#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 0.47 -0.28 -1.84 0.00 -1.26 -5.13 121.76 113.72 1se9 s ALA 2 Ca 0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 1se9 s ALA 2 Cb 0.00 1.18 0.17 0.00 0.00 0.00 0.00 23.12 24.47 1se9 s ALA 2 CO 0.00 -0.77 0.50 -2.00 0.00 0.00 0.00 175.76 173.50 1se9 s GLU 3 N -3.73 0.48 -0.03 0.00 -6.30 -1.26 -5.14 118.70 102.73 1se9 s GLU 3 Ca 0.29 0.67 -0.30 0.00 -2.50 0.00 0.00 54.97 53.13 1se9 s GLU 3 Cb 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 34.13 34.18 1se9 s GLU 3 CO 0.14 -0.75 1.12 0.54 0.02 0.00 0.00 175.26 176.33 1se9 s VAL 4 N 2.71 4.41 0.29 3.70 0.11 -1.26 -5.03 120.40 125.34 1se9 s VAL 4 Ca 0.15 1.72 0.09 0.00 -2.93 0.00 0.00 61.98 61.01 1se9 s VAL 4 Cb -0.14 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 1se9 s VAL 4 CO -0.21 0.06 0.04 -1.00 -3.33 0.00 0.00 175.10 170.66 1se9 s HIS 5 N 1.67 2.70 -0.97 1.54 3.76 -1.26 -5.03 115.29 117.70 1se9 s HIS 5 Ca 0.54 -0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.94 1se9 s HIS 5 Cb -0.24 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1se9 s HIS 5 CO 0.24 0.53 1.67 1.21 -0.85 0.00 0.00 174.74 177.54 1se9 s ASN 6 N -3.73 5.89 0.40 1.40 2.47 -1.26 -4.94 114.94 115.17 1se9 s ASN 6 Ca 0.33 -1.10 -0.02 0.00 0.42 0.00 0.00 52.86 52.49 1se9 s ASN 6 Cb -0.05 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.15 1se9 s ASN 6 CO 0.21 -2.06 0.64 -1.10 -3.72 0.00 0.00 177.10 171.07 1se9 s GLN 7 N 5.89 3.50 -0.22 0.43 -0.21 -1.26 -4.87 119.66 122.91 1se9 s GLN 7 Ca 0.57 -0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.68 1se9 s GLN 7 Cb -0.03 -2.55 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 1se9 s GLN 7 CO -0.06 0.01 0.25 -0.51 -2.12 0.00 0.00 175.29 172.86 1se9 s LEU 8 N -4.48 4.14 -0.16 2.90 1.02 0.77 -4.54 118.68 118.33 1se9 s LEU 8 Ca 0.43 0.28 -0.18 0.00 0.02 0.00 0.00 54.13 54.67 1se9 s LEU 8 Cb -0.10 -2.26 -0.04 0.00 0.02 0.00 0.00 46.19 43.82 1se9 s LEU 8 CO 0.39 0.02 0.51 -1.61 0.02 0.00 0.00 176.35 175.68 1se9 s GLU 9 N 1.08 4.27 0.01 1.70 2.02 -1.25 0.41 118.70 126.92 1se9 s GLU 9 Ca 0.12 0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.63 1se9 s GLU 9 Cb -0.14 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 1se9 s GLU 9 CO 0.05 -0.01 -0.22 0.42 0.02 0.00 0.00 175.26 175.52 1se9 s ILE 10 N 1.16 1.77 0.13 -1.63 1.01 0.10 -0.20 121.20 123.54 1se9 s ILE 10 Ca 0.25 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1se9 s ILE 10 Cb -0.15 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1se9 s ILE 10 CO 0.10 0.40 -0.17 -1.59 0.00 0.00 0.00 174.94 173.68 1se9 s LYS 11 N -0.78 1.12 -0.26 2.79 -2.85 0.57 -0.75 119.74 119.59 1se9 s LYS 11 Ca 0.09 -1.27 -0.10 0.00 -1.00 0.00 0.00 55.97 53.69 1se9 s LYS 11 Cb -0.09 -1.16 -0.04 0.00 -2.06 0.00 0.00 37.83 34.48 1se9 s LYS 11 CO 0.00 0.24 0.15 -0.06 0.10 0.00 0.00 175.35 175.78 1se9 s PHE 12 N -1.83 3.21 -0.17 1.78 0.08 -1.23 -1.20 117.98 118.62 1se9 s PHE 12 Ca 0.10 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.18 1se9 s PHE 12 Cb -0.07 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1se9 s PHE 12 CO 0.05 -0.14 -0.20 0.50 -0.10 0.00 0.00 175.22 175.33 1se9 s ARG 13 N 1.49 2.93 1.00 0.44 3.52 0.41 -0.46 118.95 128.29 1se9 s ARG 13 Ca 0.07 -0.81 -0.11 0.00 -0.13 0.00 0.00 55.73 54.74 1se9 s ARG 13 Cb -0.15 -2.51 0.19 0.00 -1.56 0.00 0.00 34.95 30.92 1se9 s ARG 13 CO 0.07 -0.18 1.09 -0.51 -0.81 0.00 0.00 175.30 174.96 1se9 s LEU 14 N 1.24 1.99 0.25 -0.88 1.43 0.15 0.33 118.68 123.18 1se9 s LEU 14 Ca 0.03 1.80 0.24 0.00 -1.03 0.00 0.00 54.13 55.17 1se9 s LEU 14 Cb -0.13 -4.02 0.95 0.00 0.03 0.00 0.00 46.19 43.02 1se9 s LEU 14 CO -0.11 -3.40 1.73 1.07 0.23 0.00 0.00 176.35 175.87 1se9 n THR 15 N -4.40 0.78 1.06 5.49 5.66 0.02 -0.87 114.28 122.01 1se9 n THR 15 Ca 0.08 0.13 0.14 0.00 -3.05 0.00 0.00 64.05 61.34 1se9 n THR 15 Cb 0.53 -1.05 0.63 0.00 -1.55 0.00 0.00 70.33 68.90 1se9 n THR 15 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1se9 n ASP 16 N -2.24 0.00 0.00 1.09 9.92 -1.26 -4.88 116.55 119.17 1se9 n ASP 16 Ca 0.03 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 1se9 n ASP 16 Cb 0.27 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1se9 n GLY 17 N 1.35 0.73 3.70 0.44 0.00 -0.05 -5.05 105.19 106.31 1se9 n GLY 17 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.70 6.82 0.25 1.61 0.01 -1.25 -4.81 113.70 113.63 1se9 s SER 18 Ca 0.00 0.99 0.11 0.00 1.31 0.00 0.00 55.95 58.36 1se9 s SER 18 Cb 0.00 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.83 1se9 s SER 18 CO 0.00 -0.12 -0.17 1.51 0.41 0.00 0.00 173.24 174.87 1se9 s ASP 19 N 0.83 3.75 -0.06 2.44 -4.77 -1.26 0.31 116.67 117.92 1se9 s ASP 19 Ca 0.32 -0.90 -0.01 0.00 -3.30 0.00 0.00 52.55 48.66 1se9 s ASP 19 Cb -0.16 -0.41 -0.03 0.00 -1.09 0.00 0.00 42.92 41.23 1se9 s ASP 19 CO 0.14 0.06 -0.01 -0.63 0.70 0.00 0.00 175.17 175.42 1se9 s ILE 20 N -2.23 4.18 0.37 2.11 1.01 0.39 -4.98 121.20 122.05 1se9 s ILE 20 Ca 0.28 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 1se9 s ILE 20 Cb -0.06 -2.78 -0.12 0.00 0.01 0.00 0.00 42.46 39.51 1se9 s ILE 20 CO 0.15 0.55 0.93 0.61 0.00 0.00 0.00 174.94 177.17 1se9 n GLY 21 N 1.96 -0.46 3.77 6.18 0.00 -1.26 -3.54 105.19 111.84 1se9 n GLY 21 Ca -0.17 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.77 3.71 0.29 1.61 0.04 -1.26 -4.71 135.00 132.90 1se9 s PRO 22 Ca 0.62 1.80 0.08 0.00 0.04 0.00 0.00 61.00 63.54 1se9 s PRO 22 Cb -0.62 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 1se9 s PRO 22 CO 0.58 -0.60 -0.09 0.15 0.04 0.00 0.00 177.00 177.08 1se9 s LYS 23 N -2.72 1.61 -0.25 4.56 3.01 0.07 -4.90 119.74 121.12 1se9 s LYS 23 Ca 0.64 -1.80 -0.13 0.00 -1.01 0.00 0.00 55.97 53.68 1se9 s LYS 23 Cb -0.29 -1.34 -0.05 0.00 -1.01 0.00 0.00 37.83 35.14 1se9 s LYS 23 CO 0.35 0.11 0.26 0.00 0.51 0.00 0.00 175.35 176.58 1se9 s ALA 24 N -2.86 3.57 -0.14 5.17 0.00 -1.26 -0.72 121.76 125.52 1se9 s ALA 24 Ca 0.30 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1se9 s ALA 24 Cb 0.02 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1se9 s ALA 24 CO 0.13 -0.42 -0.22 -0.06 0.00 0.00 0.00 175.76 175.19 1se9 s PHE 25 N 1.54 2.64 0.58 0.00 0.40 0.17 -4.88 117.98 118.43 1se9 s PHE 25 Ca 0.11 -1.32 -0.20 0.00 -0.60 0.00 0.00 56.93 54.93 1se9 s PHE 25 Cb -0.15 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1se9 s PHE 25 CO 0.08 -0.60 1.24 -2.14 0.70 0.00 0.00 175.22 174.50 1se9 s PRO 26 N 0.80 3.02 0.52 0.24 0.02 -1.26 -0.16 135.00 138.17 1se9 s PRO 26 Ca -0.08 1.93 0.19 0.00 0.02 0.00 0.00 61.00 63.06 1se9 s PRO 26 Cb -0.16 -2.02 1.30 0.00 0.02 0.00 0.00 34.50 33.64 1se9 s PRO 26 CO -0.01 -1.20 2.08 -0.44 -0.33 0.00 0.00 177.00 177.10 1se9 h ASP 27 N 1.05 0.03 -0.00 2.53 3.32 -1.93 -0.51 116.42 120.90 1se9 h ASP 27 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1se9 h ASP 27 Cb 1.30 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1se9 h ASP 27 CO 0.56 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 1se9 n ALA 28 N -2.58 2.65 -2.03 3.45 0.00 -1.26 -0.25 120.51 120.50 1se9 n ALA 28 Ca 0.03 -0.19 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 1se9 n ALA 28 Cb 0.31 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.00 4.41 0.60 0.00 2.01 -0.20 -4.86 115.64 115.61 1se9 s THR 29 Ca 0.40 1.66 -0.07 0.00 0.31 0.00 0.00 61.69 63.99 1se9 s THR 29 Cb 0.19 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 1se9 s THR 29 CO 0.31 0.52 0.94 0.42 -0.69 0.00 0.00 174.62 176.12 1se9 s THR 30 N -1.09 3.95 0.32 -0.82 -4.23 -1.26 -0.54 115.64 111.97 1se9 s THR 30 Ca 0.35 0.23 0.22 0.00 -1.18 0.00 0.00 61.69 61.31 1se9 s THR 30 Cb -0.23 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.25 1se9 s THR 30 CO 0.26 -0.64 1.91 0.58 -0.54 0.00 0.00 174.62 176.19 1se9 h VAL 31 N -0.22 0.79 -0.02 2.29 2.07 -1.21 -0.99 116.25 118.96 1se9 h VAL 31 Ca -0.45 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1se9 h VAL 31 Cb 1.24 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1se9 h VAL 31 CO 0.62 0.24 0.01 -1.28 0.02 0.00 0.00 177.57 177.18 1se9 h SER 32 N 0.00 0.03 0.71 0.57 0.87 -1.52 0.72 113.55 114.93 1se9 h SER 32 Ca -0.00 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 1se9 h SER 32 Cb 0.57 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1se9 h SER 32 CO 0.03 0.03 -0.41 0.00 -0.53 0.00 0.00 176.83 175.95 1se9 h ALA 33 N 0.99 1.05 -0.26 6.23 0.00 -1.75 -0.81 119.26 124.71 1se9 h ALA 33 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1se9 h ALA 33 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1se9 h ALA 33 CO -0.00 0.52 0.07 1.25 0.00 0.00 0.00 179.25 181.09 1se9 h LEU 34 N 0.00 0.39 -0.66 0.00 5.85 -0.77 -1.34 115.31 118.78 1se9 h LEU 34 Ca -0.00 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 1se9 h LEU 34 Cb 0.88 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1se9 h LEU 34 CO 0.05 0.51 -0.16 0.11 -0.34 0.00 0.00 178.44 178.61 1se9 h LYS 35 N 0.26 0.88 -0.57 1.25 1.57 -0.54 -2.16 116.57 117.26 1se9 h LYS 35 Ca 0.08 -0.33 0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1se9 h LYS 35 Cb 0.26 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1se9 h LYS 35 CO -0.00 0.97 0.38 0.93 -0.57 0.00 0.00 179.45 181.17 1se9 h GLU 36 N 0.78 0.38 -0.08 3.15 4.39 -0.88 -0.86 114.58 121.45 1se9 h GLU 36 Ca 0.12 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1se9 h GLU 36 Cb 0.69 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1se9 h GLU 36 CO 0.05 0.25 -0.25 1.15 -1.16 0.00 0.00 179.01 179.06 1se9 h THR 37 N 0.39 1.41 -0.77 1.13 2.02 -0.84 -2.84 112.91 113.42 1se9 h THR 37 Ca 0.26 -1.60 -0.05 0.00 0.77 0.00 0.00 66.41 65.79 1se9 h THR 37 Cb 0.51 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1se9 h THR 37 CO -0.07 0.46 0.27 1.62 0.37 0.00 0.00 175.52 178.17 1se9 h VAL 38 N -0.17 1.26 -0.36 3.16 3.04 -0.65 0.38 116.25 122.92 1se9 h VAL 38 Ca -0.01 -0.87 -0.05 0.00 -1.01 0.00 0.00 66.70 64.77 1se9 h VAL 38 Cb 0.87 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 1se9 h VAL 38 CO 0.05 0.35 0.00 0.40 -1.01 0.00 0.00 177.57 177.36 1se9 h ILE 39 N 1.12 1.20 -0.00 3.17 2.04 -1.29 -0.62 117.51 123.14 1se9 h ILE 39 Ca 0.25 -0.81 -0.20 0.00 1.00 0.00 0.00 64.86 65.10 1se9 h ILE 39 Cb 0.26 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1se9 h ILE 39 CO -0.01 0.28 -0.89 0.28 0.00 0.00 0.00 178.15 177.81 1se9 h SER 40 N 0.53 0.35 0.91 1.72 0.02 -1.10 -3.18 113.55 112.80 1se9 h SER 40 Ca 0.11 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1se9 h SER 40 Cb 0.34 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1se9 h SER 40 CO 0.01 1.07 -0.39 -0.33 -1.14 0.00 0.00 176.83 176.06 1se9 h GLU 41 N 0.15 0.00 -5.68 3.45 4.39 -0.36 -3.41 114.58 113.12 1se9 h GLU 41 Ca -0.05 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.04 1se9 h GLU 41 Cb 1.51 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.05 1se9 h GLU 41 CO 0.14 0.39 0.31 -0.46 -1.16 0.00 0.00 179.01 178.23 1se9 s TRP 42 N -3.54 3.20 0.08 4.33 -0.11 -0.29 -5.00 118.94 117.61 1se9 s TRP 42 Ca 0.00 0.73 -0.31 0.00 1.22 0.00 0.00 56.10 57.75 1se9 s TRP 42 Cb 0.11 -3.15 -0.09 0.00 -1.50 0.00 0.00 33.47 28.84 1se9 s TRP 42 CO 0.69 -0.54 1.82 -2.14 -4.62 0.00 0.00 176.95 172.17 1se9 s PRO 43 N 2.84 4.15 0.55 5.86 0.02 -1.26 -4.84 135.00 142.32 1se9 s PRO 43 Ca 0.30 2.53 0.33 0.00 0.02 0.00 0.00 61.00 64.18 1se9 s PRO 43 Cb -0.14 -3.78 1.46 0.00 0.02 0.00 0.00 34.50 32.06 1se9 s PRO 43 CO 0.12 -0.86 2.02 0.07 -0.33 0.00 0.00 177.00 178.03 1se9 h ARG 44 N 9.17 0.00 0.00 5.54 -0.00 -1.88 -1.29 114.38 125.92 1se9 h ARG 44 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 1se9 h ARG 44 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1se9 h ARG 44 CO 0.94 0.04 0.00 0.39 -0.00 0.00 0.00 179.97 181.35 1se9 n GLU 45 N -3.19 0.04 -0.69 0.08 4.71 -1.26 -4.74 120.64 115.60 1se9 n GLU 45 Ca -0.00 0.33 -0.12 0.00 -0.01 0.00 0.00 57.16 57.36 1se9 n GLU 45 Cb 0.28 -1.59 0.09 0.00 -1.01 0.00 0.00 31.44 29.21 1se9 n GLU 45 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1se9 n LYS 46 N -1.68 -0.88 -0.75 3.49 3.00 -0.49 -5.01 118.16 115.84 1se9 n LYS 46 Ca 0.03 -0.81 -0.32 0.00 -0.00 0.00 0.00 58.31 57.21 1se9 n LYS 46 Cb 0.15 -0.59 0.16 0.00 0.00 0.00 0.00 35.03 34.75 1se9 n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1se9 n GLU 47 N -2.34 -0.35 -0.23 1.64 1.02 -1.26 -4.81 120.64 114.31 1se9 n GLU 47 Ca 0.07 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1se9 n GLU 47 Cb 0.24 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 1se9 n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1se9 n ASN 48 N -3.64 2.65 0.00 1.62 3.02 -1.26 -4.53 115.26 113.11 1se9 n ASN 48 Ca 0.11 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 1se9 n ASN 48 Cb 0.52 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1se9 n GLY 49 N 1.62 1.36 3.68 7.41 0.00 -1.26 -4.86 105.19 113.13 1se9 n GLY 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1se9 n GLY 49 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1se9 s PRO 50 N 0.19 4.15 0.00 1.61 0.02 -1.26 -4.75 135.00 134.95 1se9 s PRO 50 Ca 0.00 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1se9 s PRO 50 Cb 0.00 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.82 1se9 s PRO 50 CO 0.00 -0.84 0.00 0.36 -0.33 0.00 0.00 177.00 176.19 1se9 n LYS 51 N 6.01 3.16 -4.39 5.54 2.85 -1.26 -4.84 118.16 125.23 1se9 n LYS 51 Ca 0.18 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.24 1se9 n LYS 51 Cb 0.39 -0.28 -0.10 0.00 -0.65 0.00 0.00 35.03 34.40 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1se9 s THR 52 N -0.06 0.72 0.37 0.58 -4.23 -1.26 -5.03 115.64 106.73 1se9 s THR 52 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1se9 s THR 52 Cb 0.00 -2.62 0.16 0.00 1.34 0.00 0.00 72.50 71.38 1se9 s THR 52 CO 0.00 0.00 1.91 1.62 -0.54 0.00 0.00 174.62 177.61 1se9 h VAL 53 N 2.18 1.03 -0.51 2.29 3.04 -1.93 -2.91 116.25 119.44 1se9 h VAL 53 Ca -0.38 -1.00 0.05 0.00 -1.01 0.00 0.00 66.70 64.36 1se9 h VAL 53 Cb 1.25 1.56 -0.03 0.00 -2.01 0.00 0.00 31.29 32.07 1se9 h VAL 53 CO 0.61 0.27 0.34 0.50 -1.01 0.00 0.00 177.57 178.28 1se9 h LYS 54 N 0.00 0.50 0.00 4.17 3.64 -1.96 -3.08 116.57 119.84 1se9 h LYS 54 Ca -0.00 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.05 1se9 h LYS 54 Cb 0.54 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1se9 h LYS 54 CO 0.04 0.33 -1.80 0.39 -2.27 0.00 0.00 179.45 176.14 1se9 n GLU 55 N -4.47 0.64 -3.31 1.90 1.02 -1.10 -4.83 120.64 110.48 1se9 n GLU 55 Ca 0.06 0.25 -0.40 0.00 -0.02 0.00 0.00 57.16 57.05 1se9 n GLU 55 Cb 0.19 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1se9 s VAL 56 N -2.60 5.10 -0.02 2.62 1.01 -1.16 -0.32 120.40 125.02 1se9 s VAL 56 Ca -0.05 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 1se9 s VAL 56 Cb 0.08 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1se9 s VAL 56 CO 0.83 -0.04 0.39 -0.54 0.00 0.00 0.00 175.10 175.74 1se9 s LYS 57 N 2.22 3.95 -0.23 2.72 1.02 -0.21 -4.93 119.74 124.27 1se9 s LYS 57 Ca 0.17 0.37 -0.05 0.00 0.02 0.00 0.00 55.97 56.47 1se9 s LYS 57 Cb -0.16 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1se9 s LYS 57 CO 0.11 0.63 0.00 -1.17 -0.92 0.00 0.00 175.35 174.00 1se9 s LEU 58 N -0.85 3.12 -0.02 3.17 1.98 -1.26 -3.18 118.68 121.64 1se9 s LEU 58 Ca 0.23 -0.31 0.02 0.00 -2.89 0.00 0.00 54.13 51.18 1se9 s LEU 58 Cb -0.16 -1.81 0.01 0.00 0.66 0.00 0.00 46.19 44.88 1se9 s LEU 58 CO 0.12 -0.02 -0.07 -0.63 -1.89 0.00 0.00 176.35 173.87 1se9 s ILE 59 N 1.48 0.60 -0.27 6.68 1.01 -0.79 -1.62 121.20 128.28 1se9 s ILE 59 Ca 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1se9 s ILE 59 Cb -0.15 -0.55 0.06 0.00 0.01 0.00 0.00 42.46 41.84 1se9 s ILE 59 CO -0.00 0.20 -0.08 -0.94 0.00 0.00 0.00 174.94 174.12 1se9 s SER 60 N 0.29 4.56 -2.06 3.58 1.04 0.09 -0.35 113.70 120.85 1se9 s SER 60 Ca -0.04 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 54.99 1se9 s SER 60 Cb -0.08 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1se9 s SER 60 CO 0.00 -0.21 0.00 0.00 0.98 0.00 0.00 173.24 174.01 1se9 n ALA 61 N 4.47 -0.30 0.00 5.32 0.00 -1.26 -1.35 120.51 127.39 1se9 n ALA 61 Ca -0.13 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1se9 n ALA 61 Cb 0.42 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.36 1.11 3.36 0.00 0.00 -1.26 -5.09 105.19 102.95 1se9 n GLY 62 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.67 3.37 -0.16 1.61 1.02 -0.46 -5.09 119.74 119.36 1se9 s LYS 63 Ca 0.00 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.09 1se9 s LYS 63 Cb 0.00 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1se9 s LYS 63 CO 0.00 0.20 0.63 0.08 -0.92 0.00 0.00 175.35 175.34 1se9 s VAL 64 N 0.38 5.05 -0.08 3.17 1.01 -1.26 -0.73 120.40 127.92 1se9 s VAL 64 Ca -0.11 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 1se9 s VAL 64 Cb -0.16 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1se9 s VAL 64 CO 0.06 0.17 0.31 -0.76 0.00 0.00 0.00 175.10 174.88 1se9 s LEU 65 N 1.49 4.37 0.18 3.92 2.01 -0.64 -5.00 118.68 125.01 1se9 s LEU 65 Ca 0.30 0.70 -0.10 0.00 0.01 0.00 0.00 54.13 55.04 1se9 s LEU 65 Cb -0.16 -2.41 -0.07 0.00 0.01 0.00 0.00 46.19 43.57 1se9 s LEU 65 CO 0.12 0.25 0.51 -0.70 1.01 0.00 0.00 176.35 177.54 1se9 s GLU 66 N -0.48 3.82 0.44 1.70 2.56 -1.26 -4.68 118.70 120.80 1se9 s GLU 66 Ca 0.19 0.27 0.10 0.00 0.00 0.00 0.00 54.97 55.53 1se9 s GLU 66 Cb -0.14 -2.79 0.99 0.00 2.00 0.00 0.00 34.13 34.18 1se9 s GLU 66 CO 0.08 0.41 2.07 -0.91 -0.56 0.00 0.00 175.26 176.35 1se9 h ASN 67 N 3.00 0.34 0.73 -1.70 4.21 -1.98 -3.09 115.58 117.08 1se9 h ASN 67 Ca -0.47 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.00 1se9 h ASN 67 Cb 1.18 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1se9 h ASN 67 CO 0.68 0.24 -0.14 0.77 -1.29 0.00 0.00 177.43 177.69 1se9 h SER 68 N 0.40 0.00 -2.64 5.81 4.64 -1.94 -1.58 113.55 118.24 1se9 h SER 68 Ca 0.13 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.99 1se9 h SER 68 Cb 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1se9 h SER 68 CO -0.03 0.14 -0.11 -0.54 -0.87 0.00 0.00 176.83 175.42 1se9 s LYS 69 N -3.84 3.02 0.29 4.77 1.02 -1.17 -4.91 119.74 118.92 1se9 s LYS 69 Ca -0.01 -0.56 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1se9 s LYS 69 Cb 0.11 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1se9 s LYS 69 CO 0.59 -0.28 0.42 0.99 -0.92 0.00 0.00 175.35 176.15 1se9 s THR 70 N -2.54 4.61 0.29 2.17 2.01 -1.26 -1.33 115.64 119.59 1se9 s THR 70 Ca 0.49 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1se9 s THR 70 Cb -0.10 -3.62 0.26 0.00 0.01 0.00 0.00 72.50 69.06 1se9 s THR 70 CO 0.37 -0.24 1.96 0.58 -0.69 0.00 0.00 174.62 176.60 1se9 h VAL 71 N 1.01 1.21 -0.94 3.82 2.07 -0.67 -0.61 116.25 122.14 1se9 h VAL 71 Ca -0.49 -0.40 0.20 0.00 0.82 0.00 0.00 66.70 66.84 1se9 h VAL 71 Cb 1.24 -0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1se9 h VAL 71 CO 0.57 0.21 0.61 0.50 0.02 0.00 0.00 177.57 179.47 1se9 h LYS 72 N 1.15 0.49 0.00 1.57 3.11 -0.86 0.66 116.57 122.70 1se9 h LYS 72 Ca 0.32 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.07 1se9 h LYS 72 Cb -0.11 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.00 1se9 h LYS 72 CO -0.07 0.33 -0.31 -0.44 -2.81 0.00 0.00 179.45 176.15 1se9 h ASP 73 N 0.51 0.00 -0.02 4.20 3.32 -1.39 -3.12 116.42 119.93 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 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1se9 h ASP 73 CO -0.23 0.31 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.33 1se9 n TYR 74 N -3.30 0.00 -2.01 4.55 4.01 -0.60 -5.01 117.16 114.81 1se9 n TYR 74 Ca 0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.35 1se9 n TYR 74 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.58 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 -1.22 4.01 -0.17 -0.72 1.70 0.13 -4.99 118.95 117.68 1se9 s ARG 75 Ca 0.15 2.24 -0.18 0.00 -0.47 0.00 0.00 55.73 57.47 1se9 s ARG 75 Cb 0.11 -2.81 -0.04 0.00 -0.57 0.00 0.00 34.95 31.64 1se9 s ARG 75 CO 0.20 -0.49 0.50 -1.12 -1.08 0.00 0.00 175.30 173.30 1se9 s SER 76 N -0.61 6.61 0.88 -2.89 0.01 -1.26 -5.04 113.70 111.38 1se9 s SER 76 Ca 0.56 0.72 -0.09 0.00 1.31 0.00 0.00 55.95 58.45 1se9 s SER 76 Cb -0.40 -2.29 0.19 0.00 0.21 0.00 0.00 66.02 63.73 1se9 s SER 76 CO 0.52 -0.10 1.18 -0.81 0.41 0.00 0.00 173.24 174.44 1se9 n PRO 77 N 4.33 -0.74 -2.99 12.44 -0.04 -1.26 -4.10 135.00 142.63 1se9 n PRO 77 Ca -0.06 -2.39 -0.02 0.00 -0.04 0.00 0.00 63.50 60.99 1se9 n PRO 77 Cb 0.51 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1se9 n PRO 77 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1se9 n VAL 78 N -3.39 -6.75 -2.40 0.52 3.14 -1.26 -3.92 118.33 104.27 1se9 n VAL 78 Ca 0.17 1.08 -0.12 0.00 -2.96 0.00 0.00 64.34 62.50 1se9 n VAL 78 Cb 0.59 -4.88 -0.01 0.00 -1.06 0.00 0.00 33.84 28.48 1se9 n VAL 78 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1se9 n SER 79 N 0.91 -3.92 -0.03 6.55 7.64 -1.26 -4.83 113.62 118.67 1se9 n SER 79 Ca 0.00 0.20 -0.03 0.00 1.01 0.00 0.00 58.87 60.04 1se9 n SER 79 Cb 0.29 -3.34 -0.01 0.00 -1.01 0.00 0.00 64.21 60.14 1se9 n SER 79 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1se9 n ASN 80 N -1.76 0.77 -4.35 6.43 2.85 -1.25 -5.02 115.26 112.93 1se9 n ASN 80 Ca -0.15 0.22 -0.21 0.00 -0.11 0.00 0.00 54.58 54.33 1se9 n ASN 80 Cb 0.61 -0.61 0.11 0.00 1.24 0.00 0.00 39.78 41.12 1se9 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1se9 n LEU 81 N -3.27 0.00 -2.49 1.20 4.77 -1.26 -4.65 117.00 111.30 1se9 n LEU 81 Ca -0.05 -1.95 -0.01 0.00 -0.03 0.00 0.00 56.01 53.98 1se9 n LEU 81 Cb 0.18 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1se9 n LEU 81 CO 0.07 -0.94 -0.43 0.00 -1.33 0.00 0.00 177.39 174.76 1se9 n ALA 82 N -2.90 -3.44 0.00 -1.18 0.00 -1.26 -4.68 120.51 107.05 1se9 n ALA 82 Ca -0.15 0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1se9 n ALA 82 Cb 0.54 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1se9 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1se9 n GLY 83 N 0.69 3.74 3.90 0.00 0.00 -1.26 -5.07 105.19 107.19 1se9 n GLY 83 Ca -0.05 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 3.56 0.02 4.61 0.00 -1.26 -5.00 121.76 123.69 1se9 s ALA 84 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 1se9 s ALA 84 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.68 1se9 s ALA 84 CO 0.00 0.16 0.76 0.08 0.00 0.00 0.00 175.76 176.76 1se9 s VAL 85 N -2.17 4.81 -0.27 0.00 1.01 -1.26 -4.42 120.40 118.10 1se9 s VAL 85 Ca 0.45 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.93 1se9 s VAL 85 Cb -0.11 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1se9 s VAL 85 CO 0.31 0.33 0.17 -0.89 0.00 0.00 0.00 175.10 175.02 1se9 s THR 86 N 0.18 5.19 -0.29 3.92 2.01 0.72 -4.98 115.64 122.39 1se9 s THR 86 Ca 0.39 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 62.42 1se9 s THR 86 Cb -0.20 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1se9 s THR 86 CO 0.22 0.29 0.14 -0.89 -0.69 0.00 0.00 174.62 173.68 1se9 s THR 87 N 1.55 4.64 -0.12 -0.82 2.01 -1.26 -0.32 115.64 121.33 1se9 s THR 87 Ca 0.07 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1se9 s THR 87 Cb -0.15 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1se9 s THR 87 CO 0.08 0.17 0.29 -0.04 -0.69 0.00 0.00 174.62 174.44 1se9 s MET 88 N 1.64 4.06 -0.20 4.92 -1.94 -0.34 -4.84 119.30 122.60 1se9 s MET 88 Ca 0.05 0.12 -0.22 0.00 -1.71 0.00 0.00 55.69 53.94 1se9 s MET 88 Cb -0.16 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 1se9 s MET 88 CO 0.06 0.41 0.67 -1.58 -0.01 0.00 0.00 175.02 174.57 1se9 s HIS 89 N -0.07 3.37 -0.15 -0.03 5.04 0.52 -0.44 115.29 123.53 1se9 s HIS 89 Ca 0.18 0.97 -0.04 0.00 -1.54 0.00 0.00 55.06 54.63 1se9 s HIS 89 Cb -0.14 -2.84 -0.03 0.00 0.04 0.00 0.00 32.58 29.61 1se9 s HIS 89 CO 0.06 -0.20 -0.01 0.08 -2.34 0.00 0.00 174.74 172.32 1se9 s VAL 90 N 2.02 4.14 -0.09 0.89 1.01 0.15 -1.89 120.40 126.63 1se9 s VAL 90 Ca 0.30 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1se9 s VAL 90 Cb -0.16 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1se9 s VAL 90 CO 0.10 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.85 1se9 s ILE 91 N 0.17 1.93 -0.17 2.22 1.01 -1.19 -0.80 121.20 124.38 1se9 s ILE 91 Ca -0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1se9 s ILE 91 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1se9 s ILE 91 CO 0.02 0.53 0.03 -0.63 0.00 0.00 0.00 174.94 174.90 1se9 s ILE 92 N 0.33 4.54 -0.31 2.92 -1.09 -1.26 -1.04 121.20 125.30 1se9 s ILE 92 Ca -0.17 -0.13 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1se9 s ILE 92 Cb -0.17 -3.03 0.06 0.00 -1.58 0.00 0.00 42.46 37.74 1se9 s ILE 92 CO 0.08 0.48 0.01 -1.10 -1.23 0.00 0.00 174.94 173.17 1se9 s GLN 93 N 0.31 2.35 -0.20 2.79 -0.21 0.57 -5.02 119.66 120.24 1se9 s GLN 93 Ca 0.01 -1.34 -0.10 0.00 0.02 0.00 0.00 55.36 53.96 1se9 s GLN 93 Cb -0.13 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.64 1se9 s GLN 93 CO 0.01 -0.66 0.12 0.00 -2.12 0.00 0.00 175.29 172.63 1se9 s ALA 94 N 1.22 3.64 0.42 6.09 0.00 -1.26 -4.24 121.76 127.63 1se9 s ALA 94 Ca -0.04 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 50.95 1se9 s ALA 94 Cb -0.20 -2.13 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 1se9 s ALA 94 CO -0.02 0.15 1.44 -2.30 0.00 0.00 0.00 175.76 175.04 1se9 n PRO 95 N 3.55 2.39 -0.25 0.00 -0.02 -1.26 -4.91 135.00 134.50 1se9 n PRO 95 Ca -0.16 0.85 -0.07 0.00 -2.02 0.00 0.00 63.50 62.09 1se9 n PRO 95 Cb 0.52 -2.63 0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1se9 n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1se9 h VAL 96 N 2.52 1.26 -2.73 -1.45 2.07 -2.01 -3.38 116.25 112.54 1se9 h VAL 96 Ca -0.51 -0.93 -0.57 0.00 0.82 0.00 0.00 66.70 65.51 1se9 h VAL 96 Cb 1.26 0.55 -0.39 0.00 -1.52 0.00 0.00 31.29 31.19 1se9 h VAL 96 CO 0.62 0.36 -0.81 0.28 0.02 0.00 0.00 177.57 178.03 1se9 s THR 97 N -5.35 0.34 -0.30 2.57 -1.32 -1.26 -5.03 115.64 105.29 1se9 s THR 97 Ca -0.12 -1.62 0.01 0.00 -1.21 0.00 0.00 61.69 58.74 1se9 s THR 97 Cb 0.14 -1.26 0.19 0.00 -1.51 0.00 0.00 72.50 70.07 1se9 s THR 97 CO 0.84 -0.90 0.74 -0.70 -2.21 0.00 0.00 174.62 172.39 1se9 s GLU 98 N 1.21 0.44 -0.13 7.08 2.12 -1.26 -5.06 118.70 123.10 1se9 s GLU 98 Ca 0.16 0.36 -0.08 0.00 0.36 0.00 0.00 54.97 55.76 1se9 s GLU 98 Cb -0.21 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.39 1se9 s GLU 98 CO -0.09 -0.80 0.17 1.17 -0.54 0.00 0.00 175.26 175.17 1se9 n LYS 99 N 5.22 -3.08 0.00 4.30 4.81 -1.26 -4.91 118.16 123.24 1se9 n LYS 99 Ca 0.07 2.48 0.07 0.00 -0.87 0.00 0.00 58.31 60.06 1se9 n LYS 99 Cb 0.56 -3.72 0.03 0.00 0.02 0.00 0.00 35.03 31.92 1se9 n LYS 99 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1se9 n GLU 100 N 1.13 1.34 0.00 1.64 -0.00 -1.26 -4.88 120.64 118.61 1se9 n GLU 100 Ca -0.29 -1.05 0.11 0.00 -0.00 0.00 0.00 57.16 55.93 1se9 n GLU 100 Cb 0.44 -1.23 0.09 0.00 -0.00 0.00 0.00 31.44 30.74 1se9 n GLU 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49