#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se9 s ALA 2 N 0.00 2.52 0.07 0.62 0.00 -1.26 -4.48 121.76 119.24 1se9 s ALA 2 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1se9 s ALA 2 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1se9 s ALA 2 CO 0.00 -3.42 0.00 -1.91 0.00 0.00 0.00 175.76 170.43 1se9 n GLU 3 N 9.04 -3.65 -4.98 0.00 2.13 -1.26 -5.04 120.64 116.89 1se9 n GLU 3 Ca 0.15 2.78 -0.32 0.00 0.66 0.00 0.00 57.16 60.42 1se9 n GLU 3 Cb 0.50 -3.14 -0.14 0.00 0.27 0.00 0.00 31.44 28.93 1se9 n GLU 3 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1se9 s VAL 4 N -0.38 2.75 -0.32 6.31 1.01 -1.26 -5.09 120.40 123.42 1se9 s VAL 4 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1se9 s VAL 4 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1se9 s VAL 4 CO 0.00 0.57 0.20 -1.00 0.00 0.00 0.00 175.10 174.87 1se9 s HIS 5 N -0.31 3.21 -0.17 5.22 3.76 -1.26 -5.06 115.29 120.68 1se9 s HIS 5 Ca 0.02 -0.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.48 1se9 s HIS 5 Cb -0.13 -2.42 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 1se9 s HIS 5 CO 0.03 -0.34 0.70 -0.80 -0.85 0.00 0.00 174.74 173.48 1se9 s ASN 6 N 1.70 6.82 0.00 1.40 -0.87 -1.26 -5.05 114.94 117.68 1se9 s ASN 6 Ca 0.06 0.99 0.00 0.00 -1.57 0.00 0.00 52.86 52.34 1se9 s ASN 6 Cb -0.17 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 1se9 s ASN 6 CO 0.09 -0.28 0.00 0.00 -2.57 0.00 0.00 177.10 174.34 1se9 n GLN 7 N 4.89 2.37 -3.20 -0.60 3.00 -1.26 -4.86 117.38 117.71 1se9 n GLN 7 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.59 1se9 n GLN 7 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.66 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1se9 s LEU 8 N 0.00 4.20 -0.15 1.08 1.02 -0.36 -4.77 118.68 119.71 1se9 s LEU 8 Ca 0.00 0.25 -0.19 0.00 0.02 0.00 0.00 54.13 54.21 1se9 s LEU 8 Cb 0.00 -2.68 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 1se9 s LEU 8 CO 0.00 -0.44 0.52 -1.61 0.02 0.00 0.00 176.35 174.84 1se9 s GLU 9 N 2.45 4.28 -0.02 1.70 2.02 -1.22 0.48 118.70 128.39 1se9 s GLU 9 Ca 0.21 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.74 1se9 s GLU 9 Cb -0.15 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 1se9 s GLU 9 CO 0.12 0.01 -0.19 0.42 0.02 0.00 0.00 175.26 175.64 1se9 s ILE 10 N 1.10 1.50 0.16 -1.63 1.01 0.23 0.36 121.20 123.92 1se9 s ILE 10 Ca 0.26 -0.80 0.10 0.00 0.00 0.00 0.00 60.65 60.22 1se9 s ILE 10 Cb -0.15 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1se9 s ILE 10 CO 0.11 0.42 -0.21 -1.59 0.00 0.00 0.00 174.94 173.67 1se9 s LYS 11 N -0.35 1.62 -0.26 2.79 -2.85 0.31 -0.96 119.74 120.05 1se9 s LYS 11 Ca 0.05 -1.39 -0.06 0.00 -1.00 0.00 0.00 55.97 53.58 1se9 s LYS 11 Cb -0.08 -1.95 -0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1se9 s LYS 11 CO -0.00 0.43 0.03 -0.06 0.10 0.00 0.00 175.35 175.85 1se9 s PHE 12 N -1.45 3.07 -0.21 1.78 0.08 -1.02 -0.60 117.98 119.63 1se9 s PHE 12 Ca 0.19 -0.88 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 1se9 s PHE 12 Cb -0.09 -2.19 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 1se9 s PHE 12 CO 0.10 -0.53 -0.11 0.50 -0.10 0.00 0.00 175.22 175.08 1se9 s ARG 13 N 1.51 3.05 0.61 0.44 3.52 0.68 0.55 118.95 129.31 1se9 s ARG 13 Ca 0.04 -0.82 -0.17 0.00 -0.13 0.00 0.00 55.73 54.65 1se9 s ARG 13 Cb -0.16 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1se9 s ARG 13 CO 0.00 -0.27 1.14 -0.51 -0.81 0.00 0.00 175.30 174.86 1se9 s LEU 14 N 1.35 3.57 0.23 -0.88 1.02 0.11 -0.30 118.68 123.79 1se9 s LEU 14 Ca 0.04 2.16 0.20 0.00 0.02 0.00 0.00 54.13 56.55 1se9 s LEU 14 Cb -0.15 -4.57 0.92 0.00 0.02 0.00 0.00 46.19 42.41 1se9 s LEU 14 CO -0.07 -1.52 1.60 1.07 0.02 0.00 0.00 176.35 177.44 1se9 n THR 15 N -1.88 1.04 1.60 5.49 5.66 -0.65 -1.23 114.28 124.32 1se9 n THR 15 Ca 0.12 0.45 0.15 0.00 -3.05 0.00 0.00 64.05 61.71 1se9 n THR 15 Cb 0.51 -1.40 0.80 0.00 -1.55 0.00 0.00 70.33 68.70 1se9 n THR 15 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1se9 n ASP 16 N -2.10 0.00 0.00 1.09 2.03 -1.26 -4.89 116.55 111.42 1se9 n ASP 16 Ca 0.01 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1se9 n ASP 16 Cb 0.13 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1se9 n GLY 17 N 1.07 0.77 3.66 0.27 0.00 -0.36 -5.06 105.19 105.53 1se9 n GLY 17 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1se9 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1se9 s SER 18 N -2.43 5.05 0.09 1.61 1.04 -1.25 -4.94 113.70 112.87 1se9 s SER 18 Ca 0.00 0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.51 1se9 s SER 18 Cb 0.00 -1.33 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 1se9 s SER 18 CO 0.00 0.31 -0.15 1.51 0.98 0.00 0.00 173.24 175.89 1se9 s ASP 19 N -1.29 1.91 -0.08 7.02 -4.77 -1.26 0.08 116.67 118.29 1se9 s ASP 19 Ca 0.17 -0.69 -0.02 0.00 -3.30 0.00 0.00 52.55 48.71 1se9 s ASP 19 Cb -0.11 -0.07 -0.03 0.00 -1.09 0.00 0.00 42.92 41.61 1se9 s ASP 19 CO 0.07 -0.08 0.02 -0.63 0.70 0.00 0.00 175.17 175.25 1se9 s ILE 20 N -1.52 4.43 0.79 2.11 1.01 0.19 -4.97 121.20 123.23 1se9 s ILE 20 Ca 0.03 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.30 1se9 s ILE 20 Cb -0.08 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.55 1se9 s ILE 20 CO 0.03 0.58 1.00 0.61 0.00 0.00 0.00 174.94 177.16 1se9 n GLY 21 N 2.04 -0.46 3.77 6.18 0.00 -1.26 -2.43 105.19 113.02 1se9 n GLY 21 Ca -0.18 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1se9 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1se9 s PRO 22 N -3.70 3.67 0.04 1.61 0.04 -1.26 -4.52 135.00 130.88 1se9 s PRO 22 Ca 0.71 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.72 1se9 s PRO 22 Cb -0.31 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 1se9 s PRO 22 CO 0.53 -0.67 -0.07 0.21 0.04 0.00 0.00 177.00 177.03 1se9 s LYS 23 N -2.64 0.51 -0.22 4.56 2.36 -0.14 -4.91 119.74 119.27 1se9 s LYS 23 Ca 0.64 -0.72 -0.20 0.00 -2.55 0.00 0.00 55.97 53.14 1se9 s LYS 23 Cb -0.33 -0.28 -0.02 0.00 -1.05 0.00 0.00 37.83 36.14 1se9 s LYS 23 CO 0.40 0.05 0.62 0.00 1.55 0.00 0.00 175.35 177.97 1se9 s ALA 24 N -1.30 3.57 -0.24 3.13 0.00 -1.26 -0.60 121.76 125.05 1se9 s ALA 24 Ca -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1se9 s ALA 24 Cb -0.09 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1se9 s ALA 24 CO 0.00 -0.64 -0.05 -0.06 0.00 0.00 0.00 175.76 175.02 1se9 s PHE 25 N 2.10 3.01 0.63 0.00 0.40 0.18 -4.87 117.98 119.43 1se9 s PHE 25 Ca 0.27 -1.26 -0.18 0.00 -0.60 0.00 0.00 56.93 55.16 1se9 s PHE 25 Cb -0.16 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 1se9 s PHE 25 CO 0.10 -0.65 1.28 -2.14 0.70 0.00 0.00 175.22 174.50 1se9 s PRO 26 N 1.40 2.68 0.53 0.24 0.02 -1.26 -1.22 135.00 137.40 1se9 s PRO 26 Ca 0.03 2.02 0.23 0.00 0.02 0.00 0.00 61.00 63.29 1se9 s PRO 26 Cb -0.15 -1.88 1.39 0.00 0.02 0.00 0.00 34.50 33.87 1se9 s PRO 26 CO -0.04 -1.48 2.05 0.38 -0.33 0.00 0.00 177.00 177.58 1se9 h ASP 27 N 0.67 0.00 0.76 2.53 2.03 -1.94 -0.21 116.42 120.26 1se9 h ASP 27 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1se9 h ASP 27 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1se9 h ASP 27 CO 0.54 0.00 -0.01 0.00 -1.03 0.00 0.00 179.24 178.73 1se9 n ALA 28 N -2.57 2.44 -2.22 4.15 0.00 -1.26 -1.04 120.51 120.00 1se9 n ALA 28 Ca 0.05 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 1se9 n ALA 28 Cb 0.42 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1se9 n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1se9 s THR 29 N -2.77 4.05 0.57 0.00 2.01 -0.09 -4.87 115.64 114.53 1se9 s THR 29 Ca 0.22 1.66 -0.12 0.00 0.31 0.00 0.00 61.69 63.75 1se9 s THR 29 Cb 0.20 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1se9 s THR 29 CO 0.50 0.23 0.98 0.42 -0.69 0.00 0.00 174.62 176.06 1se9 s THR 30 N 0.20 4.68 0.39 -0.82 -4.23 -1.26 -0.39 115.64 114.21 1se9 s THR 30 Ca 0.52 0.90 0.25 0.00 -1.18 0.00 0.00 61.69 62.18 1se9 s THR 30 Cb -0.28 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.00 1se9 s THR 30 CO 0.32 -0.96 2.02 0.58 -0.54 0.00 0.00 174.62 176.05 1se9 h VAL 31 N 0.15 0.67 -0.05 2.29 2.07 -0.36 -0.11 116.25 120.91 1se9 h VAL 31 Ca -0.45 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1se9 h VAL 31 Cb 1.19 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1se9 h VAL 31 CO 0.62 0.15 0.03 -1.28 0.02 0.00 0.00 177.57 177.11 1se9 h SER 32 N 0.00 0.06 0.86 0.57 0.87 -1.58 -1.57 113.55 112.76 1se9 h SER 32 Ca -0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1se9 h SER 32 Cb 0.39 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1se9 h SER 32 CO 0.02 0.05 -0.12 0.00 -0.53 0.00 0.00 176.83 176.25 1se9 h ALA 33 N 1.01 1.05 -0.45 6.23 0.00 -1.64 -2.05 119.26 123.41 1se9 h ALA 33 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1se9 h ALA 33 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1se9 h ALA 33 CO -0.00 0.15 0.06 1.25 0.00 0.00 0.00 179.25 180.70 1se9 h LEU 34 N 0.00 0.73 -0.75 0.00 5.85 -0.36 -1.06 115.31 119.71 1se9 h LEU 34 Ca -0.00 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 1se9 h LEU 34 Cb 0.58 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1se9 h LEU 34 CO 0.02 0.81 -0.40 0.11 -0.34 0.00 0.00 178.44 178.64 1se9 h LYS 35 N 0.61 0.48 -0.81 1.25 6.56 -0.81 -2.92 116.57 120.94 1se9 h LYS 35 Ca 0.13 -0.24 0.09 0.00 -1.06 0.00 0.00 60.65 59.58 1se9 h LYS 35 Cb 0.41 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.01 1se9 h LYS 35 CO 0.01 0.80 0.53 0.93 -2.06 0.00 0.00 179.45 179.66 1se9 h GLU 36 N 0.39 0.76 -0.49 3.15 4.39 -0.97 1.00 114.58 122.81 1se9 h GLU 36 Ca 0.03 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1se9 h GLU 36 Cb 0.88 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1se9 h GLU 36 CO 0.07 0.50 0.19 1.15 -1.16 0.00 0.00 179.01 179.76 1se9 h THR 37 N 0.78 1.21 0.03 1.13 2.02 -1.01 -1.16 112.91 115.91 1se9 h THR 37 Ca 0.37 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1se9 h THR 37 Cb 0.39 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1se9 h THR 37 CO -0.14 0.25 -0.01 0.58 0.37 0.00 0.00 175.52 176.57 1se9 h VAL 38 N 0.65 1.10 -0.79 3.16 2.07 -1.03 -2.72 116.25 118.69 1se9 h VAL 38 Ca 0.16 -0.42 0.12 0.00 0.82 0.00 0.00 66.70 67.39 1se9 h VAL 38 Cb 0.21 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1se9 h VAL 38 CO -0.01 0.11 0.52 0.40 0.02 0.00 0.00 177.57 178.60 1se9 h ILE 39 N -0.22 0.88 -0.37 4.57 2.04 -0.73 0.35 117.51 124.03 1se9 h ILE 39 Ca -0.00 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.49 1se9 h ILE 39 Cb 0.20 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1se9 h ILE 39 CO 0.01 0.11 -0.39 0.28 0.00 0.00 0.00 178.15 178.15 1se9 h SER 40 N 0.61 0.98 0.25 1.72 0.02 -1.00 -3.29 113.55 112.83 1se9 h SER 40 Ca 0.38 -0.45 -0.34 0.00 -0.84 0.00 0.00 61.79 60.54 1se9 h SER 40 Cb 0.62 -0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.91 1se9 h SER 40 CO -0.14 1.24 -1.62 -0.33 -1.14 0.00 0.00 176.83 174.84 1se9 h GLU 41 N 0.74 0.45 -6.76 3.45 4.39 -0.95 -3.47 114.58 112.43 1se9 h GLU 41 Ca 0.06 -0.77 -0.52 0.00 0.34 0.00 0.00 59.36 58.47 1se9 h GLU 41 Cb 0.98 0.28 0.05 0.00 -0.10 0.00 0.00 28.75 29.97 1se9 h GLU 41 CO 0.10 1.36 0.71 -0.46 -1.16 0.00 0.00 179.01 179.56 1se9 s TRP 42 N -2.59 3.07 -0.16 4.33 -0.11 0.11 -4.90 118.94 118.69 1se9 s TRP 42 Ca -0.12 1.15 -0.36 0.00 1.22 0.00 0.00 56.10 57.99 1se9 s TRP 42 Cb 0.05 -3.75 -0.13 0.00 -1.50 0.00 0.00 33.47 28.15 1se9 s TRP 42 CO 0.90 -2.35 1.88 -2.30 -4.62 0.00 0.00 176.95 170.46 1se9 n PRO 43 N 2.06 1.85 0.29 5.86 -0.02 -1.26 -4.85 135.00 138.93 1se9 n PRO 43 Ca 0.05 0.67 0.17 0.00 -2.02 0.00 0.00 63.50 62.37 1se9 n PRO 43 Cb 0.41 -2.51 0.88 0.00 -0.02 0.00 0.00 33.50 32.25 1se9 n PRO 43 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1se9 h ARG 44 N 9.08 0.00 0.00 -0.52 0.11 -1.90 -2.12 114.38 119.02 1se9 h ARG 44 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1se9 h ARG 44 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1se9 h ARG 44 CO 0.96 0.05 -0.07 -1.91 0.10 0.00 0.00 179.97 179.10 1se9 n GLU 45 N -3.42 0.08 -2.20 0.08 2.13 -1.26 -4.80 120.64 111.25 1se9 n GLU 45 Ca -0.02 0.06 -0.43 0.00 0.66 0.00 0.00 57.16 57.43 1se9 n GLU 45 Cb 0.19 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.28 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1se9 s LYS 46 N -3.03 3.47 0.22 5.31 2.36 -0.80 -4.95 119.74 122.32 1se9 s LYS 46 Ca 0.13 1.15 -0.30 0.00 -2.55 0.00 0.00 55.97 54.40 1se9 s LYS 46 Cb 0.17 -4.10 -0.08 0.00 -1.05 0.00 0.00 37.83 32.77 1se9 s LYS 46 CO 0.57 -1.69 1.15 -1.21 1.55 0.00 0.00 175.35 175.72 1se9 s GLU 47 N 5.24 4.56 -0.40 4.03 0.41 -1.26 -4.19 118.70 127.10 1se9 s GLU 47 Ca 0.69 1.82 -0.21 0.00 -0.41 0.00 0.00 54.97 56.87 1se9 s GLU 47 Cb -0.17 -3.23 0.03 0.00 -1.78 0.00 0.00 34.13 28.98 1se9 s GLU 47 CO 0.33 0.04 0.52 0.09 -0.49 0.00 0.00 175.26 175.75 1se9 n ASN 48 N 2.01 -7.10 0.00 -0.19 5.03 -1.26 -4.95 115.26 108.80 1se9 n ASN 48 Ca 0.02 0.41 0.00 0.00 0.87 0.00 0.00 54.58 55.88 1se9 n ASN 48 Cb 0.45 -3.96 0.00 0.00 -1.02 0.00 0.00 39.78 35.25 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1se9 n GLY 49 N -0.05 -1.24 2.15 7.41 0.00 -1.26 -4.85 105.19 107.35 1se9 n GLY 49 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1se9 n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1se9 n PRO 50 N -0.00 0.00 0.06 1.61 -0.02 -1.26 -4.19 135.00 131.20 1se9 n PRO 50 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 1se9 n PRO 50 Cb 0.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 33.50 32.10 1se9 n PRO 50 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1se9 h LYS 51 N 4.09 0.00 -5.06 -0.52 3.11 -1.87 -3.41 116.57 112.91 1se9 h LYS 51 Ca 0.00 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 57.38 1se9 h LYS 51 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.09 1se9 h LYS 51 CO 0.12 0.90 -0.58 0.95 -2.81 0.00 0.00 179.45 178.03 1se9 s THR 52 N -2.73 0.79 0.55 1.00 -4.23 -1.26 -4.86 115.64 104.90 1se9 s THR 52 Ca 0.01 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.77 1se9 s THR 52 Cb 0.10 -2.61 0.35 0.00 1.34 0.00 0.00 72.50 71.68 1se9 s THR 52 CO 0.81 0.00 2.08 1.62 -0.54 0.00 0.00 174.62 178.59 1se9 h VAL 53 N 2.10 0.68 0.00 2.29 3.04 -1.89 -1.85 116.25 120.62 1se9 h VAL 53 Ca -0.38 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.19 1se9 h VAL 53 Cb 1.25 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1se9 h VAL 53 CO 0.62 0.00 -0.57 0.50 -1.01 0.00 0.00 177.57 177.11 1se9 h LYS 54 N 0.00 0.00 -0.00 4.17 3.64 -1.98 -3.21 116.57 119.19 1se9 h LYS 54 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1se9 h LYS 54 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1se9 h LYS 54 CO -0.00 0.57 -0.25 0.39 -2.27 0.00 0.00 179.45 177.89 1se9 n GLU 55 N -3.36 0.50 -3.88 1.90 4.71 -0.69 -4.77 120.64 115.05 1se9 n GLU 55 Ca 0.01 -0.24 -0.35 0.00 -0.01 0.00 0.00 57.16 56.56 1se9 n GLU 55 Cb 0.71 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.51 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1se9 s VAL 56 N -2.66 3.40 -0.03 2.62 1.01 -1.21 -1.59 120.40 121.93 1se9 s VAL 56 Ca 0.21 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1se9 s VAL 56 Cb 0.19 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1se9 s VAL 56 CO 0.55 0.24 -0.16 -0.54 0.00 0.00 0.00 175.10 175.19 1se9 s LYS 57 N 1.44 2.39 -0.15 2.72 1.02 -0.59 -4.98 119.74 121.59 1se9 s LYS 57 Ca 0.03 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 1se9 s LYS 57 Cb -0.16 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1se9 s LYS 57 CO -0.02 0.60 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.39 1se9 s LEU 58 N -0.83 2.77 -0.15 3.17 2.01 -1.26 -0.49 118.68 123.89 1se9 s LEU 58 Ca 0.12 -0.33 0.01 0.00 0.01 0.00 0.00 54.13 53.94 1se9 s LEU 58 Cb -0.11 -1.64 0.00 0.00 0.01 0.00 0.00 46.19 44.46 1se9 s LEU 58 CO 0.01 0.14 -0.18 -0.63 1.01 0.00 0.00 176.35 176.70 1se9 s ILE 59 N 0.53 2.44 -0.10 -0.59 1.01 0.66 -1.65 121.20 123.50 1se9 s ILE 59 Ca -0.08 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1se9 s ILE 59 Cb -0.15 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1se9 s ILE 59 CO 0.04 0.53 -0.10 -0.55 0.00 0.00 0.00 174.94 174.85 1se9 s SER 60 N 0.88 2.05 -1.42 3.58 0.15 -0.11 -0.68 113.70 118.14 1se9 s SER 60 Ca -0.05 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1se9 s SER 60 Cb -0.15 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1se9 s SER 60 CO -0.02 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.37 1se9 n ALA 61 N 4.48 -0.26 -1.24 5.45 0.00 -1.26 -1.98 120.51 125.69 1se9 n ALA 61 Ca -0.17 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1se9 n ALA 61 Cb 0.51 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1se9 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1se9 n GLY 62 N -1.20 0.45 2.88 0.00 0.00 -1.26 -5.05 105.19 101.01 1se9 n GLY 62 Ca -0.15 -0.95 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1se9 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1se9 s LYS 63 N -2.51 0.60 -0.07 1.61 2.36 -0.84 -5.13 119.74 115.75 1se9 s LYS 63 Ca 0.00 -0.07 -0.21 0.00 -2.55 0.00 0.00 55.97 53.14 1se9 s LYS 63 Cb 0.00 -0.65 -0.04 0.00 -1.05 0.00 0.00 37.83 36.09 1se9 s LYS 63 CO 0.00 -0.06 0.60 0.54 1.55 0.00 0.00 175.35 177.98 1se9 s VAL 64 N 0.75 5.07 -0.15 4.02 0.11 -1.26 -0.93 120.40 128.01 1se9 s VAL 64 Ca -0.09 1.23 -0.07 0.00 -2.93 0.00 0.00 61.98 60.12 1se9 s VAL 64 Cb -0.12 -3.94 -0.04 0.00 -1.53 0.00 0.00 36.38 30.75 1se9 s VAL 64 CO -0.00 0.31 0.09 -1.48 -3.33 0.00 0.00 175.10 170.69 1se9 s LEU 65 N 0.56 4.06 0.26 2.54 2.34 -0.66 -5.00 118.68 122.78 1se9 s LEU 65 Ca 0.32 0.26 0.06 0.00 0.06 0.00 0.00 54.13 54.83 1se9 s LEU 65 Cb -0.17 -2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 43.42 1se9 s LEU 65 CO 0.15 0.29 0.30 -0.70 -1.06 0.00 0.00 176.35 175.33 1se9 s GLU 66 N -0.30 3.20 0.65 1.48 -6.30 -1.26 -4.35 118.70 111.81 1se9 s GLU 66 Ca 0.10 -0.91 0.39 0.00 -2.50 0.00 0.00 54.97 52.05 1se9 s GLU 66 Cb -0.12 -2.75 2.18 0.00 0.00 0.00 0.00 34.13 33.44 1se9 s GLU 66 CO 0.01 0.38 2.29 -2.95 0.02 0.00 0.00 175.26 175.01 1se9 h ASN 67 N 1.27 0.00 0.33 -1.70 7.08 -1.97 -3.14 115.58 117.44 1se9 h ASN 67 Ca -0.50 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 52.63 1se9 h ASN 67 Cb 1.24 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.46 1se9 h ASN 67 CO 0.60 0.00 -0.38 0.28 -2.08 0.00 0.00 177.43 175.85 1se9 h SER 68 N 0.00 0.08 -2.35 6.14 0.02 -1.95 -2.06 113.55 113.43 1se9 h SER 68 Ca 0.01 -0.03 -0.44 0.00 -0.84 0.00 0.00 61.79 60.48 1se9 h SER 68 Cb 0.09 -0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.64 1se9 h SER 68 CO -0.00 0.46 -0.13 -1.59 -1.14 0.00 0.00 176.83 174.42 1se9 s LYS 69 N -4.18 2.86 0.46 3.45 -2.85 -1.19 -4.87 119.74 113.41 1se9 s LYS 69 Ca -0.03 -0.77 0.08 0.00 -1.00 0.00 0.00 55.97 54.25 1se9 s LYS 69 Cb 0.14 -2.60 0.02 0.00 -2.06 0.00 0.00 37.83 33.33 1se9 s LYS 69 CO 0.74 -0.37 0.57 0.95 0.10 0.00 0.00 175.35 177.34 1se9 s THR 70 N -2.54 2.70 0.39 3.79 -4.23 -1.26 0.13 115.64 114.62 1se9 s THR 70 Ca 0.52 -1.09 0.22 0.00 -1.18 0.00 0.00 61.69 60.16 1se9 s THR 70 Cb -0.10 -2.78 0.23 0.00 1.34 0.00 0.00 72.50 71.19 1se9 s THR 70 CO 0.36 0.00 1.99 0.58 -0.54 0.00 0.00 174.62 177.01 1se9 h VAL 71 N 0.62 0.80 -0.62 2.29 2.07 -0.70 -2.27 116.25 118.44 1se9 h VAL 71 Ca -0.38 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.52 1se9 h VAL 71 Cb 1.28 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1se9 h VAL 71 CO 0.47 0.18 0.42 0.50 0.02 0.00 0.00 177.57 179.17 1se9 h LYS 72 N 0.00 0.30 -0.28 1.57 3.64 -1.33 -0.66 116.57 119.82 1se9 h LYS 72 Ca -0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1se9 h LYS 72 Cb 0.43 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1se9 h LYS 72 CO 0.02 0.20 -0.23 0.22 -2.27 0.00 0.00 179.45 177.40 1se9 h ASP 73 N 0.31 0.53 -0.28 4.20 3.58 -1.69 -3.12 116.42 119.95 1se9 h ASP 73 Ca 0.30 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1se9 h ASP 73 Cb 0.73 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1se9 h ASP 73 CO -0.07 0.76 0.00 -1.22 -2.88 0.00 0.00 179.24 175.83 1se9 n TYR 74 N -4.13 0.37 -2.03 0.28 4.01 -0.73 -4.99 117.16 109.93 1se9 n TYR 74 Ca -0.00 -0.28 -0.33 0.00 -0.16 0.00 0.00 57.90 57.13 1se9 n TYR 74 Cb 0.40 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.44 1se9 n TYR 74 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1se9 s ARG 75 N -1.15 3.17 0.91 -0.72 1.70 -0.33 -5.04 118.95 117.49 1se9 s ARG 75 Ca 0.27 1.38 -0.13 0.00 -0.47 0.00 0.00 55.73 56.78 1se9 s ARG 75 Cb 0.15 -2.00 0.14 0.00 -0.57 0.00 0.00 34.95 32.67 1se9 s ARG 75 CO 0.21 -0.95 1.18 -1.12 -1.08 0.00 0.00 175.30 173.54 1se9 s SER 76 N -2.40 3.56 1.28 -2.89 0.01 -1.26 -5.03 113.70 106.97 1se9 s SER 76 Ca 0.67 0.78 -0.19 0.00 1.31 0.00 0.00 55.95 58.52 1se9 s SER 76 Cb -0.20 -1.22 0.32 0.00 0.21 0.00 0.00 66.02 65.13 1se9 s SER 76 CO 0.35 -2.50 1.02 -2.84 0.41 0.00 0.00 173.24 169.67 1se9 s PRO 77 N -5.47 -1.85 0.60 12.44 0.02 -1.26 -4.87 135.00 134.61 1se9 s PRO 77 Ca 0.65 0.19 0.31 0.00 0.02 0.00 0.00 61.00 62.17 1se9 s PRO 77 Cb -0.12 -1.50 1.78 0.00 0.02 0.00 0.00 34.50 34.68 1se9 s PRO 77 CO 0.52 -4.18 2.15 -0.24 -0.33 0.00 0.00 177.00 174.93 1se9 h VAL 78 N -2.92 0.41 -2.88 3.83 3.04 -2.03 -3.31 116.25 112.38 1se9 h VAL 78 Ca -0.48 0.00 -0.69 0.00 -1.01 0.00 0.00 66.70 64.53 1se9 h VAL 78 Cb 1.32 0.88 -0.19 0.00 -2.01 0.00 0.00 31.29 31.30 1se9 h VAL 78 CO 0.36 0.00 0.20 -0.55 -1.01 0.00 0.00 177.57 176.57 1se9 s SER 79 N -5.72 6.19 0.08 3.17 0.15 -1.26 -4.96 113.70 111.35 1se9 s SER 79 Ca -0.05 -1.30 -0.01 0.00 0.70 0.00 0.00 55.95 55.29 1se9 s SER 79 Cb 0.15 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1se9 s SER 79 CO 0.52 -1.16 0.13 -0.46 1.20 0.00 0.00 173.24 173.47 1se9 n ASN 80 N 6.60 -0.38 -3.95 5.45 6.94 -1.25 -5.04 115.26 123.63 1se9 n ASN 80 Ca -0.08 -1.42 -0.30 0.00 -0.02 0.00 0.00 54.58 52.76 1se9 n ASN 80 Cb 0.43 0.68 0.21 0.00 -2.36 0.00 0.00 39.78 38.75 1se9 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1se9 s LEU 81 N 0.00 1.81 -0.27 -4.53 1.43 -1.26 -5.06 118.68 110.80 1se9 s LEU 81 Ca 0.06 0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1se9 s LEU 81 Cb -0.01 -2.29 0.09 0.00 0.03 0.00 0.00 46.19 44.02 1se9 s LEU 81 CO 0.04 -3.39 0.11 0.00 0.23 0.00 0.00 176.35 173.34 1se9 s ALA 82 N -3.51 0.83 0.00 4.21 0.00 -1.26 -4.76 121.76 117.28 1se9 s ALA 82 Ca 0.73 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1se9 s ALA 82 Cb -0.06 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1se9 s ALA 82 CO 0.54 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1se9 n GLY 83 N 5.15 0.54 3.49 0.00 0.00 -1.26 -5.08 105.19 108.02 1se9 n GLY 83 Ca -0.06 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1se9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1se9 s ALA 84 N -1.51 2.98 -0.21 4.61 0.00 -1.26 -5.08 121.76 121.29 1se9 s ALA 84 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 1se9 s ALA 84 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1se9 s ALA 84 CO 0.00 0.19 0.11 0.08 0.00 0.00 0.00 175.76 176.15 1se9 s VAL 85 N 0.40 5.13 -0.20 0.00 1.01 -1.26 -3.46 120.40 122.02 1se9 s VAL 85 Ca -0.04 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1se9 s VAL 85 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1se9 s VAL 85 CO 0.03 0.42 0.21 -0.89 0.00 0.00 0.00 175.10 174.86 1se9 s THR 86 N 0.62 5.35 -0.30 3.92 2.01 0.16 -4.97 115.64 122.42 1se9 s THR 86 Ca 0.06 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 1se9 s THR 86 Cb -0.12 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1se9 s THR 86 CO 0.01 0.39 0.37 -0.89 -0.69 0.00 0.00 174.62 173.81 1se9 s THR 87 N 0.62 5.17 -0.11 -0.82 2.01 -1.26 -0.53 115.64 120.72 1se9 s THR 87 Ca 0.11 0.33 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 1se9 s THR 87 Cb -0.12 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1se9 s THR 87 CO 0.02 0.04 0.09 -0.32 -0.69 0.00 0.00 174.62 173.76 1se9 s MET 88 N 2.06 3.28 -0.23 4.92 1.75 0.24 -4.84 119.30 126.48 1se9 s MET 88 Ca 0.14 -0.23 -0.14 0.00 -1.25 0.00 0.00 55.69 54.20 1se9 s MET 88 Cb -0.16 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.42 1se9 s MET 88 CO 0.11 0.75 0.33 -1.01 -0.65 0.00 0.00 175.02 174.55 1se9 s HIS 89 N -0.98 3.33 -0.27 4.11 3.76 0.14 -0.23 115.29 125.15 1se9 s HIS 89 Ca 0.15 0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 55.39 1se9 s HIS 89 Cb -0.12 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 1se9 s HIS 89 CO 0.04 -0.05 0.28 0.08 -0.85 0.00 0.00 174.74 174.24 1se9 s VAL 90 N 1.44 5.25 -0.29 -0.90 1.01 0.59 -0.25 120.40 127.26 1se9 s VAL 90 Ca 0.15 0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 1se9 s VAL 90 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1se9 s VAL 90 CO 0.08 0.22 0.15 -0.63 0.00 0.00 0.00 175.10 174.92 1se9 s ILE 91 N 1.78 4.79 -0.22 2.22 -1.09 0.36 -1.63 121.20 127.41 1se9 s ILE 91 Ca 0.11 -0.17 -0.17 0.00 -2.23 0.00 0.00 60.65 58.20 1se9 s ILE 91 Cb -0.16 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1se9 s ILE 91 CO 0.10 0.19 0.45 -0.63 -1.23 0.00 0.00 174.94 173.81 1se9 s ILE 92 N 1.67 5.15 -0.30 2.92 1.09 -1.26 -1.54 121.20 128.92 1se9 s ILE 92 Ca 0.06 0.78 -0.03 0.00 -1.10 0.00 0.00 60.65 60.36 1se9 s ILE 92 Cb -0.16 -3.77 0.04 0.00 -1.06 0.00 0.00 42.46 37.51 1se9 s ILE 92 CO 0.07 0.18 0.02 -1.10 -0.10 0.00 0.00 174.94 174.02 1se9 s GLN 93 N 1.71 2.59 0.01 2.79 -1.52 -0.62 -5.04 119.66 119.58 1se9 s GLN 93 Ca 0.20 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 52.14 1se9 s GLN 93 Cb -0.15 -3.23 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 1se9 s GLN 93 CO 0.09 -0.58 1.29 0.00 -0.25 0.00 0.00 175.29 175.84 1se9 s ALA 94 N 1.32 3.51 0.37 6.09 0.00 -1.26 -4.55 121.76 127.23 1se9 s ALA 94 Ca -0.03 0.83 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 1se9 s ALA 94 Cb -0.19 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.29 1se9 s ALA 94 CO -0.00 -0.71 1.49 -2.14 0.00 0.00 0.00 175.76 174.40 1se9 s PRO 95 N 1.85 4.12 0.33 0.00 0.02 -1.26 -4.91 135.00 135.15 1se9 s PRO 95 Ca 0.60 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.25 1se9 s PRO 95 Cb -0.30 -2.98 0.58 0.00 0.02 0.00 0.00 34.50 31.83 1se9 s PRO 95 CO 0.26 -0.54 1.80 -0.24 -0.33 0.00 0.00 177.00 177.96 1se9 h VAL 96 N 3.02 1.24 -3.86 3.83 3.04 -2.03 -3.43 116.25 118.06 1se9 h VAL 96 Ca -0.50 -1.11 -0.26 0.00 -1.01 0.00 0.00 66.70 63.82 1se9 h VAL 96 Cb 1.24 1.35 -0.26 0.00 -2.01 0.00 0.00 31.29 31.61 1se9 h VAL 96 CO 0.66 0.34 -0.73 0.28 -1.01 0.00 0.00 177.57 177.11 1se9 s THR 97 N -4.53 0.23 0.30 3.17 -1.32 -1.26 -5.00 115.64 107.23 1se9 s THR 97 Ca -0.06 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 1se9 s THR 97 Cb 0.14 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.88 1se9 s THR 97 CO 0.76 -0.11 0.00 1.21 -2.21 0.00 0.00 174.62 174.27 1se9 n GLU 98 N 2.54 0.00 0.00 7.08 2.13 -1.26 -5.08 120.64 126.05 1se9 n GLU 98 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1se9 n GLU 98 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 1se9 n GLU 98 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1se9 n LYS 99 N -3.29 0.00 -2.03 5.31 4.81 -1.26 -5.10 118.16 116.60 1se9 n LYS 99 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1se9 n LYS 99 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1se9 n LYS 99 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1se9 n GLU 100 N 0.00 -1.94 0.00 1.64 0.00 -1.26 -5.09 120.64 113.98 1se9 n GLU 100 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 57.16 58.92 1se9 n GLU 100 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 31.44 28.47 1se9 n GLU 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30