#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 s GLN 2 N 0.00 0.97 0.41 2.12 -0.21 -1.26 -4.93 119.66 116.76 1m58 s GLN 2 Ca 0.00 -1.35 0.04 0.00 0.02 0.00 0.00 55.36 54.07 1m58 s GLN 2 Cb 0.00 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.61 1m58 s GLN 2 CO 0.00 -0.98 0.15 0.09 -2.12 0.00 0.00 175.29 172.43 1m58 n ASN 3 N 4.63 1.23 0.25 5.90 3.02 -1.26 -4.99 115.26 124.04 1m58 n ASN 3 Ca 0.00 -3.17 0.11 0.00 -0.03 0.00 0.00 54.58 51.49 1m58 n ASN 3 Cb 0.42 1.03 0.71 0.00 -0.61 0.00 0.00 39.78 41.33 1m58 n ASN 3 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1m58 h TRP 4 N 1.68 0.00 0.34 3.10 -0.00 -1.92 0.57 115.95 119.72 1m58 h TRP 4 Ca -0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.56 1m58 h TRP 4 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.38 1m58 h TRP 4 CO 0.00 0.00 -0.17 0.93 -0.00 0.00 0.00 178.44 179.20 1m58 h GLU 5 N 0.00 -0.45 -0.47 2.65 5.08 -1.95 -0.87 114.58 118.57 1m58 h GLU 5 Ca 0.02 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1m58 h GLU 5 Cb 0.10 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1m58 h GLU 5 CO -0.00 -0.30 0.31 1.15 -1.00 0.00 0.00 179.01 179.17 1m58 h THR 6 N -0.78 1.05 -0.34 1.13 2.02 -1.89 -1.64 112.91 112.45 1m58 h THR 6 Ca -0.05 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 1m58 h THR 6 Cb 0.35 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1m58 h THR 6 CO 0.08 0.10 0.07 0.15 0.37 0.00 0.00 175.52 176.28 1m58 h PHE 7 N 0.52 0.59 0.00 3.16 3.04 -0.92 -2.43 116.94 120.89 1m58 h PHE 7 Ca 0.19 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1m58 h PHE 7 Cb 0.11 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1m58 h PHE 7 CO -0.00 0.61 -0.11 1.96 -2.02 0.00 0.00 178.31 178.75 1m58 h GLN 8 N 0.40 0.00 0.31 1.11 4.20 -0.23 0.17 115.11 121.07 1m58 h GLN 8 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1m58 h GLN 8 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1m58 h GLN 8 CO 0.00 0.11 -0.15 0.87 -0.67 0.00 0.00 178.83 179.00 1m58 h LYS 9 N 0.00 -0.40 0.06 1.46 1.57 -0.92 0.27 116.57 118.60 1m58 h LYS 9 Ca -0.00 0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.55 1m58 h LYS 9 Cb 0.24 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1m58 h LYS 9 CO 0.01 -0.06 -1.22 0.87 -0.57 0.00 0.00 179.45 178.48 1m58 h LYS 10 N -0.88 0.13 0.06 3.15 1.57 -1.43 -3.38 116.57 115.79 1m58 h LYS 10 Ca -0.04 -0.22 -0.28 0.00 -1.87 0.00 0.00 60.65 58.23 1m58 h LYS 10 Cb 0.52 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1m58 h LYS 10 CO 0.07 1.05 -1.53 0.45 -0.57 0.00 0.00 179.45 178.93 1m58 h HIS 11 N 0.04 0.23 -0.98 -1.35 3.86 -0.79 -3.43 115.15 112.73 1m58 h HIS 11 Ca -0.11 -0.17 -0.52 0.00 -1.16 0.00 0.00 60.37 58.41 1m58 h HIS 11 Cb 1.90 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 30.34 1m58 h HIS 11 CO 0.03 1.60 -0.28 -0.51 0.86 0.00 0.00 177.93 179.64 1m58 s LEU 12 N -7.55 3.08 0.24 2.43 1.02 0.08 -0.33 118.68 117.65 1m58 s LEU 12 Ca -0.25 -0.94 -0.21 0.00 0.02 0.00 0.00 54.13 52.74 1m58 s LEU 12 Cb 0.06 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.65 1m58 s LEU 12 CO 0.68 -0.99 0.68 -0.89 0.02 0.00 0.00 176.35 175.84 1m58 s THR 13 N -2.63 0.00 -0.23 5.49 2.01 -0.28 -4.27 115.64 115.73 1m58 s THR 13 Ca 0.46 -0.70 0.13 0.00 0.31 0.00 0.00 61.69 61.90 1m58 s THR 13 Cb -0.04 -1.69 0.53 0.00 0.01 0.00 0.00 72.50 71.31 1m58 s THR 13 CO 0.28 -0.00 1.46 -0.67 -0.69 0.00 0.00 174.62 175.00 1m58 n ASP 14 N -0.43 3.42 -4.05 3.53 -0.08 -1.26 -3.60 116.55 114.07 1m58 n ASP 14 Ca -0.08 -3.30 -0.24 0.00 -1.51 0.00 0.00 54.79 49.66 1m58 n ASP 14 Cb 0.61 -0.59 -0.04 0.00 2.34 0.00 0.00 41.12 43.44 1m58 n ASP 14 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1m58 n THR 15 N -0.74 0.00 0.00 5.18 -1.04 -1.26 -5.07 114.28 111.35 1m58 n THR 15 Ca 0.27 -1.78 0.00 0.00 -2.04 0.00 0.00 64.05 60.51 1m58 n THR 15 Cb 0.98 0.25 0.00 0.00 -1.82 0.00 0.00 70.33 69.75 1m58 n THR 15 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1m58 n ARG 16 N -1.07 0.00 -1.25 -2.82 1.74 -1.26 -4.82 116.66 107.18 1m58 n ARG 16 Ca -0.13 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.64 1m58 n ARG 16 Cb 0.48 -0.30 0.08 0.00 -1.02 0.00 0.00 32.46 31.70 1m58 n ARG 16 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1m58 n ASP 17 N -2.02 7.35 -4.32 0.55 2.03 -1.26 -5.01 116.55 113.87 1m58 n ASP 17 Ca 0.00 -3.66 -0.33 0.00 0.52 0.00 0.00 54.79 51.31 1m58 n ASP 17 Cb 0.04 -0.98 0.13 0.00 -0.72 0.00 0.00 41.12 39.58 1m58 n ASP 17 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1m58 n VAL 18 N -0.73 0.00 -3.96 5.18 3.14 -1.26 -4.99 118.33 115.71 1m58 n VAL 18 Ca 0.57 -0.24 -0.30 0.00 -2.96 0.00 0.00 64.34 61.41 1m58 n VAL 18 Cb 0.69 -0.54 -0.16 0.00 -1.06 0.00 0.00 33.84 32.77 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1m58 s LYS 19 N -3.38 1.74 0.60 1.45 1.02 -1.26 -4.99 119.74 114.92 1m58 s LYS 19 Ca 0.54 -0.97 0.30 0.00 0.02 0.00 0.00 55.97 55.86 1m58 s LYS 19 Cb -0.16 -2.56 1.73 0.00 -0.52 0.00 0.00 37.83 36.32 1m58 s LYS 19 CO 0.68 -0.56 2.14 0.00 -0.92 0.00 0.00 175.35 176.70 1m58 h ASP 21 N 0.00 -0.03 0.19 0.00 5.19 -1.92 -2.13 116.42 117.72 1m58 h ASP 21 Ca 0.06 -0.69 -0.23 0.00 -0.62 0.00 0.00 57.03 55.55 1m58 h ASP 21 Cb 0.36 0.01 0.01 0.00 0.18 0.00 0.00 39.33 39.89 1m58 h ASP 21 CO -0.00 0.75 -0.91 0.00 -3.12 0.00 0.00 179.24 175.95 1m58 h ALA 22 N -0.09 0.34 0.33 3.45 0.00 -1.79 -2.39 119.26 119.12 1m58 h ALA 22 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1m58 h ALA 22 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1m58 h ALA 22 CO 0.01 0.76 -0.16 1.49 0.00 0.00 0.00 179.25 181.35 1m58 h GLU 23 N 0.31 -0.43 -0.11 0.00 4.22 -0.44 -3.08 114.58 115.06 1m58 h GLU 23 Ca -0.08 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.40 1m58 h GLU 23 Cb 1.54 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1m58 h GLU 23 CO 0.17 -0.19 0.05 1.98 -2.18 0.00 0.00 179.01 178.84 1m58 h MET 24 N -1.06 0.11 -0.35 1.92 4.05 -1.53 -2.12 114.93 115.95 1m58 h MET 24 Ca -0.05 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.47 1m58 h MET 24 Cb 0.44 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1m58 h MET 24 CO 0.08 0.07 0.35 -0.22 0.23 0.00 0.00 176.91 177.41 1m58 h LYS 25 N 0.11 0.00 -7.04 0.39 1.63 -1.56 0.83 116.57 110.94 1m58 h LYS 25 Ca 0.04 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.29 1m58 h LYS 25 Cb 0.01 0.00 0.17 0.00 -0.60 0.00 0.00 32.23 31.81 1m58 h LYS 25 CO -0.03 0.00 0.24 1.17 -3.45 0.00 0.00 179.45 177.38 1m58 n LYS 26 N -3.87 0.58 0.28 1.90 3.00 -0.80 -4.22 118.16 115.04 1m58 n LYS 26 Ca 0.06 0.26 0.18 0.00 -0.00 0.00 0.00 58.31 58.81 1m58 n LYS 26 Cb 0.52 -2.34 0.95 0.00 0.00 0.00 0.00 35.03 34.16 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m58 h ALA 27 N -0.20 1.42 -0.53 3.14 0.00 -1.86 0.44 119.26 121.66 1m58 h ALA 27 Ca -0.48 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1m58 h ALA 27 Cb 1.33 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1m58 h ALA 27 CO 0.48 -0.21 0.23 1.25 0.00 0.00 0.00 179.25 181.01 1m58 h LEU 28 N 0.00 0.29 0.00 0.00 5.85 -1.86 -3.28 115.31 116.31 1m58 h LEU 28 Ca 0.03 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 1m58 h LEU 28 Cb 0.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1m58 h LEU 28 CO -0.00 0.20 -1.73 0.49 -0.34 0.00 0.00 178.44 177.06 1m58 n PHE 29 N -4.94 0.00 -2.94 1.25 3.01 -0.83 -5.04 117.46 107.97 1m58 n PHE 29 Ca 0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.40 1m58 n PHE 29 Cb 0.19 -0.52 0.05 0.00 -0.01 0.00 0.00 39.48 39.19 1m58 n PHE 29 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1m58 n ASP 30 N -2.40 -2.91 -3.02 4.37 -0.08 0.15 -3.17 116.55 109.49 1m58 n ASP 30 Ca -0.17 -0.34 -0.21 0.00 -1.51 0.00 0.00 54.79 52.55 1m58 n ASP 30 Cb 0.84 -3.18 0.05 0.00 2.34 0.00 0.00 41.12 41.17 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m58 n LYS 32 N -4.14 1.98 -0.14 0.00 0.00 -1.19 -4.88 118.16 109.79 1m58 n LYS 32 Ca -0.06 0.71 -0.03 0.00 0.00 0.00 0.00 58.31 58.92 1m58 n LYS 32 Cb 0.59 -2.41 0.04 0.00 0.00 0.00 0.00 35.03 33.25 1m58 n LYS 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1m58 h GLN 33 N 5.03 0.08 -5.13 1.64 3.07 -1.92 -3.43 115.11 114.45 1m58 h GLN 33 Ca -0.45 -0.00 -0.42 0.00 0.09 0.00 0.00 58.65 57.86 1m58 h GLN 33 Cb 1.27 -0.02 -0.25 0.00 0.08 0.00 0.00 27.48 28.56 1m58 h GLN 33 CO 0.82 0.05 -0.79 0.15 0.09 0.00 0.00 178.83 179.16 1m58 s LYS 34 N -6.19 0.86 -0.29 0.06 1.02 -1.26 -1.12 119.74 112.82 1m58 s LYS 34 Ca -0.14 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.07 1m58 s LYS 34 Cb 0.15 -0.84 0.12 0.00 -0.52 0.00 0.00 37.83 36.74 1m58 s LYS 34 CO 0.72 0.21 0.71 1.21 -0.92 0.00 0.00 175.35 177.28 1m58 s ASN 35 N -0.97 -1.00 -0.41 2.83 3.04 -1.00 -5.01 114.94 112.43 1m58 s ASN 35 Ca 0.01 1.45 -0.17 0.00 0.04 0.00 0.00 52.86 54.19 1m58 s ASN 35 Cb -0.07 1.92 0.02 0.00 -1.54 0.00 0.00 41.25 41.57 1m58 s ASN 35 CO 0.01 -0.21 0.40 -0.89 -3.04 0.00 0.00 177.10 173.37 1m58 s THR 36 N 2.40 5.13 -0.25 -5.21 2.01 -1.26 -0.31 115.64 118.15 1m58 s THR 36 Ca -0.07 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1m58 s THR 36 Cb -0.09 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1m58 s THR 36 CO -0.19 -0.36 0.15 -0.36 -0.69 0.00 0.00 174.62 173.17 1m58 s PHE 37 N 2.04 3.24 0.22 4.92 0.08 0.06 -4.48 117.98 124.07 1m58 s PHE 37 Ca 0.11 0.09 0.06 0.00 0.12 0.00 0.00 56.93 57.31 1m58 s PHE 37 Cb -0.17 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1m58 s PHE 37 CO 0.13 -0.06 0.19 0.42 -0.10 0.00 0.00 175.22 175.79 1m58 s ILE 38 N 1.32 4.53 -0.26 0.64 1.01 0.55 -0.37 121.20 128.62 1m58 s ILE 38 Ca 0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 60.65 59.41 1m58 s ILE 38 Cb -0.15 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1m58 s ILE 38 CO 0.06 -0.27 -0.00 -0.31 0.00 0.00 0.00 174.94 174.42 1m58 s TYR 39 N -2.00 3.06 0.01 3.97 2.02 -1.08 -1.13 117.35 122.21 1m58 s TYR 39 Ca 0.32 -1.13 -0.28 0.00 -0.37 0.00 0.00 57.07 55.61 1m58 s TYR 39 Cb -0.09 -2.15 0.10 0.00 -0.40 0.00 0.00 41.96 39.43 1m58 s TYR 39 CO 0.25 -0.61 1.25 0.00 -1.57 0.00 0.00 175.55 174.86 1m58 s ALA 40 N 1.44 -2.25 0.36 3.71 0.00 -1.24 -4.35 121.76 119.43 1m58 s ALA 40 Ca 0.03 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1m58 s ALA 40 Cb -0.16 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 1m58 s ALA 40 CO -0.01 -1.10 0.23 1.03 0.00 0.00 0.00 175.76 175.91 1m58 s ARG 41 N -2.23 2.51 0.08 0.00 0.52 -1.26 -4.70 118.95 113.87 1m58 s ARG 41 Ca 0.22 -1.48 -0.10 0.00 -0.52 0.00 0.00 55.73 53.85 1m58 s ARG 41 Cb 0.01 -2.30 -0.23 0.00 0.52 0.00 0.00 34.95 32.96 1m58 s ARG 41 CO -0.01 0.04 1.18 -1.00 0.02 0.00 0.00 175.30 175.52 1m58 h PRO 42 N 1.35 0.51 0.00 3.54 0.13 -1.99 -2.95 132.00 132.59 1m58 h PRO 42 Ca -0.44 -0.65 -0.14 0.00 -0.87 0.00 0.00 66.00 63.90 1m58 h PRO 42 Cb 1.25 0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.57 1m58 h PRO 42 CO 0.61 1.27 -0.67 0.78 -0.23 0.00 0.00 178.00 179.76 1m58 h GLY 43 N 0.81 0.00 2.00 1.56 0.00 -1.99 -1.81 103.07 103.64 1m58 h GLY 43 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1m58 h GLY 43 CO 0.21 0.00 -0.57 3.21 0.00 0.00 0.00 176.54 179.38 1m58 h ARG 44 N 0.00 0.00 0.00 4.80 2.47 -1.98 -3.25 114.38 116.43 1m58 h ARG 44 Ca -0.01 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.43 1m58 h ARG 44 Cb 1.50 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.77 1m58 h ARG 44 CO 0.09 0.57 -1.86 0.28 0.56 0.00 0.00 179.97 179.61 1m58 n VAL 45 N -3.44 1.43 -0.29 2.04 0.31 -1.11 -4.13 118.33 113.14 1m58 n VAL 45 Ca 0.00 -0.79 0.06 0.00 -0.01 0.00 0.00 64.34 63.60 1m58 n VAL 45 Cb 0.68 -0.80 0.27 0.00 -0.91 0.00 0.00 33.84 33.09 1m58 n VAL 45 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1m58 h GLN 46 N 0.00 0.91 -0.09 5.55 4.15 -1.36 0.50 115.11 124.77 1m58 h GLN 46 Ca -0.33 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.00 1m58 h GLN 46 Cb 1.98 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 29.46 1m58 h GLN 46 CO 0.06 0.60 -0.08 0.00 -1.93 0.00 0.00 178.83 177.48 1m58 h ALA 47 N 1.54 1.71 0.00 3.38 0.00 -1.71 0.29 119.26 124.47 1m58 h ALA 47 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1m58 h ALA 47 Cb 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1m58 h ALA 47 CO -0.16 0.22 -0.00 1.25 0.00 0.00 0.00 179.25 180.56 1m58 h LEU 48 N 0.13 0.00 -2.95 0.00 5.85 -1.10 -3.30 115.31 113.94 1m58 h LEU 48 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1m58 h LEU 48 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1m58 h LEU 48 CO 0.01 0.00 -0.03 0.00 -0.34 0.00 0.00 178.44 178.09 1m58 n LYS 50 N -1.34 2.74 -0.09 0.00 3.00 0.91 -3.55 118.16 119.82 1m58 n LYS 50 Ca 0.15 -3.35 0.00 0.00 -0.00 0.00 0.00 58.31 55.11 1m58 n LYS 50 Cb 0.63 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.37 1m58 n LYS 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1m58 n ASN 51 N -0.88 0.02 -3.82 3.14 0.23 -1.26 -5.04 115.26 107.65 1m58 n ASN 51 Ca 0.62 -1.20 -0.12 0.00 -0.53 0.00 0.00 54.58 53.34 1m58 n ASN 51 Cb 0.65 -0.04 -0.11 0.00 -2.08 0.00 0.00 39.78 38.19 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1m58 s ILE 52 N -0.01 0.02 -0.05 1.53 1.01 -1.26 -5.06 121.20 117.39 1m58 s ILE 52 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1m58 s ILE 52 Cb 0.00 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1m58 s ILE 52 CO 0.00 -0.11 -0.05 -0.38 0.00 0.00 0.00 174.94 174.41 1m58 n ILE 53 N 2.51 0.27 -1.39 2.92 5.41 -1.26 -2.04 119.36 125.77 1m58 n ILE 53 Ca -0.16 -0.09 -0.26 0.00 1.00 0.00 0.00 62.75 63.24 1m58 n ILE 53 Cb 0.58 -1.01 0.20 0.00 -0.71 0.00 0.00 39.64 38.70 1m58 n ILE 53 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1m58 n VAL 54 N -2.86 0.00 -2.79 1.39 0.24 -1.26 -0.99 118.33 112.06 1m58 n VAL 54 Ca -0.09 -0.64 -0.42 0.00 -2.04 0.00 0.00 64.34 61.15 1m58 n VAL 54 Cb 0.58 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.53 1m58 n VAL 54 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1m58 s SER 55 N -4.69 6.78 0.24 -1.34 0.15 -1.26 -4.02 113.70 109.56 1m58 s SER 55 Ca 0.65 0.80 -0.07 0.00 0.70 0.00 0.00 55.95 58.03 1m58 s SER 55 Cb -0.04 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1m58 s SER 55 CO 0.47 -0.78 0.34 -0.75 1.20 0.00 0.00 173.24 173.73 1m58 s LYS 56 N 3.36 1.45 -0.30 5.44 2.20 -0.79 -5.00 119.74 126.10 1m58 s LYS 56 Ca 0.39 -1.47 -0.11 0.00 -0.36 0.00 0.00 55.97 54.43 1m58 s LYS 56 Cb -0.13 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1m58 s LYS 56 CO 0.15 -0.56 0.19 -0.80 -0.36 0.00 0.00 175.35 173.96 1m58 s ASN 57 N -3.10 5.88 0.02 1.43 0.02 -1.26 -0.38 114.94 117.55 1m58 s ASN 57 Ca 0.30 -0.20 0.01 0.00 -1.02 0.00 0.00 52.86 51.95 1m58 s ASN 57 Cb 0.02 -2.09 -0.04 0.00 0.02 0.00 0.00 41.25 39.17 1m58 s ASN 57 CO 0.12 -0.11 0.07 0.54 0.02 0.00 0.00 177.10 177.73 1m58 s VAL 58 N 1.72 4.59 -0.06 1.60 0.11 0.53 -4.90 120.40 123.99 1m58 s VAL 58 Ca 0.06 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 1m58 s VAL 58 Cb -0.16 -3.13 -0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1m58 s VAL 58 CO 0.10 0.28 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.21 1m58 s LEU 59 N -1.92 1.91 -0.03 2.54 1.43 -1.26 -1.87 118.68 119.48 1m58 s LEU 59 Ca 0.24 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 1m58 s LEU 59 Cb -0.12 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1m58 s LEU 59 CO 0.16 0.14 0.90 -0.94 0.23 0.00 0.00 176.35 176.84 1m58 s SER 60 N 0.17 7.24 0.19 2.29 1.04 -1.01 -4.94 113.70 118.68 1m58 s SER 60 Ca -0.08 1.50 0.04 0.00 0.48 0.00 0.00 55.95 57.89 1m58 s SER 60 Cb -0.13 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.56 1m58 s SER 60 CO 0.04 -0.24 1.45 0.74 0.98 0.00 0.00 173.24 176.21 1m58 h THR 61 N 4.83 1.46 -3.16 2.02 2.02 -2.00 -3.41 112.91 114.68 1m58 h THR 61 Ca -0.40 -2.40 -0.45 0.00 0.77 0.00 0.00 66.41 63.93 1m58 h THR 61 Cb 1.20 2.30 0.07 0.00 -1.74 0.00 0.00 68.15 69.99 1m58 h THR 61 CO 0.76 0.70 0.12 -1.81 0.37 0.00 0.00 175.52 175.66 1m58 s ASP 62 N -6.90 4.95 -0.16 4.18 1.11 -1.26 -5.03 116.67 113.56 1m58 s ASP 62 Ca -0.03 0.21 -0.06 0.00 0.18 0.00 0.00 52.55 52.85 1m58 s ASP 62 Cb 0.11 -0.93 -0.04 0.00 1.07 0.00 0.00 42.92 43.13 1m58 s ASP 62 CO 0.81 -1.45 0.04 -1.83 1.18 0.00 0.00 175.17 173.93 1m58 s GLU 63 N -5.05 3.72 0.09 8.23 1.03 -1.26 -4.56 118.70 120.90 1m58 s GLU 63 Ca 0.60 -0.37 0.06 0.00 0.03 0.00 0.00 54.97 55.29 1m58 s GLU 63 Cb -0.10 -3.09 -0.04 0.00 -0.80 0.00 0.00 34.13 30.10 1m58 s GLU 63 CO 0.42 0.38 -0.06 -0.06 -1.33 0.00 0.00 175.26 174.61 1m58 s PHE 64 N 0.05 2.84 0.34 4.83 0.40 -0.98 -4.79 117.98 120.67 1m58 s PHE 64 Ca 0.04 -0.10 -0.28 0.00 -0.60 0.00 0.00 56.93 55.99 1m58 s PHE 64 Cb -0.12 -1.49 -0.10 0.00 0.51 0.00 0.00 43.02 41.81 1m58 s PHE 64 CO 0.01 0.44 1.32 0.71 0.70 0.00 0.00 175.22 178.40 1m58 s TYR 65 N -1.22 3.00 -0.19 0.36 2.02 -1.26 -2.30 117.35 117.76 1m58 s TYR 65 Ca 0.22 1.40 -0.01 0.00 -0.37 0.00 0.00 57.07 58.31 1m58 s TYR 65 Cb -0.11 -3.71 0.05 0.00 -0.40 0.00 0.00 41.96 37.79 1m58 s TYR 65 CO 0.15 -1.96 -0.03 -0.51 -1.57 0.00 0.00 175.55 171.62 1m58 s LEU 66 N -1.86 1.71 -0.38 -1.29 1.43 0.13 -2.62 118.68 115.81 1m58 s LEU 66 Ca 0.50 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1m58 s LEU 66 Cb -0.40 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 45.03 1m58 s LEU 66 CO 0.54 -0.23 0.15 -0.55 0.23 0.00 0.00 176.35 176.48 1m58 s SER 67 N 1.64 5.18 0.13 2.29 0.15 0.50 -2.00 113.70 121.59 1m58 s SER 67 Ca -0.01 -1.77 0.06 0.00 0.70 0.00 0.00 55.95 54.93 1m58 s SER 67 Cb -0.17 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1m58 s SER 67 CO -0.07 -0.46 -0.02 1.51 1.20 0.00 0.00 173.24 175.40 1m58 s ASP 68 N 1.65 4.82 -0.17 5.45 -4.77 -1.05 -0.76 116.67 121.84 1m58 s ASP 68 Ca 0.04 -0.30 -0.05 0.00 -3.30 0.00 0.00 52.55 48.94 1m58 s ASP 68 Cb -0.22 -1.06 -0.03 0.00 -1.09 0.00 0.00 42.92 40.52 1m58 s ASP 68 CO -0.03 0.14 0.01 0.00 0.70 0.00 0.00 175.17 175.99 1m58 s ASN 70 N 0.45 3.32 -0.74 0.00 0.01 -0.93 -2.36 114.94 114.68 1m58 s ASN 70 Ca -0.01 -0.51 -0.26 0.00 -0.71 0.00 0.00 52.86 51.38 1m58 s ASN 70 Cb -0.13 -1.46 -0.11 0.00 0.41 0.00 0.00 41.25 39.96 1m58 s ASN 70 CO 0.02 0.15 2.32 -0.60 -1.51 0.00 0.00 177.10 177.48 1m58 s ARG 71 N 0.40 1.87 -0.18 -0.60 3.52 -0.27 -2.72 118.95 120.97 1m58 s ARG 71 Ca -0.16 0.56 0.18 0.00 -0.13 0.00 0.00 55.73 56.19 1m58 s ARG 71 Cb -0.17 -4.77 -0.26 0.00 -1.56 0.00 0.00 34.95 28.19 1m58 s ARG 71 CO 0.07 -4.00 0.12 0.44 -0.81 0.00 0.00 175.30 171.12 1m58 n ILE 72 N 8.44 1.25 -3.24 4.11 -5.35 -1.26 -4.98 119.36 118.32 1m58 n ILE 72 Ca 0.43 -0.82 0.04 0.00 -0.27 0.00 0.00 62.75 62.12 1m58 n ILE 72 Cb 0.46 -0.42 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 1m58 n ILE 72 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1m58 s LYS 73 N -2.60 0.15 1.11 6.28 0.00 -1.25 -5.09 119.74 118.34 1m58 s LYS 73 Ca -0.10 0.33 -0.17 0.00 0.00 0.00 0.00 55.97 56.03 1m58 s LYS 73 Cb 0.07 0.20 0.13 0.00 0.00 0.00 0.00 37.83 38.22 1m58 s LYS 73 CO 0.84 -0.08 0.18 1.28 0.00 0.00 0.00 175.35 177.57 1m58 n LEU 74 N 4.97 -1.97 0.00 2.77 4.32 -1.26 -3.81 117.00 122.01 1m58 n LEU 74 Ca -0.08 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1m58 n LEU 74 Cb 0.54 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1m58 n LEU 74 CO -0.07 -3.16 0.00 -0.81 -1.22 0.00 0.00 177.39 172.13 1m58 n PRO 75 N -2.44 0.00 -0.60 3.23 -0.04 -1.26 -4.57 135.00 129.32 1m58 n PRO 75 Ca 0.02 0.49 0.02 0.00 -0.04 0.00 0.00 63.50 63.99 1m58 n PRO 75 Cb 0.60 -1.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.27 1m58 n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1m58 s HIS 77 N -3.11 3.38 0.56 0.00 3.76 -1.25 -3.97 115.29 114.65 1m58 s HIS 77 Ca 0.41 -1.49 0.05 0.00 -0.15 0.00 0.00 55.06 53.88 1m58 s HIS 77 Cb 0.37 -3.88 0.04 0.00 1.11 0.00 0.00 32.58 30.22 1m58 s HIS 77 CO 0.01 -1.09 0.38 0.71 -0.85 0.00 0.00 174.74 173.90 1m58 s TYR 78 N 1.35 1.52 0.03 1.40 2.02 -1.26 -3.81 117.35 118.60 1m58 s TYR 78 Ca 0.12 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1m58 s TYR 78 Cb -0.20 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 1m58 s TYR 78 CO -0.02 -0.47 0.10 0.21 -1.57 0.00 0.00 175.55 173.81 1m58 s LYS 79 N -4.27 3.08 -0.25 -0.62 2.20 -1.10 -4.91 119.74 113.87 1m58 s LYS 79 Ca 0.30 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1m58 s LYS 79 Cb -0.02 -2.86 0.04 0.00 -1.51 0.00 0.00 37.83 33.48 1m58 s LYS 79 CO 0.19 0.62 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.54 1m58 s LEU 80 N -2.05 3.23 -0.30 5.43 2.96 -1.26 -2.19 118.68 124.49 1m58 s LEU 80 Ca 0.27 -1.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.02 1m58 s LEU 80 Cb -0.12 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1m58 s LEU 80 CO 0.19 -0.15 0.14 -0.54 -1.32 0.00 0.00 176.35 174.67 1m58 s LYS 81 N 1.24 3.46 -0.23 1.98 1.02 -0.96 -4.94 119.74 121.32 1m58 s LYS 81 Ca -0.03 -0.63 -0.06 0.00 0.02 0.00 0.00 55.97 55.27 1m58 s LYS 81 Cb -0.18 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1m58 s LYS 81 CO -0.05 -0.35 0.04 0.21 -0.92 0.00 0.00 175.35 174.27 1m58 s LYS 82 N 1.63 3.65 -0.21 1.68 2.20 -1.25 -2.53 119.74 124.91 1m58 s LYS 82 Ca 0.05 -0.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.91 1m58 s LYS 82 Cb -0.17 -3.22 0.08 0.00 -1.51 0.00 0.00 37.83 33.01 1m58 s LYS 82 CO 0.06 -0.09 0.75 -1.12 -0.36 0.00 0.00 175.35 174.60 1m58 s SER 83 N 1.31 -0.68 -0.18 1.43 0.01 -0.85 -4.95 113.70 109.79 1m58 s SER 83 Ca 0.05 1.18 -0.15 0.00 1.31 0.00 0.00 55.95 58.33 1m58 s SER 83 Cb -0.15 1.14 -0.04 0.00 0.21 0.00 0.00 66.02 67.18 1m58 s SER 83 CO 0.02 -0.33 0.35 -0.44 0.41 0.00 0.00 173.24 173.25 1m58 s SER 84 N -0.07 6.43 0.29 2.44 0.01 -1.26 -0.69 113.70 120.85 1m58 s SER 84 Ca -0.02 0.51 -0.13 0.00 1.31 0.00 0.00 55.95 57.61 1m58 s SER 84 Cb -0.04 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.99 1m58 s SER 84 CO 0.03 0.01 0.57 0.21 0.41 0.00 0.00 173.24 174.46 1m58 s ASN 85 N 0.80 0.03 0.47 2.44 2.47 -0.97 -4.84 114.94 115.34 1m58 s ASN 85 Ca 0.18 -0.98 -0.19 0.00 0.42 0.00 0.00 52.86 52.29 1m58 s ASN 85 Cb -0.14 0.66 -0.09 0.00 -1.45 0.00 0.00 41.25 40.23 1m58 s ASN 85 CO 0.06 -1.28 0.97 -0.89 -3.72 0.00 0.00 177.10 172.25 1m58 s THR 86 N -3.63 4.39 0.23 -5.21 2.01 -1.26 -2.32 115.64 109.84 1m58 s THR 86 Ca 0.20 1.35 0.10 0.00 0.31 0.00 0.00 61.69 63.65 1m58 s THR 86 Cb -0.02 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1m58 s THR 86 CO 0.11 -0.46 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.83 1m58 s ILE 87 N -2.35 2.98 -0.34 1.82 -1.09 -1.26 -1.04 121.20 119.91 1m58 s ILE 87 Ca 0.61 -1.94 -0.00 0.00 -2.23 0.00 0.00 60.65 57.08 1m58 s ILE 87 Cb -0.10 -2.52 0.11 0.00 -1.58 0.00 0.00 42.46 38.37 1m58 s ILE 87 CO 0.21 -0.24 0.15 0.00 -1.23 0.00 0.00 174.94 173.82 1m58 s ILE 89 N 1.30 2.33 -0.46 0.00 1.01 -0.78 -1.31 121.20 123.29 1m58 s ILE 89 Ca 0.13 -1.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.05 1m58 s ILE 89 Cb -0.20 -2.90 0.06 0.00 0.01 0.00 0.00 42.46 39.44 1m58 s ILE 89 CO -0.17 0.00 0.39 -0.89 0.00 0.00 0.00 174.94 174.27 1m58 s THR 90 N -2.58 5.23 0.09 2.92 2.01 -0.16 -0.35 115.64 122.80 1m58 s THR 90 Ca 0.42 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1m58 s THR 90 Cb 0.01 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 1m58 s THR 90 CO 0.24 -0.54 0.89 0.00 -0.69 0.00 0.00 174.62 174.52 1m58 s GLU 92 N -0.05 0.69 -0.98 0.00 -1.05 -0.36 -1.89 118.70 115.06 1m58 s GLU 92 Ca 0.44 1.00 -0.07 0.00 -0.15 0.00 0.00 54.97 56.19 1m58 s GLU 92 Cb -0.22 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 33.72 1m58 s GLU 92 CO 0.27 -0.11 0.86 -1.71 0.95 0.00 0.00 175.26 175.52 1m58 n ASN 93 N 3.36 -5.19 0.00 0.83 2.85 -0.16 -2.33 115.26 114.62 1m58 n ASN 93 Ca -0.17 -0.39 0.00 0.00 -0.11 0.00 0.00 54.58 53.91 1m58 n ASN 93 Cb 0.57 -3.78 0.00 0.00 1.24 0.00 0.00 39.78 37.81 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1m58 n LYS 94 N -3.77 -1.45 -3.73 1.20 5.02 -0.87 -4.95 118.16 109.62 1m58 n LYS 94 Ca 0.01 0.36 -0.13 0.00 -2.02 0.00 0.00 58.31 56.52 1m58 n LYS 94 Cb 0.54 -4.45 -0.09 0.00 -0.02 0.00 0.00 35.03 31.01 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1m58 s LEU 95 N 0.00 0.50 0.27 -0.35 0.05 -0.98 -4.13 118.68 114.04 1m58 s LEU 95 Ca 0.00 0.59 -0.18 0.00 0.05 0.00 0.00 54.13 54.59 1m58 s LEU 95 Cb 0.00 1.43 -0.09 0.00 -2.05 0.00 0.00 46.19 45.48 1m58 s LEU 95 CO 0.00 -0.26 0.74 -2.16 -0.55 0.00 0.00 176.35 174.12 1m58 s PRO 96 N -0.35 4.15 0.00 1.48 0.04 -1.26 -1.22 135.00 137.84 1m58 s PRO 96 Ca -0.05 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1m58 s PRO 96 Cb -0.03 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1m58 s PRO 96 CO 0.02 0.27 0.66 1.33 0.04 0.00 0.00 177.00 179.33 1m58 n VAL 97 N 0.20 0.00 -3.45 -0.36 0.24 -1.04 -4.57 118.33 109.36 1m58 n VAL 97 Ca 0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1m58 n VAL 97 Cb 0.52 0.38 -0.12 0.00 -1.47 0.00 0.00 33.84 33.15 1m58 n VAL 97 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1m58 s HIS 98 N 0.00 -0.28 -0.50 6.34 3.76 -1.26 -4.98 115.29 118.37 1m58 s HIS 98 Ca 0.00 -0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 54.49 1m58 s HIS 98 Cb 0.00 -0.49 -0.01 0.00 1.11 0.00 0.00 32.58 33.19 1m58 s HIS 98 CO 0.00 -0.80 1.69 0.12 -0.85 0.00 0.00 174.74 174.90 1m58 s PHE 99 N 2.31 1.92 -0.07 1.40 2.19 -1.26 -0.98 117.98 123.48 1m58 s PHE 99 Ca 0.09 0.65 -0.02 0.00 0.33 0.00 0.00 56.93 57.97 1m58 s PHE 99 Cb -0.15 -4.20 -0.01 0.00 -1.31 0.00 0.00 43.02 37.35 1m58 s PHE 99 CO -0.27 -2.38 0.10 0.28 1.83 0.00 0.00 175.22 174.78 1m58 h VAL 100 N 6.70 0.00 -1.51 3.12 2.07 -1.52 -3.49 116.25 121.62 1m58 h VAL 100 Ca -0.28 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1m58 h VAL 100 Cb 1.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1m58 h VAL 100 CO 1.15 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.74 1m58 n ALA 101 N -2.62 0.00 -1.74 1.67 0.00 -0.92 -4.95 120.51 111.94 1m58 n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1m58 n ALA 101 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1m58 n ALA 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m58 n VAL 102 N 0.00 0.00 -0.41 0.00 0.24 -1.26 -1.38 118.33 115.52 1m58 n VAL 102 Ca 0.00 0.00 0.35 0.00 -2.04 0.00 0.00 64.34 62.65 1m58 n VAL 102 Cb 0.00 -0.01 0.67 0.00 -1.47 0.00 0.00 33.84 33.03 1m58 n VAL 102 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1m58 h GLU 103 N 0.00 0.12 -4.80 7.34 4.81 -1.37 -3.29 114.58 117.39 1m58 h GLU 103 Ca 0.00 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.54 1m58 h GLU 103 Cb 0.00 -0.03 -0.26 0.00 0.63 0.00 0.00 28.75 29.09 1m58 h GLU 103 CO 0.00 0.08 -0.62 -1.21 -0.73 0.00 0.00 179.01 176.53 1m58 s GLU 104 N -5.18 3.08 0.03 1.92 2.02 -1.26 -4.94 118.70 114.36 1m58 s GLU 104 Ca -0.07 -0.87 -0.07 0.00 0.02 0.00 0.00 54.97 53.99 1m58 s GLU 104 Cb 0.26 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 31.06 1m58 s GLU 104 CO 0.82 -0.45 0.29 0.00 0.02 0.00 0.00 175.26 175.94