#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 4.09 0.35 0.03 -0.21 -1.26 -5.05 119.66 117.60 1m58 s GLN 2 Ca 0.00 1.75 0.03 0.00 0.02 0.00 0.00 55.36 57.16 1m58 s GLN 2 Cb 0.00 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 1m58 s GLN 2 CO 0.00 -0.27 0.10 -0.80 -2.12 0.00 0.00 175.29 172.21 1m58 s ASN 3 N -1.25 2.27 0.60 5.90 0.01 -1.26 -5.02 114.94 116.18 1m58 s ASN 3 Ca 0.57 -1.51 0.34 0.00 -0.71 0.00 0.00 52.86 51.55 1m58 s ASN 3 Cb -0.28 0.23 1.90 0.00 0.41 0.00 0.00 41.25 43.51 1m58 s ASN 3 CO 0.35 -0.78 2.24 -0.25 -1.51 0.00 0.00 177.10 177.15 1m58 h TRP 4 N 2.04 0.00 0.75 2.20 -0.00 -1.88 -2.53 115.95 116.52 1m58 h TRP 4 Ca -0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.48 1m58 h TRP 4 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.42 1m58 h TRP 4 CO 0.96 0.03 -0.36 0.93 -0.00 0.00 0.00 178.44 180.00 1m58 h GLU 5 N 0.00 -0.96 -0.46 2.65 3.07 -1.96 0.84 114.58 117.76 1m58 h GLU 5 Ca -0.00 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1m58 h GLU 5 Cb 0.11 0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1m58 h GLU 5 CO 0.00 -0.64 0.30 1.15 -1.40 0.00 0.00 179.01 178.42 1m58 h THR 6 N -1.26 1.12 0.19 1.13 2.02 -1.94 -1.78 112.91 112.39 1m58 h THR 6 Ca -0.10 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1m58 h THR 6 Cb 0.77 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1m58 h THR 6 CO 0.17 0.12 -0.09 0.15 0.37 0.00 0.00 175.52 176.24 1m58 h PHE 7 N 0.62 -0.23 -0.02 3.16 3.57 -1.50 -2.03 116.94 120.50 1m58 h PHE 7 Ca 0.17 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1m58 h PHE 7 Cb -0.05 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1m58 h PHE 7 CO -0.04 -0.14 0.03 0.37 -2.23 0.00 0.00 178.31 176.30 1m58 h GLN 8 N -0.25 0.00 0.24 1.11 4.15 -0.66 -0.36 115.11 119.34 1m58 h GLN 8 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1m58 h GLN 8 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1m58 h GLN 8 CO 0.04 0.00 -0.12 0.87 -1.93 0.00 0.00 178.83 177.69 1m58 h LYS 9 N 0.00 -0.32 0.00 1.69 1.57 -0.59 -2.24 116.57 116.68 1m58 h LYS 9 Ca 0.01 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1m58 h LYS 9 Cb 0.07 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1m58 h LYS 9 CO -0.00 -0.00 -0.73 0.87 -0.57 0.00 0.00 179.45 179.01 1m58 h LYS 10 N -0.98 0.00 0.05 3.15 1.57 -1.38 -3.37 116.57 115.61 1m58 h LYS 10 Ca -0.03 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 1m58 h LYS 10 Cb 0.46 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1m58 h LYS 10 CO 0.06 0.49 -2.04 0.72 -0.57 0.00 0.00 179.45 178.10 1m58 n HIS 11 N -3.16 0.80 -3.37 -1.35 8.25 -0.15 -4.57 115.22 111.67 1m58 n HIS 11 Ca -0.01 0.22 -0.21 0.00 -0.26 0.00 0.00 57.72 57.46 1m58 n HIS 11 Cb 0.77 -1.12 0.01 0.00 1.12 0.00 0.00 29.99 30.77 1m58 n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1m58 s LEU 12 N -6.45 3.21 0.23 2.41 1.02 -0.84 0.22 118.68 118.47 1m58 s LEU 12 Ca -0.17 -0.82 -0.06 0.00 0.02 0.00 0.00 54.13 53.10 1m58 s LEU 12 Cb 0.07 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1m58 s LEU 12 CO 0.77 -0.98 0.29 -0.89 0.02 0.00 0.00 176.35 175.56 1m58 s THR 13 N -2.57 0.00 -0.21 5.49 2.01 0.33 -4.54 115.64 116.14 1m58 s THR 13 Ca 0.51 -1.73 0.12 0.00 0.31 0.00 0.00 61.69 60.89 1m58 s THR 13 Cb -0.05 -2.38 -0.21 0.00 0.01 0.00 0.00 72.50 69.87 1m58 s THR 13 CO 0.31 0.00 -0.03 0.47 -0.69 0.00 0.00 174.62 174.68 1m58 n ASP 14 N -0.37 0.85 -4.94 3.53 9.92 -1.26 -4.36 116.55 119.93 1m58 n ASP 14 Ca 0.00 -0.04 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1m58 n ASP 14 Cb 0.64 0.52 0.05 0.00 -0.64 0.00 0.00 41.12 41.69 1m58 n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1m58 s THR 15 N -2.48 2.60 0.00 -3.53 -1.32 -1.26 -4.99 115.64 104.67 1m58 s THR 15 Ca -0.17 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1m58 s THR 15 Cb 0.07 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1m58 s THR 15 CO 0.72 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 173.67 1m58 n ARG 16 N -2.35 1.33 -0.90 7.08 1.74 -1.26 -4.69 116.66 117.61 1m58 n ARG 16 Ca 0.09 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1m58 n ARG 16 Cb 0.60 -0.93 0.18 0.00 -1.02 0.00 0.00 32.46 31.29 1m58 n ARG 16 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1m58 n ASP 17 N -1.38 3.83 -4.36 0.55 5.75 -1.26 -5.00 116.55 114.68 1m58 n ASP 17 Ca 0.00 -3.14 -0.37 0.00 -0.01 0.00 0.00 54.79 51.28 1m58 n ASP 17 Cb 0.08 -0.74 0.06 0.00 -1.03 0.00 0.00 41.12 39.49 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1m58 n VAL 18 N -0.50 1.14 -4.20 2.12 0.31 -1.26 -5.01 118.33 110.93 1m58 n VAL 18 Ca 0.41 -0.42 -0.23 0.00 -0.01 0.00 0.00 64.34 64.09 1m58 n VAL 18 Cb 1.33 -0.50 -0.17 0.00 -0.91 0.00 0.00 33.84 33.59 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1m58 s LYS 19 N -2.38 1.19 0.49 5.55 -0.14 -1.26 -5.02 119.74 118.16 1m58 s LYS 19 Ca 0.60 -0.20 0.22 0.00 -1.36 0.00 0.00 55.97 55.23 1m58 s LYS 19 Cb -0.35 -1.15 1.26 0.00 -1.68 0.00 0.00 37.83 35.91 1m58 s LYS 19 CO 0.63 -0.11 1.95 0.00 -0.76 0.00 0.00 175.35 177.06 1m58 h ASP 21 N 0.18 -0.79 0.46 0.00 1.82 -1.89 -1.20 116.42 114.99 1m58 h ASP 21 Ca 0.33 0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.79 1m58 h ASP 21 Cb 1.04 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 1m58 h ASP 21 CO -0.06 -0.45 -0.91 0.00 -1.61 0.00 0.00 179.24 176.21 1m58 h ALA 22 N -1.33 0.44 0.46 -0.78 0.00 -1.88 -2.59 119.26 113.57 1m58 h ALA 22 Ca -0.10 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 1m58 h ALA 22 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1m58 h ALA 22 CO 0.16 0.86 -0.22 1.49 0.00 0.00 0.00 179.25 181.54 1m58 h GLU 23 N 0.17 -0.60 -0.66 0.00 4.22 0.78 -2.70 114.58 115.80 1m58 h GLU 23 Ca -0.06 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.48 1m58 h GLU 23 Cb 1.55 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 1m58 h GLU 23 CO 0.15 -0.40 0.36 1.98 -2.18 0.00 0.00 179.01 178.92 1m58 h MET 24 N -0.81 0.65 -0.23 1.92 4.05 -1.36 -0.88 114.93 118.27 1m58 h MET 24 Ca -0.06 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1m58 h MET 24 Cb 0.48 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1m58 h MET 24 CO 0.10 0.43 0.23 -0.22 0.23 0.00 0.00 176.91 177.68 1m58 h LYS 25 N 0.67 0.00 -6.72 0.39 1.63 -1.52 0.93 116.57 111.96 1m58 h LYS 25 Ca 0.30 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.52 1m58 h LYS 25 Cb 0.19 0.00 0.14 0.00 -0.60 0.00 0.00 32.23 31.96 1m58 h LYS 25 CO -0.18 0.00 0.15 1.17 -3.45 0.00 0.00 179.45 177.13 1m58 n LYS 26 N -3.94 1.21 0.17 1.90 3.00 -0.34 -4.20 118.16 115.96 1m58 n LYS 26 Ca 0.03 0.44 0.18 0.00 -0.00 0.00 0.00 58.31 58.96 1m58 n LYS 26 Cb 0.37 -2.10 0.80 0.00 0.00 0.00 0.00 35.03 34.10 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 1.17 1.90 -0.17 3.14 0.00 -1.87 0.73 119.26 124.15 1m58 h ALA 27 Ca -0.46 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1m58 h ALA 27 Cb 1.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1m58 h ALA 27 CO 0.54 -0.43 0.18 1.25 0.00 0.00 0.00 179.25 180.79 1m58 h LEU 28 N 0.00 0.00 0.00 0.00 5.85 -1.88 -3.30 115.31 115.98 1m58 h LEU 28 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1m58 h LEU 28 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1m58 h LEU 28 CO -0.00 0.00 -0.62 0.49 -0.34 0.00 0.00 178.44 177.97 1m58 n PHE 29 N -3.91 0.00 -2.76 1.25 3.72 0.08 -5.06 117.46 110.77 1m58 n PHE 29 Ca 0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.32 1m58 n PHE 29 Cb 0.30 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.88 1m58 n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1m58 n ASP 30 N -2.13 -2.41 -3.49 4.37 -0.08 0.23 -3.60 116.55 109.45 1m58 n ASP 30 Ca 0.00 -0.30 -0.18 0.00 -1.51 0.00 0.00 54.79 52.80 1m58 n ASP 30 Cb 0.31 -2.77 0.07 0.00 2.34 0.00 0.00 41.12 41.07 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 -4.06 -3.77 -0.05 0.00 4.76 -1.24 -4.91 118.16 108.89 1m58 n LYS 32 Ca -0.26 -1.67 -0.02 0.00 -2.87 0.00 0.00 58.31 53.49 1m58 n LYS 32 Cb 0.66 -1.75 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 1m58 n LYS 32 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1m58 h GLN 33 N 0.00 0.00 -4.65 1.97 7.50 -1.93 -3.47 115.11 114.52 1m58 h GLN 33 Ca -0.41 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.46 1m58 h GLN 33 Cb 1.30 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 28.63 1m58 h GLN 33 CO 0.26 0.15 -0.73 -1.59 -1.50 0.00 0.00 178.83 175.42 1m58 s LYS 34 N -1.68 0.62 -0.30 1.46 -2.85 -1.26 -0.98 119.74 114.75 1m58 s LYS 34 Ca -0.03 -0.90 -0.11 0.00 -1.00 0.00 0.00 55.97 53.93 1m58 s LYS 34 Cb -0.00 -0.32 0.13 0.00 -2.06 0.00 0.00 37.83 35.58 1m58 s LYS 34 CO 0.11 0.05 0.68 1.21 0.10 0.00 0.00 175.35 177.50 1m58 s ASN 35 N -1.91 -1.08 -0.51 0.03 3.04 -1.05 -4.98 114.94 108.48 1m58 s ASN 35 Ca -0.05 1.50 -0.17 0.00 0.04 0.00 0.00 52.86 54.19 1m58 s ASN 35 Cb -0.07 2.19 0.08 0.00 -1.54 0.00 0.00 41.25 41.92 1m58 s ASN 35 CO -0.00 -0.21 0.50 -0.89 -3.04 0.00 0.00 177.10 173.46 1m58 s THR 36 N 2.77 5.10 -0.07 -5.21 2.01 -1.26 -0.20 115.64 118.78 1m58 s THR 36 Ca -0.06 -1.02 -0.05 0.00 0.31 0.00 0.00 61.69 60.87 1m58 s THR 36 Cb -0.11 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1m58 s THR 36 CO -0.19 -0.75 0.16 -0.36 -0.69 0.00 0.00 174.62 172.79 1m58 s PHE 37 N 1.98 3.58 0.30 4.92 0.08 -0.31 -4.39 117.98 124.14 1m58 s PHE 37 Ca 0.07 0.47 0.10 0.00 0.12 0.00 0.00 56.93 57.69 1m58 s PHE 37 Cb -0.24 -1.91 -0.06 0.00 -0.57 0.00 0.00 43.02 40.24 1m58 s PHE 37 CO 0.07 0.70 -0.13 0.42 -0.10 0.00 0.00 175.22 176.18 1m58 s ILE 38 N -1.15 2.20 -0.23 0.64 1.01 0.13 -0.81 121.20 122.98 1m58 s ILE 38 Ca 0.20 -2.26 0.01 0.00 0.00 0.00 0.00 60.65 58.60 1m58 s ILE 38 Cb -0.12 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1m58 s ILE 38 CO 0.10 -0.31 -0.12 -0.31 0.00 0.00 0.00 174.94 174.30 1m58 s TYR 39 N -2.66 3.07 0.03 3.97 2.02 -0.97 -0.51 117.35 122.29 1m58 s TYR 39 Ca 0.30 -1.90 -0.28 0.00 -0.37 0.00 0.00 57.07 54.82 1m58 s TYR 39 Cb -0.00 -1.97 0.09 0.00 -0.40 0.00 0.00 41.96 39.69 1m58 s TYR 39 CO 0.15 -0.82 1.02 0.00 -1.57 0.00 0.00 175.55 174.33 1m58 s ALA 40 N 1.22 -1.86 0.31 3.71 0.00 -1.26 -4.17 121.76 119.71 1m58 s ALA 40 Ca -0.02 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.68 1m58 s ALA 40 Cb -0.17 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1m58 s ALA 40 CO -0.07 -0.88 0.33 1.03 0.00 0.00 0.00 175.76 176.16 1m58 s ARG 41 N -2.98 2.96 0.05 0.00 0.52 -1.26 -4.84 118.95 113.39 1m58 s ARG 41 Ca 0.10 -1.10 -0.12 0.00 -0.52 0.00 0.00 55.73 54.08 1m58 s ARG 41 Cb -0.00 -2.64 -0.31 0.00 0.52 0.00 0.00 34.95 32.52 1m58 s ARG 41 CO -0.03 0.19 1.07 -1.00 0.02 0.00 0.00 175.30 175.55 1m58 h PRO 42 N 1.20 0.50 0.07 3.54 0.13 -2.00 -2.85 132.00 132.59 1m58 h PRO 42 Ca -0.47 -0.78 -0.25 0.00 -0.87 0.00 0.00 66.00 63.63 1m58 h PRO 42 Cb 1.25 0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.65 1m58 h PRO 42 CO 0.58 1.37 -1.14 0.78 -0.23 0.00 0.00 178.00 179.35 1m58 h GLY 43 N 0.57 0.18 2.00 1.56 0.00 -1.98 0.13 103.07 105.53 1m58 h GLY 43 Ca -0.21 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1m58 h GLY 43 CO 0.25 0.40 -0.03 -0.09 0.00 0.00 0.00 176.54 177.07 1m58 h ARG 44 N 0.04 0.00 0.00 4.80 9.65 -1.98 -3.26 114.38 123.62 1m58 h ARG 44 Ca -0.08 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1m58 h ARG 44 Cb 1.89 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.45 1m58 h ARG 44 CO 0.17 0.03 -1.76 0.28 2.80 0.00 0.00 179.97 181.49 1m58 n VAL 45 N -3.11 0.34 -0.24 0.20 0.31 -1.08 -4.48 118.33 110.28 1m58 n VAL 45 Ca 0.02 -0.42 0.09 0.00 -0.01 0.00 0.00 64.34 64.03 1m58 n VAL 45 Cb 0.45 -0.13 0.36 0.00 -0.91 0.00 0.00 33.84 33.61 1m58 n VAL 45 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1m58 h GLN 46 N 0.00 0.71 -0.07 5.55 1.08 -0.78 0.13 115.11 121.74 1m58 h GLN 46 Ca -0.14 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.01 1m58 h GLN 46 Cb 1.10 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1m58 h GLN 46 CO 0.01 0.47 -0.02 0.00 -0.95 0.00 0.00 178.83 178.34 1m58 h ALA 47 N 1.59 1.85 0.00 3.87 0.00 -1.79 0.55 119.26 125.33 1m58 h ALA 47 Ca 0.39 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1m58 h ALA 47 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1m58 h ALA 47 CO -0.16 0.12 -0.76 1.25 0.00 0.00 0.00 179.25 179.70 1m58 h LEU 48 N 0.09 0.00 -3.21 0.00 5.85 -1.01 -3.28 115.31 113.75 1m58 h LEU 48 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1m58 h LEU 48 Cb 0.10 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1m58 h LEU 48 CO 0.00 0.76 -0.03 0.00 -0.34 0.00 0.00 178.44 178.84 1m58 n LYS 50 N -0.87 2.63 -1.11 0.00 4.76 0.18 -3.12 118.16 120.64 1m58 n LYS 50 Ca 0.23 -3.45 0.02 0.00 -2.87 0.00 0.00 58.31 52.24 1m58 n LYS 50 Cb 0.86 -2.15 0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1m58 n LYS 50 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1m58 n ASN 51 N -0.95 0.50 -3.74 4.39 6.94 -1.26 -5.02 115.26 116.12 1m58 n ASN 51 Ca 0.50 -1.96 -0.16 0.00 -0.02 0.00 0.00 54.58 52.94 1m58 n ASN 51 Cb 0.98 -0.21 -0.16 0.00 -2.36 0.00 0.00 39.78 38.02 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1m58 s ILE 52 N 0.00 -0.08 -0.22 1.53 -1.09 -1.26 -5.04 121.20 115.05 1m58 s ILE 52 Ca 0.20 0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.87 1m58 s ILE 52 Cb 0.23 -0.11 -0.13 0.00 -1.58 0.00 0.00 42.46 40.87 1m58 s ILE 52 CO -0.10 0.11 -0.22 -0.38 -1.23 0.00 0.00 174.94 173.12 1m58 n ILE 53 N 4.50 1.23 -3.29 2.92 -0.00 -1.26 -2.07 119.36 121.40 1m58 n ILE 53 Ca -0.21 -0.42 -0.23 0.00 -0.00 0.00 0.00 62.75 61.89 1m58 n ILE 53 Cb 0.50 -1.43 -0.00 0.00 -0.00 0.00 0.00 39.64 38.71 1m58 n ILE 53 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1m58 s VAL 54 N -2.42 4.56 -0.15 1.39 0.11 -1.26 -2.80 120.40 119.82 1m58 s VAL 54 Ca -0.30 -0.60 -0.33 0.00 -2.93 0.00 0.00 61.98 57.83 1m58 s VAL 54 Cb 0.09 -3.65 -0.10 0.00 -1.53 0.00 0.00 36.38 31.19 1m58 s VAL 54 CO 0.46 -0.40 2.02 -1.54 -3.33 0.00 0.00 175.10 172.32 1m58 n SER 55 N -1.84 3.26 -3.43 3.54 3.41 -1.26 -4.49 113.62 112.80 1m58 n SER 55 Ca -0.02 0.70 -0.16 0.00 -0.26 0.00 0.00 58.87 59.12 1m58 n SER 55 Cb 0.57 -1.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.05 1m58 n SER 55 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1m58 s LYS 56 N 5.01 1.75 -0.16 4.33 2.20 -0.18 -4.99 119.74 127.70 1m58 s LYS 56 Ca 0.97 -1.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1m58 s LYS 56 Cb -0.62 0.37 0.01 0.00 -1.51 0.00 0.00 37.83 36.09 1m58 s LYS 56 CO 0.47 -0.68 -0.20 -0.80 -0.36 0.00 0.00 175.35 173.78 1m58 s ASN 57 N -3.28 3.23 0.29 1.43 0.02 -1.26 -0.26 114.94 115.10 1m58 s ASN 57 Ca 0.36 -0.59 0.10 0.00 -1.02 0.00 0.00 52.86 51.71 1m58 s ASN 57 Cb 0.02 -1.48 -0.05 0.00 0.02 0.00 0.00 41.25 39.76 1m58 s ASN 57 CO 0.22 0.05 -0.08 0.54 0.02 0.00 0.00 177.10 177.86 1m58 s VAL 58 N 0.99 2.87 -0.04 1.60 0.11 -0.69 -4.92 120.40 120.32 1m58 s VAL 58 Ca -0.03 -2.12 0.06 0.00 -2.93 0.00 0.00 61.98 56.96 1m58 s VAL 58 Cb -0.15 -2.62 -0.01 0.00 -1.53 0.00 0.00 36.38 32.07 1m58 s VAL 58 CO -0.05 -0.34 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.39 1m58 s LEU 59 N -3.62 2.02 -0.09 2.54 1.43 -1.26 -2.18 118.68 117.52 1m58 s LEU 59 Ca 0.32 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1m58 s LEU 59 Cb -0.04 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1m58 s LEU 59 CO 0.18 0.24 1.21 -0.94 0.23 0.00 0.00 176.35 177.27 1m58 s SER 60 N -0.26 7.02 0.23 2.29 1.04 -0.93 -4.91 113.70 118.17 1m58 s SER 60 Ca 0.01 1.77 0.10 0.00 0.48 0.00 0.00 55.95 58.30 1m58 s SER 60 Cb -0.11 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.63 1m58 s SER 60 CO 0.01 -0.63 1.51 0.74 0.98 0.00 0.00 173.24 175.85 1m58 h THR 61 N 5.16 1.52 -2.84 2.02 2.02 -1.99 -3.42 112.91 115.38 1m58 h THR 61 Ca -0.32 -2.53 -0.64 0.00 0.77 0.00 0.00 66.41 63.69 1m58 h THR 61 Cb 1.14 2.37 -0.08 0.00 -1.74 0.00 0.00 68.15 69.84 1m58 h THR 61 CO 0.91 0.72 -0.43 -1.81 0.37 0.00 0.00 175.52 175.28 1m58 s ASP 62 N -6.79 6.43 0.16 4.18 1.01 -1.26 -5.04 116.67 115.36 1m58 s ASP 62 Ca -0.00 0.51 -0.31 0.00 0.71 0.00 0.00 52.55 53.45 1m58 s ASP 62 Cb 0.12 -2.11 -0.09 0.00 1.01 0.00 0.00 42.92 41.85 1m58 s ASP 62 CO 0.78 0.34 1.49 -1.61 0.21 0.00 0.00 175.17 176.38 1m58 s GLU 63 N -0.72 4.26 0.13 8.23 8.01 -1.26 -4.63 118.70 132.72 1m58 s GLU 63 Ca 0.15 2.25 0.07 0.00 0.01 0.00 0.00 54.97 57.46 1m58 s GLU 63 Cb -0.13 -3.18 -0.04 0.00 -4.31 0.00 0.00 34.13 26.47 1m58 s GLU 63 CO 0.04 -0.52 -0.06 -0.06 0.01 0.00 0.00 175.26 174.68 1m58 s PHE 64 N 0.96 2.79 0.21 1.61 0.08 -0.93 -4.76 117.98 117.94 1m58 s PHE 64 Ca 0.67 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 57.28 1m58 s PHE 64 Cb -0.41 -1.41 -0.08 0.00 -0.57 0.00 0.00 43.02 40.54 1m58 s PHE 64 CO 0.32 0.47 1.08 0.71 -0.10 0.00 0.00 175.22 177.71 1m58 s TYR 65 N -1.44 3.63 -0.21 0.36 2.02 -1.26 -0.79 117.35 119.66 1m58 s TYR 65 Ca 0.24 1.66 0.01 0.00 -0.37 0.00 0.00 57.07 58.61 1m58 s TYR 65 Cb -0.10 -3.25 0.05 0.00 -0.40 0.00 0.00 41.96 38.26 1m58 s TYR 65 CO 0.16 -0.48 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.08 1m58 s LEU 66 N -0.71 2.30 -0.33 -1.29 1.43 0.28 -2.30 118.68 118.06 1m58 s LEU 66 Ca 0.47 -0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1m58 s LEU 66 Cb -0.30 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 44.85 1m58 s LEU 66 CO 0.36 -0.20 0.05 -0.55 0.23 0.00 0.00 176.35 176.24 1m58 s SER 67 N 1.44 4.93 0.24 2.29 0.15 0.01 -1.78 113.70 120.98 1m58 s SER 67 Ca -0.03 -1.57 0.12 0.00 0.70 0.00 0.00 55.95 55.16 1m58 s SER 67 Cb -0.17 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1m58 s SER 67 CO -0.07 -0.34 -0.22 1.51 1.20 0.00 0.00 173.24 175.32 1m58 s ASP 68 N 1.34 3.49 0.02 5.45 1.47 -0.77 -1.16 116.67 126.51 1m58 s ASP 68 Ca -0.00 -0.96 0.03 0.00 1.18 0.00 0.00 52.55 52.80 1m58 s ASP 68 Cb -0.20 -0.28 -0.04 0.00 -0.34 0.00 0.00 42.92 42.07 1m58 s ASP 68 CO -0.03 0.07 -0.04 0.00 0.68 0.00 0.00 175.17 175.85 1m58 s ASN 70 N -1.64 1.78 -0.33 0.00 0.01 -0.66 -2.51 114.94 111.59 1m58 s ASN 70 Ca 0.19 -0.29 -0.28 0.00 -0.71 0.00 0.00 52.86 51.77 1m58 s ASN 70 Cb -0.11 -0.50 -0.02 0.00 0.41 0.00 0.00 41.25 41.02 1m58 s ASN 70 CO 0.10 0.11 1.83 -0.60 -1.51 0.00 0.00 177.10 177.03 1m58 s ARG 71 N 0.13 3.30 -0.22 -0.60 3.00 -0.15 -2.78 118.95 121.63 1m58 s ARG 71 Ca -0.04 1.44 -0.07 0.00 -1.00 0.00 0.00 55.73 56.07 1m58 s ARG 71 Cb -0.11 -4.21 -0.11 0.00 0.00 0.00 0.00 34.95 30.52 1m58 s ARG 71 CO 0.02 -1.89 -0.26 -0.89 0.00 0.00 0.00 175.30 172.28 1m58 n ILE 72 N 7.43 1.24 -3.28 4.11 2.08 -1.26 -5.02 119.36 124.67 1m58 n ILE 72 Ca 0.23 -0.37 0.03 0.00 0.56 0.00 0.00 62.75 63.20 1m58 n ILE 72 Cb 0.47 -1.61 -0.03 0.00 -0.75 0.00 0.00 39.64 37.72 1m58 n ILE 72 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1m58 s LYS 73 N -2.42 0.20 1.08 0.38 -2.85 -1.23 -5.11 119.74 109.79 1m58 s LYS 73 Ca -0.31 0.46 -0.21 0.00 -1.00 0.00 0.00 55.97 54.91 1m58 s LYS 73 Cb 0.10 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1m58 s LYS 73 CO 0.43 -0.10 -0.47 1.28 0.10 0.00 0.00 175.35 176.59 1m58 n LEU 74 N 4.98 -2.54 -0.04 2.77 4.32 -1.26 -3.66 117.00 121.57 1m58 n LEU 74 Ca -0.08 -0.07 -0.01 0.00 -0.02 0.00 0.00 56.01 55.83 1m58 n LEU 74 Cb 0.54 -0.82 -0.01 0.00 -1.62 0.00 0.00 43.42 41.51 1m58 n LEU 74 CO -0.06 -2.98 0.03 1.55 -1.22 0.00 0.00 177.39 174.70 1m58 h PRO 75 N -1.72 -0.03 -0.19 3.23 0.13 -2.02 -3.41 132.00 127.99 1m58 h PRO 75 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 1m58 h PRO 75 Cb 1.37 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.36 1m58 h PRO 75 CO 0.33 0.01 -0.65 0.00 -0.23 0.00 0.00 178.00 177.46 1m58 s HIS 77 N -3.03 3.87 0.43 0.00 5.04 -1.24 -4.70 115.29 115.66 1m58 s HIS 77 Ca 0.40 -2.21 0.07 0.00 -1.54 0.00 0.00 55.06 51.78 1m58 s HIS 77 Cb 0.38 -3.93 -0.03 0.00 0.04 0.00 0.00 32.58 29.05 1m58 s HIS 77 CO -0.05 -1.07 0.29 0.71 -2.34 0.00 0.00 174.74 172.28 1m58 s TYR 78 N 0.03 2.54 0.09 3.88 2.02 -1.26 -3.52 117.35 121.12 1m58 s TYR 78 Ca 0.27 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1m58 s TYR 78 Cb -0.09 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1m58 s TYR 78 CO -0.08 -0.03 -0.11 0.21 -1.57 0.00 0.00 175.55 173.98 1m58 s LYS 79 N -4.05 2.16 -0.14 -0.62 2.20 -1.12 -4.86 119.74 113.32 1m58 s LYS 79 Ca 0.43 -0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 55.03 1m58 s LYS 79 Cb 0.00 -2.31 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 1m58 s LYS 79 CO 0.25 0.52 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.52 1m58 s LEU 80 N -2.02 3.06 -0.33 5.43 2.96 -1.26 -1.65 118.68 124.87 1m58 s LEU 80 Ca 0.20 -0.18 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1m58 s LEU 80 Cb -0.11 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.91 1m58 s LEU 80 CO 0.12 0.19 0.07 -0.75 -1.32 0.00 0.00 176.35 174.66 1m58 s LYS 81 N 0.22 2.51 -0.22 1.98 2.20 0.56 -4.94 119.74 122.05 1m58 s LYS 81 Ca -0.05 -1.26 -0.05 0.00 -0.36 0.00 0.00 55.97 54.25 1m58 s LYS 81 Cb -0.14 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1m58 s LYS 81 CO 0.04 -0.68 0.01 0.21 -0.36 0.00 0.00 175.35 174.57 1m58 s LYS 82 N 1.33 3.57 -0.22 4.03 2.36 -1.25 -1.85 119.74 127.70 1m58 s LYS 82 Ca -0.02 -0.54 -0.20 0.00 -2.55 0.00 0.00 55.97 52.66 1m58 s LYS 82 Cb -0.20 -3.12 0.06 0.00 -1.05 0.00 0.00 37.83 33.52 1m58 s LYS 82 CO 0.01 -0.09 0.58 -1.12 1.55 0.00 0.00 175.35 176.28 1m58 s SER 83 N 1.27 -0.61 -0.32 1.43 0.01 -0.73 -4.95 113.70 109.80 1m58 s SER 83 Ca 0.04 1.17 -0.19 0.00 1.31 0.00 0.00 55.95 58.27 1m58 s SER 83 Cb -0.15 1.18 -0.01 0.00 0.21 0.00 0.00 66.02 67.25 1m58 s SER 83 CO 0.01 -0.20 0.58 -0.94 0.41 0.00 0.00 173.24 173.10 1m58 s SER 84 N 0.35 6.42 0.10 2.44 1.04 -1.26 -0.56 113.70 122.24 1m58 s SER 84 Ca -0.00 0.27 -0.25 0.00 0.48 0.00 0.00 55.95 56.45 1m58 s SER 84 Cb -0.04 -2.30 0.07 0.00 0.10 0.00 0.00 66.02 63.84 1m58 s SER 84 CO 0.00 -0.47 0.62 0.21 0.98 0.00 0.00 173.24 174.58 1m58 s ASN 85 N 1.69 -0.59 0.65 7.02 2.47 0.03 -4.81 114.94 121.40 1m58 s ASN 85 Ca 0.23 0.18 -0.11 0.00 0.42 0.00 0.00 52.86 53.57 1m58 s ASN 85 Cb -0.15 0.58 -0.02 0.00 -1.45 0.00 0.00 41.25 40.21 1m58 s ASN 85 CO 0.12 -0.87 1.05 0.42 -3.72 0.00 0.00 177.10 174.10 1m58 s THR 86 N -3.09 4.29 0.05 -5.21 -4.23 -1.26 -2.19 115.64 104.00 1m58 s THR 86 Ca -0.02 0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1m58 s THR 86 Cb -0.01 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1m58 s THR 86 CO -0.07 -0.97 -0.02 0.27 -0.54 0.00 0.00 174.62 173.29 1m58 s ILE 87 N -3.22 0.20 -0.20 2.99 -4.36 -1.26 -2.45 121.20 112.90 1m58 s ILE 87 Ca 0.56 -1.67 -0.04 0.00 -0.26 0.00 0.00 60.65 59.24 1m58 s ILE 87 Cb -0.11 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 1m58 s ILE 87 CO 0.53 -0.92 -0.02 0.00 0.24 0.00 0.00 174.94 174.77 1m58 s ILE 89 N 1.04 1.77 -0.58 0.00 -0.00 -0.93 -0.37 121.20 122.14 1m58 s ILE 89 Ca 0.01 -1.96 -0.27 0.00 -0.00 0.00 0.00 60.65 58.44 1m58 s ILE 89 Cb -0.14 -1.86 0.03 0.00 -0.00 0.00 0.00 42.46 40.49 1m58 s ILE 89 CO 0.01 -0.37 1.13 -0.89 -0.00 0.00 0.00 174.94 174.82 1m58 s THR 90 N -2.21 4.10 0.11 8.37 2.01 -0.31 -1.71 115.64 126.00 1m58 s THR 90 Ca 0.16 0.71 -0.23 0.00 0.31 0.00 0.00 61.69 62.64 1m58 s THR 90 Cb -0.05 -4.69 -0.07 0.00 0.01 0.00 0.00 72.50 67.71 1m58 s THR 90 CO 0.06 -1.30 0.71 0.00 -0.69 0.00 0.00 174.62 173.40 1m58 s GLU 92 N -0.89 0.52 -1.08 0.00 2.12 0.02 -1.01 118.70 118.38 1m58 s GLU 92 Ca 0.34 0.71 -0.06 0.00 0.36 0.00 0.00 54.97 56.32 1m58 s GLU 92 Cb -0.21 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.38 1m58 s GLU 92 CO 0.23 -0.08 0.85 -1.71 -0.54 0.00 0.00 175.26 174.01 1m58 n ASN 93 N 2.89 -5.36 -0.60 -1.70 4.05 -1.12 -2.20 115.26 111.22 1m58 n ASN 93 Ca -0.15 -0.38 -0.08 0.00 0.45 0.00 0.00 54.58 54.42 1m58 n ASN 93 Cb 0.57 -4.00 -0.03 0.00 1.23 0.00 0.00 39.78 37.54 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1m58 n LYS 94 N -3.88 -1.31 -3.71 1.20 5.02 -0.88 -4.96 118.16 109.64 1m58 n LYS 94 Ca -0.01 0.71 -0.14 0.00 -2.02 0.00 0.00 58.31 56.85 1m58 n LYS 94 Cb 0.55 -4.86 -0.08 0.00 -0.02 0.00 0.00 35.03 30.62 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 -1.78 0.53 0.39 -0.35 0.05 -0.93 -4.31 118.68 112.28 1m58 s LEU 95 Ca 0.00 0.27 -0.23 0.00 0.05 0.00 0.00 54.13 54.22 1m58 s LEU 95 Cb 0.00 1.52 -0.11 0.00 -2.05 0.00 0.00 46.19 45.56 1m58 s LEU 95 CO 0.00 -0.45 0.95 -2.16 -0.55 0.00 0.00 176.35 174.14 1m58 s PRO 96 N -1.17 4.33 0.00 1.48 0.04 -1.26 -0.80 135.00 137.62 1m58 s PRO 96 Ca -0.12 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1m58 s PRO 96 Cb -0.04 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1m58 s PRO 96 CO 0.05 0.06 0.34 1.33 0.04 0.00 0.00 177.00 178.82 1m58 n VAL 97 N -0.23 0.00 -3.48 -0.36 0.24 -0.78 -3.90 118.33 109.82 1m58 n VAL 97 Ca 0.05 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.21 1m58 n VAL 97 Cb 0.53 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.86 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 -0.58 -0.34 6.34 3.76 -1.25 -4.76 115.29 118.46 1m58 s HIS 98 Ca 0.00 0.71 -0.17 0.00 -0.15 0.00 0.00 55.06 55.45 1m58 s HIS 98 Cb 0.00 0.48 -0.01 0.00 1.11 0.00 0.00 32.58 34.16 1m58 s HIS 98 CO 0.00 -0.70 0.44 0.12 -0.85 0.00 0.00 174.74 173.76 1m58 s PHE 99 N -2.39 3.20 -0.15 1.40 5.36 -1.26 -1.16 117.98 122.97 1m58 s PHE 99 Ca -0.05 0.12 -0.12 0.00 -0.96 0.00 0.00 56.93 55.93 1m58 s PHE 99 Cb -0.01 -2.79 -0.07 0.00 -0.34 0.00 0.00 43.02 39.81 1m58 s PHE 99 CO -0.01 -0.47 -0.01 0.28 -1.46 0.00 0.00 175.22 173.54 1m58 h VAL 100 N 5.56 0.30 -0.98 3.12 2.07 -1.02 -3.47 116.25 121.83 1m58 h VAL 100 Ca -0.29 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1m58 h VAL 100 Cb 1.13 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1m58 h VAL 100 CO 0.73 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.42 1m58 n ALA 101 N -3.40 0.00 -2.05 1.67 0.00 -0.75 -4.98 120.51 111.00 1m58 n ALA 101 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1m58 n ALA 101 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.14 0.00 0.24 -1.26 -0.39 118.33 116.78 1m58 n VAL 102 Ca 0.00 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.58 1m58 n VAL 102 Cb 0.00 0.00 0.66 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 0.00 -4.86 7.34 4.81 -1.82 -3.19 114.58 116.87 1m58 h GLU 103 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1m58 h GLU 103 Cb 0.00 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 1m58 h GLU 103 CO 0.00 0.00 -0.65 -1.21 -0.73 0.00 0.00 179.01 176.42 1m58 s GLU 104 N -4.64 3.17 -0.40 1.92 8.01 -1.26 -4.95 118.70 120.55 1m58 s GLU 104 Ca -0.04 -0.79 -0.10 0.00 0.01 0.00 0.00 54.97 54.04 1m58 s GLU 104 Cb 0.17 -3.29 0.05 0.00 -4.31 0.00 0.00 34.13 26.76 1m58 s GLU 104 CO 0.59 -0.38 0.24 0.00 0.01 0.00 0.00 175.26 175.72