#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpv n ALA 2 N 0.00 -0.09 -1.59 3.17 0.00 -1.26 -5.11 120.51 115.63 1xpv n ALA 2 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 1xpv n ALA 2 Cb 0.00 0.04 0.17 0.00 0.00 0.00 0.00 19.45 19.66 1xpv n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xpv n LEU 3 N 0.00 0.00 -3.27 0.00 4.77 -1.26 -4.15 117.00 113.08 1xpv n LEU 3 Ca -0.00 -1.12 -0.02 0.00 -0.03 0.00 0.00 56.01 54.84 1xpv n LEU 3 Cb 0.03 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 1xpv n LEU 3 CO 0.01 -1.40 0.06 -0.89 -1.33 0.00 0.00 177.39 173.85 1xpv s THR 4 N -3.17 -0.81 -0.41 -5.08 2.01 -0.52 -3.04 115.64 104.61 1xpv s THR 4 Ca 0.60 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 1xpv s THR 4 Cb -0.02 -0.91 0.09 0.00 0.01 0.00 0.00 72.50 71.67 1xpv s THR 4 CO 0.43 -0.05 0.22 -0.22 -0.69 0.00 0.00 174.62 174.31 1xpv s LEU 5 N 2.71 5.08 0.19 4.42 2.96 -1.17 -0.69 118.68 132.19 1xpv s LEU 5 Ca 0.16 -1.65 -0.31 0.00 -0.22 0.00 0.00 54.13 52.10 1xpv s LEU 5 Cb -0.15 -1.92 -0.10 0.00 0.50 0.00 0.00 46.19 44.52 1xpv s LEU 5 CO -0.18 -0.52 1.55 -0.31 -1.32 0.00 0.00 176.35 175.56 1xpv s TYR 6 N 1.33 3.03 -0.04 5.38 2.02 -1.09 -3.70 117.35 124.27 1xpv s TYR 6 Ca 0.04 0.72 -0.29 0.00 -0.37 0.00 0.00 57.07 57.17 1xpv s TYR 6 Cb -0.23 -3.92 0.10 0.00 -0.40 0.00 0.00 41.96 37.51 1xpv s TYR 6 CO -0.00 -3.30 0.83 1.14 -1.57 0.00 0.00 175.55 172.65 1xpv s GLN 7 N 0.68 0.88 -0.11 -0.62 1.03 -0.38 -3.60 119.66 117.55 1xpv s GLN 7 Ca 0.67 -0.06 -0.02 0.00 0.04 0.00 0.00 55.36 55.99 1xpv s GLN 7 Cb -0.44 0.41 0.04 0.00 0.03 0.00 0.00 33.01 33.05 1xpv s GLN 7 CO 0.35 -0.33 0.03 0.50 -2.54 0.00 0.00 175.29 173.30 1xpv s ARG 8 N -2.15 0.51 0.29 9.60 3.00 -1.26 -3.78 118.95 125.16 1xpv s ARG 8 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 55.73 54.67 1xpv s ARG 8 Cb -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 34.95 33.59 1xpv s ARG 8 CO -0.02 -0.44 0.00 -0.25 0.00 0.00 0.00 175.30 174.59 1xpv n ASP 9 N 5.15 -8.82 -4.62 -2.12 9.92 -1.26 -4.65 116.55 110.15 1xpv n ASP 9 Ca -0.07 1.28 -0.62 0.00 -0.53 0.00 0.00 54.79 54.84 1xpv n ASP 9 Cb 0.49 -4.74 -0.09 0.00 -0.64 0.00 0.00 41.12 36.14 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1xpv n ASP 10 N 1.00 1.52 -4.38 -2.24 2.03 -1.26 -4.91 116.55 108.31 1xpv n ASP 10 Ca 0.00 1.00 -0.19 0.00 0.52 0.00 0.00 54.79 56.12 1xpv n ASP 10 Cb 0.00 -0.98 -0.10 0.00 -0.72 0.00 0.00 41.12 39.31 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xpv h HIS 12 N 2.38 -0.36 -1.01 0.00 3.86 -1.98 0.22 115.15 118.26 1xpv h HIS 12 Ca -0.39 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.10 1xpv h HIS 12 Cb 1.23 0.12 -0.14 0.00 1.06 0.00 0.00 27.41 29.68 1xpv h HIS 12 CO 0.64 -0.03 0.59 1.25 0.86 0.00 0.00 177.93 181.24 1xpv h LEU 13 N -0.96 0.58 -0.08 2.43 5.85 -1.99 0.79 115.31 121.92 1xpv h LEU 13 Ca -0.04 0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1xpv h LEU 13 Cb 0.49 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1xpv h LEU 13 CO 0.07 -0.02 -0.38 0.00 -0.34 0.00 0.00 178.44 177.76 1xpv h ASP 15 N -0.05 -0.30 -0.58 0.00 1.82 0.37 0.35 116.42 118.03 1xpv h ASP 15 Ca -0.02 0.13 0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1xpv h ASP 15 Cb 1.03 0.25 -0.03 0.00 0.68 0.00 0.00 39.33 41.26 1xpv h ASP 15 CO 0.08 -0.11 0.38 1.56 -1.61 0.00 0.00 179.24 179.55 1xpv h GLN 16 N 0.07 0.75 -0.46 0.28 4.20 -0.13 -1.25 115.11 118.57 1xpv h GLN 16 Ca 0.25 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 1xpv h GLN 16 Cb 0.39 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1xpv h GLN 16 CO -0.46 0.50 0.10 0.00 -0.67 0.00 0.00 178.83 178.30 1xpv h ALA 17 N 1.64 0.61 -0.47 3.87 0.00 -0.06 -2.21 119.26 122.64 1xpv h ALA 17 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xpv h ALA 17 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1xpv h ALA 17 CO -0.05 0.31 0.26 0.28 0.00 0.00 0.00 179.25 180.06 1xpv h VAL 18 N 0.62 1.15 0.07 0.00 2.07 0.29 -2.28 116.25 118.17 1xpv h VAL 18 Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1xpv h VAL 18 Cb 0.35 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xpv h VAL 18 CO 0.00 0.16 -0.06 -0.08 0.02 0.00 0.00 177.57 177.61 1xpv h GLU 19 N 0.66 -0.14 -0.96 1.57 4.22 -0.67 -0.92 114.58 118.34 1xpv h GLU 19 Ca 0.17 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.73 1xpv h GLU 19 Cb 0.01 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1xpv h GLU 19 CO -0.03 -0.09 0.59 0.00 -2.18 0.00 0.00 179.01 177.30 1xpv h ALA 20 N 0.78 1.42 0.41 2.92 0.00 -1.01 0.48 119.26 124.26 1xpv h ALA 20 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xpv h ALA 20 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xpv h ALA 20 CO -0.01 0.20 -0.30 -0.07 0.00 0.00 0.00 179.25 179.07 1xpv h LEU 21 N 0.95 -0.79 -0.38 0.00 3.38 -0.85 0.83 115.31 118.45 1xpv h LEU 21 Ca 0.47 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.53 1xpv h LEU 21 Cb 0.44 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1xpv h LEU 21 CO -0.26 -0.46 0.17 0.00 0.09 0.00 0.00 178.44 177.98 1xpv h ALA 22 N -0.21 0.46 -0.76 1.53 0.00 -0.26 0.15 119.26 120.16 1xpv h ALA 22 Ca -0.04 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xpv h ALA 22 Cb 0.60 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1xpv h ALA 22 CO 0.01 -0.21 0.46 1.96 0.00 0.00 0.00 179.25 181.47 1xpv h GLN 23 N 0.35 0.84 0.00 0.00 4.20 0.31 0.35 115.11 121.15 1xpv h GLN 23 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1xpv h GLN 23 Cb 0.10 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1xpv h GLN 23 CO -0.13 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1xpv n ALA 24 N -2.34 1.90 -3.66 3.87 0.00 0.28 -4.87 120.51 115.68 1xpv n ALA 24 Ca 0.10 -0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.22 1xpv n ALA 24 Cb 0.15 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.52 -7.43 0.29 0.00 5.12 0.12 -4.81 116.66 108.43 1xpv n ARG 25 Ca 0.05 0.78 -0.16 0.00 -1.93 0.00 0.00 57.85 56.59 1xpv n ARG 25 Cb 0.23 -5.80 -0.08 0.00 -1.16 0.00 0.00 32.46 25.65 1xpv n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xpv h ALA 26 N 1.00 -1.14 0.00 7.54 0.00 -1.55 -3.49 119.26 121.62 1xpv h ALA 26 Ca -0.57 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1xpv h ALA 26 Cb 1.37 0.59 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1xpv h ALA 26 CO 0.58 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 179.10 1xpv n GLY 27 N -1.49 0.39 3.92 0.00 0.00 -1.26 -5.08 105.19 101.66 1xpv n GLY 27 Ca -0.11 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 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 3.75 0.38 4.61 0.00 -1.26 -4.96 121.76 123.06 1xpv s ALA 28 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 1xpv s ALA 28 Cb 0.00 -2.11 0.04 0.00 0.00 0.00 0.00 23.12 21.06 1xpv s ALA 28 CO 0.00 0.35 0.72 -0.59 0.00 0.00 0.00 175.76 176.25 1xpv s PHE 29 N -1.96 0.34 -0.00 0.00 -0.12 -1.26 -4.43 117.98 110.55 1xpv s PHE 29 Ca 0.40 -0.93 0.06 0.00 -0.05 0.00 0.00 56.93 56.42 1xpv s PHE 29 Cb -0.11 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 1xpv s PHE 29 CO 0.29 -1.49 -0.20 -0.06 -0.05 0.00 0.00 175.22 173.72 1xpv s PHE 30 N -2.42 2.52 0.04 3.49 0.08 -1.17 -4.97 117.98 115.55 1xpv s PHE 30 Ca 0.19 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.83 1xpv s PHE 30 Cb -0.04 -1.52 -0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1xpv s PHE 30 CO 0.14 0.14 0.40 0.45 -0.10 0.00 0.00 175.22 176.24 1xpv s SER 31 N -0.97 6.70 -0.04 1.36 0.15 -1.26 -3.05 113.70 116.59 1xpv s SER 31 Ca 0.12 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1xpv s SER 31 Cb -0.10 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1xpv s SER 31 CO 0.02 0.24 -0.02 -0.69 1.20 0.00 0.00 173.24 173.99 1xpv s VAL 32 N -1.26 0.37 -0.19 4.45 1.01 -1.24 -4.99 120.40 118.55 1xpv s VAL 32 Ca 0.29 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1xpv s VAL 32 Cb -0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1xpv s VAL 32 CO 0.16 0.20 0.52 -0.36 0.00 0.00 0.00 175.10 175.62 1xpv s PHE 33 N 1.09 3.39 -0.54 5.22 0.08 -1.25 -1.24 117.98 124.73 1xpv s PHE 33 Ca -0.09 0.81 0.25 0.00 0.12 0.00 0.00 56.93 58.02 1xpv s PHE 33 Cb -0.14 -2.67 0.91 0.00 -0.57 0.00 0.00 43.02 40.56 1xpv s PHE 33 CO -0.01 -0.07 1.75 -0.84 -0.10 0.00 0.00 175.22 175.95 1xpv h ILE 34 N 5.07 0.00 -3.89 0.64 3.07 -1.93 -3.44 117.51 117.03 1xpv h ILE 34 Ca -0.35 -0.39 -0.56 0.00 1.55 0.00 0.00 64.86 65.12 1xpv h ILE 34 Cb 1.16 1.26 0.15 0.00 -0.27 0.00 0.00 36.82 39.12 1xpv h ILE 34 CO 0.74 0.00 0.42 -0.90 -1.05 0.00 0.00 178.15 177.36 1xpv n ASP 35 N -2.35 1.87 0.00 2.16 5.75 -1.26 -2.40 116.55 120.33 1xpv n ASP 35 Ca 0.03 0.88 0.00 0.00 -0.01 0.00 0.00 54.79 55.69 1xpv n ASP 35 Cb 0.33 -1.51 0.00 0.00 -1.03 0.00 0.00 41.12 38.91 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 -1.20 0.00 -4.57 -1.12 2.03 -1.26 -4.84 116.55 105.59 1xpv n ASP 36 Ca 0.13 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.14 1xpv n ASP 36 Cb 0.46 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.81 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 5.33 0.32 1.67 1.11 -1.01 -4.74 116.67 119.35 1xpv s ASP 37 Ca 0.00 -1.52 0.07 0.00 0.18 0.00 0.00 52.55 51.28 1xpv s ASP 37 Cb 0.00 -2.58 0.76 0.00 1.07 0.00 0.00 42.92 42.17 1xpv s ASP 37 CO 0.00 -2.72 1.81 0.00 1.18 0.00 0.00 175.17 175.44 1xpv h ALA 38 N 9.83 1.74 -0.48 5.23 0.00 -1.88 0.51 119.26 134.21 1xpv h ALA 38 Ca 0.22 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1xpv h ALA 38 Cb 0.95 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1xpv h ALA 38 CO 1.26 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 180.66 1xpv h ALA 39 N 1.62 0.60 -0.09 0.00 0.00 -1.91 0.82 119.26 120.30 1xpv h ALA 39 Ca 0.54 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.35 1xpv h ALA 39 Cb 0.85 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1xpv h ALA 39 CO -0.32 -0.14 -0.53 -0.07 0.00 0.00 0.00 179.25 178.19 1xpv h LEU 40 N 0.44 0.27 -0.15 0.00 3.38 -0.92 0.90 115.31 119.22 1xpv h LEU 40 Ca 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xpv h LEU 40 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xpv h LEU 40 CO -0.17 0.75 -0.01 -0.33 0.09 0.00 0.00 178.44 178.76 1xpv h GLU 41 N 0.19 0.27 0.00 1.13 4.39 0.13 0.49 114.58 121.19 1xpv h GLU 41 Ca 0.00 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1xpv h GLU 41 Cb 1.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1xpv h GLU 41 CO 0.08 0.52 -0.54 1.03 -1.16 0.00 0.00 179.01 178.94 1xpv h SER 42 N 0.00 0.00 -0.11 1.42 0.87 0.67 1.45 113.55 117.85 1xpv h SER 42 Ca 0.04 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1xpv h SER 42 Cb 0.40 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1xpv h SER 42 CO 0.01 0.54 -0.52 0.00 -0.53 0.00 0.00 176.83 176.33 1xpv h ALA 43 N 1.46 0.21 -0.43 6.23 0.00 -0.62 -3.42 119.26 122.69 1xpv h ALA 43 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xpv h ALA 43 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xpv h ALA 43 CO 0.07 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.39 1xpv n TYR 44 N -4.21 0.00 0.00 0.00 4.01 0.17 -4.90 117.16 112.23 1xpv n TYR 44 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1xpv n TYR 44 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 2.12 0.30 0.07 2.72 0.00 0.50 -1.12 105.19 109.78 1xpv n GLY 45 Ca 0.00 0.79 -0.09 0.00 0.00 0.00 0.00 46.02 46.72 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 0.08 -3.37 0.99 -0.00 -1.93 -3.26 115.31 107.82 1xpv h LEU 46 Ca 0.00 -0.09 -0.33 0.00 -0.00 0.00 0.00 57.88 57.46 1xpv h LEU 46 Cb 0.00 -0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 40.48 1xpv h LEU 46 CO 0.00 1.07 0.42 0.54 -0.00 0.00 0.00 178.44 180.47 1xpv n ARG 47 N -3.33 1.80 -0.13 1.13 1.74 -0.28 -4.52 116.66 113.07 1xpv n ARG 47 Ca -0.05 -1.65 -0.04 0.00 -0.77 0.00 0.00 57.85 55.34 1xpv n ARG 47 Cb 0.97 -1.65 0.02 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.85 0.58 -0.27 1.55 2.07 -1.77 -3.13 116.25 116.13 1xpv h VAL 48 Ca 0.32 -0.00 -0.61 0.00 0.82 0.00 0.00 66.70 67.23 1xpv h VAL 48 Cb 1.23 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1xpv h VAL 48 CO 0.75 0.00 2.28 -0.81 0.02 0.00 0.00 177.57 179.80 1xpv n PRO 49 N -5.32 2.25 -4.59 1.57 -0.04 -1.24 -4.08 135.00 123.56 1xpv n PRO 49 Ca 0.03 -2.48 -0.33 0.00 -0.04 0.00 0.00 63.50 60.68 1xpv n PRO 49 Cb 0.23 -3.30 -0.16 0.00 -0.04 0.00 0.00 33.50 30.23 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 5.53 2.49 -0.35 0.52 1.01 -1.19 -3.94 120.40 124.47 1xpv s VAL 50 Ca 0.56 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 1xpv s VAL 50 Cb 0.09 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1xpv s VAL 50 CO 0.06 0.53 0.85 -0.22 0.00 0.00 0.00 175.10 176.31 1xpv s LEU 51 N 0.80 4.07 0.03 3.92 2.96 -1.23 -2.68 118.68 126.54 1xpv s LEU 51 Ca -0.06 0.51 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 1xpv s LEU 51 Cb -0.15 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1xpv s LEU 51 CO -0.00 -0.76 -0.08 -0.60 -1.32 0.00 0.00 176.35 173.58 1xpv s ARG 52 N 3.23 2.45 0.35 1.98 3.00 0.13 -1.40 118.95 128.68 1xpv s ARG 52 Ca 0.34 -0.79 0.08 0.00 -1.00 0.00 0.00 55.73 54.36 1xpv s ARG 52 Cb -0.13 -2.45 -0.04 0.00 0.00 0.00 0.00 34.95 32.34 1xpv s ARG 52 CO 0.17 0.58 0.20 -0.51 0.00 0.00 0.00 175.30 175.73 1xpv s ASP 53 N -1.57 4.83 0.33 -2.12 1.11 -0.34 -1.44 116.67 117.48 1xpv s ASP 53 Ca 0.18 -0.73 0.17 0.00 0.18 0.00 0.00 52.55 52.35 1xpv s ASP 53 Cb -0.11 -0.76 0.45 0.00 1.07 0.00 0.00 42.92 43.57 1xpv s ASP 53 CO 0.09 -0.35 1.62 1.55 1.18 0.00 0.00 175.17 179.25 1xpv h PRO 54 N 1.43 0.00 0.13 8.23 0.13 -1.90 -3.26 132.00 136.76 1xpv h PRO 54 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1xpv h PRO 54 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xpv h PRO 54 CO 0.62 0.45 -0.06 0.52 -0.23 0.00 0.00 178.00 179.30 1xpv h MET 55 N 0.00 -0.16 0.00 0.86 2.86 -1.94 -3.47 114.93 113.07 1xpv h MET 55 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xpv h MET 55 Cb 1.09 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1xpv h MET 55 CO 0.06 0.10 0.00 0.41 1.06 0.00 0.00 176.91 178.53 1xpv n GLY 56 N -0.49 0.18 3.08 8.32 0.00 -1.23 -5.15 105.19 109.90 1xpv n GLY 56 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1xpv n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpv s ARG 57 N 0.00 0.60 0.24 1.61 0.52 -1.26 -5.00 118.95 115.66 1xpv s ARG 57 Ca 0.00 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.11 1xpv s ARG 57 Cb 0.00 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 1xpv s ARG 57 CO 0.00 -0.08 0.02 -1.21 0.02 0.00 0.00 175.30 174.05 1xpv s GLU 58 N -3.46 1.38 0.03 3.54 2.02 -1.26 -1.20 118.70 119.75 1xpv s GLU 58 Ca 0.04 -1.72 0.02 0.00 0.02 0.00 0.00 54.97 53.33 1xpv s GLU 58 Cb 0.04 -0.56 -0.02 0.00 0.10 0.00 0.00 34.13 33.70 1xpv s GLU 58 CO -0.08 -0.15 -0.07 -1.17 0.02 0.00 0.00 175.26 173.81 1xpv s LEU 59 N -3.32 2.18 0.41 1.80 2.96 -0.50 -5.00 118.68 117.21 1xpv s LEU 59 Ca 0.31 -0.41 -0.26 0.00 -0.22 0.00 0.00 54.13 53.56 1xpv s LEU 59 Cb 0.07 -0.21 -0.09 0.00 0.50 0.00 0.00 46.19 46.46 1xpv s LEU 59 CO 0.10 -0.12 1.31 -0.62 -1.32 0.00 0.00 176.35 175.70 1xpv s ASP 60 N -1.12 6.25 0.18 3.68 -1.08 -1.26 -3.53 116.67 119.79 1xpv s ASP 60 Ca -0.06 2.66 -0.21 0.00 -0.52 0.00 0.00 52.55 54.42 1xpv s ASP 60 Cb -0.07 -2.64 0.11 0.00 -1.46 0.00 0.00 42.92 38.85 1xpv s ASP 60 CO 0.00 -0.89 1.60 -0.25 0.52 0.00 0.00 175.17 176.15 1xpv h TRP 61 N 2.61 -0.81 -3.16 -5.34 -0.00 -1.96 -3.35 115.95 103.93 1xpv h TRP 61 Ca -0.50 0.06 -0.57 0.00 -0.00 0.00 0.00 58.89 57.89 1xpv h TRP 61 Cb 1.25 0.43 -0.05 0.00 -0.00 0.00 0.00 29.16 30.79 1xpv h TRP 61 CO 0.53 -0.36 1.02 -1.25 -0.00 0.00 0.00 178.44 178.37 1xpv s PRO 62 N -6.04 3.78 0.05 2.65 0.04 -1.26 -4.94 135.00 129.28 1xpv s PRO 62 Ca -0.15 1.17 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1xpv s PRO 62 Cb 0.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1xpv s PRO 62 CO 0.69 -1.30 0.08 1.97 0.04 0.00 0.00 177.00 178.49 1xpv n PHE 63 N 8.12 -0.79 -4.29 0.56 1.16 -1.26 -5.12 117.46 115.86 1xpv n PHE 63 Ca 0.16 -0.29 -0.15 0.00 -1.87 0.00 0.00 57.45 55.30 1xpv n PHE 63 Cb 0.47 0.09 -0.04 0.00 -1.61 0.00 0.00 39.48 38.39 1xpv n PHE 63 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1xpv n ASP 64 N -1.72 1.11 -0.04 5.98 9.92 -1.26 -4.98 116.55 125.57 1xpv n ASP 64 Ca -0.00 -2.25 -0.14 0.00 -0.53 0.00 0.00 54.79 51.87 1xpv n ASP 64 Cb 0.08 0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 41.04 1xpv n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xpv h ALA 65 N 1.39 0.01 0.00 2.24 0.00 -1.93 0.34 119.26 121.31 1xpv h ALA 65 Ca -0.18 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 1xpv h ALA 65 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xpv h ALA 65 CO 0.29 -0.09 -0.19 -1.00 0.00 0.00 0.00 179.25 178.26 1xpv h PRO 66 N -0.71 0.00 0.05 0.00 0.13 -1.93 -0.26 132.00 129.28 1xpv h PRO 66 Ca -0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.86 1xpv h PRO 66 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1xpv h PRO 66 CO 0.01 0.19 -1.32 -0.09 -0.23 0.00 0.00 178.00 176.55 1xpv h ARG 67 N 0.00 0.11 0.22 0.86 2.43 -1.96 -2.00 114.38 114.04 1xpv h ARG 67 Ca -0.00 -0.19 -0.33 0.00 -0.81 0.00 0.00 59.98 58.65 1xpv h ARG 67 Cb 0.89 0.07 0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1xpv h ARG 67 CO 0.02 0.97 -1.41 1.25 -1.51 0.00 0.00 179.97 179.29 1xpv h LEU 68 N 0.03 0.85 -0.07 3.80 5.85 -0.82 -2.76 115.31 122.19 1xpv h LEU 68 Ca -0.15 -0.87 -0.02 0.00 0.84 0.00 0.00 57.88 57.68 1xpv h LEU 68 Cb 1.91 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 1xpv h LEU 68 CO 0.14 1.68 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.80 1xpv h ARG 69 N 0.18 0.15 -0.21 1.25 9.65 -1.15 -0.94 114.38 123.32 1xpv h ARG 69 Ca -0.24 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.63 1xpv h ARG 69 Cb 2.10 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.66 1xpv h ARG 69 CO 0.27 0.50 0.15 0.00 2.80 0.00 0.00 179.97 183.68 1xpv h ALA 70 N 0.65 2.10 -0.03 2.80 0.00 -1.47 0.32 119.26 123.63 1xpv h ALA 70 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1xpv h ALA 70 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xpv h ALA 70 CO 0.01 -0.15 -0.75 2.35 0.00 0.00 0.00 179.25 180.71 1xpv h TRP 71 N 0.07 0.31 -0.38 0.00 7.01 -1.19 -0.20 115.95 121.58 1xpv h TRP 71 Ca 0.09 -0.15 -0.05 0.00 2.11 0.00 0.00 58.89 60.90 1xpv h TRP 71 Cb 0.29 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1xpv h TRP 71 CO -0.00 0.89 0.05 -0.07 -2.79 0.00 0.00 178.44 176.53 1xpv h LEU 72 N 0.15 0.60 -0.04 0.65 3.38 0.98 0.11 115.31 121.14 1xpv h LEU 72 Ca -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xpv h LEU 72 Cb 1.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1xpv h LEU 72 CO 0.12 0.72 0.00 -0.67 0.09 0.00 0.00 178.44 178.69 1xpv n ASP 73 N -4.54 0.27 0.09 -0.43 -0.08 -0.25 -2.47 116.55 109.13 1xpv n ASP 73 Ca -0.01 0.53 0.12 0.00 -1.51 0.00 0.00 54.79 53.92 1xpv n ASP 73 Cb 0.23 -0.60 0.03 0.00 2.34 0.00 0.00 41.12 43.13 1xpv n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xpv n ALA 74 N -1.60 2.67 -0.21 -1.67 0.00 -0.10 -4.11 120.51 115.50 1xpv n ALA 74 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1xpv n ALA 74 Cb 0.34 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.72 1xpv n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xpv h ALA 75 N 2.14 0.16 -3.03 0.00 0.00 -0.50 -3.41 119.26 114.62 1xpv h ALA 75 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xpv h ALA 75 Cb 0.93 0.65 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1xpv h ALA 75 CO 0.00 -0.57 0.01 -0.35 0.00 0.00 0.00 179.25 178.35 1xpv n PRO 76 N -5.44 -0.59 -3.67 0.00 -0.04 -1.26 -4.93 135.00 119.08 1xpv n PRO 76 Ca 0.06 -0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1xpv n PRO 76 Cb 0.35 -0.08 -0.10 0.00 -0.04 0.00 0.00 33.50 33.63 1xpv n PRO 76 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xpv s HIS 77 N -1.13 3.50 0.00 0.54 3.76 -1.26 -5.07 115.29 115.63 1xpv s HIS 77 Ca 0.04 -2.31 0.00 0.00 -0.15 0.00 0.00 55.06 52.63 1xpv s HIS 77 Cb -0.00 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.35 1xpv s HIS 77 CO 0.03 -0.95 0.05 0.00 -0.85 0.00 0.00 174.74 173.02