#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 0.82 -0.51 4.31 0.00 -1.26 -5.08 121.76 120.04 1se9 s ALA 2 Ca 0.00 -0.44 -0.40 0.00 0.00 0.00 0.00 51.96 51.12 1se9 s ALA 2 Cb 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 23.12 22.74 1se9 s ALA 2 CO 0.00 0.20 2.22 0.39 0.00 0.00 0.00 175.76 178.56 1se9 n GLU 3 N 2.80 0.28 -2.35 0.00 4.71 -1.26 -4.86 120.64 119.97 1se9 n GLU 3 Ca -0.14 0.07 -0.41 0.00 -0.01 0.00 0.00 57.16 56.68 1se9 n GLU 3 Cb 0.57 -1.77 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 1se9 n GLU 3 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1se9 s VAL 4 N 6.75 3.27 0.68 2.62 0.11 -1.26 -5.04 120.40 127.53 1se9 s VAL 4 Ca 1.19 1.23 0.02 0.00 -2.93 0.00 0.00 61.98 61.49 1se9 s VAL 4 Cb -1.29 -3.78 0.12 0.00 -1.53 0.00 0.00 36.38 29.89 1se9 s VAL 4 CO 0.59 0.27 0.94 -1.00 -3.33 0.00 0.00 175.10 172.57 1se9 s HIS 5 N -0.93 1.55 -0.66 1.54 3.76 -1.26 -5.03 115.29 114.26 1se9 s HIS 5 Ca 0.48 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.78 1se9 s HIS 5 Cb -0.34 -2.78 0.09 0.00 1.11 0.00 0.00 32.58 30.65 1se9 s HIS 5 CO 0.44 -1.55 0.90 -0.80 -0.85 0.00 0.00 174.74 172.87 1se9 s ASN 6 N -4.71 6.22 0.28 1.40 -0.87 -1.26 -5.00 114.94 110.99 1se9 s ASN 6 Ca 0.65 -1.22 -0.02 0.00 -1.57 0.00 0.00 52.86 50.70 1se9 s ASN 6 Cb -0.05 -2.38 -0.04 0.00 -0.02 0.00 0.00 41.25 38.75 1se9 s ASN 6 CO 0.43 -1.31 0.50 -1.10 -2.57 0.00 0.00 177.10 173.04 1se9 s GLN 7 N 3.52 3.55 -0.19 -0.60 1.11 -1.26 -4.74 119.66 121.05 1se9 s GLN 7 Ca 0.20 -0.22 -0.08 0.00 0.01 0.00 0.00 55.36 55.27 1se9 s GLN 7 Cb -0.18 -2.72 -0.04 0.00 -1.01 0.00 0.00 33.01 29.06 1se9 s GLN 7 CO 0.07 0.26 0.07 -0.51 0.01 0.00 0.00 175.29 175.19 1se9 s LEU 8 N -3.70 3.87 -0.23 2.90 1.02 0.59 -2.53 118.68 120.60 1se9 s LEU 8 Ca 0.41 0.10 -0.18 0.00 0.02 0.00 0.00 54.13 54.48 1se9 s LEU 8 Cb -0.10 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 1se9 s LEU 8 CO 0.31 0.17 0.53 -1.61 0.02 0.00 0.00 176.35 175.78 1se9 s GLU 9 N 0.38 4.13 -0.11 1.70 2.02 0.52 -1.05 118.70 126.29 1se9 s GLU 9 Ca 0.04 0.39 -0.02 0.00 0.02 0.00 0.00 54.97 55.39 1se9 s GLU 9 Cb -0.12 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 1se9 s GLU 9 CO -0.00 -0.27 -0.02 0.42 0.02 0.00 0.00 175.26 175.41 1se9 s ILE 10 N 2.03 4.14 0.05 -1.63 1.01 0.35 0.52 121.20 127.67 1se9 s ILE 10 Ca 0.23 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.66 1se9 s ILE 10 Cb -0.16 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1se9 s ILE 10 CO 0.09 0.57 -0.23 -1.59 0.00 0.00 0.00 174.94 173.78 1se9 s LYS 11 N -0.49 1.49 -0.30 2.79 -2.85 -0.37 -1.01 119.74 119.00 1se9 s LYS 11 Ca 0.08 -1.03 -0.17 0.00 -1.00 0.00 0.00 55.97 53.85 1se9 s LYS 11 Cb -0.12 -1.66 -0.02 0.00 -2.06 0.00 0.00 37.83 33.98 1se9 s LYS 11 CO 0.02 0.42 0.49 -0.06 0.10 0.00 0.00 175.35 176.32 1se9 s PHE 12 N -0.84 3.22 -0.38 1.78 0.08 -1.23 -1.35 117.98 119.26 1se9 s PHE 12 Ca 0.09 0.38 -0.11 0.00 0.12 0.00 0.00 56.93 57.41 1se9 s PHE 12 Cb -0.09 -2.78 0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1se9 s PHE 12 CO 0.02 -0.39 0.21 0.50 -0.10 0.00 0.00 175.22 175.46 1se9 s ARG 13 N 2.30 2.79 0.25 0.44 3.00 0.70 -0.49 118.95 127.94 1se9 s ARG 13 Ca 0.19 -1.12 -0.26 0.00 -1.00 0.00 0.00 55.73 53.54 1se9 s ARG 13 Cb -0.16 -3.74 -0.09 0.00 0.00 0.00 0.00 34.95 30.97 1se9 s ARG 13 CO 0.11 -0.73 0.87 -0.51 0.00 0.00 0.00 175.30 175.04 1se9 s LEU 14 N 1.54 4.46 0.18 -0.88 2.01 0.74 0.14 118.68 126.88 1se9 s LEU 14 Ca 0.02 1.74 0.15 0.00 0.01 0.00 0.00 54.13 56.05 1se9 s LEU 14 Cb -0.20 -3.70 0.74 0.00 0.01 0.00 0.00 46.19 43.04 1se9 s LEU 14 CO 0.06 0.06 1.45 1.07 1.01 0.00 0.00 176.35 180.00 1se9 n THR 15 N 1.01 1.29 1.00 5.49 5.66 -0.36 -1.08 114.28 127.28 1se9 n THR 15 Ca -0.01 0.54 0.13 0.00 -3.05 0.00 0.00 64.05 61.65 1se9 n THR 15 Cb 0.49 -1.50 0.59 0.00 -1.55 0.00 0.00 70.33 68.36 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 -1.95 0.00 0.00 1.09 2.03 -1.26 -4.86 116.55 111.60 1se9 n ASP 16 Ca 0.00 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1se9 n ASP 16 Cb 0.07 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.03 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 1.10 0.72 3.99 0.27 0.00 -0.24 -5.05 105.19 105.97 1se9 n GLY 17 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1se9 n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1se9 s SER 18 N -2.76 5.98 0.03 1.61 0.01 -1.23 -4.94 113.70 112.41 1se9 s SER 18 Ca 0.00 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.94 1se9 s SER 18 Cb 0.00 -1.26 0.03 0.00 0.21 0.00 0.00 66.02 64.99 1se9 s SER 18 CO 0.00 -0.43 0.35 1.51 0.41 0.00 0.00 173.24 175.08 1se9 s ASP 19 N -4.17 -0.20 -0.08 2.44 -4.77 -1.26 -0.19 116.67 108.44 1se9 s ASP 19 Ca 0.45 -0.07 -0.02 0.00 -3.30 0.00 0.00 52.55 49.61 1se9 s ASP 19 Cb -0.10 0.38 -0.03 0.00 -1.09 0.00 0.00 42.92 42.08 1se9 s ASP 19 CO 0.31 -0.61 0.00 -0.63 0.70 0.00 0.00 175.17 174.94 1se9 s ILE 20 N -2.35 4.32 0.29 2.11 1.01 0.35 -4.98 121.20 121.95 1se9 s ILE 20 Ca -0.06 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.02 1se9 s ILE 20 Cb -0.01 -2.82 -0.11 0.00 0.01 0.00 0.00 42.46 39.52 1se9 s ILE 20 CO -0.02 0.59 1.61 -0.83 0.00 0.00 0.00 174.94 176.29 1se9 s GLY 21 N -0.94 2.03 0.43 6.18 0.00 -1.26 -3.52 107.32 110.25 1se9 s GLY 21 Ca 0.14 1.58 -0.26 0.00 0.00 0.00 0.00 44.72 46.18 1se9 s GLY 21 CO 0.03 2.59 1.45 2.56 0.00 0.00 0.00 173.10 179.72 1se9 s PRO 22 N -0.36 3.78 0.30 2.90 0.04 -1.26 -4.81 135.00 135.58 1se9 s PRO 22 Ca 0.64 2.47 0.09 0.00 0.04 0.00 0.00 61.00 64.25 1se9 s PRO 22 Cb -0.48 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1se9 s PRO 22 CO 0.47 -0.76 -0.12 0.15 0.04 0.00 0.00 177.00 176.78 1se9 s LYS 23 N -2.37 1.67 -0.23 4.56 1.02 -0.18 -4.87 119.74 119.35 1se9 s LYS 23 Ca 0.59 -1.83 -0.19 0.00 0.02 0.00 0.00 55.97 54.56 1se9 s LYS 23 Cb -0.45 -1.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1se9 s LYS 23 CO 0.58 0.17 0.56 0.00 -0.92 0.00 0.00 175.35 175.74 1se9 s ALA 24 N -2.72 3.57 -0.03 5.17 0.00 -1.26 -0.50 121.76 126.00 1se9 s ALA 24 Ca 0.30 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1se9 s ALA 24 Cb 0.01 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 1se9 s ALA 24 CO 0.14 -0.61 -0.14 -0.06 0.00 0.00 0.00 175.76 175.09 1se9 s PHE 25 N 2.04 1.37 0.62 0.00 0.40 -0.21 -4.93 117.98 117.26 1se9 s PHE 25 Ca 0.24 -0.35 -0.19 0.00 -0.60 0.00 0.00 56.93 56.04 1se9 s PHE 25 Cb -0.16 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.43 1se9 s PHE 25 CO 0.09 -0.11 1.32 -2.14 0.70 0.00 0.00 175.22 175.09 1se9 s PRO 26 N -0.01 2.70 0.53 0.24 0.02 -1.26 -0.30 135.00 136.92 1se9 s PRO 26 Ca -0.01 2.14 0.32 0.00 0.02 0.00 0.00 61.00 63.46 1se9 s PRO 26 Cb -0.09 -1.96 1.30 0.00 0.02 0.00 0.00 34.50 33.76 1se9 s PRO 26 CO 0.01 -1.50 1.96 0.22 -0.33 0.00 0.00 177.00 177.36 1se9 h ASP 27 N 0.80 0.00 -0.07 2.53 3.58 -1.89 -1.76 116.42 119.61 1se9 h ASP 27 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1se9 h ASP 27 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 1se9 h ASP 27 CO 0.54 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 1se9 n ALA 28 N -2.13 2.55 -1.81 -0.78 0.00 -1.26 -0.28 120.51 116.80 1se9 n ALA 28 Ca 0.00 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 1se9 n ALA 28 Cb 0.32 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.91 2.89 0.37 0.00 2.01 -0.67 -4.74 115.64 113.60 1se9 s THR 29 Ca 0.22 0.86 -0.26 0.00 0.31 0.00 0.00 61.69 62.82 1se9 s THR 29 Cb 0.11 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1se9 s THR 29 CO 0.17 0.19 1.08 0.42 -0.69 0.00 0.00 174.62 175.79 1se9 s THR 30 N -0.89 3.57 0.40 -0.82 -4.23 -1.26 -0.77 115.64 111.64 1se9 s THR 30 Ca 0.50 1.32 0.23 0.00 -1.18 0.00 0.00 61.69 62.56 1se9 s THR 30 Cb -0.38 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 69.97 1se9 s THR 30 CO 0.48 0.12 2.02 0.58 -0.54 0.00 0.00 174.62 177.28 1se9 h VAL 31 N 2.44 0.74 -0.88 2.29 2.07 -0.81 -1.09 116.25 121.01 1se9 h VAL 31 Ca -0.48 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1se9 h VAL 31 Cb 1.22 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1se9 h VAL 31 CO 0.63 0.16 0.58 0.28 0.02 0.00 0.00 177.57 179.25 1se9 h SER 32 N 0.00 0.99 0.24 0.57 0.02 -1.57 -2.39 113.55 111.41 1se9 h SER 32 Ca -0.00 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1se9 h SER 32 Cb 0.39 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1se9 h SER 32 CO 0.02 0.71 -0.24 0.00 -1.14 0.00 0.00 176.83 176.18 1se9 h ALA 33 N 1.33 1.60 -0.55 3.77 0.00 -1.51 -0.37 119.26 123.53 1se9 h ALA 33 Ca 0.33 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1se9 h ALA 33 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1se9 h ALA 33 CO -0.08 0.30 0.33 -0.07 0.00 0.00 0.00 179.25 179.73 1se9 h LEU 34 N 0.00 0.53 -0.44 0.00 -0.00 -1.28 0.45 115.31 114.57 1se9 h LEU 34 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.71 1se9 h LEU 34 Cb 0.43 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1se9 h LEU 34 CO 0.03 0.38 -0.62 0.11 -0.00 0.00 0.00 178.44 178.34 1se9 h LYS 35 N 0.65 0.55 -0.59 1.13 1.57 -1.11 0.27 116.57 119.04 1se9 h LYS 35 Ca 0.22 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1se9 h LYS 35 Cb 0.02 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1se9 h LYS 35 CO -0.09 1.00 0.32 0.93 -0.57 0.00 0.00 179.45 181.04 1se9 h GLU 36 N 0.41 0.81 -0.08 3.15 4.39 -0.80 -1.55 114.58 120.92 1se9 h GLU 36 Ca -0.01 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 59.42 1se9 h GLU 36 Cb 1.18 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1se9 h GLU 36 CO 0.12 0.60 -0.68 1.15 -1.16 0.00 0.00 179.01 179.03 1se9 h THR 37 N 0.82 1.34 -0.77 1.13 2.02 -0.63 -3.16 112.91 113.67 1se9 h THR 37 Ca 0.21 -1.98 -0.02 0.00 0.77 0.00 0.00 66.41 65.38 1se9 h THR 37 Cb 0.02 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1se9 h THR 37 CO -0.03 0.60 0.39 1.62 0.37 0.00 0.00 175.52 178.46 1se9 h VAL 38 N 0.23 1.24 -0.86 3.16 3.04 -0.45 0.19 116.25 122.79 1se9 h VAL 38 Ca -0.06 -0.66 -0.03 0.00 -1.01 0.00 0.00 66.70 64.94 1se9 h VAL 38 Cb 1.34 0.26 -0.04 0.00 -2.01 0.00 0.00 31.29 30.84 1se9 h VAL 38 CO 0.14 0.28 0.43 0.40 -1.01 0.00 0.00 177.57 177.81 1se9 h ILE 39 N 1.08 1.26 -0.01 3.17 2.04 -1.40 0.37 117.51 124.04 1se9 h ILE 39 Ca 0.27 -0.72 -0.19 0.00 1.00 0.00 0.00 64.86 65.22 1se9 h ILE 39 Cb 0.10 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1se9 h ILE 39 CO -0.04 0.31 -0.83 0.28 0.00 0.00 0.00 178.15 177.88 1se9 h SER 40 N 1.23 0.23 0.60 1.72 0.02 -1.34 -3.28 113.55 112.74 1se9 h SER 40 Ca 0.30 -0.18 -0.28 0.00 -0.84 0.00 0.00 61.79 60.79 1se9 h SER 40 Cb 0.10 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1se9 h SER 40 CO -0.04 0.96 -1.37 -0.08 -1.14 0.00 0.00 176.83 175.16 1se9 h GLU 41 N 0.11 0.19 -6.90 3.45 4.57 -0.24 -3.46 114.58 112.30 1se9 h GLU 41 Ca -0.03 -0.32 -0.52 0.00 -1.18 0.00 0.00 59.36 57.30 1se9 h GLU 41 Cb 1.44 0.12 0.07 0.00 -0.16 0.00 0.00 28.75 30.22 1se9 h GLU 41 CO 0.12 1.07 0.64 -0.46 -1.18 0.00 0.00 179.01 179.20 1se9 s TRP 42 N -2.64 2.99 -0.34 0.92 -0.11 0.13 -4.83 118.94 115.05 1se9 s TRP 42 Ca -0.05 1.41 -0.32 0.00 1.22 0.00 0.00 56.10 58.35 1se9 s TRP 42 Cb 0.08 -3.69 -0.14 0.00 -1.50 0.00 0.00 33.47 28.22 1se9 s TRP 42 CO 0.85 -1.94 1.19 -2.30 -4.62 0.00 0.00 176.95 170.13 1se9 n PRO 43 N 0.65 0.00 0.22 5.86 -0.02 -1.26 -4.82 135.00 135.62 1se9 n PRO 43 Ca 0.01 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 1se9 n PRO 43 Cb 0.42 -1.03 0.50 0.00 -0.02 0.00 0.00 33.50 33.37 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 4.11 0.00 0.00 -0.52 0.11 -1.89 -2.44 114.38 113.74 1se9 h ARG 44 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1se9 h ARG 44 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1se9 h ARG 44 CO 0.69 0.25 0.00 1.05 0.10 0.00 0.00 179.97 182.06 1se9 h GLU 45 N 0.00 0.00 -6.93 0.08 4.11 -2.01 -3.45 114.58 106.38 1se9 h GLU 45 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.94 1se9 h GLU 45 Cb 0.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1se9 h GLU 45 CO 0.03 0.00 0.44 0.15 0.07 0.00 0.00 179.01 179.70 1se9 s LYS 46 N -3.21 4.22 -0.00 1.06 -0.14 -0.92 -5.04 119.74 115.71 1se9 s LYS 46 Ca 0.08 1.63 -0.14 0.00 -1.36 0.00 0.00 55.97 56.17 1se9 s LYS 46 Cb 0.09 -2.68 0.02 0.00 -1.68 0.00 0.00 37.83 33.59 1se9 s LYS 46 CO 0.59 -0.12 0.30 -2.00 -0.76 0.00 0.00 175.35 173.36 1se9 s GLU 47 N -2.27 0.69 -1.61 1.68 2.12 -1.26 -4.84 118.70 113.21 1se9 s GLU 47 Ca 0.55 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1se9 s GLU 47 Cb -0.25 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1se9 s GLU 47 CO 0.32 -0.19 0.00 -1.71 -0.54 0.00 0.00 175.26 173.14 1se9 n ASN 48 N 1.15 -4.84 -1.05 -1.70 5.15 -1.26 -4.96 115.26 107.75 1se9 n ASN 48 Ca -0.21 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1se9 n ASN 48 Cb 0.57 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1se9 n GLY 49 N -1.07 5.69 2.07 8.20 0.00 -1.26 -4.62 105.19 114.20 1se9 n GLY 49 Ca -0.16 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.74 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 1.07 -0.09 1.61 -0.02 -1.26 -4.33 135.00 131.98 1se9 n PRO 50 Ca 0.00 -0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 60.83 1se9 n PRO 50 Cb 0.00 -1.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1se9 n PRO 50 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1se9 n LYS 51 N 2.45 0.68 -2.89 -0.52 4.81 -1.26 -4.96 118.16 116.47 1se9 n LYS 51 Ca 0.20 0.19 -0.19 0.00 -0.87 0.00 0.00 58.31 57.63 1se9 n LYS 51 Cb 0.50 -1.57 0.04 0.00 0.02 0.00 0.00 35.03 34.01 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1se9 s THR 52 N -2.53 2.68 0.33 3.15 -4.23 -1.26 -4.02 115.64 109.76 1se9 s THR 52 Ca -0.31 -0.88 0.16 0.00 -1.18 0.00 0.00 61.69 59.47 1se9 s THR 52 Cb 0.08 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.25 1se9 s THR 52 CO 0.65 0.00 1.83 1.62 -0.54 0.00 0.00 174.62 178.18 1se9 h VAL 53 N 0.31 1.11 -0.55 2.29 3.04 -1.91 -3.16 116.25 117.38 1se9 h VAL 53 Ca -0.38 -1.27 -0.10 0.00 -1.01 0.00 0.00 66.70 63.94 1se9 h VAL 53 Cb 1.28 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 32.26 1se9 h VAL 53 CO 0.45 0.34 -0.07 0.11 -1.01 0.00 0.00 177.57 177.40 1se9 h LYS 54 N 0.00 0.99 -0.50 4.17 1.57 -2.00 -3.12 116.57 117.67 1se9 h LYS 54 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1se9 h LYS 54 Cb 0.68 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1se9 h LYS 54 CO 0.05 1.01 0.00 -0.85 -0.57 0.00 0.00 179.45 179.09 1se9 n GLU 55 N -4.16 3.09 -4.07 3.15 0.00 -1.20 -4.91 120.64 112.54 1se9 n GLU 55 Ca 0.02 -2.52 -0.33 0.00 0.00 0.00 0.00 57.16 54.33 1se9 n GLU 55 Cb 0.37 -1.58 -0.15 0.00 0.00 0.00 0.00 31.44 30.08 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1se9 s VAL 56 N -1.46 2.33 0.01 3.84 1.01 -1.18 -0.97 120.40 123.98 1se9 s VAL 56 Ca 0.39 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1se9 s VAL 56 Cb 0.24 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1se9 s VAL 56 CO 0.21 0.44 -0.18 -0.54 0.00 0.00 0.00 175.10 175.04 1se9 s LYS 57 N 1.30 2.18 -0.20 2.72 3.01 -0.66 -4.91 119.74 123.17 1se9 s LYS 57 Ca 0.03 -0.91 -0.07 0.00 -1.01 0.00 0.00 55.97 54.01 1se9 s LYS 57 Cb -0.14 -2.22 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 1se9 s LYS 57 CO -0.10 0.56 0.07 -0.51 0.51 0.00 0.00 175.35 175.88 1se9 s LEU 58 N -1.20 3.71 -0.17 3.17 2.01 -1.26 -1.67 118.68 123.26 1se9 s LEU 58 Ca 0.14 -0.01 0.01 0.00 0.01 0.00 0.00 54.13 54.28 1se9 s LEU 58 Cb -0.10 -1.96 0.01 0.00 0.01 0.00 0.00 46.19 44.15 1se9 s LEU 58 CO 0.04 0.10 -0.19 -0.63 1.01 0.00 0.00 176.35 176.68 1se9 s ILE 59 N 0.79 2.19 -0.13 -0.59 1.01 0.74 -0.45 121.20 124.75 1se9 s ILE 59 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1se9 s ILE 59 Cb -0.13 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1se9 s ILE 59 CO 0.02 0.53 -0.13 -0.44 0.00 0.00 0.00 174.94 174.92 1se9 s SER 60 N 1.10 2.49 -1.48 3.58 0.01 -0.35 -0.38 113.70 118.67 1se9 s SER 60 Ca 0.00 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1se9 s SER 60 Cb -0.14 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1se9 s SER 60 CO -0.08 -0.04 0.00 0.00 0.41 0.00 0.00 173.24 173.53 1se9 n ALA 61 N 4.61 -0.21 -0.26 1.44 0.00 -1.26 -0.96 120.51 123.86 1se9 n ALA 61 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1se9 n ALA 61 Cb 0.50 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.78 0.84 3.61 0.00 0.00 -1.26 -5.06 105.19 102.54 1se9 n GLY 62 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1se9 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1se9 s LYS 63 N -0.74 3.94 -0.35 1.61 1.02 -0.14 -5.05 119.74 120.04 1se9 s LYS 63 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.34 1se9 s LYS 63 Cb 0.00 -3.23 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1se9 s LYS 63 CO 0.00 0.22 1.10 0.08 -0.92 0.00 0.00 175.35 175.82 1se9 s VAL 64 N 0.53 4.43 0.04 3.17 1.01 -1.26 -1.22 120.40 127.10 1se9 s VAL 64 Ca 0.03 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 1se9 s VAL 64 Cb -0.13 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1se9 s VAL 64 CO 0.01 -0.60 1.04 -0.76 0.00 0.00 0.00 175.10 174.79 1se9 s LEU 65 N 3.86 4.39 -0.04 3.92 1.43 0.40 -5.00 118.68 127.64 1se9 s LEU 65 Ca 0.46 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 55.06 1se9 s LEU 65 Cb -0.11 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1se9 s LEU 65 CO 0.19 -0.29 1.01 -0.70 0.23 0.00 0.00 176.35 176.79 1se9 s GLU 66 N 0.80 4.49 0.47 1.70 2.56 -1.26 -4.65 118.70 122.82 1se9 s GLU 66 Ca 0.53 1.43 0.24 0.00 0.00 0.00 0.00 54.97 57.17 1se9 s GLU 66 Cb -0.24 -3.49 1.17 0.00 2.00 0.00 0.00 34.13 33.57 1se9 s GLU 66 CO 0.29 -0.18 1.96 -2.95 -0.56 0.00 0.00 175.26 173.81 1se9 h ASN 67 N 6.95 0.00 0.05 -1.70 -1.07 -1.95 -2.43 115.58 115.42 1se9 h ASN 67 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.00 1se9 h ASN 67 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1se9 h ASN 67 CO 0.80 0.20 0.00 -1.20 0.07 0.00 0.00 177.43 177.30 1se9 n SER 68 N -3.63 0.00 -4.70 6.14 7.64 -1.26 -1.82 113.62 115.99 1se9 n SER 68 Ca -0.01 -0.61 -0.24 0.00 1.01 0.00 0.00 58.87 59.02 1se9 n SER 68 Cb 0.33 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1se9 n SER 68 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1se9 s LYS 69 N -2.07 2.22 0.36 1.43 1.02 -0.92 -4.98 119.74 116.81 1se9 s LYS 69 Ca 0.31 -1.72 0.07 0.00 0.02 0.00 0.00 55.97 54.66 1se9 s LYS 69 Cb 0.15 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1se9 s LYS 69 CO 0.26 0.04 0.46 0.95 -0.92 0.00 0.00 175.35 176.14 1se9 s THR 70 N -2.52 3.57 0.35 2.17 -4.23 -1.26 -0.49 115.64 113.23 1se9 s THR 70 Ca 0.38 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1se9 s THR 70 Cb 0.01 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.84 1se9 s THR 70 CO 0.21 -0.11 1.96 0.58 -0.54 0.00 0.00 174.62 176.73 1se9 h VAL 71 N 0.90 1.17 -0.93 2.29 2.07 -0.91 -1.81 116.25 119.03 1se9 h VAL 71 Ca -0.44 -0.46 0.19 0.00 0.82 0.00 0.00 66.70 66.81 1se9 h VAL 71 Cb 1.26 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1se9 h VAL 71 CO 0.52 0.19 0.60 0.50 0.02 0.00 0.00 177.57 179.40 1se9 h LYS 72 N 0.70 0.56 0.00 1.57 1.63 -0.89 -0.77 116.57 119.36 1se9 h LYS 72 Ca 0.18 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1se9 h LYS 72 Cb 0.07 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1se9 h LYS 72 CO -0.02 0.37 -0.16 -0.44 -3.45 0.00 0.00 179.45 175.74 1se9 h ASP 73 N 0.58 0.00 0.01 4.20 3.32 -1.62 -2.24 116.42 120.67 1se9 h ASP 73 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1se9 h ASP 73 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1se9 h ASP 73 CO -0.24 0.16 -0.35 -1.22 -1.72 0.00 0.00 179.24 175.88 1se9 n TYR 74 N -4.20 0.00 -3.12 4.55 4.01 -0.32 -4.91 117.16 113.17 1se9 n TYR 74 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.35 1se9 n TYR 74 Cb 0.24 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1se9 n TYR 74 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1se9 s ARG 75 N -2.38 4.24 -0.11 -0.72 1.81 -0.84 -5.07 118.95 115.88 1se9 s ARG 75 Ca 0.22 0.84 -0.00 0.00 -1.72 0.00 0.00 55.73 55.07 1se9 s ARG 75 Cb 0.19 -2.91 -0.02 0.00 -0.45 0.00 0.00 34.95 31.76 1se9 s ARG 75 CO 0.51 0.41 -0.09 -1.12 -0.68 0.00 0.00 175.30 174.33 1se9 s SER 76 N -1.62 4.37 -0.34 0.23 0.01 -1.26 -5.00 113.70 110.09 1se9 s SER 76 Ca 0.42 -0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 1se9 s SER 76 Cb -0.17 -1.47 -0.08 0.00 0.21 0.00 0.00 66.02 64.51 1se9 s SER 76 CO 0.21 0.23 2.27 -0.81 0.41 0.00 0.00 173.24 175.55 1se9 n PRO 77 N 3.10 1.43 0.00 12.44 -0.04 -1.26 -4.71 135.00 145.95 1se9 n PRO 77 Ca -0.18 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1se9 n PRO 77 Cb 0.53 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1se9 n PRO 77 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1se9 n VAL 78 N 7.61 0.00 -3.64 0.52 0.31 -1.26 -5.14 118.33 116.73 1se9 n VAL 78 Ca 0.36 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.59 1se9 n VAL 78 Cb 0.37 -0.44 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1se9 s SER 79 N -1.30 -0.57 -0.45 4.52 0.01 -1.26 -5.12 113.70 109.52 1se9 s SER 79 Ca 0.00 1.09 0.02 0.00 1.31 0.00 0.00 55.95 58.38 1se9 s SER 79 Cb 0.00 1.12 0.12 0.00 0.21 0.00 0.00 66.02 67.47 1se9 s SER 79 CO 0.00 -0.19 0.20 0.20 0.41 0.00 0.00 173.24 173.86 1se9 s ASN 80 N 0.35 4.73 0.66 2.44 0.01 -1.26 -5.08 114.94 116.78 1se9 s ASN 80 Ca 0.01 -2.55 -0.04 0.00 -0.71 0.00 0.00 52.86 49.57 1se9 s ASN 80 Cb -0.05 -1.69 0.05 0.00 0.41 0.00 0.00 41.25 39.97 1se9 s ASN 80 CO -0.04 -0.35 0.94 -0.76 -1.51 0.00 0.00 177.10 175.38 1se9 s LEU 81 N 0.36 2.96 -0.78 0.60 2.01 -1.26 -4.97 118.68 117.60 1se9 s LEU 81 Ca 0.14 0.29 -0.15 0.00 0.01 0.00 0.00 54.13 54.41 1se9 s LEU 81 Cb -0.22 -3.00 0.19 0.00 0.01 0.00 0.00 46.19 43.17 1se9 s LEU 81 CO -0.04 -1.47 0.75 0.00 1.01 0.00 0.00 176.35 176.61 1se9 s ALA 82 N -3.10 3.94 0.00 4.21 0.00 -1.26 -3.89 121.76 121.66 1se9 s ALA 82 Ca 0.59 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1se9 s ALA 82 Cb -0.10 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1se9 s ALA 82 CO 0.43 -2.30 0.00 0.41 0.00 0.00 0.00 175.76 174.30 1se9 n GLY 83 N 4.34 1.92 3.64 0.00 0.00 -1.05 -4.98 105.19 109.05 1se9 n GLY 83 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.42 -0.20 4.61 0.00 -1.25 -4.75 121.76 121.59 1se9 s ALA 84 Ca 0.00 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 1se9 s ALA 84 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1se9 s ALA 84 CO 0.00 -1.66 0.74 0.08 0.00 0.00 0.00 175.76 174.92 1se9 s VAL 85 N 4.18 4.93 -0.26 0.00 1.01 -1.25 -0.35 120.40 128.65 1se9 s VAL 85 Ca 0.55 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.89 1se9 s VAL 85 Cb -0.17 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1se9 s VAL 85 CO 0.21 0.04 0.03 -0.89 0.00 0.00 0.00 175.10 174.48 1se9 s THR 86 N 2.24 3.69 -0.31 3.92 2.01 0.18 -4.94 115.64 122.44 1se9 s THR 86 Ca 0.33 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1se9 s THR 86 Cb -0.16 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1se9 s THR 86 CO 0.10 0.22 0.35 -0.89 -0.69 0.00 0.00 174.62 173.72 1se9 s THR 87 N 1.48 5.18 -0.20 -0.82 2.01 -1.26 -1.24 115.64 120.80 1se9 s THR 87 Ca 0.04 0.27 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 1se9 s THR 87 Cb -0.16 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1se9 s THR 87 CO 0.00 0.03 0.11 -0.04 -0.69 0.00 0.00 174.62 174.04 1se9 s MET 88 N 2.02 4.12 -0.19 4.92 -1.94 -0.46 -4.78 119.30 122.99 1se9 s MET 88 Ca 0.13 -0.26 -0.22 0.00 -1.71 0.00 0.00 55.69 53.62 1se9 s MET 88 Cb -0.16 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1se9 s MET 88 CO 0.11 0.28 0.70 -1.01 -0.01 0.00 0.00 175.02 175.09 1se9 s HIS 89 N 0.40 3.39 -0.25 -0.03 3.76 0.49 -0.22 115.29 122.83 1se9 s HIS 89 Ca 0.06 1.04 -0.08 0.00 -0.15 0.00 0.00 55.06 55.94 1se9 s HIS 89 Cb -0.12 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 1se9 s HIS 89 CO -0.01 -0.20 0.08 0.08 -0.85 0.00 0.00 174.74 173.84 1se9 s VAL 90 N 2.02 4.46 -0.23 -0.90 1.01 0.12 -0.19 120.40 126.69 1se9 s VAL 90 Ca 0.32 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1se9 s VAL 90 Cb -0.16 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1se9 s VAL 90 CO 0.11 0.34 0.15 -0.63 0.00 0.00 0.00 175.10 175.07 1se9 s ILE 91 N 1.54 5.35 -0.16 2.22 -1.09 -0.67 -1.23 121.20 127.16 1se9 s ILE 91 Ca 0.06 0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.61 1se9 s ILE 91 Cb -0.15 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1se9 s ILE 91 CO 0.04 0.37 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.49 1se9 s ILE 92 N 0.91 4.23 -0.01 2.92 -1.09 -1.26 -1.66 121.20 125.24 1se9 s ILE 92 Ca 0.08 -0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 1se9 s ILE 92 Cb -0.13 -2.87 -0.06 0.00 -1.58 0.00 0.00 42.46 37.83 1se9 s ILE 92 CO 0.03 0.49 0.39 -1.10 -1.23 0.00 0.00 174.94 173.52 1se9 s GLN 93 N 0.28 3.88 -0.04 2.79 1.11 -0.14 -5.02 119.66 122.52 1se9 s GLN 93 Ca -0.01 0.37 -0.30 0.00 0.01 0.00 0.00 55.36 55.44 1se9 s GLN 93 Cb -0.13 -3.22 -0.07 0.00 -1.01 0.00 0.00 33.01 28.58 1se9 s GLN 93 CO 0.02 0.70 1.90 0.00 0.01 0.00 0.00 175.29 177.92 1se9 s ALA 94 N -1.08 3.44 0.76 6.09 0.00 -1.26 -4.82 121.76 124.90 1se9 s ALA 94 Ca 0.23 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 1se9 s ALA 94 Cb -0.16 -3.86 0.06 0.00 0.00 0.00 0.00 23.12 19.16 1se9 s ALA 94 CO 0.13 -1.74 1.15 -2.14 0.00 0.00 0.00 175.76 173.16 1se9 s PRO 95 N 4.65 2.05 -0.83 0.00 0.02 -1.26 -4.91 135.00 134.72 1se9 s PRO 95 Ca 0.85 1.54 -0.25 0.00 0.02 0.00 0.00 61.00 63.16 1se9 s PRO 95 Cb -0.38 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.32 1se9 s PRO 95 CO 0.37 -1.86 1.47 0.08 -0.33 0.00 0.00 177.00 176.73 1se9 s VAL 96 N -2.36 3.71 -0.35 3.83 1.01 -1.26 -4.93 120.40 120.05 1se9 s VAL 96 Ca 0.69 -0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 1se9 s VAL 96 Cb -0.24 -4.76 -0.02 0.00 0.00 0.00 0.00 36.38 31.36 1se9 s VAL 96 CO 0.49 -1.68 1.80 -0.89 0.00 0.00 0.00 175.10 174.82 1se9 s THR 97 N 6.31 3.47 -0.06 3.92 2.01 -1.26 -4.94 115.64 125.09 1se9 s THR 97 Ca 0.46 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.90 1se9 s THR 97 Cb -0.06 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.82 1se9 s THR 97 CO 0.06 -0.45 0.12 -0.70 -0.69 0.00 0.00 174.62 172.97 1se9 s GLU 98 N 5.78 0.06 -0.12 4.92 2.12 -1.26 -4.97 118.70 125.23 1se9 s GLU 98 Ca 0.79 0.34 -0.07 0.00 0.36 0.00 0.00 54.97 56.39 1se9 s GLU 98 Cb -0.22 -0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.00 1se9 s GLU 98 CO 0.33 -0.17 0.14 1.17 -0.54 0.00 0.00 175.26 176.18 1se9 n LYS 99 N 4.24 -2.67 -2.62 4.30 4.81 -1.26 -4.91 118.16 120.05 1se9 n LYS 99 Ca -0.26 2.22 -0.42 0.00 -0.87 0.00 0.00 58.31 58.98 1se9 n LYS 99 Cb 0.51 -3.44 -0.03 0.00 0.02 0.00 0.00 35.03 32.10 1se9 n LYS 99 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1se9 s GLU 100 N -0.82 3.43 0.00 1.64 2.12 -1.26 -5.07 118.70 118.73 1se9 s GLU 100 Ca -0.16 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1se9 s GLU 100 Cb 0.01 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.35 1se9 s GLU 100 CO 0.47 -1.73 0.00 1.63 -0.54 0.00 0.00 175.26 175.10