#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 2.75 0.52 3.04 0.00 -1.26 -4.95 121.76 121.86 1xpv s ALA 2 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1xpv s ALA 2 Cb 0.00 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.33 1xpv s ALA 2 CO 0.00 -1.69 0.18 1.28 0.00 0.00 0.00 175.76 175.53 1xpv n LEU 3 N -3.27 0.00 -3.40 0.00 4.77 -1.25 -4.08 117.00 109.77 1xpv n LEU 3 Ca 0.09 -2.98 -0.13 0.00 -0.03 0.00 0.00 56.01 52.96 1xpv n LEU 3 Cb 0.61 0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.78 1xpv n LEU 3 CO 0.54 -0.50 -0.12 -0.89 -1.33 0.00 0.00 177.39 175.08 1xpv s THR 4 N -2.74 -0.49 -0.24 -5.08 2.01 -0.88 -1.84 115.64 106.39 1xpv s THR 4 Ca 0.14 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 1xpv s THR 4 Cb -0.01 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 1xpv s THR 4 CO 0.09 -0.24 0.06 -0.22 -0.69 0.00 0.00 174.62 173.62 1xpv s LEU 5 N 2.45 3.43 0.19 4.42 2.96 -1.07 -1.19 118.68 129.87 1xpv s LEU 5 Ca 0.10 -0.19 -0.28 0.00 -0.22 0.00 0.00 54.13 53.54 1xpv s LEU 5 Cb -0.15 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 1xpv s LEU 5 CO -0.20 -0.01 0.87 -0.31 -1.32 0.00 0.00 176.35 175.38 1xpv s TYR 6 N 1.47 3.93 0.18 5.38 2.02 -1.09 -2.76 117.35 126.48 1xpv s TYR 6 Ca 0.06 1.77 0.01 0.00 -0.37 0.00 0.00 57.07 58.54 1xpv s TYR 6 Cb -0.15 -2.89 -0.05 0.00 -0.40 0.00 0.00 41.96 38.47 1xpv s TYR 6 CO 0.03 0.46 0.02 1.14 -1.57 0.00 0.00 175.55 175.63 1xpv s GLN 7 N -1.03 1.12 -0.23 -0.62 -2.07 0.08 -3.54 119.66 113.37 1xpv s GLN 7 Ca 0.39 -1.55 0.11 0.00 -1.82 0.00 0.00 55.36 52.50 1xpv s GLN 7 Cb -0.24 -0.19 0.45 0.00 -1.09 0.00 0.00 33.01 31.93 1xpv s GLN 7 CO 0.29 -0.17 1.19 -2.13 -1.32 0.00 0.00 175.29 173.16 1xpv n ARG 8 N -0.24 2.34 0.00 9.60 0.00 -1.26 -2.19 116.66 124.90 1xpv n ARG 8 Ca -0.06 -3.59 0.00 0.00 -0.00 0.00 0.00 57.85 54.21 1xpv n ARG 8 Cb 0.64 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1xpv n ARG 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1xpv n ASP 9 N -0.77 0.00 -4.73 6.15 -0.08 -1.26 -4.91 116.55 110.95 1xpv n ASP 9 Ca 0.28 0.00 -0.67 0.00 -1.51 0.00 0.00 54.79 52.88 1xpv n ASP 9 Cb 0.85 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.22 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 3.29 1.27 -4.00 1.67 2.03 -1.26 -4.80 116.55 114.75 1xpv n ASP 10 Ca 0.00 1.17 -0.43 0.00 0.52 0.00 0.00 54.79 56.05 1xpv n ASP 10 Cb 0.00 -0.90 0.01 0.00 -0.72 0.00 0.00 41.12 39.51 1xpv n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xpv n HIS 12 N 2.79 -0.24 -0.18 0.00 8.25 -1.26 -4.68 115.22 119.90 1xpv n HIS 12 Ca 0.33 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.76 1xpv n HIS 12 Cb 0.35 0.09 0.07 0.00 1.12 0.00 0.00 29.99 31.63 1xpv n HIS 12 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xpv h LEU 13 N 0.00 0.36 -0.16 2.41 5.85 -2.00 0.22 115.31 121.99 1xpv h LEU 13 Ca 0.00 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 1xpv h LEU 13 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1xpv h LEU 13 CO 0.00 0.24 -0.96 0.00 -0.34 0.00 0.00 178.44 177.38 1xpv h ASP 15 N 0.23 -0.91 -0.05 0.00 3.58 -1.47 0.39 116.42 118.18 1xpv h ASP 15 Ca -0.08 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1xpv h ASP 15 Cb 1.59 0.39 -0.00 0.00 1.72 0.00 0.00 39.33 43.03 1xpv h ASP 15 CO 0.17 -0.35 0.07 1.56 -2.88 0.00 0.00 179.24 177.80 1xpv h GLN 16 N -0.40 0.00 -0.06 0.28 4.20 -0.67 -0.83 115.11 117.63 1xpv h GLN 16 Ca 0.09 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1xpv h GLN 16 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1xpv h GLN 16 CO -0.31 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.62 1xpv h ALA 17 N 1.92 0.11 -0.52 3.87 0.00 -0.30 -2.72 119.26 121.62 1xpv h ALA 17 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xpv h ALA 17 Cb 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1xpv h ALA 17 CO -0.00 0.09 0.31 0.28 0.00 0.00 0.00 179.25 179.93 1xpv h VAL 18 N -0.25 1.15 0.09 0.00 2.07 0.63 -1.98 116.25 117.97 1xpv h VAL 18 Ca -0.01 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1xpv h VAL 18 Cb 0.86 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1xpv h VAL 18 CO 0.05 0.15 -0.05 -0.08 0.02 0.00 0.00 177.57 177.66 1xpv h GLU 19 N 0.71 -0.14 -0.94 1.57 4.22 -1.17 0.26 114.58 119.09 1xpv h GLU 19 Ca 0.19 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.72 1xpv h GLU 19 Cb -0.03 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1xpv h GLU 19 CO -0.04 -0.09 0.59 0.00 -2.18 0.00 0.00 179.01 177.29 1xpv h ALA 20 N 0.77 1.34 0.83 2.92 0.00 -1.10 0.63 119.26 124.66 1xpv h ALA 20 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xpv h ALA 20 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xpv h ALA 20 CO 0.01 0.28 -0.43 -0.07 0.00 0.00 0.00 179.25 179.04 1xpv h LEU 21 N 1.01 -1.04 -0.47 0.00 3.38 -0.77 0.66 115.31 118.09 1xpv h LEU 21 Ca 0.43 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.51 1xpv h LEU 21 Cb 0.30 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1xpv h LEU 21 CO -0.21 -0.71 0.14 0.00 0.09 0.00 0.00 178.44 177.75 1xpv h ALA 22 N -1.01 0.55 -0.94 1.53 0.00 -0.40 0.13 119.26 119.12 1xpv h ALA 22 Ca -0.11 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xpv h ALA 22 Cb 0.90 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1xpv h ALA 22 CO 0.17 -0.26 0.60 1.96 0.00 0.00 0.00 179.25 181.72 1xpv h GLN 23 N 0.30 1.09 0.00 0.00 4.20 0.50 0.43 115.11 121.63 1xpv h GLN 23 Ca 0.23 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1xpv h GLN 23 Cb 0.25 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1xpv h GLN 23 CO -0.25 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1xpv n ALA 24 N -2.36 2.49 -3.99 3.87 0.00 0.23 -4.87 120.51 115.88 1xpv n ALA 24 Ca 0.13 -0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1xpv n ALA 24 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.09 -4.50 0.02 0.00 1.74 0.15 -4.78 116.66 108.21 1xpv n ARG 25 Ca 0.19 0.51 -0.03 0.00 -0.77 0.00 0.00 57.85 57.74 1xpv n ARG 25 Cb 0.13 -5.33 -0.02 0.00 -1.02 0.00 0.00 32.46 26.22 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 0.95 -0.65 0.00 7.54 0.00 -1.56 -3.49 119.26 122.05 1xpv h ALA 26 Ca -0.57 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 26 Cb 1.37 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1xpv h ALA 26 CO 0.71 -0.67 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1xpv n GLY 27 N -1.10 0.04 3.92 0.00 0.00 -1.26 -5.11 105.19 101.68 1xpv n GLY 27 Ca -0.02 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.00 3.92 0.34 4.61 0.00 -1.26 -4.97 121.76 123.40 1xpv s ALA 28 Ca 0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 1xpv s ALA 28 Cb 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 23.12 21.45 1xpv s ALA 28 CO 0.00 0.57 0.86 -0.59 0.00 0.00 0.00 175.76 176.59 1xpv s PHE 29 N -1.72 0.12 0.06 0.00 -0.12 -1.26 -3.93 117.98 111.14 1xpv s PHE 29 Ca 0.34 -0.74 0.07 0.00 -0.05 0.00 0.00 56.93 56.55 1xpv s PHE 29 Cb -0.11 0.81 -0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1xpv s PHE 29 CO 0.28 -1.42 -0.14 -0.06 -0.05 0.00 0.00 175.22 173.83 1xpv s PHE 30 N -2.19 2.66 -0.14 3.49 0.08 -0.77 -4.92 117.98 116.20 1xpv s PHE 30 Ca 0.17 -0.19 -0.06 0.00 0.12 0.00 0.00 56.93 56.98 1xpv s PHE 30 Cb -0.04 -1.46 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1xpv s PHE 30 CO 0.10 0.35 0.06 -1.12 -0.10 0.00 0.00 175.22 174.50 1xpv s SER 31 N -1.77 5.64 -0.03 1.36 0.01 -1.26 -2.58 113.70 115.06 1xpv s SER 31 Ca 0.18 0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.65 1xpv s SER 31 Cb -0.11 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.28 1xpv s SER 31 CO 0.09 0.28 -0.17 -0.69 0.41 0.00 0.00 173.24 173.16 1xpv s VAL 32 N -0.29 1.39 -0.29 3.43 1.01 -1.11 -5.00 120.40 119.54 1xpv s VAL 32 Ca 0.08 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 1xpv s VAL 32 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1xpv s VAL 32 CO 0.02 0.40 0.16 -0.36 0.00 0.00 0.00 175.10 175.31 1xpv s PHE 33 N -0.10 3.17 -1.17 5.22 0.40 -1.26 -0.74 117.98 123.51 1xpv s PHE 33 Ca -0.00 -0.30 0.17 0.00 -0.60 0.00 0.00 56.93 56.19 1xpv s PHE 33 Cb -0.10 -2.35 0.76 0.00 0.51 0.00 0.00 43.02 41.84 1xpv s PHE 33 CO 0.01 -0.34 1.52 0.44 0.70 0.00 0.00 175.22 177.55 1xpv n ILE 34 N 5.01 0.73 -1.62 0.64 -5.35 -0.93 -4.04 119.36 113.79 1xpv n ILE 34 Ca -0.14 0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 62.11 1xpv n ILE 34 Cb 0.50 -0.90 -0.01 0.00 -1.74 0.00 0.00 39.64 37.50 1xpv n ILE 34 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xpv n ASP 35 N -1.42 5.47 0.00 7.28 2.03 -1.26 -2.95 116.55 125.69 1xpv n ASP 35 Ca 0.06 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1xpv n ASP 35 Cb 0.17 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xpv n ASP 36 N 5.21 0.00 -4.30 1.67 2.03 -1.26 -5.09 116.55 114.80 1xpv n ASP 36 Ca 0.60 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.52 1xpv n ASP 36 Cb 0.34 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.62 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 -1.05 5.50 0.48 1.67 1.01 -1.15 -4.94 116.67 118.18 1xpv s ASP 37 Ca 0.00 -1.15 0.14 0.00 0.71 0.00 0.00 52.55 52.25 1xpv s ASP 37 Cb 0.00 -1.93 1.13 0.00 1.01 0.00 0.00 42.92 43.12 1xpv s ASP 37 CO 0.00 -0.38 2.09 0.00 0.21 0.00 0.00 175.17 177.10 1xpv h ALA 38 N 8.31 1.95 -0.64 5.23 0.00 -1.99 -0.42 119.26 131.71 1xpv h ALA 38 Ca -0.24 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1xpv h ALA 38 Cb 1.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1xpv h ALA 38 CO 0.64 0.01 0.38 0.00 0.00 0.00 0.00 179.25 180.29 1xpv h ALA 39 N 1.87 0.85 -0.05 0.00 0.00 -1.93 0.77 119.26 120.77 1xpv h ALA 39 Ca 0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1xpv h ALA 39 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xpv h ALA 39 CO -0.02 0.11 -0.64 -0.07 0.00 0.00 0.00 179.25 178.63 1xpv h LEU 40 N 0.74 0.22 -0.13 0.00 3.38 -1.46 0.14 115.31 118.19 1xpv h LEU 40 Ca 0.27 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xpv h LEU 40 Cb 0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xpv h LEU 40 CO -0.13 0.80 -0.03 -0.33 0.09 0.00 0.00 178.44 178.83 1xpv h GLU 41 N 0.14 0.25 0.00 1.13 4.39 0.23 0.51 114.58 121.22 1xpv h GLU 41 Ca -0.01 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1xpv h GLU 41 Cb 1.15 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1xpv h GLU 41 CO 0.10 0.54 -0.60 1.03 -1.16 0.00 0.00 179.01 178.92 1xpv h SER 42 N -0.06 0.00 -0.10 1.42 0.87 0.53 1.20 113.55 117.40 1xpv h SER 42 Ca 0.03 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 1xpv h SER 42 Cb 0.45 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1xpv h SER 42 CO 0.01 0.60 -0.48 0.00 -0.53 0.00 0.00 176.83 176.43 1xpv h ALA 43 N 1.40 0.20 -0.21 6.23 0.00 -0.57 -3.42 119.26 122.88 1xpv h ALA 43 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xpv h ALA 43 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xpv h ALA 43 CO 0.08 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.35 1xpv n TYR 44 N -4.25 0.00 0.00 0.00 4.01 0.18 -4.91 117.16 112.19 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 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 2.23 0.34 0.07 2.72 0.00 0.41 -1.76 105.19 109.19 1xpv n GLY 45 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1xpv n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xpv n LEU 46 N 0.00 0.31 -1.87 0.99 7.99 -1.26 -4.18 117.00 118.99 1xpv n LEU 46 Ca 0.00 0.13 -0.17 0.00 -0.01 0.00 0.00 56.01 55.96 1xpv n LEU 46 Cb 0.00 0.17 0.06 0.00 -0.11 0.00 0.00 43.42 43.53 1xpv n LEU 46 CO 0.00 0.18 1.16 0.54 -1.51 0.00 0.00 177.39 177.76 1xpv n ARG 47 N -2.62 1.84 -0.18 3.23 1.74 -0.72 -4.48 116.66 115.46 1xpv n ARG 47 Ca -0.14 -1.71 -0.03 0.00 -0.77 0.00 0.00 57.85 55.20 1xpv n ARG 47 Cb 0.83 -1.67 0.07 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.91 0.00 1.55 2.07 -1.81 -3.15 116.25 116.70 1xpv h VAL 48 Ca 0.33 -0.17 -0.64 0.00 0.82 0.00 0.00 66.70 67.04 1xpv h VAL 48 Cb 1.18 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1xpv h VAL 48 CO 0.78 0.09 2.79 -0.81 0.02 0.00 0.00 177.57 180.45 1xpv n PRO 49 N -4.90 2.27 -4.48 1.57 -0.04 -1.23 -3.74 135.00 124.46 1xpv n PRO 49 Ca 0.06 -2.10 -0.33 0.00 -0.04 0.00 0.00 63.50 61.08 1xpv n PRO 49 Cb 0.17 -2.98 -0.15 0.00 -0.04 0.00 0.00 33.50 30.50 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 3.88 2.61 -0.28 0.52 1.01 -1.19 -3.72 120.40 123.24 1xpv s VAL 50 Ca 0.53 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 1xpv s VAL 50 Cb 0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1xpv s VAL 50 CO 0.01 0.51 0.52 -0.22 0.00 0.00 0.00 175.10 175.93 1xpv s LEU 51 N 0.88 4.09 0.10 3.92 0.20 -1.23 -2.68 118.68 123.97 1xpv s LEU 51 Ca -0.04 0.44 0.04 0.00 0.69 0.00 0.00 54.13 55.27 1xpv s LEU 51 Cb -0.15 -2.66 -0.04 0.00 -0.43 0.00 0.00 46.19 42.90 1xpv s LEU 51 CO -0.01 -0.33 0.03 -0.60 -0.29 0.00 0.00 176.35 175.15 1xpv s ARG 52 N 2.35 2.66 0.31 1.98 3.52 -0.33 -0.82 118.95 128.61 1xpv s ARG 52 Ca 0.21 -0.82 0.11 0.00 -0.13 0.00 0.00 55.73 55.10 1xpv s ARG 52 Cb -0.16 -2.59 -0.06 0.00 -1.56 0.00 0.00 34.95 30.59 1xpv s ARG 52 CO 0.10 0.54 -0.14 0.16 -0.81 0.00 0.00 175.30 175.15 1xpv s ASP 53 N -2.43 3.70 0.43 -2.12 -4.77 -0.84 -2.07 116.67 108.57 1xpv s ASP 53 Ca 0.27 -1.10 0.28 0.00 -3.30 0.00 0.00 52.55 48.70 1xpv s ASP 53 Cb -0.12 -0.34 0.88 0.00 -1.09 0.00 0.00 42.92 42.25 1xpv s ASP 53 CO 0.20 -0.08 1.79 1.55 0.70 0.00 0.00 175.17 179.32 1xpv h PRO 54 N 2.13 0.00 -0.51 2.11 0.13 -1.90 -3.12 132.00 130.84 1xpv h PRO 54 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 1xpv h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1xpv h PRO 54 CO 0.65 0.00 -0.16 0.52 -0.23 0.00 0.00 178.00 178.78 1xpv h MET 55 N 0.00 1.00 0.00 0.86 2.86 -1.94 -3.47 114.93 114.24 1xpv h MET 55 Ca 0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1xpv h MET 55 Cb 0.70 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1xpv h MET 55 CO 0.00 1.08 0.00 0.41 1.06 0.00 0.00 176.91 179.46 1xpv n GLY 56 N -0.21 0.95 3.23 8.32 0.00 -1.18 -4.74 105.19 111.56 1xpv n GLY 56 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 1.27 -0.01 1.61 0.52 -1.26 -4.92 118.95 116.16 1xpv s ARG 57 Ca 0.00 -1.67 -0.02 0.00 -0.52 0.00 0.00 55.73 53.52 1xpv s ARG 57 Cb 0.00 0.16 -0.00 0.00 0.52 0.00 0.00 34.95 35.63 1xpv s ARG 57 CO 0.00 -0.38 0.05 -1.21 0.02 0.00 0.00 175.30 173.78 1xpv s GLU 58 N -4.11 0.17 0.02 3.54 2.02 -1.26 -1.98 118.70 117.09 1xpv s GLU 58 Ca 0.39 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 55.26 1xpv s GLU 58 Cb 0.07 0.07 -0.04 0.00 0.10 0.00 0.00 34.13 34.33 1xpv s GLU 58 CO 0.13 -0.03 0.05 -1.17 0.02 0.00 0.00 175.26 174.26 1xpv s LEU 59 N -0.45 3.75 0.58 1.80 0.20 -0.00 -5.00 118.68 119.57 1xpv s LEU 59 Ca -0.05 0.06 -0.20 0.00 0.69 0.00 0.00 54.13 54.63 1xpv s LEU 59 Cb -0.03 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1xpv s LEU 59 CO 0.00 0.25 1.26 -0.62 -0.29 0.00 0.00 176.35 176.95 1xpv s ASP 60 N -1.83 5.17 0.11 3.68 2.15 -1.26 -3.49 116.67 121.19 1xpv s ASP 60 Ca 0.23 2.53 -0.27 0.00 0.43 0.00 0.00 52.55 55.47 1xpv s ASP 60 Cb -0.12 -2.61 -0.10 0.00 -0.30 0.00 0.00 42.92 39.79 1xpv s ASP 60 CO 0.15 -1.62 1.65 -0.25 -0.17 0.00 0.00 175.17 174.92 1xpv h TRP 61 N 1.06 -0.65 -3.18 -5.34 -0.00 -1.96 -3.38 115.95 102.49 1xpv h TRP 61 Ca -0.51 0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.83 1xpv h TRP 61 Cb 1.30 0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 30.68 1xpv h TRP 61 CO 0.46 -0.35 1.03 -1.25 -0.00 0.00 0.00 178.44 178.33 1xpv s PRO 62 N -6.07 3.74 0.05 2.65 0.04 -1.26 -4.94 135.00 129.21 1xpv s PRO 62 Ca -0.16 1.12 -0.01 0.00 0.04 0.00 0.00 61.00 62.00 1xpv s PRO 62 Cb 0.07 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1xpv s PRO 62 CO 0.65 -1.35 0.08 1.97 0.04 0.00 0.00 177.00 178.39 1xpv n PHE 63 N 8.27 -0.80 -4.15 0.56 1.16 -1.26 -5.12 117.46 116.11 1xpv n PHE 63 Ca 0.16 -0.31 -0.08 0.00 -1.87 0.00 0.00 57.45 55.36 1xpv n PHE 63 Cb 0.47 0.10 -0.02 0.00 -1.61 0.00 0.00 39.48 38.42 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 -1.70 0.96 -0.05 5.98 9.92 -1.26 -4.98 116.55 125.41 1xpv n ASP 64 Ca -0.00 -1.68 -0.14 0.00 -0.53 0.00 0.00 54.79 52.44 1xpv n ASP 64 Cb 0.08 0.33 -0.12 0.00 -0.64 0.00 0.00 41.12 40.77 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 1.22 0.00 0.00 2.24 0.00 -1.94 -1.18 119.26 119.60 1xpv h ALA 65 Ca -0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1xpv h ALA 65 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xpv h ALA 65 CO 0.15 -0.07 -0.33 -1.00 0.00 0.00 0.00 179.25 178.00 1xpv h PRO 66 N -0.85 0.00 0.06 0.00 0.13 -1.93 -0.69 132.00 128.73 1xpv h PRO 66 Ca -0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 1xpv h PRO 66 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1xpv h PRO 66 CO 0.00 0.33 -1.10 -0.09 -0.23 0.00 0.00 178.00 176.91 1xpv h ARG 67 N 0.00 0.14 0.21 0.86 2.43 -1.96 -0.48 114.38 115.58 1xpv h ARG 67 Ca -0.00 -0.23 -0.32 0.00 -0.81 0.00 0.00 59.98 58.61 1xpv h ARG 67 Cb 1.00 0.09 0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1xpv h ARG 67 CO 0.04 1.10 -1.40 1.25 -1.51 0.00 0.00 179.97 179.45 1xpv h LEU 68 N 0.04 0.86 -0.03 3.80 5.85 -1.11 -2.91 115.31 121.81 1xpv h LEU 68 Ca -0.07 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.76 1xpv h LEU 68 Cb 1.83 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1xpv h LEU 68 CO 0.16 1.67 -0.03 -0.09 -0.34 0.00 0.00 178.44 179.81 1xpv h ARG 69 N 0.19 0.08 -0.59 1.25 9.65 -1.20 -2.01 114.38 121.76 1xpv h ARG 69 Ca -0.23 -0.04 0.14 0.00 -1.10 0.00 0.00 59.98 58.75 1xpv h ARG 69 Cb 2.08 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.64 1xpv h ARG 69 CO 0.26 0.55 0.41 0.00 2.80 0.00 0.00 179.97 183.99 1xpv h ALA 70 N 0.53 2.34 -0.26 2.80 0.00 -1.20 0.54 119.26 124.01 1xpv h ALA 70 Ca 0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1xpv h ALA 70 Cb 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xpv h ALA 70 CO 0.01 -0.50 -0.55 2.35 0.00 0.00 0.00 179.25 180.56 1xpv h TRP 71 N 0.15 1.01 0.07 0.00 7.01 -1.31 0.43 115.95 123.32 1xpv h TRP 71 Ca 0.28 -0.36 -0.00 0.00 2.11 0.00 0.00 58.89 60.91 1xpv h TRP 71 Cb 0.90 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.77 1xpv h TRP 71 CO -0.00 1.17 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.72 1xpv h LEU 72 N 0.62 -0.07 -1.04 0.65 3.38 0.62 -2.87 115.31 116.59 1xpv h LEU 72 Ca 0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1xpv h LEU 72 Cb 1.15 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1xpv h LEU 72 CO 0.12 0.20 0.01 -0.78 0.09 0.00 0.00 178.44 178.08 1xpv h ASP 73 N -0.35 0.66 -1.56 -0.43 1.82 -0.43 -2.29 116.42 113.84 1xpv h ASP 73 Ca -0.01 -0.14 0.49 0.00 -0.39 0.00 0.00 57.03 56.97 1xpv h ASP 73 Cb 0.31 -0.17 -0.11 0.00 0.68 0.00 0.00 39.33 40.03 1xpv h ASP 73 CO 0.01 0.72 1.06 0.00 -1.61 0.00 0.00 179.24 179.43 1xpv h ALA 74 N 1.36 3.18 -6.36 -0.78 0.00 0.11 -3.45 119.26 113.32 1xpv h ALA 74 Ca 0.14 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1xpv h ALA 74 Cb 0.39 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xpv h ALA 74 CO 0.01 -1.78 -1.06 0.00 0.00 0.00 0.00 179.25 176.42 1xpv n ALA 75 N -2.68 -2.08 -1.53 0.00 0.00 -0.86 -4.92 120.51 108.43 1xpv n ALA 75 Ca 0.40 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1xpv n ALA 75 Cb 1.65 -1.09 0.15 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.49 0.92 -0.01 0.00 0.04 -1.26 -5.03 135.00 128.17 1xpv s PRO 76 Ca 0.14 0.21 -0.06 0.00 0.04 0.00 0.00 61.00 61.32 1xpv s PRO 76 Cb -0.01 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1xpv s PRO 76 CO 0.31 -2.33 0.49 0.45 0.04 0.00 0.00 177.00 175.96 1xpv h HIS 77 N -1.59 -0.20 0.00 0.56 3.86 -1.98 -3.51 115.15 112.29 1xpv h HIS 77 Ca -0.50 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1xpv h HIS 77 Cb 1.32 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.86 1xpv h HIS 77 CO -0.01 -0.13 0.00 0.00 0.86 0.00 0.00 177.93 178.65