#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 3.35 -0.72 -1.84 0.00 -1.26 -5.00 121.76 116.29 1se9 s ALA 2 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 1se9 s ALA 2 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1se9 s ALA 2 CO 0.00 -1.77 1.44 -1.21 0.00 0.00 0.00 175.76 174.22 1se9 s GLU 3 N 2.93 3.06 0.00 0.00 2.02 -1.26 -4.74 118.70 120.70 1se9 s GLU 3 Ca 0.25 -0.06 0.18 0.00 0.02 0.00 0.00 54.97 55.35 1se9 s GLU 3 Cb -0.14 -4.29 0.24 0.00 0.10 0.00 0.00 34.13 30.04 1se9 s GLU 3 CO 0.19 -2.31 1.17 0.28 0.02 0.00 0.00 175.26 174.61 1se9 n VAL 4 N 6.63 0.26 -2.63 2.63 0.31 -1.26 -4.86 118.33 119.40 1se9 n VAL 4 Ca 0.09 -0.63 -0.42 0.00 -0.01 0.00 0.00 64.34 63.37 1se9 n VAL 4 Cb 0.50 1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 34.56 1se9 n VAL 4 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1se9 s HIS 5 N -1.39 2.68 -0.16 3.52 -3.43 -1.26 -4.62 115.29 110.63 1se9 s HIS 5 Ca 0.26 -1.05 0.18 0.00 -0.80 0.00 0.00 55.06 53.65 1se9 s HIS 5 Cb 0.16 -4.63 -0.26 0.00 -1.43 0.00 0.00 32.58 26.43 1se9 s HIS 5 CO 0.24 -1.84 0.15 -1.71 -2.00 0.00 0.00 174.74 169.58 1se9 n ASN 6 N 8.36 0.25 -3.31 7.38 2.85 -1.26 -4.34 115.26 125.19 1se9 n ASN 6 Ca 0.33 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.62 1se9 n ASN 6 Cb 0.50 1.19 0.12 0.00 1.24 0.00 0.00 39.78 42.82 1se9 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1se9 n GLN 7 N -2.61 -0.61 -3.39 1.20 1.13 -1.26 -4.52 117.38 107.33 1se9 n GLN 7 Ca -0.25 -1.41 -0.37 0.00 -1.94 0.00 0.00 57.00 53.02 1se9 n GLN 7 Cb 1.00 -0.77 -0.06 0.00 0.11 0.00 0.00 30.24 30.52 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1se9 s LEU 8 N 0.00 4.28 0.02 1.08 1.02 -0.41 -4.74 118.68 119.93 1se9 s LEU 8 Ca 0.47 0.74 -0.18 0.00 0.02 0.00 0.00 54.13 55.18 1se9 s LEU 8 Cb -0.02 -2.60 -0.06 0.00 0.02 0.00 0.00 46.19 43.54 1se9 s LEU 8 CO 0.32 0.05 0.51 -1.61 0.02 0.00 0.00 176.35 175.65 1se9 s GLU 9 N 0.45 4.14 -0.04 1.70 2.02 -1.26 0.71 118.70 126.42 1se9 s GLU 9 Ca 0.23 0.60 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1se9 s GLU 9 Cb -0.15 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.82 1se9 s GLU 9 CO 0.09 0.58 -0.16 0.42 0.02 0.00 0.00 175.26 176.20 1se9 s ILE 10 N -0.81 1.34 0.25 -1.63 1.01 0.50 0.35 121.20 122.20 1se9 s ILE 10 Ca 0.27 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.37 1se9 s ILE 10 Cb -0.18 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1se9 s ILE 10 CO 0.16 0.39 -0.18 -1.59 0.00 0.00 0.00 174.94 173.72 1se9 s LYS 11 N 0.09 1.75 -0.21 2.79 -2.85 0.97 -1.01 119.74 121.27 1se9 s LYS 11 Ca -0.04 -1.62 -0.03 0.00 -1.00 0.00 0.00 55.97 53.28 1se9 s LYS 11 Cb -0.11 -1.87 -0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1se9 s LYS 11 CO 0.02 0.36 -0.07 -0.06 0.10 0.00 0.00 175.35 175.70 1se9 s PHE 12 N -2.20 2.93 -0.33 1.78 0.08 -1.13 -0.58 117.98 118.52 1se9 s PHE 12 Ca 0.27 -0.99 -0.08 0.00 0.12 0.00 0.00 56.93 56.25 1se9 s PHE 12 Cb -0.06 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1se9 s PHE 12 CO 0.14 -0.55 0.13 0.50 -0.10 0.00 0.00 175.22 175.35 1se9 s ARG 13 N 1.35 3.00 0.56 0.44 6.06 0.11 0.03 118.95 130.50 1se9 s ARG 13 Ca 0.04 -0.94 -0.11 0.00 -2.50 0.00 0.00 55.73 52.23 1se9 s ARG 13 Cb -0.14 -3.52 -0.05 0.00 0.06 0.00 0.00 34.95 31.30 1se9 s ARG 13 CO -0.04 -0.54 0.95 -0.51 -2.50 0.00 0.00 175.30 172.66 1se9 s LEU 14 N 1.52 3.42 0.17 -0.88 1.02 0.94 0.49 118.68 125.36 1se9 s LEU 14 Ca 0.02 1.32 0.18 0.00 0.02 0.00 0.00 54.13 55.67 1se9 s LEU 14 Cb -0.18 -4.32 0.80 0.00 0.02 0.00 0.00 46.19 42.51 1se9 s LEU 14 CO 0.04 -0.73 1.55 0.35 0.02 0.00 0.00 176.35 177.58 1se9 n THR 15 N -2.34 1.06 1.02 5.49 -2.24 -0.32 -1.40 114.28 115.55 1se9 n THR 15 Ca 0.05 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.32 1se9 n THR 15 Cb 0.54 -1.27 0.60 0.00 -2.10 0.00 0.00 70.33 68.10 1se9 n THR 15 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1se9 n ASP 16 N -1.96 0.00 0.00 3.42 2.03 -1.26 -4.88 116.55 113.90 1se9 n ASP 16 Ca 0.02 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1se9 n ASP 16 Cb 0.15 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 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 1.15 0.60 3.59 0.27 0.00 -0.49 -5.04 105.19 105.26 1se9 n GLY 17 Ca 0.08 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.24 4.43 0.09 1.61 0.01 -1.25 -4.94 113.70 111.41 1se9 s SER 18 Ca 0.00 -0.41 0.08 0.00 1.31 0.00 0.00 55.95 56.93 1se9 s SER 18 Cb 0.00 -0.85 -0.03 0.00 0.21 0.00 0.00 66.02 65.35 1se9 s SER 18 CO 0.00 0.16 -0.21 1.51 0.41 0.00 0.00 173.24 175.11 1se9 s ASP 19 N -2.38 2.56 -0.06 2.44 -4.77 -1.26 -0.04 116.67 113.15 1se9 s ASP 19 Ca 0.23 -0.64 -0.01 0.00 -3.30 0.00 0.00 52.55 48.82 1se9 s ASP 19 Cb -0.11 -0.16 -0.03 0.00 -1.09 0.00 0.00 42.92 41.53 1se9 s ASP 19 CO 0.15 0.10 0.01 -0.63 0.70 0.00 0.00 175.17 175.49 1se9 s ILE 20 N -1.04 4.35 0.52 2.11 1.01 0.10 -4.97 121.20 123.28 1se9 s ILE 20 Ca 0.07 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 1se9 s ILE 20 Cb -0.10 -2.87 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 1se9 s ILE 20 CO 0.04 0.54 0.81 0.61 0.00 0.00 0.00 174.94 176.94 1se9 n GLY 21 N 1.91 -0.74 3.77 6.18 0.00 -1.26 -2.83 105.19 112.22 1se9 n GLY 21 Ca -0.17 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.21 3.60 0.03 1.61 0.04 -1.26 -4.64 135.00 132.17 1se9 s PRO 22 Ca 0.69 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.61 1se9 s PRO 22 Cb -0.49 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 1se9 s PRO 22 CO 0.53 -0.71 -0.13 0.21 0.04 0.00 0.00 177.00 176.95 1se9 s LYS 23 N -2.80 0.88 -0.21 4.56 2.36 -0.18 -4.92 119.74 119.43 1se9 s LYS 23 Ca 0.66 -0.71 -0.20 0.00 -2.55 0.00 0.00 55.97 53.17 1se9 s LYS 23 Cb -0.30 -0.87 -0.03 0.00 -1.05 0.00 0.00 37.83 35.58 1se9 s LYS 23 CO 0.36 0.21 0.60 0.00 1.55 0.00 0.00 175.35 178.08 1se9 s ALA 24 N -0.83 3.56 -0.13 3.13 0.00 -1.26 -0.37 121.76 125.86 1se9 s ALA 24 Ca 0.01 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1se9 s ALA 24 Cb -0.08 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1se9 s ALA 24 CO 0.01 -0.60 -0.22 -0.06 0.00 0.00 0.00 175.76 174.89 1se9 s PHE 25 N 2.00 2.62 0.61 0.00 0.40 0.22 -4.88 117.98 118.96 1se9 s PHE 25 Ca 0.27 -1.26 -0.19 0.00 -0.60 0.00 0.00 56.93 55.15 1se9 s PHE 25 Cb -0.16 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1se9 s PHE 25 CO 0.10 -0.56 1.30 -2.14 0.70 0.00 0.00 175.22 174.62 1se9 s PRO 26 N 0.69 2.75 0.53 0.24 0.02 -1.26 -1.29 135.00 136.69 1se9 s PRO 26 Ca -0.10 2.08 0.20 0.00 0.02 0.00 0.00 61.00 63.20 1se9 s PRO 26 Cb -0.16 -1.96 1.41 0.00 0.02 0.00 0.00 34.50 33.81 1se9 s PRO 26 CO 0.01 -1.45 2.16 0.38 -0.33 0.00 0.00 177.00 177.78 1se9 h ASP 27 N 0.82 0.00 0.20 2.53 2.03 -1.97 -0.57 116.42 119.47 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 1.32 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1se9 h ASP 27 CO 0.54 0.02 -0.05 0.00 -1.03 0.00 0.00 179.24 178.72 1se9 n ALA 28 N -2.47 2.69 -2.30 4.15 0.00 -1.26 -0.53 120.51 120.79 1se9 n ALA 28 Ca -0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1se9 n ALA 28 Cb 0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.26 3.72 0.56 0.00 2.01 -0.22 -4.79 115.64 114.66 1se9 s THR 29 Ca 0.36 1.25 -0.15 0.00 0.31 0.00 0.00 61.69 63.46 1se9 s THR 29 Cb 0.21 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.86 1se9 s THR 29 CO 0.42 0.11 1.01 0.42 -0.69 0.00 0.00 174.62 175.88 1se9 s THR 30 N 0.98 4.51 0.49 -0.82 -4.23 -1.26 -1.45 115.64 113.86 1se9 s THR 30 Ca 0.60 1.07 0.22 0.00 -1.18 0.00 0.00 61.69 62.41 1se9 s THR 30 Cb -0.33 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.06 1se9 s THR 30 CO 0.30 -0.82 2.11 0.58 -0.54 0.00 0.00 174.62 176.25 1se9 h VAL 31 N 0.46 0.81 -0.34 2.29 2.07 -0.06 0.28 116.25 121.76 1se9 h VAL 31 Ca -0.46 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1se9 h VAL 31 Cb 1.19 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1se9 h VAL 31 CO 0.61 0.09 0.21 0.77 0.02 0.00 0.00 177.57 179.27 1se9 h SER 32 N 0.00 0.40 0.68 0.57 4.64 -0.88 0.18 113.55 119.15 1se9 h SER 32 Ca -0.00 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1se9 h SER 32 Cb 0.19 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1se9 h SER 32 CO 0.01 0.33 -0.46 0.00 -0.87 0.00 0.00 176.83 175.85 1se9 h ALA 33 N 1.09 1.05 -0.05 5.18 0.00 -1.49 0.64 119.26 125.67 1se9 h ALA 33 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1se9 h ALA 33 Cb -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1se9 h ALA 33 CO -0.02 0.57 0.02 1.25 0.00 0.00 0.00 179.25 181.07 1se9 h LEU 34 N 0.00 0.07 -0.58 0.00 5.85 -0.43 0.57 115.31 120.78 1se9 h LEU 34 Ca -0.00 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1se9 h LEU 34 Cb 0.92 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1se9 h LEU 34 CO 0.06 0.23 0.24 0.11 -0.34 0.00 0.00 178.44 178.74 1se9 h LYS 35 N -0.09 0.87 -0.88 1.25 1.57 -0.28 -1.31 116.57 117.69 1se9 h LYS 35 Ca 0.02 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1se9 h LYS 35 Cb 0.18 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1se9 h LYS 35 CO -0.00 0.73 0.57 0.93 -0.57 0.00 0.00 179.45 181.11 1se9 h GLU 36 N 0.80 0.91 -0.43 3.15 4.39 -0.66 0.38 114.58 123.12 1se9 h GLU 36 Ca 0.20 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1se9 h GLU 36 Cb 0.18 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1se9 h GLU 36 CO -0.02 0.60 0.01 1.15 -1.16 0.00 0.00 179.01 179.60 1se9 h THR 37 N 0.94 1.26 -0.14 1.13 2.02 -0.39 -1.32 112.91 116.41 1se9 h THR 37 Ca 0.39 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1se9 h THR 37 Cb 0.29 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1se9 h THR 37 CO -0.15 0.35 0.07 0.58 0.37 0.00 0.00 175.52 176.73 1se9 h VAL 38 N 0.60 1.13 -0.30 3.16 2.07 0.05 -1.33 116.25 121.63 1se9 h VAL 38 Ca 0.12 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1se9 h VAL 38 Cb 0.47 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1se9 h VAL 38 CO 0.02 0.12 0.18 0.40 0.02 0.00 0.00 177.57 178.31 1se9 h ILE 39 N 0.10 1.09 -0.20 4.57 2.04 -0.24 0.46 117.51 125.32 1se9 h ILE 39 Ca 0.05 -0.19 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 1se9 h ILE 39 Cb 0.13 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1se9 h ILE 39 CO -0.01 0.09 -0.66 0.28 0.00 0.00 0.00 178.15 177.85 1se9 h SER 40 N 0.41 0.88 1.31 1.72 0.02 -0.78 -3.21 113.55 113.89 1se9 h SER 40 Ca 0.11 -0.52 -0.14 0.00 -0.84 0.00 0.00 61.79 60.39 1se9 h SER 40 Cb -0.02 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1se9 h SER 40 CO -0.02 1.31 -0.69 -0.33 -1.14 0.00 0.00 176.83 175.96 1se9 h GLU 41 N 0.56 0.00 -6.30 3.45 4.39 -0.37 -3.44 114.58 112.86 1se9 h GLU 41 Ca -0.02 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.13 1se9 h GLU 41 Cb 1.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1se9 h GLU 41 CO 0.14 0.68 0.35 -0.46 -1.16 0.00 0.00 179.01 178.56 1se9 s TRP 42 N -2.87 3.61 0.08 4.33 -0.11 0.15 -4.96 118.94 119.17 1se9 s TRP 42 Ca 0.03 1.58 -0.32 0.00 1.22 0.00 0.00 56.10 58.61 1se9 s TRP 42 Cb 0.08 -3.07 -0.11 0.00 -1.50 0.00 0.00 33.47 28.87 1se9 s TRP 42 CO 0.77 -0.04 1.81 -2.30 -4.62 0.00 0.00 176.95 172.57 1se9 n PRO 43 N 4.11 2.54 0.14 5.86 -0.02 -1.26 -4.82 135.00 141.55 1se9 n PRO 43 Ca 0.05 0.92 0.02 0.00 -2.02 0.00 0.00 63.50 62.48 1se9 n PRO 43 Cb 0.51 -2.79 0.38 0.00 -0.02 0.00 0.00 33.50 31.58 1se9 n PRO 43 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1se9 h ARG 44 N 8.33 0.18 -0.09 -0.52 2.43 -1.91 -1.31 114.38 121.49 1se9 h ARG 44 Ca -0.47 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1se9 h ARG 44 Cb 1.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1se9 h ARG 44 CO 0.94 0.38 0.00 0.39 -1.51 0.00 0.00 179.97 180.17 1se9 n GLU 45 N -4.23 1.45 -1.80 0.20 1.02 -1.26 -4.81 120.64 111.20 1se9 n GLU 45 Ca -0.01 -0.67 -0.43 0.00 -0.02 0.00 0.00 57.16 56.03 1se9 n GLU 45 Cb 0.30 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1se9 s LYS 46 N -1.89 3.19 0.09 3.49 2.47 -0.50 -4.91 119.74 121.69 1se9 s LYS 46 Ca 0.33 1.71 -0.30 0.00 -1.56 0.00 0.00 55.97 56.14 1se9 s LYS 46 Cb 0.17 -4.29 -0.06 0.00 -1.46 0.00 0.00 37.83 32.18 1se9 s LYS 46 CO 0.26 -2.03 1.15 -1.83 0.16 0.00 0.00 175.35 173.07 1se9 s GLU 47 N 6.08 4.49 -0.33 4.03 -1.05 -1.26 -4.24 118.70 126.42 1se9 s GLU 47 Ca 0.90 1.73 -0.15 0.00 -0.15 0.00 0.00 54.97 57.30 1se9 s GLU 47 Cb -0.27 -3.33 0.02 0.00 -0.44 0.00 0.00 34.13 30.11 1se9 s GLU 47 CO 0.34 -0.14 0.36 -1.71 0.95 0.00 0.00 175.26 175.06 1se9 n ASN 48 N 3.42 -7.17 -0.15 0.83 5.15 -1.26 -5.02 115.26 111.06 1se9 n ASN 48 Ca 0.07 0.58 0.00 0.00 -0.60 0.00 0.00 54.58 54.63 1se9 n ASN 48 Cb 0.47 -3.86 0.00 0.00 -0.53 0.00 0.00 39.78 35.85 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 0.25 1.47 2.39 8.20 0.00 -1.26 -4.82 105.19 111.43 1se9 n GLY 49 Ca 0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 0.76 0.04 1.61 -0.02 -1.26 -4.30 135.00 131.82 1se9 n PRO 50 Ca 0.00 -0.44 0.01 0.00 -2.02 0.00 0.00 63.50 61.05 1se9 n PRO 50 Cb 0.00 -1.75 0.33 0.00 -0.02 0.00 0.00 33.50 32.06 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 5.26 0.44 -5.06 -0.52 3.64 -1.90 -3.42 116.57 115.00 1se9 h LYS 51 Ca 0.10 -0.09 -0.45 0.00 -1.27 0.00 0.00 60.65 58.94 1se9 h LYS 51 Cb 0.46 -0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.07 1se9 h LYS 51 CO 0.53 0.49 -0.59 0.95 -2.27 0.00 0.00 179.45 178.56 1se9 s THR 52 N -4.92 0.81 0.31 1.00 -4.23 -1.26 -4.94 115.64 102.41 1se9 s THR 52 Ca -0.07 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1se9 s THR 52 Cb 0.15 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.67 1se9 s THR 52 CO 0.75 0.00 1.80 1.62 -0.54 0.00 0.00 174.62 178.26 1se9 h VAL 53 N 2.13 0.76 0.00 2.29 3.04 -1.91 -1.29 116.25 121.28 1se9 h VAL 53 Ca -0.38 -0.27 -0.12 0.00 -1.01 0.00 0.00 66.70 64.92 1se9 h VAL 53 Cb 1.25 -0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.42 1se9 h VAL 53 CO 0.63 0.14 -0.55 0.11 -1.01 0.00 0.00 177.57 176.89 1se9 h LYS 54 N 0.79 0.00 0.00 4.17 1.57 -1.97 -3.29 116.57 117.84 1se9 h LYS 54 Ca 0.55 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.19 1se9 h LYS 54 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1se9 h LYS 54 CO -0.33 0.55 -1.11 0.93 -0.57 0.00 0.00 179.45 178.92 1se9 h GLU 55 N 0.00 0.00 -5.22 3.15 4.39 -1.58 -3.43 114.58 111.88 1se9 h GLU 55 Ca -0.01 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.06 1se9 h GLU 55 Cb 1.30 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 1se9 h GLU 55 CO 0.07 0.34 -0.11 0.54 -1.16 0.00 0.00 179.01 178.69 1se9 s VAL 56 N -2.96 5.09 -0.18 3.13 0.11 -0.93 -4.19 120.40 120.47 1se9 s VAL 56 Ca -0.01 0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 59.53 1se9 s VAL 56 Cb 0.08 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 1se9 s VAL 56 CO 0.79 -0.01 -0.01 -0.54 -3.33 0.00 0.00 175.10 172.00 1se9 s LYS 57 N 2.25 3.70 -0.14 1.54 1.02 -1.21 -4.92 119.74 121.97 1se9 s LYS 57 Ca 0.18 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.61 1se9 s LYS 57 Cb -0.16 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1se9 s LYS 57 CO 0.11 0.16 0.08 -0.51 -0.92 0.00 0.00 175.35 174.27 1se9 s LEU 58 N 0.61 3.98 -0.13 3.17 2.01 -1.26 -0.61 118.68 126.45 1se9 s LEU 58 Ca -0.01 0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.36 1se9 s LEU 58 Cb -0.14 -1.98 0.02 0.00 0.01 0.00 0.00 46.19 44.11 1se9 s LEU 58 CO 0.02 0.29 -0.13 -0.63 1.01 0.00 0.00 176.35 176.92 1se9 s ILE 59 N -0.35 1.42 -0.23 -0.59 -1.09 0.15 -1.41 121.20 119.10 1se9 s ILE 59 Ca 0.09 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1se9 s ILE 59 Cb -0.12 -1.35 0.04 0.00 -1.58 0.00 0.00 42.46 39.46 1se9 s ILE 59 CO 0.02 0.43 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.08 1se9 s SER 60 N 1.46 3.89 -1.13 3.58 1.04 -0.52 -0.94 113.70 121.08 1se9 s SER 60 Ca 0.03 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1se9 s SER 60 Cb -0.13 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1se9 s SER 60 CO -0.09 -0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.02 1se9 n ALA 61 N 4.52 -0.16 -0.03 5.32 0.00 -1.26 -1.38 120.51 127.52 1se9 n ALA 61 Ca -0.17 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1se9 n ALA 61 Cb 0.45 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.86 0.44 3.53 0.00 0.00 -1.26 -5.07 105.19 101.97 1se9 n GLY 62 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.97 3.79 -0.15 1.61 2.36 -0.48 -5.04 119.74 120.87 1se9 s LYS 63 Ca 0.00 -0.43 -0.29 0.00 -2.55 0.00 0.00 55.97 52.70 1se9 s LYS 63 Cb 0.00 -3.23 -0.04 0.00 -1.05 0.00 0.00 37.83 33.52 1se9 s LYS 63 CO 0.00 0.06 1.61 0.08 1.55 0.00 0.00 175.35 178.66 1se9 s VAL 64 N 0.92 3.69 0.19 4.02 1.01 -1.26 -1.44 120.40 127.53 1se9 s VAL 64 Ca 0.03 0.80 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 1se9 s VAL 64 Cb -0.14 -3.62 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1se9 s VAL 64 CO 0.03 -0.18 1.76 0.18 0.00 0.00 0.00 175.10 176.89 1se9 n LEU 65 N 7.81 4.02 -4.69 3.92 7.99 -0.50 -4.95 117.00 130.60 1se9 n LEU 65 Ca 0.18 1.04 -0.41 0.00 -0.01 0.00 0.00 56.01 56.81 1se9 n LEU 65 Cb 0.44 -1.57 -0.04 0.00 -0.11 0.00 0.00 43.42 42.15 1se9 n LEU 65 CO 0.63 0.19 0.61 -0.70 -1.51 0.00 0.00 177.39 176.61 1se9 s GLU 66 N 1.60 4.38 0.54 3.23 -6.30 -1.26 -4.85 118.70 116.04 1se9 s GLU 66 Ca 0.77 1.11 0.20 0.00 -2.50 0.00 0.00 54.97 54.55 1se9 s GLU 66 Cb -0.50 -3.53 1.39 0.00 0.00 0.00 0.00 34.13 31.49 1se9 s GLU 66 CO 0.33 -0.21 2.13 -2.95 0.02 0.00 0.00 175.26 174.58 1se9 h ASN 67 N 7.11 0.00 -0.22 -1.70 7.08 -1.92 -2.12 115.58 123.80 1se9 h ASN 67 Ca -0.33 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 1se9 h ASN 67 Cb 1.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 1se9 h ASN 67 CO 0.81 0.00 0.00 -1.20 -2.08 0.00 0.00 177.43 174.96 1se9 n SER 68 N -4.37 1.83 -4.98 6.14 7.64 -1.26 -0.28 113.62 118.35 1se9 n SER 68 Ca 0.00 -1.78 -0.19 0.00 1.01 0.00 0.00 58.87 57.91 1se9 n SER 68 Cb 0.22 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.72 3.05 0.47 1.43 -0.14 -0.80 -4.89 119.74 117.15 1se9 s LYS 69 Ca 0.31 -1.07 0.08 0.00 -1.36 0.00 0.00 55.97 53.93 1se9 s LYS 69 Cb 0.17 -2.77 0.03 0.00 -1.68 0.00 0.00 37.83 33.58 1se9 s LYS 69 CO 0.25 0.04 0.64 0.95 -0.76 0.00 0.00 175.35 176.47 1se9 s THR 70 N -2.21 2.75 0.25 2.17 -4.23 -1.26 0.30 115.64 113.42 1se9 s THR 70 Ca 0.45 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1se9 s THR 70 Cb -0.09 -2.77 0.18 0.00 1.34 0.00 0.00 72.50 71.16 1se9 s THR 70 CO 0.31 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.80 1se9 h VAL 71 N 0.48 1.24 -0.37 2.29 2.07 -0.74 -2.45 116.25 118.78 1se9 h VAL 71 Ca -0.37 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.47 1se9 h VAL 71 Cb 1.28 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1se9 h VAL 71 CO 0.44 0.30 0.25 0.50 0.02 0.00 0.00 177.57 179.08 1se9 h LYS 72 N 1.04 0.28 0.00 1.57 3.64 -1.08 0.53 116.57 122.55 1se9 h LYS 72 Ca 0.25 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1se9 h LYS 72 Cb 0.17 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1se9 h LYS 72 CO -0.02 0.18 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.86 1se9 h ASP 73 N 0.28 0.00 0.00 4.20 3.32 -1.71 -2.77 116.42 119.74 1se9 h ASP 73 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1se9 h ASP 73 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1se9 h ASP 73 CO -0.03 0.04 -0.56 -1.22 -1.72 0.00 0.00 179.24 175.75 1se9 n TYR 74 N -3.99 0.00 -4.60 4.55 4.02 -0.38 -5.03 117.16 111.73 1se9 n TYR 74 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.59 1se9 n TYR 74 Cb 0.12 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.33 1se9 n TYR 74 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1se9 s ARG 75 N -2.00 1.97 0.12 -0.72 1.81 0.04 -5.13 118.95 115.04 1se9 s ARG 75 Ca 0.03 -2.19 0.08 0.00 -1.72 0.00 0.00 55.73 51.93 1se9 s ARG 75 Cb 0.07 -1.10 -0.04 0.00 -0.45 0.00 0.00 34.95 33.43 1se9 s ARG 75 CO 0.40 -0.33 -0.14 -1.12 -0.68 0.00 0.00 175.30 173.44 1se9 s SER 76 N -3.69 4.14 0.27 0.23 0.01 -1.26 -4.64 113.70 108.75 1se9 s SER 76 Ca 0.22 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 1se9 s SER 76 Cb 0.04 -0.68 -0.11 0.00 0.21 0.00 0.00 66.02 65.48 1se9 s SER 76 CO 0.11 0.17 1.61 -2.84 0.41 0.00 0.00 173.24 172.70 1se9 s PRO 77 N -2.24 4.14 0.09 12.44 0.02 -1.26 -4.91 135.00 143.27 1se9 s PRO 77 Ca 0.20 2.56 -0.09 0.00 0.02 0.00 0.00 61.00 63.69 1se9 s PRO 77 Cb -0.11 -3.05 -0.21 0.00 0.02 0.00 0.00 34.50 31.16 1se9 s PRO 77 CO 0.12 -0.64 1.20 -0.24 -0.33 0.00 0.00 177.00 177.11 1se9 h VAL 78 N 3.51 1.36 -1.58 3.83 3.04 -1.98 -3.47 116.25 120.96 1se9 h VAL 78 Ca -0.46 -2.52 -0.34 0.00 -1.01 0.00 0.00 66.70 62.37 1se9 h VAL 78 Cb 1.22 2.59 -0.11 0.00 -2.01 0.00 0.00 31.29 32.97 1se9 h VAL 78 CO 0.83 0.76 -0.33 -1.20 -1.01 0.00 0.00 177.57 176.62 1se9 n SER 79 N -3.74 -4.46 -0.29 3.17 7.64 -1.26 -4.85 113.62 109.83 1se9 n SER 79 Ca -0.10 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1se9 n SER 79 Cb 0.92 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 1se9 n SER 79 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1se9 n ASN 80 N -1.06 0.00 -4.68 6.43 3.02 -1.26 -5.15 115.26 112.56 1se9 n ASN 80 Ca -0.17 -0.29 -0.29 0.00 -0.03 0.00 0.00 54.58 53.79 1se9 n ASN 80 Cb 0.56 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.89 1se9 n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1se9 s LEU 81 N 0.00 1.94 -0.39 3.41 1.43 -1.26 -5.03 118.68 118.79 1se9 s LEU 81 Ca 0.00 1.42 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 1se9 s LEU 81 Cb 0.00 -3.72 0.15 0.00 0.03 0.00 0.00 46.19 42.65 1se9 s LEU 81 CO 0.00 -2.96 0.25 0.00 0.23 0.00 0.00 176.35 173.87 1se9 s ALA 82 N -2.89 1.28 -0.60 4.21 0.00 -1.26 -4.85 121.76 117.65 1se9 s ALA 82 Ca 0.65 -2.15 0.13 0.00 0.00 0.00 0.00 51.96 50.59 1se9 s ALA 82 Cb -0.19 -1.66 -0.15 0.00 0.00 0.00 0.00 23.12 21.12 1se9 s ALA 82 CO 0.58 -2.07 0.56 0.41 0.00 0.00 0.00 175.76 175.23 1se9 n GLY 83 N 3.65 -0.29 3.65 0.00 0.00 -1.26 -4.76 105.19 106.18 1se9 n GLY 83 Ca 0.16 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.31 3.61 -0.10 4.61 0.00 -1.26 -5.00 121.76 121.31 1se9 s ALA 84 Ca 0.05 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 1se9 s ALA 84 Cb 0.10 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1se9 s ALA 84 CO 0.55 -1.23 0.44 0.08 0.00 0.00 0.00 175.76 175.60 1se9 s VAL 85 N 3.42 5.17 -0.11 0.00 1.01 -1.26 -4.25 120.40 124.37 1se9 s VAL 85 Ca 0.46 0.87 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 1se9 s VAL 85 Cb -0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1se9 s VAL 85 CO 0.11 0.39 0.75 -0.89 0.00 0.00 0.00 175.10 175.45 1se9 s THR 86 N 0.25 4.98 -0.31 3.92 2.01 0.15 -4.92 115.64 121.72 1se9 s THR 86 Ca 0.24 1.50 -0.15 0.00 0.31 0.00 0.00 61.69 63.59 1se9 s THR 86 Cb -0.15 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1se9 s THR 86 CO 0.10 0.16 0.36 -0.89 -0.69 0.00 0.00 174.62 173.65 1se9 s THR 87 N 1.38 5.18 -0.13 -0.82 2.01 -1.26 -0.02 115.64 121.97 1se9 s THR 87 Ca 0.37 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.59 1se9 s THR 87 Cb -0.17 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 1se9 s THR 87 CO 0.16 0.03 0.07 -0.32 -0.69 0.00 0.00 174.62 173.87 1se9 s MET 88 N 2.03 3.50 -0.19 4.92 1.75 0.25 -4.92 119.30 126.64 1se9 s MET 88 Ca 0.13 -0.28 -0.15 0.00 -1.25 0.00 0.00 55.69 54.13 1se9 s MET 88 Cb -0.16 -3.09 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 1se9 s MET 88 CO 0.11 0.58 0.35 -1.58 -0.65 0.00 0.00 175.02 173.83 1se9 s HIS 89 N -0.50 3.40 -0.17 4.11 2.46 -0.11 0.07 115.29 124.55 1se9 s HIS 89 Ca 0.10 0.59 -0.05 0.00 0.47 0.00 0.00 55.06 56.17 1se9 s HIS 89 Cb -0.12 -2.45 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 1se9 s HIS 89 CO 0.02 0.08 0.00 0.08 -2.47 0.00 0.00 174.74 172.45 1se9 s VAL 90 N 1.00 4.18 -0.33 0.89 1.01 0.18 0.33 120.40 127.66 1se9 s VAL 90 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1se9 s VAL 90 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1se9 s VAL 90 CO 0.07 0.47 0.31 -0.63 0.00 0.00 0.00 175.10 175.31 1se9 s ILE 91 N 0.52 5.22 -0.61 2.22 1.01 0.22 -1.17 121.20 128.60 1se9 s ILE 91 Ca -0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 1se9 s ILE 91 Cb -0.14 -3.76 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1se9 s ILE 91 CO 0.02 -0.03 0.89 -0.63 0.00 0.00 0.00 174.94 175.18 1se9 s ILE 92 N 1.91 4.47 -0.21 2.92 -1.09 -1.26 -3.30 121.20 124.63 1se9 s ILE 92 Ca 0.10 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1se9 s ILE 92 Cb -0.17 -4.58 0.05 0.00 -1.58 0.00 0.00 42.46 36.19 1se9 s ILE 92 CO 0.11 -1.26 -0.05 -1.10 -1.23 0.00 0.00 174.94 171.41 1se9 s GLN 93 N 3.69 1.56 0.33 2.79 -0.21 -1.26 -5.00 119.66 121.57 1se9 s GLN 93 Ca 0.22 -0.84 -0.21 0.00 0.02 0.00 0.00 55.36 54.54 1se9 s GLN 93 Cb -0.17 -2.43 -0.10 0.00 1.00 0.00 0.00 33.01 31.31 1se9 s GLN 93 CO 0.12 -0.55 0.86 0.00 -2.12 0.00 0.00 175.29 173.59 1se9 s ALA 94 N 1.47 3.22 1.19 6.09 0.00 -1.26 -4.46 121.76 128.02 1se9 s ALA 94 Ca -0.04 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1se9 s ALA 94 Cb -0.18 -3.01 0.18 0.00 0.00 0.00 0.00 23.12 20.11 1se9 s ALA 94 CO -0.07 0.23 0.52 -2.30 0.00 0.00 0.00 175.76 174.14 1se9 n PRO 95 N 0.06 -2.75 -2.34 0.00 -0.02 -1.26 -4.91 135.00 123.78 1se9 n PRO 95 Ca 0.03 -0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 60.23 1se9 n PRO 95 Cb 0.52 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 33.06 1se9 n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1se9 s VAL 96 N -1.84 3.98 -0.28 -1.45 1.01 -1.26 -4.90 120.40 115.67 1se9 s VAL 96 Ca 0.36 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1se9 s VAL 96 Cb -0.05 -4.07 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1se9 s VAL 96 CO 0.29 -0.51 0.38 -0.89 0.00 0.00 0.00 175.10 174.37 1se9 s THR 97 N 4.84 -0.58 -0.18 3.92 2.01 -1.26 -5.08 115.64 119.31 1se9 s THR 97 Ca 0.61 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 1se9 s THR 97 Cb -0.18 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 1se9 s THR 97 CO 0.27 -0.27 -0.31 1.21 -0.69 0.00 0.00 174.62 174.83 1se9 n GLU 98 N 5.35 0.52 -1.33 4.92 2.13 -1.26 -4.84 120.64 126.12 1se9 n GLU 98 Ca -0.01 0.28 -0.03 0.00 0.66 0.00 0.00 57.16 58.06 1se9 n GLU 98 Cb 0.49 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 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 -4.47 0.14 -2.28 5.31 4.81 -1.26 -5.05 118.16 115.36 1se9 n LYS 99 Ca -0.17 -1.44 -0.35 0.00 -0.87 0.00 0.00 58.31 55.48 1se9 n LYS 99 Cb 0.51 0.25 -0.04 0.00 0.02 0.00 0.00 35.03 35.78 1se9 n LYS 99 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1se9 s GLU 100 N -0.13 2.99 0.00 1.64 8.01 -1.26 -5.36 118.70 124.60 1se9 s GLU 100 Ca 0.13 -0.42 0.00 0.00 0.01 0.00 0.00 54.97 54.69 1se9 s GLU 100 Cb 0.17 -4.94 0.00 0.00 -4.31 0.00 0.00 34.13 25.05 1se9 s GLU 100 CO -0.07 -2.73 0.00 1.17 0.01 0.00 0.00 175.26 173.65