#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 3.61 0.42 3.04 0.00 -1.25 -4.60 121.76 122.98 1xpv s ALA 2 Ca 0.00 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1xpv s ALA 2 Cb 0.00 -3.64 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1xpv s ALA 2 CO 0.00 -1.06 0.27 1.28 0.00 0.00 0.00 175.76 176.26 1xpv n LEU 3 N 5.88 0.00 -3.70 0.00 4.77 -1.24 -4.52 117.00 118.19 1xpv n LEU 3 Ca 0.14 -2.24 -0.27 0.00 -0.03 0.00 0.00 56.01 53.61 1xpv n LEU 3 Cb 0.43 0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.37 1xpv n LEU 3 CO 0.59 -0.49 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.92 1xpv s THR 4 N -2.14 0.35 -0.40 -5.08 2.01 0.24 -0.21 115.64 110.40 1xpv s THR 4 Ca 0.21 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1xpv s THR 4 Cb -0.02 -0.92 0.10 0.00 0.01 0.00 0.00 72.50 71.67 1xpv s THR 4 CO 0.13 -0.25 0.20 -0.22 -0.69 0.00 0.00 174.62 173.79 1xpv s LEU 5 N 1.94 5.10 0.26 4.42 2.96 -1.15 0.18 118.68 132.39 1xpv s LEU 5 Ca 0.00 -1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 51.79 1xpv s LEU 5 Cb -0.17 -1.86 -0.11 0.00 0.50 0.00 0.00 46.19 44.55 1xpv s LEU 5 CO -0.09 -0.52 1.54 -0.31 -1.32 0.00 0.00 176.35 175.64 1xpv s TYR 6 N 1.23 2.90 -0.14 5.38 2.02 -0.61 -3.80 117.35 124.34 1xpv s TYR 6 Ca 0.05 0.83 -0.30 0.00 -0.37 0.00 0.00 57.07 57.29 1xpv s TYR 6 Cb -0.23 -3.96 0.11 0.00 -0.40 0.00 0.00 41.96 37.48 1xpv s TYR 6 CO -0.02 -3.25 0.90 1.14 -1.57 0.00 0.00 175.55 172.74 1xpv s GLN 7 N -0.16 0.73 -0.14 -0.62 -2.07 -0.33 -3.46 119.66 113.61 1xpv s GLN 7 Ca 0.63 0.24 -0.02 0.00 -1.82 0.00 0.00 55.36 54.39 1xpv s GLN 7 Cb -0.45 0.35 0.04 0.00 -1.09 0.00 0.00 33.01 31.86 1xpv s GLN 7 CO 0.43 -0.22 -0.00 0.50 -1.32 0.00 0.00 175.29 174.69 1xpv s ARG 8 N -0.98 0.86 0.23 9.60 3.00 -1.26 -3.78 118.95 126.61 1xpv s ARG 8 Ca -0.04 -0.26 0.00 0.00 -1.00 0.00 0.00 55.73 54.43 1xpv s ARG 8 Cb -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 34.95 33.26 1xpv s ARG 8 CO 0.03 -0.46 0.00 -3.47 0.00 0.00 0.00 175.30 171.40 1xpv n ASP 9 N 5.04 -8.87 -4.27 -2.12 -0.08 -1.26 -4.57 116.55 100.41 1xpv n ASP 9 Ca -0.09 1.34 -0.58 0.00 -1.51 0.00 0.00 54.79 53.95 1xpv n ASP 9 Cb 0.48 -4.97 -0.12 0.00 2.34 0.00 0.00 41.12 38.85 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 1.67 0.76 -4.34 1.67 -0.08 -1.26 -4.89 116.55 110.09 1xpv n ASP 10 Ca 0.00 0.64 -0.22 0.00 -1.51 0.00 0.00 54.79 53.69 1xpv n ASP 10 Cb 0.00 -0.91 -0.11 0.00 2.34 0.00 0.00 41.12 42.43 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 3.24 0.90 -0.86 0.00 2.76 -1.98 0.67 115.15 119.89 1xpv h HIS 12 Ca -0.43 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1xpv h HIS 12 Cb 1.21 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.84 1xpv h HIS 12 CO 0.68 0.67 0.51 1.25 -1.30 0.00 0.00 177.93 179.74 1xpv h LEU 13 N 0.91 1.03 -0.07 0.26 5.85 -1.97 0.79 115.31 122.12 1xpv h LEU 13 Ca 0.22 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 1xpv h LEU 13 Cb 0.11 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.88 1xpv h LEU 13 CO -0.03 0.80 -0.61 0.00 -0.34 0.00 0.00 178.44 178.26 1xpv h ASP 15 N 0.12 0.07 0.12 0.00 5.19 0.80 0.78 116.42 123.51 1xpv h ASP 15 Ca -0.06 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1xpv h ASP 15 Cb 1.28 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.93 1xpv h ASP 15 CO 0.12 0.02 -0.06 1.56 -3.12 0.00 0.00 179.24 177.77 1xpv h GLN 16 N 0.31 0.00 -0.05 3.56 4.20 -0.84 -0.88 115.11 121.41 1xpv h GLN 16 Ca 0.36 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.02 1xpv h GLN 16 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1xpv h GLN 16 CO -0.43 0.06 -0.18 0.00 -0.67 0.00 0.00 178.83 177.61 1xpv h ALA 17 N 1.94 0.09 -0.79 3.87 0.00 0.61 -2.75 119.26 122.23 1xpv h ALA 17 Ca -0.00 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1xpv h ALA 17 Cb 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1xpv h ALA 17 CO 0.01 0.04 0.52 0.28 0.00 0.00 0.00 179.25 180.10 1xpv h VAL 18 N -0.33 1.17 -0.07 0.00 2.07 -0.31 -0.94 116.25 117.84 1xpv h VAL 18 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1xpv h VAL 18 Cb 0.82 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1xpv h VAL 18 CO 0.04 0.19 -0.06 -0.08 0.02 0.00 0.00 177.57 177.68 1xpv h GLU 19 N 1.04 -0.06 -0.84 1.57 4.81 -1.15 0.43 114.58 120.38 1xpv h GLU 19 Ca 0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1xpv h GLU 19 Cb -0.06 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1xpv h GLU 19 CO -0.07 -0.04 0.53 0.00 -0.73 0.00 0.00 179.01 178.69 1xpv h ALA 20 N 1.00 1.34 0.66 2.92 0.00 -1.10 0.39 119.26 124.47 1xpv h ALA 20 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xpv h ALA 20 Cb 0.14 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xpv h ALA 20 CO -0.11 0.58 -0.32 -0.07 0.00 0.00 0.00 179.25 179.33 1xpv h LEU 21 N 1.15 -0.75 -0.47 0.00 3.38 -0.28 0.40 115.31 118.75 1xpv h LEU 21 Ca 0.30 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.34 1xpv h LEU 21 Cb -0.08 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1xpv h LEU 21 CO -0.06 -0.46 0.13 0.00 0.09 0.00 0.00 178.44 178.15 1xpv h ALA 22 N -0.76 0.55 -1.01 1.53 0.00 0.11 0.13 119.26 119.82 1xpv h ALA 22 Ca -0.09 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xpv h ALA 22 Cb 0.71 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1xpv h ALA 22 CO 0.15 -0.27 0.66 1.96 0.00 0.00 0.00 179.25 181.75 1xpv h GLN 23 N 0.29 1.23 0.00 0.00 4.20 -0.10 0.37 115.11 121.10 1xpv h GLN 23 Ca 0.23 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xpv h GLN 23 Cb 0.27 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1xpv h GLN 23 CO -0.26 0.82 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 1xpv n ALA 24 N -2.37 2.58 -4.11 3.87 0.00 0.14 -4.87 120.51 115.75 1xpv n ALA 24 Ca 0.14 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1xpv n ALA 24 Cb 0.10 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.02 -4.07 0.09 0.00 5.12 0.13 -4.80 116.66 112.11 1xpv n ARG 25 Ca 0.21 0.46 -0.14 0.00 -1.93 0.00 0.00 57.85 56.45 1xpv n ARG 25 Cb 0.11 -5.25 -0.07 0.00 -1.16 0.00 0.00 32.46 26.08 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 0.94 -0.74 0.00 7.54 0.00 -1.56 -3.49 119.26 121.95 1xpv h ALA 26 Ca -0.59 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1xpv h ALA 26 Cb 1.38 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1xpv h ALA 26 CO 0.74 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1xpv n GLY 27 N -1.46 0.20 3.92 0.00 0.00 -1.26 -5.03 105.19 101.56 1xpv n GLY 27 Ca -0.07 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.60 3.70 0.33 4.61 0.00 -1.26 -4.99 121.76 122.55 1xpv s ALA 28 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1xpv s ALA 28 Cb 0.00 -2.17 0.06 0.00 0.00 0.00 0.00 23.12 21.01 1xpv s ALA 28 CO 0.00 0.30 0.87 -0.59 0.00 0.00 0.00 175.76 176.34 1xpv s PHE 29 N -2.02 0.11 -0.05 0.00 -0.12 -1.26 -3.64 117.98 111.00 1xpv s PHE 29 Ca 0.42 -0.71 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1xpv s PHE 29 Cb -0.11 0.80 -0.03 0.00 -0.63 0.00 0.00 43.02 43.06 1xpv s PHE 29 CO 0.30 -1.38 -0.09 -0.06 -0.05 0.00 0.00 175.22 173.94 1xpv s PHE 30 N -2.21 2.87 -0.10 3.49 0.08 0.70 -4.84 117.98 117.98 1xpv s PHE 30 Ca 0.18 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 57.11 1xpv s PHE 30 Cb -0.04 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 1xpv s PHE 30 CO 0.10 0.31 0.19 -1.12 -0.10 0.00 0.00 175.22 174.59 1xpv s SER 31 N -0.91 6.47 -0.04 1.36 0.01 -1.26 -2.94 113.70 116.39 1xpv s SER 31 Ca 0.13 0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.98 1xpv s SER 31 Cb -0.11 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1xpv s SER 31 CO 0.02 0.39 -0.11 -0.69 0.41 0.00 0.00 173.24 173.26 1xpv s VAL 32 N -1.02 1.01 -0.29 3.43 1.01 -1.25 -5.00 120.40 118.28 1xpv s VAL 32 Ca 0.17 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1xpv s VAL 32 Cb -0.13 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1xpv s VAL 32 CO 0.06 0.31 0.23 -0.36 0.00 0.00 0.00 175.10 175.33 1xpv s PHE 33 N 0.31 3.22 -0.64 5.22 0.08 -1.25 -1.18 117.98 123.75 1xpv s PHE 33 Ca -0.07 0.08 0.22 0.00 0.12 0.00 0.00 56.93 57.28 1xpv s PHE 33 Cb -0.11 -2.43 0.90 0.00 -0.57 0.00 0.00 43.02 40.80 1xpv s PHE 33 CO 0.02 -0.22 1.67 0.44 -0.10 0.00 0.00 175.22 177.03 1xpv n ILE 34 N 5.08 0.81 -0.78 0.64 -5.35 -1.26 -4.81 119.36 113.70 1xpv n ILE 34 Ca -0.13 0.17 -0.34 0.00 -0.27 0.00 0.00 62.75 62.18 1xpv n ILE 34 Cb 0.51 -1.04 0.13 0.00 -1.74 0.00 0.00 39.64 37.50 1xpv n ILE 34 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1xpv n ASP 35 N -2.06 -2.67 -4.11 7.28 5.68 -1.26 -2.83 116.55 116.59 1xpv n ASP 35 Ca 0.03 0.08 -0.30 0.00 -0.50 0.00 0.00 54.79 54.10 1xpv n ASP 35 Cb 0.24 -0.98 -0.05 0.00 -1.14 0.00 0.00 41.12 39.19 1xpv n ASP 35 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1xpv n ASP 36 N -0.58 -0.31 -3.14 -1.12 2.03 -1.26 -4.90 116.55 107.27 1xpv n ASP 36 Ca 0.02 -1.15 0.05 0.00 0.52 0.00 0.00 54.79 54.23 1xpv n ASP 36 Cb 0.60 -2.32 0.00 0.00 -0.72 0.00 0.00 41.12 38.68 1xpv n ASP 36 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xpv s ASP 37 N -4.27 -0.52 0.29 1.67 -1.08 -1.13 -5.02 116.67 106.61 1xpv s ASP 37 Ca 0.07 0.05 0.06 0.00 -0.52 0.00 0.00 52.55 52.21 1xpv s ASP 37 Cb -0.03 1.31 0.45 0.00 -1.46 0.00 0.00 42.92 43.18 1xpv s ASP 37 CO 0.94 -0.09 1.69 0.00 0.52 0.00 0.00 175.17 178.23 1xpv h ALA 38 N 7.26 1.10 -0.05 3.66 0.00 -1.90 -0.95 119.26 128.38 1xpv h ALA 38 Ca -0.08 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1xpv h ALA 38 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xpv h ALA 38 CO -0.07 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1xpv h ALA 39 N 1.37 0.05 -0.35 0.00 0.00 -1.95 0.92 119.26 119.30 1xpv h ALA 39 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xpv h ALA 39 Cb 0.83 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1xpv h ALA 39 CO 0.07 -0.47 -0.19 -0.07 0.00 0.00 0.00 179.25 178.59 1xpv h LEU 40 N 0.03 0.65 -0.35 0.00 3.38 -1.81 0.37 115.31 117.58 1xpv h LEU 40 Ca 0.02 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1xpv h LEU 40 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1xpv h LEU 40 CO -0.03 0.85 0.05 -0.33 0.09 0.00 0.00 178.44 179.06 1xpv h GLU 41 N 0.58 0.59 -0.01 1.13 4.39 -0.50 0.71 114.58 121.47 1xpv h GLU 41 Ca 0.09 -0.16 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1xpv h GLU 41 Cb 0.65 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1xpv h GLU 41 CO 0.05 0.67 -0.65 1.03 -1.16 0.00 0.00 179.01 178.94 1xpv h SER 42 N 0.42 0.07 -0.09 1.42 0.87 0.11 1.44 113.55 117.79 1xpv h SER 42 Ca 0.11 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 1xpv h SER 42 Cb 0.37 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1xpv h SER 42 CO 0.01 0.70 -0.43 0.00 -0.53 0.00 0.00 176.83 176.58 1xpv h ALA 43 N 1.30 0.17 0.00 6.23 0.00 0.02 -3.43 119.26 123.55 1xpv h ALA 43 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xpv h ALA 43 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xpv h ALA 43 CO 0.09 0.31 -0.17 0.66 0.00 0.00 0.00 179.25 180.13 1xpv n TYR 44 N -4.30 0.00 0.00 0.00 4.01 0.24 -4.91 117.16 112.20 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 0.56 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 2.59 0.28 0.19 2.72 0.00 0.49 0.16 105.19 111.63 1xpv n GLY 45 Ca -0.02 0.45 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 1xpv n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xpv h LEU 46 N 0.00 0.35 -3.31 0.99 7.12 -1.94 -2.69 115.31 115.83 1xpv h LEU 46 Ca 0.00 -0.17 -0.34 0.00 0.13 0.00 0.00 57.88 57.50 1xpv h LEU 46 Cb 0.00 -0.10 -0.18 0.00 -0.53 0.00 0.00 40.66 39.85 1xpv h LEU 46 CO 0.00 0.78 0.43 0.54 -0.13 0.00 0.00 178.44 180.06 1xpv n ARG 47 N -3.97 1.83 -0.23 1.25 3.00 0.12 -4.55 116.66 114.11 1xpv n ARG 47 Ca -0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 57.85 55.96 1xpv n ARG 47 Cb 0.54 -1.73 0.07 0.00 0.00 0.00 0.00 32.46 31.34 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 0.71 0.33 -0.21 1.55 2.07 -1.63 -2.94 116.25 116.13 1xpv h VAL 48 Ca 0.38 -0.00 -0.63 0.00 0.82 0.00 0.00 66.70 67.27 1xpv h VAL 48 Cb 1.79 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1xpv h VAL 48 CO 0.75 0.00 2.37 -0.81 0.02 0.00 0.00 177.57 179.90 1xpv n PRO 49 N -5.45 2.23 -4.69 1.57 -0.04 -1.23 -3.92 135.00 123.48 1xpv n PRO 49 Ca 0.08 -2.42 -0.33 0.00 -0.04 0.00 0.00 63.50 60.79 1xpv n PRO 49 Cb 0.34 -3.26 -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 5.23 2.69 -0.06 0.52 1.01 -1.11 -3.98 120.40 124.70 1xpv s VAL 50 Ca 0.55 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 1xpv s VAL 50 Cb 0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1xpv s VAL 50 CO 0.05 0.52 0.71 -0.22 0.00 0.00 0.00 175.10 176.16 1xpv s LEU 51 N 0.62 4.32 0.04 3.92 0.20 -1.19 -1.57 118.68 125.03 1xpv s LEU 51 Ca -0.09 1.21 0.05 0.00 0.69 0.00 0.00 54.13 55.99 1xpv s LEU 51 Cb -0.16 -3.10 -0.02 0.00 -0.43 0.00 0.00 46.19 42.48 1xpv s LEU 51 CO 0.03 -0.11 -0.13 -0.60 -0.29 0.00 0.00 176.35 175.24 1xpv s ARG 52 N 0.75 0.85 0.43 1.98 3.00 0.48 0.37 118.95 126.82 1xpv s ARG 52 Ca 0.38 -0.78 0.07 0.00 -1.00 0.00 0.00 55.73 54.39 1xpv s ARG 52 Cb -0.18 -0.84 -0.05 0.00 0.00 0.00 0.00 34.95 33.88 1xpv s ARG 52 CO 0.18 0.20 0.15 -0.51 0.00 0.00 0.00 175.30 175.32 1xpv s ASP 53 N -1.27 4.31 0.37 -2.12 1.11 0.98 0.82 116.67 120.87 1xpv s ASP 53 Ca -0.00 -1.19 0.20 0.00 0.18 0.00 0.00 52.55 51.73 1xpv s ASP 53 Cb -0.08 -0.33 0.55 0.00 1.07 0.00 0.00 42.92 44.13 1xpv s ASP 53 CO 0.01 -0.59 1.66 1.55 1.18 0.00 0.00 175.17 178.99 1xpv h PRO 54 N 1.44 0.00 -0.01 8.23 0.13 -1.86 -3.01 132.00 136.92 1xpv h PRO 54 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xpv h PRO 54 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xpv h PRO 54 CO 0.72 0.34 0.04 0.52 -0.23 0.00 0.00 178.00 179.39 1xpv h MET 55 N 0.00 0.00 0.00 0.86 2.86 -1.96 -3.44 114.93 113.25 1xpv h MET 55 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xpv h MET 55 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1xpv h MET 55 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1xpv n GLY 56 N -1.13 1.51 3.21 8.32 0.00 -1.14 -4.89 105.19 111.08 1xpv n GLY 56 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.50 1.00 0.16 1.61 0.52 -1.25 -4.99 118.95 115.51 1xpv s ARG 57 Ca 0.00 -1.46 -0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1xpv s ARG 57 Cb 0.00 -0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.21 1xpv s ARG 57 CO 0.00 -0.09 0.11 -1.83 0.02 0.00 0.00 175.30 173.50 1xpv s GLU 58 N -3.89 1.06 0.06 3.54 4.04 -1.26 -0.01 118.70 122.24 1xpv s GLU 58 Ca 0.20 -1.51 0.07 0.00 0.04 0.00 0.00 54.97 53.77 1xpv s GLU 58 Cb 0.06 0.26 -0.03 0.00 0.02 0.00 0.00 34.13 34.44 1xpv s GLU 58 CO 0.01 -0.33 -0.21 -1.17 -1.84 0.00 0.00 175.26 171.72 1xpv s LEU 59 N -3.09 2.20 0.59 1.83 2.96 0.16 -4.97 118.68 118.36 1xpv s LEU 59 Ca 0.30 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.46 1xpv s LEU 59 Cb 0.07 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 1xpv s LEU 59 CO 0.06 0.13 1.00 -0.67 -1.32 0.00 0.00 176.35 175.55 1xpv n ASP 60 N 1.66 0.93 0.08 3.68 2.03 -1.26 -3.19 116.55 120.48 1xpv n ASP 60 Ca -0.18 0.82 -0.12 0.00 0.52 0.00 0.00 54.79 55.84 1xpv n ASP 60 Cb 0.53 -1.40 -0.05 0.00 -0.72 0.00 0.00 41.12 39.48 1xpv n ASP 60 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1xpv h TRP 61 N 0.58 -0.45 -3.22 -0.67 -0.00 -1.91 -3.38 115.95 106.89 1xpv h TRP 61 Ca -0.48 0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 57.85 1xpv h TRP 61 Cb 1.36 0.19 -0.05 0.00 -0.00 0.00 0.00 29.16 30.66 1xpv h TRP 61 CO 0.38 -0.25 1.04 -1.25 -0.00 0.00 0.00 178.44 178.36 1xpv s PRO 62 N -6.12 3.70 0.21 2.65 0.04 -1.26 -4.95 135.00 129.26 1xpv s PRO 62 Ca -0.15 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 61.94 1xpv s PRO 62 Cb 0.08 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.65 1xpv s PRO 62 CO 0.66 -1.41 0.31 1.97 0.04 0.00 0.00 177.00 178.57 1xpv n PHE 63 N 8.40 -1.14 -4.18 0.56 1.16 -1.26 -5.12 117.46 115.87 1xpv n PHE 63 Ca 0.16 -1.32 -0.09 0.00 -1.87 0.00 0.00 57.45 54.34 1xpv n PHE 63 Cb 0.47 0.35 -0.02 0.00 -1.61 0.00 0.00 39.48 38.68 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 -1.75 1.47 -0.05 5.98 8.00 -1.26 -4.98 116.55 123.95 1xpv n ASP 64 Ca -0.00 -1.69 -0.14 0.00 0.71 0.00 0.00 54.79 53.67 1xpv n ASP 64 Cb 0.34 0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.17 -0.00 0.00 2.24 0.00 -1.95 -1.13 119.26 119.59 1xpv h ALA 65 Ca -0.11 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1xpv h ALA 65 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xpv h ALA 65 CO 0.18 -0.07 -0.15 -1.00 0.00 0.00 0.00 179.25 178.21 1xpv h PRO 66 N -0.87 0.00 0.05 0.00 0.13 -1.94 -0.77 132.00 128.59 1xpv h PRO 66 Ca -0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 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 0.00 0.15 -1.25 -0.09 -0.23 0.00 0.00 178.00 176.58 1xpv h ARG 67 N 0.00 0.11 0.21 0.86 2.43 -1.96 -1.70 114.38 114.32 1xpv h ARG 67 Ca -0.00 -0.18 -0.33 0.00 -0.81 0.00 0.00 59.98 58.66 1xpv h ARG 67 Cb 0.86 0.07 0.04 0.00 -0.42 0.00 0.00 29.97 30.52 1xpv h ARG 67 CO 0.02 1.00 -1.40 1.25 -1.51 0.00 0.00 179.97 179.32 1xpv h LEU 68 N 0.03 0.86 -0.03 3.80 5.85 -1.08 -2.80 115.31 121.94 1xpv h LEU 68 Ca -0.12 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 57.72 1xpv h LEU 68 Cb 1.89 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1xpv h LEU 68 CO 0.14 1.68 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.82 1xpv h ARG 69 N 0.19 0.06 -0.42 1.25 9.65 -1.24 -0.09 114.38 123.78 1xpv h ARG 69 Ca -0.23 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1xpv h ARG 69 Cb 2.09 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.65 1xpv h ARG 69 CO 0.26 0.46 0.29 0.00 2.80 0.00 0.00 179.97 183.79 1xpv h ALA 70 N 0.59 2.18 -0.11 2.80 0.00 -1.42 0.23 119.26 123.52 1xpv h ALA 70 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1xpv h ALA 70 Cb 0.45 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xpv h ALA 70 CO 0.00 -0.28 -0.70 2.35 0.00 0.00 0.00 179.25 180.62 1xpv h TRP 71 N 0.17 0.92 -0.09 0.00 7.01 -1.25 0.64 115.95 123.35 1xpv h TRP 71 Ca 0.20 -0.42 0.01 0.00 2.11 0.00 0.00 58.89 60.79 1xpv h TRP 71 Cb 0.56 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1xpv h TRP 71 CO -0.00 1.24 0.01 -0.07 -2.79 0.00 0.00 178.44 176.83 1xpv h LEU 72 N 0.34 0.00 -0.72 0.65 3.38 0.12 -2.22 115.31 116.85 1xpv h LEU 72 Ca -0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1xpv h LEU 72 Cb 1.35 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 1xpv h LEU 72 CO 0.14 0.02 0.12 0.44 0.09 0.00 0.00 178.44 179.25 1xpv h ASP 73 N 0.05 1.05 -1.42 -0.43 3.32 -0.71 -2.43 116.42 115.85 1xpv h ASP 73 Ca 0.04 -0.24 0.48 0.00 0.02 0.00 0.00 57.03 57.33 1xpv h ASP 73 Cb 0.03 -0.28 -0.14 0.00 0.22 0.00 0.00 39.33 39.17 1xpv h ASP 73 CO -0.05 1.03 0.92 0.00 -1.72 0.00 0.00 179.24 179.42 1xpv h ALA 74 N 1.09 2.90 -6.89 3.45 0.00 -0.22 -3.44 119.26 116.15 1xpv h ALA 74 Ca 0.21 0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.68 1xpv h ALA 74 Cb 0.42 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xpv h ALA 74 CO 0.01 -1.59 -1.06 0.00 0.00 0.00 0.00 179.25 176.61 1xpv n ALA 75 N -2.55 -2.70 -1.42 0.00 0.00 -0.91 -4.92 120.51 108.00 1xpv n ALA 75 Ca 0.41 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1xpv n ALA 75 Cb 1.60 -1.72 0.19 0.00 0.00 0.00 0.00 19.45 19.52 1xpv n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xpv n PRO 76 N -4.01 -1.94 0.00 0.00 -0.04 -1.26 -5.05 135.00 122.69 1xpv n PRO 76 Ca -0.21 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1xpv n PRO 76 Cb 0.62 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1xpv n PRO 76 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xpv n HIS 77 N -4.02 -0.26 -0.71 0.54 8.25 -1.26 -4.94 115.22 112.82 1xpv n HIS 77 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1xpv n HIS 77 Cb 0.49 0.40 0.00 0.00 1.12 0.00 0.00 29.99 32.00 1xpv n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98