#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 2.79 -0.07 0.62 0.00 -1.26 -4.25 121.76 119.59 1se9 s ALA 2 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 1se9 s ALA 2 Cb 0.00 -4.24 0.02 0.00 0.00 0.00 0.00 23.12 18.90 1se9 s ALA 2 CO 0.00 -3.27 0.10 -1.91 0.00 0.00 0.00 175.76 170.68 1se9 n GLU 3 N 9.14 -2.77 -2.46 0.00 2.13 -1.26 -4.84 120.64 120.58 1se9 n GLU 3 Ca 0.05 2.27 -0.39 0.00 0.66 0.00 0.00 57.16 59.75 1se9 n GLU 3 Cb 0.49 -3.21 -0.03 0.00 0.27 0.00 0.00 31.44 28.95 1se9 n GLU 3 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1se9 s VAL 4 N -0.37 3.76 -1.86 6.31 0.11 -1.26 -4.75 120.40 122.33 1se9 s VAL 4 Ca -0.11 -0.26 0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1se9 s VAL 4 Cb 0.01 -4.80 0.64 0.00 -1.53 0.00 0.00 36.38 30.69 1se9 s VAL 4 CO 0.31 -1.72 2.00 1.57 -3.33 0.00 0.00 175.10 173.93 1se9 n HIS 5 N 9.95 0.00 0.24 1.54 -0.00 -1.26 -2.32 115.22 123.37 1se9 n HIS 5 Ca 0.23 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.55 1se9 n HIS 5 Cb 0.50 -0.11 0.40 0.00 -0.12 0.00 0.00 29.99 30.66 1se9 n HIS 5 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1se9 h ASN 6 N 0.55 0.00 -2.06 0.26 2.35 -1.91 -3.27 115.58 111.50 1se9 h ASN 6 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 1se9 h ASN 6 Cb 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1se9 h ASN 6 CO 0.00 0.02 -0.46 -1.10 -1.65 0.00 0.00 177.43 174.24 1se9 s GLN 7 N -3.42 3.03 -0.12 0.81 -0.21 -0.98 -4.78 119.66 113.99 1se9 s GLN 7 Ca 0.04 -1.03 -0.06 0.00 0.02 0.00 0.00 55.36 54.33 1se9 s GLN 7 Cb 0.07 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 1se9 s GLN 7 CO 0.62 0.29 0.09 -0.48 -2.12 0.00 0.00 175.29 173.69 1se9 s LEU 8 N -3.96 4.08 0.01 2.90 2.34 -0.42 -4.25 118.68 119.39 1se9 s LEU 8 Ca 0.37 0.32 -0.20 0.00 0.06 0.00 0.00 54.13 54.68 1se9 s LEU 8 Cb -0.08 -1.98 -0.06 0.00 -0.56 0.00 0.00 46.19 43.51 1se9 s LEU 8 CO 0.27 0.37 0.57 -1.61 -1.06 0.00 0.00 176.35 174.89 1se9 s GLU 9 N -0.79 4.25 -0.02 1.48 2.02 -0.98 0.33 118.70 125.00 1se9 s GLU 9 Ca 0.13 0.70 0.05 0.00 0.02 0.00 0.00 54.97 55.86 1se9 s GLU 9 Cb -0.12 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 1se9 s GLU 9 CO 0.03 0.47 -0.15 0.42 0.02 0.00 0.00 175.26 176.04 1se9 s ILE 10 N -0.51 1.22 0.11 -1.63 1.01 0.63 0.74 121.20 122.77 1se9 s ILE 10 Ca 0.30 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.38 1se9 s ILE 10 Cb -0.18 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1se9 s ILE 10 CO 0.17 0.35 -0.22 -1.59 0.00 0.00 0.00 174.94 173.65 1se9 s LYS 11 N -0.29 1.17 -0.30 2.79 -2.85 0.01 -1.42 119.74 118.84 1se9 s LYS 11 Ca 0.05 -1.20 -0.11 0.00 -1.00 0.00 0.00 55.97 53.71 1se9 s LYS 11 Cb -0.07 -1.45 -0.03 0.00 -2.06 0.00 0.00 37.83 34.22 1se9 s LYS 11 CO -0.00 0.34 0.18 -0.06 0.10 0.00 0.00 175.35 175.91 1se9 s PHE 12 N -1.20 3.20 -0.31 1.78 0.08 -1.22 -1.65 117.98 118.66 1se9 s PHE 12 Ca 0.08 -0.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 1se9 s PHE 12 Cb -0.10 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 39.98 1se9 s PHE 12 CO 0.05 -0.30 0.10 0.50 -0.10 0.00 0.00 175.22 175.47 1se9 s ARG 13 N 1.70 3.02 0.53 0.44 3.00 0.14 -0.34 118.95 127.44 1se9 s ARG 13 Ca 0.06 -0.91 -0.21 0.00 -1.00 0.00 0.00 55.73 53.67 1se9 s ARG 13 Cb -0.16 -3.42 -0.06 0.00 0.00 0.00 0.00 34.95 31.31 1se9 s ARG 13 CO 0.09 -0.49 1.18 -0.51 0.00 0.00 0.00 175.30 175.57 1se9 s LEU 14 N 1.50 3.82 0.51 -0.88 2.01 0.22 -0.83 118.68 125.02 1se9 s LEU 14 Ca 0.02 2.33 0.34 0.00 0.01 0.00 0.00 54.13 56.83 1se9 s LEU 14 Cb -0.18 -4.45 1.62 0.00 0.01 0.00 0.00 46.19 43.19 1se9 s LEU 14 CO 0.03 -1.26 2.02 0.74 1.01 0.00 0.00 176.35 178.89 1se9 h THR 15 N 1.34 0.00 0.00 5.49 2.02 -1.74 -0.93 112.91 119.08 1se9 h THR 15 Ca -0.50 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1se9 h THR 15 Cb 1.27 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1se9 h THR 15 CO 0.57 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.93 1se9 n ASP 16 N -2.83 0.00 0.00 4.18 8.00 -1.26 -4.87 116.55 119.77 1se9 n ASP 16 Ca -0.01 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1se9 n ASP 16 Cb 0.18 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1se9 n GLY 17 N 1.25 0.70 3.93 0.44 0.00 -0.36 -5.07 105.19 106.08 1se9 n GLY 17 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1se9 n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1se9 s SER 18 N -2.68 6.33 0.05 1.61 0.15 -1.25 -4.89 113.70 113.02 1se9 s SER 18 Ca 0.00 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.13 1se9 s SER 18 Cb 0.00 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.23 1se9 s SER 18 CO 0.00 -0.25 -0.00 1.51 1.20 0.00 0.00 173.24 175.70 1se9 s ASP 19 N -3.76 0.41 -0.08 5.45 -4.77 -1.26 0.70 116.67 113.36 1se9 s ASP 19 Ca 0.41 -0.88 -0.02 0.00 -3.30 0.00 0.00 52.55 48.76 1se9 s ASP 19 Cb -0.10 0.20 -0.03 0.00 -1.09 0.00 0.00 42.92 41.90 1se9 s ASP 19 CO 0.34 -0.56 0.02 -0.63 0.70 0.00 0.00 175.17 175.04 1se9 s ILE 20 N -3.51 4.49 0.31 2.11 1.01 0.54 -4.97 121.20 121.18 1se9 s ILE 20 Ca 0.03 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 1se9 s ILE 20 Cb 0.05 -2.91 -0.14 0.00 0.01 0.00 0.00 42.46 39.47 1se9 s ILE 20 CO -0.09 0.58 0.91 0.61 0.00 0.00 0.00 174.94 176.96 1se9 n GLY 21 N 2.03 -0.53 3.78 6.18 0.00 -1.26 -3.39 105.19 112.00 1se9 n GLY 21 Ca -0.18 0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.56 4.16 0.21 1.61 0.04 -1.26 -4.73 135.00 133.47 1se9 s PRO 22 Ca 0.60 1.56 0.05 0.00 0.04 0.00 0.00 61.00 63.24 1se9 s PRO 22 Cb -0.70 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1se9 s PRO 22 CO 0.59 -0.15 -0.05 0.15 0.04 0.00 0.00 177.00 177.57 1se9 s LYS 23 N -2.44 1.29 -0.18 4.56 3.01 -0.51 -4.89 119.74 120.57 1se9 s LYS 23 Ca 0.57 -1.62 -0.19 0.00 -1.01 0.00 0.00 55.97 53.73 1se9 s LYS 23 Cb -0.23 -0.74 -0.03 0.00 -1.01 0.00 0.00 37.83 35.81 1se9 s LYS 23 CO 0.29 -0.00 0.53 0.00 0.51 0.00 0.00 175.35 176.68 1se9 s ALA 24 N -3.29 3.53 -0.12 5.17 0.00 -1.26 -0.27 121.76 125.52 1se9 s ALA 24 Ca 0.25 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1se9 s ALA 24 Cb 0.04 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1se9 s ALA 24 CO 0.07 -0.38 -0.18 -0.06 0.00 0.00 0.00 175.76 175.20 1se9 s PHE 25 N 1.51 2.25 0.55 0.00 0.40 0.15 -4.91 117.98 117.92 1se9 s PHE 25 Ca 0.25 -1.08 -0.20 0.00 -0.60 0.00 0.00 56.93 55.29 1se9 s PHE 25 Cb -0.15 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1se9 s PHE 25 CO 0.10 -0.52 1.22 -2.14 0.70 0.00 0.00 175.22 174.58 1se9 s PRO 26 N 0.89 3.21 0.60 0.24 0.02 -1.26 -1.30 135.00 137.40 1se9 s PRO 26 Ca -0.07 1.89 0.38 0.00 0.02 0.00 0.00 61.00 63.21 1se9 s PRO 26 Cb -0.15 -2.11 1.79 0.00 0.02 0.00 0.00 34.50 34.05 1se9 s PRO 26 CO -0.01 -1.03 2.14 0.38 -0.33 0.00 0.00 177.00 178.15 1se9 h ASP 27 N 1.30 0.00 0.47 2.53 3.04 -1.93 -1.42 116.42 120.41 1se9 h ASP 27 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 1se9 h ASP 27 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 1se9 h ASP 27 CO 0.57 0.01 0.00 0.00 -2.04 0.00 0.00 179.24 177.78 1se9 n ALA 28 N -2.10 2.46 -1.77 4.15 0.00 -1.26 0.68 120.51 122.67 1se9 n ALA 28 Ca -0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 1se9 n ALA 28 Cb 0.21 -1.47 -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 -2.49 3.24 0.49 0.00 2.01 -0.53 -4.80 115.64 113.56 1se9 s THR 29 Ca 0.30 1.12 -0.18 0.00 0.31 0.00 0.00 61.69 63.24 1se9 s THR 29 Cb 0.20 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 1se9 s THR 29 CO 0.43 0.17 0.99 0.42 -0.69 0.00 0.00 174.62 175.93 1se9 s THR 30 N -1.33 4.36 0.40 -0.82 -4.23 -1.26 -0.77 115.64 111.99 1se9 s THR 30 Ca 0.52 1.26 0.23 0.00 -1.18 0.00 0.00 61.69 62.52 1se9 s THR 30 Cb -0.31 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 70.14 1se9 s THR 30 CO 0.40 -0.52 2.01 0.58 -0.54 0.00 0.00 174.62 176.55 1se9 h VAL 31 N 1.23 0.77 -0.14 2.29 2.07 -0.40 -0.61 116.25 121.47 1se9 h VAL 31 Ca -0.48 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1se9 h VAL 31 Cb 1.19 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1se9 h VAL 31 CO 0.61 0.17 -0.00 0.28 0.02 0.00 0.00 177.57 178.65 1se9 h SER 32 N 0.00 -0.06 0.45 0.57 0.02 -1.25 0.27 113.55 113.56 1se9 h SER 32 Ca -0.00 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1se9 h SER 32 Cb 0.40 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1se9 h SER 32 CO 0.02 -0.01 -0.37 0.00 -1.14 0.00 0.00 176.83 175.33 1se9 h ALA 33 N 1.12 1.29 -0.14 3.77 0.00 -1.62 0.17 119.26 123.85 1se9 h ALA 33 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1se9 h ALA 33 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1se9 h ALA 33 CO -0.11 0.46 0.05 1.25 0.00 0.00 0.00 179.25 180.90 1se9 h LEU 34 N 0.00 0.19 -0.60 0.00 5.85 -0.65 0.37 115.31 120.48 1se9 h LEU 34 Ca -0.00 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.38 1se9 h LEU 34 Cb 0.70 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1se9 h LEU 34 CO 0.05 0.33 -0.42 0.11 -0.34 0.00 0.00 178.44 178.18 1se9 h LYS 35 N 0.05 0.65 -0.17 1.25 1.57 -0.44 -2.59 116.57 116.88 1se9 h LYS 35 Ca 0.04 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1se9 h LYS 35 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1se9 h LYS 35 CO -0.00 0.94 -0.08 0.93 -0.57 0.00 0.00 179.45 180.67 1se9 h GLU 36 N 0.53 0.26 -0.46 3.15 4.39 -0.54 -0.55 114.58 121.37 1se9 h GLU 36 Ca 0.04 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1se9 h GLU 36 Cb 0.94 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1se9 h GLU 36 CO 0.08 0.36 -0.05 1.15 -1.16 0.00 0.00 179.01 179.39 1se9 h THR 37 N 0.26 1.25 -0.25 1.13 2.02 -0.55 0.17 112.91 116.94 1se9 h THR 37 Ca 0.06 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1se9 h THR 37 Cb 0.31 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1se9 h THR 37 CO 0.02 0.38 0.15 0.58 0.37 0.00 0.00 175.52 177.01 1se9 h VAL 38 N 0.72 1.03 -0.35 3.16 2.07 -0.87 -2.00 116.25 120.01 1se9 h VAL 38 Ca 0.13 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1se9 h VAL 38 Cb 0.52 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1se9 h VAL 38 CO 0.03 0.06 0.02 0.40 0.02 0.00 0.00 177.57 178.09 1se9 h ILE 39 N 0.30 1.19 -0.31 4.57 1.08 -0.65 -1.03 117.51 122.67 1se9 h ILE 39 Ca 0.10 -0.76 -0.09 0.00 -0.39 0.00 0.00 64.86 63.72 1se9 h ILE 39 Cb -0.01 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 1se9 h ILE 39 CO -0.04 0.26 -0.20 0.28 -0.69 0.00 0.00 178.15 177.76 1se9 h SER 40 N 0.52 0.57 0.17 1.72 0.02 -0.22 -2.52 113.55 113.80 1se9 h SER 40 Ca 0.11 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1se9 h SER 40 Cb 0.31 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1se9 h SER 40 CO 0.01 0.77 -0.17 -0.62 -1.14 0.00 0.00 176.83 175.68 1se9 n GLU 41 N -4.14 1.08 -4.18 3.45 -0.58 -0.79 -4.84 120.64 110.63 1se9 n GLU 41 Ca 0.00 -0.62 -0.35 0.00 -0.42 0.00 0.00 57.16 55.77 1se9 n GLU 41 Cb 0.38 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.69 1se9 n GLU 41 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1se9 s TRP 42 N -2.35 3.30 -0.38 -0.32 -0.11 -0.45 -5.06 118.94 113.58 1se9 s TRP 42 Ca 0.29 0.28 -0.28 0.00 1.22 0.00 0.00 56.10 57.61 1se9 s TRP 42 Cb 0.20 -1.82 -0.00 0.00 -1.50 0.00 0.00 33.47 30.35 1se9 s TRP 42 CO 0.46 0.56 1.61 -2.14 -4.62 0.00 0.00 176.95 172.82 1se9 s PRO 43 N -1.12 3.43 0.47 5.86 0.02 -1.26 -4.84 135.00 137.56 1se9 s PRO 43 Ca 0.16 1.15 0.27 0.00 0.02 0.00 0.00 61.00 62.60 1se9 s PRO 43 Cb -0.12 -4.12 0.97 0.00 0.02 0.00 0.00 34.50 31.26 1se9 s PRO 43 CO 0.05 -1.74 1.84 0.00 -0.33 0.00 0.00 177.00 176.82 1se9 h ARG 44 N 11.85 0.00 0.00 5.54 -0.00 -1.84 -2.45 114.38 127.48 1se9 h ARG 44 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1se9 h ARG 44 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.11 1se9 h ARG 44 CO 1.07 0.14 0.00 1.05 0.00 0.00 0.00 179.97 182.22 1se9 h GLU 45 N 0.00 0.00 -6.11 0.04 4.11 -1.93 -3.44 114.58 107.25 1se9 h GLU 45 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 1se9 h GLU 45 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1se9 h GLU 45 CO 0.02 0.00 1.39 1.17 0.07 0.00 0.00 179.01 181.66 1se9 n LYS 46 N -2.86 2.16 -2.57 1.06 3.00 -0.92 -4.93 118.16 113.11 1se9 n LYS 46 Ca -0.01 0.68 -0.42 0.00 -0.00 0.00 0.00 58.31 58.56 1se9 n LYS 46 Cb 0.17 -3.07 -0.03 0.00 0.00 0.00 0.00 35.03 32.10 1se9 n LYS 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1se9 s GLU 47 N 5.66 4.49 -0.72 1.64 2.02 -1.26 -3.50 118.70 127.02 1se9 s GLU 47 Ca 0.98 1.59 -0.02 0.00 0.02 0.00 0.00 54.97 57.54 1se9 s GLU 47 Cb -0.43 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 1se9 s GLU 47 CO 0.40 -0.18 0.66 -1.71 0.02 0.00 0.00 175.26 174.45 1se9 n ASN 48 N 4.03 -6.50 -3.59 -0.19 5.15 -1.26 -4.83 115.26 108.08 1se9 n ASN 48 Ca 0.08 -0.26 -0.06 0.00 -0.60 0.00 0.00 54.58 53.73 1se9 n ASN 48 Cb 0.49 -4.56 -0.04 0.00 -0.53 0.00 0.00 39.78 35.14 1se9 n ASN 48 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1se9 s GLY 49 N -3.03 -0.21 -0.37 8.20 0.00 -1.23 -5.00 107.32 105.68 1se9 s GLY 49 Ca 0.15 1.97 -0.38 0.00 0.00 0.00 0.00 44.72 46.47 1se9 s GLY 49 CO 0.63 0.82 2.13 -1.05 0.00 0.00 0.00 173.10 175.63 1se9 n PRO 50 N 0.33 0.88 -0.07 2.90 -0.02 -1.26 -4.80 135.00 132.96 1se9 n PRO 50 Ca -0.05 0.25 -0.04 0.00 -2.02 0.00 0.00 63.50 61.65 1se9 n PRO 50 Cb 0.59 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1se9 n PRO 50 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1se9 n LYS 51 N 7.74 0.68 -4.40 -0.52 5.02 -1.26 -4.58 118.16 120.84 1se9 n LYS 51 Ca 0.42 -0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.49 1se9 n LYS 51 Cb 0.16 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1se9 s THR 52 N -2.78 0.80 0.41 -0.18 -4.23 -1.26 -4.85 115.64 103.56 1se9 s THR 52 Ca -0.09 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.56 1se9 s THR 52 Cb 0.08 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.41 1se9 s THR 52 CO 0.85 0.00 1.92 1.62 -0.54 0.00 0.00 174.62 178.47 1se9 h VAL 53 N 2.19 1.19 -0.30 2.29 3.04 -1.93 -2.94 116.25 119.78 1se9 h VAL 53 Ca -0.39 -0.88 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 1se9 h VAL 53 Cb 1.25 1.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.97 1se9 h VAL 53 CO 0.63 0.25 0.11 0.50 -1.01 0.00 0.00 177.57 178.06 1se9 h LYS 54 N 0.02 0.42 -0.47 4.17 3.64 -1.99 -2.61 116.57 119.76 1se9 h LYS 54 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1se9 h LYS 54 Cb 0.45 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1se9 h LYS 54 CO 0.03 0.36 0.00 -0.85 -2.27 0.00 0.00 179.45 176.73 1se9 n GLU 55 N -4.41 2.42 -4.82 1.90 0.28 -1.11 -4.85 120.64 110.06 1se9 n GLU 55 Ca 0.01 -2.16 -0.33 0.00 -0.16 0.00 0.00 57.16 54.52 1se9 n GLU 55 Cb 0.14 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.37 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1se9 s VAL 56 N -1.39 3.08 -0.19 3.84 1.01 -0.99 -4.07 120.40 121.69 1se9 s VAL 56 Ca 0.40 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1se9 s VAL 56 Cb 0.22 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1se9 s VAL 56 CO 0.30 0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 175.30 1se9 s LYS 57 N -0.12 3.22 -0.21 2.72 1.02 -1.17 -4.97 119.74 120.24 1se9 s LYS 57 Ca -0.01 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 1se9 s LYS 57 Cb -0.14 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1se9 s LYS 57 CO 0.03 -0.15 0.02 -1.17 -0.92 0.00 0.00 175.35 173.17 1se9 s LEU 58 N 1.26 3.38 -0.07 3.17 1.98 -1.26 -1.67 118.68 125.47 1se9 s LEU 58 Ca 0.03 -0.16 0.04 0.00 -2.89 0.00 0.00 54.13 51.15 1se9 s LEU 58 Cb -0.14 -1.87 0.00 0.00 0.66 0.00 0.00 46.19 44.85 1se9 s LEU 58 CO -0.06 0.06 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.65 1se9 s ILE 59 N 1.04 1.62 -0.05 6.68 1.01 0.57 -1.01 121.20 131.05 1se9 s ILE 59 Ca 0.03 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1se9 s ILE 59 Cb -0.14 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.93 1se9 s ILE 59 CO 0.02 0.46 -0.08 -0.94 0.00 0.00 0.00 174.94 174.40 1se9 s SER 60 N 0.35 1.26 -1.08 3.58 1.04 0.16 -0.17 113.70 118.85 1se9 s SER 60 Ca -0.13 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1se9 s SER 60 Cb -0.16 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1se9 s SER 60 CO 0.05 -0.00 0.00 0.00 0.98 0.00 0.00 173.24 174.27 1se9 n ALA 61 N 3.84 -0.15 -0.56 5.32 0.00 -1.26 -1.45 120.51 126.24 1se9 n ALA 61 Ca -0.24 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1se9 n ALA 61 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.97 0.66 2.96 0.00 0.00 -1.26 -5.06 105.19 101.52 1se9 n GLY 62 Ca -0.10 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.00 1.20 0.16 1.61 2.20 -0.53 -5.12 119.74 118.27 1se9 s LYS 63 Ca 0.00 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 1se9 s LYS 63 Cb 0.00 -1.07 -0.08 0.00 -1.51 0.00 0.00 37.83 35.17 1se9 s LYS 63 CO 0.00 -0.01 1.17 0.54 -0.36 0.00 0.00 175.35 176.69 1se9 s VAL 64 N 0.71 3.72 -0.03 4.02 0.11 -1.26 -0.66 120.40 127.00 1se9 s VAL 64 Ca -0.12 1.42 -0.17 0.00 -2.93 0.00 0.00 61.98 60.18 1se9 s VAL 64 Cb -0.14 -3.91 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1se9 s VAL 64 CO 0.02 0.22 0.46 -0.76 -3.33 0.00 0.00 175.10 171.70 1se9 s LEU 65 N -0.09 4.41 -0.26 2.54 1.43 -0.18 -4.94 118.68 121.59 1se9 s LEU 65 Ca 0.53 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 1se9 s LEU 65 Cb -0.31 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1se9 s LEU 65 CO 0.35 0.20 1.14 -0.70 0.23 0.00 0.00 176.35 177.56 1se9 s GLU 66 N -0.46 4.13 0.59 1.70 2.56 -1.26 -4.79 118.70 121.17 1se9 s GLU 66 Ca 0.25 1.30 0.32 0.00 0.00 0.00 0.00 54.97 56.84 1se9 s GLU 66 Cb -0.17 -3.74 1.83 0.00 2.00 0.00 0.00 34.13 34.06 1se9 s GLU 66 CO 0.13 -0.82 2.23 -2.95 -0.56 0.00 0.00 175.26 173.29 1se9 h ASN 67 N 8.11 0.00 0.76 -1.70 -0.00 -1.96 -1.60 115.58 119.19 1se9 h ASN 67 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.08 1se9 h ASN 67 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.39 1se9 h ASN 67 CO 1.01 0.03 0.00 -1.20 -0.00 0.00 0.00 177.43 177.27 1se9 n SER 68 N -3.65 0.09 -4.99 6.14 7.64 -1.26 -0.93 113.62 116.67 1se9 n SER 68 Ca -0.03 0.52 -0.19 0.00 1.01 0.00 0.00 58.87 60.18 1se9 n SER 68 Cb 0.12 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.03 3.00 0.42 1.43 1.02 -0.60 -4.91 119.74 117.07 1se9 s LYS 69 Ca 0.10 -0.97 0.08 0.00 0.02 0.00 0.00 55.97 55.20 1se9 s LYS 69 Cb 0.13 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1se9 s LYS 69 CO 0.39 -0.12 0.57 0.95 -0.92 0.00 0.00 175.35 176.22 1se9 s THR 70 N -2.31 3.03 0.38 2.17 -4.23 -1.26 -0.05 115.64 113.37 1se9 s THR 70 Ca 0.49 -0.99 0.10 0.00 -1.18 0.00 0.00 61.69 60.11 1se9 s THR 70 Cb -0.10 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.85 1se9 s THR 70 CO 0.33 -0.01 1.87 0.58 -0.54 0.00 0.00 174.62 176.85 1se9 h VAL 71 N 0.64 1.22 -0.66 2.29 2.07 -0.47 -2.15 116.25 119.19 1se9 h VAL 71 Ca -0.40 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.15 1se9 h VAL 71 Cb 1.28 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 1se9 h VAL 71 CO 0.45 0.30 0.44 0.50 0.02 0.00 0.00 177.57 179.28 1se9 h LYS 72 N 0.13 0.73 0.00 1.57 3.11 0.01 0.65 116.57 122.77 1se9 h LYS 72 Ca 0.02 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 1se9 h LYS 72 Cb 0.52 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1se9 h LYS 72 CO 0.04 0.48 -0.11 -0.44 -2.81 0.00 0.00 179.45 176.61 1se9 h ASP 73 N 0.75 0.00 -0.18 4.20 3.32 -1.65 -1.79 116.42 121.06 1se9 h ASP 73 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1se9 h ASP 73 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1se9 h ASP 73 CO -0.08 0.11 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 1se9 n TYR 74 N -3.98 0.23 -3.05 4.55 4.01 -0.39 -4.92 117.16 113.61 1se9 n TYR 74 Ca -0.02 -0.23 -0.43 0.00 -0.16 0.00 0.00 57.90 57.05 1se9 n TYR 74 Cb 0.20 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1se9 n TYR 74 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1se9 s ARG 75 N -1.00 3.29 0.09 -0.72 6.06 0.08 -5.04 118.95 121.72 1se9 s ARG 75 Ca 0.19 -0.38 -0.24 0.00 -2.50 0.00 0.00 55.73 52.81 1se9 s ARG 75 Cb 0.11 -3.98 -0.07 0.00 0.06 0.00 0.00 34.95 31.08 1se9 s ARG 75 CO 0.16 -1.12 0.73 -1.54 -2.50 0.00 0.00 175.30 171.03 1se9 s SER 76 N 2.23 7.25 -0.14 -2.12 1.04 -1.26 -4.91 113.70 115.78 1se9 s SER 76 Ca 0.24 1.48 -0.29 0.00 0.48 0.00 0.00 55.95 57.86 1se9 s SER 76 Cb -0.14 -2.46 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 1se9 s SER 76 CO 0.19 0.13 1.97 -2.84 0.98 0.00 0.00 173.24 173.68 1se9 s PRO 77 N -0.64 3.63 0.00 4.02 0.02 -1.26 -4.80 135.00 135.97 1se9 s PRO 77 Ca 0.36 2.11 0.24 0.00 0.02 0.00 0.00 61.00 63.73 1se9 s PRO 77 Cb -0.21 -4.21 0.32 0.00 0.02 0.00 0.00 34.50 30.41 1se9 s PRO 77 CO 0.23 -1.52 1.33 1.55 -0.33 0.00 0.00 177.00 178.26 1se9 n VAL 78 N 6.68 0.07 -0.90 3.83 3.14 -1.26 -5.04 118.33 124.86 1se9 n VAL 78 Ca 0.24 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 1se9 n VAL 78 Cb 0.44 1.32 0.00 0.00 -1.06 0.00 0.00 33.84 34.53 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 1.24 -4.32 -0.80 6.55 7.64 -1.26 -5.03 113.62 117.63 1se9 n SER 79 Ca 0.15 0.45 0.11 0.00 1.01 0.00 0.00 58.87 60.59 1se9 n SER 79 Cb 0.57 -1.94 -0.03 0.00 -1.01 0.00 0.00 64.21 61.81 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 0.39 -4.75 -4.76 6.43 5.15 -1.26 -4.86 115.26 111.61 1se9 n ASN 80 Ca 0.00 0.33 -0.29 0.00 -0.60 0.00 0.00 54.58 54.02 1se9 n ASN 80 Cb 0.00 -2.43 0.13 0.00 -0.53 0.00 0.00 39.78 36.95 1se9 n ASN 80 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1se9 s LEU 81 N -4.94 2.19 -0.28 1.20 2.34 -1.26 -5.05 118.68 112.87 1se9 s LEU 81 Ca 0.00 1.24 -0.04 0.00 0.06 0.00 0.00 54.13 55.38 1se9 s LEU 81 Cb 0.00 -3.65 0.15 0.00 -0.56 0.00 0.00 46.19 42.13 1se9 s LEU 81 CO 0.00 -2.48 0.56 0.00 -1.06 0.00 0.00 176.35 173.37 1se9 s ALA 82 N -3.10 -1.90 -0.75 1.48 0.00 -1.26 -5.06 121.76 111.16 1se9 s ALA 82 Ca 0.63 1.80 0.03 0.00 0.00 0.00 0.00 51.96 54.42 1se9 s ALA 82 Cb -0.16 -1.90 0.29 0.00 0.00 0.00 0.00 23.12 21.35 1se9 s ALA 82 CO 0.55 -1.15 1.07 0.41 0.00 0.00 0.00 175.76 176.63 1se9 n GLY 83 N 5.42 5.25 3.82 0.00 0.00 -1.23 -4.26 105.19 114.18 1se9 n GLY 83 Ca -0.05 -2.74 -0.25 0.00 0.00 0.00 0.00 46.02 42.98 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 -3.01 3.61 -0.15 4.61 0.00 -1.26 -4.74 121.76 120.81 1se9 s ALA 84 Ca 0.40 -1.26 -0.25 0.00 0.00 0.00 0.00 51.96 50.85 1se9 s ALA 84 Cb 0.17 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1se9 s ALA 84 CO -0.03 0.43 0.82 0.54 0.00 0.00 0.00 175.76 177.52 1se9 s VAL 85 N -1.86 4.90 -0.22 0.00 0.11 -1.26 -2.31 120.40 119.77 1se9 s VAL 85 Ca 0.32 1.62 -0.10 0.00 -2.93 0.00 0.00 61.98 60.89 1se9 s VAL 85 Cb -0.09 -4.13 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 1se9 s VAL 85 CO 0.24 0.06 0.14 -0.89 -3.33 0.00 0.00 175.10 171.32 1se9 s THR 86 N 1.91 5.23 -0.29 5.04 2.01 0.23 -4.97 115.64 124.79 1se9 s THR 86 Ca 0.39 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 62.38 1se9 s THR 86 Cb -0.17 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1se9 s THR 86 CO 0.14 0.38 0.30 -0.89 -0.69 0.00 0.00 174.62 173.86 1se9 s THR 87 N 0.86 5.22 -0.06 -0.82 2.01 -1.26 -0.81 115.64 120.78 1se9 s THR 87 Ca 0.07 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1se9 s THR 87 Cb -0.13 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1se9 s THR 87 CO 0.03 0.12 -0.11 -0.04 -0.69 0.00 0.00 174.62 173.93 1se9 s MET 88 N 1.94 2.66 -0.19 4.92 -1.94 -0.66 -4.84 119.30 121.19 1se9 s MET 88 Ca 0.11 -0.63 -0.22 0.00 -1.71 0.00 0.00 55.69 53.24 1se9 s MET 88 Cb -0.16 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.17 1se9 s MET 88 CO 0.11 0.61 0.68 -1.58 -0.01 0.00 0.00 175.02 174.83 1se9 s HIS 89 N -0.69 3.39 -0.08 -0.03 2.46 0.76 0.28 115.29 121.37 1se9 s HIS 89 Ca 0.10 1.01 0.01 0.00 0.47 0.00 0.00 55.06 56.65 1se9 s HIS 89 Cb -0.11 -2.85 -0.02 0.00 -0.13 0.00 0.00 32.58 29.47 1se9 s HIS 89 CO 0.01 -0.18 -0.11 0.54 -2.47 0.00 0.00 174.74 172.53 1se9 s VAL 90 N 1.94 3.31 -0.22 0.89 0.11 -0.01 -0.32 120.40 126.10 1se9 s VAL 90 Ca 0.31 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.72 1se9 s VAL 90 Cb -0.16 -2.35 -0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1se9 s VAL 90 CO 0.11 0.57 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.76 1se9 s ILE 91 N -0.37 3.21 -0.24 7.04 1.01 -0.67 -2.35 121.20 128.82 1se9 s ILE 91 Ca 0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 1se9 s ILE 91 Cb -0.12 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1se9 s ILE 91 CO 0.02 0.40 0.29 -0.63 0.00 0.00 0.00 174.94 175.02 1se9 s ILE 92 N 1.44 5.26 -0.09 2.92 -1.09 -1.26 -3.01 121.20 125.37 1se9 s ILE 92 Ca 0.05 0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.92 1se9 s ILE 92 Cb -0.14 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1se9 s ILE 92 CO -0.04 0.26 -0.09 -1.10 -1.23 0.00 0.00 174.94 172.74 1se9 s GLN 93 N 1.46 1.52 0.36 2.79 -0.21 -1.26 -5.08 119.66 119.23 1se9 s GLN 93 Ca 0.13 -0.29 -0.28 0.00 0.02 0.00 0.00 55.36 54.93 1se9 s GLN 93 Cb -0.15 -1.45 -0.11 0.00 1.00 0.00 0.00 33.01 32.31 1se9 s GLN 93 CO 0.08 -0.14 1.39 0.00 -2.12 0.00 0.00 175.29 174.49 1se9 s ALA 94 N 1.26 3.52 1.21 6.09 0.00 -1.26 -4.68 121.76 127.89 1se9 s ALA 94 Ca -0.04 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1se9 s ALA 94 Cb -0.14 -3.54 0.29 0.00 0.00 0.00 0.00 23.12 19.73 1se9 s ALA 94 CO -0.03 -0.84 1.05 -1.25 0.00 0.00 0.00 175.76 174.69 1se9 s PRO 95 N -1.95 -1.27 -0.10 0.00 0.04 -1.26 -4.94 135.00 125.51 1se9 s PRO 95 Ca 0.51 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 1se9 s PRO 95 Cb -0.43 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1se9 s PRO 95 CO 0.57 -3.80 1.35 0.08 0.04 0.00 0.00 177.00 175.24 1se9 s VAL 96 N -2.75 4.06 -0.26 -0.36 1.01 -1.26 -3.66 120.40 117.18 1se9 s VAL 96 Ca 0.69 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 1se9 s VAL 96 Cb -0.15 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1se9 s VAL 96 CO 0.58 -0.08 0.25 0.41 0.00 0.00 0.00 175.10 176.26 1se9 n THR 97 N 5.18 -8.38 -3.39 3.92 -1.04 -1.26 -4.99 114.28 104.32 1se9 n THR 97 Ca 0.14 0.85 -0.41 0.00 -2.04 0.00 0.00 64.05 62.58 1se9 n THR 97 Cb 0.44 -6.13 -0.09 0.00 -1.82 0.00 0.00 70.33 62.73 1se9 n THR 97 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1se9 s GLU 98 N -1.71 3.42 -0.22 -2.82 1.03 -1.24 -4.72 118.70 112.44 1se9 s GLU 98 Ca 0.10 -0.54 -0.02 0.00 0.03 0.00 0.00 54.97 54.55 1se9 s GLU 98 Cb -0.03 -3.85 0.01 0.00 -0.80 0.00 0.00 34.13 29.45 1se9 s GLU 98 CO 0.52 -0.61 0.03 1.17 -1.33 0.00 0.00 175.26 175.04 1se9 n LYS 99 N 5.41 -2.95 -0.05 -4.83 4.81 -1.26 -4.73 118.16 114.56 1se9 n LYS 99 Ca -0.09 2.44 -0.15 0.00 -0.87 0.00 0.00 58.31 59.65 1se9 n LYS 99 Cb 0.49 -4.35 -0.08 0.00 0.02 0.00 0.00 35.03 31.11 1se9 n LYS 99 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1se9 h GLU 100 N 3.37 0.49 -0.01 1.64 4.81 -2.01 -3.48 114.58 119.40 1se9 h GLU 100 Ca -0.07 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1se9 h GLU 100 Cb 0.35 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1se9 h GLU 100 CO 0.07 0.96 0.00 1.17 -0.73 0.00 0.00 179.01 180.47