#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m90 s ASP 2 N 0.00 3.45 -0.12 3.42 -1.08 -1.26 -5.02 116.67 116.06 1m90 s ASP 2 Ca 0.00 -1.23 0.16 0.00 -0.52 0.00 0.00 52.55 50.96 1m90 s ASP 2 Cb 0.00 -0.58 0.67 0.00 -1.46 0.00 0.00 42.92 41.55 1m90 s ASP 2 CO 0.00 -0.39 1.56 0.18 0.52 0.00 0.00 175.17 177.04 1m90 n LEU 3 N 5.06 4.50 -0.11 -1.34 4.77 -1.26 -4.50 117.00 124.11 1m90 n LEU 3 Ca -0.05 -2.27 0.02 0.00 -0.03 0.00 0.00 56.01 53.67 1m90 n LEU 3 Cb 0.44 -0.57 0.32 0.00 -2.33 0.00 0.00 43.42 41.28 1m90 n LEU 3 CO 0.09 0.72 1.18 0.77 -1.33 0.00 0.00 177.39 178.82 1m90 h SER 4 N 3.72 0.68 -0.15 -1.43 4.64 -1.99 -1.15 113.55 117.87 1m90 h SER 4 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1m90 h SER 4 Cb 1.41 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1m90 h SER 4 CO 0.25 0.52 0.05 0.00 -0.87 0.00 0.00 176.83 176.78 1m90 h ALA 5 N 1.60 0.19 -0.89 5.18 0.00 -2.00 -2.32 119.26 121.02 1m90 h ALA 5 Ca 0.21 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1m90 h ALA 5 Cb -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1m90 h ALA 5 CO -0.04 -0.21 0.59 1.96 0.00 0.00 0.00 179.25 181.55 1m90 h GLN 6 N 0.07 1.12 -0.65 0.00 7.50 -1.79 -0.76 115.11 120.61 1m90 h GLN 6 Ca 0.05 -0.07 0.08 0.00 0.50 0.00 0.00 58.65 59.21 1m90 h GLN 6 Cb 0.19 -0.25 -0.06 0.00 0.05 0.00 0.00 27.48 27.40 1m90 h GLN 6 CO -0.00 0.74 0.31 0.87 -1.50 0.00 0.00 178.83 179.25 1m90 h LYS 7 N 1.16 0.53 -0.38 1.46 1.79 -0.82 0.61 116.57 120.92 1m90 h LYS 7 Ca 0.34 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.68 1m90 h LYS 7 Cb -0.05 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 1m90 h LYS 7 CO -0.09 0.35 -0.18 -0.09 -1.08 0.00 0.00 179.45 178.36 1m90 h ARG 8 N 0.55 0.72 -0.14 3.15 2.43 -0.66 -1.09 114.38 119.33 1m90 h ARG 8 Ca 0.31 -0.26 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1m90 h ARG 8 Cb 0.31 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1m90 h ARG 8 CO -0.25 0.85 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.45 1m90 h LEU 9 N 0.64 0.73 -0.38 3.80 3.38 0.05 -3.03 115.31 120.50 1m90 h LEU 9 Ca 0.10 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1m90 h LEU 9 Cb 0.65 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1m90 h LEU 9 CO 0.05 1.22 0.24 0.00 0.09 0.00 0.00 178.44 180.04 1m90 h ALA 10 N 0.53 0.48 -0.79 1.53 0.00 0.27 0.94 119.26 122.22 1m90 h ALA 10 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1m90 h ALA 10 Cb 1.17 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1m90 h ALA 10 CO 0.11 -0.05 0.38 0.00 0.00 0.00 0.00 179.25 179.70 1m90 h ALA 11 N 1.13 1.14 -0.04 0.00 0.00 -1.23 0.23 119.26 120.49 1m90 h ALA 11 Ca 0.14 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1m90 h ALA 11 Cb -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1m90 h ALA 11 CO -0.03 -0.09 -0.76 0.22 0.00 0.00 0.00 179.25 178.59 1m90 h ASP 12 N 0.59 0.73 -0.07 0.00 1.82 -1.30 0.26 116.42 118.45 1m90 h ASP 12 Ca 0.42 -0.72 -0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1m90 h ASP 12 Cb 0.55 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1m90 h ASP 12 CO -0.34 1.35 0.02 1.62 -1.61 0.00 0.00 179.24 180.28 1m90 h VAL 13 N 0.18 1.15 0.00 2.25 3.04 -0.37 -2.07 116.25 120.44 1m90 h VAL 13 Ca -0.09 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1m90 h VAL 13 Cb 1.43 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 32.05 1m90 h VAL 13 CO 0.15 0.13 0.00 0.18 -1.01 0.00 0.00 177.57 177.02 1m90 n LEU 14 N -4.94 0.57 -3.37 3.16 4.77 0.77 -4.92 117.00 113.04 1m90 n LEU 14 Ca -0.06 0.62 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 1m90 n LEU 14 Cb 0.12 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 40.75 1m90 n LEU 14 CO 0.34 -0.44 0.01 -0.67 -1.33 0.00 0.00 177.39 175.31 1m90 n ASP 15 N -2.11 -5.72 -3.88 -1.43 -0.08 0.06 -5.02 116.55 98.37 1m90 n ASP 15 Ca 0.03 -0.77 -0.09 0.00 -1.51 0.00 0.00 54.79 52.45 1m90 n ASP 15 Cb 0.26 -4.81 -0.07 0.00 2.34 0.00 0.00 41.12 38.84 1m90 n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1m90 s VAL 16 N -3.42 0.10 0.32 5.18 1.01 0.69 -5.02 120.40 119.27 1m90 s VAL 16 Ca 0.40 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 1m90 s VAL 16 Cb -0.07 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 1m90 s VAL 16 CO 0.77 -0.46 1.41 -0.83 0.00 0.00 0.00 175.10 175.99 1m90 s GLY 17 N -2.90 2.74 0.39 4.51 0.00 -1.26 -4.48 107.32 106.32 1m90 s GLY 17 Ca 0.10 1.38 0.18 0.00 0.00 0.00 0.00 44.72 46.38 1m90 s GLY 17 CO -0.06 2.15 1.76 0.50 0.00 0.00 0.00 173.10 177.44 1m90 h LYS 18 N 3.83 0.39 0.00 2.90 1.57 -1.89 0.33 116.57 123.70 1m90 h LYS 18 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1m90 h LYS 18 Cb 1.23 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1m90 h LYS 18 CO 0.69 0.26 0.00 0.09 -0.57 0.00 0.00 179.45 179.92 1m90 n ASN 19 N -4.67 0.18 -0.00 0.86 3.02 -1.26 -2.04 115.26 111.36 1m90 n ASN 19 Ca 0.26 0.56 0.09 0.00 -0.03 0.00 0.00 54.58 55.46 1m90 n ASN 19 Cb 0.89 -0.59 -0.11 0.00 -0.61 0.00 0.00 39.78 39.35 1m90 n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1m90 n ARG 20 N -1.72 0.41 -2.55 3.52 1.74 0.12 -4.94 116.66 113.24 1m90 n ARG 20 Ca 0.02 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.69 1m90 n ARG 20 Cb 0.12 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1m90 n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1m90 s VAL 21 N -2.88 3.73 -0.07 1.55 -7.23 -0.86 0.25 120.40 114.87 1m90 s VAL 21 Ca 0.07 1.66 0.05 0.00 -1.81 0.00 0.00 61.98 61.96 1m90 s VAL 21 Cb 0.15 -4.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 1m90 s VAL 21 CO 0.82 0.36 -0.22 0.86 -0.31 0.00 0.00 175.10 176.61 1m90 s TRP 22 N -0.89 2.53 -0.18 2.82 -0.00 0.16 -4.90 118.94 118.47 1m90 s TRP 22 Ca 0.45 -0.73 -0.01 0.00 -0.00 0.00 0.00 56.10 55.82 1m90 s TRP 22 Cb -0.30 -1.65 0.00 0.00 -0.00 0.00 0.00 33.47 31.52 1m90 s TRP 22 CO 0.37 -0.22 -0.14 -0.06 -0.00 0.00 0.00 176.95 176.90 1m90 s PHE 23 N -0.06 2.83 -0.13 5.86 0.08 -1.26 -1.32 117.98 123.98 1m90 s PHE 23 Ca -0.06 -1.25 -0.35 0.00 0.12 0.00 0.00 56.93 55.40 1m90 s PHE 23 Cb -0.15 -1.96 -0.12 0.00 -0.57 0.00 0.00 43.02 40.23 1m90 s PHE 23 CO 0.05 -0.63 1.91 -1.71 -0.10 0.00 0.00 175.22 174.74 1m90 n ASN 24 N 4.49 3.26 0.24 1.36 2.85 -0.32 -4.82 115.26 122.31 1m90 n ASN 24 Ca -0.20 0.91 0.18 0.00 -0.11 0.00 0.00 54.58 55.36 1m90 n ASN 24 Cb 0.51 -1.35 0.87 0.00 1.24 0.00 0.00 39.78 41.05 1m90 n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1m90 h PRO 25 N 9.53 0.00 -0.04 1.20 0.11 -1.97 -0.93 132.00 139.88 1m90 h PRO 25 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1m90 h PRO 25 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1m90 h PRO 25 CO 0.96 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.14 1m90 n GLU 26 N -3.52 1.52 -0.94 1.05 1.02 -1.26 -4.04 120.64 114.48 1m90 n GLU 26 Ca 0.01 -0.77 0.05 0.00 -0.02 0.00 0.00 57.16 56.43 1m90 n GLU 26 Cb 0.34 -1.45 0.12 0.00 -0.02 0.00 0.00 31.44 30.42 1m90 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1m90 n ARG 27 N -0.05 0.88 -0.22 3.49 1.74 -0.36 -4.80 116.66 117.34 1m90 n ARG 27 Ca 0.19 -2.67 -0.03 0.00 -0.77 0.00 0.00 57.85 54.57 1m90 n ARG 27 Cb 0.29 -0.92 0.07 0.00 -1.02 0.00 0.00 32.46 30.89 1m90 n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1m90 h GLN 28 N 0.92 0.70 -0.92 5.56 4.20 -1.70 0.40 115.11 124.27 1m90 h GLN 28 Ca -0.09 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.69 1m90 h GLN 28 Cb 1.38 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.92 1m90 h GLN 28 CO 0.04 0.46 0.56 0.78 -0.67 0.00 0.00 178.83 180.00 1m90 h GLY 29 N 0.72 1.48 1.04 3.46 0.00 -1.92 0.82 103.07 108.68 1m90 h GLY 29 Ca 0.26 -0.37 -0.22 0.00 0.00 0.00 0.00 47.33 47.00 1m90 h GLY 29 CO -0.13 0.14 -0.88 -0.55 0.00 0.00 0.00 176.54 175.12 1m90 h ASP 30 N 0.89 0.77 0.10 0.19 3.32 -1.70 -3.05 116.42 116.94 1m90 h ASP 30 Ca 0.46 -0.75 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 1m90 h ASP 30 Cb 0.45 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1m90 h ASP 30 CO -0.26 1.42 -0.33 0.40 -1.72 0.00 0.00 179.24 178.75 1m90 h ILE 31 N 0.20 1.28 -0.89 0.35 2.04 -0.44 -2.68 117.51 117.37 1m90 h ILE 31 Ca -0.11 -1.36 0.07 0.00 1.00 0.00 0.00 64.86 64.46 1m90 h ILE 31 Cb 1.55 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 39.08 1m90 h ILE 31 CO 0.17 0.42 0.55 0.00 0.00 0.00 0.00 178.15 179.29 1m90 h ALA 32 N 1.37 1.23 0.00 1.87 0.00 0.65 -0.08 119.26 124.30 1m90 h ALA 32 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1m90 h ALA 32 Cb 0.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1m90 h ALA 32 CO 0.06 0.29 0.00 -0.25 0.00 0.00 0.00 179.25 179.35 1m90 n ASP 33 N -4.61 0.30 -4.61 0.00 8.00 -1.02 -4.70 116.55 109.91 1m90 n ASP 33 Ca 0.13 0.55 -0.43 0.00 0.71 0.00 0.00 54.79 55.76 1m90 n ASP 33 Cb 0.19 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1m90 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1m90 s ALA 34 N -3.09 3.04 -0.14 2.24 0.00 -0.04 -4.80 121.76 118.97 1m90 s ALA 34 Ca 0.09 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1m90 s ALA 34 Cb 0.13 -3.95 -0.13 0.00 0.00 0.00 0.00 23.12 19.17 1m90 s ALA 34 CO 0.43 -2.35 -0.04 -0.89 0.00 0.00 0.00 175.76 172.91 1m90 n ILE 35 N 7.01 0.85 -3.90 0.00 2.08 -1.26 -4.84 119.36 119.30 1m90 n ILE 35 Ca 0.22 -0.43 -0.21 0.00 0.56 0.00 0.00 62.75 62.88 1m90 n ILE 35 Cb 0.46 -0.85 -0.04 0.00 -0.75 0.00 0.00 39.64 38.46 1m90 n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1m90 s THR 36 N -2.30 3.72 0.32 1.39 -4.23 -1.26 -4.99 115.64 108.28 1m90 s THR 36 Ca -0.13 -1.40 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1m90 s THR 36 Cb 0.04 -3.22 0.24 0.00 1.34 0.00 0.00 72.50 70.91 1m90 s THR 36 CO 0.43 -0.22 1.96 0.03 -0.54 0.00 0.00 174.62 176.28 1m90 h ARG 37 N 1.32 0.94 -0.61 3.99 3.08 -1.97 -0.62 114.38 120.51 1m90 h ARG 37 Ca -0.46 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 1m90 h ARG 37 Cb 1.25 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1m90 h ARG 37 CO 0.59 0.66 0.07 1.49 -1.07 0.00 0.00 179.97 181.71 1m90 h GLU 38 N 0.96 1.01 -0.77 0.04 4.57 -1.99 -0.91 114.58 117.48 1m90 h GLU 38 Ca 0.25 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1m90 h GLU 38 Cb -0.05 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 1m90 h GLU 38 CO -0.05 0.94 0.51 -0.44 -1.18 0.00 0.00 179.01 178.80 1m90 h ASP 39 N 0.94 0.87 0.33 1.04 3.32 -1.55 -2.08 116.42 119.29 1m90 h ASP 39 Ca 0.19 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1m90 h ASP 39 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1m90 h ASP 39 CO 0.01 0.63 -0.16 0.58 -1.72 0.00 0.00 179.24 178.59 1m90 h VAL 40 N 1.03 0.65 -0.99 -1.35 2.07 -0.46 -2.64 116.25 114.56 1m90 h VAL 40 Ca 0.29 -0.60 0.20 0.00 0.82 0.00 0.00 66.70 67.41 1m90 h VAL 40 Cb -0.09 0.93 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1m90 h VAL 40 CO -0.07 0.11 0.62 0.03 0.02 0.00 0.00 177.57 178.28 1m90 h ARG 41 N -0.80 0.61 -0.09 1.57 3.08 -1.00 0.14 114.38 117.90 1m90 h ARG 41 Ca -0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1m90 h ARG 41 Cb 0.52 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1m90 h ARG 41 CO 0.07 0.41 0.04 1.49 -1.07 0.00 0.00 179.97 180.91 1m90 h GLU 42 N 0.63 0.12 -0.08 0.04 4.81 -1.33 -0.07 114.58 118.71 1m90 h GLU 42 Ca 0.56 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.73 1m90 h GLU 42 Cb 1.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1m90 h GLU 42 CO -0.32 0.20 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.96 1m90 h LEU 43 N 0.01 0.11 -0.36 1.64 3.38 -0.70 -1.68 115.31 117.73 1m90 h LEU 43 Ca 0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1m90 h LEU 43 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1m90 h LEU 43 CO -0.00 0.26 0.09 0.58 0.09 0.00 0.00 178.44 179.46 1m90 h VAL 44 N 0.12 1.22 0.00 1.22 2.07 -0.09 -0.65 116.25 120.14 1m90 h VAL 44 Ca 0.02 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1m90 h VAL 44 Cb 0.31 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1m90 h VAL 44 CO 0.02 0.26 -0.13 0.44 0.02 0.00 0.00 177.57 178.17 1m90 h ASP 45 N 0.42 0.00 -0.12 0.57 3.32 -0.17 0.27 116.42 120.71 1m90 h ASP 45 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1m90 h ASP 45 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1m90 h ASP 45 CO 0.00 0.13 0.00 -0.62 -1.72 0.00 0.00 179.24 177.04 1m90 n GLU 46 N -3.90 1.52 -0.90 3.56 1.02 -0.74 -4.89 120.64 116.31 1m90 n GLU 46 Ca -0.02 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1m90 n GLU 46 Cb 0.23 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1m90 n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m90 n GLY 47 N 1.03 0.25 0.19 0.62 0.00 0.95 -4.83 105.19 103.40 1m90 n GLY 47 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1m90 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m90 h ALA 48 N 0.00 1.39 -3.27 4.61 0.00 -1.33 -3.41 119.26 117.25 1m90 h ALA 48 Ca 0.00 -0.33 -0.67 0.00 0.00 0.00 0.00 54.91 53.91 1m90 h ALA 48 Cb 0.42 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 17.83 1m90 h ALA 48 CO 0.00 0.46 -0.85 0.42 0.00 0.00 0.00 179.25 179.28 1m90 s ILE 49 N -4.24 2.30 0.23 0.00 1.01 -1.17 -1.17 121.20 118.15 1m90 s ILE 49 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1m90 s ILE 49 Cb 0.14 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1m90 s ILE 49 CO 0.73 0.54 0.19 -1.10 0.00 0.00 0.00 174.94 175.30 1m90 s GLN 50 N 0.55 1.36 -0.15 2.79 -0.21 -0.44 -4.49 119.66 119.08 1m90 s GLN 50 Ca -0.12 -1.69 0.00 0.00 0.02 0.00 0.00 55.36 53.57 1m90 s GLN 50 Cb -0.17 0.30 -0.00 0.00 1.00 0.00 0.00 33.01 34.14 1m90 s GLN 50 CO 0.04 -0.47 -0.16 0.00 -2.12 0.00 0.00 175.29 172.58 1m90 s ALA 51 N -3.97 2.49 0.84 6.09 0.00 -1.26 0.41 121.76 126.36 1m90 s ALA 51 Ca 0.38 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 1m90 s ALA 51 Cb 0.05 -1.19 0.10 0.00 0.00 0.00 0.00 23.12 22.09 1m90 s ALA 51 CO 0.15 0.04 1.09 0.21 0.00 0.00 0.00 175.76 177.26 1m90 s LYS 52 N 0.69 1.67 0.04 0.00 2.47 0.14 -4.96 119.74 119.79 1m90 s LYS 52 Ca -0.07 1.01 -0.21 0.00 -1.56 0.00 0.00 55.97 55.14 1m90 s LYS 52 Cb -0.16 -1.84 -0.06 0.00 -1.46 0.00 0.00 37.83 34.31 1m90 s LYS 52 CO 0.02 -2.01 0.61 -0.51 0.16 0.00 0.00 175.35 173.62 1m90 s ASP 53 N -3.37 7.06 0.14 1.43 1.01 -1.26 -4.96 116.67 116.72 1m90 s ASP 53 Ca 0.63 1.25 -0.29 0.00 0.71 0.00 0.00 52.55 54.85 1m90 s ASP 53 Cb -0.18 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1m90 s ASP 53 CO 0.57 0.17 0.90 -1.59 0.21 0.00 0.00 175.17 175.43 1m90 s LYS 54 N -0.59 4.69 0.64 8.23 -2.85 -1.26 -5.04 119.74 123.57 1m90 s LYS 54 Ca 0.31 1.37 -0.06 0.00 -1.00 0.00 0.00 55.97 56.59 1m90 s LYS 54 Cb -0.19 -3.34 0.03 0.00 -2.06 0.00 0.00 37.83 32.27 1m90 s LYS 54 CO 0.19 0.34 0.95 -1.59 0.10 0.00 0.00 175.35 175.35 1m90 s LYS 55 N -0.44 2.60 0.00 1.78 -2.85 -1.26 -5.10 119.74 114.48 1m90 s LYS 55 Ca 0.43 -0.11 -0.00 0.00 -1.00 0.00 0.00 55.97 55.29 1m90 s LYS 55 Cb -0.24 -2.22 -0.00 0.00 -2.06 0.00 0.00 37.83 33.31 1m90 s LYS 55 CO 0.29 -0.95 -0.00 0.20 0.10 0.00 0.00 175.35 174.99 1m90 s GLY 56 N -4.40 0.05 0.27 0.59 0.00 -1.26 -5.12 107.32 97.45 1m90 s GLY 56 Ca 0.57 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 1m90 s GLY 56 CO 0.45 -0.14 1.44 -1.31 0.00 0.00 0.00 173.10 173.53 1m90 s ASN 57 N -0.33 6.62 0.18 1.64 -0.87 -1.26 -4.95 114.94 115.97 1m90 s ASN 57 Ca -0.04 2.72 -0.30 0.00 -1.57 0.00 0.00 52.86 53.68 1m90 s ASN 57 Cb -0.02 -2.63 -0.08 0.00 -0.02 0.00 0.00 41.25 38.50 1m90 s ASN 57 CO -0.00 -0.71 1.21 -0.44 -2.57 0.00 0.00 177.10 174.59 1m90 s SER 58 N 0.21 7.07 -0.04 -1.22 0.01 -1.26 -4.92 113.70 113.55 1m90 s SER 58 Ca 0.58 2.24 0.16 0.00 1.31 0.00 0.00 55.95 60.23 1m90 s SER 58 Cb -0.42 -2.61 0.49 0.00 0.21 0.00 0.00 66.02 63.69 1m90 s SER 58 CO 0.47 -0.39 1.41 0.54 0.41 0.00 0.00 173.24 175.67 1m90 n ARG 59 N 2.57 3.00 0.21 12.44 1.74 -1.26 -4.67 116.66 130.68 1m90 n ARG 59 Ca 0.05 -2.44 -0.17 0.00 -0.77 0.00 0.00 57.85 54.52 1m90 n ARG 59 Cb 0.45 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 1m90 n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1m90 h GLY 60 N 2.91 -1.12 2.00 -0.13 0.00 -2.00 0.83 103.07 105.56 1m90 h GLY 60 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1m90 h GLY 60 CO 0.07 -0.32 -0.05 3.21 0.00 0.00 0.00 176.54 179.45 1m90 h ARG 61 N -0.86 0.00 -0.27 4.80 3.08 -2.01 -1.41 114.38 117.72 1m90 h ARG 61 Ca -0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1m90 h ARG 61 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1m90 h ARG 61 CO -0.16 0.05 -0.16 0.00 -1.07 0.00 0.00 179.97 178.63 1m90 h ALA 62 N 1.95 0.38 -0.55 0.04 0.00 -1.58 -2.59 119.26 116.91 1m90 h ALA 62 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1m90 h ALA 62 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1m90 h ALA 62 CO 0.01 0.28 0.03 0.00 0.00 0.00 0.00 179.25 179.56 1m90 h ARG 63 N 0.31 0.92 -0.27 0.00 3.08 0.18 0.25 114.38 118.85 1m90 h ARG 63 Ca 0.05 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1m90 h ARG 63 Cb 0.69 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1m90 h ARG 63 CO 0.05 0.89 0.14 0.93 -1.07 0.00 0.00 179.97 180.91 1m90 h GLU 64 N 0.85 0.38 -0.53 0.04 5.08 -1.37 -0.99 114.58 118.03 1m90 h GLU 64 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1m90 h GLU 64 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1m90 h GLU 64 CO 0.02 0.36 0.34 -0.09 -1.00 0.00 0.00 179.01 178.64 1m90 h ARG 65 N 0.31 0.72 -0.73 2.33 2.43 -1.09 -1.75 114.38 116.60 1m90 h ARG 65 Ca 0.09 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1m90 h ARG 65 Cb 0.10 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 1m90 h ARG 65 CO -0.01 0.50 0.48 1.96 -1.51 0.00 0.00 179.97 181.39 1m90 h GLN 66 N 0.72 0.67 0.08 0.20 4.20 -0.18 -1.46 115.11 119.34 1m90 h GLN 66 Ca 0.19 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1m90 h GLN 66 Cb -0.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1m90 h GLN 66 CO -0.04 0.44 -0.04 0.87 -0.67 0.00 0.00 178.83 179.39 1m90 h LYS 67 N 0.69 -0.10 -0.62 1.46 1.57 -0.35 -1.23 116.57 117.99 1m90 h LYS 67 Ca 0.33 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.20 1m90 h LYS 67 Cb 0.38 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 1m90 h LYS 67 CO -0.11 0.31 0.27 0.87 -0.57 0.00 0.00 179.45 180.21 1m90 h LYS 68 N -0.54 0.47 -0.05 3.15 1.79 -1.03 -0.63 116.57 119.74 1m90 h LYS 68 Ca -0.01 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 1m90 h LYS 68 Cb 0.46 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1m90 h LYS 68 CO 0.02 0.31 -0.44 0.00 -1.08 0.00 0.00 179.45 178.26 1m90 h ARG 69 N 0.48 0.10 0.00 3.15 3.08 -1.27 0.28 114.38 120.21 1m90 h ARG 69 Ca 0.30 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 1m90 h ARG 69 Cb 0.32 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1m90 h ARG 69 CO -0.26 0.52 -0.63 0.00 -1.07 0.00 0.00 179.97 178.52 1m90 h ALA 70 N 1.47 0.83 0.00 0.04 0.00 -0.52 -2.46 119.26 118.63 1m90 h ALA 70 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1m90 h ALA 70 Cb 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1m90 h ALA 70 CO 0.06 0.79 0.00 1.17 0.00 0.00 0.00 179.25 181.27 1m90 n LYS 71 N -3.61 0.09 0.00 0.00 3.00 -0.31 -4.91 118.16 112.42 1m90 n LYS 71 Ca -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 1m90 n LYS 71 Cb 0.67 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 34.08 1m90 n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1m90 n GLY 72 N 1.25 0.87 4.00 3.14 0.00 -0.69 -5.08 105.19 108.68 1m90 n GLY 72 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1m90 n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1m90 s HIS 73 N -2.00 2.77 -1.30 1.61 3.76 0.92 -4.63 115.29 116.42 1m90 s HIS 73 Ca 0.00 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.44 1m90 s HIS 73 Cb 0.00 -2.37 0.01 0.00 1.11 0.00 0.00 32.58 31.33 1m90 s HIS 73 CO 0.00 -0.42 1.11 1.04 -0.85 0.00 0.00 174.74 175.62 1m90 n GLN 74 N -1.84 -7.44 -2.17 1.40 6.02 -1.26 -3.44 117.38 108.65 1m90 n GLN 74 Ca 0.08 0.83 0.01 0.00 -0.01 0.00 0.00 57.00 57.91 1m90 n GLN 74 Cb 0.59 -5.87 0.04 0.00 1.02 0.00 0.00 30.24 26.01 1m90 n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1m90 n LYS 75 N -4.67 0.90 -1.97 -1.09 5.02 -1.26 -4.91 118.16 110.18 1m90 n LYS 75 Ca -0.11 -2.51 -0.29 0.00 -2.02 0.00 0.00 58.31 53.39 1m90 n LYS 75 Cb 0.60 -0.63 0.07 0.00 -0.02 0.00 0.00 35.03 35.06 1m90 n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1m90 s GLY 76 N -2.64 1.62 0.38 0.72 0.00 -1.26 -4.81 107.32 101.33 1m90 s GLY 76 Ca 0.26 -0.64 0.21 0.00 0.00 0.00 0.00 44.72 44.55 1m90 s GLY 76 CO -0.09 -0.20 1.62 0.00 0.00 0.00 0.00 173.10 174.43 1m90 h ALA 77 N -0.85 2.26 0.00 3.20 0.00 -1.99 1.00 119.26 122.88 1m90 h ALA 77 Ca -0.45 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1m90 h ALA 77 Cb 1.31 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1m90 h ALA 77 CO 0.64 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 179.36 1m90 n GLY 78 N -1.34 -1.04 0.09 0.00 0.00 -1.26 -2.96 105.19 98.67 1m90 n GLY 78 Ca 0.36 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.37 1m90 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1m90 n SER 79 N -1.41 0.88 -4.83 1.61 7.64 0.35 -4.97 113.62 112.90 1m90 n SER 79 Ca 0.06 -0.94 -0.36 0.00 1.01 0.00 0.00 58.87 58.64 1m90 n SER 79 Cb 0.19 0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 64.19 1m90 n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1m90 s ARG 80 N -2.17 4.12 0.00 1.43 0.52 -1.12 -4.93 118.95 116.80 1m90 s ARG 80 Ca 0.07 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1m90 s ARG 80 Cb 0.11 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1m90 s ARG 80 CO 0.52 0.50 0.00 1.17 0.02 0.00 0.00 175.30 177.51 1m90 n LYS 81 N 1.03 1.06 -2.57 3.54 3.00 -1.26 -5.02 118.16 117.93 1m90 n LYS 81 Ca -0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 57.97 1m90 n LYS 81 Cb 0.51 -0.91 -0.00 0.00 0.00 0.00 0.00 35.03 34.64 1m90 n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1m90 s GLY 82 N -3.42 1.54 0.83 3.14 0.00 -1.26 -5.06 107.32 103.08 1m90 s GLY 82 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.17 1m90 s GLY 82 CO 0.00 -0.27 1.11 1.25 0.00 0.00 0.00 173.10 175.19 1m90 s LYS 83 N -4.74 1.76 0.13 2.90 2.47 -1.26 -4.74 119.74 116.26 1m90 s LYS 83 Ca 0.48 1.32 -0.26 0.00 -1.56 0.00 0.00 55.97 55.95 1m90 s LYS 83 Cb -0.10 -1.83 -0.04 0.00 -1.46 0.00 0.00 37.83 34.39 1m90 s LYS 83 CO 0.45 -2.04 1.63 0.00 0.16 0.00 0.00 175.35 175.55 1m90 h ALA 84 N -1.43 -0.36 0.00 3.13 0.00 -1.97 0.61 119.26 119.24 1m90 h ALA 84 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1m90 h ALA 84 Cb 1.25 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1m90 h ALA 84 CO 0.47 -0.77 0.14 0.78 0.00 0.00 0.00 179.25 179.87 1m90 h GLY 85 N -0.40 0.00 1.13 0.00 0.00 -1.92 -0.32 103.07 101.55 1m90 h GLY 85 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.10 1m90 h GLY 85 CO -0.26 0.00 -1.32 0.00 0.00 0.00 0.00 176.54 174.97 1m90 h ALA 86 N 1.71 -0.14 -0.01 3.60 0.00 -1.25 -3.26 119.26 119.91 1m90 h ALA 86 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 1m90 h ALA 86 Cb 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1m90 h ALA 86 CO 0.00 0.62 -0.54 0.00 0.00 0.00 0.00 179.25 179.33 1m90 h ARG 87 N 0.04 0.03 -2.64 0.00 3.08 -0.13 -3.42 114.38 111.34 1m90 h ARG 87 Ca -0.23 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.56 1m90 h ARG 87 Cb 2.04 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 31.76 1m90 h ARG 87 CO 0.25 0.56 -0.56 -1.14 -1.07 0.00 0.00 179.97 178.01 1m90 s GLN 88 N -3.82 0.18 -0.35 0.04 0.74 -0.55 -5.12 119.66 110.78 1m90 s GLN 88 Ca -0.02 0.55 -0.28 0.00 0.05 0.00 0.00 55.36 55.66 1m90 s GLN 88 Cb 0.13 -0.46 -0.02 0.00 1.10 0.00 0.00 33.01 33.76 1m90 s GLN 88 CO 0.75 -0.45 1.82 1.21 -0.55 0.00 0.00 175.29 178.08 1m90 s ASN 89 N 2.40 5.81 0.41 6.67 3.84 -1.23 -4.34 114.94 128.51 1m90 s ASN 89 Ca 0.04 1.23 0.13 0.00 0.21 0.00 0.00 52.86 54.47 1m90 s ASN 89 Cb -0.14 -2.53 0.98 0.00 -0.55 0.00 0.00 41.25 39.02 1m90 s ASN 89 CO -0.10 -1.79 1.92 0.77 -2.79 0.00 0.00 177.10 175.11 1m90 h SER 90 N 13.17 0.46 -0.15 -4.21 4.64 -1.94 0.14 113.55 125.67 1m90 h SER 90 Ca -0.33 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 60.89 1m90 h SER 90 Cb 1.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1m90 h SER 90 CO 1.05 0.25 -0.38 0.50 -0.87 0.00 0.00 176.83 177.37 1m90 h LYS 91 N 0.50 0.52 -0.72 4.77 3.11 -1.97 -2.03 116.57 120.75 1m90 h LYS 91 Ca 0.37 -0.36 0.01 0.00 -2.81 0.00 0.00 60.65 57.86 1m90 h LYS 91 Cb 0.75 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.00 1m90 h LYS 91 CO -0.13 0.98 0.47 1.49 -2.81 0.00 0.00 179.45 179.45 1m90 h GLU 92 N 0.14 0.93 -0.37 1.90 4.81 -1.70 -1.46 114.58 118.83 1m90 h GLU 92 Ca -0.01 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1m90 h GLU 92 Cb 1.00 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1m90 h GLU 92 CO 0.08 0.62 -0.08 0.22 -0.73 0.00 0.00 179.01 179.12 1m90 h ASP 93 N 0.96 0.61 -0.37 1.04 3.58 -0.72 -1.61 116.42 119.91 1m90 h ASP 93 Ca 0.27 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 1m90 h ASP 93 Cb -0.09 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1m90 h ASP 93 CO -0.07 0.74 -0.17 -0.25 -2.88 0.00 0.00 179.24 176.61 1m90 h TRP 94 N 0.59 0.94 -0.61 0.28 2.91 -0.71 -1.52 115.95 117.83 1m90 h TRP 94 Ca 0.11 -0.20 -0.06 0.00 1.13 0.00 0.00 58.89 59.87 1m90 h TRP 94 Cb 0.49 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 1m90 h TRP 94 CO 0.02 0.94 0.14 0.93 -1.03 0.00 0.00 178.44 179.44 1m90 h GLU 95 N 0.74 0.95 0.90 2.65 5.08 -0.81 0.64 114.58 124.74 1m90 h GLU 95 Ca 0.11 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1m90 h GLU 95 Cb 0.69 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1m90 h GLU 95 CO 0.05 0.85 -0.45 1.03 -1.00 0.00 0.00 179.01 179.50 1m90 h SER 96 N 0.91 -1.06 0.11 1.42 0.87 -0.88 -1.74 113.55 113.17 1m90 h SER 96 Ca 0.19 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1m90 h SER 96 Cb 0.34 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1m90 h SER 96 CO 0.00 -0.75 -0.11 0.03 -0.53 0.00 0.00 176.83 175.48 1m90 h ARG 97 N -1.23 -0.23 0.00 2.24 3.08 -1.13 -1.99 114.38 115.12 1m90 h ARG 97 Ca -0.12 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1m90 h ARG 97 Cb 0.95 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1m90 h ARG 97 CO 0.20 -0.15 -0.14 0.97 -1.07 0.00 0.00 179.97 179.77 1m90 h ILE 98 N -0.24 0.70 0.04 2.04 -0.00 -0.91 -0.76 117.51 118.38 1m90 h ILE 98 Ca 0.00 -0.59 -0.24 0.00 -0.00 0.00 0.00 64.86 64.03 1m90 h ILE 98 Cb 0.23 1.36 0.02 0.00 -0.00 0.00 0.00 36.82 38.43 1m90 h ILE 98 CO -0.03 0.14 -0.97 0.03 -0.00 0.00 0.00 178.15 177.32 1m90 h ARG 99 N 0.00 0.59 -0.29 2.19 3.08 -1.06 -2.07 114.38 116.83 1m90 h ARG 99 Ca -0.00 -0.69 0.01 0.00 0.07 0.00 0.00 59.98 59.37 1m90 h ARG 99 Cb 0.35 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1m90 h ARG 99 CO 0.02 1.28 0.17 0.00 -1.07 0.00 0.00 179.97 180.37 1m90 h ALA 100 N 0.34 0.36 -0.82 0.04 0.00 -0.73 0.89 119.26 119.33 1m90 h ALA 100 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1m90 h ALA 100 Cb 1.65 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 1m90 h ALA 100 CO 0.19 -0.20 0.46 1.96 0.00 0.00 0.00 179.25 181.66 1m90 h GLN 101 N 0.35 1.13 -0.02 0.00 4.20 -1.19 0.10 115.11 119.68 1m90 h GLN 101 Ca 0.11 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1m90 h GLN 101 Cb -0.01 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1m90 h GLN 101 CO -0.05 0.82 -0.72 0.00 -0.67 0.00 0.00 178.83 178.21 1m90 h ARG 102 N 1.14 0.11 -0.21 1.46 3.08 -0.88 -1.88 114.38 117.20 1m90 h ARG 102 Ca 0.29 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 1m90 h ARG 102 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1m90 h ARG 102 CO -0.05 0.78 -0.12 1.15 -1.07 0.00 0.00 179.97 180.67 1m90 h THR 103 N 0.07 1.31 0.13 2.04 2.02 -0.33 -1.38 112.91 116.77 1m90 h THR 103 Ca -0.02 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 65.98 1m90 h THR 103 Cb 1.27 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 1m90 h THR 103 CO 0.10 0.37 -0.47 0.50 0.37 0.00 0.00 175.52 176.39 1m90 h LYS 104 N 0.15 -0.68 -0.27 6.66 1.63 -0.86 -0.54 116.57 122.67 1m90 h LYS 104 Ca 0.05 0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1m90 h LYS 104 Cb 0.62 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1m90 h LYS 104 CO 0.03 -0.45 0.19 -0.07 -3.45 0.00 0.00 179.45 175.70 1m90 h LEU 105 N -0.71 0.10 -0.57 5.20 3.38 -1.35 -1.66 115.31 119.71 1m90 h LEU 105 Ca 0.01 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1m90 h LEU 105 Cb 0.72 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1m90 h LEU 105 CO -0.26 0.07 0.03 -0.09 0.09 0.00 0.00 178.44 178.27 1m90 h ARG 106 N 0.11 0.98 -0.07 1.13 2.43 0.03 -2.70 114.38 116.30 1m90 h ARG 106 Ca 0.12 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1m90 h ARG 106 Cb 0.35 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1m90 h ARG 106 CO -0.01 0.97 -0.06 0.93 -1.51 0.00 0.00 179.97 180.28 1m90 h GLU 107 N 0.87 0.16 -0.09 0.20 5.08 -0.31 -2.93 114.58 117.55 1m90 h GLU 107 Ca 0.16 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1m90 h GLU 107 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1m90 h GLU 107 CO 0.02 0.59 0.14 -0.07 -1.00 0.00 0.00 179.01 178.69 1m90 h LEU 108 N -0.27 0.00 0.08 1.33 3.38 -1.40 0.16 115.31 118.59 1m90 h LEU 108 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1m90 h LEU 108 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1m90 h LEU 108 CO 0.01 0.00 -0.50 -0.09 0.09 0.00 0.00 178.44 177.96 1m90 h ARG 109 N 0.00 0.16 -0.45 1.13 2.43 -1.33 -1.06 114.38 115.27 1m90 h ARG 109 Ca 0.04 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 58.83 1m90 h ARG 109 Cb 0.32 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1m90 h ARG 109 CO -0.00 1.13 -0.13 -0.44 -1.51 0.00 0.00 179.97 179.02 1m90 h ASP 110 N -0.66 0.89 -0.03 -3.80 3.32 -1.27 -2.09 116.42 112.79 1m90 h ASP 110 Ca -0.09 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1m90 h ASP 110 Cb 1.36 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 1m90 h ASP 110 CO 0.07 1.06 0.19 -0.08 -1.72 0.00 0.00 179.24 178.76 1m90 h GLU 111 N 0.72 0.00 0.00 3.56 4.81 -0.79 -3.46 114.58 119.42 1m90 h GLU 111 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1m90 h GLU 111 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1m90 h GLU 111 CO 0.05 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.74 1m90 n GLY 112 N -1.19 3.46 0.36 1.92 0.00 -0.79 -4.94 105.19 104.01 1m90 n GLY 112 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.18 1m90 n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1m90 h THR 113 N 0.00 0.55 -4.00 2.61 2.02 -1.47 -3.41 112.91 109.21 1m90 h THR 113 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 1m90 h THR 113 Cb 0.00 0.77 -0.31 0.00 -1.74 0.00 0.00 68.15 66.87 1m90 h THR 113 CO 0.00 0.00 -0.84 -0.76 0.37 0.00 0.00 175.52 174.29 1m90 s LEU 114 N -7.94 1.95 0.33 2.58 1.43 -0.61 -5.00 118.68 111.42 1m90 s LEU 114 Ca -0.05 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 1m90 s LEU 114 Cb 0.17 -0.99 -0.10 0.00 0.03 0.00 0.00 46.19 45.30 1m90 s LEU 114 CO 0.60 0.17 0.91 -0.94 0.23 0.00 0.00 176.35 177.32 1m90 s SER 115 N -0.07 7.21 0.00 2.29 1.04 -1.26 -4.55 113.70 118.37 1m90 s SER 115 Ca -0.02 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1m90 s SER 115 Cb -0.11 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1m90 s SER 115 CO 0.02 -0.11 0.68 -1.54 0.98 0.00 0.00 173.24 173.27 1m90 n SER 116 N 0.35 0.00 -0.08 7.02 3.41 -1.26 -0.09 113.62 122.97 1m90 n SER 116 Ca 0.02 0.21 -0.17 0.00 -0.26 0.00 0.00 58.87 58.67 1m90 n SER 116 Cb 0.51 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 1m90 n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1m90 n SER 117 N -1.18 1.62 -0.06 4.04 3.41 -1.26 -3.00 113.62 117.20 1m90 n SER 117 Ca 0.00 0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 1m90 n SER 117 Cb 0.23 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 1m90 n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1m90 h GLN 118 N 0.02 0.35 -0.05 4.33 4.20 -0.86 -0.97 115.11 122.13 1m90 h GLN 118 Ca -0.51 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.08 1m90 h GLN 118 Cb 2.00 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 29.72 1m90 h GLN 118 CO -0.01 0.68 -0.44 -0.92 -0.67 0.00 0.00 178.83 177.48 1m90 h TYR 119 N 0.02 -1.25 -0.68 2.96 3.20 -1.34 0.19 116.97 120.08 1m90 h TYR 119 Ca 0.03 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.09 1m90 h TYR 119 Cb 0.59 0.55 -0.10 0.00 1.54 0.00 0.00 36.73 39.30 1m90 h TYR 119 CO 0.07 -0.50 0.12 -0.09 -1.64 0.00 0.00 178.16 176.12 1m90 h ARG 120 N -0.56 0.22 -0.18 1.82 9.65 -1.43 0.67 114.38 124.57 1m90 h ARG 120 Ca 0.05 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1m90 h ARG 120 Cb 0.65 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1m90 h ARG 120 CO -0.35 0.14 0.10 0.22 2.80 0.00 0.00 179.97 182.88 1m90 h ASP 121 N 0.22 0.22 -0.19 -3.80 1.82 -0.06 -1.70 116.42 112.94 1m90 h ASP 121 Ca 0.37 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.92 1m90 h ASP 121 Cb 0.61 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1m90 h ASP 121 CO -0.50 0.23 0.04 -0.07 -1.61 0.00 0.00 179.24 177.34 1m90 h LEU 122 N 0.19 0.29 -0.19 2.28 3.38 0.66 -2.65 115.31 119.26 1m90 h LEU 122 Ca 0.06 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1m90 h LEU 122 Cb 0.06 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 1m90 h LEU 122 CO -0.01 0.45 -0.38 0.22 0.09 0.00 0.00 178.44 178.81 1m90 h TYR 123 N 0.11 -1.07 -0.90 1.13 3.20 0.40 0.05 116.97 119.89 1m90 h TYR 123 Ca 0.06 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.08 1m90 h TYR 123 Cb 0.28 0.50 -0.08 0.00 1.54 0.00 0.00 36.73 38.97 1m90 h TYR 123 CO 0.01 -0.44 0.54 -0.44 -1.64 0.00 0.00 178.16 176.20 1m90 h ASP 124 N -0.41 0.79 0.44 -2.11 3.32 -1.30 -0.95 116.42 116.20 1m90 h ASP 124 Ca 0.10 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1m90 h ASP 124 Cb 0.59 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1m90 h ASP 124 CO -0.42 0.44 -0.42 0.11 -1.72 0.00 0.00 179.24 177.24 1m90 h LYS 125 N 0.89 0.00 -0.05 3.56 1.57 -0.89 -0.88 116.57 120.77 1m90 h LYS 125 Ca 0.43 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 1m90 h LYS 125 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1m90 h LYS 125 CO -0.25 0.42 -0.09 0.00 -0.57 0.00 0.00 179.45 178.95 1m90 h ALA 126 N 1.58 0.08 0.00 3.86 0.00 0.13 0.44 119.26 125.36 1m90 h ALA 126 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1m90 h ALA 126 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1m90 h ALA 126 CO 0.05 -0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.02 1m90 h GLY 127 N -0.33 0.00 -0.17 0.00 0.00 -1.05 0.87 103.07 102.39 1m90 h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m90 h GLY 127 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1m90 n GLY 128 N -0.82 -0.21 2.42 4.60 0.00 -0.35 -4.92 105.19 105.91 1m90 n GLY 128 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1m90 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m90 n GLY 129 N 1.12 0.21 0.11 -0.02 0.00 0.30 -4.96 105.19 101.95 1m90 n GLY 129 Ca 0.20 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1m90 n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1m90 h GLU 130 N -1.20 0.00 -5.12 1.61 4.39 -1.03 -3.46 114.58 109.76 1m90 h GLU 130 Ca -0.27 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.76 1m90 h GLU 130 Cb 1.17 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 29.50 1m90 h GLU 130 CO 0.26 0.00 -0.83 -0.06 -1.16 0.00 0.00 179.01 177.22 1m90 s PHE 131 N -3.29 2.78 0.38 4.33 0.40 -1.26 -5.01 117.98 116.30 1m90 s PHE 131 Ca 0.02 -1.32 0.09 0.00 -0.60 0.00 0.00 56.93 55.12 1m90 s PHE 131 Cb 0.10 -1.91 0.75 0.00 0.51 0.00 0.00 43.02 42.47 1m90 s PHE 131 CO 0.75 -0.64 1.90 -0.44 0.70 0.00 0.00 175.22 177.50 1m90 h ASP 132 N 7.64 0.26 -2.98 1.36 3.32 -1.91 -3.47 116.42 120.65 1m90 h ASP 132 Ca -0.39 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 1m90 h ASP 132 Cb 1.17 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1m90 h ASP 132 CO 0.60 0.42 0.14 -1.54 -1.72 0.00 0.00 179.24 177.13 1m90 n SER 133 N -4.27 -1.76 0.10 6.45 3.41 -1.26 -5.00 113.62 111.29 1m90 n SER 133 Ca -0.00 -2.45 -0.13 0.00 -0.26 0.00 0.00 58.87 56.02 1m90 n SER 133 Cb 0.27 3.00 -0.08 0.00 -0.26 0.00 0.00 64.21 67.14 1m90 n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1m90 h VAL 134 N 1.86 0.93 -0.75 -3.33 2.07 -1.90 -1.97 116.25 113.17 1m90 h VAL 134 Ca -0.27 -0.55 0.15 0.00 0.82 0.00 0.00 66.70 66.85 1m90 h VAL 134 Cb 1.06 1.26 -0.14 0.00 -1.52 0.00 0.00 31.29 31.95 1m90 h VAL 134 CO 0.35 0.13 -0.18 0.00 0.02 0.00 0.00 177.57 177.89 1m90 h ALA 135 N 0.26 0.51 -0.30 1.67 0.00 -1.99 0.96 119.26 120.38 1m90 h ALA 135 Ca -0.02 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1m90 h ALA 135 Cb 0.39 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1m90 h ALA 135 CO 0.04 -0.41 0.18 0.22 0.00 0.00 0.00 179.25 179.28 1m90 h ASP 136 N 0.00 0.35 0.21 0.00 3.58 -1.92 0.46 116.42 119.10 1m90 h ASP 136 Ca 0.36 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1m90 h ASP 136 Cb 0.56 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1m90 h ASP 136 CO -0.77 0.27 -0.10 0.25 -2.88 0.00 0.00 179.24 176.01 1m90 h LEU 137 N 0.41 -0.24 -0.43 2.28 5.85 0.16 -2.39 115.31 120.95 1m90 h LEU 137 Ca 0.11 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1m90 h LEU 137 Cb -0.02 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 1m90 h LEU 137 CO -0.02 0.24 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.84 1m90 h GLU 138 N -0.80 -0.05 -0.46 1.25 5.08 -0.13 -0.07 114.58 119.40 1m90 h GLU 138 Ca -0.03 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1m90 h GLU 138 Cb 0.51 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1m90 h GLU 138 CO 0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 179.01 177.93 1m90 h ARG 139 N -0.05 0.02 -0.77 2.33 3.08 -0.93 -1.20 114.38 116.86 1m90 h ARG 139 Ca 0.21 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1m90 h ARG 139 Cb 0.37 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 1m90 h ARG 139 CO -0.47 0.01 0.50 -0.92 -1.07 0.00 0.00 179.97 178.02 1m90 h TYR 140 N 0.02 0.99 -0.98 3.04 3.20 -0.72 -2.58 116.97 119.94 1m90 h TYR 140 Ca 0.22 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.23 1m90 h TYR 140 Cb 0.34 -0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.20 1m90 h TYR 140 CO -0.38 0.64 0.62 0.82 -1.64 0.00 0.00 178.16 178.22 1m90 h ILE 141 N 1.05 0.91 0.00 1.81 2.04 0.17 -1.27 117.51 122.22 1m90 h ILE 141 Ca 0.28 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1m90 h ILE 141 Cb -0.09 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 35.87 1m90 h ILE 141 CO -0.06 0.17 0.00 0.47 0.00 0.00 0.00 178.15 178.73 1m90 n ASP 142 N -4.60 4.48 0.00 1.72 8.00 -0.95 -5.11 116.55 120.08 1m90 n ASP 142 Ca 0.18 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1m90 n ASP 142 Cb 0.36 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1m90 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81