#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 2.70 -0.36 0.62 0.00 -1.26 -4.24 121.76 119.23 1se9 s ALA 2 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.20 1se9 s ALA 2 Cb 0.00 -4.12 0.04 0.00 0.00 0.00 0.00 23.12 19.04 1se9 s ALA 2 CO 0.00 -3.05 0.51 -0.85 0.00 0.00 0.00 175.76 172.37 1se9 n GLU 3 N 8.70 -1.73 -2.75 0.00 0.28 -1.26 -4.90 120.64 118.98 1se9 n GLU 3 Ca 0.16 1.44 -0.42 0.00 -0.16 0.00 0.00 57.16 58.18 1se9 n GLU 3 Cb 0.49 -2.39 -0.03 0.00 1.43 0.00 0.00 31.44 30.94 1se9 n GLU 3 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1se9 s VAL 4 N -1.52 4.88 -0.04 3.84 0.11 -1.26 -4.88 120.40 121.53 1se9 s VAL 4 Ca 0.28 1.97 0.24 0.00 -2.93 0.00 0.00 61.98 61.54 1se9 s VAL 4 Cb -0.03 -4.28 0.43 0.00 -1.53 0.00 0.00 36.38 30.97 1se9 s VAL 4 CO 0.69 0.15 1.17 0.00 -3.33 0.00 0.00 175.10 173.78 1se9 n HIS 5 N 4.06 0.10 -2.13 1.54 1.44 -1.26 -5.03 115.22 113.94 1se9 n HIS 5 Ca 0.05 -0.73 -0.33 0.00 -2.01 0.00 0.00 57.72 54.71 1se9 n HIS 5 Cb 0.51 -0.17 -0.04 0.00 0.12 0.00 0.00 29.99 30.41 1se9 n HIS 5 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1se9 s ASN 6 N -2.27 5.38 0.01 4.39 3.04 -1.26 -4.92 114.94 119.31 1se9 s ASN 6 Ca 0.34 -0.44 0.00 0.00 0.04 0.00 0.00 52.86 52.81 1se9 s ASN 6 Cb 0.38 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.54 1se9 s ASN 6 CO -0.15 -2.45 0.00 0.00 -3.04 0.00 0.00 177.10 171.46 1se9 n GLN 7 N 8.99 2.23 -3.37 0.43 6.02 -1.26 -4.98 117.38 125.44 1se9 n GLN 7 Ca 0.31 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.92 1se9 n GLN 7 Cb 0.49 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.68 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1se9 s LEU 8 N 0.00 4.18 -0.09 1.08 1.02 0.43 -4.78 118.68 120.51 1se9 s LEU 8 Ca 0.00 0.57 -0.19 0.00 0.02 0.00 0.00 54.13 54.53 1se9 s LEU 8 Cb 0.00 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1se9 s LEU 8 CO 0.00 -0.07 0.52 -1.61 0.02 0.00 0.00 176.35 175.21 1se9 s GLU 9 N 1.20 4.32 0.00 1.70 2.02 -1.21 -0.04 118.70 126.70 1se9 s GLU 9 Ca 0.20 0.54 0.08 0.00 0.02 0.00 0.00 54.97 55.81 1se9 s GLU 9 Cb -0.15 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 1se9 s GLU 9 CO 0.08 0.21 -0.25 0.42 0.02 0.00 0.00 175.26 175.74 1se9 s ILE 10 N 0.43 1.97 0.15 -1.63 1.01 0.19 0.11 121.20 123.43 1se9 s ILE 10 Ca 0.28 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 59.84 1se9 s ILE 10 Cb -0.16 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1se9 s ILE 10 CO 0.12 0.48 -0.12 -1.59 0.00 0.00 0.00 174.94 173.83 1se9 s LYS 11 N -0.79 1.10 -0.03 2.79 -2.85 0.47 -1.14 119.74 119.29 1se9 s LYS 11 Ca 0.10 -1.42 0.06 0.00 -1.00 0.00 0.00 55.97 53.71 1se9 s LYS 11 Cb -0.10 -0.81 -0.02 0.00 -2.06 0.00 0.00 37.83 34.85 1se9 s LYS 11 CO 0.00 0.13 -0.20 -0.06 0.10 0.00 0.00 175.35 175.32 1se9 s PHE 12 N -2.91 2.52 -0.14 1.78 0.08 -1.25 -1.60 117.98 116.47 1se9 s PHE 12 Ca 0.16 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.91 1se9 s PHE 12 Cb -0.00 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 1se9 s PHE 12 CO 0.03 0.08 -0.13 1.03 -0.10 0.00 0.00 175.22 176.13 1se9 s ARG 13 N -0.69 3.35 0.90 0.44 0.52 -0.12 -0.37 118.95 122.99 1se9 s ARG 13 Ca 0.11 -0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 54.49 1se9 s ARG 13 Cb -0.10 -2.65 0.14 0.00 0.52 0.00 0.00 34.95 32.85 1se9 s ARG 13 CO -0.00 0.15 1.22 -0.51 0.02 0.00 0.00 175.30 176.18 1se9 s LEU 14 N 0.51 2.42 0.56 2.53 1.02 0.13 0.73 118.68 126.59 1se9 s LEU 14 Ca -0.09 0.61 0.32 0.00 0.02 0.00 0.00 54.13 54.99 1se9 s LEU 14 Cb -0.16 -2.88 1.63 0.00 0.02 0.00 0.00 46.19 44.80 1se9 s LEU 14 CO 0.04 -2.40 2.12 0.00 0.02 0.00 0.00 176.35 176.13 1se9 h THR 15 N -1.40 0.36 -0.00 5.49 1.03 -1.79 -0.70 112.91 115.90 1se9 h THR 15 Ca -0.46 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 1se9 h THR 15 Cb 1.29 1.30 0.00 0.00 -1.07 0.00 0.00 68.15 69.67 1se9 h THR 15 CO 0.54 0.07 -0.00 -0.67 -0.01 0.00 0.00 175.52 175.45 1se9 n ASP 16 N -3.45 0.00 0.00 0.00 2.03 -1.26 -4.89 116.55 108.98 1se9 n ASP 16 Ca -0.02 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1se9 n ASP 16 Cb 0.21 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 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 1.44 0.76 3.82 0.27 0.00 -0.27 -5.04 105.19 106.17 1se9 n GLY 17 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1se9 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1se9 s SER 18 N -2.66 7.03 0.25 1.61 1.04 -1.26 -4.78 113.70 114.92 1se9 s SER 18 Ca 0.00 1.56 0.11 0.00 0.48 0.00 0.00 55.95 58.10 1se9 s SER 18 Cb 0.00 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 1se9 s SER 18 CO 0.00 -0.15 -0.19 1.51 0.98 0.00 0.00 173.24 175.39 1se9 s ASP 19 N -1.93 3.68 -0.08 7.02 -4.77 -1.26 0.21 116.67 119.54 1se9 s ASP 19 Ca 0.52 -0.92 -0.02 0.00 -3.30 0.00 0.00 52.55 48.83 1se9 s ASP 19 Cb -0.14 -0.37 -0.03 0.00 -1.09 0.00 0.00 42.92 41.29 1se9 s ASP 19 CO 0.19 0.06 0.03 -0.63 0.70 0.00 0.00 175.17 175.52 1se9 s ILE 20 N -2.20 4.51 0.16 2.11 1.01 0.50 -4.98 121.20 122.31 1se9 s ILE 20 Ca 0.27 -0.22 -0.34 0.00 0.00 0.00 0.00 60.65 60.36 1se9 s ILE 20 Cb -0.06 -2.93 -0.15 0.00 0.01 0.00 0.00 42.46 39.33 1se9 s ILE 20 CO 0.14 0.57 1.43 0.61 0.00 0.00 0.00 174.94 177.69 1se9 n GLY 21 N 1.99 0.75 3.76 6.18 0.00 -1.26 -3.75 105.19 112.86 1se9 n GLY 21 Ca -0.18 0.62 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 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 0.39 3.36 0.14 1.61 0.04 -1.26 -4.84 135.00 134.45 1se9 s PRO 22 Ca 0.78 2.15 0.05 0.00 0.04 0.00 0.00 61.00 64.02 1se9 s PRO 22 Cb -0.77 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1se9 s PRO 22 CO 0.44 -0.98 -0.11 0.21 0.04 0.00 0.00 177.00 176.60 1se9 s LYS 23 N -2.79 1.06 -0.20 4.56 2.20 -0.30 -4.91 119.74 119.37 1se9 s LYS 23 Ca 0.68 -1.40 -0.20 0.00 -0.36 0.00 0.00 55.97 54.69 1se9 s LYS 23 Cb -0.38 -0.70 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 1se9 s LYS 23 CO 0.46 0.10 0.59 0.00 -0.36 0.00 0.00 175.35 176.14 1se9 s ALA 24 N -3.03 3.54 0.12 3.13 0.00 -1.26 -0.63 121.76 123.63 1se9 s ALA 24 Ca 0.15 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.87 1se9 s ALA 24 Cb 0.01 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1se9 s ALA 24 CO 0.01 -0.50 -0.17 -0.06 0.00 0.00 0.00 175.76 175.04 1se9 s PHE 25 N 1.78 1.60 0.36 0.00 0.40 0.94 -4.91 117.98 118.16 1se9 s PHE 25 Ca 0.27 -0.48 -0.26 0.00 -0.60 0.00 0.00 56.93 55.85 1se9 s PHE 25 Cb -0.16 -0.84 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 1se9 s PHE 25 CO 0.10 0.21 1.14 -2.14 0.70 0.00 0.00 175.22 175.23 1se9 s PRO 26 N -2.42 4.25 0.30 0.24 0.02 -1.26 -0.43 135.00 135.69 1se9 s PRO 26 Ca 0.09 1.80 0.09 0.00 0.02 0.00 0.00 61.00 63.01 1se9 s PRO 26 Cb -0.07 -2.81 0.45 0.00 0.02 0.00 0.00 34.50 32.09 1se9 s PRO 26 CO 0.04 -0.14 1.68 0.22 -0.33 0.00 0.00 177.00 178.47 1se9 h ASP 27 N 2.97 0.10 -0.10 2.53 3.58 -1.97 -2.43 116.42 121.10 1se9 h ASP 27 Ca -0.48 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 56.92 1se9 h ASP 27 Cb 1.22 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1se9 h ASP 27 CO 0.64 0.59 0.00 0.00 -2.88 0.00 0.00 179.24 177.59 1se9 n ALA 28 N -2.45 2.54 -1.78 -0.78 0.00 -1.26 0.24 120.51 117.02 1se9 n ALA 28 Ca -0.02 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.85 1se9 n ALA 28 Cb 0.53 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.69 3.60 0.63 0.00 -1.32 -0.92 -4.72 115.64 111.22 1se9 s THR 29 Ca 0.07 1.24 -0.16 0.00 -1.21 0.00 0.00 61.69 61.62 1se9 s THR 29 Cb 0.04 -3.64 -0.02 0.00 -1.51 0.00 0.00 72.50 67.37 1se9 s THR 29 CO 0.04 0.02 1.13 0.42 -2.21 0.00 0.00 174.62 174.01 1se9 s THR 30 N -1.62 3.13 0.45 5.08 -4.23 -1.26 -0.75 115.64 116.44 1se9 s THR 30 Ca 0.58 0.58 0.14 0.00 -1.18 0.00 0.00 61.69 61.82 1se9 s THR 30 Cb -0.24 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.66 1se9 s THR 30 CO 0.29 -0.27 2.00 0.58 -0.54 0.00 0.00 174.62 176.68 1se9 h VAL 31 N 0.37 1.12 -0.03 2.29 2.07 -0.21 0.39 116.25 122.25 1se9 h VAL 31 Ca -0.48 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1se9 h VAL 31 Cb 1.26 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1se9 h VAL 31 CO 0.55 0.17 0.01 -1.28 0.02 0.00 0.00 177.57 177.04 1se9 h SER 32 N 0.02 0.04 0.34 0.57 0.87 -1.48 0.22 113.55 114.12 1se9 h SER 32 Ca 0.00 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1se9 h SER 32 Cb 0.30 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1se9 h SER 32 CO 0.02 0.14 -0.37 0.00 -0.53 0.00 0.00 176.83 176.09 1se9 h ALA 33 N 0.89 1.33 -0.27 6.23 0.00 -1.71 0.15 119.26 125.88 1se9 h ALA 33 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1se9 h ALA 33 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1se9 h ALA 33 CO -0.00 0.49 0.15 1.25 0.00 0.00 0.00 179.25 181.14 1se9 h LEU 34 N 0.05 0.34 -0.35 0.00 5.85 -0.65 -0.58 115.31 119.98 1se9 h LEU 34 Ca 0.00 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.45 1se9 h LEU 34 Cb 0.69 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1se9 h LEU 34 CO 0.05 0.33 -0.63 0.11 -0.34 0.00 0.00 178.44 177.96 1se9 h LYS 35 N 0.32 0.70 -0.95 1.25 1.57 -0.42 -0.95 116.57 118.09 1se9 h LYS 35 Ca 0.10 -0.49 0.09 0.00 -1.87 0.00 0.00 60.65 58.48 1se9 h LYS 35 Cb 0.06 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1se9 h LYS 35 CO -0.02 1.11 0.59 0.93 -0.57 0.00 0.00 179.45 181.50 1se9 h GLU 36 N 0.51 0.99 -0.14 3.15 4.39 -0.53 0.06 114.58 123.01 1se9 h GLU 36 Ca -0.01 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1se9 h GLU 36 Cb 1.22 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1se9 h GLU 36 CO 0.13 0.65 -0.10 1.15 -1.16 0.00 0.00 179.01 179.67 1se9 h THR 37 N 1.02 1.34 -0.84 1.13 2.02 -0.83 -2.55 112.91 114.20 1se9 h THR 37 Ca 0.44 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1se9 h THR 37 Cb 0.31 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 1se9 h THR 37 CO -0.22 0.35 0.48 1.62 0.37 0.00 0.00 175.52 178.12 1se9 h VAL 38 N -0.05 1.24 -0.30 3.16 3.04 -0.57 -1.39 116.25 121.38 1se9 h VAL 38 Ca 0.03 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1se9 h VAL 38 Cb 0.61 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1se9 h VAL 38 CO 0.03 0.26 0.08 0.40 -1.01 0.00 0.00 177.57 177.33 1se9 h ILE 39 N 1.16 1.14 -0.01 3.17 2.04 -1.01 0.28 117.51 124.28 1se9 h ILE 39 Ca 0.30 -0.48 -0.22 0.00 1.00 0.00 0.00 64.86 65.46 1se9 h ILE 39 Cb 0.00 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1se9 h ILE 39 CO -0.05 0.17 -0.91 0.28 0.00 0.00 0.00 178.15 177.64 1se9 h SER 40 N 0.42 0.55 1.34 1.72 0.02 -0.88 -3.20 113.55 113.52 1se9 h SER 40 Ca 0.10 -0.43 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 1se9 h SER 40 Cb 0.15 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1se9 h SER 40 CO -0.01 1.22 -0.51 -0.33 -1.14 0.00 0.00 176.83 176.07 1se9 h GLU 41 N 0.25 0.00 -6.34 3.45 4.39 -0.66 -3.44 114.58 112.23 1se9 h GLU 41 Ca -0.07 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.09 1se9 h GLU 41 Cb 1.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.16 1se9 h GLU 41 CO 0.16 0.51 0.22 -0.46 -1.16 0.00 0.00 179.01 178.28 1se9 s TRP 42 N -3.07 3.73 0.18 4.33 -0.11 0.92 -5.01 118.94 119.91 1se9 s TRP 42 Ca 0.03 1.54 -0.32 0.00 1.22 0.00 0.00 56.10 58.58 1se9 s TRP 42 Cb 0.08 -2.90 -0.11 0.00 -1.50 0.00 0.00 33.47 29.04 1se9 s TRP 42 CO 0.74 0.21 1.65 -2.14 -4.62 0.00 0.00 176.95 172.78 1se9 s PRO 43 N 0.16 4.17 0.47 5.86 0.02 -1.26 -4.85 135.00 139.58 1se9 s PRO 43 Ca 0.42 2.48 0.27 0.00 0.02 0.00 0.00 61.00 64.18 1se9 s PRO 43 Cb -0.21 -3.14 0.96 0.00 0.02 0.00 0.00 34.50 32.13 1se9 s PRO 43 CO 0.24 -0.68 1.83 0.00 -0.33 0.00 0.00 177.00 178.07 1se9 h ARG 44 N 6.87 0.00 -0.01 5.54 -0.00 -1.90 -2.15 114.38 122.73 1se9 h ARG 44 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.05 1se9 h ARG 44 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.17 1se9 h ARG 44 CO 0.94 0.14 0.00 -1.91 0.00 0.00 0.00 179.97 179.13 1se9 n GLU 45 N -3.25 1.32 -1.63 0.04 2.13 -1.26 -4.87 120.64 113.13 1se9 n GLU 45 Ca 0.01 -0.47 -0.39 0.00 0.66 0.00 0.00 57.16 56.97 1se9 n GLU 45 Cb 0.42 -1.48 -0.03 0.00 0.27 0.00 0.00 31.44 30.62 1se9 n GLU 45 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1se9 s LYS 46 N -1.99 2.55 0.44 5.31 2.47 -0.81 -4.94 119.74 122.77 1se9 s LYS 46 Ca 0.42 1.57 -0.21 0.00 -1.56 0.00 0.00 55.97 56.19 1se9 s LYS 46 Cb 0.21 -4.48 -0.10 0.00 -1.46 0.00 0.00 37.83 32.00 1se9 s LYS 46 CO 0.35 -2.77 0.97 -1.83 0.16 0.00 0.00 175.35 172.22 1se9 s GLU 47 N 7.39 4.14 -1.22 4.03 -1.05 -1.26 -3.26 118.70 127.48 1se9 s GLU 47 Ca 0.96 1.16 0.00 0.00 -0.15 0.00 0.00 54.97 56.94 1se9 s GLU 47 Cb -0.22 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 1se9 s GLU 47 CO 0.29 -0.11 0.00 0.09 0.95 0.00 0.00 175.26 176.48 1se9 n ASN 48 N -0.73 -5.35 -4.04 0.83 3.02 -1.26 -4.94 115.26 102.79 1se9 n ASN 48 Ca 0.07 0.29 -0.17 0.00 -0.03 0.00 0.00 54.58 54.74 1se9 n ASN 48 Cb 0.54 -3.87 -0.09 0.00 -0.61 0.00 0.00 39.78 35.74 1se9 n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1se9 s GLY 49 N -2.51 1.87 0.93 7.41 0.00 -1.20 -4.84 107.32 108.98 1se9 s GLY 49 Ca 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 42.81 1se9 s GLY 49 CO 0.00 -1.53 1.09 -4.14 0.00 0.00 0.00 173.10 168.53 1se9 s PRO 50 N -3.91 0.99 0.00 2.90 0.02 -1.26 -4.50 135.00 129.24 1se9 s PRO 50 Ca 0.37 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1se9 s PRO 50 Cb 0.06 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1se9 s PRO 50 CO 0.16 -2.39 0.00 1.63 -0.33 0.00 0.00 177.00 176.08 1se9 n LYS 51 N -3.96 0.89 -4.45 5.54 4.01 -1.26 -4.77 118.16 114.16 1se9 n LYS 51 Ca 0.06 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.64 1se9 n LYS 51 Cb 0.56 -0.75 -0.09 0.00 -0.51 0.00 0.00 35.03 34.25 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1se9 s THR 52 N -1.49 0.68 0.43 -0.18 -4.23 -1.26 -4.94 115.64 104.64 1se9 s THR 52 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1se9 s THR 52 Cb 0.00 -2.51 0.38 0.00 1.34 0.00 0.00 72.50 71.72 1se9 s THR 52 CO 0.00 0.00 1.87 1.62 -0.54 0.00 0.00 174.62 177.57 1se9 h VAL 53 N 2.00 0.69 0.02 2.29 3.04 -1.91 -1.62 116.25 120.75 1se9 h VAL 53 Ca -0.36 -0.13 -0.21 0.00 -1.01 0.00 0.00 66.70 64.99 1se9 h VAL 53 Cb 1.26 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1se9 h VAL 53 CO 0.59 0.07 -0.93 0.50 -1.01 0.00 0.00 177.57 176.78 1se9 h LYS 54 N 0.37 0.15 0.00 4.17 3.64 -2.00 -3.28 116.57 119.62 1se9 h LYS 54 Ca 0.45 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1se9 h LYS 54 Cb 1.16 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1se9 h LYS 54 CO -0.15 0.98 -0.61 -0.85 -2.27 0.00 0.00 179.45 176.55 1se9 n GLU 55 N -3.59 0.00 -3.66 1.90 0.00 -0.69 -4.71 120.64 109.89 1se9 n GLU 55 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.74 1se9 n GLU 55 Cb 0.85 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.67 1se9 n GLU 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1se9 s VAL 56 N -3.00 4.63 -0.17 3.84 0.11 -0.74 -1.33 120.40 123.74 1se9 s VAL 56 Ca 0.10 -0.35 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 1se9 s VAL 56 Cb 0.17 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 1se9 s VAL 56 CO 0.74 0.11 -0.00 -0.54 -3.33 0.00 0.00 175.10 172.07 1se9 s LYS 57 N 1.63 3.74 -0.25 1.54 1.02 -0.33 -4.83 119.74 122.25 1se9 s LYS 57 Ca 0.05 -0.48 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 1se9 s LYS 57 Cb -0.17 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1se9 s LYS 57 CO 0.06 0.19 0.13 -0.51 -0.92 0.00 0.00 175.35 174.30 1se9 s LEU 58 N 0.52 3.83 -0.06 3.17 2.01 -1.26 -0.30 118.68 126.59 1se9 s LEU 58 Ca -0.01 -0.03 0.06 0.00 0.01 0.00 0.00 54.13 54.16 1se9 s LEU 58 Cb -0.14 -2.03 -0.01 0.00 0.01 0.00 0.00 46.19 44.02 1se9 s LEU 58 CO 0.02 0.01 -0.25 -0.63 1.01 0.00 0.00 176.35 176.52 1se9 s ILE 59 N 1.35 2.03 -0.03 -0.59 1.01 0.89 -0.48 121.20 125.37 1se9 s ILE 59 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1se9 s ILE 59 Cb -0.15 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1se9 s ILE 59 CO 0.06 0.56 -0.02 -0.44 0.00 0.00 0.00 174.94 175.10 1se9 s SER 60 N -0.15 0.64 -0.85 3.58 0.01 -0.37 -1.83 113.70 114.73 1se9 s SER 60 Ca -0.04 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1se9 s SER 60 Cb -0.14 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1se9 s SER 60 CO 0.04 -0.07 0.00 0.00 0.41 0.00 0.00 173.24 173.61 1se9 n ALA 61 N 4.04 -0.12 -0.81 1.44 0.00 -1.26 -1.59 120.51 122.21 1se9 n ALA 61 Ca -0.26 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1se9 n ALA 61 Cb 0.51 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.39 0.89 2.93 0.00 0.00 -1.26 -5.08 105.19 102.28 1se9 n GLY 62 Ca -0.08 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.84 0.65 -0.12 1.61 2.47 -0.62 -5.11 119.74 116.77 1se9 s LYS 63 Ca 0.00 -0.16 -0.29 0.00 -1.56 0.00 0.00 55.97 53.96 1se9 s LYS 63 Cb 0.00 -0.65 -0.03 0.00 -1.46 0.00 0.00 37.83 35.69 1se9 s LYS 63 CO 0.00 0.03 1.31 0.08 0.16 0.00 0.00 175.35 176.92 1se9 s VAL 64 N 0.39 4.15 0.32 4.02 1.01 -1.26 -1.24 120.40 127.79 1se9 s VAL 64 Ca -0.05 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 1se9 s VAL 64 Cb -0.09 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1se9 s VAL 64 CO -0.00 -0.09 1.39 -0.76 0.00 0.00 0.00 175.10 175.63 1se9 s LEU 65 N 3.24 4.39 -0.20 3.92 1.43 0.37 -4.99 118.68 126.84 1se9 s LEU 65 Ca 0.58 2.77 -0.15 0.00 -1.03 0.00 0.00 54.13 56.30 1se9 s LEU 65 Cb -0.24 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 1se9 s LEU 65 CO 0.18 -0.66 0.36 -0.70 0.23 0.00 0.00 176.35 175.76 1se9 s GLU 66 N -1.48 4.16 0.60 1.70 -6.30 -1.26 -4.83 118.70 111.29 1se9 s GLU 66 Ca 0.53 0.13 0.29 0.00 -2.50 0.00 0.00 54.97 53.41 1se9 s GLU 66 Cb -0.42 -3.53 1.45 0.00 0.00 0.00 0.00 34.13 31.63 1se9 s GLU 66 CO 0.53 -0.01 1.85 -0.91 0.02 0.00 0.00 175.26 176.74 1se9 h ASN 67 N 7.35 0.00 1.52 -1.70 2.35 -1.94 -0.75 115.58 122.40 1se9 h ASN 67 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1se9 h ASN 67 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1se9 h ASN 67 CO 0.71 0.00 -0.15 0.28 -1.65 0.00 0.00 177.43 176.63 1se9 h SER 68 N 0.00 0.00 -4.48 5.81 0.02 -1.94 -1.52 113.55 111.43 1se9 h SER 68 Ca 0.21 -0.03 -0.49 0.00 -0.84 0.00 0.00 61.79 60.64 1se9 h SER 68 Cb 1.25 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.87 1se9 h SER 68 CO -0.00 0.01 0.41 -0.54 -1.14 0.00 0.00 176.83 175.57 1se9 s LYS 69 N -3.16 2.62 0.17 3.45 -0.14 -0.29 -4.84 119.74 117.56 1se9 s LYS 69 Ca 0.08 0.41 0.07 0.00 -1.36 0.00 0.00 55.97 55.18 1se9 s LYS 69 Cb 0.10 -2.00 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1se9 s LYS 69 CO 0.65 -1.19 -0.02 0.95 -0.76 0.00 0.00 175.35 174.98 1se9 s THR 70 N -3.38 3.64 0.14 2.17 -4.23 -1.26 0.29 115.64 113.01 1se9 s THR 70 Ca 0.59 -1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 59.48 1se9 s THR 70 Cb -0.11 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 1se9 s THR 70 CO 0.51 -0.10 1.79 0.58 -0.54 0.00 0.00 174.62 176.86 1se9 h VAL 71 N 2.52 1.05 -0.42 2.29 2.07 -0.96 -2.18 116.25 120.62 1se9 h VAL 71 Ca -0.47 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1se9 h VAL 71 Cb 1.20 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1se9 h VAL 71 CO 0.57 0.07 0.28 0.50 0.02 0.00 0.00 177.57 179.02 1se9 h LYS 72 N 0.39 0.43 -0.16 1.57 3.64 -0.45 0.45 116.57 122.44 1se9 h LYS 72 Ca 0.12 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 1se9 h LYS 72 Cb -0.01 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1se9 h LYS 72 CO -0.05 0.29 -0.65 0.22 -2.27 0.00 0.00 179.45 176.99 1se9 h ASP 73 N 0.44 0.70 -0.10 4.20 3.58 -1.71 -3.26 116.42 120.27 1se9 h ASP 73 Ca 0.17 -0.42 -0.20 0.00 0.42 0.00 0.00 57.03 57.01 1se9 h ASP 73 Cb 0.14 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.00 1se9 h ASP 73 CO -0.04 1.17 -0.70 0.22 -2.88 0.00 0.00 179.24 177.01 1se9 h TYR 74 N 0.44 0.90 -3.02 0.28 5.03 -0.71 -3.43 116.97 116.47 1se9 h TYR 74 Ca -0.02 -0.42 -0.55 0.00 2.58 0.00 0.00 58.73 60.33 1se9 h TYR 74 Cb 1.23 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.36 1se9 h TYR 74 CO 0.06 1.23 0.76 1.03 -1.32 0.00 0.00 178.16 179.92 1se9 s ARG 75 N -3.62 4.32 0.03 1.82 0.52 0.06 -4.98 118.95 117.10 1se9 s ARG 75 Ca -0.11 1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 1se9 s ARG 75 Cb 0.07 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1se9 s ARG 75 CO 0.87 -0.51 1.35 -1.12 0.02 0.00 0.00 175.30 175.91 1se9 s SER 76 N 1.64 6.89 -0.26 0.23 0.01 -1.26 -4.86 113.70 116.10 1se9 s SER 76 Ca 0.57 2.12 -0.28 0.00 1.31 0.00 0.00 55.95 59.68 1se9 s SER 76 Cb -0.26 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 1se9 s SER 76 CO 0.22 -0.66 2.14 -2.84 0.41 0.00 0.00 173.24 172.51 1se9 s PRO 77 N 1.90 3.12 -0.04 12.44 0.02 -1.26 -4.76 135.00 146.42 1se9 s PRO 77 Ca 0.63 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 1se9 s PRO 77 Cb -0.32 -4.35 -0.02 0.00 0.02 0.00 0.00 34.50 29.83 1se9 s PRO 77 CO 0.27 -2.12 -0.04 1.55 -0.33 0.00 0.00 177.00 176.33 1se9 n VAL 78 N 7.70 0.24 -3.65 3.83 3.14 -1.26 -5.05 118.33 123.28 1se9 n VAL 78 Ca 0.29 -0.08 -0.05 0.00 -2.96 0.00 0.00 64.34 61.53 1se9 n VAL 78 Cb 0.46 -0.98 -0.06 0.00 -1.06 0.00 0.00 33.84 32.20 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1se9 s SER 79 N -4.77 -0.96 -0.80 6.55 0.01 -1.26 -5.09 113.70 107.37 1se9 s SER 79 Ca -0.06 1.48 -0.23 0.00 1.31 0.00 0.00 55.95 58.46 1se9 s SER 79 Cb 0.02 1.65 0.07 0.00 0.21 0.00 0.00 66.02 67.97 1se9 s SER 79 CO 0.09 -0.23 1.17 0.21 0.41 0.00 0.00 173.24 174.89 1se9 s ASN 80 N 2.07 6.33 0.71 2.44 2.47 -1.26 -4.99 114.94 122.70 1se9 s ASN 80 Ca -0.08 -1.18 0.00 0.00 0.42 0.00 0.00 52.86 52.02 1se9 s ASN 80 Cb -0.08 -2.48 0.12 0.00 -1.45 0.00 0.00 41.25 37.37 1se9 s ASN 80 CO -0.19 -1.47 0.97 -0.76 -3.72 0.00 0.00 177.10 171.94 1se9 s LEU 81 N 4.34 2.99 -0.10 3.21 1.43 -1.26 -5.11 118.68 124.19 1se9 s LEU 81 Ca 0.32 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1se9 s LEU 81 Cb -0.09 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.21 1se9 s LEU 81 CO 0.03 -1.81 0.17 0.00 0.23 0.00 0.00 176.35 174.97 1se9 s ALA 82 N -3.10 -0.17 0.00 4.21 0.00 -1.26 -4.84 121.76 116.60 1se9 s ALA 82 Ca 0.66 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1se9 s ALA 82 Cb -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1se9 s ALA 82 CO 0.44 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1se9 n GLY 83 N 5.32 0.64 3.60 0.00 0.00 -1.26 -5.06 105.19 108.43 1se9 n GLY 83 Ca -0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.90 3.02 -0.09 4.61 0.00 -1.26 -5.09 121.76 120.05 1se9 s ALA 84 Ca 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1se9 s ALA 84 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1se9 s ALA 84 CO 0.00 0.65 -0.12 0.08 0.00 0.00 0.00 175.76 176.37 1se9 s VAL 85 N -1.18 3.21 -0.09 0.00 1.01 -1.26 -3.28 120.40 118.81 1se9 s VAL 85 Ca 0.21 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1se9 s VAL 85 Cb -0.11 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1se9 s VAL 85 CO 0.13 0.56 -0.07 -0.89 0.00 0.00 0.00 175.10 174.83 1se9 s THR 86 N -0.30 3.63 -0.13 3.92 2.01 0.12 -4.99 115.64 119.90 1se9 s THR 86 Ca 0.03 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1se9 s THR 86 Cb -0.13 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.88 1se9 s THR 86 CO 0.03 0.57 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.42 1se9 s THR 87 N -0.45 2.18 0.03 -0.82 2.01 -1.26 -0.40 115.64 116.93 1se9 s THR 87 Ca 0.07 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.20 1se9 s THR 87 Cb -0.12 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1se9 s THR 87 CO 0.02 0.55 -0.25 -0.04 -0.69 0.00 0.00 174.62 174.21 1se9 s MET 88 N 0.66 1.91 -0.06 4.92 -1.94 -0.62 -4.98 119.30 119.18 1se9 s MET 88 Ca -0.10 -1.05 -0.22 0.00 -1.71 0.00 0.00 55.69 52.60 1se9 s MET 88 Cb -0.16 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1se9 s MET 88 CO 0.02 0.53 0.66 -1.58 -0.01 0.00 0.00 175.02 174.63 1se9 s HIS 89 N -0.78 3.59 -0.19 -0.03 2.46 -0.76 -0.94 115.29 118.64 1se9 s HIS 89 Ca 0.12 1.20 -0.06 0.00 0.47 0.00 0.00 55.06 56.78 1se9 s HIS 89 Cb -0.10 -2.74 -0.03 0.00 -0.13 0.00 0.00 32.58 29.57 1se9 s HIS 89 CO 0.02 0.14 0.03 0.08 -2.47 0.00 0.00 174.74 172.54 1se9 s VAL 90 N 0.61 4.36 -0.17 0.89 1.01 0.22 -0.08 120.40 127.25 1se9 s VAL 90 Ca 0.35 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1se9 s VAL 90 Cb -0.17 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1se9 s VAL 90 CO 0.17 0.43 -0.01 -0.63 0.00 0.00 0.00 175.10 175.07 1se9 s ILE 91 N 0.75 4.07 -0.29 2.22 1.09 0.59 -2.39 121.20 127.23 1se9 s ILE 91 Ca 0.02 -0.29 -0.16 0.00 -1.10 0.00 0.00 60.65 59.12 1se9 s ILE 91 Cb -0.14 -2.81 -0.03 0.00 -1.06 0.00 0.00 42.46 38.43 1se9 s ILE 91 CO 0.02 0.47 0.41 -0.63 -0.10 0.00 0.00 174.94 175.11 1se9 s ILE 92 N 0.56 5.13 -0.37 2.92 1.09 -1.26 -1.19 121.20 128.09 1se9 s ILE 92 Ca -0.01 0.51 -0.11 0.00 -1.10 0.00 0.00 60.65 59.94 1se9 s ILE 92 Cb -0.14 -3.77 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 1se9 s ILE 92 CO 0.02 0.06 0.21 -1.58 -0.10 0.00 0.00 174.94 173.54 1se9 s GLN 93 N 2.15 2.93 -0.23 2.79 0.74 -0.44 -5.01 119.66 122.58 1se9 s GLN 93 Ca 0.16 -1.01 -0.29 0.00 0.05 0.00 0.00 55.36 54.27 1se9 s GLN 93 Cb -0.16 -3.72 -0.01 0.00 1.10 0.00 0.00 33.01 30.22 1se9 s GLN 93 CO 0.11 -0.65 1.31 0.00 -0.55 0.00 0.00 175.29 175.50 1se9 s ALA 94 N 1.57 3.49 0.96 1.58 0.00 -1.26 -4.34 121.76 123.76 1se9 s ALA 94 Ca 0.03 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1se9 s ALA 94 Cb -0.19 -3.71 0.18 0.00 0.00 0.00 0.00 23.12 19.40 1se9 s ALA 94 CO 0.07 -1.52 1.25 -1.25 0.00 0.00 0.00 175.76 174.30 1se9 s PRO 95 N 3.91 0.73 -1.27 0.00 0.04 -1.26 -4.91 135.00 132.24 1se9 s PRO 95 Ca 0.57 -0.18 -0.18 0.00 0.04 0.00 0.00 61.00 61.25 1se9 s PRO 95 Cb -0.19 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1se9 s PRO 95 CO 0.20 -2.39 1.88 1.55 0.04 0.00 0.00 177.00 178.28 1se9 n VAL 96 N -3.80 3.33 -3.71 -0.36 3.14 -1.26 -4.77 118.33 110.90 1se9 n VAL 96 Ca 0.12 -3.33 -0.17 0.00 -2.96 0.00 0.00 64.34 58.00 1se9 n VAL 96 Cb 0.60 -2.36 -0.16 0.00 -1.06 0.00 0.00 33.84 30.85 1se9 n VAL 96 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1se9 s THR 97 N 5.35 -0.11 0.29 1.55 -4.23 -1.26 -5.16 115.64 112.07 1se9 s THR 97 Ca 0.56 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 61.30 1se9 s THR 97 Cb 0.06 -0.17 0.00 0.00 1.34 0.00 0.00 72.50 73.73 1se9 s THR 97 CO 0.06 0.13 0.48 -1.83 -0.54 0.00 0.00 174.62 172.92 1se9 s GLU 98 N 1.71 1.73 -1.02 3.99 -1.05 -1.26 -4.65 118.70 118.16 1se9 s GLU 98 Ca -0.02 -1.51 -0.20 0.00 -0.15 0.00 0.00 54.97 53.09 1se9 s GLU 98 Cb -0.12 0.46 0.09 0.00 -0.44 0.00 0.00 34.13 34.12 1se9 s GLU 98 CO -0.04 -0.72 1.34 -1.59 0.95 0.00 0.00 175.26 175.20 1se9 s LYS 99 N -3.49 3.66 0.00 -4.83 -2.85 -1.26 -4.83 119.74 106.14 1se9 s LYS 99 Ca 0.26 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 1se9 s LYS 99 Cb -0.00 -5.17 0.00 0.00 -2.06 0.00 0.00 37.83 30.60 1se9 s LYS 99 CO 0.14 -2.00 0.00 -0.85 0.10 0.00 0.00 175.35 172.74 1se9 n GLU 100 N 7.65 0.00 0.00 1.78 0.28 -1.26 -5.29 120.64 123.81 1se9 n GLU 100 Ca 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1se9 n GLU 100 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 1se9 n GLU 100 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33