79 116.55 103.11 1xpv n ASP 9 Ca 0.37 1.39 0.00 0.00 -1.51 0.00 0.00 54.79 55.04 1xpv n ASP 9 Cb 0.88 -5.25 0.00 0.00 2.34 0.00 0.00 41.12 39.09 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1xpv n ASP 10 N 1.15 -8.35 -3.53 1.67 -0.08 -1.26 -5.09 116.55 101.06 1xpv n ASP 10 Ca -0.18 1.53 -0.14 0.00 -1.51 0.00 0.00 54.79 54.49 1xpv n ASP 10 Cb 0.28 -4.54 -0.05 0.00 2.34 0.00 0.00 41.12 39.15 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv h HIS 12 N 2.73 -0.19 -0.97 0.00 2.76 -1.98 1.24 115.15 118.73 1xpv h HIS 12 Ca -0.24 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.06 1xpv h HIS 12 Cb 1.16 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 30.10 1xpv h HIS 12 CO 0.33 0.24 0.61 1.25 -1.30 0.00 0.00 177.93 179.07 1xpv h LEU 13 N -0.71 0.83 0.01 0.26 5.85 -1.99 0.40 115.31 119.96 1xpv h LEU 13 Ca -0.02 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.58 1xpv h LEU 13 Cb 0.51 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.44 1xpv h LEU 13 CO 0.03 0.42 -0.69 0.00 -0.34 0.00 0.00 178.44 177.86 1xpv h ASP 15 N -0.04 -0.80 -0.42 0.00 5.19 0.33 0.55 116.42 121.23 1xpv h ASP 15 Ca -0.09 0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 1xpv h ASP 15 Cb 1.40 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 41.27 1xpv h ASP 15 CO 0.13 -0.28 0.29 1.56 -3.12 0.00 0.00 179.24 177.83 1xpv h GLN 16 N -0.23 0.20 -0.16 3.56 4.20 -0.36 0.13 115.11 122.44 1xpv h GLN 16 Ca 0.15 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1xpv h GLN 16 Cb 0.47 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xpv h GLN 16 CO -0.42 0.13 -0.32 0.00 -0.67 0.00 0.00 178.83 177.56 1xpv h ALA 17 N 1.78 0.26 -0.71 3.87 0.00 -0.17 -2.61 119.26 121.68 1xpv h ALA 17 Ca 0.19 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xpv h ALA 17 Cb 0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xpv h ALA 17 CO -0.03 0.29 0.35 0.28 0.00 0.00 0.00 179.25 180.14 1xpv h VAL 18 N 0.13 1.22 -0.00 0.00 2.07 0.14 -1.00 116.25 118.82 1xpv h VAL 18 Ca 0.01 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xpv h VAL 18 Cb 0.91 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1xpv h VAL 18 CO 0.07 0.26 -0.07 -0.08 0.02 0.00 0.00 177.57 177.77 1xpv h GLU 19 N 0.99 -0.12 -0.83 1.57 4.81 -0.71 0.67 114.58 120.96 1xpv h GLU 19 Ca 0.25 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1xpv h GLU 19 Cb 0.08 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1xpv h GLU 19 CO -0.03 -0.08 0.53 0.00 -0.73 0.00 0.00 179.01 178.70 1xpv h ALA 20 N 0.86 1.37 0.45 2.92 0.00 -1.07 1.22 119.26 125.02 1xpv h ALA 20 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xpv h ALA 20 Cb 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xpv h ALA 20 CO -0.07 0.57 -0.22 -0.07 0.00 0.00 0.00 179.25 179.45 1xpv h LEU 21 N 1.14 -0.51 -0.31 0.00 3.38 -0.37 0.44 115.31 119.07 1xpv h LEU 21 Ca 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xpv h LEU 21 Cb -0.10 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1xpv h LEU 21 CO -0.06 -0.20 0.20 0.00 0.09 0.00 0.00 178.44 178.47 1xpv h ALA 22 N -0.41 0.39 -0.64 1.53 0.00 0.65 0.09 119.26 120.88 1xpv h ALA 22 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xpv h ALA 22 Cb 0.56 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1xpv h ALA 22 CO 0.10 -0.14 0.36 1.96 0.00 0.00 0.00 179.25 181.54 1xpv h GLN 23 N 0.42 0.66 0.00 0.00 4.20 0.16 0.38 115.11 120.93 1xpv h GLN 23 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xpv h GLN 23 Cb -0.04 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1xpv h GLN 23 CO -0.02 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1xpv n ALA 24 N -2.34 2.02 -3.78 3.87 0.00 0.15 -4.86 120.51 115.59 1xpv n ALA 24 Ca 0.07 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 1xpv n ALA 24 Cb 0.14 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1xpv n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xpv n ARG 25 N -1.30 -6.03 0.00 0.00 1.74 0.13 -4.80 116.66 106.41 1xpv n ARG 25 Ca 0.09 0.66 -0.13 0.00 -0.77 0.00 0.00 57.85 57.71 1xpv n ARG 25 Cb 0.16 -5.59 -0.06 0.00 -1.02 0.00 0.00 32.46 25.95 1xpv n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xpv h ALA 26 N 0.98 -0.61 0.00 7.54 0.00 -1.45 -3.49 119.26 122.23 1xpv h ALA 26 Ca -0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1xpv h ALA 26 Cb 1.37 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1xpv h ALA 26 CO 0.64 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1xpv n GLY 27 N -1.44 0.40 3.82 0.00 0.00 -1.26 -5.08 105.19 101.63 1xpv n GLY 27 Ca -0.04 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 1xpv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpv s ALA 28 N -1.22 3.64 0.28 4.61 0.00 -1.26 -4.98 121.76 122.84 1xpv s ALA 28 Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 1xpv s ALA 28 Cb 0.00 -1.45 0.05 0.00 0.00 0.00 0.00 23.12 21.73 1xpv s ALA 28 CO 0.00 0.52 0.71 1.97 0.00 0.00 0.00 175.76 178.96 1xpv n PHE 29 N -0.34 -1.91 -4.24 0.00 1.16 -1.26 -4.38 117.46 106.49 1xpv n PHE 29 Ca -0.08 -1.42 -0.35 0.00 -1.87 0.00 0.00 57.45 53.72 1xpv n PHE 29 Cb 0.54 0.71 -0.09 0.00 -1.61 0.00 0.00 39.48 39.04 1xpv n PHE 29 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1xpv s PHE 30 N -3.17 3.28 -0.16 2.97 0.08 -1.08 -4.97 117.98 114.93 1xpv s PHE 30 Ca 0.15 0.28 -0.08 0.00 0.12 0.00 0.00 56.93 57.39 1xpv s PHE 30 Cb -0.04 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1xpv s PHE 30 CO 0.09 0.53 0.13 -1.12 -0.10 0.00 0.00 175.22 174.74 1xpv s SER 31 N -0.89 6.21 -0.09 1.36 0.01 -1.26 -3.16 113.70 115.88 1xpv s SER 31 Ca 0.13 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1xpv s SER 31 Cb -0.12 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1xpv s SER 31 CO 0.03 0.28 -0.16 -0.69 0.41 0.00 0.00 173.24 173.11 1xpv s VAL 32 N -0.26 1.51 -0.17 3.43 1.01 -1.23 -5.02 120.40 119.66 1xpv s VAL 32 Ca 0.11 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1xpv s VAL 32 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1xpv s VAL 32 CO 0.01 0.44 0.53 -0.36 0.00 0.00 0.00 175.10 175.72 1xpv s PHE 33 N 0.74 3.42 -0.64 5.22 0.08 -1.26 -1.53 117.98 124.01 1xpv s PHE 33 Ca -0.12 0.85 0.25 0.00 0.12 0.00 0.00 56.93 58.03 1xpv s PHE 33 Cb -0.16 -2.67 0.56 0.00 -0.57 0.00 0.00 43.02 40.19 1xpv s PHE 33 CO 0.02 -0.03 1.58 -0.84 -0.10 0.00 0.00 175.22 175.86 1xpv h ILE 34 N 5.00 0.00 -3.66 0.64 3.07 -1.86 -3.44 117.51 117.26 1xpv h ILE 34 Ca -0.36 -0.58 -0.56 0.00 1.55 0.00 0.00 64.86 64.91 1xpv h ILE 34 Cb 1.16 1.43 0.14 0.00 -0.27 0.00 0.00 36.82 39.29 1xpv h ILE 34 CO 0.75 0.00 0.41 -0.90 -1.05 0.00 0.00 178.15 177.36 1xpv n ASP 35 N -2.36 2.04 0.00 2.16 5.75 -1.26 -2.16 116.55 120.72 1xpv n ASP 35 Ca 0.04 0.99 0.00 0.00 -0.01 0.00 0.00 54.79 55.81 1xpv n ASP 35 Cb 0.45 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.06 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1xpv n ASP 36 N -0.40 0.00 -4.55 -1.12 2.03 -1.26 -4.88 116.55 106.38 1xpv n ASP 36 Ca 0.10 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.05 1xpv n ASP 36 Cb 0.43 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.80 1xpv n ASP 36 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1xpv s ASP 37 N 0.00 5.35 0.34 1.67 1.01 -0.92 -4.79 116.67 119.34 1xpv s ASP 37 Ca 0.00 -0.00 0.05 0.00 0.71 0.00 0.00 52.55 53.30 1xpv s ASP 37 Cb 0.00 -2.54 0.61 0.00 1.01 0.00 0.00 42.92 42.00 1xpv s ASP 37 CO 0.00 -2.39 1.87 0.00 0.21 0.00 0.00 175.17 174.87 1xpv h ALA 38 N 13.60 1.37 -0.16 5.23 0.00 -1.90 0.11 119.26 137.51 1xpv h ALA 38 Ca -0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1xpv h ALA 38 Cb 1.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xpv h ALA 38 CO 1.23 0.43 0.07 0.00 0.00 0.00 0.00 179.25 180.98 1xpv h ALA 39 N 1.51 0.19 -0.22 0.00 0.00 -1.91 0.71 119.26 119.54 1xpv h ALA 39 Ca 0.10 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1xpv h ALA 39 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xpv h ALA 39 CO 0.01 -0.36 -0.36 -0.07 0.00 0.00 0.00 179.25 178.47 1xpv h LEU 40 N 0.16 0.49 -0.22 0.00 3.38 -1.74 0.16 115.31 117.54 1xpv h LEU 40 Ca 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1xpv h LEU 40 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1xpv h LEU 40 CO -0.05 0.82 0.05 -0.33 0.09 0.00 0.00 178.44 179.02 1xpv h GLU 41 N 0.40 0.35 0.00 1.13 4.39 -0.01 0.53 114.58 121.37 1xpv h GLU 41 Ca 0.04 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1xpv h GLU 41 Cb 0.82 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1xpv h GLU 41 CO 0.07 0.47 -0.57 1.03 -1.16 0.00 0.00 179.01 178.85 1xpv h SER 42 N 0.17 0.00 -0.15 1.42 0.87 0.54 1.47 113.55 117.87 1xpv h SER 42 Ca 0.07 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 1xpv h SER 42 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1xpv h SER 42 CO 0.00 0.57 -0.39 0.00 -0.53 0.00 0.00 176.83 176.48 1xpv h ALA 43 N 1.43 0.25 -0.08 6.23 0.00 -0.37 -3.42 119.26 123.30 1xpv h ALA 43 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xpv h ALA 43 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xpv h ALA 43 CO 0.07 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.32 1xpv n TYR 44 N -4.30 0.00 0.00 0.00 4.01 0.18 -4.90 117.16 112.15 1xpv n TYR 44 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1xpv n TYR 44 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1xpv n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xpv n GLY 45 N 2.31 0.37 0.09 2.72 0.00 0.50 -1.24 105.19 109.94 1xpv n GLY 45 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 1xpv n GLY 45 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xpv h LEU 46 N 0.00 0.00 -3.40 0.99 -0.00 -1.93 -3.33 115.31 107.63 1xpv h LEU 46 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.55 1xpv h LEU 46 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 40.51 1xpv h LEU 46 CO 0.00 0.68 0.43 0.54 -0.00 0.00 0.00 178.44 180.09 1xpv n ARG 47 N -2.94 1.82 -0.10 1.13 1.74 -0.37 -4.49 116.66 113.45 1xpv n ARG 47 Ca -0.11 -1.68 -0.06 0.00 -0.77 0.00 0.00 57.85 55.23 1xpv n ARG 47 Cb 0.89 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.69 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xpv h VAL 48 N 0.88 0.84 0.00 1.55 2.07 -1.79 -3.17 116.25 116.63 1xpv h VAL 48 Ca 0.32 -0.07 -0.67 0.00 0.82 0.00 0.00 66.70 67.10 1xpv h VAL 48 Cb 1.16 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1xpv h VAL 48 CO 0.77 0.04 2.72 -0.81 0.02 0.00 0.00 177.57 180.31 1xpv n PRO 49 N -5.08 2.17 -4.60 1.57 -0.04 -1.23 -3.67 135.00 124.11 1xpv n PRO 49 Ca 0.01 -2.18 -0.33 0.00 -0.04 0.00 0.00 63.50 60.96 1xpv n PRO 49 Cb 0.15 -3.07 -0.15 0.00 -0.04 0.00 0.00 33.50 30.39 1xpv n PRO 49 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xpv s VAL 50 N 4.08 2.72 -0.27 0.52 1.01 -1.20 -3.99 120.40 123.27 1xpv s VAL 50 Ca 0.52 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 1xpv s VAL 50 Cb 0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1xpv s VAL 50 CO 0.02 0.52 0.26 -0.76 0.00 0.00 0.00 175.10 175.14 1xpv s LEU 51 N 0.71 4.04 0.04 3.92 1.43 -1.22 -2.93 118.68 124.67 1xpv s LEU 51 Ca -0.07 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.25 1xpv s LEU 51 Cb -0.16 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1xpv s LEU 51 CO 0.02 -0.09 -0.24 0.00 0.23 0.00 0.00 176.35 176.26 1xpv s ARG 52 N 1.82 1.87 0.31 1.70 1.70 -0.67 0.20 118.95 125.89 1xpv s ARG 52 Ca 0.10 -1.07 0.03 0.00 -0.47 0.00 0.00 55.73 54.32 1xpv s ARG 52 Cb -0.16 -2.03 -0.05 0.00 -0.57 0.00 0.00 34.95 32.14 1xpv s ARG 52 CO 0.10 0.52 0.09 -0.51 -1.08 0.00 0.00 175.30 174.42 1xpv s ASP 53 N -1.27 1.99 -0.07 -2.89 1.01 0.07 -2.12 116.67 113.39 1xpv s ASP 53 Ca 0.12 -1.43 -0.15 0.00 0.71 0.00 0.00 52.55 51.81 1xpv s ASP 53 Cb -0.10 0.10 -0.10 0.00 1.01 0.00 0.00 42.92 43.83 1xpv s ASP 53 CO 0.03 -0.71 0.57 1.55 0.21 0.00 0.00 175.17 176.82 1xpv h PRO 54 N 2.17 -0.23 0.00 8.23 0.13 -1.88 -3.34 132.00 137.08 1xpv h PRO 54 Ca -0.39 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1xpv h PRO 54 Cb 1.25 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1xpv h PRO 54 CO 0.64 0.06 -0.88 0.00 -0.23 0.00 0.00 178.00 177.59 1xpv n MET 55 N -4.92 2.03 0.18 0.86 0.00 -1.26 -4.52 117.12 109.48 1xpv n MET 55 Ca -0.06 -0.03 0.13 0.00 0.00 0.00 0.00 57.70 57.75 1xpv n MET 55 Cb 0.20 -0.99 0.42 0.00 0.00 0.00 0.00 33.22 32.86 1xpv n MET 55 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1xpv h GLY 56 N 1.07 0.00 0.00 3.17 0.00 -1.79 -3.38 103.07 102.14 1xpv h GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xpv h GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1xpv n ARG 57 N -2.66 0.00 -4.23 4.80 1.74 -1.25 -4.53 116.66 110.53 1xpv n ARG 57 Ca 0.03 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 1xpv n ARG 57 Cb 0.39 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.73 1xpv n ARG 57 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1xpv s GLU 58 N -0.23 3.54 0.01 5.56 8.01 -1.26 -0.75 118.70 133.58 1xpv s GLU 58 Ca 0.00 -0.40 -0.03 0.00 0.01 0.00 0.00 54.97 54.55 1xpv s GLU 58 Cb 0.00 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.79 1xpv s GLU 58 CO 0.00 0.44 0.20 -1.17 0.01 0.00 0.00 175.26 174.74 1xpv s LEU 59 N -0.13 4.36 0.99 1.80 2.96 0.13 -4.98 118.68 123.82 1xpv s LEU 59 Ca 0.05 0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 54.20 1xpv s LEU 59 Cb -0.12 -2.72 0.13 0.00 0.50 0.00 0.00 46.19 43.98 1xpv s LEU 59 CO 0.02 0.23 0.78 -0.67 -1.32 0.00 0.00 176.35 175.39 1xpv n ASP 60 N 0.79 -1.04 0.06 3.68 -0.08 -1.26 -3.39 116.55 115.31 1xpv n ASP 60 Ca -0.09 0.24 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 1xpv n ASP 60 Cb 0.52 -1.31 -0.09 0.00 2.34 0.00 0.00 41.12 42.59 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1xpv h TRP 61 N -1.95 -0.18 -3.22 -0.67 -0.00 -1.96 -3.41 115.95 104.56 1xpv h TRP 61 Ca -0.47 -0.00 -0.57 0.00 -0.00 0.00 0.00 58.89 57.85 1xpv h TRP 61 Cb 1.29 0.06 -0.05 0.00 -0.00 0.00 0.00 29.16 30.46 1xpv h TRP 61 CO 0.39 0.23 1.05 -1.25 -0.00 0.00 0.00 178.44 178.85 1xpv s PRO 62 N -4.30 3.68 0.34 2.65 0.04 -1.26 -4.94 135.00 131.21 1xpv s PRO 62 Ca -0.15 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 1xpv s PRO 62 Cb 0.02 -3.99 0.02 0.00 0.04 0.00 0.00 34.50 30.60 1xpv s PRO 62 CO 0.59 -1.43 0.62 -0.59 0.04 0.00 0.00 177.00 176.23 1xpv s PHE 63 N 5.13 0.49 0.20 0.56 -0.12 -1.26 -5.12 117.98 117.85 1xpv s PHE 63 Ca 0.60 -0.94 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 1xpv s PHE 63 Cb -0.15 0.39 0.01 0.00 -0.63 0.00 0.00 43.02 42.64 1xpv s PHE 63 CO 0.30 -1.30 0.08 -0.25 -0.05 0.00 0.00 175.22 173.99 1xpv n ASP 64 N -1.20 2.08 -0.05 1.98 8.00 -1.26 -4.97 116.55 121.13 1xpv n ASP 64 Ca -0.04 -1.76 -0.14 0.00 0.71 0.00 0.00 54.79 53.56 1xpv n ASP 64 Cb 0.61 0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.64 1xpv n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpv h ALA 65 N 0.91 -0.00 0.00 2.24 0.00 -1.96 -1.71 119.26 118.74 1xpv h ALA 65 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 65 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xpv h ALA 65 CO 0.23 -0.02 0.00 -1.00 0.00 0.00 0.00 179.25 178.46 1xpv h PRO 66 N -0.84 0.00 0.03 0.00 0.13 -1.94 -1.69 132.00 127.68 1xpv h PRO 66 Ca -0.01 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.87 1xpv h PRO 66 Cb 0.94 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 1xpv h PRO 66 CO 0.01 0.00 -1.27 -0.09 -0.23 0.00 0.00 178.00 176.42 1xpv h ARG 67 N 0.00 0.06 0.10 0.86 2.43 -1.96 -1.90 114.38 113.97 1xpv h ARG 67 Ca 0.00 -0.10 -0.26 0.00 -0.81 0.00 0.00 59.98 58.80 1xpv h ARG 67 Cb 0.74 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1xpv h ARG 67 CO 0.00 0.91 -1.18 1.25 -1.51 0.00 0.00 179.97 179.44 1xpv h LEU 68 N 0.02 0.43 0.08 3.80 5.85 -1.16 -2.70 115.31 121.63 1xpv h LEU 68 Ca -0.12 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1xpv h LEU 68 Cb 1.88 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1xpv h LEU 68 CO 0.13 1.32 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.42 1xpv h ARG 69 N 0.10 -0.10 -0.82 1.25 9.65 -1.39 -2.29 114.38 120.78 1xpv h ARG 69 Ca -0.12 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.90 1xpv h ARG 69 Cb 1.89 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 30.43 1xpv h ARG 69 CO 0.19 0.42 0.53 0.00 2.80 0.00 0.00 179.97 183.92 1xpv h ALA 70 N 0.07 1.90 -0.68 2.80 0.00 -1.46 0.40 119.26 122.29 1xpv h ALA 70 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1xpv h ALA 70 Cb 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1xpv h ALA 70 CO 0.02 -0.10 0.13 2.35 0.00 0.00 0.00 179.25 181.64 1xpv h TRP 71 N 0.62 1.17 -0.04 0.00 7.01 -1.45 1.18 115.95 124.44 1xpv h TRP 71 Ca 0.40 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1xpv h TRP 71 Cb 0.67 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1xpv h TRP 71 CO -0.00 0.97 0.02 -0.07 -2.79 0.00 0.00 178.44 176.57 1xpv h LEU 72 N 1.04 0.06 -0.73 0.65 3.38 0.29 -2.62 115.31 117.37 1xpv h LEU 72 Ca 0.21 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1xpv h LEU 72 Cb 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xpv h LEU 72 CO 0.01 0.13 -0.28 0.44 0.09 0.00 0.00 178.44 178.83 1xpv h ASP 73 N -0.03 0.68 -1.55 -0.43 3.32 -0.69 -2.74 116.42 114.98 1xpv h ASP 73 Ca 0.02 -0.26 0.50 0.00 0.02 0.00 0.00 57.03 57.31 1xpv h ASP 73 Cb 0.09 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 39.33 1xpv h ASP 73 CO -0.00 0.92 1.04 0.00 -1.72 0.00 0.00 179.24 179.48 1xpv h ALA 74 N 1.12 3.13 -6.89 3.45 0.00 0.18 -3.44 119.26 116.81 1xpv h ALA 74 Ca 0.07 0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.49 1xpv h ALA 74 Cb 0.77 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xpv h ALA 74 CO 0.06 -1.77 -1.06 0.00 0.00 0.00 0.00 179.25 176.48 1xpv n ALA 75 N -2.64 -2.71 -1.54 0.00 0.00 -1.04 -4.90 120.51 107.68 1xpv n ALA 75 Ca 0.41 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1xpv n ALA 75 Cb 1.68 -1.72 0.14 0.00 0.00 0.00 0.00 19.45 19.54 1xpv n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xpv s PRO 76 N -6.40 1.07 0.05 0.00 0.04 -1.26 -5.01 135.00 123.48 1xpv s PRO 76 Ca 0.28 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1xpv s PRO 76 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1xpv s PRO 76 CO 0.94 -2.24 0.00 0.72 0.04 0.00 0.00 177.00 176.46 1xpv n HIS 77 N -3.79 -0.32 -1.65 0.56 8.25 -1.26 -4.34 115.22 112.67 1xpv n HIS 77 Ca 0.07 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1xpv n HIS 77 Cb 0.59 0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98