#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 3.23 0.34 2.12 -0.21 -1.26 -5.04 119.66 118.84 1m58 s GLN 2 Ca 0.00 1.97 0.03 0.00 0.02 0.00 0.00 55.36 57.38 1m58 s GLN 2 Cb 0.00 -2.18 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 1m58 s GLN 2 CO 0.00 -1.04 0.12 0.09 -2.12 0.00 0.00 175.29 172.34 1m58 n ASN 3 N -1.10 1.27 -0.10 5.90 3.02 -1.26 -5.00 115.26 117.99 1m58 n ASN 3 Ca 0.11 -2.79 0.12 0.00 -0.03 0.00 0.00 54.58 51.99 1m58 n ASN 3 Cb 0.47 0.83 0.50 0.00 -0.61 0.00 0.00 39.78 40.97 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 1.54 0.45 -0.19 3.10 -0.00 -1.88 -0.84 115.95 118.13 1m58 h TRP 4 Ca -0.27 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.62 1m58 h TRP 4 Cb 1.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 30.01 1m58 h TRP 4 CO 0.00 0.21 0.05 1.49 -0.00 0.00 0.00 178.44 180.19 1m58 h GLU 5 N 0.42 0.30 -0.25 2.65 4.81 -1.96 0.17 114.58 120.72 1m58 h GLU 5 Ca 0.29 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1m58 h GLU 5 Cb 0.57 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1m58 h GLU 5 CO -0.08 0.42 -0.33 1.15 -0.73 0.00 0.00 179.01 179.44 1m58 h THR 6 N 0.13 1.29 0.67 0.32 2.02 -1.78 -2.47 112.91 113.08 1m58 h THR 6 Ca 0.06 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1m58 h THR 6 Cb 0.25 1.46 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1m58 h THR 6 CO -0.00 0.46 -0.32 0.15 0.37 0.00 0.00 175.52 176.17 1m58 h PHE 7 N 0.45 -0.83 -0.68 3.16 3.04 -0.96 -2.86 116.94 118.25 1m58 h PHE 7 Ca 0.05 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.11 1m58 h PHE 7 Cb 0.80 0.28 -0.04 0.00 2.56 0.00 0.00 35.95 39.54 1m58 h PHE 7 CO 0.03 -0.48 0.46 -0.56 -2.02 0.00 0.00 178.31 175.73 1m58 h GLN 8 N -1.12 0.39 0.55 1.11 3.07 -0.98 0.37 115.11 118.50 1m58 h GLN 8 Ca -0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 1m58 h GLN 8 Cb 0.72 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 1m58 h GLN 8 CO 0.15 0.26 -0.37 0.87 0.09 0.00 0.00 178.83 179.83 1m58 h LYS 9 N 0.40 -0.86 0.00 0.06 1.57 -1.30 0.19 116.57 116.64 1m58 h LYS 9 Ca 0.33 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1m58 h LYS 9 Cb 0.72 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1m58 h LYS 9 CO -0.10 -0.57 -0.17 0.87 -0.57 0.00 0.00 179.45 178.91 1m58 h LYS 10 N -0.89 0.00 0.00 3.15 1.57 -1.23 -3.41 116.57 115.77 1m58 h LYS 10 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1m58 h LYS 10 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1m58 h LYS 10 CO 0.04 0.00 -0.35 0.72 -0.57 0.00 0.00 179.45 179.29 1m58 n HIS 11 N -2.92 0.00 -2.92 -1.35 8.25 0.12 -4.61 115.22 111.80 1m58 n HIS 11 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 1m58 n HIS 11 Cb 0.52 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -6.03 3.76 0.26 2.41 1.02 0.65 0.31 118.68 121.07 1m58 s LEU 12 Ca -0.10 0.72 -0.14 0.00 0.02 0.00 0.00 54.13 54.62 1m58 s LEU 12 Cb 0.01 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.60 1m58 s LEU 12 CO 0.15 -0.49 0.54 -0.89 0.02 0.00 0.00 176.35 175.68 1m58 s THR 13 N -2.59 0.00 -0.20 5.49 2.01 -0.70 -4.38 115.64 115.29 1m58 s THR 13 Ca 0.45 -1.31 0.15 0.00 0.31 0.00 0.00 61.69 61.28 1m58 s THR 13 Cb -0.10 -2.20 0.43 0.00 0.01 0.00 0.00 72.50 70.63 1m58 s THR 13 CO 0.41 0.00 1.31 0.47 -0.69 0.00 0.00 174.62 176.12 1m58 n ASP 14 N -0.48 2.65 -3.93 3.53 9.92 -1.26 -3.08 116.55 123.90 1m58 n ASP 14 Ca -0.02 -3.39 -0.26 0.00 -0.53 0.00 0.00 54.79 50.60 1m58 n ASP 14 Cb 0.61 -0.53 -0.17 0.00 -0.64 0.00 0.00 41.12 40.40 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1m58 s THR 15 N -3.02 0.98 -0.73 -3.53 -4.23 -1.26 -5.01 115.64 98.85 1m58 s THR 15 Ca 0.39 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1m58 s THR 15 Cb 0.34 -0.98 0.42 0.00 1.34 0.00 0.00 72.50 73.62 1m58 s THR 15 CO 0.02 0.35 1.16 0.54 -0.54 0.00 0.00 174.62 176.15 1m58 n ARG 16 N 4.61 2.93 -1.50 3.99 1.74 -1.26 -3.89 116.66 123.28 1m58 n ARG 16 Ca -0.16 -1.61 0.02 0.00 -0.77 0.00 0.00 57.85 55.33 1m58 n ARG 16 Cb 0.50 -1.85 0.08 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.35 1.59 -4.49 0.55 5.75 -1.26 -5.10 116.55 113.94 1m58 n ASP 17 Ca 0.14 -2.66 -0.37 0.00 -0.01 0.00 0.00 54.79 51.89 1m58 n ASP 17 Cb 0.71 -0.39 0.05 0.00 -1.03 0.00 0.00 41.12 40.46 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 -0.20 2.38 -4.01 2.12 0.31 -1.25 -4.97 118.33 112.71 1m58 n VAL 18 Ca 0.13 -0.47 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 1m58 n VAL 18 Cb 0.96 -0.78 -0.15 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.41 1.47 0.55 5.55 3.01 -1.26 -4.98 119.74 121.67 1m58 s LYS 19 Ca 0.69 -1.88 0.27 0.00 -1.01 0.00 0.00 55.97 54.05 1m58 s LYS 19 Cb -0.41 -3.18 1.46 0.00 -1.01 0.00 0.00 37.83 34.69 1m58 s LYS 19 CO 0.54 -0.95 1.97 0.00 0.51 0.00 0.00 175.35 177.43 1m58 h ASP 21 N 0.00 -0.25 0.64 0.00 5.19 -1.86 -2.18 116.42 117.95 1m58 h ASP 21 Ca 0.24 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.52 1m58 h ASP 21 Cb 1.08 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1m58 h ASP 21 CO -0.00 0.03 -0.68 0.00 -3.12 0.00 0.00 179.24 175.46 1m58 h ALA 22 N -1.45 0.85 0.15 3.45 0.00 -1.83 -2.43 119.26 118.00 1m58 h ALA 22 Ca -0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1m58 h ALA 22 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1m58 h ALA 22 CO 0.05 0.84 -0.07 1.49 0.00 0.00 0.00 179.25 181.56 1m58 h GLU 23 N 0.03 -0.20 0.00 0.00 4.22 -0.24 -3.16 114.58 115.22 1m58 h GLU 23 Ca -0.01 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 1m58 h GLU 23 Cb 1.21 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1m58 h GLU 23 CO 0.09 0.21 -0.13 1.98 -2.18 0.00 0.00 179.01 178.98 1m58 h MET 24 N -0.92 0.00 0.00 1.92 4.05 -1.49 -1.78 114.93 116.70 1m58 h MET 24 Ca -0.02 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1m58 h MET 24 Cb 0.50 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1m58 h MET 24 CO 0.03 0.13 -0.16 -0.22 0.23 0.00 0.00 176.91 176.92 1m58 h LYS 25 N 0.00 0.00 -6.97 0.39 3.11 -1.49 0.19 116.57 111.80 1m58 h LYS 25 Ca -0.00 0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 57.30 1m58 h LYS 25 Cb 0.25 0.00 0.20 0.00 -1.00 0.00 0.00 32.23 31.68 1m58 h LYS 25 CO 0.02 0.16 -0.15 1.63 -2.81 0.00 0.00 179.45 178.30 1m58 n LYS 26 N -3.43 -0.12 0.24 1.90 5.02 -0.67 -4.15 118.16 116.95 1m58 n LYS 26 Ca -0.01 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1m58 n LYS 26 Cb 0.34 -2.11 0.78 0.00 -0.02 0.00 0.00 35.03 34.02 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1m58 h ALA 27 N -1.29 1.83 -0.37 7.82 0.00 -1.88 0.71 119.26 126.08 1m58 h ALA 27 Ca -0.44 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1m58 h ALA 27 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1m58 h ALA 27 CO 0.40 -0.12 0.30 1.25 0.00 0.00 0.00 179.25 181.08 1m58 h LEU 28 N 0.00 0.00 0.00 0.00 5.85 -1.90 -3.25 115.31 116.01 1m58 h LEU 28 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1m58 h LEU 28 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1m58 h LEU 28 CO -0.00 0.00 -0.85 0.49 -0.34 0.00 0.00 178.44 177.74 1m58 n PHE 29 N -4.19 0.00 -2.95 1.25 3.72 -0.60 -5.06 117.46 109.63 1m58 n PHE 29 Ca 0.06 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.35 1m58 n PHE 29 Cb 0.48 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.08 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 -2.26 -2.03 -3.36 4.37 2.03 0.24 -3.48 116.55 112.06 1m58 n ASP 30 Ca 0.00 -0.41 -0.17 0.00 0.52 0.00 0.00 54.79 54.73 1m58 n ASP 30 Cb 0.42 -3.58 0.09 0.00 -0.72 0.00 0.00 41.12 37.33 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m58 s LYS 32 N -5.35 4.39 0.00 0.00 2.47 -1.23 -4.96 119.74 115.07 1m58 s LYS 32 Ca 0.02 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.58 1m58 s LYS 32 Cb -0.01 -3.10 0.00 0.00 -1.46 0.00 0.00 37.83 33.26 1m58 s LYS 32 CO 0.71 -0.16 0.80 1.04 0.16 0.00 0.00 175.35 177.90 1m58 n GLN 33 N 1.09 0.00 -4.25 4.03 3.00 -1.26 -4.80 117.38 115.18 1m58 n GLN 33 Ca 0.01 0.70 -0.14 0.00 -0.01 0.00 0.00 57.00 57.55 1m58 n GLN 33 Cb 0.42 -1.30 -0.10 0.00 0.00 0.00 0.00 30.24 29.26 1m58 n GLN 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1m58 s LYS 34 N -2.18 1.09 -0.26 -1.09 -2.85 -1.26 -2.58 119.74 110.60 1m58 s LYS 34 Ca 0.00 -1.49 -0.20 0.00 -1.00 0.00 0.00 55.97 53.28 1m58 s LYS 34 Cb 0.00 -0.52 0.07 0.00 -2.06 0.00 0.00 37.83 35.32 1m58 s LYS 34 CO 0.00 0.00 0.67 1.21 0.10 0.00 0.00 175.35 177.33 1m58 s ASN 35 N -3.18 -0.78 -0.49 0.03 3.84 -0.70 -4.97 114.94 108.69 1m58 s ASN 35 Ca 0.19 1.39 -0.16 0.00 0.21 0.00 0.00 52.86 54.49 1m58 s ASN 35 Cb 0.04 1.35 0.08 0.00 -0.55 0.00 0.00 41.25 42.17 1m58 s ASN 35 CO 0.02 -0.23 0.45 -0.89 -2.79 0.00 0.00 177.10 173.66 1m58 s THR 36 N 0.85 5.17 0.28 -5.21 2.01 -1.26 -0.12 115.64 117.37 1m58 s THR 36 Ca -0.04 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 60.96 1m58 s THR 36 Cb -0.05 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1m58 s THR 36 CO -0.07 -0.67 0.42 -0.36 -0.69 0.00 0.00 174.62 173.25 1m58 s PHE 37 N 1.80 3.33 0.10 4.92 0.08 -0.37 -4.64 117.98 123.20 1m58 s PHE 37 Ca 0.06 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1m58 s PHE 37 Cb -0.24 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 1m58 s PHE 37 CO 0.07 0.24 -0.01 0.42 -0.10 0.00 0.00 175.22 175.84 1m58 s ILE 38 N -2.08 0.37 -0.29 0.64 1.01 0.15 -1.19 121.20 119.81 1m58 s ILE 38 Ca 0.38 -1.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.09 1m58 s ILE 38 Cb -0.09 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.61 1m58 s ILE 38 CO 0.30 -0.76 0.04 -0.31 0.00 0.00 0.00 174.94 174.22 1m58 s TYR 39 N -3.84 3.14 -0.19 3.97 2.02 -1.05 -1.72 117.35 119.69 1m58 s TYR 39 Ca 0.15 -1.22 -0.35 0.00 -0.37 0.00 0.00 57.07 55.28 1m58 s TYR 39 Cb 0.07 -2.20 0.14 0.00 -0.40 0.00 0.00 41.96 39.57 1m58 s TYR 39 CO -0.04 -0.64 1.25 0.00 -1.57 0.00 0.00 175.55 174.56 1m58 s ALA 40 N 1.43 -2.12 0.33 3.71 0.00 -1.18 -4.54 121.76 119.40 1m58 s ALA 40 Ca 0.01 1.55 0.06 0.00 0.00 0.00 0.00 51.96 53.59 1m58 s ALA 40 Cb -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1m58 s ALA 40 CO 0.01 -0.64 0.47 1.03 0.00 0.00 0.00 175.76 176.62 1m58 s ARG 41 N -2.34 3.13 0.19 0.00 0.52 -1.26 -4.39 118.95 114.80 1m58 s ARG 41 Ca 0.10 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.37 1m58 s ARG 41 Cb -0.00 -2.82 0.07 0.00 0.52 0.00 0.00 34.95 32.72 1m58 s ARG 41 CO -0.04 0.07 1.44 -1.00 0.02 0.00 0.00 175.30 175.79 1m58 h PRO 42 N 0.90 0.11 0.02 3.54 0.13 -1.97 -1.78 132.00 132.94 1m58 h PRO 42 Ca -0.46 -0.11 -0.20 0.00 -0.87 0.00 0.00 66.00 64.35 1m58 h PRO 42 Cb 1.26 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1m58 h PRO 42 CO 0.53 0.86 -0.94 0.78 -0.23 0.00 0.00 178.00 179.00 1m58 h GLY 43 N 2.02 0.13 2.00 1.56 0.00 -1.99 0.50 103.07 107.29 1m58 h GLY 43 Ca -0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 1m58 h GLY 43 CO 0.12 0.23 -0.71 -0.09 0.00 0.00 0.00 176.54 176.08 1m58 h ARG 44 N 0.05 0.00 0.01 4.80 9.65 -1.96 -3.28 114.38 123.66 1m58 h ARG 44 Ca -0.04 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.55 1m58 h ARG 44 Cb 1.61 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.15 1m58 h ARG 44 CO 0.14 0.71 -1.65 0.28 2.80 0.00 0.00 179.97 182.25 1m58 h VAL 45 N 0.00 0.93 -0.85 0.20 2.07 -1.32 -3.35 116.25 113.94 1m58 h VAL 45 Ca -0.01 -2.75 0.10 0.00 0.82 0.00 0.00 66.70 64.85 1m58 h VAL 45 Cb 1.53 2.48 -0.06 0.00 -1.52 0.00 0.00 31.29 33.72 1m58 h VAL 45 CO 0.09 0.57 0.55 -0.61 0.02 0.00 0.00 177.57 178.20 1m58 h GLN 46 N 0.01 0.80 -0.40 1.57 4.15 -0.95 0.93 115.11 121.22 1m58 h GLN 46 Ca -0.27 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 1m58 h GLN 46 Cb 1.99 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 29.48 1m58 h GLN 46 CO 0.09 0.53 0.10 0.00 -1.93 0.00 0.00 178.83 177.62 1m58 h ALA 47 N 1.57 1.44 0.00 3.38 0.00 -1.68 0.16 119.26 124.12 1m58 h ALA 47 Ca 0.39 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1m58 h ALA 47 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1m58 h ALA 47 CO -0.16 0.41 -0.40 1.25 0.00 0.00 0.00 179.25 180.35 1m58 h LEU 48 N 0.58 0.00 -3.18 0.00 5.85 -1.00 -3.20 115.31 114.35 1m58 h LEU 48 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1m58 h LEU 48 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1m58 h LEU 48 CO -0.00 0.40 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 1m58 n LYS 50 N -0.55 2.69 0.00 0.00 3.00 0.46 -3.65 118.16 120.11 1m58 n LYS 50 Ca 0.19 -3.33 0.00 0.00 -0.00 0.00 0.00 58.31 55.18 1m58 n LYS 50 Cb 0.80 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.57 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 -0.94 4.14 -4.30 3.14 6.94 -1.26 -5.04 115.26 117.94 1m58 n ASN 51 Ca 0.60 0.00 -0.27 0.00 -0.02 0.00 0.00 54.58 54.89 1m58 n ASN 51 Cb 0.84 0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 38.76 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 -1.74 1.87 -0.13 1.53 -1.09 -1.26 -5.03 121.20 115.35 1m58 s ILE 52 Ca 0.00 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1m58 s ILE 52 Cb 0.00 -1.63 -0.09 0.00 -1.58 0.00 0.00 42.46 39.16 1m58 s ILE 52 CO 0.00 0.20 -0.12 -0.38 -1.23 0.00 0.00 174.94 173.41 1m58 n ILE 53 N 1.61 0.77 -2.31 2.92 5.41 -1.26 -2.24 119.36 124.27 1m58 n ILE 53 Ca -0.17 -0.29 -0.28 0.00 1.00 0.00 0.00 62.75 63.01 1m58 n ILE 53 Cb 0.53 -1.04 0.02 0.00 -0.71 0.00 0.00 39.64 38.44 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 -2.27 4.30 -0.09 1.39 1.01 -1.26 0.65 120.40 124.13 1m58 s VAL 54 Ca -0.18 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 1m58 s VAL 54 Cb 0.05 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1m58 s VAL 54 CO 0.30 -0.77 2.05 -0.55 0.00 0.00 0.00 175.10 176.14 1m58 s SER 55 N -4.21 6.01 0.13 3.32 0.15 -1.26 -4.44 113.70 113.39 1m58 s SER 55 Ca 0.52 2.26 -0.14 0.00 0.70 0.00 0.00 55.95 59.29 1m58 s SER 55 Cb -0.11 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.70 1m58 s SER 55 CO 0.48 -1.46 0.35 -0.75 1.20 0.00 0.00 173.24 173.05 1m58 s LYS 56 N 5.30 1.05 -0.21 5.44 2.20 -0.91 -4.99 119.74 127.62 1m58 s LYS 56 Ca 0.92 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 55.62 1m58 s LYS 56 Cb -0.37 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1m58 s LYS 56 CO 0.38 -0.40 0.13 0.54 -0.36 0.00 0.00 175.35 175.64 1m58 s ASN 57 N -2.84 6.10 0.26 1.43 2.20 -1.26 -0.22 114.94 120.63 1m58 s ASN 57 Ca 0.05 0.17 0.12 0.00 -0.94 0.00 0.00 52.86 52.26 1m58 s ASN 57 Cb 0.02 -2.08 -0.05 0.00 -2.00 0.00 0.00 41.25 37.15 1m58 s ASN 57 CO -0.10 0.14 -0.20 0.54 -2.94 0.00 0.00 177.10 174.53 1m58 s VAL 58 N 0.61 2.43 -0.11 3.54 0.11 0.02 -4.95 120.40 122.05 1m58 s VAL 58 Ca 0.07 -2.34 0.04 0.00 -2.93 0.00 0.00 61.98 56.81 1m58 s VAL 58 Cb -0.12 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 1m58 s VAL 58 CO 0.00 -0.36 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.42 1m58 s LEU 59 N -3.37 2.08 0.21 2.54 1.43 -1.26 -2.15 118.68 118.16 1m58 s LEU 59 Ca 0.28 -0.57 -0.32 0.00 -1.03 0.00 0.00 54.13 52.49 1m58 s LEU 59 Cb -0.05 -1.41 -0.13 0.00 0.03 0.00 0.00 46.19 44.63 1m58 s LEU 59 CO 0.14 0.13 1.64 -1.54 0.23 0.00 0.00 176.35 176.95 1m58 n SER 60 N 3.69 3.60 0.07 2.29 3.41 -0.57 -4.89 113.62 121.24 1m58 n SER 60 Ca -0.19 1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 59.45 1m58 n SER 60 Cb 0.53 -1.52 -0.09 0.00 -0.26 0.00 0.00 64.21 62.87 1m58 n SER 60 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1m58 h THR 61 N 3.62 1.46 -3.40 6.66 2.02 -1.99 -3.43 112.91 117.86 1m58 h THR 61 Ca -0.44 -3.09 -0.66 0.00 0.77 0.00 0.00 66.41 62.98 1m58 h THR 61 Cb 1.23 2.72 -0.14 0.00 -1.74 0.00 0.00 68.15 70.21 1m58 h THR 61 CO 0.90 0.83 -0.66 -1.81 0.37 0.00 0.00 175.52 175.15 1m58 s ASP 62 N -6.60 5.02 0.63 4.18 1.11 -1.26 -5.09 116.67 114.66 1m58 s ASP 62 Ca 0.01 -0.06 -0.18 0.00 0.18 0.00 0.00 52.55 52.50 1m58 s ASP 62 Cb 0.09 -1.27 -0.02 0.00 1.07 0.00 0.00 42.92 42.80 1m58 s ASP 62 CO 0.80 0.26 1.20 -1.61 1.18 0.00 0.00 175.17 177.01 1m58 s GLU 63 N -1.69 2.76 -0.03 8.23 2.02 -1.26 -4.75 118.70 123.98 1m58 s GLU 63 Ca 0.20 1.79 0.03 0.00 0.02 0.00 0.00 54.97 57.02 1m58 s GLU 63 Cb -0.11 -1.91 -0.00 0.00 0.10 0.00 0.00 34.13 32.21 1m58 s GLU 63 CO 0.11 -1.36 -0.12 -0.06 0.02 0.00 0.00 175.26 173.85 1m58 s PHE 64 N -1.73 1.18 0.20 1.61 0.08 -0.98 -4.88 117.98 113.46 1m58 s PHE 64 Ca 0.76 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 57.21 1m58 s PHE 64 Cb -0.30 -0.81 -0.10 0.00 -0.57 0.00 0.00 43.02 41.24 1m58 s PHE 64 CO 0.37 -0.10 1.47 0.71 -0.10 0.00 0.00 175.22 177.57 1m58 s TYR 65 N 0.06 3.07 -0.14 0.36 2.02 -1.26 -2.20 117.35 119.26 1m58 s TYR 65 Ca -0.02 0.89 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 1m58 s TYR 65 Cb -0.09 -3.83 0.01 0.00 -0.40 0.00 0.00 41.96 37.65 1m58 s TYR 65 CO 0.01 -2.86 -0.22 -0.51 -1.57 0.00 0.00 175.55 170.40 1m58 s LEU 66 N 0.35 2.11 -0.32 -1.29 1.43 0.40 -2.53 118.68 118.83 1m58 s LEU 66 Ca 0.64 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 1m58 s LEU 66 Cb -0.42 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.44 1m58 s LEU 66 CO 0.37 0.08 0.01 -0.55 0.23 0.00 0.00 176.35 176.50 1m58 s SER 67 N 0.79 4.73 0.17 2.29 0.15 -0.33 -2.08 113.70 119.42 1m58 s SER 67 Ca -0.08 -1.84 0.10 0.00 0.70 0.00 0.00 55.95 54.84 1m58 s SER 67 Cb -0.16 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1m58 s SER 67 CO -0.01 -0.33 -0.18 1.51 1.20 0.00 0.00 173.24 175.43 1m58 s ASP 68 N 1.09 3.80 0.00 5.45 -4.77 -0.98 -1.23 116.67 120.03 1m58 s ASP 68 Ca 0.03 -0.69 -0.00 0.00 -3.30 0.00 0.00 52.55 48.59 1m58 s ASP 68 Cb -0.20 -0.47 -0.04 0.00 -1.09 0.00 0.00 42.92 41.12 1m58 s ASP 68 CO -0.06 0.13 0.08 0.00 0.70 0.00 0.00 175.17 176.02 1m58 s ASN 70 N -1.78 0.34 -0.15 0.00 0.01 -0.91 -1.72 114.94 110.73 1m58 s ASN 70 Ca 0.23 -0.04 -0.29 0.00 -0.71 0.00 0.00 52.86 52.06 1m58 s ASN 70 Cb -0.12 -0.10 -0.06 0.00 0.41 0.00 0.00 41.25 41.38 1m58 s ASN 70 CO 0.14 -0.02 2.11 -0.60 -1.51 0.00 0.00 177.10 177.22 1m58 s ARG 71 N 0.33 3.45 0.00 -0.60 6.06 -1.07 -2.86 118.95 124.26 1m58 s ARG 71 Ca -0.03 2.15 0.00 0.00 -2.50 0.00 0.00 55.73 55.35 1m58 s ARG 71 Cb -0.06 -4.29 0.00 0.00 0.06 0.00 0.00 34.95 30.66 1m58 s ARG 71 CO -0.01 -1.75 0.00 1.51 -2.50 0.00 0.00 175.30 172.56 1m58 n ILE 72 N 7.07 0.00 -3.18 4.11 0.13 -1.26 -5.00 119.36 121.24 1m58 n ILE 72 Ca 0.26 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 61.95 1m58 n ILE 72 Cb 0.44 -0.66 -0.01 0.00 -0.84 0.00 0.00 39.64 38.56 1m58 n ILE 72 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 1m58 s LYS 73 N -1.95 0.47 1.03 9.51 -2.85 -1.22 -5.11 119.74 119.62 1m58 s LYS 73 Ca 0.00 0.85 -0.20 0.00 -1.00 0.00 0.00 55.97 55.61 1m58 s LYS 73 Cb 0.00 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 1m58 s LYS 73 CO 0.00 -0.48 -0.60 1.28 0.10 0.00 0.00 175.35 175.65 1m58 n LEU 74 N 5.43 -2.89 -0.02 2.77 4.32 -1.26 -3.66 117.00 121.69 1m58 n LEU 74 Ca -0.03 0.04 -0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1m58 n LEU 74 Cb 0.52 -0.81 -0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1m58 n LEU 74 CO -0.01 -3.53 -0.01 1.55 -1.22 0.00 0.00 177.39 174.17 1m58 h PRO 75 N -1.44 0.00 -0.33 3.23 0.13 -2.02 -3.41 132.00 128.16 1m58 h PRO 75 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1m58 h PRO 75 Cb 1.35 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 1m58 h PRO 75 CO 0.29 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 177.88 1m58 s HIS 77 N -3.29 3.61 0.43 0.00 3.76 -1.24 -4.29 115.29 114.27 1m58 s HIS 77 Ca 0.44 -1.79 0.07 0.00 -0.15 0.00 0.00 55.06 53.63 1m58 s HIS 77 Cb 0.40 -3.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.21 1m58 s HIS 77 CO -0.01 -1.03 0.25 0.71 -0.85 0.00 0.00 174.74 173.80 1m58 s TYR 78 N 0.65 2.54 0.10 1.40 2.02 -1.26 -3.41 117.35 119.39 1m58 s TYR 78 Ca 0.16 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1m58 s TYR 78 Cb -0.14 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1m58 s TYR 78 CO -0.06 0.05 0.01 0.15 -1.57 0.00 0.00 175.55 174.13 1m58 s LYS 79 N -4.00 2.58 -0.12 -0.62 1.02 -1.14 -4.77 119.74 112.70 1m58 s LYS 79 Ca 0.42 -0.85 -0.04 0.00 0.02 0.00 0.00 55.97 55.52 1m58 s LYS 79 Cb 0.01 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1m58 s LYS 79 CO 0.24 0.53 0.02 -1.17 -0.92 0.00 0.00 175.35 174.05 1m58 s LEU 80 N -2.42 3.65 -0.08 3.17 2.96 -1.26 -2.13 118.68 122.56 1m58 s LEU 80 Ca 0.26 0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1m58 s LEU 80 Cb -0.11 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1m58 s LEU 80 CO 0.19 0.30 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.74 1m58 s LYS 81 N -0.40 2.85 -0.20 1.98 -0.14 -0.51 -4.95 119.74 118.38 1m58 s LYS 81 Ca 0.08 -0.88 -0.02 0.00 -1.36 0.00 0.00 55.97 53.79 1m58 s LYS 81 Cb -0.12 -2.23 -0.00 0.00 -1.68 0.00 0.00 37.83 33.80 1m58 s LYS 81 CO 0.02 0.24 -0.10 0.15 -0.76 0.00 0.00 175.35 174.90 1m58 s LYS 82 N 0.18 3.26 -0.21 1.68 -0.14 -1.25 -2.32 119.74 120.95 1m58 s LYS 82 Ca -0.14 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 53.61 1m58 s LYS 82 Cb -0.17 -2.83 0.06 0.00 -1.68 0.00 0.00 37.83 33.21 1m58 s LYS 82 CO 0.07 -0.15 0.54 -1.12 -0.76 0.00 0.00 175.35 173.94 1m58 s SER 83 N 1.28 -0.60 -0.38 2.83 0.01 -0.88 -4.95 113.70 111.00 1m58 s SER 83 Ca 0.03 1.12 -0.17 0.00 1.31 0.00 0.00 55.95 58.24 1m58 s SER 83 Cb -0.14 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.19 1m58 s SER 83 CO -0.05 -0.20 0.46 -0.44 0.41 0.00 0.00 173.24 173.42 1m58 s SER 84 N 0.59 6.24 0.09 2.44 0.01 -1.26 -0.46 113.70 121.35 1m58 s SER 84 Ca -0.02 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.84 1m58 s SER 84 Cb -0.05 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.95 1m58 s SER 84 CO -0.03 -0.50 0.20 0.21 0.41 0.00 0.00 173.24 173.53 1m58 s ASN 85 N 1.79 0.11 0.36 2.44 2.47 -0.93 -4.78 114.94 116.39 1m58 s ASN 85 Ca 0.15 -0.62 -0.25 0.00 0.42 0.00 0.00 52.86 52.56 1m58 s ASN 85 Cb -0.16 0.34 -0.10 0.00 -1.45 0.00 0.00 41.25 39.88 1m58 s ASN 85 CO 0.13 -0.72 0.98 0.42 -3.72 0.00 0.00 177.10 174.19 1m58 s THR 86 N -3.76 4.07 0.25 -5.21 -4.23 -1.26 -2.33 115.64 103.17 1m58 s THR 86 Ca 0.04 1.63 0.09 0.00 -1.18 0.00 0.00 61.69 62.27 1m58 s THR 86 Cb 0.04 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1m58 s THR 86 CO -0.11 0.05 0.03 -0.63 -0.54 0.00 0.00 174.62 173.43 1m58 s ILE 87 N -1.69 3.66 -0.24 2.99 1.01 -1.26 -2.98 121.20 122.68 1m58 s ILE 87 Ca 0.54 -1.78 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1m58 s ILE 87 Cb -0.19 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.40 1m58 s ILE 87 CO 0.24 -0.35 -0.04 0.00 0.00 0.00 0.00 174.94 174.79 1m58 s ILE 89 N 1.40 1.32 -0.36 0.00 -5.25 -0.92 -1.53 121.20 115.86 1m58 s ILE 89 Ca -0.04 -2.00 -0.08 0.00 -0.99 0.00 0.00 60.65 57.54 1m58 s ILE 89 Cb -0.19 -2.54 0.04 0.00 2.95 0.00 0.00 42.46 42.73 1m58 s ILE 89 CO -0.07 0.00 0.14 -0.89 -1.79 0.00 0.00 174.94 172.33 1m58 s THR 90 N -2.95 3.98 0.42 8.37 2.01 -0.78 -0.80 115.64 125.89 1m58 s THR 90 Ca 0.22 -1.12 -0.22 0.00 0.31 0.00 0.00 61.69 60.88 1m58 s THR 90 Cb 0.05 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 69.18 1m58 s THR 90 CO 0.11 -0.23 0.96 0.00 -0.69 0.00 0.00 174.62 174.77 1m58 s GLU 92 N -2.97 0.54 -0.98 0.00 -6.30 0.37 -2.13 118.70 107.24 1m58 s GLU 92 Ca 0.60 1.23 -0.01 0.00 -2.50 0.00 0.00 54.97 54.30 1m58 s GLU 92 Cb -0.12 0.66 0.00 0.00 0.00 0.00 0.00 34.13 34.67 1m58 s GLU 92 CO 0.16 -0.36 0.82 -1.71 0.02 0.00 0.00 175.26 174.19 1m58 n ASN 93 N 5.43 -2.32 -0.54 -1.70 2.85 0.21 -2.46 115.26 116.73 1m58 n ASN 93 Ca -0.08 -0.50 -0.07 0.00 -0.11 0.00 0.00 54.58 53.83 1m58 n ASN 93 Cb 0.50 -4.25 -0.03 0.00 1.24 0.00 0.00 39.78 37.24 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 -3.59 -1.60 -3.80 1.20 5.02 -0.95 -4.95 118.16 109.49 1m58 n LYS 94 Ca -0.22 0.72 -0.13 0.00 -2.02 0.00 0.00 58.31 56.66 1m58 n LYS 94 Cb 0.63 -5.03 -0.12 0.00 -0.02 0.00 0.00 35.03 30.49 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 -1.61 1.17 0.38 -0.35 0.05 -1.03 -4.35 118.68 112.94 1m58 s LEU 95 Ca 0.00 0.41 -0.23 0.00 0.05 0.00 0.00 54.13 54.35 1m58 s LEU 95 Cb 0.00 0.68 -0.10 0.00 -2.05 0.00 0.00 46.19 44.71 1m58 s LEU 95 CO 0.00 -0.08 0.96 -2.16 -0.55 0.00 0.00 176.35 174.52 1m58 s PRO 96 N 0.21 4.37 0.00 1.48 0.04 -1.26 -0.47 135.00 139.36 1m58 s PRO 96 Ca -0.01 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1m58 s PRO 96 Cb -0.02 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1m58 s PRO 96 CO -0.00 0.08 0.00 1.33 0.04 0.00 0.00 177.00 178.45 1m58 n VAL 97 N -0.07 0.00 -4.46 -0.36 0.24 -1.07 -3.69 118.33 108.91 1m58 n VAL 97 Ca 0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.12 1m58 n VAL 97 Cb 0.52 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.15 2.11 -0.27 6.34 3.76 -1.24 -4.75 115.29 121.10 1m58 s HIS 98 Ca 0.00 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.36 1m58 s HIS 98 Cb 0.00 -1.14 0.05 0.00 1.11 0.00 0.00 32.58 32.61 1m58 s HIS 98 CO 0.00 0.45 -0.07 0.12 -0.85 0.00 0.00 174.74 174.39 1m58 s PHE 99 N -2.81 3.23 -0.04 1.40 2.19 -1.26 -1.88 117.98 118.82 1m58 s PHE 99 Ca 0.30 -2.10 -0.01 0.00 0.33 0.00 0.00 56.93 55.45 1m58 s PHE 99 Cb 0.01 -2.00 -0.00 0.00 -1.31 0.00 0.00 43.02 39.72 1m58 s PHE 99 CO 0.13 -0.84 0.06 0.28 1.83 0.00 0.00 175.22 176.68 1m58 h VAL 100 N 6.59 0.00 -1.05 3.12 2.07 -1.57 -3.48 116.25 121.94 1m58 h VAL 100 Ca -0.22 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1m58 h VAL 100 Cb 1.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1m58 h VAL 100 CO 0.50 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.09 1m58 n ALA 101 N -2.34 0.00 -2.27 1.67 0.00 -0.73 -4.94 120.51 111.91 1m58 n ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m58 n ALA 101 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.20 0.00 0.24 -1.26 -0.55 118.33 116.56 1m58 n VAL 102 Ca 0.00 0.00 0.30 0.00 -2.04 0.00 0.00 64.34 62.60 1m58 n VAL 102 Cb 0.00 0.00 0.69 0.00 -1.47 0.00 0.00 33.84 33.06 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 -4.53 7.34 4.81 -1.87 -3.32 114.58 117.02 1m58 h GLU 103 Ca 0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 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 -0.52 -1.21 -0.73 0.00 0.00 179.01 176.55 1m58 s GLU 104 N -4.73 2.51 -0.47 1.92 8.01 -1.26 -5.05 118.70 119.63 1m58 s GLU 104 Ca -0.04 -1.43 -0.14 0.00 0.01 0.00 0.00 54.97 53.36 1m58 s GLU 104 Cb 0.19 -3.65 0.09 0.00 -4.31 0.00 0.00 34.13 26.45 1m58 s GLU 104 CO 0.66 -0.88 0.38 0.00 0.01 0.00 0.00 175.26 175.43