#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 3.94 0.28 3.04 0.00 -1.26 -4.91 121.76 122.85 1xpv s ALA 2 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1xpv s ALA 2 Cb 0.00 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 1xpv s ALA 2 CO 0.00 0.03 0.03 1.28 0.00 0.00 0.00 175.76 177.10 1xpv n LEU 3 N -1.64 0.00 -3.53 0.00 4.77 -1.26 -4.15 117.00 111.20 1xpv n LEU 3 Ca -0.04 -1.87 -0.16 0.00 -0.03 0.00 0.00 56.01 53.91 1xpv n LEU 3 Cb 0.57 0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 41.90 1xpv n LEU 3 CO 0.45 -0.27 -0.17 -0.89 -1.33 0.00 0.00 177.39 175.18 1xpv s THR 4 N -2.22 -0.38 -0.39 -5.08 2.01 -0.94 -1.42 115.64 107.20 1xpv s THR 4 Ca 0.05 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1xpv s THR 4 Cb 0.00 -0.62 0.08 0.00 0.01 0.00 0.00 72.50 71.97 1xpv s THR 4 CO 0.03 -0.09 0.20 -0.22 -0.69 0.00 0.00 174.62 173.85 1xpv s LEU 5 N 2.38 4.93 0.31 4.42 2.96 -1.15 -1.87 118.68 130.66 1xpv s LEU 5 Ca 0.06 -1.56 -0.29 0.00 -0.22 0.00 0.00 54.13 52.12 1xpv s LEU 5 Cb -0.15 -1.90 -0.11 0.00 0.50 0.00 0.00 46.19 44.54 1xpv s LEU 5 CO -0.11 -0.48 1.43 -0.31 -1.32 0.00 0.00 176.35 175.56 1xpv s TYR 6 N 1.33 2.88 -0.27 5.38 2.02 -1.11 -3.59 117.35 123.99 1xpv s TYR 6 Ca 0.03 1.15 -0.26 0.00 -0.37 0.00 0.00 57.07 57.61 1xpv s TYR 6 Cb -0.22 -3.86 0.17 0.00 -0.40 0.00 0.00 41.96 37.64 1xpv s TYR 6 CO 0.00 -2.63 1.27 1.14 -1.57 0.00 0.00 175.55 173.76 1xpv s GLN 7 N -1.26 0.24 -0.07 -0.62 1.03 0.56 -3.88 119.66 115.66 1xpv s GLN 7 Ca 0.55 0.21 -0.00 0.00 0.04 0.00 0.00 55.36 56.16 1xpv s GLN 7 Cb -0.43 0.12 0.02 0.00 0.03 0.00 0.00 33.01 32.75 1xpv s GLN 7 CO 0.52 -0.04 -0.03 -0.98 -2.54 0.00 0.00 175.29 172.21 1xpv s ARG 8 N -0.24 0.89 0.31 9.60 1.70 -1.26 -3.66 118.95 126.29 1xpv s ARG 8 Ca 0.05 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1xpv s ARG 8 Cb -0.04 -1.05 0.00 0.00 -0.57 0.00 0.00 34.95 33.29 1xpv s ARG 8 CO -0.10 -0.21 0.00 -3.47 -1.08 0.00 0.00 175.30 170.45 1xpv n ASP 9 N 4.67 -8.13 -4.63 -2.89 2.03 -1.26 -4.67 116.55 101.67 1xpv n ASP 9 Ca -0.15 1.11 -0.60 0.00 0.52 0.00 0.00 54.79 55.66 1xpv n ASP 9 Cb 0.50 -3.98 -0.09 0.00 -0.72 0.00 0.00 41.12 36.84 1xpv n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xpv n ASP 10 N 0.36 1.77 -4.35 1.67 2.03 -1.26 -4.92 116.55 111.85 1xpv n ASP 10 Ca 0.00 0.98 -0.18 0.00 0.52 0.00 0.00 54.79 56.11 1xpv n ASP 10 Cb 0.00 -1.04 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 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 2.47 -0.07 -0.97 0.00 3.86 -1.98 -1.35 115.15 117.12 1xpv h HIS 12 Ca -0.38 -0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.11 1xpv h HIS 12 Cb 1.22 0.02 -0.14 0.00 1.06 0.00 0.00 27.41 29.57 1xpv h HIS 12 CO 0.64 0.23 0.49 1.25 0.86 0.00 0.00 177.93 181.41 1xpv h LEU 13 N -1.00 0.42 -0.33 2.43 5.85 -1.99 1.56 115.31 122.26 1xpv h LEU 13 Ca -0.01 0.18 -0.19 0.00 0.84 0.00 0.00 57.88 58.71 1xpv h LEU 13 Cb 0.32 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1xpv h LEU 13 CO 0.01 -0.10 -0.64 0.00 -0.34 0.00 0.00 178.44 177.38 1xpv h ASP 15 N 0.52 -0.31 -0.07 0.00 3.58 0.32 0.48 116.42 120.94 1xpv h ASP 15 Ca -0.01 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1xpv h ASP 15 Cb 1.23 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.42 1xpv h ASP 15 CO 0.13 -0.15 0.06 1.56 -2.88 0.00 0.00 179.24 177.96 1xpv h GLN 16 N -0.15 0.00 0.02 0.28 4.20 -0.21 -1.33 115.11 117.92 1xpv h GLN 16 Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1xpv h GLN 16 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1xpv h GLN 16 CO -0.14 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.01 1xpv h ALA 17 N 1.95 -0.03 -0.68 3.87 0.00 -0.63 -2.62 119.26 121.11 1xpv h ALA 17 Ca 0.03 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xpv h ALA 17 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1xpv h ALA 17 CO -0.00 -0.27 0.45 0.28 0.00 0.00 0.00 179.25 179.70 1xpv h VAL 18 N -0.51 0.93 0.10 0.00 2.07 -0.10 -1.15 116.25 117.59 1xpv h VAL 18 Ca -0.00 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1xpv h VAL 18 Cb 0.48 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1xpv h VAL 18 CO 0.00 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 177.55 1xpv h GLU 19 N 0.56 -0.16 -0.98 1.57 4.22 -1.12 0.85 114.58 119.52 1xpv h GLU 19 Ca 0.31 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.80 1xpv h GLU 19 Cb 0.46 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1xpv h GLU 19 CO -0.10 -0.11 0.64 0.00 -2.18 0.00 0.00 179.01 177.27 1xpv h ALA 20 N 0.73 1.37 0.27 2.92 0.00 -0.90 0.65 119.26 124.30 1xpv h ALA 20 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xpv h ALA 20 Cb 0.14 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xpv h ALA 20 CO 0.01 0.52 -0.14 -0.07 0.00 0.00 0.00 179.25 179.56 1xpv h LEU 21 N 1.23 -0.35 -0.39 0.00 3.38 -0.64 0.57 115.31 119.10 1xpv h LEU 21 Ca 0.40 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1xpv h LEU 21 Cb 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xpv h LEU 21 CO -0.13 -0.24 0.22 0.00 0.09 0.00 0.00 178.44 178.38 1xpv h ALA 22 N 0.35 0.50 -0.99 1.53 0.00 -0.19 0.13 119.26 120.59 1xpv h ALA 22 Ca -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xpv h ALA 22 Cb 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1xpv h ALA 22 CO 0.04 0.03 0.64 1.96 0.00 0.00 0.00 179.25 181.92 1xpv h GLN 23 N 0.51 1.14 0.00 0.00 4.20 0.60 0.33 115.11 121.88 1xpv h GLN 23 Ca 0.14 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xpv h GLN 23 Cb 0.06 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1xpv h GLN 23 CO -0.02 0.75 0.00 0.00 -0.67 0.00 0.00 178.83 178.89 1xpv n ALA 24 N -2.36 2.11 -3.55 3.87 0.00 0.20 -4.90 120.51 115.88 1xpv n ALA 24 Ca 0.15 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1xpv n ALA 24 Cb 0.16 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.90 -7.64 0.14 0.00 5.12 0.11 -4.80 116.66 107.69 1xpv n ARG 25 Ca 0.05 0.79 -0.16 0.00 -1.93 0.00 0.00 57.85 56.61 1xpv n ARG 25 Cb 0.33 -5.74 -0.09 0.00 -1.16 0.00 0.00 32.46 25.81 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 0.97 -0.90 0.00 7.54 0.00 -1.52 -3.49 119.26 121.87 1xpv h ALA 26 Ca -0.54 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1xpv h ALA 26 Cb 1.35 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1xpv h ALA 26 CO 0.53 -1.07 0.00 0.41 0.00 0.00 0.00 179.25 179.13 1xpv n GLY 27 N -1.49 0.38 3.94 0.00 0.00 -1.26 -5.08 105.19 101.69 1xpv n GLY 27 Ca -0.08 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.28 3.95 0.37 4.61 0.00 -1.26 -4.99 121.76 123.16 1xpv s ALA 28 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1xpv s ALA 28 Cb 0.00 -1.81 0.04 0.00 0.00 0.00 0.00 23.12 21.35 1xpv s ALA 28 CO 0.00 0.52 0.73 -0.59 0.00 0.00 0.00 175.76 176.42 1xpv s PHE 29 N -1.76 0.26 -0.15 0.00 -0.12 -1.26 -4.04 117.98 110.91 1xpv s PHE 29 Ca 0.35 -0.85 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 1xpv s PHE 29 Cb -0.11 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1xpv s PHE 29 CO 0.29 -1.48 -0.05 -0.06 -0.05 0.00 0.00 175.22 173.86 1xpv s PHE 30 N -2.52 3.00 -0.16 3.49 0.08 -0.51 -4.93 117.98 116.43 1xpv s PHE 30 Ca 0.18 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.69 1xpv s PHE 30 Cb -0.04 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1xpv s PHE 30 CO 0.13 -0.04 0.62 -1.54 -0.10 0.00 0.00 175.22 174.29 1xpv s SER 31 N 0.31 6.74 -0.07 1.36 1.04 -1.26 -2.96 113.70 118.86 1xpv s SER 31 Ca -0.05 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.33 1xpv s SER 31 Cb -0.14 -2.35 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 1xpv s SER 31 CO 0.03 -0.21 -0.24 -0.69 0.98 0.00 0.00 173.24 173.11 1xpv s VAL 32 N 1.55 2.12 -0.24 5.02 1.01 -1.24 -5.01 120.40 123.62 1xpv s VAL 32 Ca 0.30 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1xpv s VAL 32 Cb -0.16 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1xpv s VAL 32 CO 0.12 0.57 0.14 -0.36 0.00 0.00 0.00 175.10 175.56 1xpv s PHE 33 N -0.07 3.28 -0.52 5.22 0.08 -1.24 -0.32 117.98 124.41 1xpv s PHE 33 Ca -0.06 0.14 0.25 0.00 0.12 0.00 0.00 56.93 57.38 1xpv s PHE 33 Cb -0.15 -2.25 0.66 0.00 -0.57 0.00 0.00 43.02 40.72 1xpv s PHE 33 CO 0.05 0.02 1.72 -0.84 -0.10 0.00 0.00 175.22 176.06 1xpv h ILE 34 N 5.08 0.00 -3.32 0.64 3.07 -1.92 -3.44 117.51 117.61 1xpv h ILE 34 Ca -0.38 -0.69 -0.57 0.00 1.55 0.00 0.00 64.86 64.77 1xpv h ILE 34 Cb 1.17 1.67 0.15 0.00 -0.27 0.00 0.00 36.82 39.54 1xpv h ILE 34 CO 0.65 0.00 0.14 -0.90 -1.05 0.00 0.00 178.15 176.99 1xpv n ASP 35 N -2.70 1.03 0.00 2.16 5.75 -1.26 -1.92 116.55 119.60 1xpv n ASP 35 Ca 0.04 0.92 0.00 0.00 -0.01 0.00 0.00 54.79 55.75 1xpv n ASP 35 Cb 0.45 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 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 -0.05 0.00 -4.55 -1.12 2.03 -1.26 -4.87 116.55 106.72 1xpv n ASP 36 Ca 0.11 0.00 -0.37 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 5.25 0.29 1.67 1.11 -0.81 -4.79 116.67 119.39 1xpv s ASP 37 Ca 0.00 0.22 0.01 0.00 0.18 0.00 0.00 52.55 52.96 1xpv s ASP 37 Cb 0.00 -2.53 0.43 0.00 1.07 0.00 0.00 42.92 41.88 1xpv s ASP 37 CO 0.00 -2.42 1.78 0.00 1.18 0.00 0.00 175.17 175.71 1xpv h ALA 38 N 14.54 1.17 -0.04 5.23 0.00 -1.90 0.12 119.26 138.38 1xpv h ALA 38 Ca -0.22 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1xpv h ALA 38 Cb 1.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1xpv h ALA 38 CO 1.22 0.53 -0.04 0.00 0.00 0.00 0.00 179.25 180.96 1xpv h ALA 39 N 1.34 0.00 -0.33 0.00 0.00 -1.92 0.72 119.26 119.07 1xpv h ALA 39 Ca 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1xpv h ALA 39 Cb 0.48 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xpv h ALA 39 CO 0.03 -0.52 -0.21 -0.07 0.00 0.00 0.00 179.25 178.48 1xpv h LEU 40 N -0.04 0.63 -0.23 0.00 3.38 -1.79 0.15 115.31 117.41 1xpv h LEU 40 Ca 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1xpv h LEU 40 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xpv h LEU 40 CO -0.07 0.84 0.09 -0.33 0.09 0.00 0.00 178.44 179.06 1xpv h GLU 41 N 0.56 0.34 -0.03 1.13 4.39 -0.00 0.49 114.58 121.45 1xpv h GLU 41 Ca 0.08 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1xpv h GLU 41 Cb 0.66 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1xpv h GLU 41 CO 0.05 0.38 -0.50 1.03 -1.16 0.00 0.00 179.01 178.81 1xpv h SER 42 N 0.22 0.10 -0.18 1.42 0.87 0.62 1.48 113.55 118.08 1xpv h SER 42 Ca 0.08 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 1xpv h SER 42 Cb 0.17 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1xpv h SER 42 CO -0.01 0.59 -0.24 0.00 -0.53 0.00 0.00 176.83 176.64 1xpv h ALA 43 N 1.42 0.27 -0.34 6.23 0.00 -0.30 -3.42 119.26 123.11 1xpv h ALA 43 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xpv h ALA 43 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xpv h ALA 43 CO 0.07 0.23 0.00 0.66 0.00 0.00 0.00 179.25 180.21 1xpv n TYR 44 N -4.42 0.00 0.00 0.00 4.01 0.17 -4.92 117.16 112.00 1xpv n TYR 44 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1xpv n TYR 44 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 2.40 0.47 0.10 2.72 0.00 0.51 -1.61 105.19 109.77 1xpv n GLY 45 Ca 0.00 0.56 -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 -3.46 0.99 -0.00 -1.93 -3.29 115.31 107.61 1xpv h LEU 46 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.51 1xpv h LEU 46 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 40.48 1xpv h LEU 46 CO 0.00 0.72 0.48 0.54 -0.00 0.00 0.00 178.44 180.18 1xpv n ARG 47 N -3.10 1.92 -0.09 1.13 3.00 -0.63 -4.53 116.66 114.36 1xpv n ARG 47 Ca -0.06 -1.91 -0.06 0.00 -0.01 0.00 0.00 57.85 55.81 1xpv n ARG 47 Cb 0.87 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 31.59 1xpv n ARG 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xpv h VAL 48 N 0.87 0.70 -0.20 1.55 2.07 -1.80 -3.17 116.25 116.26 1xpv h VAL 48 Ca 0.37 -0.01 -0.63 0.00 0.82 0.00 0.00 66.70 67.25 1xpv h VAL 48 Cb 1.29 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1xpv h VAL 48 CO 0.86 0.00 2.38 -0.81 0.02 0.00 0.00 177.57 180.02 1xpv n PRO 49 N -5.24 2.22 -4.71 1.57 -0.04 -1.25 -4.09 135.00 123.45 1xpv n PRO 49 Ca 0.01 -2.41 -0.33 0.00 -0.04 0.00 0.00 63.50 60.73 1xpv n PRO 49 Cb 0.18 -3.25 -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 5.20 2.34 -0.29 0.52 1.01 -1.20 -4.07 120.40 123.91 1xpv s VAL 50 Ca 0.55 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1xpv s VAL 50 Cb 0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1xpv s VAL 50 CO 0.05 0.54 0.40 -0.22 0.00 0.00 0.00 175.10 175.86 1xpv s LEU 51 N 0.71 4.12 0.28 3.92 0.20 -1.23 -2.76 118.68 123.93 1xpv s LEU 51 Ca -0.09 0.21 0.12 0.00 0.69 0.00 0.00 54.13 55.06 1xpv s LEU 51 Cb -0.16 -2.45 -0.05 0.00 -0.43 0.00 0.00 46.19 43.10 1xpv s LEU 51 CO 0.01 -0.24 -0.17 0.00 -0.29 0.00 0.00 176.35 175.66 1xpv s ARG 52 N 2.12 1.76 0.40 1.98 1.70 -0.78 0.74 118.95 126.87 1xpv s ARG 52 Ca 0.15 -1.74 0.05 0.00 -0.47 0.00 0.00 55.73 53.73 1xpv s ARG 52 Cb -0.16 -1.81 -0.07 0.00 -0.57 0.00 0.00 34.95 32.35 1xpv s ARG 52 CO 0.10 0.32 0.03 0.16 -1.08 0.00 0.00 175.30 174.83 1xpv s ASP 53 N -3.54 3.51 0.37 -2.89 1.47 -0.49 -2.22 116.67 112.88 1xpv s ASP 53 Ca 0.30 -1.42 0.20 0.00 1.18 0.00 0.00 52.55 52.81 1xpv s ASP 53 Cb -0.05 -0.17 0.56 0.00 -0.34 0.00 0.00 42.92 42.92 1xpv s ASP 53 CO 0.16 -0.56 1.67 1.55 0.68 0.00 0.00 175.17 178.67 1xpv h PRO 54 N 1.80 0.00 -0.90 2.11 0.13 -1.90 -3.17 132.00 130.07 1xpv h PRO 54 Ca -0.43 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1xpv h PRO 54 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1xpv h PRO 54 CO 0.76 0.34 0.59 0.52 -0.23 0.00 0.00 178.00 179.98 1xpv h MET 55 N 0.00 1.19 0.00 0.86 2.86 -1.93 -3.46 114.93 114.45 1xpv h MET 55 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xpv h MET 55 Cb 1.00 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1xpv h MET 55 CO 0.04 0.80 0.00 0.41 1.06 0.00 0.00 176.91 179.22 1xpv n GLY 56 N -1.33 0.91 3.33 8.32 0.00 -1.20 -5.16 105.19 110.06 1xpv n GLY 56 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 1.57 0.11 1.61 0.52 -1.26 -5.00 118.95 116.50 1xpv s ARG 57 Ca 0.00 -1.74 -0.07 0.00 -0.52 0.00 0.00 55.73 53.40 1xpv s ARG 57 Cb 0.00 0.35 -0.01 0.00 0.52 0.00 0.00 34.95 35.80 1xpv s ARG 57 CO 0.00 -0.58 0.18 -1.83 0.02 0.00 0.00 175.30 173.09 1xpv s GLU 58 N -3.69 0.93 0.04 3.54 -1.05 -1.26 -1.40 118.70 115.82 1xpv s GLU 58 Ca 0.36 -1.11 0.08 0.00 -0.15 0.00 0.00 54.97 54.16 1xpv s GLU 58 Cb 0.03 0.33 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1xpv s GLU 58 CO 0.19 -0.30 -0.24 -1.17 0.95 0.00 0.00 175.26 174.69 1xpv s LEU 59 N -2.92 2.17 0.50 1.83 2.96 0.23 -4.97 118.68 118.47 1xpv s LEU 59 Ca 0.11 -0.56 -0.22 0.00 -0.22 0.00 0.00 54.13 53.24 1xpv s LEU 59 Cb 0.05 -1.15 -0.07 0.00 0.50 0.00 0.00 46.19 45.51 1xpv s LEU 59 CO -0.06 0.22 1.14 -0.90 -1.32 0.00 0.00 176.35 175.43 1xpv n ASP 60 N 1.82 1.77 0.24 3.68 5.68 -1.26 -3.48 116.55 125.00 1xpv n ASP 60 Ca -0.17 0.98 -0.17 0.00 -0.50 0.00 0.00 54.79 54.93 1xpv n ASP 60 Cb 0.52 -1.45 -0.09 0.00 -1.14 0.00 0.00 41.12 38.97 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 1xpv h TRP 61 N 1.36 -1.24 -3.25 2.11 -0.00 -1.98 -3.38 115.95 109.57 1xpv h TRP 61 Ca -0.48 0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.86 1xpv h TRP 61 Cb 1.33 0.49 -0.05 0.00 -0.00 0.00 0.00 29.16 30.93 1xpv h TRP 61 CO 0.43 -0.60 1.06 -1.25 -0.00 0.00 0.00 178.44 178.08 1xpv s PRO 62 N -5.92 3.63 0.04 2.65 0.04 -1.26 -4.94 135.00 129.25 1xpv s PRO 62 Ca -0.17 1.00 -0.00 0.00 0.04 0.00 0.00 61.00 61.86 1xpv s PRO 62 Cb 0.05 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1xpv s PRO 62 CO 0.62 -1.49 0.06 1.97 0.04 0.00 0.00 177.00 178.20 1xpv n PHE 63 N 8.62 -0.52 -4.26 0.56 1.16 -1.26 -5.13 117.46 116.64 1xpv n PHE 63 Ca 0.16 -0.30 -0.12 0.00 -1.87 0.00 0.00 57.45 55.32 1xpv n PHE 63 Cb 0.48 0.07 -0.03 0.00 -1.61 0.00 0.00 39.48 38.38 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 -2.14 1.46 -0.04 5.98 8.00 -1.26 -4.98 116.55 123.57 1xpv n ASP 64 Ca 0.00 -2.00 -0.14 0.00 0.71 0.00 0.00 54.79 53.36 1xpv n ASP 64 Cb 0.07 0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.45 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 1.26 0.01 0.00 2.24 0.00 -1.93 -0.48 119.26 120.35 1xpv h ALA 65 Ca -0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1xpv h ALA 65 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xpv h ALA 65 CO 0.25 -0.05 -0.12 -1.00 0.00 0.00 0.00 179.25 178.33 1xpv h PRO 66 N -0.75 0.00 0.07 0.00 0.13 -1.93 -0.27 132.00 129.25 1xpv h PRO 66 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1xpv h PRO 66 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1xpv h PRO 66 CO 0.01 0.12 -1.36 -0.09 -0.23 0.00 0.00 178.00 176.45 1xpv h ARG 67 N 0.00 0.15 0.20 0.86 2.43 -1.96 -2.00 114.38 114.06 1xpv h ARG 67 Ca -0.00 -0.26 -0.32 0.00 -0.81 0.00 0.00 59.98 58.59 1xpv h ARG 67 Cb 0.84 0.10 0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1xpv h ARG 67 CO 0.02 1.02 -1.38 1.25 -1.51 0.00 0.00 179.97 179.36 1xpv h LEU 68 N 0.04 0.80 -0.06 3.80 5.85 -0.98 -2.87 115.31 121.89 1xpv h LEU 68 Ca -0.16 -0.82 -0.02 0.00 0.84 0.00 0.00 57.88 57.72 1xpv h LEU 68 Cb 1.94 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 1xpv h LEU 68 CO 0.15 1.63 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.77 1xpv h ARG 69 N 0.18 0.13 -0.37 1.25 9.65 -1.15 -0.50 114.38 123.56 1xpv h ARG 69 Ca -0.22 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1xpv h ARG 69 Cb 2.07 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.63 1xpv h ARG 69 CO 0.26 0.49 0.26 0.00 2.80 0.00 0.00 179.97 183.78 1xpv h ALA 70 N 0.64 2.20 -0.04 2.80 0.00 -1.47 0.31 119.26 123.70 1xpv h ALA 70 Ca 0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1xpv h ALA 70 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xpv h ALA 70 CO 0.01 -0.30 -0.86 2.35 0.00 0.00 0.00 179.25 180.45 1xpv h TRP 71 N 0.12 0.69 -0.55 0.00 7.01 -1.25 -2.68 115.95 119.29 1xpv h TRP 71 Ca 0.17 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 60.84 1xpv h TRP 71 Cb 0.54 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 1xpv h TRP 71 CO -0.00 1.15 0.36 -0.07 -2.79 0.00 0.00 178.44 177.09 1xpv h LEU 72 N 0.30 0.63 0.00 0.65 3.38 0.12 0.21 115.31 120.61 1xpv h LEU 72 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xpv h LEU 72 Cb 1.48 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1xpv h LEU 72 CO 0.15 0.46 0.00 0.47 0.09 0.00 0.00 178.44 179.61 1xpv n ASP 73 N -4.70 0.00 0.04 -0.43 9.92 -0.25 -1.45 116.55 119.67 1xpv n ASP 73 Ca 0.03 0.36 0.11 0.00 -0.53 0.00 0.00 54.79 54.76 1xpv n ASP 73 Cb 0.02 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.03 1xpv n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xpv n ALA 74 N -1.43 3.06 -0.04 2.24 0.00 0.56 -4.22 120.51 120.68 1xpv n ALA 74 Ca 0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 1xpv n ALA 74 Cb 0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 2.27 -0.00 -3.32 0.00 0.00 0.12 -3.42 119.26 114.91 1xpv h ALA 75 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1xpv h ALA 75 Cb 0.86 0.34 0.09 0.00 0.00 0.00 0.00 17.79 19.09 1xpv h ALA 75 CO 0.00 -0.58 0.14 -0.35 0.00 0.00 0.00 179.25 178.46 1xpv n PRO 76 N -5.31 -1.34 -0.01 0.00 -0.04 -1.26 -4.90 135.00 122.14 1xpv n PRO 76 Ca -0.01 -0.95 -0.03 0.00 -0.04 0.00 0.00 63.50 62.47 1xpv n PRO 76 Cb 0.23 -0.74 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 1xpv n PRO 76 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1xpv n HIS 77 N -3.29 0.00 -0.37 0.54 -0.00 -1.26 -5.05 115.22 105.79 1xpv n HIS 77 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1xpv n HIS 77 Cb 0.29 -0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80