#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 -1.60 -0.37 0.62 0.00 -1.25 -5.01 121.76 114.15 1se9 s ALA 2 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1se9 s ALA 2 Cb 0.00 -1.97 0.11 0.00 0.00 0.00 0.00 23.12 21.26 1se9 s ALA 2 CO 0.00 -1.40 0.13 -1.21 0.00 0.00 0.00 175.76 173.27 1se9 s GLU 3 N 2.67 1.21 0.01 0.00 2.02 -1.26 -3.53 118.70 119.82 1se9 s GLU 3 Ca 0.15 -1.69 0.06 0.00 0.02 0.00 0.00 54.97 53.51 1se9 s GLU 3 Cb -0.14 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1se9 s GLU 3 CO -0.20 -1.02 -0.17 0.08 0.02 0.00 0.00 175.26 173.96 1se9 s VAL 4 N 0.93 1.38 -1.15 2.63 1.01 -1.26 -5.06 120.40 118.88 1se9 s VAL 4 Ca 0.12 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1se9 s VAL 4 Cb -0.20 -1.19 0.24 0.00 0.00 0.00 0.00 36.38 35.23 1se9 s VAL 4 CO -0.12 0.25 1.28 0.00 0.00 0.00 0.00 175.10 176.51 1se9 n HIS 5 N 2.26 4.91 0.00 5.22 1.44 -1.26 -3.99 115.22 123.81 1se9 n HIS 5 Ca -0.16 -3.61 0.00 0.00 -2.01 0.00 0.00 57.72 51.94 1se9 n HIS 5 Cb 0.54 -1.85 0.00 0.00 0.12 0.00 0.00 29.99 28.80 1se9 n HIS 5 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1se9 n ASN 6 N 3.61 0.00 -4.99 4.39 2.85 -1.26 -5.12 115.26 114.75 1se9 n ASN 6 Ca 0.29 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.57 1se9 n ASN 6 Cb 0.40 0.19 -0.01 0.00 1.24 0.00 0.00 39.78 41.60 1se9 n ASN 6 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1se9 s GLN 7 N -1.82 3.19 -0.09 1.20 -0.21 -1.26 -4.98 119.66 115.70 1se9 s GLN 7 Ca 0.00 -0.96 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 1se9 s GLN 7 Cb 0.00 -2.84 -0.03 0.00 1.00 0.00 0.00 33.01 31.14 1se9 s GLN 7 CO 0.00 0.15 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.78 1se9 s LEU 8 N -4.13 3.39 0.14 2.90 1.02 -0.54 -4.75 118.68 116.71 1se9 s LEU 8 Ca 0.43 0.04 -0.18 0.00 0.02 0.00 0.00 54.13 54.44 1se9 s LEU 8 Cb -0.09 -1.77 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 1se9 s LEU 8 CO 0.31 0.34 0.61 -1.61 0.02 0.00 0.00 176.35 176.02 1se9 s GLU 9 N -0.65 4.17 -0.03 1.70 8.01 -1.26 0.37 118.70 131.02 1se9 s GLU 9 Ca 0.10 0.72 0.05 0.00 0.01 0.00 0.00 54.97 55.85 1se9 s GLU 9 Cb -0.12 -3.05 -0.01 0.00 -4.31 0.00 0.00 34.13 26.64 1se9 s GLU 9 CO 0.02 0.52 -0.17 0.42 0.01 0.00 0.00 175.26 176.07 1se9 s ILE 10 N -1.33 1.35 0.04 -1.63 1.01 0.33 -0.66 121.20 120.32 1se9 s ILE 10 Ca 0.36 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1se9 s ILE 10 Cb -0.18 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1se9 s ILE 10 CO 0.20 0.39 -0.26 -1.59 0.00 0.00 0.00 174.94 173.68 1se9 s LYS 11 N -0.16 1.83 -0.24 2.79 -2.85 -0.09 -1.25 119.74 119.77 1se9 s LYS 11 Ca 0.01 -1.10 -0.08 0.00 -1.00 0.00 0.00 55.97 53.80 1se9 s LYS 11 Cb -0.09 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.65 1se9 s LYS 11 CO 0.01 0.52 0.09 -0.06 0.10 0.00 0.00 175.35 176.01 1se9 s PHE 12 N -0.81 3.15 -0.21 1.78 0.08 -1.24 -0.72 117.98 120.03 1se9 s PHE 12 Ca 0.12 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 56.99 1se9 s PHE 12 Cb -0.10 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1se9 s PHE 12 CO 0.02 -0.18 -0.13 0.50 -0.10 0.00 0.00 175.22 175.32 1se9 s ARG 13 N 1.33 2.92 0.65 0.44 3.52 0.88 -0.04 118.95 128.65 1se9 s ARG 13 Ca 0.05 -0.90 -0.15 0.00 -0.13 0.00 0.00 55.73 54.60 1se9 s ARG 13 Cb -0.15 -2.77 -0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1se9 s ARG 13 CO 0.04 -0.30 1.12 -0.51 -0.81 0.00 0.00 175.30 174.85 1se9 s LEU 14 N 1.30 3.42 0.44 -0.88 1.02 0.87 -0.36 118.68 124.48 1se9 s LEU 14 Ca 0.02 2.04 0.29 0.00 0.02 0.00 0.00 54.13 56.50 1se9 s LEU 14 Cb -0.15 -4.56 1.58 0.00 0.02 0.00 0.00 46.19 43.09 1se9 s LEU 14 CO -0.09 -1.63 1.90 0.00 0.02 0.00 0.00 176.35 176.56 1se9 h THR 15 N 0.12 0.00 0.00 5.49 1.03 -1.40 0.15 112.91 118.30 1se9 h THR 15 Ca -0.47 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1se9 h THR 15 Cb 1.25 0.68 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 1se9 h THR 15 CO 0.54 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.52 1se9 n ASP 16 N -2.54 0.00 0.00 0.00 9.92 -1.26 -4.87 116.55 117.81 1se9 n ASP 16 Ca -0.02 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1se9 n ASP 16 Cb 0.06 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 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 1.01 0.72 3.80 0.44 0.00 0.04 -5.05 105.19 106.15 1se9 n GLY 17 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.66 5.92 0.31 1.61 0.01 -1.24 -4.91 113.70 112.74 1se9 s SER 18 Ca 0.00 0.32 0.10 0.00 1.31 0.00 0.00 55.95 57.68 1se9 s SER 18 Cb 0.00 -1.82 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 1se9 s SER 18 CO 0.00 0.38 -0.09 1.51 0.41 0.00 0.00 173.24 175.45 1se9 s ASP 19 N -1.09 3.92 -0.08 2.44 -4.77 -1.26 -0.09 116.67 115.74 1se9 s ASP 19 Ca 0.16 -1.00 -0.02 0.00 -3.30 0.00 0.00 52.55 48.39 1se9 s ASP 19 Cb -0.12 -0.46 -0.03 0.00 -1.09 0.00 0.00 42.92 41.22 1se9 s ASP 19 CO 0.05 -0.09 0.02 -0.63 0.70 0.00 0.00 175.17 175.22 1se9 s ILE 20 N -2.50 4.41 0.33 2.11 1.01 0.95 -4.97 121.20 122.54 1se9 s ILE 20 Ca 0.32 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.46 1se9 s ILE 20 Cb -0.02 -2.87 -0.13 0.00 0.01 0.00 0.00 42.46 39.45 1se9 s ILE 20 CO 0.17 0.59 1.19 0.61 0.00 0.00 0.00 174.94 177.50 1se9 n GLY 21 N 2.05 0.29 3.76 6.18 0.00 -1.26 -3.59 105.19 112.63 1se9 n GLY 21 Ca -0.18 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.80 4.30 0.16 1.61 0.04 -1.26 -4.75 135.00 133.29 1se9 s PRO 22 Ca 0.57 2.27 0.10 0.00 0.04 0.00 0.00 61.00 63.98 1se9 s PRO 22 Cb -0.60 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1se9 s PRO 22 CO 0.61 -0.31 -0.23 0.21 0.04 0.00 0.00 177.00 177.33 1se9 s LYS 23 N -1.20 1.37 -0.11 4.56 2.20 -0.38 -3.87 119.74 122.30 1se9 s LYS 23 Ca 0.54 -1.40 -0.20 0.00 -0.36 0.00 0.00 55.97 54.54 1se9 s LYS 23 Cb -0.41 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1se9 s LYS 23 CO 0.49 0.36 0.57 0.00 -0.36 0.00 0.00 175.35 176.42 1se9 s ALA 24 N -1.58 3.44 -0.05 3.13 0.00 -1.23 -0.51 121.76 124.96 1se9 s ALA 24 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1se9 s ALA 24 Cb -0.08 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1se9 s ALA 24 CO 0.07 -0.12 -0.13 -0.06 0.00 0.00 0.00 175.76 175.53 1se9 s PHE 25 N 0.88 1.41 0.53 0.00 0.40 0.16 -4.86 117.98 116.50 1se9 s PHE 25 Ca 0.30 -0.43 -0.20 0.00 -0.60 0.00 0.00 56.93 55.99 1se9 s PHE 25 Cb -0.16 -0.99 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 1se9 s PHE 25 CO 0.13 -0.19 1.18 -2.14 0.70 0.00 0.00 175.22 174.90 1se9 s PRO 26 N 0.31 3.35 0.48 0.24 0.02 -1.26 -1.47 135.00 136.67 1se9 s PRO 26 Ca -0.07 1.76 0.26 0.00 0.02 0.00 0.00 61.00 62.97 1se9 s PRO 26 Cb -0.12 -2.12 1.16 0.00 0.02 0.00 0.00 34.50 33.44 1se9 s PRO 26 CO 0.02 -0.89 1.93 -0.44 -0.33 0.00 0.00 177.00 177.30 1se9 h ASP 27 N 1.37 0.00 0.58 2.53 3.32 -1.94 -2.44 116.42 119.85 1se9 h ASP 27 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1se9 h ASP 27 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1se9 h ASP 27 CO 0.57 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 1se9 n ALA 28 N -2.24 2.47 -1.97 3.45 0.00 -1.26 -0.68 120.51 120.28 1se9 n ALA 28 Ca -0.01 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1se9 n ALA 28 Cb 0.35 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 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 -2.58 3.99 0.54 0.00 2.01 -0.92 -4.84 115.64 113.83 1se9 s THR 29 Ca 0.28 1.82 -0.13 0.00 0.31 0.00 0.00 61.69 63.96 1se9 s THR 29 Cb 0.20 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1se9 s THR 29 CO 0.46 0.36 0.97 0.42 -0.69 0.00 0.00 174.62 176.14 1se9 s THR 30 N -0.60 4.64 0.51 -0.82 -4.23 -1.26 -0.62 115.64 113.26 1se9 s THR 30 Ca 0.46 0.98 0.15 0.00 -1.18 0.00 0.00 61.69 62.11 1se9 s THR 30 Cb -0.28 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.04 1se9 s THR 30 CO 0.34 -0.84 2.12 0.58 -0.54 0.00 0.00 174.62 176.29 1se9 h VAL 31 N 0.48 1.02 -0.57 2.29 2.07 -0.75 -0.44 116.25 120.35 1se9 h VAL 31 Ca -0.46 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1se9 h VAL 31 Cb 1.19 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1se9 h VAL 31 CO 0.62 0.03 0.33 0.77 0.02 0.00 0.00 177.57 179.34 1se9 h SER 32 N 0.02 0.53 1.57 0.57 4.64 -1.72 0.10 113.55 119.25 1se9 h SER 32 Ca 0.00 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1se9 h SER 32 Cb 0.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1se9 h SER 32 CO 0.00 0.37 -0.19 0.00 -0.87 0.00 0.00 176.83 176.14 1se9 h ALA 33 N 1.26 0.90 -0.28 5.18 0.00 -1.52 -0.50 119.26 124.31 1se9 h ALA 33 Ca 0.24 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1se9 h ALA 33 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1se9 h ALA 33 CO -0.12 0.24 -0.09 1.25 0.00 0.00 0.00 179.25 180.54 1se9 h LEU 34 N 0.00 0.56 -0.64 0.00 5.85 -0.30 -2.57 115.31 118.21 1se9 h LEU 34 Ca -0.00 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.19 1se9 h LEU 34 Cb 1.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1se9 h LEU 34 CO 0.03 0.81 -0.62 0.11 -0.34 0.00 0.00 178.44 178.43 1se9 h LYS 35 N 0.30 0.23 -0.42 1.25 1.57 -0.63 -2.26 116.57 116.62 1se9 h LYS 35 Ca 0.07 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1se9 h LYS 35 Cb 0.58 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1se9 h LYS 35 CO 0.03 0.77 0.04 1.05 -0.57 0.00 0.00 179.45 180.77 1se9 h GLU 36 N 0.17 0.66 -0.45 3.15 -0.00 -1.05 -1.42 114.58 115.64 1se9 h GLU 36 Ca -0.01 -0.14 -0.10 0.00 -0.00 0.00 0.00 59.36 59.11 1se9 h GLU 36 Cb 1.12 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 29.76 1se9 h GLU 36 CO 0.09 0.65 -0.12 1.15 -0.00 0.00 0.00 179.01 180.78 1se9 h THR 37 N 0.63 1.26 -0.97 -1.06 2.02 -1.17 -2.70 112.91 110.92 1se9 h THR 37 Ca 0.13 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.13 1se9 h THR 37 Cb 0.34 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1se9 h THR 37 CO 0.01 0.41 0.64 0.58 0.37 0.00 0.00 175.52 177.53 1se9 h VAL 38 N 0.74 1.20 -0.79 3.16 2.07 -0.69 -1.04 116.25 120.90 1se9 h VAL 38 Ca 0.12 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1se9 h VAL 38 Cb 0.62 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1se9 h VAL 38 CO 0.04 0.23 0.49 0.40 0.02 0.00 0.00 177.57 178.75 1se9 h ILE 39 N 1.26 1.06 0.00 4.57 2.04 -1.06 0.79 117.51 126.17 1se9 h ILE 39 Ca 0.37 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 1se9 h ILE 39 Cb -0.06 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1se9 h ILE 39 CO -0.10 0.17 -0.32 0.77 0.00 0.00 0.00 178.15 178.66 1se9 h SER 40 N 0.92 0.00 0.68 1.72 4.64 -1.14 -3.16 113.55 117.22 1se9 h SER 40 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1se9 h SER 40 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1se9 h SER 40 CO -0.15 0.32 -0.89 -0.62 -0.87 0.00 0.00 176.83 174.63 1se9 n GLU 41 N -3.33 0.35 -2.61 4.77 -0.58 -0.49 -4.90 120.64 113.85 1se9 n GLU 41 Ca 0.01 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.39 1se9 n GLU 41 Cb 0.55 -1.66 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 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 -3.22 3.75 -0.38 -0.32 -0.11 0.19 -4.91 118.94 113.93 1se9 s TRP 42 Ca 0.04 1.76 -0.41 0.00 1.22 0.00 0.00 56.10 58.71 1se9 s TRP 42 Cb 0.13 -3.15 -0.16 0.00 -1.50 0.00 0.00 33.47 28.79 1se9 s TRP 42 CO 0.77 -0.13 1.95 -2.30 -4.62 0.00 0.00 176.95 172.62 1se9 n PRO 43 N 1.77 0.70 0.28 5.86 -0.02 -1.26 -4.83 135.00 137.49 1se9 n PRO 43 Ca -0.00 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1se9 n PRO 43 Cb 0.46 -1.98 0.81 0.00 -0.02 0.00 0.00 33.50 32.78 1se9 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1se9 h ARG 44 N 8.85 0.00 0.00 -0.52 3.08 -1.92 -1.94 114.38 121.92 1se9 h ARG 44 Ca -0.32 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.65 1se9 h ARG 44 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1se9 h ARG 44 CO 1.01 0.05 -0.41 1.49 -1.07 0.00 0.00 179.97 181.04 1se9 h GLU 45 N 0.00 0.00 -5.13 0.04 4.81 -2.03 -3.38 114.58 108.89 1se9 h GLU 45 Ca -0.00 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.52 1se9 h GLU 45 Cb 0.13 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.36 1se9 h GLU 45 CO 0.01 0.41 1.47 0.15 -0.73 0.00 0.00 179.01 180.32 1se9 s LYS 46 N -3.83 3.96 0.40 1.92 3.01 -0.73 -4.97 119.74 119.51 1se9 s LYS 46 Ca -0.01 -2.23 -0.21 0.00 -1.01 0.00 0.00 55.97 52.50 1se9 s LYS 46 Cb 0.13 -5.17 -0.11 0.00 -1.01 0.00 0.00 37.83 31.67 1se9 s LYS 46 CO 0.71 -1.91 0.93 -1.21 0.51 0.00 0.00 175.35 174.38 1se9 s GLU 47 N 2.56 4.28 -0.42 1.68 2.02 -1.26 -3.18 118.70 124.37 1se9 s GLU 47 Ca 0.44 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.55 1se9 s GLU 47 Cb -0.01 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1se9 s GLU 47 CO -0.00 0.04 0.00 0.09 0.02 0.00 0.00 175.26 175.41 1se9 n ASN 48 N -0.39 -4.16 -4.96 -0.19 3.02 -1.26 -5.02 115.26 102.30 1se9 n ASN 48 Ca 0.06 0.10 -0.22 0.00 -0.03 0.00 0.00 54.58 54.49 1se9 n ASN 48 Cb 0.53 -2.00 0.02 0.00 -0.61 0.00 0.00 39.78 37.72 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 -2.41 2.05 -0.64 7.41 0.00 -1.19 -3.91 107.32 108.63 1se9 s GLY 49 Ca 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 42.93 1se9 s GLY 49 CO 0.00 -1.76 1.91 -1.05 0.00 0.00 0.00 173.10 172.20 1se9 n PRO 50 N -1.92 1.59 -0.05 2.90 -0.02 -1.26 -4.46 135.00 131.77 1se9 n PRO 50 Ca 0.07 -1.16 -0.19 0.00 -2.02 0.00 0.00 63.50 60.20 1se9 n PRO 50 Cb 0.62 -2.27 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1se9 n PRO 50 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1se9 h LYS 51 N 6.32 0.08 -7.37 -0.52 1.57 -1.91 -3.42 116.57 111.31 1se9 h LYS 51 Ca 0.36 -0.13 -0.51 0.00 -1.87 0.00 0.00 60.65 58.50 1se9 h LYS 51 Cb 0.21 0.05 0.07 0.00 0.08 0.00 0.00 32.23 32.65 1se9 h LYS 51 CO 1.22 1.06 0.40 0.95 -0.57 0.00 0.00 179.45 182.51 1se9 s THR 52 N -2.34 4.30 0.55 -0.16 -4.23 -1.26 -3.62 115.64 108.88 1se9 s THR 52 Ca -0.22 0.75 0.23 0.00 -1.18 0.00 0.00 61.69 61.27 1se9 s THR 52 Cb 0.02 -3.66 0.33 0.00 1.34 0.00 0.00 72.50 70.53 1se9 s THR 52 CO 0.69 -0.98 2.11 1.62 -0.54 0.00 0.00 174.62 177.52 1se9 h VAL 53 N -0.50 0.76 -0.09 2.29 3.04 -1.92 -0.93 116.25 118.90 1se9 h VAL 53 Ca -0.44 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.11 1se9 h VAL 53 Cb 1.21 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 1se9 h VAL 53 CO 0.61 0.00 -0.55 0.11 -1.01 0.00 0.00 177.57 176.72 1se9 h LYS 54 N 0.00 0.26 0.00 4.17 1.57 -1.97 -3.30 116.57 117.30 1se9 h LYS 54 Ca 0.09 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1se9 h LYS 54 Cb 0.38 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1se9 h LYS 54 CO -0.00 0.74 -1.31 0.39 -0.57 0.00 0.00 179.45 178.70 1se9 n GLU 55 N -3.91 0.28 -3.46 3.15 -0.58 -0.39 -4.87 120.64 110.86 1se9 n GLU 55 Ca -0.02 -0.06 -0.37 0.00 -0.42 0.00 0.00 57.16 56.29 1se9 n GLU 55 Cb 0.58 -1.53 -0.07 0.00 -0.57 0.00 0.00 31.44 29.85 1se9 n GLU 55 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1se9 s VAL 56 N -3.21 5.26 -0.22 2.62 1.01 -1.02 -3.49 120.40 121.35 1se9 s VAL 56 Ca 0.02 0.66 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 1se9 s VAL 56 Cb 0.15 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1se9 s VAL 56 CO 0.86 0.35 -0.05 -0.54 0.00 0.00 0.00 175.10 175.72 1se9 s LYS 57 N 0.68 3.31 -0.26 2.72 1.02 -1.22 -4.95 119.74 121.05 1se9 s LYS 57 Ca 0.19 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 1se9 s LYS 57 Cb -0.14 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1se9 s LYS 57 CO 0.06 -0.21 0.18 -0.51 -0.92 0.00 0.00 175.35 173.95 1se9 s LEU 58 N 1.46 4.06 -0.21 3.17 2.01 -1.26 -1.92 118.68 125.98 1se9 s LEU 58 Ca 0.05 0.04 -0.04 0.00 0.01 0.00 0.00 54.13 54.20 1se9 s LEU 58 Cb -0.14 -2.12 -0.01 0.00 0.01 0.00 0.00 46.19 43.92 1se9 s LEU 58 CO -0.04 -0.01 -0.03 -0.63 1.01 0.00 0.00 176.35 176.65 1se9 s ILE 59 N 1.49 3.57 -0.05 -0.59 1.09 0.29 -1.09 121.20 125.91 1se9 s ILE 59 Ca 0.07 -0.44 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 1se9 s ILE 59 Cb -0.15 -2.62 0.01 0.00 -1.06 0.00 0.00 42.46 38.65 1se9 s ILE 59 CO 0.08 0.43 -0.10 -0.55 -0.10 0.00 0.00 174.94 174.70 1se9 s SER 60 N 1.26 1.45 -0.67 3.58 0.15 0.42 -0.32 113.70 119.58 1se9 s SER 60 Ca 0.03 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1se9 s SER 60 Cb -0.14 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1se9 s SER 60 CO -0.01 0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.45 1se9 n ALA 61 N 3.78 -0.10 -0.37 5.45 0.00 -1.26 -1.61 120.51 126.41 1se9 n ALA 61 Ca -0.23 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1se9 n ALA 61 Cb 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.98 0.81 3.00 0.00 0.00 -1.26 -5.06 105.19 101.70 1se9 n GLY 62 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.63 0.61 0.12 1.61 2.20 -0.63 -5.10 119.74 117.93 1se9 s LYS 63 Ca 0.00 -0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1se9 s LYS 63 Cb 0.00 -0.59 -0.06 0.00 -1.51 0.00 0.00 37.83 35.67 1se9 s LYS 63 CO 0.00 0.16 1.08 0.54 -0.36 0.00 0.00 175.35 176.77 1se9 s VAL 64 N -0.17 4.12 -0.21 4.02 0.11 -1.26 -0.44 120.40 126.57 1se9 s VAL 64 Ca 0.03 1.72 -0.14 0.00 -2.93 0.00 0.00 61.98 60.65 1se9 s VAL 64 Cb -0.03 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1se9 s VAL 64 CO -0.00 0.24 0.33 -1.48 -3.33 0.00 0.00 175.10 170.86 1se9 s LEU 65 N 0.11 4.15 0.37 2.54 2.34 -0.25 -4.94 118.68 123.00 1se9 s LEU 65 Ca 0.51 0.41 -0.18 0.00 0.06 0.00 0.00 54.13 54.93 1se9 s LEU 65 Cb -0.27 -2.40 -0.10 0.00 -0.56 0.00 0.00 46.19 42.86 1se9 s LEU 65 CO 0.32 -0.03 0.83 -0.70 -1.06 0.00 0.00 176.35 175.71 1se9 s GLU 66 N 1.20 4.10 0.53 1.48 2.12 -1.26 -4.66 118.70 122.21 1se9 s GLU 66 Ca 0.16 0.86 0.30 0.00 0.36 0.00 0.00 54.97 56.65 1se9 s GLU 66 Cb -0.14 -2.32 1.44 0.00 0.26 0.00 0.00 34.13 33.37 1se9 s GLU 66 CO 0.07 0.07 1.91 -0.91 -0.54 0.00 0.00 175.26 175.86 1se9 h ASN 67 N 2.09 0.03 0.73 -1.70 4.21 -1.98 -0.74 115.58 118.23 1se9 h ASN 67 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1se9 h ASN 67 Cb 1.18 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1se9 h ASN 67 CO 0.63 0.01 0.00 -1.20 -1.29 0.00 0.00 177.43 175.59 1se9 n SER 68 N -4.30 0.00 -4.99 5.81 7.64 -1.26 -2.66 113.62 113.86 1se9 n SER 68 Ca 0.17 0.18 -0.19 0.00 1.01 0.00 0.00 58.87 60.04 1se9 n SER 68 Cb 0.88 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.78 2.94 0.38 1.43 1.02 -0.28 -4.95 119.74 117.50 1se9 s LYS 69 Ca 0.20 -0.98 0.08 0.00 0.02 0.00 0.00 55.97 55.28 1se9 s LYS 69 Cb 0.19 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1se9 s LYS 69 CO 0.47 -0.19 0.35 0.99 -0.92 0.00 0.00 175.35 176.05 1se9 s THR 70 N -2.36 3.13 0.23 2.17 2.01 -1.26 -0.26 115.64 119.29 1se9 s THR 70 Ca 0.50 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1se9 s THR 70 Cb -0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1se9 s THR 70 CO 0.34 -0.09 1.56 0.58 -0.69 0.00 0.00 174.62 176.32 1se9 h VAL 71 N 1.10 1.35 -0.47 3.82 2.07 -0.82 -2.88 116.25 120.42 1se9 h VAL 71 Ca -0.43 -1.85 0.05 0.00 0.82 0.00 0.00 66.70 65.30 1se9 h VAL 71 Cb 1.26 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1se9 h VAL 71 CO 0.57 0.56 0.32 0.50 0.02 0.00 0.00 177.57 179.53 1se9 h LYS 72 N 0.28 0.42 -0.93 1.57 3.64 -1.14 -1.69 116.57 118.73 1se9 h LYS 72 Ca 0.00 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1se9 h LYS 72 Cb 1.06 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 1se9 h LYS 72 CO 0.09 0.28 0.59 -0.44 -2.27 0.00 0.00 179.45 177.71 1se9 h ASP 73 N 0.44 0.79 0.42 4.20 3.32 -1.78 -1.90 116.42 121.90 1se9 h ASP 73 Ca 0.20 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1se9 h ASP 73 Cb 0.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1se9 h ASP 73 CO -0.05 0.43 -0.98 -1.22 -1.72 0.00 0.00 179.24 175.69 1se9 n TYR 74 N -4.57 0.24 -1.65 4.55 4.02 -0.68 -4.87 117.16 114.19 1se9 n TYR 74 Ca 0.17 0.07 -0.30 0.00 -0.01 0.00 0.00 57.90 57.83 1se9 n TYR 74 Cb 0.38 -0.40 0.06 0.00 -0.02 0.00 0.00 39.34 39.36 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 -3.17 2.67 0.43 -0.72 3.00 -0.71 -4.95 118.95 115.49 1se9 s ARG 75 Ca 0.04 0.73 -0.24 0.00 0.00 0.00 0.00 55.73 56.26 1se9 s ARG 75 Cb 0.15 -1.98 -0.08 0.00 0.00 0.00 0.00 34.95 33.04 1se9 s ARG 75 CO 0.80 -1.23 1.11 0.45 0.00 0.00 0.00 175.30 176.43 1se9 s SER 76 N -3.98 6.46 1.15 0.23 0.15 -1.26 -4.94 113.70 111.51 1se9 s SER 76 Ca 0.59 2.18 -0.18 0.00 0.70 0.00 0.00 55.95 59.25 1se9 s SER 76 Cb -0.13 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.74 1se9 s SER 76 CO 0.54 -0.71 0.25 -2.65 1.20 0.00 0.00 173.24 171.87 1se9 n PRO 77 N -0.27 -2.01 -1.96 5.44 -0.02 -1.26 -4.78 135.00 130.14 1se9 n PRO 77 Ca 0.06 -0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 60.59 1se9 n PRO 77 Cb 0.49 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1se9 n PRO 77 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1se9 n VAL 78 N -4.64 2.73 -1.99 -1.45 0.31 -1.26 -3.20 118.33 108.83 1se9 n VAL 78 Ca 0.01 -2.68 -0.05 0.00 -0.01 0.00 0.00 64.34 61.62 1se9 n VAL 78 Cb 0.59 -2.33 -0.05 0.00 -0.91 0.00 0.00 33.84 31.15 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1se9 n SER 79 N 9.82 -0.65 -3.98 4.52 2.88 -1.26 -5.11 113.62 119.84 1se9 n SER 79 Ca 0.48 -1.63 -0.08 0.00 -1.33 0.00 0.00 58.87 56.31 1se9 n SER 79 Cb 0.44 0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.65 0.29 0.56 -3.46 2.47 -1.19 -5.13 114.94 107.82 1se9 s ASN 80 Ca 0.00 -0.73 -0.20 0.00 0.42 0.00 0.00 52.86 52.35 1se9 s ASN 80 Cb 0.00 0.23 -0.04 0.00 -1.45 0.00 0.00 41.25 39.99 1se9 s ASN 80 CO 0.00 -0.57 1.27 -0.76 -3.72 0.00 0.00 177.10 173.32 1se9 s LEU 81 N -2.52 3.78 -1.31 3.21 1.43 -1.26 -4.89 118.68 117.12 1se9 s LEU 81 Ca 0.01 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 1se9 s LEU 81 Cb 0.03 -4.42 0.13 0.00 0.03 0.00 0.00 46.19 41.96 1se9 s LEU 81 CO -0.08 -1.55 1.86 0.00 0.23 0.00 0.00 176.35 176.82 1se9 n ALA 82 N -1.25 4.98 0.00 4.21 0.00 -1.26 -4.05 120.51 123.14 1se9 n ALA 82 Ca 0.12 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1se9 n ALA 82 Cb 0.47 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1se9 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1se9 n GLY 83 N 3.52 0.00 3.60 0.00 0.00 -1.26 -4.82 105.19 106.23 1se9 n GLY 83 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 1se9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1se9 s ALA 84 N 0.00 3.54 0.09 4.61 0.00 -1.26 -4.93 121.76 123.81 1se9 s ALA 84 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 1se9 s ALA 84 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 1se9 s ALA 84 CO 0.00 -1.02 0.70 0.08 0.00 0.00 0.00 175.76 175.53 1se9 s VAL 85 N 2.49 4.61 -0.10 0.00 1.01 -1.26 -4.18 120.40 122.98 1se9 s VAL 85 Ca 0.23 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.75 1se9 s VAL 85 Cb -0.15 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1se9 s VAL 85 CO 0.11 0.48 -0.18 -0.89 0.00 0.00 0.00 175.10 174.62 1se9 s THR 86 N -0.74 1.65 -0.29 3.92 2.01 0.17 -5.00 115.64 117.36 1se9 s THR 86 Ca 0.34 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1se9 s THR 86 Cb -0.21 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1se9 s THR 86 CO 0.23 0.47 0.29 -0.89 -0.69 0.00 0.00 174.62 174.03 1se9 s THR 87 N 0.68 5.23 -0.13 -0.82 2.01 -1.26 -0.91 115.64 120.45 1se9 s THR 87 Ca -0.13 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1se9 s THR 87 Cb -0.16 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1se9 s THR 87 CO 0.03 0.13 0.04 -0.04 -0.69 0.00 0.00 174.62 174.08 1se9 s MET 88 N 1.92 3.45 -0.20 4.92 -1.94 0.11 -4.81 119.30 122.74 1se9 s MET 88 Ca 0.11 -0.36 -0.19 0.00 -1.71 0.00 0.00 55.69 53.53 1se9 s MET 88 Cb -0.16 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 1se9 s MET 88 CO 0.11 0.52 0.56 -1.01 -0.01 0.00 0.00 175.02 175.18 1se9 s HIS 89 N -0.35 3.37 -0.26 -0.03 3.76 0.56 -0.08 115.29 122.26 1se9 s HIS 89 Ca 0.08 0.81 -0.11 0.00 -0.15 0.00 0.00 55.06 55.70 1se9 s HIS 89 Cb -0.12 -2.72 -0.05 0.00 1.11 0.00 0.00 32.58 30.80 1se9 s HIS 89 CO 0.02 -0.14 0.18 0.08 -0.85 0.00 0.00 174.74 174.03 1se9 s VAL 90 N 1.77 5.34 -0.18 -0.90 1.01 0.51 -0.55 120.40 127.41 1se9 s VAL 90 Ca 0.25 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1se9 s VAL 90 Cb -0.16 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1se9 s VAL 90 CO 0.10 0.30 0.24 -0.63 0.00 0.00 0.00 175.10 175.11 1se9 s ILE 91 N 1.35 5.34 -0.33 2.22 -1.09 -0.81 -1.07 121.20 126.82 1se9 s ILE 91 Ca 0.08 0.42 -0.22 0.00 -2.23 0.00 0.00 60.65 58.69 1se9 s ILE 91 Cb -0.15 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.16 1se9 s ILE 91 CO 0.07 0.40 0.73 -0.63 -1.23 0.00 0.00 174.94 174.28 1se9 s ILE 92 N 0.50 4.83 -0.28 2.92 -1.09 -1.26 -3.40 121.20 123.41 1se9 s ILE 92 Ca 0.13 0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1se9 s ILE 92 Cb -0.12 -4.12 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1se9 s ILE 92 CO 0.02 -0.28 -0.05 -1.58 -1.23 0.00 0.00 174.94 171.82 1se9 s GLN 93 N 2.87 2.48 -0.20 2.79 0.74 -1.23 -5.08 119.66 122.04 1se9 s GLN 93 Ca 0.29 -1.22 -0.23 0.00 0.05 0.00 0.00 55.36 54.25 1se9 s GLN 93 Cb -0.14 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 30.90 1se9 s GLN 93 CO 0.14 -0.55 0.74 0.00 -0.55 0.00 0.00 175.29 175.07 1se9 s ALA 94 N 1.23 3.56 0.67 1.58 0.00 -1.26 -4.29 121.76 123.25 1se9 s ALA 94 Ca -0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1se9 s ALA 94 Cb -0.19 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1se9 s ALA 94 CO -0.03 -0.68 0.39 -2.30 0.00 0.00 0.00 175.76 173.14 1se9 n PRO 95 N 5.34 0.31 0.02 0.00 -0.02 -1.25 -4.95 135.00 134.45 1se9 n PRO 95 Ca 0.02 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.53 1se9 n PRO 95 Cb 0.49 -1.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 1se9 n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1se9 h VAL 96 N -0.20 1.05 -1.58 -1.45 2.07 -1.96 -3.45 116.25 110.74 1se9 h VAL 96 Ca -0.45 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 65.66 1se9 h VAL 96 Cb 1.37 1.81 -0.27 0.00 -1.52 0.00 0.00 31.29 32.69 1se9 h VAL 96 CO 0.43 0.29 -0.41 0.28 0.02 0.00 0.00 177.57 178.18 1se9 s THR 97 N -3.22 -0.74 -0.86 2.57 -1.32 -1.26 -5.09 115.64 105.72 1se9 s THR 97 Ca -0.14 -0.05 -0.20 0.00 -1.21 0.00 0.00 61.69 60.09 1se9 s THR 97 Cb -0.00 -0.88 0.11 0.00 -1.51 0.00 0.00 72.50 70.21 1se9 s THR 97 CO 0.52 -0.09 1.11 -0.70 -2.21 0.00 0.00 174.62 173.26 1se9 s GLU 98 N 2.65 3.46 -0.32 7.08 2.12 -1.26 -4.77 118.70 127.66 1se9 s GLU 98 Ca 0.15 -1.44 -0.06 0.00 0.36 0.00 0.00 54.97 53.99 1se9 s GLU 98 Cb -0.15 -4.77 0.19 0.00 0.26 0.00 0.00 34.13 29.66 1se9 s GLU 98 CO -0.18 -1.83 0.93 0.21 -0.54 0.00 0.00 175.26 173.85 1se9 s LYS 99 N 3.31 0.30 0.02 4.30 2.36 -1.26 -4.77 119.74 124.00 1se9 s LYS 99 Ca 0.31 0.06 -0.19 0.00 -2.55 0.00 0.00 55.97 53.60 1se9 s LYS 99 Cb -0.08 0.08 -0.11 0.00 -1.05 0.00 0.00 37.83 36.67 1se9 s LYS 99 CO -0.04 -0.49 1.10 0.93 1.55 0.00 0.00 175.35 178.40 1se9 h GLU 100 N 6.66 -0.67 -0.03 4.03 3.07 -2.08 -3.54 114.58 122.02 1se9 h GLU 100 Ca -0.04 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1se9 h GLU 100 Cb 1.20 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 1se9 h GLU 100 CO -0.03 -0.45 0.00 1.63 -1.40 0.00 0.00 179.01 178.76