#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 -2.31 -1.22 4.31 0.00 -1.26 -5.05 121.76 116.24 1se9 s ALA 2 Ca 0.00 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 1se9 s ALA 2 Cb 0.00 0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1se9 s ALA 2 CO 0.00 -1.06 1.64 -1.21 0.00 0.00 0.00 175.76 175.12 1se9 s GLU 3 N -2.31 3.88 -0.22 0.00 2.02 -1.26 -4.93 118.70 115.87 1se9 s GLU 3 Ca 0.16 -1.79 -0.23 0.00 0.02 0.00 0.00 54.97 53.13 1se9 s GLU 3 Cb 0.05 -5.46 -0.02 0.00 0.10 0.00 0.00 34.13 28.80 1se9 s GLU 3 CO -0.04 -2.22 0.72 0.08 0.02 0.00 0.00 175.26 173.83 1se9 s VAL 4 N 4.28 4.93 0.06 2.63 1.01 -1.26 -4.74 120.40 127.31 1se9 s VAL 4 Ca 0.51 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1se9 s VAL 4 Cb 0.02 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1se9 s VAL 4 CO 0.03 0.02 0.00 1.41 0.00 0.00 0.00 175.10 176.56 1se9 n HIS 5 N 5.55 -0.45 -3.39 5.22 8.25 -1.26 -5.01 115.22 124.13 1se9 n HIS 5 Ca 0.02 0.08 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 1se9 n HIS 5 Cb 0.49 0.41 -0.09 0.00 1.12 0.00 0.00 29.99 31.91 1se9 n HIS 5 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1se9 s ASN 6 N -5.05 1.50 0.06 0.41 2.20 -1.26 -5.12 114.94 107.68 1se9 s ASN 6 Ca 0.00 -1.13 -0.11 0.00 -0.94 0.00 0.00 52.86 50.67 1se9 s ASN 6 Cb 0.00 0.50 0.01 0.00 -2.00 0.00 0.00 41.25 39.77 1se9 s ASN 6 CO 0.00 -0.33 0.25 0.00 -2.94 0.00 0.00 177.10 174.07 1se9 s GLN 7 N 1.95 0.79 -0.03 3.55 -2.07 -1.26 -4.92 119.66 117.66 1se9 s GLN 7 Ca 0.13 -0.65 -0.14 0.00 -1.82 0.00 0.00 55.36 52.87 1se9 s GLN 7 Cb -0.15 0.33 -0.05 0.00 -1.09 0.00 0.00 33.01 32.05 1se9 s GLN 7 CO -0.20 -0.25 0.39 -0.51 -1.32 0.00 0.00 175.29 173.40 1se9 s LEU 8 N -2.27 4.43 -0.22 2.60 1.02 0.42 -4.66 118.68 120.01 1se9 s LEU 8 Ca -0.03 0.88 -0.20 0.00 0.02 0.00 0.00 54.13 54.81 1se9 s LEU 8 Cb 0.00 -2.55 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 1se9 s LEU 8 CO -0.05 0.28 0.59 -1.61 0.02 0.00 0.00 176.35 175.58 1se9 s GLU 9 N -0.78 4.16 -0.08 1.70 2.02 -1.26 0.46 118.70 124.92 1se9 s GLU 9 Ca 0.23 0.52 0.03 0.00 0.02 0.00 0.00 54.97 55.76 1se9 s GLU 9 Cb -0.16 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 1se9 s GLU 9 CO 0.12 -0.28 -0.16 0.42 0.02 0.00 0.00 175.26 175.38 1se9 s ILE 10 N 2.05 2.84 0.06 -1.63 1.01 0.35 -1.05 121.20 124.84 1se9 s ILE 10 Ca 0.26 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.22 1se9 s ILE 10 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1se9 s ILE 10 CO 0.09 0.56 -0.23 -1.59 0.00 0.00 0.00 174.94 173.78 1se9 s LYS 11 N -0.23 1.85 -0.19 2.79 -2.85 0.96 -1.29 119.74 120.77 1se9 s LYS 11 Ca 0.00 -1.10 -0.09 0.00 -1.00 0.00 0.00 55.97 53.78 1se9 s LYS 11 Cb -0.13 -2.05 -0.05 0.00 -2.06 0.00 0.00 37.83 33.54 1se9 s LYS 11 CO 0.03 0.51 0.12 -0.06 0.10 0.00 0.00 175.35 176.05 1se9 s PHE 12 N -0.90 3.40 -0.20 1.78 0.08 -1.14 -1.22 117.98 119.78 1se9 s PHE 12 Ca 0.13 0.30 0.01 0.00 0.12 0.00 0.00 56.93 57.50 1se9 s PHE 12 Cb -0.10 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1se9 s PHE 12 CO 0.04 0.32 -0.16 0.50 -0.10 0.00 0.00 175.22 175.82 1se9 s ARG 13 N 0.18 2.91 0.78 0.44 3.52 0.40 0.22 118.95 127.40 1se9 s ARG 13 Ca 0.08 -0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 54.67 1se9 s ARG 13 Cb -0.11 -2.68 0.06 0.00 -1.56 0.00 0.00 34.95 30.65 1se9 s ARG 13 CO -0.01 -0.27 1.10 -0.51 -0.81 0.00 0.00 175.30 174.80 1se9 s LEU 14 N 1.28 2.66 0.53 -0.88 2.01 0.14 0.25 118.68 124.68 1se9 s LEU 14 Ca 0.03 1.26 0.31 0.00 0.01 0.00 0.00 54.13 55.74 1se9 s LEU 14 Cb -0.14 -3.92 1.40 0.00 0.01 0.00 0.00 46.19 43.54 1se9 s LEU 14 CO -0.10 -1.83 2.01 0.74 1.01 0.00 0.00 176.35 178.17 1se9 h THR 15 N -1.00 0.28 0.00 5.49 2.02 -1.62 -2.46 112.91 115.62 1se9 h THR 15 Ca -0.47 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1se9 h THR 15 Cb 1.27 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1se9 h THR 15 CO 0.60 0.08 0.00 0.47 0.37 0.00 0.00 175.52 177.05 1se9 n ASP 16 N -3.30 0.00 0.00 4.18 9.92 -1.26 -4.85 116.55 121.24 1se9 n ASP 16 Ca -0.01 -0.65 0.00 0.00 -0.53 0.00 0.00 54.79 53.61 1se9 n ASP 16 Cb 0.29 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 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 1.07 0.69 3.81 0.44 0.00 -0.93 -5.05 105.19 105.21 1se9 n GLY 17 Ca 0.20 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 5.65 0.10 1.61 0.01 -1.26 -4.95 113.70 112.63 1se9 s SER 18 Ca 0.00 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.29 1se9 s SER 18 Cb 0.00 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 1se9 s SER 18 CO 0.00 0.14 -0.09 1.51 0.41 0.00 0.00 173.24 175.21 1se9 s ASP 19 N -2.65 1.36 -0.06 2.44 -4.77 -1.26 0.26 116.67 111.98 1se9 s ASP 19 Ca 0.31 -0.85 0.01 0.00 -3.30 0.00 0.00 52.55 48.72 1se9 s ASP 19 Cb -0.12 0.03 -0.03 0.00 -1.09 0.00 0.00 42.92 41.71 1se9 s ASP 19 CO 0.23 -0.31 -0.07 -0.63 0.70 0.00 0.00 175.17 175.10 1se9 s ILE 20 N -2.68 3.71 0.50 2.11 1.01 0.13 -4.98 121.20 121.00 1se9 s ILE 20 Ca 0.06 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 1se9 s ILE 20 Cb -0.01 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.86 1se9 s ILE 20 CO -0.01 0.58 1.14 0.61 0.00 0.00 0.00 174.94 177.26 1se9 n GLY 21 N 2.15 0.18 3.76 6.18 0.00 -1.26 -2.90 105.19 113.29 1se9 n GLY 21 Ca -0.18 0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.45 3.54 0.05 1.61 0.04 -1.26 -4.65 135.00 131.88 1se9 s PRO 22 Ca 0.68 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.70 1se9 s PRO 22 Cb -0.47 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1se9 s PRO 22 CO 0.53 -0.79 -0.07 0.21 0.04 0.00 0.00 177.00 176.92 1se9 s LYS 23 N -2.75 0.58 -0.13 4.56 2.36 -0.41 -4.89 119.74 119.06 1se9 s LYS 23 Ca 0.66 -0.91 -0.21 0.00 -2.55 0.00 0.00 55.97 52.96 1se9 s LYS 23 Cb -0.34 -0.20 -0.03 0.00 -1.05 0.00 0.00 37.83 36.22 1se9 s LYS 23 CO 0.40 0.01 0.60 0.00 1.55 0.00 0.00 175.35 177.92 1se9 s ALA 24 N -2.09 3.45 -0.02 3.13 0.00 -1.26 -0.49 121.76 124.48 1se9 s ALA 24 Ca -0.04 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 51.86 1se9 s ALA 24 Cb -0.05 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1se9 s ALA 24 CO -0.02 -0.23 -0.17 -0.06 0.00 0.00 0.00 175.76 175.29 1se9 s PHE 25 N 1.13 1.55 0.23 0.00 0.40 0.17 -4.88 117.98 116.59 1se9 s PHE 25 Ca 0.31 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.00 1se9 s PHE 25 Cb -0.16 -1.01 -0.10 0.00 0.51 0.00 0.00 43.02 42.25 1se9 s PHE 25 CO 0.13 -0.06 1.47 -2.14 0.70 0.00 0.00 175.22 175.31 1se9 s PRO 26 N -0.28 4.25 0.23 0.24 0.02 -1.26 -0.44 135.00 137.76 1se9 s PRO 26 Ca 0.04 2.32 0.22 0.00 0.02 0.00 0.00 61.00 63.59 1se9 s PRO 26 Cb -0.08 -3.12 0.93 0.00 0.02 0.00 0.00 34.50 32.26 1se9 s PRO 26 CO 0.00 -0.46 1.66 -0.40 -0.33 0.00 0.00 177.00 177.47 1se9 n ASP 27 N 2.62 0.55 -0.01 2.53 5.75 -1.26 -0.93 116.55 125.81 1se9 n ASP 27 Ca 0.08 0.65 0.15 0.00 -0.01 0.00 0.00 54.79 55.67 1se9 n ASP 27 Cb 0.40 -0.76 0.85 0.00 -1.03 0.00 0.00 41.12 40.58 1se9 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1se9 n ALA 28 N -1.73 2.60 -1.78 2.12 0.00 -1.26 0.18 120.51 120.64 1se9 n ALA 28 Ca 0.02 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1se9 n ALA 28 Cb 0.19 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1se9 n ALA 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1se9 s THR 29 N -2.27 3.33 0.52 0.00 -1.32 -0.11 -4.58 115.64 111.22 1se9 s THR 29 Ca 0.39 0.99 -0.22 0.00 -1.21 0.00 0.00 61.69 61.64 1se9 s THR 29 Cb 0.21 -3.49 -0.06 0.00 -1.51 0.00 0.00 72.50 67.65 1se9 s THR 29 CO 0.41 -0.02 1.28 0.42 -2.21 0.00 0.00 174.62 174.50 1se9 s THR 30 N -1.61 2.46 0.37 5.08 -4.23 -1.26 -0.84 115.64 115.60 1se9 s THR 30 Ca 0.62 0.34 0.23 0.00 -1.18 0.00 0.00 61.69 61.70 1se9 s THR 30 Cb -0.26 -3.17 0.24 0.00 1.34 0.00 0.00 72.50 70.65 1se9 s THR 30 CO 0.31 -0.01 1.99 0.58 -0.54 0.00 0.00 174.62 176.95 1se9 h VAL 31 N 1.56 0.75 0.05 2.29 2.07 -0.60 -1.50 116.25 120.87 1se9 h VAL 31 Ca -0.50 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1se9 h VAL 31 Cb 1.28 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1se9 h VAL 31 CO 0.58 0.18 -0.03 -1.28 0.02 0.00 0.00 177.57 177.04 1se9 h SER 32 N 0.00 -0.08 0.10 0.57 0.87 -1.66 0.73 113.55 114.08 1se9 h SER 32 Ca -0.00 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 1se9 h SER 32 Cb 0.45 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1se9 h SER 32 CO 0.02 -0.05 -0.25 0.00 -0.53 0.00 0.00 176.83 176.02 1se9 h ALA 33 N 0.87 1.31 0.05 6.23 0.00 -1.71 0.29 119.26 126.31 1se9 h ALA 33 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1se9 h ALA 33 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1se9 h ALA 33 CO 0.00 0.47 -0.02 1.25 0.00 0.00 0.00 179.25 180.95 1se9 h LEU 34 N 0.24 -0.06 -0.19 0.00 5.85 -0.93 -0.69 115.31 119.53 1se9 h LEU 34 Ca 0.04 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.50 1se9 h LEU 34 Cb 0.57 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1se9 h LEU 34 CO 0.04 0.07 -0.47 0.50 -0.34 0.00 0.00 178.44 178.24 1se9 h LYS 35 N -0.18 0.65 -0.37 1.25 3.64 -0.47 -2.83 116.57 118.26 1se9 h LYS 35 Ca -0.01 -0.45 0.10 0.00 -1.27 0.00 0.00 60.65 59.02 1se9 h LYS 35 Cb 0.16 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1se9 h LYS 35 CO 0.01 1.07 0.26 0.93 -2.27 0.00 0.00 179.45 179.45 1se9 h GLU 36 N 0.33 0.06 -0.40 1.90 4.39 -0.38 0.92 114.58 121.40 1se9 h GLU 36 Ca -0.01 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1se9 h GLU 36 Cb 1.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1se9 h GLU 36 CO 0.10 0.04 0.07 1.15 -1.16 0.00 0.00 179.01 179.21 1se9 h THR 37 N 0.06 1.24 -0.28 1.13 2.02 -0.87 0.15 112.91 116.36 1se9 h THR 37 Ca 0.17 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 1se9 h THR 37 Cb 0.61 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1se9 h THR 37 CO -0.01 0.29 -0.33 1.62 0.37 0.00 0.00 175.52 177.46 1se9 h VAL 38 N 0.51 1.29 -0.66 3.16 3.04 -0.81 0.23 116.25 123.00 1se9 h VAL 38 Ca 0.12 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 64.31 1se9 h VAL 38 Cb 0.36 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 1se9 h VAL 38 CO 0.01 0.47 0.24 0.40 -1.01 0.00 0.00 177.57 177.67 1se9 h ILE 39 N 0.51 1.24 -0.19 3.17 1.08 -0.81 0.16 117.51 122.66 1se9 h ILE 39 Ca 0.06 -0.78 -0.21 0.00 -0.39 0.00 0.00 64.86 63.53 1se9 h ILE 39 Cb 0.82 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1se9 h ILE 39 CO 0.07 0.31 -0.72 0.28 -0.69 0.00 0.00 178.15 177.40 1se9 h SER 40 N 0.96 0.95 -0.13 1.72 0.02 -0.36 -3.17 113.55 113.54 1se9 h SER 40 Ca 0.22 -0.59 -0.08 0.00 -0.84 0.00 0.00 61.79 60.50 1se9 h SER 40 Cb 0.23 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1se9 h SER 40 CO -0.01 1.39 -0.15 -0.33 -1.14 0.00 0.00 176.83 176.59 1se9 h GLU 41 N 0.58 0.51 -6.41 3.45 4.39 -0.66 -3.43 114.58 113.01 1se9 h GLU 41 Ca -0.03 -0.16 -0.53 0.00 0.34 0.00 0.00 59.36 58.98 1se9 h GLU 41 Cb 1.34 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1se9 h GLU 41 CO 0.15 0.65 1.13 -0.46 -1.16 0.00 0.00 179.01 179.32 1se9 s TRP 42 N -4.69 1.88 0.33 4.33 -0.11 0.02 -4.89 118.94 115.81 1se9 s TRP 42 Ca -0.07 -0.07 -0.28 0.00 1.22 0.00 0.00 56.10 56.89 1se9 s TRP 42 Cb 0.14 -4.12 -0.13 0.00 -1.50 0.00 0.00 33.47 27.87 1se9 s TRP 42 CO 0.78 -4.76 1.25 -2.30 -4.62 0.00 0.00 176.95 167.30 1se9 n PRO 43 N 6.50 2.02 0.25 5.86 -0.02 -1.26 -4.88 135.00 143.47 1se9 n PRO 43 Ca 0.18 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.50 1se9 n PRO 43 Cb 0.40 -2.26 0.61 0.00 -0.02 0.00 0.00 33.50 32.23 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 2.51 0.00 0.00 -0.52 -0.00 -1.91 -1.84 114.38 112.63 1se9 h ARG 44 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.47 1se9 h ARG 44 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.25 1se9 h ARG 44 CO 0.63 0.14 -0.26 1.49 -0.00 0.00 0.00 179.97 181.97 1se9 h GLU 45 N 0.00 0.00 -6.75 0.08 4.81 -2.01 -3.45 114.58 107.26 1se9 h GLU 45 Ca -0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 1se9 h GLU 45 Cb 0.56 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.95 1se9 h GLU 45 CO 0.02 0.26 0.49 0.21 -0.73 0.00 0.00 179.01 179.26 1se9 s LYS 46 N -3.47 4.61 0.50 1.92 2.47 -0.69 -4.98 119.74 120.10 1se9 s LYS 46 Ca 0.02 1.80 -0.22 0.00 -1.56 0.00 0.00 55.97 56.01 1se9 s LYS 46 Cb 0.09 -3.21 -0.09 0.00 -1.46 0.00 0.00 37.83 33.16 1se9 s LYS 46 CO 0.66 0.14 0.92 0.39 0.16 0.00 0.00 175.35 177.62 1se9 n GLU 47 N 1.63 1.08 -1.77 4.03 4.71 -1.26 -4.81 120.64 124.24 1se9 n GLU 47 Ca 0.00 0.40 -0.41 0.00 -0.01 0.00 0.00 57.16 57.14 1se9 n GLU 47 Cb 0.45 -2.02 -0.00 0.00 -1.01 0.00 0.00 31.44 28.85 1se9 n GLU 47 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1se9 n ASN 48 N 0.13 5.13 0.00 1.62 5.03 -1.26 -4.51 115.26 121.40 1se9 n ASN 48 Ca 0.11 -2.85 0.00 0.00 0.87 0.00 0.00 54.58 52.71 1se9 n ASN 48 Cb 0.43 -1.60 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 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 3.67 -0.29 3.56 7.41 0.00 -1.26 -4.33 105.19 113.95 1se9 n GLY 49 Ca 0.55 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.73 1.89 -0.08 1.61 0.02 -1.26 -4.45 135.00 132.00 1se9 s PRO 50 Ca 0.00 0.81 -0.07 0.00 0.02 0.00 0.00 61.00 61.76 1se9 s PRO 50 Cb 0.00 -4.71 -0.02 0.00 0.02 0.00 0.00 34.50 29.79 1se9 s PRO 50 CO 0.00 -3.86 -0.13 1.17 -0.33 0.00 0.00 177.00 173.85 1se9 n LYS 51 N 8.92 0.26 -4.41 5.54 4.81 -1.26 -5.04 118.16 126.98 1se9 n LYS 51 Ca 0.41 0.29 -0.20 0.00 -0.87 0.00 0.00 58.31 57.94 1se9 n LYS 51 Cb 0.48 -1.16 -0.10 0.00 0.02 0.00 0.00 35.03 34.27 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 -1.81 0.75 0.56 3.15 -4.23 -1.26 -5.01 115.64 107.79 1se9 s THR 52 Ca -0.11 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.64 1se9 s THR 52 Cb 0.01 -2.61 0.33 0.00 1.34 0.00 0.00 72.50 71.58 1se9 s THR 52 CO 0.16 0.00 2.15 1.62 -0.54 0.00 0.00 174.62 178.01 1se9 h VAL 53 N 2.14 0.70 0.02 2.29 3.04 -1.92 -1.71 116.25 120.80 1se9 h VAL 53 Ca -0.38 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.05 1se9 h VAL 53 Cb 1.25 0.92 0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1se9 h VAL 53 CO 0.62 0.00 -1.07 0.50 -1.01 0.00 0.00 177.57 176.61 1se9 h LYS 54 N 0.00 0.65 0.00 4.17 3.64 -2.01 -3.33 116.57 119.69 1se9 h LYS 54 Ca 0.06 -0.73 -0.15 0.00 -1.27 0.00 0.00 60.65 58.56 1se9 h LYS 54 Cb 0.26 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1se9 h LYS 54 CO -0.00 1.31 -0.70 0.93 -2.27 0.00 0.00 179.45 178.72 1se9 h GLU 55 N 0.36 0.00 -5.79 1.90 4.39 -1.70 -3.44 114.58 110.30 1se9 h GLU 55 Ca -0.13 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.94 1se9 h GLU 55 Cb 1.72 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.30 1se9 h GLU 55 CO 0.21 0.70 -0.31 0.08 -1.16 0.00 0.00 179.01 178.53 1se9 s VAL 56 N -2.93 5.23 0.03 3.13 1.01 -0.73 -4.09 120.40 122.06 1se9 s VAL 56 Ca 0.02 0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.64 1se9 s VAL 56 Cb 0.09 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1se9 s VAL 56 CO 0.77 0.55 -0.09 -0.54 0.00 0.00 0.00 175.10 175.79 1se9 s LYS 57 N -0.72 2.39 -0.16 2.72 1.02 -1.11 -4.86 119.74 119.02 1se9 s LYS 57 Ca 0.20 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.37 1se9 s LYS 57 Cb -0.14 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1se9 s LYS 57 CO 0.08 0.57 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.72 1se9 s LEU 58 N -1.60 2.20 -0.05 3.17 1.98 -1.26 -0.49 118.68 122.63 1se9 s LEU 58 Ca 0.18 -0.60 0.05 0.00 -2.89 0.00 0.00 54.13 50.87 1se9 s LEU 58 Cb -0.11 -1.49 -0.01 0.00 0.66 0.00 0.00 46.19 45.25 1se9 s LEU 58 CO 0.09 0.04 -0.21 -0.63 -1.89 0.00 0.00 176.35 173.75 1se9 s ILE 59 N 1.04 1.76 -0.03 6.68 1.01 0.95 -1.16 121.20 131.45 1se9 s ILE 59 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1se9 s ILE 59 Cb -0.14 -1.50 0.03 0.00 0.01 0.00 0.00 42.46 40.85 1se9 s ILE 59 CO -0.06 0.50 0.01 -0.55 0.00 0.00 0.00 174.94 174.84 1se9 s SER 60 N -0.05 0.32 -1.55 3.58 0.15 -0.15 -0.18 113.70 115.81 1se9 s SER 60 Ca -0.04 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1se9 s SER 60 Cb -0.13 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1se9 s SER 60 CO 0.03 -0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.36 1se9 n ALA 61 N 4.20 -0.39 -1.35 5.45 0.00 -1.26 -1.78 120.51 125.38 1se9 n ALA 61 Ca -0.26 0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 1se9 n ALA 61 Cb 0.50 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.99 0.64 3.15 0.00 0.00 -1.26 -5.03 105.19 101.71 1se9 n GLY 62 Ca -0.18 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.81 1.20 -0.19 1.61 2.20 -0.73 -5.11 119.74 115.91 1se9 s LYS 63 Ca 0.00 -0.67 -0.22 0.00 -0.36 0.00 0.00 55.97 54.72 1se9 s LYS 63 Cb 0.00 -1.19 -0.02 0.00 -1.51 0.00 0.00 37.83 35.10 1se9 s LYS 63 CO 0.00 0.32 0.70 0.08 -0.36 0.00 0.00 175.35 176.08 1se9 s VAL 64 N -0.56 4.98 -0.34 4.02 1.01 -1.26 -0.98 120.40 127.26 1se9 s VAL 64 Ca 0.05 1.33 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 1se9 s VAL 64 Cb -0.07 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1se9 s VAL 64 CO 0.00 0.09 0.56 -1.48 0.00 0.00 0.00 175.10 174.27 1se9 s LEU 65 N 1.96 4.29 0.21 3.92 2.34 -0.31 -4.99 118.68 126.10 1se9 s LEU 65 Ca 0.32 0.09 -0.30 0.00 0.06 0.00 0.00 54.13 54.30 1se9 s LEU 65 Cb -0.16 -2.67 -0.08 0.00 -0.56 0.00 0.00 46.19 42.72 1se9 s LEU 65 CO 0.11 -0.50 1.09 -1.61 -1.06 0.00 0.00 176.35 174.38 1se9 s GLU 66 N 2.50 4.62 0.64 1.48 2.02 -1.26 -4.54 118.70 124.16 1se9 s GLU 66 Ca 0.21 1.73 0.40 0.00 0.02 0.00 0.00 54.97 57.33 1se9 s GLU 66 Cb -0.15 -3.25 2.22 0.00 0.10 0.00 0.00 34.13 33.05 1se9 s GLU 66 CO 0.13 0.14 2.33 -2.95 0.02 0.00 0.00 175.26 174.94 1se9 h ASN 67 N 4.65 0.00 0.54 -0.19 -1.07 -1.96 -0.75 115.58 116.81 1se9 h ASN 67 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1se9 h ASN 67 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1se9 h ASN 67 CO 0.70 0.00 -0.11 -1.54 0.07 0.00 0.00 177.43 176.56 1se9 n SER 68 N -3.35 0.28 -4.82 6.14 3.41 -1.26 -2.38 113.62 111.64 1se9 n SER 68 Ca -0.03 -0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.12 1se9 n SER 68 Cb 0.08 -0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1se9 n SER 68 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1se9 s LYS 69 N -2.65 2.64 0.30 4.33 1.02 -0.29 -4.97 119.74 120.13 1se9 s LYS 69 Ca 0.24 -1.35 0.07 0.00 0.02 0.00 0.00 55.97 54.94 1se9 s LYS 69 Cb 0.20 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1se9 s LYS 69 CO 0.51 0.10 0.34 0.95 -0.92 0.00 0.00 175.35 176.33 1se9 s THR 70 N -2.33 4.15 0.30 2.17 -4.23 -1.26 -0.02 115.64 114.42 1se9 s THR 70 Ca 0.40 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 1se9 s THR 70 Cb -0.05 -3.40 0.12 0.00 1.34 0.00 0.00 72.50 70.50 1se9 s THR 70 CO 0.26 -0.23 1.80 0.58 -0.54 0.00 0.00 174.62 176.49 1se9 h VAL 71 N 1.17 1.23 -0.95 2.29 2.07 -0.83 -2.16 116.25 119.07 1se9 h VAL 71 Ca -0.47 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.17 1se9 h VAL 71 Cb 1.25 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1se9 h VAL 71 CO 0.57 0.33 0.61 0.11 0.02 0.00 0.00 177.57 179.21 1se9 h LYS 72 N 0.54 0.94 0.00 1.57 1.79 -0.51 0.19 116.57 121.08 1se9 h LYS 72 Ca 0.10 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 1se9 h LYS 72 Cb 0.46 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1se9 h LYS 72 CO 0.02 0.62 -0.34 0.22 -1.08 0.00 0.00 179.45 178.89 1se9 h ASP 73 N 0.96 0.00 1.42 0.86 3.58 -1.72 -2.71 116.42 118.82 1se9 h ASP 73 Ca 0.45 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 1se9 h ASP 73 Cb 0.41 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1se9 h ASP 73 CO -0.21 0.34 -0.59 0.22 -2.88 0.00 0.00 179.24 176.13 1se9 h TYR 74 N 0.00 0.00 -1.72 0.28 3.20 -0.70 -3.46 116.97 114.57 1se9 h TYR 74 Ca -0.00 0.00 -0.45 0.00 3.14 0.00 0.00 58.73 61.42 1se9 h TYR 74 Cb 1.02 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.33 1se9 h TYR 74 CO 0.00 0.04 -0.09 1.03 -1.64 0.00 0.00 178.16 177.50 1se9 s ARG 75 N -3.27 2.41 -0.12 1.82 1.81 0.56 -5.08 118.95 117.08 1se9 s ARG 75 Ca 0.03 -1.19 0.00 0.00 -1.72 0.00 0.00 55.73 52.85 1se9 s ARG 75 Cb 0.08 -2.58 -0.02 0.00 -0.45 0.00 0.00 34.95 31.98 1se9 s ARG 75 CO 0.74 -0.76 -0.13 -1.12 -0.68 0.00 0.00 175.30 173.35 1se9 s SER 76 N -4.52 4.02 0.04 0.23 0.01 -1.26 -4.91 113.70 107.32 1se9 s SER 76 Ca 0.59 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 57.25 1se9 s SER 76 Cb -0.08 -1.50 -0.08 0.00 0.21 0.00 0.00 66.02 64.57 1se9 s SER 76 CO 0.38 0.19 1.78 -2.84 0.41 0.00 0.00 173.24 173.16 1se9 s PRO 77 N 0.18 4.17 0.00 12.44 0.02 -1.26 -4.83 135.00 145.72 1se9 s PRO 77 Ca -0.08 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.38 1se9 s PRO 77 Cb -0.15 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.53 1se9 s PRO 77 CO 0.05 -0.84 0.00 1.55 -0.33 0.00 0.00 177.00 177.43 1se9 n VAL 78 N 5.12 0.00 -2.64 3.83 3.14 -1.26 -5.01 118.33 121.51 1se9 n VAL 78 Ca 0.18 -0.43 -0.19 0.00 -2.96 0.00 0.00 64.34 60.94 1se9 n VAL 78 Cb 0.41 0.99 0.01 0.00 -1.06 0.00 0.00 33.84 34.19 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1se9 n SER 79 N -0.88 -5.38 -3.77 6.55 2.88 -1.26 -4.98 113.62 106.77 1se9 n SER 79 Ca 0.00 -0.14 -0.13 0.00 -1.33 0.00 0.00 58.87 57.27 1se9 n SER 79 Cb 0.00 -4.33 -0.09 0.00 -0.75 0.00 0.00 64.21 59.04 1se9 n SER 79 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1se9 s ASN 80 N -2.48 -0.19 0.78 -3.46 2.47 -1.26 -5.16 114.94 105.63 1se9 s ASN 80 Ca 0.14 0.16 -0.04 0.00 0.42 0.00 0.00 52.86 53.54 1se9 s ASN 80 Cb -0.06 0.37 0.14 0.00 -1.45 0.00 0.00 41.25 40.25 1se9 s ASN 80 CO 0.17 -0.37 0.90 0.18 -3.72 0.00 0.00 177.10 174.26 1se9 n LEU 81 N 1.64 0.00 -3.46 3.21 7.99 -1.26 -5.10 117.00 120.01 1se9 n LEU 81 Ca -0.20 -1.55 -0.10 0.00 -0.01 0.00 0.00 56.01 54.16 1se9 n LEU 81 Cb 0.56 -0.62 -0.09 0.00 -0.11 0.00 0.00 43.42 43.16 1se9 n LEU 81 CO 0.21 -1.02 -0.04 0.00 -1.51 0.00 0.00 177.39 175.02 1se9 s ALA 82 N -3.38 -1.04 -0.24 -1.18 0.00 -1.26 -5.03 121.76 109.62 1se9 s ALA 82 Ca 0.56 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.54 1se9 s ALA 82 Cb -0.03 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1se9 s ALA 82 CO 0.38 -1.08 2.79 0.41 0.00 0.00 0.00 175.76 178.27 1se9 n GLY 83 N 5.37 3.69 3.61 0.00 0.00 -1.26 -4.86 105.19 111.75 1se9 n GLY 83 Ca -0.05 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.73 3.06 -0.05 4.61 0.00 -1.26 -5.10 121.76 122.29 1se9 s ALA 84 Ca 0.49 -1.42 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 1se9 s ALA 84 Cb 0.29 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1se9 s ALA 84 CO -0.09 0.48 0.73 0.08 0.00 0.00 0.00 175.76 176.96 1se9 s VAL 85 N -1.71 5.01 -0.33 0.00 1.01 -1.26 -4.62 120.40 118.49 1se9 s VAL 85 Ca 0.26 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.60 1se9 s VAL 85 Cb -0.09 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1se9 s VAL 85 CO 0.17 0.25 0.36 -0.89 0.00 0.00 0.00 175.10 174.99 1se9 s THR 86 N 0.75 5.17 -0.26 3.92 2.01 -0.21 -4.99 115.64 122.03 1se9 s THR 86 Ca 0.39 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 1se9 s THR 86 Cb -0.18 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 1se9 s THR 86 CO 0.19 -0.04 0.07 -0.89 -0.69 0.00 0.00 174.62 173.26 1se9 s THR 87 N 2.02 4.20 -0.02 -0.82 2.01 -1.26 -0.03 115.64 121.75 1se9 s THR 87 Ca 0.12 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1se9 s THR 87 Cb -0.16 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1se9 s THR 87 CO 0.11 0.26 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.17 1se9 s MET 88 N 1.58 2.53 -0.20 4.92 -1.94 -0.36 -4.92 119.30 120.91 1se9 s MET 88 Ca 0.05 -0.71 -0.19 0.00 -1.71 0.00 0.00 55.69 53.13 1se9 s MET 88 Cb -0.16 -2.46 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1se9 s MET 88 CO 0.03 0.61 0.54 -1.01 -0.01 0.00 0.00 175.02 175.18 1se9 s HIS 89 N -0.91 3.37 -0.24 -0.03 3.76 0.75 -0.46 115.29 121.53 1se9 s HIS 89 Ca 0.15 0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 55.71 1se9 s HIS 89 Cb -0.11 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 1se9 s HIS 89 CO 0.05 -0.12 0.38 0.08 -0.85 0.00 0.00 174.74 174.28 1se9 s VAL 90 N 1.71 5.19 -0.27 -0.90 1.01 0.14 -0.04 120.40 127.23 1se9 s VAL 90 Ca 0.25 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 1se9 s VAL 90 Cb -0.16 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1se9 s VAL 90 CO 0.10 0.20 0.26 -0.63 0.00 0.00 0.00 175.10 175.03 1se9 s ILE 91 N 1.74 5.26 -0.64 2.22 -1.09 0.36 -1.73 121.20 127.32 1se9 s ILE 91 Ca 0.16 0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 58.68 1se9 s ILE 91 Cb -0.15 -3.59 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 1se9 s ILE 91 CO 0.09 0.22 0.95 -0.63 -1.23 0.00 0.00 174.94 174.33 1se9 s ILE 92 N 1.86 4.35 -0.40 2.92 -1.09 -1.26 -2.74 121.20 124.84 1se9 s ILE 92 Ca 0.10 -0.30 -0.13 0.00 -2.23 0.00 0.00 60.65 58.09 1se9 s ILE 92 Cb -0.16 -4.65 0.03 0.00 -1.58 0.00 0.00 42.46 36.10 1se9 s ILE 92 CO 0.10 -1.40 0.26 -1.10 -1.23 0.00 0.00 174.94 171.58 1se9 s GLN 93 N 3.99 2.88 0.12 2.79 -1.52 -1.26 -5.04 119.66 121.62 1se9 s GLN 93 Ca 0.23 -1.09 -0.30 0.00 -1.95 0.00 0.00 55.36 52.24 1se9 s GLN 93 Cb -0.17 -3.86 -0.07 0.00 -0.22 0.00 0.00 33.01 28.70 1se9 s GLN 93 CO 0.11 -0.76 1.21 0.00 -0.25 0.00 0.00 175.29 175.61 1se9 s ALA 94 N 1.60 3.42 0.94 6.09 0.00 -1.26 -4.64 121.76 127.91 1se9 s ALA 94 Ca 0.03 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 1se9 s ALA 94 Cb -0.20 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.65 1se9 s ALA 94 CO 0.08 -0.41 1.14 -2.14 0.00 0.00 0.00 175.76 174.42 1se9 s PRO 95 N 0.52 0.83 -0.31 0.00 0.02 -1.26 -4.82 135.00 129.98 1se9 s PRO 95 Ca 0.57 1.52 -0.38 0.00 0.02 0.00 0.00 61.00 62.72 1se9 s PRO 95 Cb -0.31 -1.71 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 1se9 s PRO 95 CO 0.32 -2.76 1.96 1.55 -0.33 0.00 0.00 177.00 177.75 1se9 n VAL 96 N -4.32 0.26 -2.17 3.83 3.14 -1.26 -4.79 118.33 113.02 1se9 n VAL 96 Ca 0.11 -0.13 -0.42 0.00 -2.96 0.00 0.00 64.34 60.94 1se9 n VAL 96 Cb 0.52 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 1se9 n VAL 96 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1se9 n THR 97 N 5.80 4.05 0.00 1.55 -1.04 -1.26 -4.38 114.28 119.00 1se9 n THR 97 Ca 0.34 -3.96 0.00 0.00 -2.04 0.00 0.00 64.05 58.39 1se9 n THR 97 Cb 0.16 -2.44 0.00 0.00 -1.82 0.00 0.00 70.33 66.23 1se9 n THR 97 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1se9 n GLU 98 N 4.71 0.00 -2.58 -2.82 4.07 -1.26 -5.11 120.64 117.65 1se9 n GLU 98 Ca 0.44 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 57.13 1se9 n GLU 98 Cb 0.38 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.73 1se9 n GLU 98 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1se9 s LYS 99 N 0.00 3.56 0.77 5.31 2.20 -1.26 -4.98 119.74 125.33 1se9 s LYS 99 Ca 0.00 -1.09 -0.11 0.00 -0.36 0.00 0.00 55.97 54.41 1se9 s LYS 99 Cb 0.00 -5.23 0.05 0.00 -1.51 0.00 0.00 37.83 31.14 1se9 s LYS 99 CO 0.00 -2.18 1.10 -1.21 -0.36 0.00 0.00 175.35 172.70 1se9 s GLU 100 N 4.90 2.31 0.00 4.03 0.41 -1.26 -5.26 118.70 123.82 1se9 s GLU 100 Ca 0.44 0.61 0.20 0.00 -0.41 0.00 0.00 54.97 55.82 1se9 s GLU 100 Cb -0.01 -1.95 0.16 0.00 -1.78 0.00 0.00 34.13 30.56 1se9 s GLU 100 CO -0.08 -1.46 1.15 1.63 -0.49 0.00 0.00 175.26 176.01