#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 0.66 0.45 0.03 0.74 -1.26 -5.03 119.66 115.25 1m58 s GLN 2 Ca 0.00 -0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.16 1m58 s GLN 2 Cb 0.00 -1.82 -0.01 0.00 1.10 0.00 0.00 33.01 32.28 1m58 s GLN 2 CO 0.00 -0.55 0.11 0.09 -0.55 0.00 0.00 175.29 174.39 1m58 n ASN 3 N 5.07 1.80 0.13 6.67 3.02 -1.26 -4.98 115.26 125.71 1m58 n ASN 3 Ca -0.09 -3.27 0.16 0.00 -0.03 0.00 0.00 54.58 51.36 1m58 n ASN 3 Cb 0.48 0.90 0.72 0.00 -0.61 0.00 0.00 39.78 41.27 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 1.59 0.00 0.51 3.10 -0.00 -1.90 0.84 115.95 120.09 1m58 h TRP 4 Ca -0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.51 1m58 h TRP 4 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.44 1m58 h TRP 4 CO 0.00 0.00 -0.24 1.49 -0.00 0.00 0.00 178.44 179.69 1m58 h GLU 5 N 0.00 -0.65 -0.92 2.65 4.22 -1.95 0.60 114.58 118.52 1m58 h GLU 5 Ca 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.61 1m58 h GLU 5 Cb 0.61 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1m58 h GLU 5 CO -0.00 -0.44 0.53 1.15 -2.18 0.00 0.00 179.01 178.07 1m58 h THR 6 N -1.00 1.26 -0.01 0.32 2.02 -1.91 -1.39 112.91 112.20 1m58 h THR 6 Ca -0.07 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 1m58 h THR 6 Cb 0.52 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1m58 h THR 6 CO 0.11 0.28 -0.23 0.15 0.37 0.00 0.00 175.52 176.21 1m58 h PHE 7 N 1.28 0.01 -0.39 3.16 3.57 -0.88 -2.40 116.94 121.29 1m58 h PHE 7 Ca 0.33 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 1m58 h PHE 7 Cb -0.01 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1m58 h PHE 7 CO 0.01 0.24 -0.26 1.96 -2.23 0.00 0.00 178.31 178.03 1m58 h GLN 8 N 0.01 0.82 -0.15 1.11 4.20 0.26 0.97 115.11 122.32 1m58 h GLN 8 Ca 0.00 -0.35 -0.13 0.00 0.06 0.00 0.00 58.65 58.23 1m58 h GLN 8 Cb 0.41 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1m58 h GLN 8 CO 0.03 0.98 -0.46 0.87 -0.67 0.00 0.00 178.83 179.58 1m58 h LYS 9 N 0.70 0.38 0.04 1.46 1.57 -1.11 0.36 116.57 119.98 1m58 h LYS 9 Ca 0.09 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 1m58 h LYS 9 Cb 0.79 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1m58 h LYS 9 CO 0.07 0.77 -0.95 0.87 -0.57 0.00 0.00 179.45 179.64 1m58 h LYS 10 N 0.31 0.09 -0.56 3.15 1.57 -1.34 -3.39 116.57 116.40 1m58 h LYS 10 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1m58 h LYS 10 Cb 0.93 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1m58 h LYS 10 CO 0.08 1.08 0.00 0.72 -0.57 0.00 0.00 179.45 180.76 1m58 n HIS 11 N -4.30 0.94 -4.02 -1.35 8.25 0.32 -4.44 115.22 110.63 1m58 n HIS 11 Ca -0.23 -0.55 -0.08 0.00 -0.26 0.00 0.00 57.72 56.60 1m58 n HIS 11 Cb 0.71 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.34 2.25 0.24 2.41 1.02 0.12 -0.04 118.68 123.35 1m58 s LEU 12 Ca 0.41 -0.77 -0.10 0.00 0.02 0.00 0.00 54.13 53.70 1m58 s LEU 12 Cb 0.24 0.28 -0.01 0.00 0.02 0.00 0.00 46.19 46.72 1m58 s LEU 12 CO 0.24 -0.51 0.39 -0.89 0.02 0.00 0.00 176.35 175.61 1m58 s THR 13 N -3.01 0.00 -0.44 5.49 2.01 0.77 -4.43 115.64 116.03 1m58 s THR 13 Ca -0.01 -1.56 0.15 0.00 0.31 0.00 0.00 61.69 60.57 1m58 s THR 13 Cb 0.01 -2.29 0.47 0.00 0.01 0.00 0.00 72.50 70.70 1m58 s THR 13 CO -0.07 0.00 1.38 -0.67 -0.69 0.00 0.00 174.62 174.57 1m58 n ASP 14 N -0.38 3.64 -3.81 3.53 -0.08 -1.26 -4.15 116.55 114.04 1m58 n ASP 14 Ca -0.01 -2.68 -0.13 0.00 -1.51 0.00 0.00 54.79 50.47 1m58 n ASP 14 Cb 0.63 -0.45 -0.13 0.00 2.34 0.00 0.00 41.12 43.51 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1m58 s THR 15 N -2.22 -0.01 0.07 5.18 -4.23 -1.26 -5.05 115.64 108.13 1m58 s THR 15 Ca 0.36 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.80 1m58 s THR 15 Cb 0.27 -0.21 -0.29 0.00 1.34 0.00 0.00 72.50 73.61 1m58 s THR 15 CO 0.12 0.01 1.12 -0.09 -0.54 0.00 0.00 174.62 175.23 1m58 h ARG 16 N 6.08 0.43 -2.03 3.99 2.43 -1.96 -3.30 114.38 120.02 1m58 h ARG 16 Ca -0.27 -0.66 -0.55 0.00 -0.81 0.00 0.00 59.98 57.69 1m58 h ARG 16 Cb 1.19 0.23 -0.19 0.00 -0.42 0.00 0.00 29.97 30.79 1m58 h ARG 16 CO 0.42 1.30 0.57 -3.47 -1.51 0.00 0.00 179.97 177.27 1m58 n ASP 17 N -3.66 6.68 -4.35 -3.80 2.03 -1.26 -4.93 116.55 107.27 1m58 n ASP 17 Ca -0.12 -3.29 -0.33 0.00 0.52 0.00 0.00 54.79 51.57 1m58 n ASP 17 Cb 1.02 -1.22 0.11 0.00 -0.72 0.00 0.00 41.12 40.31 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1m58 n VAL 18 N 0.72 0.02 -3.85 5.18 0.31 -1.25 -4.96 118.33 114.49 1m58 n VAL 18 Ca 0.50 -0.24 -0.34 0.00 -0.01 0.00 0.00 64.34 64.25 1m58 n VAL 18 Cb 0.49 -0.52 -0.12 0.00 -0.91 0.00 0.00 33.84 32.78 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 -3.37 1.98 0.57 5.55 -0.14 -1.26 -4.95 119.74 118.12 1m58 s LYS 19 Ca 0.54 -2.11 0.25 0.00 -1.36 0.00 0.00 55.97 53.29 1m58 s LYS 19 Cb -0.21 -3.48 1.64 0.00 -1.68 0.00 0.00 37.83 34.11 1m58 s LYS 19 CO 0.70 -1.07 2.22 0.00 -0.76 0.00 0.00 175.35 176.44 1m58 h ASP 21 N 0.00 -0.50 0.22 0.00 5.19 -1.88 -2.44 116.42 117.02 1m58 h ASP 21 Ca -0.00 -0.01 -0.25 0.00 -0.62 0.00 0.00 57.03 56.14 1m58 h ASP 21 Cb 0.01 0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1m58 h ASP 21 CO 0.00 -0.06 -1.04 0.00 -3.12 0.00 0.00 179.24 175.02 1m58 h ALA 22 N -1.07 0.22 0.30 3.45 0.00 -1.87 -1.85 119.26 118.44 1m58 h ALA 22 Ca -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1m58 h ALA 22 Cb 0.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1m58 h ALA 22 CO 0.10 0.77 -0.14 1.49 0.00 0.00 0.00 179.25 181.46 1m58 h GLU 23 N 0.28 -0.39 0.00 0.00 4.22 -0.37 -1.09 114.58 117.23 1m58 h GLU 23 Ca -0.11 0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.29 1m58 h GLU 23 Cb 1.69 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1m58 h GLU 23 CO 0.19 -0.21 -0.31 1.98 -2.18 0.00 0.00 179.01 178.48 1m58 h MET 24 N -0.48 0.00 -0.25 1.92 4.05 -1.54 -2.73 114.93 115.89 1m58 h MET 24 Ca -0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1m58 h MET 24 Cb 0.36 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1m58 h MET 24 CO 0.07 0.31 0.00 1.17 0.23 0.00 0.00 176.91 178.69 1m58 n LYS 25 N -3.51 1.74 -0.37 0.39 0.00 -0.69 -1.01 118.16 114.71 1m58 n LYS 25 Ca -0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 58.31 57.14 1m58 n LYS 25 Cb 0.47 -1.33 0.09 0.00 0.00 0.00 0.00 35.03 34.26 1m58 n LYS 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1m58 n LYS 26 N 0.38 1.77 -0.89 1.64 5.02 -0.44 -4.82 118.16 120.83 1m58 n LYS 26 Ca 0.14 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 1m58 n LYS 26 Cb 0.30 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m58 n ALA 27 N 0.05 0.00 0.03 7.82 0.00 -1.26 -4.86 120.51 122.30 1m58 n ALA 27 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.39 1m58 n ALA 27 Cb 0.76 -0.41 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 1m58 n ALA 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m58 h LEU 28 N 0.00 0.44 0.00 0.00 5.85 -1.80 -3.40 115.31 116.39 1m58 h LEU 28 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1m58 h LEU 28 Cb 0.13 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1m58 h LEU 28 CO 0.00 1.50 -0.53 0.49 -0.34 0.00 0.00 178.44 179.56 1m58 n PHE 29 N -4.03 0.00 -3.27 1.25 3.72 -1.23 -5.02 117.46 108.87 1m58 n PHE 29 Ca -0.19 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.04 1m58 n PHE 29 Cb 0.86 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.46 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 -1.26 -5.16 -3.38 4.37 -0.08 -0.69 -3.12 116.55 107.24 1m58 n ASP 30 Ca 0.00 -0.38 -0.17 0.00 -1.51 0.00 0.00 54.79 52.73 1m58 n ASP 30 Cb 0.00 -3.76 0.08 0.00 2.34 0.00 0.00 41.12 39.78 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 -3.89 -2.14 -0.04 0.00 4.81 -1.18 -4.88 118.16 110.84 1m58 n LYS 32 Ca -0.23 -0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 56.71 1m58 n LYS 32 Cb 0.66 -0.75 -0.00 0.00 0.02 0.00 0.00 35.03 34.96 1m58 n LYS 32 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1m58 h GLN 33 N 0.00 -0.01 -2.59 1.64 7.50 -1.93 -3.47 115.11 116.25 1m58 h GLN 33 Ca -0.14 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 58.92 1m58 h GLN 33 Cb 0.46 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 27.80 1m58 h GLN 33 CO 0.08 -0.01 -0.07 -1.59 -1.50 0.00 0.00 178.83 175.74 1m58 s LYS 34 N -1.55 0.84 0.09 1.46 -2.85 -1.26 -1.06 119.74 115.40 1m58 s LYS 34 Ca -0.00 -0.00 -0.11 0.00 -1.00 0.00 0.00 55.97 54.85 1m58 s LYS 34 Cb 0.00 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1m58 s LYS 34 CO 0.01 -0.25 0.26 1.21 0.10 0.00 0.00 175.35 176.67 1m58 s ASN 35 N -1.29 -0.01 -0.39 0.03 2.47 -0.91 -4.97 114.94 109.88 1m58 s ASN 35 Ca -0.12 -0.48 -0.06 0.00 0.42 0.00 0.00 52.86 52.62 1m58 s ASN 35 Cb -0.03 0.37 0.08 0.00 -1.45 0.00 0.00 41.25 40.22 1m58 s ASN 35 CO 0.07 -0.73 0.19 -0.89 -3.72 0.00 0.00 177.10 172.02 1m58 s THR 36 N -3.54 3.73 0.08 -5.21 2.01 -1.26 -0.74 115.64 110.71 1m58 s THR 36 Ca 0.02 -1.57 -0.02 0.00 0.31 0.00 0.00 61.69 60.43 1m58 s THR 36 Cb 0.03 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1m58 s THR 36 CO -0.10 -0.48 0.26 -0.36 -0.69 0.00 0.00 174.62 173.26 1m58 s PHE 37 N 1.31 3.51 0.31 4.92 0.40 -0.27 -4.35 117.98 123.81 1m58 s PHE 37 Ca 0.03 0.35 0.10 0.00 -0.60 0.00 0.00 56.93 56.81 1m58 s PHE 37 Cb -0.22 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 1m58 s PHE 37 CO -0.00 0.54 -0.05 0.42 0.70 0.00 0.00 175.22 176.83 1m58 s ILE 38 N -1.55 2.76 -0.22 0.64 1.01 0.95 -0.89 121.20 123.89 1m58 s ILE 38 Ca 0.37 -2.07 -0.02 0.00 0.00 0.00 0.00 60.65 58.93 1m58 s ILE 38 Cb -0.13 -2.69 0.07 0.00 0.01 0.00 0.00 42.46 39.72 1m58 s ILE 38 CO 0.27 -0.29 0.03 -0.47 0.00 0.00 0.00 174.94 174.48 1m58 s TYR 39 N -2.48 1.42 -0.01 3.97 5.04 -1.00 -0.17 117.35 124.12 1m58 s TYR 39 Ca 0.33 -1.18 -0.28 0.00 -2.44 0.00 0.00 57.07 53.49 1m58 s TYR 39 Cb -0.02 -1.24 0.10 0.00 0.35 0.00 0.00 41.96 41.14 1m58 s TYR 39 CO 0.18 -0.69 1.28 0.00 -1.34 0.00 0.00 175.55 174.99 1m58 s ALA 40 N 1.72 -2.45 0.18 3.97 0.00 -1.26 -3.75 121.76 120.18 1m58 s ALA 40 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1m58 s ALA 40 Cb -0.17 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 1m58 s ALA 40 CO -0.10 -1.14 0.33 1.03 0.00 0.00 0.00 175.76 175.87 1m58 s ARG 41 N -2.04 3.46 0.32 0.00 0.52 -1.26 -4.86 118.95 115.09 1m58 s ARG 41 Ca 0.29 -0.54 0.17 0.00 -0.52 0.00 0.00 55.73 55.12 1m58 s ARG 41 Cb -0.00 -2.92 0.29 0.00 0.52 0.00 0.00 34.95 32.84 1m58 s ARG 41 CO -0.01 0.47 1.55 -1.00 0.02 0.00 0.00 175.30 176.33 1m58 h PRO 42 N 1.97 0.00 0.00 3.54 0.13 -2.00 -3.18 132.00 132.46 1m58 h PRO 42 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 1m58 h PRO 42 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1m58 h PRO 42 CO 0.67 0.43 -0.62 0.78 -0.23 0.00 0.00 178.00 179.04 1m58 h GLY 43 N 3.07 0.00 2.00 1.56 0.00 -1.99 -1.52 103.07 106.18 1m58 h GLY 43 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1m58 h GLY 43 CO 0.06 0.00 -0.80 -0.09 0.00 0.00 0.00 176.54 175.70 1m58 h ARG 44 N 0.00 0.00 0.05 4.80 2.43 -1.97 -3.17 114.38 116.52 1m58 h ARG 44 Ca -0.01 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 1m58 h ARG 44 Cb 1.22 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1m58 h ARG 44 CO 0.08 0.80 -1.43 0.28 -1.51 0.00 0.00 179.97 178.19 1m58 h VAL 45 N 0.00 1.23 -0.88 0.20 2.07 -1.53 -3.32 116.25 114.02 1m58 h VAL 45 Ca -0.01 -2.95 -0.01 0.00 0.82 0.00 0.00 66.70 64.55 1m58 h VAL 45 Cb 1.60 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 34.02 1m58 h VAL 45 CO 0.10 0.78 0.50 1.56 0.02 0.00 0.00 177.57 180.54 1m58 h GLN 46 N 0.03 1.22 -0.05 1.57 4.20 -1.33 0.26 115.11 121.01 1m58 h GLN 46 Ca -0.19 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 1m58 h GLN 46 Cb 1.94 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 1m58 h GLN 46 CO 0.13 0.87 -0.01 0.00 -0.67 0.00 0.00 178.83 179.16 1m58 h ALA 47 N 1.33 1.91 0.00 3.87 0.00 -1.64 0.85 119.26 125.57 1m58 h ALA 47 Ca 0.31 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1m58 h ALA 47 Cb -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1m58 h ALA 47 CO -0.05 0.07 -1.26 1.25 0.00 0.00 0.00 179.25 179.26 1m58 h LEU 48 N 0.06 0.00 -3.29 0.00 5.85 -1.33 -3.35 115.31 113.26 1m58 h LEU 48 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1m58 h LEU 48 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1m58 h LEU 48 CO 0.00 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 1m58 n LYS 50 N -0.37 2.66 0.00 0.00 4.76 0.28 -3.77 118.16 121.73 1m58 n LYS 50 Ca 0.22 -3.29 0.00 0.00 -2.87 0.00 0.00 58.31 52.37 1m58 n LYS 50 Cb 0.92 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 -0.94 1.59 -4.74 4.39 0.23 -1.26 -5.03 115.26 109.49 1m58 n ASN 51 Ca 0.61 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 54.27 1m58 n ASN 51 Cb 0.82 0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 38.51 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 -1.38 4.82 -0.14 1.53 -1.09 -1.26 -4.95 121.20 118.72 1m58 s ILE 52 Ca 0.00 1.56 -0.01 0.00 -2.23 0.00 0.00 60.65 59.97 1m58 s ILE 52 Cb 0.00 -4.08 -0.09 0.00 -1.58 0.00 0.00 42.46 36.71 1m58 s ILE 52 CO 0.00 0.35 -0.14 -0.38 -1.23 0.00 0.00 174.94 173.54 1m58 n ILE 53 N 3.00 0.80 -3.25 2.92 -0.00 -1.26 -2.54 119.36 119.04 1m58 n ILE 53 Ca -0.03 -0.29 -0.21 0.00 -0.00 0.00 0.00 62.75 62.22 1m58 n ILE 53 Cb 0.51 -1.13 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 1m58 n ILE 53 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1m58 s VAL 54 N -2.28 4.14 0.03 1.39 1.01 -1.26 -0.82 120.40 122.61 1m58 s VAL 54 Ca -0.19 -0.72 -0.37 0.00 0.00 0.00 0.00 61.98 60.70 1m58 s VAL 54 Cb 0.05 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.79 1m58 s VAL 54 CO 0.31 -0.27 1.48 -1.54 0.00 0.00 0.00 175.10 175.08 1m58 n SER 55 N -1.86 2.13 -3.44 3.32 3.41 -1.26 -4.43 113.62 111.50 1m58 n SER 55 Ca -0.00 1.10 -0.11 0.00 -0.26 0.00 0.00 58.87 59.59 1m58 n SER 55 Cb 0.58 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 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 1.29 1.19 -0.31 4.33 2.47 -0.68 -5.00 119.74 123.03 1m58 s LYS 56 Ca 0.86 -0.43 -0.12 0.00 -1.56 0.00 0.00 55.97 54.72 1m58 s LYS 56 Cb -0.91 0.55 -0.03 0.00 -1.46 0.00 0.00 37.83 35.98 1m58 s LYS 56 CO 0.49 -0.52 0.22 -0.80 0.16 0.00 0.00 175.35 174.90 1m58 s ASN 57 N -2.69 6.05 0.29 1.43 0.01 -1.26 -0.04 114.94 118.73 1m58 s ASN 57 Ca 0.02 -0.20 0.08 0.00 -0.71 0.00 0.00 52.86 52.05 1m58 s ASN 57 Cb -0.01 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 1m58 s ASN 57 CO -0.12 -0.14 0.11 -0.69 -1.51 0.00 0.00 177.10 174.75 1m58 s VAL 58 N 1.75 3.55 -0.03 1.60 1.01 -0.07 -4.92 120.40 123.29 1m58 s VAL 58 Ca 0.07 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.39 1m58 s VAL 58 Cb -0.17 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1m58 s VAL 58 CO 0.11 -0.29 -0.10 -0.76 0.00 0.00 0.00 175.10 174.05 1m58 s LEU 59 N -3.79 1.80 0.25 3.92 1.43 -1.26 -1.73 118.68 119.30 1m58 s LEU 59 Ca 0.34 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 1m58 s LEU 59 Cb -0.05 -0.63 -0.09 0.00 0.03 0.00 0.00 46.19 45.45 1m58 s LEU 59 CO 0.22 0.08 1.16 -0.94 0.23 0.00 0.00 176.35 177.10 1m58 s SER 60 N 0.18 7.15 0.08 2.29 1.04 -1.02 -4.94 113.70 118.48 1m58 s SER 60 Ca -0.03 2.30 0.07 0.00 0.48 0.00 0.00 55.95 58.77 1m58 s SER 60 Cb -0.09 -2.62 -0.22 0.00 0.10 0.00 0.00 66.02 63.18 1m58 s SER 60 CO 0.01 -0.27 1.14 0.74 0.98 0.00 0.00 173.24 175.84 1m58 h THR 61 N 3.32 1.52 -1.00 2.02 2.02 -1.99 -3.43 112.91 115.37 1m58 h THR 61 Ca -0.46 -3.24 -0.52 0.00 0.77 0.00 0.00 66.41 62.96 1m58 h THR 61 Cb 1.21 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 70.38 1m58 h THR 61 CO 0.69 0.88 -0.27 -1.81 0.37 0.00 0.00 175.52 175.38 1m58 s ASP 62 N -6.65 4.96 -0.02 4.18 1.01 -1.26 -5.06 116.67 113.83 1m58 s ASP 62 Ca -0.01 -0.92 -0.19 0.00 0.71 0.00 0.00 52.55 52.13 1m58 s ASP 62 Cb 0.09 -0.02 -0.05 0.00 1.01 0.00 0.00 42.92 43.95 1m58 s ASP 62 CO 0.83 -0.99 0.55 -1.61 0.21 0.00 0.00 175.17 174.16 1m58 s GLU 63 N -4.33 4.27 -0.05 8.23 8.01 -1.26 -4.38 118.70 129.19 1m58 s GLU 63 Ca 0.47 0.65 0.04 0.00 0.01 0.00 0.00 54.97 56.14 1m58 s GLU 63 Cb -0.04 -3.34 -0.03 0.00 -4.31 0.00 0.00 34.13 26.42 1m58 s GLU 63 CO 0.29 0.38 -0.14 -0.06 0.01 0.00 0.00 175.26 175.73 1m58 s PHE 64 N -0.20 2.70 0.37 1.61 0.08 0.18 -4.74 117.98 117.98 1m58 s PHE 64 Ca 0.29 -0.17 -0.28 0.00 0.12 0.00 0.00 56.93 56.89 1m58 s PHE 64 Cb -0.18 -1.63 -0.11 0.00 -0.57 0.00 0.00 43.02 40.53 1m58 s PHE 64 CO 0.16 0.18 1.50 0.71 -0.10 0.00 0.00 175.22 177.67 1m58 s TYR 65 N -0.71 2.59 -0.17 0.36 2.02 -1.25 -2.20 117.35 117.99 1m58 s TYR 65 Ca 0.11 1.12 -0.03 0.00 -0.37 0.00 0.00 57.07 57.91 1m58 s TYR 65 Cb -0.11 -4.04 0.05 0.00 -0.40 0.00 0.00 41.96 37.47 1m58 s TYR 65 CO 0.01 -3.08 0.03 -0.51 -1.57 0.00 0.00 175.55 170.43 1m58 s LEU 66 N -1.94 1.02 -0.29 -1.29 1.43 0.28 -2.37 118.68 115.52 1m58 s LEU 66 Ca 0.54 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1m58 s LEU 66 Cb -0.47 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1m58 s LEU 66 CO 0.62 -0.29 0.01 -0.44 0.23 0.00 0.00 176.35 176.49 1m58 s SER 67 N 1.89 4.84 0.15 2.29 0.01 -0.07 -1.66 113.70 121.16 1m58 s SER 67 Ca 0.00 -1.04 0.11 0.00 1.31 0.00 0.00 55.95 56.33 1m58 s SER 67 Cb -0.16 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1m58 s SER 67 CO -0.08 -0.22 -0.23 1.51 0.41 0.00 0.00 173.24 174.63 1m58 s ASP 68 N 1.34 3.54 -0.03 2.44 -4.77 -1.01 -1.11 116.67 117.07 1m58 s ASP 68 Ca -0.02 -0.73 -0.05 0.00 -3.30 0.00 0.00 52.55 48.45 1m58 s ASP 68 Cb -0.18 -0.34 -0.04 0.00 -1.09 0.00 0.00 42.92 41.27 1m58 s ASP 68 CO -0.01 0.16 0.20 0.00 0.70 0.00 0.00 175.17 176.22 1m58 s ASN 70 N -1.62 1.63 -0.65 0.00 0.01 -0.83 -2.14 114.94 111.34 1m58 s ASN 70 Ca 0.24 -0.26 -0.27 0.00 -0.71 0.00 0.00 52.86 51.87 1m58 s ASN 70 Cb -0.13 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.26 1m58 s ASN 70 CO 0.14 0.14 1.51 -0.60 -1.51 0.00 0.00 177.10 176.78 1m58 s ARG 71 N -0.15 3.04 -0.08 -0.60 3.00 -0.23 -2.80 118.95 121.15 1m58 s ARG 71 Ca 0.02 0.24 0.02 0.00 -1.00 0.00 0.00 55.73 55.01 1m58 s ARG 71 Cb -0.07 -4.23 -0.06 0.00 0.00 0.00 0.00 34.95 30.59 1m58 s ARG 71 CO 0.00 -2.27 -0.05 -0.89 0.00 0.00 0.00 175.30 172.09 1m58 n ILE 72 N 6.79 0.47 -3.32 4.11 2.08 -1.26 -4.97 119.36 123.25 1m58 n ILE 72 Ca 0.11 -0.21 -0.10 0.00 0.56 0.00 0.00 62.75 63.12 1m58 n ILE 72 Cb 0.50 -0.80 -0.06 0.00 -0.75 0.00 0.00 39.64 38.52 1m58 n ILE 72 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1m58 s LYS 73 N -2.16 0.40 1.10 0.38 2.36 -1.23 -5.12 119.74 115.47 1m58 s LYS 73 Ca -0.09 0.18 -0.14 0.00 -2.55 0.00 0.00 55.97 53.37 1m58 s LYS 73 Cb 0.03 -0.35 0.18 0.00 -1.05 0.00 0.00 37.83 36.63 1m58 s LYS 73 CO 0.21 -0.97 0.64 1.28 1.55 0.00 0.00 175.35 178.06 1m58 n LEU 74 N 5.35 -0.94 -0.01 5.43 4.77 -1.26 -3.55 117.00 126.79 1m58 n LEU 74 Ca -0.00 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1m58 n LEU 74 Cb 0.49 -1.19 -0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1m58 n LEU 74 CO -0.00 -3.13 -0.05 1.55 -1.33 0.00 0.00 177.39 174.43 1m58 h PRO 75 N -2.26 0.00 -0.84 3.23 0.13 -2.01 -3.41 132.00 126.84 1m58 h PRO 75 Ca -0.54 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.29 1m58 h PRO 75 Cb 1.33 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.28 1m58 h PRO 75 CO 0.43 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.57 1m58 s HIS 77 N -2.96 3.55 0.48 0.00 3.76 -1.23 -4.58 115.29 114.31 1m58 s HIS 77 Ca 0.53 -2.29 0.05 0.00 -0.15 0.00 0.00 55.06 53.21 1m58 s HIS 77 Cb 0.43 -3.50 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 1m58 s HIS 77 CO 0.12 -0.92 0.19 0.71 -0.85 0.00 0.00 174.74 173.99 1m58 s TYR 78 N 0.25 2.11 0.36 1.40 2.02 -1.26 -3.47 117.35 118.76 1m58 s TYR 78 Ca 0.15 -0.77 0.08 0.00 -0.37 0.00 0.00 57.07 56.17 1m58 s TYR 78 Cb -0.17 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1m58 s TYR 78 CO -0.05 0.01 0.06 0.21 -1.57 0.00 0.00 175.55 174.21 1m58 s LYS 79 N -4.01 2.13 -0.06 -0.62 2.20 -1.12 -4.82 119.74 113.45 1m58 s LYS 79 Ca 0.29 -1.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.15 1m58 s LYS 79 Cb 0.02 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.40 1m58 s LYS 79 CO 0.17 0.06 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.91 1m58 s LEU 80 N -3.77 1.75 -0.33 5.43 2.96 -1.26 -1.97 118.68 121.49 1m58 s LEU 80 Ca 0.37 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1m58 s LEU 80 Cb 0.01 -0.85 0.06 0.00 0.50 0.00 0.00 46.19 45.91 1m58 s LEU 80 CO 0.20 0.07 0.07 -0.54 -1.32 0.00 0.00 176.35 174.83 1m58 s LYS 81 N 0.44 2.40 -0.23 1.98 3.01 -0.36 -4.92 119.74 122.06 1m58 s LYS 81 Ca -0.11 -1.35 -0.10 0.00 -1.01 0.00 0.00 55.97 53.40 1m58 s LYS 81 Cb -0.14 -3.34 -0.05 0.00 -1.01 0.00 0.00 37.83 33.29 1m58 s LYS 81 CO 0.03 -0.72 0.15 0.15 0.51 0.00 0.00 175.35 175.47 1m58 s LYS 82 N 1.27 4.07 -0.07 1.68 3.01 -1.25 -2.41 119.74 126.04 1m58 s LYS 82 Ca -0.02 -0.27 -0.20 0.00 -1.01 0.00 0.00 55.97 54.47 1m58 s LYS 82 Cb -0.20 -3.51 0.04 0.00 -1.01 0.00 0.00 37.83 33.15 1m58 s LYS 82 CO -0.01 0.09 0.47 -1.12 0.51 0.00 0.00 175.35 175.29 1m58 s SER 83 N 0.97 -0.42 -0.27 2.83 0.01 -0.67 -4.96 113.70 111.20 1m58 s SER 83 Ca 0.07 0.52 -0.15 0.00 1.31 0.00 0.00 55.95 57.70 1m58 s SER 83 Cb -0.13 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.63 1m58 s SER 83 CO 0.04 -0.42 0.38 -0.44 0.41 0.00 0.00 173.24 173.21 1m58 s SER 84 N -0.86 6.26 0.23 2.44 0.01 -1.26 -0.56 113.70 119.96 1m58 s SER 84 Ca -0.09 0.27 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 1m58 s SER 84 Cb -0.03 -2.22 0.04 0.00 0.21 0.00 0.00 66.02 64.02 1m58 s SER 84 CO 0.05 -0.20 0.67 0.21 0.41 0.00 0.00 173.24 174.38 1m58 s ASN 85 N 1.64 -0.39 0.53 2.44 2.47 -0.94 -4.84 114.94 115.87 1m58 s ASN 85 Ca 0.15 -0.36 -0.04 0.00 0.42 0.00 0.00 52.86 53.03 1m58 s ASN 85 Cb -0.16 0.67 -0.01 0.00 -1.45 0.00 0.00 41.25 40.31 1m58 s ASN 85 CO 0.10 -1.19 0.82 0.42 -3.72 0.00 0.00 177.10 173.53 1m58 s THR 86 N -3.85 4.05 0.06 -5.21 -4.23 -1.26 -0.65 115.64 104.56 1m58 s THR 86 Ca 0.07 -0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 1m58 s THR 86 Cb -0.04 -3.56 -0.00 0.00 1.34 0.00 0.00 72.50 70.24 1m58 s THR 86 CO -0.01 -0.53 0.18 0.27 -0.54 0.00 0.00 174.62 173.99 1m58 s ILE 87 N -2.83 0.13 -0.34 2.99 -4.36 -1.26 -3.92 121.20 111.61 1m58 s ILE 87 Ca 0.51 -1.05 -0.08 0.00 -0.26 0.00 0.00 60.65 59.78 1m58 s ILE 87 Cb -0.10 -1.11 0.03 0.00 1.25 0.00 0.00 42.46 42.52 1m58 s ILE 87 CO 0.43 -0.58 0.12 0.00 0.24 0.00 0.00 174.94 175.16 1m58 s ILE 89 N 1.47 2.97 -0.45 0.00 -4.36 -0.71 -0.28 121.20 119.84 1m58 s ILE 89 Ca 0.01 -2.08 -0.26 0.00 -0.26 0.00 0.00 60.65 58.05 1m58 s ILE 89 Cb -0.19 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.00 1m58 s ILE 89 CO 0.04 -0.33 0.96 -0.89 0.24 0.00 0.00 174.94 174.95 1m58 s THR 90 N -2.27 4.45 0.14 8.37 2.01 -0.69 -0.89 115.64 126.75 1m58 s THR 90 Ca 0.29 0.88 -0.16 0.00 0.31 0.00 0.00 61.69 63.02 1m58 s THR 90 Cb -0.06 -4.45 -0.07 0.00 0.01 0.00 0.00 72.50 67.93 1m58 s THR 90 CO 0.17 -0.82 0.57 0.00 -0.69 0.00 0.00 174.62 173.84 1m58 s GLU 92 N -1.80 0.27 -1.02 0.00 2.12 -0.78 -1.68 118.70 115.80 1m58 s GLU 92 Ca 0.36 0.42 -0.06 0.00 0.36 0.00 0.00 54.97 56.06 1m58 s GLU 92 Cb -0.16 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.31 1m58 s GLU 92 CO 0.19 -0.05 0.89 0.09 -0.54 0.00 0.00 175.26 175.84 1m58 n ASN 93 N 3.10 -4.73 -1.20 -1.70 3.02 -0.00 -2.13 115.26 111.61 1m58 n ASN 93 Ca -0.16 -0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 53.80 1m58 n ASN 93 Cb 0.57 -4.01 -0.07 0.00 -0.61 0.00 0.00 39.78 35.66 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1m58 n LYS 94 N -3.87 -1.59 -3.71 3.52 4.01 -1.05 -4.94 118.16 110.52 1m58 n LYS 94 Ca -0.04 1.04 -0.12 0.00 -0.51 0.00 0.00 58.31 58.68 1m58 n LYS 94 Cb 0.56 -5.44 -0.11 0.00 -0.51 0.00 0.00 35.03 29.54 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1m58 s LEU 95 N -3.56 0.15 0.42 -0.35 0.05 -0.91 -4.55 118.68 109.94 1m58 s LEU 95 Ca 0.00 0.84 -0.19 0.00 0.05 0.00 0.00 54.13 54.83 1m58 s LEU 95 Cb 0.00 1.33 -0.10 0.00 -2.05 0.00 0.00 46.19 45.36 1m58 s LEU 95 CO 0.00 -0.17 0.90 -2.16 -0.55 0.00 0.00 176.35 174.37 1m58 s PRO 96 N 0.93 4.14 0.00 1.48 0.04 -1.26 -1.87 135.00 138.46 1m58 s PRO 96 Ca -0.06 0.99 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1m58 s PRO 96 Cb -0.06 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1m58 s PRO 96 CO -0.07 -0.02 0.29 1.33 0.04 0.00 0.00 177.00 178.56 1m58 n VAL 97 N -0.72 0.00 -3.88 -0.36 0.24 -0.83 -4.28 118.33 108.51 1m58 n VAL 97 Ca 0.06 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.27 1m58 n VAL 97 Cb 0.54 0.74 -0.08 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.14 -0.37 6.34 3.76 -1.26 -4.87 115.29 119.03 1m58 s HIS 98 Ca 0.00 -0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 54.35 1m58 s HIS 98 Cb 0.00 -0.08 0.03 0.00 1.11 0.00 0.00 32.58 33.64 1m58 s HIS 98 CO 0.00 -0.45 0.19 0.12 -0.85 0.00 0.00 174.74 173.75 1m58 s PHE 99 N -3.08 3.24 -0.17 1.40 5.36 -1.26 -1.70 117.98 121.78 1m58 s PHE 99 Ca -0.01 -1.00 -0.15 0.00 -0.96 0.00 0.00 56.93 54.81 1m58 s PHE 99 Cb 0.01 -2.42 -0.12 0.00 -0.34 0.00 0.00 43.02 40.16 1m58 s PHE 99 CO -0.07 -0.65 0.09 0.28 -1.46 0.00 0.00 175.22 173.41 1m58 h VAL 100 N 5.90 0.54 -0.89 3.12 2.07 -0.97 -3.48 116.25 122.54 1m58 h VAL 100 Ca -0.25 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1m58 h VAL 100 Cb 1.10 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1m58 h VAL 100 CO 0.66 0.18 0.00 0.00 0.02 0.00 0.00 177.57 178.43 1m58 n ALA 101 N -3.37 0.00 -2.42 1.67 0.00 -0.79 -5.00 120.51 110.61 1m58 n ALA 101 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1m58 n ALA 101 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1m58 n ALA 101 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1m58 n VAL 102 N 0.00 0.00 0.06 0.00 3.14 -1.26 -0.22 118.33 120.06 1m58 n VAL 102 Ca 0.00 0.00 0.20 0.00 -2.96 0.00 0.00 64.34 61.58 1m58 n VAL 102 Cb 0.00 0.00 0.61 0.00 -1.06 0.00 0.00 33.84 33.39 1m58 n VAL 102 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1m58 h GLU 103 N 0.00 0.00 -4.86 1.45 5.08 -1.93 -3.33 114.58 111.00 1m58 h GLU 103 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1m58 h GLU 103 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 1m58 h GLU 103 CO 0.00 0.00 -0.62 -1.21 -1.00 0.00 0.00 179.01 176.18 1m58 s GLU 104 N -4.43 3.32 -0.04 2.33 8.01 -1.26 -5.03 118.70 121.60 1m58 s GLU 104 Ca -0.03 -0.70 0.05 0.00 0.01 0.00 0.00 54.97 54.29 1m58 s GLU 104 Cb 0.13 -3.35 -0.00 0.00 -4.31 0.00 0.00 34.13 26.59 1m58 s GLU 104 CO 0.44 -0.34 -0.18 0.00 0.01 0.00 0.00 175.26 175.19