#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 n GLN 2 N 0.00 0.00 -4.46 2.12 1.13 -1.26 -5.07 117.38 109.83 1m58 n GLN 2 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1m58 n GLN 2 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 1m58 n GLN 2 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1m58 s ASN 3 N -3.58 2.50 0.62 1.08 0.01 -1.26 -5.01 114.94 109.30 1m58 s ASN 3 Ca 0.00 -1.66 0.31 0.00 -0.71 0.00 0.00 52.86 50.80 1m58 s ASN 3 Cb 0.00 0.48 1.71 0.00 0.41 0.00 0.00 41.25 43.84 1m58 s ASN 3 CO 0.00 -0.93 2.05 -0.25 -1.51 0.00 0.00 177.10 176.46 1m58 h TRP 4 N 1.89 0.00 0.30 2.20 -0.00 -1.90 -2.05 115.95 116.39 1m58 h TRP 4 Ca -0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.53 1m58 h TRP 4 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.43 1m58 h TRP 4 CO 1.44 0.00 -0.14 1.49 -0.00 0.00 0.00 178.44 181.23 1m58 h GLU 5 N 0.00 -0.38 -0.89 2.65 4.22 -1.95 -2.00 114.58 116.23 1m58 h GLU 5 Ca 0.08 0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.66 1m58 h GLU 5 Cb 0.60 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1m58 h GLU 5 CO -0.00 -0.26 0.57 1.15 -2.18 0.00 0.00 179.01 178.30 1m58 h THR 6 N -0.66 0.92 -0.66 0.32 2.02 -1.91 -0.87 112.91 112.08 1m58 h THR 6 Ca -0.04 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1m58 h THR 6 Cb 0.30 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1m58 h THR 6 CO 0.07 0.15 0.36 0.15 0.37 0.00 0.00 175.52 176.62 1m58 h PHE 7 N 0.82 0.92 -0.16 3.16 3.04 -1.44 -2.08 116.94 121.20 1m58 h PHE 7 Ca 0.43 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.31 1m58 h PHE 7 Cb 0.51 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1m58 h PHE 7 CO -0.00 0.66 -0.07 1.96 -2.02 0.00 0.00 178.31 178.84 1m58 h GLN 8 N 0.91 0.24 0.55 1.11 4.20 -0.38 0.54 115.11 122.28 1m58 h GLN 8 Ca 0.23 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1m58 h GLN 8 Cb 0.05 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.80 1m58 h GLN 8 CO -0.04 0.33 -0.26 0.87 -0.67 0.00 0.00 178.83 179.06 1m58 h LYS 9 N 0.24 -0.71 0.01 1.46 1.57 -0.89 -0.97 116.57 117.27 1m58 h LYS 9 Ca 0.05 0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.65 1m58 h LYS 9 Cb 0.28 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1m58 h LYS 9 CO 0.01 -0.40 -1.13 0.87 -0.57 0.00 0.00 179.45 178.23 1m58 h LYS 10 N -1.01 0.01 0.00 3.15 1.57 -1.48 -3.40 116.57 115.41 1m58 h LYS 10 Ca -0.08 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1m58 h LYS 10 Cb 0.64 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1m58 h LYS 10 CO 0.12 0.93 -1.07 0.72 -0.57 0.00 0.00 179.45 179.58 1m58 n HIS 11 N -3.31 0.96 -3.27 -1.35 8.25 0.18 -4.73 115.22 111.95 1m58 n HIS 11 Ca -0.03 0.41 -0.34 0.00 -0.26 0.00 0.00 57.72 57.50 1m58 n HIS 11 Cb 0.96 -0.99 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -7.97 4.22 0.37 2.41 1.02 -0.37 -0.16 118.68 118.21 1m58 s LEU 12 Ca -0.25 1.15 0.07 0.00 0.02 0.00 0.00 54.13 55.12 1m58 s LEU 12 Cb 0.05 -3.64 -0.07 0.00 0.02 0.00 0.00 46.19 42.55 1m58 s LEU 12 CO 0.47 -0.03 -0.03 -0.89 0.02 0.00 0.00 176.35 175.89 1m58 s THR 13 N -1.70 1.95 -0.20 5.49 2.01 0.19 -4.36 115.64 119.02 1m58 s THR 13 Ca 0.45 -2.08 0.15 0.00 0.31 0.00 0.00 61.69 60.53 1m58 s THR 13 Cb -0.13 -2.80 0.47 0.00 0.01 0.00 0.00 72.50 70.05 1m58 s THR 13 CO 0.20 -0.10 1.37 -0.67 -0.69 0.00 0.00 174.62 174.73 1m58 n ASP 14 N -0.84 3.18 -3.86 3.53 2.03 -1.26 -4.21 116.55 115.12 1m58 n ASP 14 Ca -0.05 -3.24 -0.11 0.00 0.52 0.00 0.00 54.79 51.91 1m58 n ASP 14 Cb 0.65 -0.54 -0.10 0.00 -0.72 0.00 0.00 41.12 40.41 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1m58 s THR 15 N -2.95 0.07 -0.10 5.18 -4.23 -1.26 -5.06 115.64 107.28 1m58 s THR 15 Ca 0.41 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1m58 s THR 15 Cb 0.35 -0.42 -0.25 0.00 1.34 0.00 0.00 72.50 73.51 1m58 s THR 15 CO 0.05 -0.33 0.42 -1.14 -0.54 0.00 0.00 174.62 173.09 1m58 n ARG 16 N 1.63 0.72 -1.52 3.99 0.63 -1.26 -4.20 116.66 116.65 1m58 n ARG 16 Ca -0.21 0.26 -0.32 0.00 -0.92 0.00 0.00 57.85 56.66 1m58 n ARG 16 Cb 0.56 -1.72 0.02 0.00 0.45 0.00 0.00 32.46 31.76 1m58 n ARG 16 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1m58 n ASP 17 N -3.35 7.10 -4.68 6.15 9.92 -1.26 -4.96 116.55 125.47 1m58 n ASP 17 Ca -0.28 -3.52 -0.37 0.00 -0.53 0.00 0.00 54.79 50.08 1m58 n ASP 17 Cb 1.05 -1.10 0.07 0.00 -0.64 0.00 0.00 41.12 40.50 1m58 n ASP 17 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1m58 n VAL 18 N -0.06 4.37 -4.52 2.53 0.31 -1.26 -5.00 118.33 114.69 1m58 n VAL 18 Ca 0.51 -0.49 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 1m58 n VAL 18 Cb 0.47 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.95 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 -3.16 3.08 0.04 5.55 1.02 -1.26 -5.03 119.74 119.98 1m58 s LYS 19 Ca 0.80 -0.52 -0.16 0.00 0.02 0.00 0.00 55.97 56.11 1m58 s LYS 19 Cb -0.39 -2.72 -0.29 0.00 -0.52 0.00 0.00 37.83 33.90 1m58 s LYS 19 CO 0.43 0.54 1.08 0.00 -0.92 0.00 0.00 175.35 176.47 1m58 h ASP 21 N 0.19 0.53 1.27 0.00 2.03 -1.90 -1.56 116.42 116.98 1m58 h ASP 21 Ca -0.18 -0.94 -0.03 0.00 -0.73 0.00 0.00 57.03 55.15 1m58 h ASP 21 Cb 1.87 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 40.20 1m58 h ASP 21 CO 0.23 1.47 -0.12 0.00 -1.03 0.00 0.00 179.24 179.79 1m58 h ALA 22 N 0.08 0.97 0.00 4.15 0.00 -1.89 -2.73 119.26 119.85 1m58 h ALA 22 Ca -0.18 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 1m58 h ALA 22 Cb 1.75 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1m58 h ALA 22 CO 0.17 0.15 -1.73 0.39 0.00 0.00 0.00 179.25 178.23 1m58 n GLU 23 N -3.20 0.52 -0.01 0.00 -0.58 -1.05 -4.45 120.64 111.87 1m58 n GLU 23 Ca 0.01 0.22 0.08 0.00 -0.42 0.00 0.00 57.16 57.05 1m58 n GLU 23 Cb 0.44 -1.39 0.48 0.00 -0.57 0.00 0.00 31.44 30.40 1m58 n GLU 23 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1m58 h MET 24 N -0.93 0.43 -0.07 3.49 4.05 -1.42 -0.27 114.93 120.21 1m58 h MET 24 Ca -0.35 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.07 1m58 h MET 24 Cb 1.27 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1m58 h MET 24 CO -0.21 0.28 0.07 -0.22 0.23 0.00 0.00 176.91 177.06 1m58 h LYS 25 N 0.44 0.00 -7.07 0.39 3.11 -1.61 0.93 116.57 112.76 1m58 h LYS 25 Ca 0.19 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.50 1m58 h LYS 25 Cb 0.21 0.00 0.20 0.00 -1.00 0.00 0.00 32.23 31.64 1m58 h LYS 25 CO -0.05 0.00 -0.00 1.17 -2.81 0.00 0.00 179.45 177.76 1m58 n LYS 26 N -3.89 -0.15 0.27 1.90 3.00 -0.11 -3.96 118.16 115.22 1m58 n LYS 26 Ca -0.01 0.02 0.18 0.00 -0.00 0.00 0.00 58.31 58.50 1m58 n LYS 26 Cb 0.17 -2.22 0.88 0.00 0.00 0.00 0.00 35.03 33.86 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 -1.36 1.49 -0.96 3.14 0.00 -1.87 0.17 119.26 119.87 1m58 h ALA 27 Ca -0.44 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 54.65 1m58 h ALA 27 Cb 1.29 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 1m58 h ALA 27 CO 0.41 -0.32 0.54 1.25 0.00 0.00 0.00 179.25 181.13 1m58 h LEU 28 N 0.00 0.66 -0.93 0.00 5.85 -1.87 -3.22 115.31 115.80 1m58 h LEU 28 Ca 0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1m58 h LEU 28 Cb 0.59 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1m58 h LEU 28 CO -0.00 0.22 0.00 0.49 -0.34 0.00 0.00 178.44 178.80 1m58 n PHE 29 N -4.83 0.00 -4.47 1.25 3.72 -0.77 -5.02 117.46 107.33 1m58 n PHE 29 Ca 0.22 -0.06 -0.40 0.00 -0.05 0.00 0.00 57.45 57.16 1m58 n PHE 29 Cb 0.56 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 39.02 1m58 n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1m58 n ASP 30 N -0.06 -1.52 -3.45 4.37 5.75 0.52 -0.39 116.55 121.77 1m58 n ASP 30 Ca 0.00 -1.22 -0.18 0.00 -0.01 0.00 0.00 54.79 53.38 1m58 n ASP 30 Cb 0.34 -1.75 0.07 0.00 -1.03 0.00 0.00 41.12 38.75 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1m58 n LYS 32 N -3.92 -2.62 -0.03 0.00 4.76 0.48 -4.93 118.16 111.89 1m58 n LYS 32 Ca -0.22 -0.31 -0.17 0.00 -2.87 0.00 0.00 58.31 54.74 1m58 n LYS 32 Cb 0.65 -0.41 -0.13 0.00 -1.84 0.00 0.00 35.03 33.30 1m58 n LYS 32 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1m58 h GLN 33 N 0.00 0.11 -3.66 1.97 3.07 -1.94 -3.47 115.11 111.19 1m58 h GLN 33 Ca -0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 58.65 58.40 1m58 h GLN 33 Cb 0.28 0.07 -0.12 0.00 0.08 0.00 0.00 27.48 27.79 1m58 h GLN 33 CO 0.05 1.09 -0.21 -1.59 0.09 0.00 0.00 178.83 178.26 1m58 s LYS 34 N -2.31 1.14 -0.07 0.06 -2.85 -1.26 0.40 119.74 114.85 1m58 s LYS 34 Ca -0.18 -0.99 -0.31 0.00 -1.00 0.00 0.00 55.97 53.49 1m58 s LYS 34 Cb -0.01 0.42 0.08 0.00 -2.06 0.00 0.00 37.83 36.26 1m58 s LYS 34 CO 0.73 -0.43 0.75 1.21 0.10 0.00 0.00 175.35 177.71 1m58 s ASN 35 N -2.90 -0.60 -0.39 0.03 3.84 -0.47 -4.98 114.94 109.48 1m58 s ASN 35 Ca 0.11 0.65 -0.07 0.00 0.21 0.00 0.00 52.86 53.77 1m58 s ASN 35 Cb 0.02 0.49 0.07 0.00 -0.55 0.00 0.00 41.25 41.29 1m58 s ASN 35 CO -0.04 -0.55 0.19 -0.89 -2.79 0.00 0.00 177.10 173.01 1m58 s THR 36 N -1.17 3.83 -0.21 -5.21 2.01 -1.26 -0.33 115.64 113.29 1m58 s THR 36 Ca -0.09 -1.47 -0.10 0.00 0.31 0.00 0.00 61.69 60.34 1m58 s THR 36 Cb -0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 1m58 s THR 36 CO 0.08 -0.43 0.13 -0.36 -0.69 0.00 0.00 174.62 173.35 1m58 s PHE 37 N 1.35 3.36 0.33 4.92 0.08 0.41 -4.55 117.98 123.87 1m58 s PHE 37 Ca 0.02 0.26 0.07 0.00 0.12 0.00 0.00 56.93 57.40 1m58 s PHE 37 Cb -0.22 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1m58 s PHE 37 CO 0.01 0.19 0.41 0.42 -0.10 0.00 0.00 175.22 176.15 1m58 s ILE 38 N 0.62 3.97 -0.16 0.64 -1.09 0.78 -0.42 121.20 125.54 1m58 s ILE 38 Ca 0.07 -1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 57.38 1m58 s ILE 38 Cb -0.12 -3.36 0.05 0.00 -1.58 0.00 0.00 42.46 37.44 1m58 s ILE 38 CO 0.01 -0.17 -0.03 -0.47 -1.23 0.00 0.00 174.94 173.05 1m58 s TYR 39 N -2.20 1.46 -0.06 3.97 5.04 -0.77 -0.64 117.35 124.15 1m58 s TYR 39 Ca 0.43 -0.96 -0.30 0.00 -2.44 0.00 0.00 57.07 53.80 1m58 s TYR 39 Cb -0.08 -1.20 0.11 0.00 0.35 0.00 0.00 41.96 41.13 1m58 s TYR 39 CO 0.30 -0.59 1.35 0.00 -1.34 0.00 0.00 175.55 175.27 1m58 s ALA 40 N 1.71 -2.59 0.23 3.97 0.00 -1.26 -4.09 121.76 119.74 1m58 s ALA 40 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1m58 s ALA 40 Cb -0.16 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1m58 s ALA 40 CO -0.07 -1.14 0.39 1.03 0.00 0.00 0.00 175.76 175.97 1m58 s ARG 41 N -2.05 3.46 0.14 0.00 0.52 -1.26 -4.86 118.95 114.90 1m58 s ARG 41 Ca 0.26 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 1m58 s ARG 41 Cb 0.02 -2.85 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 1m58 s ARG 41 CO -0.03 0.39 1.32 -1.00 0.02 0.00 0.00 175.30 176.00 1m58 h PRO 42 N 1.44 0.11 0.01 3.54 0.13 -1.98 -2.57 132.00 132.68 1m58 h PRO 42 Ca -0.50 -0.15 -0.20 0.00 -0.87 0.00 0.00 66.00 64.28 1m58 h PRO 42 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1m58 h PRO 42 CO 0.64 0.99 -0.91 0.78 -0.23 0.00 0.00 178.00 179.26 1m58 h GLY 43 N 2.26 0.16 1.95 1.56 0.00 -1.98 -0.32 103.07 106.70 1m58 h GLY 43 Ca -0.04 -0.31 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 1m58 h GLY 43 CO 0.14 0.27 -1.02 3.21 0.00 0.00 0.00 176.54 179.15 1m58 h ARG 44 N 0.07 0.04 0.09 4.80 3.08 -1.98 -3.07 114.38 117.41 1m58 h ARG 44 Ca -0.04 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 59.66 1m58 h ARG 44 Cb 1.57 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 1m58 h ARG 44 CO 0.13 1.01 -1.45 0.28 -1.07 0.00 0.00 179.97 178.88 1m58 h VAL 45 N 0.01 1.23 -0.78 2.04 2.07 -1.48 -3.26 116.25 116.09 1m58 h VAL 45 Ca -0.03 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.60 1m58 h VAL 45 Cb 1.77 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 34.26 1m58 h VAL 45 CO 0.14 0.81 0.50 1.56 0.02 0.00 0.00 177.57 180.60 1m58 h GLN 46 N 0.05 1.03 -0.03 1.57 4.20 -1.12 -1.17 115.11 119.65 1m58 h GLN 46 Ca -0.20 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 1m58 h GLN 46 Cb 1.98 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 1m58 h GLN 46 CO 0.15 0.70 -0.17 0.00 -0.67 0.00 0.00 178.83 178.84 1m58 h ALA 47 N 1.27 1.66 -0.09 3.87 0.00 -1.63 0.84 119.26 125.18 1m58 h ALA 47 Ca 0.28 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1m58 h ALA 47 Cb -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1m58 h ALA 47 CO -0.06 0.25 -0.34 1.25 0.00 0.00 0.00 179.25 180.35 1m58 h LEU 48 N 0.05 0.18 -3.27 0.00 5.85 -1.26 -2.88 115.31 113.97 1m58 h LEU 48 Ca 0.01 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1m58 h LEU 48 Cb 0.33 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1m58 h LEU 48 CO 0.02 0.52 0.00 0.00 -0.34 0.00 0.00 178.44 178.64 1m58 n LYS 50 N -0.54 2.46 -0.04 0.00 3.00 0.20 -3.64 118.16 119.60 1m58 n LYS 50 Ca 0.22 -2.95 0.00 0.00 -0.00 0.00 0.00 58.31 55.58 1m58 n LYS 50 Cb 0.91 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.78 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 -0.77 0.20 -3.76 3.14 0.23 -1.26 -5.02 115.26 108.02 1m58 n ASN 51 Ca 0.57 -1.18 -0.15 0.00 -0.53 0.00 0.00 54.58 53.29 1m58 n ASN 51 Cb 0.84 -0.02 -0.16 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.12 -0.06 -0.20 1.53 1.01 -1.26 -5.03 121.20 117.08 1m58 s ILE 52 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1m58 s ILE 52 Cb 0.00 -0.14 -0.12 0.00 0.01 0.00 0.00 42.46 42.21 1m58 s ILE 52 CO 0.00 0.09 -0.18 -0.38 0.00 0.00 0.00 174.94 174.47 1m58 n ILE 53 N 4.26 1.11 -2.74 2.92 -0.00 -1.26 -1.92 119.36 121.74 1m58 n ILE 53 Ca -0.26 -0.42 -0.33 0.00 -0.00 0.00 0.00 62.75 61.74 1m58 n ILE 53 Cb 0.50 -1.22 -0.06 0.00 -0.00 0.00 0.00 39.64 38.86 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 -2.39 4.44 -0.19 1.39 1.01 -1.26 -1.78 120.40 121.62 1m58 s VAL 54 Ca -0.26 1.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 1m58 s VAL 54 Cb 0.07 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1m58 s VAL 54 CO 0.44 -0.40 2.11 -1.20 0.00 0.00 0.00 175.10 176.06 1m58 n SER 55 N -0.84 3.13 -3.77 3.32 7.64 -1.26 -4.60 113.62 117.24 1m58 n SER 55 Ca 0.07 0.51 -0.14 0.00 1.01 0.00 0.00 58.87 60.32 1m58 n SER 55 Cb 0.54 -1.44 -0.07 0.00 -1.01 0.00 0.00 64.21 62.23 1m58 n SER 55 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1m58 s LYS 56 N 5.60 1.54 -0.14 1.43 2.47 -0.89 -4.99 119.74 124.77 1m58 s LYS 56 Ca 1.00 -1.67 -0.05 0.00 -1.56 0.00 0.00 55.97 53.69 1m58 s LYS 56 Cb -0.56 0.36 -0.03 0.00 -1.46 0.00 0.00 37.83 36.14 1m58 s LYS 56 CO 0.43 -0.58 0.01 -0.80 0.16 0.00 0.00 175.35 174.57 1m58 s ASN 57 N -3.20 5.26 0.19 1.43 0.01 -1.26 -0.32 114.94 117.05 1m58 s ASN 57 Ca 0.34 0.04 0.09 0.00 -0.71 0.00 0.00 52.86 52.63 1m58 s ASN 57 Cb 0.03 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.88 1m58 s ASN 57 CO 0.17 0.24 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.19 1m58 s VAL 58 N -0.02 3.05 -0.13 1.60 1.01 0.00 -4.90 120.40 121.00 1m58 s VAL 58 Ca 0.04 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.23 1m58 s VAL 58 Cb -0.13 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1m58 s VAL 58 CO 0.02 -0.14 0.02 -0.22 0.00 0.00 0.00 175.10 174.78 1m58 s LEU 59 N -2.88 0.83 0.06 3.92 0.20 -1.26 -2.23 118.68 117.32 1m58 s LEU 59 Ca 0.25 -0.45 -0.31 0.00 0.69 0.00 0.00 54.13 54.31 1m58 s LEU 59 Cb -0.08 -0.49 -0.07 0.00 -0.43 0.00 0.00 46.19 45.11 1m58 s LEU 59 CO 0.15 -0.26 1.46 -0.94 -0.29 0.00 0.00 176.35 176.47 1m58 s SER 60 N 1.93 6.77 0.16 3.68 1.04 -0.96 -4.91 113.70 121.42 1m58 s SER 60 Ca 0.02 2.29 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 1m58 s SER 60 Cb -0.15 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1m58 s SER 60 CO -0.07 -0.74 1.38 0.71 0.98 0.00 0.00 173.24 175.50 1m58 h THR 61 N 4.63 1.39 -3.33 2.02 1.35 -2.00 -3.41 112.91 113.57 1m58 h THR 61 Ca -0.41 -2.29 -0.56 0.00 -0.55 0.00 0.00 66.41 62.61 1m58 h THR 61 Cb 1.19 2.25 -0.04 0.00 -1.73 0.00 0.00 68.15 69.83 1m58 h THR 61 CO 0.90 0.69 -0.00 -1.81 -0.25 0.00 0.00 175.52 175.04 1m58 s ASP 62 N -7.01 7.04 0.63 5.36 1.11 -1.26 -4.96 116.67 117.59 1m58 s ASP 62 Ca -0.06 1.28 -0.14 0.00 0.18 0.00 0.00 52.55 53.82 1m58 s ASP 62 Cb 0.10 -2.37 -0.02 0.00 1.07 0.00 0.00 42.92 41.70 1m58 s ASP 62 CO 0.85 0.19 1.06 -1.61 1.18 0.00 0.00 175.17 176.84 1m58 s GLU 63 N -1.44 3.17 0.04 8.23 2.02 -1.26 -4.57 118.70 124.89 1m58 s GLU 63 Ca 0.34 1.10 0.03 0.00 0.02 0.00 0.00 54.97 56.46 1m58 s GLU 63 Cb -0.18 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1m58 s GLU 63 CO 0.20 -0.92 -0.10 -0.06 0.02 0.00 0.00 175.26 174.39 1m58 s PHE 64 N -2.69 0.90 0.16 1.61 0.40 -0.37 -4.79 117.98 113.20 1m58 s PHE 64 Ca 0.61 -0.39 -0.32 0.00 -0.60 0.00 0.00 56.93 56.24 1m58 s PHE 64 Cb -0.15 -0.53 -0.11 0.00 0.51 0.00 0.00 43.02 42.74 1m58 s PHE 64 CO 0.44 -0.01 1.67 0.71 0.70 0.00 0.00 175.22 178.72 1m58 s TYR 65 N -1.02 2.82 -0.27 0.36 1.51 -1.26 -1.84 117.35 117.64 1m58 s TYR 65 Ca -0.03 0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1m58 s TYR 65 Cb -0.08 -4.04 0.07 0.00 -0.11 0.00 0.00 41.96 37.80 1m58 s TYR 65 CO 0.01 -3.97 -0.02 -0.51 -1.11 0.00 0.00 175.55 169.95 1m58 s LEU 66 N 1.53 3.17 -0.37 -1.29 1.43 0.00 -1.84 118.68 121.32 1m58 s LEU 66 Ca 0.74 -1.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 1m58 s LEU 66 Cb -0.46 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1m58 s LEU 66 CO 0.32 -0.29 0.27 -0.55 0.23 0.00 0.00 176.35 176.33 1m58 s SER 67 N 1.27 6.08 0.01 2.29 0.15 0.44 -2.20 113.70 121.74 1m58 s SER 67 Ca -0.00 -0.59 0.05 0.00 0.70 0.00 0.00 55.95 56.11 1m58 s SER 67 Cb -0.19 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 1m58 s SER 67 CO -0.09 -0.32 -0.15 1.51 1.20 0.00 0.00 173.24 175.39 1m58 s ASP 68 N 1.71 4.02 -0.07 5.45 1.47 -0.92 -0.45 116.67 127.88 1m58 s ASP 68 Ca 0.06 -0.30 0.01 0.00 1.18 0.00 0.00 52.55 53.49 1m58 s ASP 68 Cb -0.18 -0.77 -0.03 0.00 -0.34 0.00 0.00 42.92 41.60 1m58 s ASP 68 CO 0.10 0.29 -0.06 0.00 0.68 0.00 0.00 175.17 176.18 1m58 s ASN 70 N -0.77 0.63 -0.53 0.00 0.01 -1.05 -1.37 114.94 111.87 1m58 s ASN 70 Ca 0.12 -0.20 -0.27 0.00 -0.71 0.00 0.00 52.86 51.80 1m58 s ASN 70 Cb -0.11 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.48 1m58 s ASN 70 CO 0.02 -0.00 2.00 -0.60 -1.51 0.00 0.00 177.10 177.00 1m58 s ARG 71 N -0.46 2.61 -0.13 -0.60 3.00 0.16 -2.64 118.95 120.89 1m58 s ARG 71 Ca -0.01 0.97 0.14 0.00 -1.00 0.00 0.00 55.73 55.82 1m58 s ARG 71 Cb -0.04 -4.41 -0.19 0.00 0.00 0.00 0.00 34.95 30.31 1m58 s ARG 71 CO -0.00 -2.73 0.09 0.44 0.00 0.00 0.00 175.30 173.10 1m58 n ILE 72 N 7.45 0.90 -3.15 4.11 -5.35 -1.26 -4.98 119.36 117.08 1m58 n ILE 72 Ca 0.25 -0.60 0.06 0.00 -0.27 0.00 0.00 62.75 62.18 1m58 n ILE 72 Cb 0.52 -0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 37.90 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 -2.47 0.14 1.04 6.28 -2.85 -1.22 -5.07 119.74 115.59 1m58 s LYS 73 Ca -0.07 0.22 -0.17 0.00 -1.00 0.00 0.00 55.97 54.94 1m58 s LYS 73 Cb 0.05 0.12 0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1m58 s LYS 73 CO 0.62 -0.18 -0.07 1.47 0.10 0.00 0.00 175.35 177.29 1m58 n LEU 74 N 5.37 -1.96 0.00 2.77 -0.00 -1.26 -3.81 117.00 118.11 1m58 n LEU 74 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1m58 n LEU 74 Cb 0.55 -0.99 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1m58 n LEU 74 CO -0.13 -3.50 0.00 -0.81 -0.00 0.00 0.00 177.39 172.95 1m58 n PRO 75 N -1.10 0.00 -0.98 1.47 -0.04 -1.26 -4.61 135.00 128.48 1m58 n PRO 75 Ca 0.02 0.15 -0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1m58 n PRO 75 Cb 0.60 -0.59 0.28 0.00 -0.04 0.00 0.00 33.50 33.74 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 -2.83 3.33 0.48 0.00 3.76 -1.25 -4.36 115.29 114.43 1m58 s HIS 77 Ca 0.52 -1.53 0.04 0.00 -0.15 0.00 0.00 55.06 53.94 1m58 s HIS 77 Cb 0.41 -3.70 -0.02 0.00 1.11 0.00 0.00 32.58 30.39 1m58 s HIS 77 CO 0.13 -1.01 0.12 0.71 -0.85 0.00 0.00 174.74 173.84 1m58 s TYR 78 N 1.45 2.06 0.16 1.40 2.02 -1.26 -3.46 117.35 119.72 1m58 s TYR 78 Ca 0.05 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 55.98 1m58 s TYR 78 Cb -0.28 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 1m58 s TYR 78 CO 0.01 0.11 0.12 0.21 -1.57 0.00 0.00 175.55 174.43 1m58 s LYS 79 N -3.94 2.84 -0.06 -0.62 2.20 -1.08 -4.89 119.74 114.19 1m58 s LYS 79 Ca 0.23 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1m58 s LYS 79 Cb 0.03 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1m58 s LYS 79 CO 0.13 0.48 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.34 1m58 s LEU 80 N -3.07 1.52 -0.11 5.43 2.96 -1.26 -2.53 118.68 121.62 1m58 s LEU 80 Ca 0.30 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1m58 s LEU 80 Cb -0.10 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.94 1m58 s LEU 80 CO 0.23 -0.00 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.45 1m58 s LYS 81 N 0.78 1.31 -0.11 1.98 2.20 -0.95 -4.98 119.74 119.96 1m58 s LYS 81 Ca -0.13 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1m58 s LYS 81 Cb -0.15 -1.50 -0.03 0.00 -1.51 0.00 0.00 37.83 34.64 1m58 s LYS 81 CO 0.02 -0.30 -0.00 -1.59 -0.36 0.00 0.00 175.35 173.12 1m58 s LYS 82 N 1.76 3.26 -0.18 4.03 -2.85 -1.26 -2.17 119.74 122.33 1m58 s LYS 82 Ca 0.05 -0.43 -0.21 0.00 -1.00 0.00 0.00 55.97 54.37 1m58 s LYS 82 Cb -0.13 -2.86 0.06 0.00 -2.06 0.00 0.00 37.83 32.84 1m58 s LYS 82 CO -0.08 0.54 0.57 -1.12 0.10 0.00 0.00 175.35 175.36 1m58 s SER 83 N -0.43 -0.58 -0.41 0.03 0.01 -0.93 -4.94 113.70 106.45 1m58 s SER 83 Ca 0.08 1.02 -0.22 0.00 1.31 0.00 0.00 55.95 58.14 1m58 s SER 83 Cb -0.12 1.03 0.02 0.00 0.21 0.00 0.00 66.02 67.16 1m58 s SER 83 CO 0.02 -0.27 0.71 -0.44 0.41 0.00 0.00 173.24 173.67 1m58 s SER 84 N -0.01 6.41 0.06 2.44 0.01 -1.26 -0.82 113.70 120.53 1m58 s SER 84 Ca -0.02 -0.05 -0.08 0.00 1.31 0.00 0.00 55.95 57.10 1m58 s SER 84 Cb -0.04 -2.36 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 1m58 s SER 84 CO 0.02 -0.78 0.17 0.21 0.41 0.00 0.00 173.24 173.27 1m58 s ASN 85 N 1.98 0.12 0.48 2.44 2.47 -0.77 -4.72 114.94 116.95 1m58 s ASN 85 Ca 0.27 -0.57 -0.19 0.00 0.42 0.00 0.00 52.86 52.79 1m58 s ASN 85 Cb -0.13 0.30 -0.09 0.00 -1.45 0.00 0.00 41.25 39.88 1m58 s ASN 85 CO 0.19 -0.64 0.99 0.42 -3.72 0.00 0.00 177.10 174.34 1m58 s THR 86 N -3.31 4.27 0.25 -5.21 -4.23 -1.26 -1.24 115.64 104.91 1m58 s THR 86 Ca 0.01 1.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.89 1m58 s THR 86 Cb 0.03 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 1m58 s THR 86 CO -0.08 -0.44 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.74 1m58 s ILE 87 N -2.32 2.27 -0.11 2.99 -1.09 -1.26 -2.93 121.20 118.75 1m58 s ILE 87 Ca 0.62 -2.33 0.02 0.00 -2.23 0.00 0.00 60.65 56.72 1m58 s ILE 87 Cb -0.11 -2.22 0.01 0.00 -1.58 0.00 0.00 42.46 38.56 1m58 s ILE 87 CO 0.23 -0.44 -0.16 0.00 -1.23 0.00 0.00 174.94 173.34 1m58 s ILE 89 N 0.97 0.38 -0.38 0.00 -0.00 -0.95 -1.88 121.20 119.34 1m58 s ILE 89 Ca -0.07 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 58.47 1m58 s ILE 89 Cb -0.15 -2.46 0.03 0.00 -0.00 0.00 0.00 42.46 39.88 1m58 s ILE 89 CO -0.02 0.00 0.22 -0.89 -0.00 0.00 0.00 174.94 174.25 1m58 s THR 90 N -3.43 4.66 0.40 8.37 2.01 0.07 -0.82 115.64 126.90 1m58 s THR 90 Ca 0.32 -0.83 -0.23 0.00 0.31 0.00 0.00 61.69 61.26 1m58 s THR 90 Cb 0.04 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.85 1m58 s THR 90 CO 0.18 -0.24 0.98 0.00 -0.69 0.00 0.00 174.62 174.85 1m58 s GLU 92 N -2.69 0.48 -1.12 0.00 2.12 0.72 -2.09 118.70 116.11 1m58 s GLU 92 Ca 0.58 1.14 -0.04 0.00 0.36 0.00 0.00 54.97 57.01 1m58 s GLU 92 Cb -0.16 0.62 -0.04 0.00 0.26 0.00 0.00 34.13 34.82 1m58 s GLU 92 CO 0.20 -0.15 0.94 0.09 -0.54 0.00 0.00 175.26 175.79 1m58 n ASN 93 N 5.09 -4.52 -0.49 -1.70 3.02 -0.73 -2.17 115.26 113.75 1m58 n ASN 93 Ca -0.12 -0.69 -0.06 0.00 -0.03 0.00 0.00 54.58 53.67 1m58 n ASN 93 Cb 0.52 -5.06 -0.03 0.00 -0.61 0.00 0.00 39.78 34.60 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 -3.67 -1.83 -3.71 3.52 5.02 -0.81 -4.93 118.16 111.74 1m58 n LYS 94 Ca -0.17 0.72 -0.14 0.00 -2.02 0.00 0.00 58.31 56.71 1m58 n LYS 94 Cb 0.64 -5.19 -0.09 0.00 -0.02 0.00 0.00 35.03 30.37 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 -1.45 0.32 0.38 -0.35 0.05 -0.92 -4.31 118.68 112.39 1m58 s LEU 95 Ca 0.00 0.73 -0.21 0.00 0.05 0.00 0.00 54.13 54.71 1m58 s LEU 95 Cb 0.00 1.56 -0.10 0.00 -2.05 0.00 0.00 46.19 45.60 1m58 s LEU 95 CO 0.00 -0.25 0.89 -2.16 -0.55 0.00 0.00 176.35 174.29 1m58 s PRO 96 N -0.17 4.25 0.00 1.48 0.04 -1.26 -0.20 135.00 139.14 1m58 s PRO 96 Ca -0.03 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1m58 s PRO 96 Cb -0.03 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1m58 s PRO 96 CO 0.02 0.09 0.42 1.33 0.04 0.00 0.00 177.00 178.90 1m58 n VAL 97 N -0.28 0.00 -3.59 -0.36 0.24 -0.98 -3.87 118.33 109.47 1m58 n VAL 97 Ca 0.05 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.20 1m58 n VAL 97 Cb 0.53 0.69 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 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 -0.43 -0.24 6.34 3.76 -1.25 -4.87 115.29 118.61 1m58 s HIS 98 Ca 0.00 0.55 -0.07 0.00 -0.15 0.00 0.00 55.06 55.39 1m58 s HIS 98 Cb 0.00 0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.97 1m58 s HIS 98 CO 0.00 -0.60 0.07 -0.59 -0.85 0.00 0.00 174.74 172.77 1m58 s PHE 99 N -2.06 3.11 -0.21 1.40 -0.71 -1.26 -0.75 117.98 117.50 1m58 s PHE 99 Ca -0.07 -0.31 -0.18 0.00 -1.04 0.00 0.00 56.93 55.32 1m58 s PHE 99 Cb -0.01 -2.21 -0.15 0.00 -1.21 0.00 0.00 43.02 39.44 1m58 s PHE 99 CO 0.01 -0.26 0.04 0.28 -1.34 0.00 0.00 175.22 173.95 1m58 n VAL 100 N 4.67 1.51 -2.66 -2.49 0.31 -0.79 -4.91 118.33 113.97 1m58 n VAL 100 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1m58 n VAL 100 Cb 0.52 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1m58 n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1m58 n ALA 101 N -3.61 0.00 -2.36 3.52 0.00 -1.03 -4.95 120.51 112.07 1m58 n ALA 101 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1m58 n ALA 101 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.13 0.00 0.24 -1.26 -0.89 118.33 116.29 1m58 n VAL 102 Ca 0.00 0.00 0.27 0.00 -2.04 0.00 0.00 64.34 62.57 1m58 n VAL 102 Cb 0.00 0.00 0.72 0.00 -1.47 0.00 0.00 33.84 33.09 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 -5.03 7.34 4.81 -1.86 -3.27 114.58 116.57 1m58 h GLU 103 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 1m58 h GLU 103 Cb 0.00 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.09 1m58 h GLU 103 CO 0.00 0.00 -0.75 -1.21 -0.73 0.00 0.00 179.01 176.32 1m58 s GLU 104 N -4.85 3.31 0.06 1.92 2.02 -1.26 -5.01 118.70 114.90 1m58 s GLU 104 Ca -0.05 -0.66 0.06 0.00 0.02 0.00 0.00 54.97 54.34 1m58 s GLU 104 Cb 0.20 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1m58 s GLU 104 CO 0.70 -0.17 -0.12 0.00 0.02 0.00 0.00 175.26 175.69