#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6j n ASP 2 N 0.00 3.15 0.22 6.12 -0.08 -1.26 -5.00 116.55 119.70 1x6j n ASP 2 Ca 0.00 -2.83 0.14 0.00 -1.51 0.00 0.00 54.79 50.59 1x6j n ASP 2 Cb 0.00 0.29 0.40 0.00 2.34 0.00 0.00 41.12 44.15 1x6j n ASP 2 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1x6j h ILE 3 N 1.20 0.00 -0.47 5.18 3.07 -1.97 -3.10 117.51 121.42 1x6j h ILE 3 Ca -0.35 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.36 1x6j h ILE 3 Cb 1.05 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 1x6j h ILE 3 CO 0.57 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 178.26 1x6j n ASN 4 N -2.92 3.34 -4.22 2.16 3.02 -1.26 -4.59 115.26 110.79 1x6j n ASN 4 Ca 0.03 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 1x6j n ASN 4 Cb 0.41 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1x6j n ASN 4 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1x6j s ASN 5 N -1.10 6.34 0.34 6.41 3.84 -1.17 -4.89 114.94 124.70 1x6j s ASN 5 Ca 0.35 -3.25 0.02 0.00 0.21 0.00 0.00 52.86 50.19 1x6j s ASN 5 Cb 0.19 -2.04 0.60 0.00 -0.55 0.00 0.00 41.25 39.44 1x6j s ASN 5 CO 0.25 -0.34 1.95 0.11 -2.79 0.00 0.00 177.10 176.28 1x6j h LYS 6 N 6.82 0.75 -0.66 0.43 1.57 -1.87 -2.34 116.57 121.28 1x6j h LYS 6 Ca 0.11 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1x6j h LYS 6 Cb 0.91 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1x6j h LYS 6 CO 0.83 0.58 0.10 0.00 -0.57 0.00 0.00 179.45 180.40 1x6j h ALA 7 N 1.54 0.88 -0.41 3.86 0.00 -1.99 0.16 119.26 123.31 1x6j h ALA 7 Ca 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1x6j h ALA 7 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1x6j h ALA 7 CO -0.03 0.65 -0.07 -0.09 0.00 0.00 0.00 179.25 179.71 1x6j h ARG 8 N 1.02 0.77 -0.55 0.00 9.65 -1.92 -2.01 114.38 121.33 1x6j h ARG 8 Ca 0.20 -0.28 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 1x6j h ARG 8 Cb 0.45 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1x6j h ARG 8 CO 0.01 0.89 0.17 0.82 2.80 0.00 0.00 179.97 184.66 1x6j h ILE 9 N 0.59 1.24 -0.63 1.20 2.04 -1.27 -2.16 117.51 118.52 1x6j h ILE 9 Ca 0.11 -0.81 0.13 0.00 1.00 0.00 0.00 64.86 65.29 1x6j h ILE 9 Cb 0.59 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 1x6j h ILE 9 CO 0.04 0.30 0.04 -0.74 0.00 0.00 0.00 178.15 177.79 1x6j h HIS 10 N 0.77 0.03 -0.32 1.37 2.76 -0.54 -1.86 115.15 117.36 1x6j h HIS 10 Ca 0.18 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1x6j h HIS 10 Cb 0.29 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1x6j h HIS 10 CO 0.02 -0.14 0.17 2.35 -1.30 0.00 0.00 177.93 179.03 1x6j h TRP 11 N 0.15 0.31 -0.02 5.26 7.01 -1.16 -2.12 115.95 125.39 1x6j h TRP 11 Ca 0.33 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.35 1x6j h TRP 11 Cb 0.54 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1x6j h TRP 11 CO -0.34 0.17 0.08 0.00 -2.79 0.00 0.00 178.44 175.56 1x6j h ALA 12 N 1.16 1.18 0.00 2.65 0.00 -0.70 -1.75 119.26 121.80 1x6j h ALA 12 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x6j h ALA 12 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1x6j h ALA 12 CO -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.08 1x6j s ARG 14 N -3.13 3.52 0.24 0.00 6.06 -0.66 -4.21 118.95 120.77 1x6j s ARG 14 Ca 0.10 0.92 0.05 0.00 -2.50 0.00 0.00 55.73 54.30 1x6j s ARG 14 Cb 0.10 -4.05 -0.03 0.00 0.06 0.00 0.00 34.95 31.03 1x6j s ARG 14 CO 0.62 -1.64 0.31 1.03 -2.50 0.00 0.00 175.30 173.12 1x6j s ARG 15 N 5.07 3.30 0.38 5.12 1.81 -1.26 -5.01 118.95 128.37 1x6j s ARG 15 Ca 0.62 -0.83 0.28 0.00 -1.72 0.00 0.00 55.73 54.08 1x6j s ARG 15 Cb -0.14 -2.81 1.26 0.00 -0.45 0.00 0.00 34.95 32.81 1x6j s ARG 15 CO 0.32 0.43 1.83 0.78 -0.68 0.00 0.00 175.30 177.98 1x6j h GLY 16 N 1.31 0.00 -5.10 -3.53 0.00 -1.99 -3.45 103.07 90.31 1x6j h GLY 16 Ca -0.51 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.14 1x6j h GLY 16 CO 0.61 0.00 -0.80 -0.29 0.00 0.00 0.00 176.54 176.06 1x6j s MET 17 N -3.53 2.73 0.14 4.80 -2.45 -1.26 -5.07 119.30 114.66 1x6j s MET 17 Ca 0.01 -0.75 -0.22 0.00 -1.25 0.00 0.00 55.69 53.48 1x6j s MET 17 Cb 0.09 -2.38 0.01 0.00 1.25 0.00 0.00 34.83 33.79 1x6j s MET 17 CO 0.40 0.46 1.66 -0.09 1.05 0.00 0.00 175.02 178.49 1x6j h ARG 18 N 5.88 -0.19 0.00 4.11 2.43 -2.00 -1.66 114.38 122.95 1x6j h ARG 18 Ca -0.37 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1x6j h ARG 18 Cb 1.17 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1x6j h ARG 18 CO 0.51 -0.13 -0.03 0.93 -1.51 0.00 0.00 179.97 179.75 1x6j h GLU 19 N -0.20 0.00 0.13 0.20 3.07 -1.99 -2.09 114.58 113.70 1x6j h GLU 19 Ca 0.12 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.66 1x6j h GLU 19 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1x6j h GLU 19 CO -0.30 0.03 -1.57 -0.07 -1.40 0.00 0.00 179.01 175.69 1x6j h LEU 20 N 0.00 0.43 -0.83 1.33 3.38 -1.84 -3.26 115.31 114.51 1x6j h LEU 20 Ca -0.00 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.41 1x6j h LEU 20 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1x6j h LEU 20 CO 0.00 1.50 0.53 0.44 0.09 0.00 0.00 178.44 181.01 1x6j h ASP 21 N 0.07 0.87 1.08 -0.43 3.45 -0.65 0.14 116.42 120.96 1x6j h ASP 21 Ca -0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.20 1x6j h ASP 21 Cb 2.03 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 40.61 1x6j h ASP 21 CO 0.16 0.59 0.00 -0.38 -1.57 0.00 0.00 179.24 178.04 1x6j n ILE 22 N -4.58 0.71 -0.13 0.35 5.41 -0.98 -3.02 119.36 117.12 1x6j n ILE 22 Ca 0.11 -0.01 -0.25 0.00 1.00 0.00 0.00 62.75 63.59 1x6j n ILE 22 Cb 0.11 -0.88 -0.09 0.00 -0.71 0.00 0.00 39.64 38.07 1x6j n ILE 22 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1x6j n SER 23 N -2.24 1.95 -0.06 4.38 2.88 -0.56 -4.60 113.62 115.37 1x6j n SER 23 Ca 0.04 0.34 -0.16 0.00 -1.33 0.00 0.00 58.87 57.75 1x6j n SER 23 Cb 0.32 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 62.85 1x6j n SER 23 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1x6j h ILE 24 N -1.00 1.59 -0.15 2.46 2.04 -0.87 -3.09 117.51 118.49 1x6j h ILE 24 Ca -0.55 -2.35 0.05 0.00 1.00 0.00 0.00 64.86 63.01 1x6j h ILE 24 Cb 1.48 3.16 -0.07 0.00 -0.74 0.00 0.00 36.82 40.65 1x6j h ILE 24 CO -0.34 0.58 -0.34 0.24 0.00 0.00 0.00 178.15 178.29 1x6j h MET 25 N -0.89 -0.39 -0.48 2.37 2.86 -1.70 -1.22 114.93 115.48 1x6j h MET 25 Ca -0.09 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1x6j h MET 25 Cb 1.16 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 1x6j h MET 25 CO -0.01 -0.26 -0.10 -1.35 1.06 0.00 0.00 176.91 176.24 1x6j h PRO 26 N -0.41 0.86 -0.29 -0.22 0.11 -1.74 0.11 132.00 130.43 1x6j h PRO 26 Ca 0.10 -0.29 0.07 0.00 0.11 0.00 0.00 66.00 65.98 1x6j h PRO 26 Cb 0.57 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.53 1x6j h PRO 26 CO -0.38 0.92 -0.31 0.35 -0.21 0.00 0.00 178.00 178.37 1x6j h PHE 27 N 0.78 -0.86 -0.09 0.65 3.57 -1.46 0.01 116.94 119.54 1x6j h PHE 27 Ca 0.13 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1x6j h PHE 27 Cb 0.61 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1x6j h PHE 27 CO 0.03 -0.38 -0.00 0.35 -2.23 0.00 0.00 178.31 176.08 1x6j h PHE 28 N -0.30 -0.01 -0.45 0.41 3.57 -0.70 0.82 116.94 120.29 1x6j h PHE 28 Ca 0.14 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1x6j h PHE 28 Cb 0.53 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1x6j h PHE 28 CO -0.47 -0.01 0.03 0.93 -2.23 0.00 0.00 178.31 176.55 1x6j h GLU 29 N 0.03 0.72 0.00 1.11 5.08 -0.70 -2.43 114.58 118.39 1x6j h GLU 29 Ca 0.04 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1x6j h GLU 29 Cb 0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1x6j h GLU 29 CO -0.07 0.71 -1.86 0.72 -1.00 0.00 0.00 179.01 177.51 1x6j n HIS 30 N -4.25 0.23 -0.00 4.33 8.25 -0.04 -4.74 115.22 119.00 1x6j n HIS 30 Ca 0.03 0.07 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 1x6j n HIS 30 Cb 0.27 -0.69 -0.02 0.00 1.12 0.00 0.00 29.99 30.67 1x6j n HIS 30 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1x6j n GLU 31 N -2.44 0.69 -0.20 -0.41 -0.58 0.28 -4.81 120.64 113.17 1x6j n GLU 31 Ca -0.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.63 1x6j n GLU 31 Cb 0.67 -1.05 0.09 0.00 -0.57 0.00 0.00 31.44 30.59 1x6j n GLU 31 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1x6j h TYR 32 N 0.00 0.44 0.00 -0.32 3.20 -1.38 -1.13 116.97 117.77 1x6j h TYR 32 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1x6j h TYR 32 Cb 0.27 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1x6j h TYR 32 CO 0.00 0.15 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.23 1x6j h ASP 33 N 0.45 0.00 0.91 -2.11 3.32 -1.87 -1.87 116.42 115.25 1x6j h ASP 33 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1x6j h ASP 33 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1x6j h ASP 33 CO -0.26 0.00 -0.23 -1.54 -1.72 0.00 0.00 179.24 175.50 1x6j n SER 34 N -3.80 0.36 -4.79 6.45 3.41 -0.43 -4.85 113.62 109.97 1x6j n SER 34 Ca -0.03 0.24 -0.36 0.00 -0.26 0.00 0.00 58.87 58.46 1x6j n SER 34 Cb 0.09 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1x6j n SER 34 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x6j s LEU 35 N -3.39 4.08 1.08 1.04 1.43 -0.71 -5.05 118.68 117.16 1x6j s LEU 35 Ca 0.12 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 1x6j s LEU 35 Cb 0.17 -4.26 0.23 0.00 0.03 0.00 0.00 46.19 42.35 1x6j s LEU 35 CO 0.61 -0.54 1.02 -1.54 0.23 0.00 0.00 176.35 176.13 1x6j n SER 36 N -0.25 -1.00 -0.08 2.29 3.41 -1.26 -4.76 113.62 111.97 1x6j n SER 36 Ca 0.06 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1x6j n SER 36 Cb 0.50 -1.33 0.29 0.00 -0.26 0.00 0.00 64.21 63.41 1x6j n SER 36 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1x6j h ASP 37 N -2.36 0.64 -0.46 4.04 5.19 -1.97 -0.89 116.42 120.61 1x6j h ASP 37 Ca -0.54 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 55.68 1x6j h ASP 37 Cb 1.31 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1x6j h ASP 37 CO 0.45 0.57 -0.18 -0.78 -3.12 0.00 0.00 179.24 176.18 1x6j h ASP 38 N 0.71 0.96 -0.66 6.45 -0.00 -2.00 -2.23 116.42 119.64 1x6j h ASP 38 Ca 0.17 -0.39 0.01 0.00 -0.00 0.00 0.00 57.03 56.83 1x6j h ASP 38 Cb 0.11 -0.26 -0.04 0.00 -0.00 0.00 0.00 39.33 39.14 1x6j h ASP 38 CO -0.02 1.13 0.43 -0.33 -0.00 0.00 0.00 179.24 180.45 1x6j h GLU 39 N 0.78 0.84 -0.22 0.28 5.08 -1.84 -1.82 114.58 117.67 1x6j h GLU 39 Ca 0.11 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1x6j h GLU 39 Cb 0.75 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1x6j h GLU 39 CO 0.06 0.56 0.03 0.87 -1.00 0.00 0.00 179.01 179.52 1x6j h LYS 40 N 0.87 0.11 -0.55 2.33 1.57 -1.00 -0.57 116.57 119.32 1x6j h LYS 40 Ca 0.25 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1x6j h LYS 40 Cb -0.06 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1x6j h LYS 40 CO -0.07 0.07 0.33 0.00 -0.57 0.00 0.00 179.45 179.22 1x6j h ARG 41 N 0.11 0.65 -0.60 3.15 3.08 -1.26 -0.09 114.38 119.41 1x6j h ARG 41 Ca 0.10 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1x6j h ARG 41 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1x6j h ARG 41 CO -0.15 0.43 0.20 0.82 -1.07 0.00 0.00 179.97 180.20 1x6j h ILE 42 N 0.66 1.24 -0.69 2.04 2.04 -1.17 -2.52 117.51 119.11 1x6j h ILE 42 Ca 0.22 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1x6j h ILE 42 Cb 0.01 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1x6j h ILE 42 CO -0.09 0.31 0.43 0.15 0.00 0.00 0.00 178.15 178.94 1x6j h PHE 43 N 0.85 0.89 -0.78 1.37 3.57 -0.62 0.11 116.94 122.34 1x6j h PHE 43 Ca 0.20 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1x6j h PHE 43 Cb 0.27 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1x6j h PHE 43 CO 0.02 0.59 0.45 0.82 -2.23 0.00 0.00 178.31 177.96 1x6j h ILE 44 N 0.93 0.96 -0.42 1.41 2.04 -0.76 -1.96 117.51 119.71 1x6j h ILE 44 Ca 0.25 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 1x6j h ILE 44 Cb -0.05 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1x6j h ILE 44 CO -0.05 0.15 -0.26 -0.09 0.00 0.00 0.00 178.15 177.90 1x6j h ARG 45 N 0.80 0.88 -0.97 2.37 2.43 -0.96 -2.21 114.38 116.72 1x6j h ARG 45 Ca 0.36 -0.39 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1x6j h ARG 45 Cb 0.26 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 1x6j h ARG 45 CO -0.21 1.04 0.58 1.25 -1.51 0.00 0.00 179.97 181.12 1x6j h LEU 46 N 0.76 0.80 -2.27 3.80 5.85 -0.13 -1.97 115.31 122.14 1x6j h LEU 46 Ca 0.09 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1x6j h LEU 46 Cb 0.81 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1x6j h LEU 46 CO 0.07 0.36 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.43 1x6j h LEU 47 N 0.83 0.00 -0.23 2.25 3.38 -0.72 -1.23 115.31 119.59 1x6j h LEU 47 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 1x6j h LEU 47 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1x6j h LEU 47 CO -0.33 0.03 0.00 -0.33 0.09 0.00 0.00 178.44 177.90 1x6j h GLU 48 N 0.00 0.00 -7.21 1.13 4.39 -1.35 -3.46 114.58 108.07 1x6j h GLU 48 Ca -0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1x6j h GLU 48 Cb 0.23 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.01 1x6j h GLU 48 CO 0.00 0.00 0.36 0.00 -1.16 0.00 0.00 179.01 178.21 1x6j s ASP 50 N -2.46 6.32 0.24 0.00 1.01 -1.26 -4.90 116.67 115.62 1x6j s ASP 50 Ca 0.69 1.86 -0.05 0.00 0.71 0.00 0.00 52.55 55.77 1x6j s ASP 50 Cb -0.24 -2.55 0.37 0.00 1.01 0.00 0.00 42.92 41.52 1x6j s ASP 50 CO 0.46 -0.80 1.83 0.44 0.21 0.00 0.00 175.17 177.32 1x6j h ASP 51 N 1.35 0.76 -0.98 0.27 3.32 -1.96 -1.99 116.42 117.19 1x6j h ASP 51 Ca -0.49 0.03 0.11 0.00 0.02 0.00 0.00 57.03 56.71 1x6j h ASP 51 Cb 1.21 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 1x6j h ASP 51 CO 0.59 0.46 0.62 -0.65 -1.72 0.00 0.00 179.24 178.55 1x6j h PRO 52 N 0.89 0.96 -0.16 3.56 0.11 -2.00 -0.28 132.00 135.08 1x6j h PRO 52 Ca 0.39 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.36 1x6j h PRO 52 Cb 0.28 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1x6j h PRO 52 CO -0.21 0.63 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.53 1x6j h ASP 53 N 0.99 0.48 -0.88 -2.05 3.45 -1.82 -2.59 116.42 113.99 1x6j h ASP 53 Ca 0.47 -0.53 0.02 0.00 0.43 0.00 0.00 57.03 57.43 1x6j h ASP 53 Cb 0.45 -0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.04 1x6j h ASP 53 CO -0.24 0.91 0.58 -0.07 -1.57 0.00 0.00 179.24 178.86 1x6j h LEU 54 N 0.07 0.99 -0.25 1.55 3.38 -1.02 0.24 115.31 120.26 1x6j h LEU 54 Ca 0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1x6j h LEU 54 Cb 0.81 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1x6j h LEU 54 CO 0.06 0.70 -0.31 0.15 0.09 0.00 0.00 178.44 179.13 1x6j h PHE 55 N 1.16 0.80 -0.51 1.13 3.57 -1.07 -0.72 116.94 121.31 1x6j h PHE 55 Ca 0.33 -0.26 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1x6j h PHE 55 Cb -0.08 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1x6j h PHE 55 CO -0.00 1.00 0.27 -0.91 -2.23 0.00 0.00 178.31 176.44 1x6j h ASN 56 N 0.38 0.40 -0.29 0.41 2.35 -1.20 -0.55 115.58 117.09 1x6j h ASN 56 Ca 0.03 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1x6j h ASN 56 Cb 0.89 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1x6j h ASN 56 CO 0.07 0.28 0.10 -0.50 -1.65 0.00 0.00 177.43 175.74 1x6j h TRP 57 N 0.53 0.45 -0.10 1.19 6.55 -0.75 0.89 115.95 124.71 1x6j h TRP 57 Ca 0.22 -0.04 -0.05 0.00 0.95 0.00 0.00 58.89 59.97 1x6j h TRP 57 Cb 0.10 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.26 1x6j h TRP 57 CO -0.09 0.46 -0.17 -0.07 -1.05 0.00 0.00 178.44 177.52 1x6j h LEU 58 N 0.31 0.15 -0.30 -4.49 3.38 -1.02 -0.18 115.31 113.16 1x6j h LEU 58 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x6j h LEU 58 Cb 0.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x6j h LEU 58 CO -0.01 0.33 -0.05 0.23 0.09 0.00 0.00 178.44 179.04 1x6j n MET 59 N -4.27 0.95 -1.80 1.13 2.81 -0.22 -4.95 117.12 110.77 1x6j n MET 59 Ca -0.01 -0.30 -0.14 0.00 -1.81 0.00 0.00 57.70 55.44 1x6j n MET 59 Cb 0.28 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 1x6j n MET 59 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1x6j n ASN 60 N -0.77 -4.56 -4.57 7.83 3.02 -0.08 -4.93 115.26 111.20 1x6j n ASN 60 Ca 0.18 0.19 -0.41 0.00 -0.03 0.00 0.00 54.58 54.50 1x6j n ASN 60 Cb 0.24 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 35.90 1x6j n ASN 60 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1x6j s HIS 61 N -2.61 2.63 0.00 3.10 2.46 0.18 -4.86 115.29 116.19 1x6j s HIS 61 Ca 0.00 -1.19 0.00 0.00 0.47 0.00 0.00 55.06 54.34 1x6j s HIS 61 Cb 0.00 -4.69 0.00 0.00 -0.13 0.00 0.00 32.58 27.76 1x6j s HIS 61 CO 0.00 -1.84 0.00 0.41 -2.47 0.00 0.00 174.74 170.84 1x6j n GLY 62 N 6.05 0.10 3.60 1.59 0.00 -1.26 -4.45 105.19 110.81 1x6j n GLY 62 Ca 0.42 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 1x6j n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6j s LYS 63 N 0.00 0.67 0.43 1.61 -2.85 -1.26 -4.68 119.74 113.66 1x6j s LYS 63 Ca 0.00 -0.31 -0.24 0.00 -1.00 0.00 0.00 55.97 54.43 1x6j s LYS 63 Cb 0.00 0.27 -0.08 0.00 -2.06 0.00 0.00 37.83 35.96 1x6j s LYS 63 CO 0.00 -0.30 1.15 -2.14 0.10 0.00 0.00 175.35 174.16 1x6j s PRO 64 N -2.82 3.92 0.40 1.78 0.02 -1.26 -4.93 135.00 132.11 1x6j s PRO 64 Ca 0.10 1.77 0.18 0.00 0.02 0.00 0.00 61.00 63.06 1x6j s PRO 64 Cb 0.00 -2.52 0.83 0.00 0.02 0.00 0.00 34.50 32.83 1x6j s PRO 64 CO -0.04 -0.41 1.83 0.00 -0.33 0.00 0.00 177.00 178.04 1x6j h ALA 65 N 2.32 1.21 -1.81 -1.55 0.00 -2.01 -3.42 119.26 114.00 1x6j h ALA 65 Ca -0.49 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 1x6j h ALA 65 Cb 1.24 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1x6j h ALA 65 CO 0.61 0.42 0.90 0.34 0.00 0.00 0.00 179.25 181.52 1x6j s ASP 66 N -6.61 6.75 0.47 0.00 -1.08 -1.26 -4.92 116.67 110.02 1x6j s ASP 66 Ca -0.02 0.69 0.15 0.00 -0.52 0.00 0.00 52.55 52.86 1x6j s ASP 66 Cb 0.13 -2.55 1.08 0.00 -1.46 0.00 0.00 42.92 40.13 1x6j s ASP 66 CO 0.69 -1.11 2.03 0.00 0.52 0.00 0.00 175.17 177.30 1x6j h ALA 67 N 8.80 1.75 -0.56 3.66 0.00 -1.99 0.09 119.26 131.01 1x6j h ALA 67 Ca -0.22 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1x6j h ALA 67 Cb 1.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1x6j h ALA 67 CO 1.09 0.17 0.08 0.93 0.00 0.00 0.00 179.25 181.53 1x6j h GLU 68 N 0.00 0.93 -0.39 0.00 5.08 -1.95 0.01 114.58 118.26 1x6j h GLU 68 Ca -0.00 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1x6j h GLU 68 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x6j h GLU 68 CO 0.02 0.90 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.79 1x6j h LEU 69 N 0.82 0.73 -0.52 1.33 3.38 -1.57 -1.85 115.31 117.64 1x6j h LEU 69 Ca 0.17 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.86 1x6j h LEU 69 Cb 0.42 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1x6j h LEU 69 CO 0.01 0.91 0.19 -0.08 0.09 0.00 0.00 178.44 179.56 1x6j h GLU 70 N 0.54 0.36 -0.63 1.13 4.81 -0.75 -0.20 114.58 119.85 1x6j h GLU 70 Ca 0.10 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1x6j h GLU 70 Cb 0.57 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1x6j h GLU 70 CO 0.03 0.24 0.29 1.98 -0.73 0.00 0.00 179.01 180.83 1x6j h MET 71 N 0.37 0.89 -0.22 1.92 4.05 -0.83 -2.09 114.93 119.01 1x6j h MET 71 Ca 0.25 -0.12 -0.15 0.00 -0.28 0.00 0.00 59.70 59.40 1x6j h MET 71 Cb 0.27 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1x6j h MET 71 CO -0.25 0.69 -0.45 1.98 0.23 0.00 0.00 176.91 179.12 1x6j h MET 72 N 0.88 0.70 -0.64 0.39 1.85 -0.87 -1.29 114.93 115.95 1x6j h MET 72 Ca 0.22 -0.45 0.05 0.00 -0.61 0.00 0.00 59.70 58.90 1x6j h MET 72 Cb 0.10 0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.14 1x6j h MET 72 CO -0.03 1.07 0.37 0.28 -0.40 0.00 0.00 176.91 178.20 1x6j h VAL 73 N 0.41 1.00 -0.30 -5.77 2.07 -0.87 -1.25 116.25 111.55 1x6j h VAL 73 Ca 0.01 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1x6j h VAL 73 Cb 1.05 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1x6j h VAL 73 CO 0.10 0.13 -0.20 0.03 0.02 0.00 0.00 177.57 177.65 1x6j h ARG 74 N 0.69 0.55 -0.59 1.57 3.08 -1.23 -2.00 114.38 116.46 1x6j h ARG 74 Ca 0.28 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.03 1x6j h ARG 74 Cb 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1x6j h ARG 74 CO -0.15 0.72 -0.04 1.25 -1.07 0.00 0.00 179.97 180.68 1x6j h LEU 75 N 0.50 1.06 -0.62 3.04 5.85 -0.52 -1.17 115.31 123.44 1x6j h LEU 75 Ca 0.08 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1x6j h LEU 75 Cb 0.62 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1x6j h LEU 75 CO 0.04 1.13 0.31 0.40 -0.34 0.00 0.00 178.44 179.98 1x6j h ILE 76 N 0.97 0.90 -0.13 4.05 2.04 -0.98 -0.02 117.51 124.34 1x6j h ILE 76 Ca 0.16 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1x6j h ILE 76 Cb 0.60 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1x6j h ILE 76 CO 0.04 0.10 0.04 1.56 0.00 0.00 0.00 178.15 179.89 1x6j h GLN 77 N 0.56 0.21 0.21 2.37 4.20 -1.05 -0.37 115.11 121.25 1x6j h GLN 77 Ca 0.29 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 1x6j h GLN 77 Cb 0.25 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1x6j h GLN 77 CO -0.22 0.34 -0.11 1.15 -0.67 0.00 0.00 178.83 179.32 1x6j h THR 78 N 0.04 0.78 -0.74 -0.54 2.02 -1.06 -1.29 112.91 112.12 1x6j h THR 78 Ca 0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1x6j h THR 78 Cb 0.21 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1x6j h THR 78 CO -0.00 0.00 0.27 0.03 0.37 0.00 0.00 175.52 176.19 1x6j h ARG 79 N -0.29 1.12 -0.57 6.66 2.47 -0.98 -2.54 114.38 120.25 1x6j h ARG 79 Ca -0.03 -0.22 -0.10 0.00 -1.26 0.00 0.00 59.98 58.38 1x6j h ARG 79 Cb 0.23 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1x6j h ARG 79 CO 0.04 0.93 -0.03 -0.91 0.56 0.00 0.00 179.97 180.57 1x6j h ASN 80 N 1.07 0.99 -0.70 7.04 4.21 -1.04 -2.50 115.58 124.66 1x6j h ASN 80 Ca 0.24 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 1x6j h ASN 80 Cb 0.25 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 37.15 1x6j h ASN 80 CO -0.01 1.06 0.40 -0.09 -1.29 0.00 0.00 177.43 177.49 1x6j h ARG 81 N 0.92 0.97 0.00 0.81 2.43 -1.09 -1.50 114.38 116.93 1x6j h ARG 81 Ca 0.16 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1x6j h ARG 81 Cb 0.57 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1x6j h ARG 81 CO 0.03 0.72 -0.39 0.93 -1.51 0.00 0.00 179.97 179.75 1x6j h GLU 82 N 0.96 0.00 0.06 0.20 5.08 -1.34 -3.32 114.58 116.22 1x6j h GLU 82 Ca 0.25 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.31 1x6j h GLU 82 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1x6j h GLU 82 CO -0.04 0.39 -1.64 -0.09 -1.00 0.00 0.00 179.01 176.63 1x6j h ARG 83 N 0.00 0.13 0.00 2.33 2.43 -1.25 -3.49 114.38 114.53 1x6j h ARG 83 Ca -0.00 -0.21 -0.32 0.00 -0.81 0.00 0.00 59.98 58.63 1x6j h ARG 83 Cb 1.09 0.08 0.15 0.00 -0.42 0.00 0.00 29.97 30.87 1x6j h ARG 83 CO 0.05 0.87 0.14 0.41 -1.51 0.00 0.00 179.97 179.92 1x6j n GLY 84 N 1.65 -2.48 3.68 2.80 0.00 -0.58 -4.96 105.19 105.31 1x6j n GLY 84 Ca -0.18 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1x6j n GLY 84 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1x6j s PRO 85 N -5.06 4.18 -0.40 1.61 0.02 -1.26 -5.00 135.00 129.09 1x6j s PRO 85 Ca 0.58 2.39 -0.25 0.00 0.02 0.00 0.00 61.00 63.74 1x6j s PRO 85 Cb -0.05 -3.68 0.02 0.00 0.02 0.00 0.00 34.50 30.81 1x6j s PRO 85 CO 0.44 -0.78 0.89 0.08 -0.33 0.00 0.00 177.00 177.29 1x6j s VAL 86 N 2.92 4.58 -0.31 3.83 1.01 -1.26 -5.02 120.40 126.15 1x6j s VAL 86 Ca 0.76 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.60 1x6j s VAL 86 Cb -0.41 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1x6j s VAL 86 CO 0.34 -0.62 0.13 0.00 0.00 0.00 0.00 175.10 174.94 1x6j s ALA 87 N 3.48 3.19 -2.00 5.51 0.00 -1.26 -5.30 121.76 125.37 1x6j s ALA 87 Ca 0.36 -1.46 0.11 0.00 0.00 0.00 0.00 51.96 50.97 1x6j s ALA 87 Cb -0.12 -2.31 0.65 0.00 0.00 0.00 0.00 23.12 21.35 1x6j s ALA 87 CO 0.21 -0.97 1.09 0.44 0.00 0.00 0.00 175.76 176.53