#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 1.65 -0.26 0.62 0.00 -1.26 -5.08 121.76 117.44 1se9 s ALA 2 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1se9 s ALA 2 Cb 0.00 -1.11 0.14 0.00 0.00 0.00 0.00 23.12 22.16 1se9 s ALA 2 CO 0.00 -0.64 0.41 -2.00 0.00 0.00 0.00 175.76 173.53 1se9 s GLU 3 N 1.56 0.39 -0.19 0.00 2.12 -1.26 -4.99 118.70 116.33 1se9 s GLU 3 Ca 0.02 0.57 0.11 0.00 0.36 0.00 0.00 54.97 56.03 1se9 s GLU 3 Cb -0.14 -0.31 -0.23 0.00 0.26 0.00 0.00 34.13 33.71 1se9 s GLU 3 CO -0.09 -0.68 0.09 0.28 -0.54 0.00 0.00 175.26 174.33 1se9 n VAL 4 N 5.37 1.47 -2.78 3.70 0.31 -1.26 -4.63 118.33 120.52 1se9 n VAL 4 Ca -0.03 -0.76 -0.43 0.00 -0.01 0.00 0.00 64.34 63.11 1se9 n VAL 4 Cb 0.50 -0.88 -0.01 0.00 -0.91 0.00 0.00 33.84 32.55 1se9 n VAL 4 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1se9 s HIS 5 N -2.52 3.07 -0.01 3.52 0.00 -1.26 -4.22 115.29 113.87 1se9 s HIS 5 Ca -0.17 -1.64 0.03 0.00 -3.00 0.00 0.00 55.06 50.29 1se9 s HIS 5 Cb 0.07 -4.49 -0.03 0.00 -4.00 0.00 0.00 32.58 24.13 1se9 s HIS 5 CO 0.77 -1.62 -0.09 1.21 -1.00 0.00 0.00 174.74 174.01 1se9 s ASN 6 N 3.73 4.50 0.00 7.38 3.84 -1.26 -5.04 114.94 128.08 1se9 s ASN 6 Ca 0.44 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.36 1se9 s ASN 6 Cb -0.01 -1.03 0.00 0.00 -0.55 0.00 0.00 41.25 39.66 1se9 s ASN 6 CO -0.01 0.30 0.00 0.00 -2.79 0.00 0.00 177.10 174.60 1se9 n GLN 7 N 1.77 3.30 -3.51 0.43 3.00 -1.26 -4.09 117.38 117.02 1se9 n GLN 7 Ca -0.16 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.45 1se9 n GLN 7 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.68 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1se9 s LEU 8 N 0.00 4.10 -0.26 1.08 1.02 -0.69 -3.27 118.68 120.67 1se9 s LEU 8 Ca 0.00 0.26 -0.19 0.00 0.02 0.00 0.00 54.13 54.23 1se9 s LEU 8 Cb 0.00 -2.30 -0.02 0.00 0.02 0.00 0.00 46.19 43.88 1se9 s LEU 8 CO 0.00 -0.04 0.55 -1.61 0.02 0.00 0.00 176.35 175.27 1se9 s GLU 9 N 1.41 4.09 -0.17 1.70 2.02 0.91 0.82 118.70 129.49 1se9 s GLU 9 Ca 0.13 0.40 -0.05 0.00 0.02 0.00 0.00 54.97 55.47 1se9 s GLU 9 Cb -0.15 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 1se9 s GLU 9 CO 0.07 -0.36 -0.01 0.42 0.02 0.00 0.00 175.26 175.40 1se9 s ILE 10 N 2.34 4.08 -0.05 -1.63 1.01 0.32 0.42 121.20 127.69 1se9 s ILE 10 Ca 0.23 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1se9 s ILE 10 Cb -0.16 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1se9 s ILE 10 CO 0.09 0.48 -0.20 -1.59 0.00 0.00 0.00 174.94 173.72 1se9 s LYS 11 N 0.43 2.53 -0.28 2.79 -2.85 -0.42 -1.62 119.74 120.33 1se9 s LYS 11 Ca -0.02 -0.80 -0.17 0.00 -1.00 0.00 0.00 55.97 53.98 1se9 s LYS 11 Cb -0.14 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.33 1se9 s LYS 11 CO 0.02 0.49 0.46 -0.06 0.10 0.00 0.00 175.35 176.37 1se9 s PHE 12 N -0.42 3.25 -0.34 1.78 0.08 -1.22 -1.41 117.98 119.69 1se9 s PHE 12 Ca 0.04 0.50 -0.14 0.00 0.12 0.00 0.00 56.93 57.45 1se9 s PHE 12 Cb -0.12 -2.69 -0.01 0.00 -0.57 0.00 0.00 43.02 39.63 1se9 s PHE 12 CO 0.02 -0.30 0.31 0.50 -0.10 0.00 0.00 175.22 175.65 1se9 s ARG 13 N 2.23 3.51 0.73 0.44 3.52 0.24 -1.17 118.95 128.46 1se9 s ARG 13 Ca 0.19 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 55.17 1se9 s ARG 13 Cb -0.16 -3.81 0.07 0.00 -1.56 0.00 0.00 34.95 29.49 1se9 s ARG 13 CO 0.10 -0.50 1.06 -0.51 -0.81 0.00 0.00 175.30 174.64 1se9 s LEU 14 N 1.89 2.73 0.52 -0.88 1.02 0.10 -0.42 118.68 123.64 1se9 s LEU 14 Ca 0.09 0.57 0.30 0.00 0.02 0.00 0.00 54.13 55.11 1se9 s LEU 14 Cb -0.17 -3.17 1.41 0.00 0.02 0.00 0.00 46.19 44.27 1se9 s LEU 14 CO 0.11 -1.68 2.02 0.71 0.02 0.00 0.00 176.35 177.54 1se9 h THR 15 N -0.73 0.37 -0.01 5.49 1.35 -1.86 -1.87 112.91 115.66 1se9 h THR 15 Ca -0.45 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1se9 h THR 15 Cb 1.32 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1se9 h THR 15 CO 0.62 0.10 -0.07 0.47 -0.25 0.00 0.00 175.52 176.39 1se9 n ASP 16 N -3.39 0.58 0.00 5.36 8.00 -1.26 -4.85 116.55 120.99 1se9 n ASP 16 Ca -0.01 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1se9 n ASP 16 Cb 0.28 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.21 0.63 3.87 0.44 0.00 -0.70 -5.03 105.19 105.60 1se9 n GLY 17 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.02 6.45 0.12 1.61 0.15 -1.26 -4.84 113.70 113.92 1se9 s SER 18 Ca 0.00 1.30 0.03 0.00 0.70 0.00 0.00 55.95 57.98 1se9 s SER 18 Cb 0.00 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1se9 s SER 18 CO 0.00 -0.58 -0.09 1.51 1.20 0.00 0.00 173.24 175.28 1se9 s ASP 19 N -3.48 1.50 -0.09 5.45 -4.77 -1.26 0.03 116.67 114.05 1se9 s ASP 19 Ca 0.54 -0.93 -0.02 0.00 -3.30 0.00 0.00 52.55 48.83 1se9 s ASP 19 Cb -0.10 0.02 -0.03 0.00 -1.09 0.00 0.00 42.92 41.72 1se9 s ASP 19 CO 0.38 -0.34 0.02 -0.63 0.70 0.00 0.00 175.17 175.30 1se9 s ILE 20 N -3.06 4.43 0.13 2.11 1.01 -0.32 -4.97 121.20 120.53 1se9 s ILE 20 Ca 0.11 -0.21 -0.35 0.00 0.00 0.00 0.00 60.65 60.21 1se9 s ILE 20 Cb 0.01 -2.87 -0.15 0.00 0.01 0.00 0.00 42.46 39.46 1se9 s ILE 20 CO -0.01 0.60 1.41 0.61 0.00 0.00 0.00 174.94 177.55 1se9 n GLY 21 N 2.11 0.68 3.73 6.18 0.00 -1.26 -3.40 105.19 113.23 1se9 n GLY 21 Ca -0.19 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 1se9 n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1se9 n PRO 22 N 2.71 2.32 -4.27 1.61 -0.04 -1.26 -4.80 135.00 131.28 1se9 n PRO 22 Ca 0.17 0.82 -0.19 0.00 -0.04 0.00 0.00 63.50 64.25 1se9 n PRO 22 Cb 0.24 -2.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.09 1se9 n PRO 22 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1se9 s LYS 23 N -2.07 1.10 -0.20 0.54 2.20 -0.64 -4.88 119.74 115.78 1se9 s LYS 23 Ca 0.56 -1.28 -0.21 0.00 -0.36 0.00 0.00 55.97 54.68 1se9 s LYS 23 Cb -0.51 -1.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.75 1se9 s LYS 23 CO 0.62 0.20 0.63 0.00 -0.36 0.00 0.00 175.35 176.44 1se9 s ALA 24 N -2.09 3.55 -0.17 3.13 0.00 -1.26 -0.52 121.76 124.39 1se9 s ALA 24 Ca 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1se9 s ALA 24 Cb -0.05 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.13 1se9 s ALA 24 CO 0.04 -0.58 -0.12 -0.06 0.00 0.00 0.00 175.76 175.04 1se9 s PHE 25 N 1.96 2.31 0.65 0.00 0.40 0.24 -4.93 117.98 118.62 1se9 s PHE 25 Ca 0.28 -1.42 -0.18 0.00 -0.60 0.00 0.00 56.93 55.02 1se9 s PHE 25 Cb -0.16 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 1se9 s PHE 25 CO 0.10 -0.71 1.24 -2.30 0.70 0.00 0.00 175.22 174.25 1se9 n PRO 26 N 4.72 1.05 -0.22 0.24 -0.02 -1.26 -1.71 135.00 137.80 1se9 n PRO 26 Ca -0.16 0.41 0.21 0.00 -2.02 0.00 0.00 63.50 61.95 1se9 n PRO 26 Cb 0.48 -2.47 0.56 0.00 -0.02 0.00 0.00 33.50 32.05 1se9 n PRO 26 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1se9 h ASP 27 N 0.47 0.31 -0.03 2.55 5.19 -1.95 -0.24 116.42 122.72 1se9 h ASP 27 Ca -0.50 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1se9 h ASP 27 Cb 1.34 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1se9 h ASP 27 CO 0.52 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.76 1se9 n ALA 28 N -2.56 2.62 -2.09 3.45 0.00 -1.26 -0.61 120.51 120.06 1se9 n ALA 28 Ca 0.19 -0.25 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1se9 n ALA 28 Cb 0.76 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.97 3.95 0.47 0.00 2.01 -0.10 -4.84 115.64 115.16 1se9 s THR 29 Ca 0.37 1.67 -0.16 0.00 0.31 0.00 0.00 61.69 63.88 1se9 s THR 29 Cb 0.18 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.54 1se9 s THR 29 CO 0.29 0.28 0.93 0.42 -0.69 0.00 0.00 174.62 175.86 1se9 s THR 30 N -0.20 4.55 0.36 -0.82 -4.23 -1.26 -0.41 115.64 113.63 1se9 s THR 30 Ca 0.49 1.16 0.22 0.00 -1.18 0.00 0.00 61.69 62.38 1se9 s THR 30 Cb -0.29 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 70.08 1se9 s THR 30 CO 0.34 -0.58 1.96 0.58 -0.54 0.00 0.00 174.62 176.39 1se9 h VAL 31 N 1.16 0.77 -0.18 2.29 2.07 -0.75 -1.71 116.25 119.91 1se9 h VAL 31 Ca -0.47 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1se9 h VAL 31 Cb 1.18 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1se9 h VAL 31 CO 0.62 0.20 0.02 0.77 0.02 0.00 0.00 177.57 179.20 1se9 h SER 32 N 0.00 -0.03 0.36 0.57 4.64 -1.73 0.38 113.55 117.75 1se9 h SER 32 Ca -0.00 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1se9 h SER 32 Cb 0.49 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1se9 h SER 32 CO 0.03 0.01 -0.46 0.00 -0.87 0.00 0.00 176.83 175.54 1se9 h ALA 33 N 1.14 1.13 -0.05 5.18 0.00 -1.77 0.32 119.26 125.21 1se9 h ALA 33 Ca 0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1se9 h ALA 33 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1se9 h ALA 33 CO -0.12 0.61 0.01 1.25 0.00 0.00 0.00 179.25 181.00 1se9 h LEU 34 N 0.10 0.08 -0.35 0.00 5.85 -0.81 0.03 115.31 120.21 1se9 h LEU 34 Ca 0.00 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1se9 h LEU 34 Cb 0.86 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1se9 h LEU 34 CO 0.07 0.27 0.21 0.50 -0.34 0.00 0.00 178.44 179.14 1se9 h LYS 35 N -0.12 0.41 -0.99 1.25 3.11 0.10 0.16 116.57 120.49 1se9 h LYS 35 Ca 0.02 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 57.91 1se9 h LYS 35 Cb 0.22 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.29 1se9 h LYS 35 CO -0.00 0.27 0.64 0.93 -2.81 0.00 0.00 179.45 178.48 1se9 h GLU 36 N 0.42 1.10 -0.51 1.90 4.39 -0.84 -0.87 114.58 120.18 1se9 h GLU 36 Ca 0.14 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1se9 h GLU 36 Cb -0.01 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1se9 h GLU 36 CO -0.06 0.73 -0.15 1.15 -1.16 0.00 0.00 179.01 179.52 1se9 h THR 37 N 1.13 1.27 0.07 1.13 2.02 -0.01 -2.12 112.91 116.39 1se9 h THR 37 Ca 0.44 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1se9 h THR 37 Cb 0.22 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1se9 h THR 37 CO -0.18 0.46 -0.08 0.58 0.37 0.00 0.00 175.52 176.66 1se9 h VAL 38 N 0.86 0.81 -0.32 3.16 2.07 0.53 0.33 116.25 123.68 1se9 h VAL 38 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1se9 h VAL 38 Cb 0.72 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1se9 h VAL 38 CO 0.06 0.00 0.15 0.40 0.02 0.00 0.00 177.57 178.19 1se9 h ILE 39 N -0.18 1.12 0.00 4.57 2.04 -1.21 0.72 117.51 124.57 1se9 h ILE 39 Ca 0.01 -0.34 -0.26 0.00 1.00 0.00 0.00 64.86 65.27 1se9 h ILE 39 Cb 0.18 0.71 0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1se9 h ILE 39 CO -0.04 0.13 -1.04 0.28 0.00 0.00 0.00 178.15 177.49 1se9 h SER 40 N 0.45 0.86 0.96 1.72 0.02 -0.62 -3.29 113.55 113.65 1se9 h SER 40 Ca 0.11 -0.69 -0.15 0.00 -0.84 0.00 0.00 61.79 60.22 1se9 h SER 40 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1se9 h SER 40 CO -0.02 1.49 -0.72 -0.33 -1.14 0.00 0.00 176.83 176.11 1se9 h GLU 41 N 0.37 0.00 -6.63 3.45 4.39 0.08 -3.43 114.58 112.82 1se9 h GLU 41 Ca -0.12 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.06 1se9 h GLU 41 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 1se9 h GLU 41 CO 0.20 0.72 0.47 -0.46 -1.16 0.00 0.00 179.01 178.78 1se9 s TRP 42 N -3.12 3.61 -0.27 4.33 -0.11 0.20 -4.94 118.94 118.64 1se9 s TRP 42 Ca 0.01 1.60 -0.28 0.00 1.22 0.00 0.00 56.10 58.65 1se9 s TRP 42 Cb 0.10 -3.26 -0.04 0.00 -1.50 0.00 0.00 33.47 28.78 1se9 s TRP 42 CO 0.77 -0.55 2.13 -2.14 -4.62 0.00 0.00 176.95 172.54 1se9 s PRO 43 N -0.18 3.09 0.48 5.86 0.02 -1.26 -4.80 135.00 138.22 1se9 s PRO 43 Ca 0.50 1.81 0.27 0.00 0.02 0.00 0.00 61.00 63.60 1se9 s PRO 43 Cb -0.28 -4.35 1.18 0.00 0.02 0.00 0.00 34.50 31.07 1se9 s PRO 43 CO 0.34 -2.15 1.93 0.00 -0.33 0.00 0.00 177.00 176.79 1se9 h ARG 44 N 14.88 0.00 0.00 5.54 3.08 -1.87 -1.04 114.38 134.97 1se9 h ARG 44 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1se9 h ARG 44 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1se9 h ARG 44 CO 1.00 0.16 0.00 -1.91 -1.07 0.00 0.00 179.97 178.15 1se9 n GLU 45 N -3.42 0.02 -1.49 0.04 2.13 -1.26 -4.80 120.64 111.86 1se9 n GLU 45 Ca -0.00 0.23 -0.32 0.00 0.66 0.00 0.00 57.16 57.73 1se9 n GLU 45 Cb 0.35 -1.53 0.07 0.00 0.27 0.00 0.00 31.44 30.59 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 -3.03 2.57 0.68 5.31 2.47 -0.40 -5.04 119.74 122.31 1se9 s LYS 46 Ca 0.08 1.20 -0.11 0.00 -1.56 0.00 0.00 55.97 55.57 1se9 s LYS 46 Cb 0.11 -1.93 0.17 0.00 -1.46 0.00 0.00 37.83 34.72 1se9 s LYS 46 CO 0.32 -1.40 0.47 0.39 0.16 0.00 0.00 175.35 175.28 1se9 n GLU 47 N -3.07 -2.93 -1.50 4.03 4.71 -1.26 -4.79 120.64 115.82 1se9 n GLU 47 Ca 0.09 -0.77 -0.41 0.00 -0.01 0.00 0.00 57.16 56.06 1se9 n GLU 47 Cb 0.53 -0.88 -0.04 0.00 -1.01 0.00 0.00 31.44 30.04 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 -4.22 3.10 0.00 1.62 4.13 -1.26 -4.69 115.26 113.93 1se9 n ASN 48 Ca 0.07 -2.74 0.00 0.00 1.68 0.00 0.00 54.58 53.59 1se9 n ASN 48 Cb 0.29 -1.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.16 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1se9 n GLY 49 N 4.62 3.08 3.77 7.41 0.00 -1.26 -4.23 105.19 118.57 1se9 n GLY 49 Ca 0.50 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 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 3.93 4.32 0.00 1.61 0.02 -1.26 -4.68 135.00 138.94 1se9 s PRO 50 Ca 0.00 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1se9 s PRO 50 Cb 0.00 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1se9 s PRO 50 CO 0.00 -0.25 0.00 1.17 -0.33 0.00 0.00 177.00 177.59 1se9 n LYS 51 N 0.89 0.00 -4.54 5.54 4.81 -1.26 -4.98 118.16 118.62 1se9 n LYS 51 Ca 0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1se9 n LYS 51 Cb 0.41 -0.26 -0.09 0.00 0.02 0.00 0.00 35.03 35.11 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 -1.00 1.88 0.58 3.15 -4.23 -1.26 -4.73 115.64 110.03 1se9 s THR 52 Ca 0.00 -1.93 0.28 0.00 -1.18 0.00 0.00 61.69 58.86 1se9 s THR 52 Cb 0.00 -2.82 0.37 0.00 1.34 0.00 0.00 72.50 71.40 1se9 s THR 52 CO 0.00 0.00 2.00 1.62 -0.54 0.00 0.00 174.62 177.70 1se9 h VAL 53 N 1.60 0.46 0.00 2.29 3.04 -1.94 0.14 116.25 121.85 1se9 h VAL 53 Ca -0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1se9 h VAL 53 Cb 1.26 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1se9 h VAL 53 CO 0.77 0.00 -0.04 0.11 -1.01 0.00 0.00 177.57 177.40 1se9 h LYS 54 N 0.00 0.00 0.00 4.17 1.57 -2.02 -3.29 116.57 117.00 1se9 h LYS 54 Ca 0.17 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.60 1se9 h LYS 54 Cb 0.86 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 1se9 h LYS 54 CO -0.00 0.04 -2.14 0.39 -0.57 0.00 0.00 179.45 177.17 1se9 n GLU 55 N -3.17 0.44 -3.28 3.15 4.71 0.32 -4.94 120.64 117.87 1se9 n GLU 55 Ca 0.00 0.19 -0.41 0.00 -0.01 0.00 0.00 57.16 56.93 1se9 n GLU 55 Cb 0.31 -1.24 -0.08 0.00 -1.01 0.00 0.00 31.44 29.42 1se9 n GLU 55 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1se9 s VAL 56 N -2.38 5.05 0.06 2.62 0.11 -0.22 -3.28 120.40 122.36 1se9 s VAL 56 Ca -0.29 0.24 0.08 0.00 -2.93 0.00 0.00 61.98 59.09 1se9 s VAL 56 Cb 0.11 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 1se9 s VAL 56 CO 0.36 -0.21 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.17 1se9 s LYS 57 N 2.31 1.87 -0.24 1.54 1.02 -1.14 -4.41 119.74 120.69 1se9 s LYS 57 Ca 0.17 -1.09 -0.09 0.00 0.02 0.00 0.00 55.97 54.97 1se9 s LYS 57 Cb -0.16 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1se9 s LYS 57 CO 0.13 0.51 0.13 -0.51 -0.92 0.00 0.00 175.35 174.69 1se9 s LEU 58 N -1.56 3.92 -0.06 3.17 2.01 -1.26 -0.59 118.68 124.31 1se9 s LEU 58 Ca 0.14 0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.33 1se9 s LEU 58 Cb -0.10 -2.05 0.01 0.00 0.01 0.00 0.00 46.19 44.06 1se9 s LEU 58 CO 0.05 0.05 -0.12 -0.63 1.01 0.00 0.00 176.35 176.72 1se9 s ILE 59 N 1.13 1.09 -0.15 -0.59 1.01 0.41 -0.45 121.20 123.65 1se9 s ILE 59 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1se9 s ILE 59 Cb -0.14 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.35 1se9 s ILE 59 CO 0.05 0.35 -0.14 -0.44 0.00 0.00 0.00 174.94 174.75 1se9 s SER 60 N 0.71 2.71 -1.52 3.58 0.01 0.08 -1.01 113.70 118.25 1se9 s SER 60 Ca -0.14 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1se9 s SER 60 Cb -0.16 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1se9 s SER 60 CO 0.03 -0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.62 1se9 n ALA 61 N 4.77 -0.23 -0.72 1.44 0.00 -1.26 -1.78 120.51 122.73 1se9 n ALA 61 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1se9 n ALA 61 Cb 0.50 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.20 0.66 2.95 0.00 0.00 -1.26 -5.06 105.19 101.29 1se9 n GLY 62 Ca -0.15 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.50 1.53 0.11 1.61 2.47 -0.74 -5.12 119.74 118.10 1se9 s LYS 63 Ca 0.00 -0.30 -0.26 0.00 -1.56 0.00 0.00 55.97 53.86 1se9 s LYS 63 Cb 0.00 -1.45 -0.07 0.00 -1.46 0.00 0.00 37.83 34.85 1se9 s LYS 63 CO 0.00 -0.14 0.79 0.54 0.16 0.00 0.00 175.35 176.70 1se9 s VAL 64 N 1.25 4.53 -0.46 4.02 0.11 -1.26 -0.74 120.40 127.85 1se9 s VAL 64 Ca -0.04 1.72 -0.20 0.00 -2.93 0.00 0.00 61.98 60.53 1se9 s VAL 64 Cb -0.14 -4.15 0.04 0.00 -1.53 0.00 0.00 36.38 30.59 1se9 s VAL 64 CO -0.03 0.43 0.62 -0.76 -3.33 0.00 0.00 175.10 172.04 1se9 s LEU 65 N -0.55 4.68 0.28 2.54 1.02 0.40 -4.97 118.68 122.07 1se9 s LEU 65 Ca 0.38 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 53.98 1se9 s LEU 65 Cb -0.22 -2.60 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 1se9 s LEU 65 CO 0.25 -0.81 0.45 -1.61 0.02 0.00 0.00 176.35 174.65 1se9 s GLU 66 N 2.72 3.48 0.63 1.70 2.02 -1.26 -4.52 118.70 123.48 1se9 s GLU 66 Ca 0.19 -0.46 0.31 0.00 0.02 0.00 0.00 54.97 55.03 1se9 s GLU 66 Cb -0.16 -2.78 1.69 0.00 0.10 0.00 0.00 34.13 32.99 1se9 s GLU 66 CO 0.16 0.30 2.01 -2.95 0.02 0.00 0.00 175.26 174.80 1se9 h ASN 67 N 1.22 0.00 1.10 -0.19 7.08 -1.96 -0.77 115.58 122.05 1se9 h ASN 67 Ca -0.50 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.72 1se9 h ASN 67 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 1se9 h ASN 67 CO 0.63 0.00 0.00 0.28 -2.08 0.00 0.00 177.43 176.26 1se9 h SER 68 N 0.00 0.00 -2.40 6.14 0.02 -1.94 -3.18 113.55 112.19 1se9 h SER 68 Ca 0.07 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.57 1se9 h SER 68 Cb 0.66 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.23 1se9 h SER 68 CO -0.00 0.00 -0.13 -0.54 -1.14 0.00 0.00 176.83 175.01 1se9 s LYS 69 N -3.24 2.90 0.35 3.45 -0.14 -0.30 -4.96 119.74 117.80 1se9 s LYS 69 Ca 0.07 -0.73 0.09 0.00 -1.36 0.00 0.00 55.97 54.04 1se9 s LYS 69 Cb 0.10 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.59 1se9 s LYS 69 CO 0.49 -0.34 -0.05 0.99 -0.76 0.00 0.00 175.35 175.69 1se9 s THR 70 N -2.53 2.39 0.25 2.17 2.01 -1.26 -0.16 115.64 118.50 1se9 s THR 70 Ca 0.51 -2.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.39 1se9 s THR 70 Cb -0.10 -2.72 0.08 0.00 0.01 0.00 0.00 72.50 69.77 1se9 s THR 70 CO 0.36 -0.19 1.72 0.58 -0.69 0.00 0.00 174.62 176.40 1se9 h VAL 71 N 1.93 1.25 -0.78 3.82 2.07 -0.76 -2.62 116.25 121.16 1se9 h VAL 71 Ca -0.42 -1.15 0.17 0.00 0.82 0.00 0.00 66.70 66.12 1se9 h VAL 71 Cb 1.25 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1se9 h VAL 71 CO 0.69 0.39 0.53 0.50 0.02 0.00 0.00 177.57 179.70 1se9 h LYS 72 N 0.65 0.32 -0.84 1.57 3.64 -1.10 -0.98 116.57 119.83 1se9 h LYS 72 Ca 0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1se9 h LYS 72 Cb 0.58 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1se9 h LYS 72 CO 0.04 0.21 0.51 0.22 -2.27 0.00 0.00 179.45 178.16 1se9 h ASP 73 N 0.33 1.01 -0.32 4.20 1.82 -1.77 -2.25 116.42 119.44 1se9 h ASP 73 Ca 0.39 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1se9 h ASP 73 Cb 1.03 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1se9 h ASP 73 CO -0.11 0.77 0.00 -1.22 -1.61 0.00 0.00 179.24 177.07 1se9 n TYR 74 N -4.44 0.41 -2.59 0.28 4.01 -0.48 -4.79 117.16 109.56 1se9 n TYR 74 Ca 0.09 -0.21 -0.41 0.00 -0.16 0.00 0.00 57.90 57.21 1se9 n TYR 74 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.59 3.19 0.25 -0.72 6.06 -0.60 -4.99 118.95 120.56 1se9 s ARG 75 Ca 0.36 -0.34 -0.28 0.00 -2.50 0.00 0.00 55.73 52.97 1se9 s ARG 75 Cb 0.21 -4.21 -0.09 0.00 0.06 0.00 0.00 34.95 30.91 1se9 s ARG 75 CO 0.29 -2.11 0.92 -1.12 -2.50 0.00 0.00 175.30 170.78 1se9 s SER 76 N 3.76 7.52 -0.23 -2.12 0.01 -1.26 -4.98 113.70 116.39 1se9 s SER 76 Ca 0.33 1.87 -0.29 0.00 1.31 0.00 0.00 55.95 59.17 1se9 s SER 76 Cb -0.09 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1se9 s SER 76 CO 0.14 0.10 1.56 -2.84 0.41 0.00 0.00 173.24 172.61 1se9 s PRO 77 N -1.44 3.83 -0.10 12.44 0.02 -1.26 -4.93 135.00 143.56 1se9 s PRO 77 Ca 0.43 1.61 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 1se9 s PRO 77 Cb -0.23 -4.00 0.04 0.00 0.02 0.00 0.00 34.50 30.32 1se9 s PRO 77 CO 0.29 -1.24 0.40 0.08 -0.33 0.00 0.00 177.00 176.20 1se9 s VAL 78 N 5.00 0.02 -0.50 3.83 1.01 -1.26 -5.09 120.40 123.41 1se9 s VAL 78 Ca 0.69 -0.15 -0.45 0.00 0.00 0.00 0.00 61.98 62.07 1se9 s VAL 78 Cb -0.24 -0.62 -0.19 0.00 0.00 0.00 0.00 36.38 35.33 1se9 s VAL 78 CO 0.28 -0.08 1.95 -1.20 0.00 0.00 0.00 175.10 176.05 1se9 n SER 79 N 2.22 0.94 -4.51 3.32 7.64 -1.26 -4.85 113.62 117.12 1se9 n SER 79 Ca -0.16 0.86 -0.43 0.00 1.01 0.00 0.00 58.87 60.14 1se9 n SER 79 Cb 0.57 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 1se9 n SER 79 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1se9 s ASN 80 N 4.96 6.34 0.66 6.43 0.01 -1.26 -5.02 114.94 127.05 1se9 s ASN 80 Ca 1.15 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 52.93 1se9 s ASN 80 Cb -1.49 -2.39 0.12 0.00 0.41 0.00 0.00 41.25 37.91 1se9 s ASN 80 CO 0.71 -1.05 0.88 0.18 -1.51 0.00 0.00 177.10 176.31 1se9 n LEU 81 N 6.93 0.00 -4.49 0.60 7.99 -1.26 -5.00 117.00 121.77 1se9 n LEU 81 Ca 0.00 -2.13 -0.44 0.00 -0.01 0.00 0.00 56.01 53.43 1se9 n LEU 81 Cb 0.47 -0.53 -0.01 0.00 -0.11 0.00 0.00 43.42 43.24 1se9 n LEU 81 CO 0.60 -0.86 1.46 0.00 -1.51 0.00 0.00 177.39 177.07 1se9 s ALA 82 N -2.97 3.70 0.00 -1.18 0.00 -1.26 -4.49 121.76 115.56 1se9 s ALA 82 Ca 0.61 -3.12 0.00 0.00 0.00 0.00 0.00 51.96 49.44 1se9 s ALA 82 Cb -0.04 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1se9 s ALA 82 CO 0.40 -2.96 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1se9 n GLY 83 N 4.73 2.48 3.42 0.00 0.00 -1.26 -4.74 105.19 109.82 1se9 n GLY 83 Ca 0.37 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1se9 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1se9 s ALA 84 N 0.00 2.76 -0.15 4.61 0.00 -1.20 -5.04 121.76 122.74 1se9 s ALA 84 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1se9 s ALA 84 Cb 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1se9 s ALA 84 CO 0.00 0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.99 1se9 s VAL 85 N 0.35 3.41 -0.14 0.00 1.01 -1.26 -0.06 120.40 123.71 1se9 s VAL 85 Ca -0.09 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1se9 s VAL 85 Cb -0.15 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1se9 s VAL 85 CO 0.05 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1se9 s THR 86 N 0.45 1.76 -0.22 3.92 2.01 0.17 -4.93 115.64 118.80 1se9 s THR 86 Ca -0.07 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1se9 s THR 86 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1se9 s THR 86 CO 0.04 0.49 0.31 -0.89 -0.69 0.00 0.00 174.62 173.88 1se9 s THR 87 N 1.17 5.25 -0.01 -0.82 2.01 -1.26 -1.30 115.64 120.69 1se9 s THR 87 Ca -0.01 0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.56 1se9 s THR 87 Cb -0.14 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1se9 s THR 87 CO -0.07 0.28 -0.20 -0.32 -0.69 0.00 0.00 174.62 173.62 1se9 s MET 88 N 1.28 2.19 -0.03 4.92 1.75 -0.50 -4.96 119.30 123.95 1se9 s MET 88 Ca 0.15 -0.89 -0.26 0.00 -1.25 0.00 0.00 55.69 53.43 1se9 s MET 88 Cb -0.14 -2.18 -0.04 0.00 2.84 0.00 0.00 34.83 35.31 1se9 s MET 88 CO 0.07 0.57 0.82 -1.58 -0.65 0.00 0.00 175.02 174.25 1se9 s HIS 89 N -0.76 3.63 -0.14 4.11 2.46 -0.18 -0.59 115.29 123.81 1se9 s HIS 89 Ca 0.12 1.46 -0.07 0.00 0.47 0.00 0.00 55.06 57.05 1se9 s HIS 89 Cb -0.10 -2.94 -0.04 0.00 -0.13 0.00 0.00 32.58 29.37 1se9 s HIS 89 CO 0.02 0.07 0.09 0.08 -2.47 0.00 0.00 174.74 172.52 1se9 s VAL 90 N 0.79 5.04 -0.33 0.89 1.01 0.44 -0.45 120.40 127.79 1se9 s VAL 90 Ca 0.44 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 1se9 s VAL 90 Cb -0.19 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1se9 s VAL 90 CO 0.23 0.54 0.31 -0.63 0.00 0.00 0.00 175.10 175.54 1se9 s ILE 91 N -0.35 5.22 -0.46 2.22 -1.09 0.24 -4.27 121.20 122.71 1se9 s ILE 91 Ca 0.10 0.01 -0.15 0.00 -2.23 0.00 0.00 60.65 58.38 1se9 s ILE 91 Cb -0.12 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.08 1se9 s ILE 91 CO 0.02 -0.01 0.37 -0.63 -1.23 0.00 0.00 174.94 173.45 1se9 s ILE 92 N 1.90 5.14 -0.40 2.92 1.09 -1.26 -2.89 121.20 127.70 1se9 s ILE 92 Ca 0.10 -1.04 -0.16 0.00 -1.10 0.00 0.00 60.65 58.45 1se9 s ILE 92 Cb -0.17 -4.04 0.01 0.00 -1.06 0.00 0.00 42.46 37.20 1se9 s ILE 92 CO 0.11 -0.53 0.38 -1.10 -0.10 0.00 0.00 174.94 173.70 1se9 s GLN 93 N 1.63 3.18 -0.35 2.79 -0.21 -1.20 -5.04 119.66 120.45 1se9 s GLN 93 Ca 0.04 -0.75 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 1se9 s GLN 93 Cb -0.23 -3.93 -0.01 0.00 1.00 0.00 0.00 33.01 29.84 1se9 s GLN 93 CO 0.07 -0.74 0.35 0.00 -2.12 0.00 0.00 175.29 172.85 1se9 s ALA 94 N 1.98 3.49 0.71 6.09 0.00 -1.26 -4.00 121.76 128.78 1se9 s ALA 94 Ca 0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 1se9 s ALA 94 Cb -0.17 -2.83 0.13 0.00 0.00 0.00 0.00 23.12 20.25 1se9 s ALA 94 CO 0.12 -1.12 0.89 -0.35 0.00 0.00 0.00 175.76 175.30 1se9 n PRO 95 N 5.36 -0.09 -2.72 0.00 -0.04 -1.26 -5.07 135.00 131.18 1se9 n PRO 95 Ca -0.09 -2.33 -0.40 0.00 -0.04 0.00 0.00 63.50 60.64 1se9 n PRO 95 Cb 0.49 -0.62 -0.06 0.00 -0.04 0.00 0.00 33.50 33.28 1se9 n PRO 95 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1se9 s VAL 96 N -2.72 4.08 -0.09 0.52 1.01 -1.26 -4.80 120.40 117.14 1se9 s VAL 96 Ca 0.58 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 64.31 1se9 s VAL 96 Cb -0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1se9 s VAL 96 CO 0.39 0.46 1.54 -0.89 0.00 0.00 0.00 175.10 176.60 1se9 s THR 97 N -1.01 3.79 -0.10 3.92 2.01 -1.26 -4.86 115.64 118.13 1se9 s THR 97 Ca 0.42 0.96 -0.04 0.00 0.31 0.00 0.00 61.69 63.34 1se9 s THR 97 Cb -0.26 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 68.68 1se9 s THR 97 CO 0.32 -0.09 0.21 -0.70 -0.69 0.00 0.00 174.62 173.67 1se9 s GLU 98 N 3.91 0.09 0.26 4.92 2.12 -1.26 -5.00 118.70 123.73 1se9 s GLU 98 Ca 0.68 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.65 1se9 s GLU 98 Cb -0.29 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 33.93 1se9 s GLU 98 CO 0.25 -0.29 0.00 1.17 -0.54 0.00 0.00 175.26 175.85 1se9 n LYS 99 N 5.30 -1.59 -0.98 4.30 4.81 -1.26 -4.82 118.16 123.91 1se9 n LYS 99 Ca -0.06 1.21 0.00 0.00 -0.87 0.00 0.00 58.31 58.59 1se9 n LYS 99 Cb 0.50 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1se9 n LYS 99 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1se9 n GLU 100 N -3.38 -0.91 0.00 1.64 1.02 -1.26 -4.66 120.64 113.08 1se9 n GLU 100 Ca -0.02 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1se9 n GLU 100 Cb 0.34 -3.94 0.00 0.00 -0.02 0.00 0.00 31.44 27.82 1se9 n GLU 100 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48