#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 0.19 -0.91 0.62 0.00 -1.26 -5.06 121.76 115.34 1se9 s ALA 2 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1se9 s ALA 2 Cb 0.00 -1.93 0.16 0.00 0.00 0.00 0.00 23.12 21.35 1se9 s ALA 2 CO 0.00 -2.09 1.03 -1.83 0.00 0.00 0.00 175.76 172.87 1se9 s GLU 3 N 0.69 3.62 -0.20 0.00 1.03 -1.26 -4.99 118.70 117.58 1se9 s GLU 3 Ca 0.26 -2.01 -0.09 0.00 0.03 0.00 0.00 54.97 53.17 1se9 s GLU 3 Cb -0.05 -4.77 -0.04 0.00 -0.80 0.00 0.00 34.13 28.46 1se9 s GLU 3 CO -0.10 -1.62 0.11 0.08 -1.33 0.00 0.00 175.26 172.39 1se9 s VAL 4 N 1.86 5.07 -0.54 1.83 1.01 -1.26 -5.03 120.40 123.34 1se9 s VAL 4 Ca 0.29 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.38 1se9 s VAL 4 Cb -0.06 -3.32 0.16 0.00 0.00 0.00 0.00 36.38 33.16 1se9 s VAL 4 CO -0.09 0.42 0.38 -1.38 0.00 0.00 0.00 175.10 174.43 1se9 s HIS 5 N 0.60 2.28 -0.11 5.22 -3.43 -1.26 -4.72 115.29 113.87 1se9 s HIS 5 Ca 0.06 -2.76 0.14 0.00 -0.80 0.00 0.00 55.06 51.70 1se9 s HIS 5 Cb -0.12 -1.85 -0.20 0.00 -1.43 0.00 0.00 32.58 28.98 1se9 s HIS 5 CO 0.01 -0.70 0.14 0.09 -2.00 0.00 0.00 174.74 172.28 1se9 n ASN 6 N 2.64 1.34 -2.45 7.38 4.13 -1.26 -4.05 115.26 122.99 1se9 n ASN 6 Ca 0.21 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.44 1se9 n ASN 6 Cb 0.40 1.13 0.01 0.00 -1.54 0.00 0.00 39.78 39.78 1se9 n ASN 6 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1se9 n GLN 7 N -2.40 0.88 -3.45 3.52 3.00 -1.26 -3.03 117.38 114.65 1se9 n GLN 7 Ca -0.18 -0.47 -0.37 0.00 -0.01 0.00 0.00 57.00 55.97 1se9 n GLN 7 Cb 0.81 -0.05 -0.07 0.00 0.00 0.00 0.00 30.24 30.94 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 4.27 -0.19 1.08 1.02 -0.03 -3.42 118.68 121.42 1se9 s LEU 8 Ca 0.10 0.66 -0.18 0.00 0.02 0.00 0.00 54.13 54.73 1se9 s LEU 8 Cb -0.01 -2.52 -0.03 0.00 0.02 0.00 0.00 46.19 43.65 1se9 s LEU 8 CO 0.06 0.08 0.51 -1.61 0.02 0.00 0.00 176.35 175.41 1se9 s GLU 9 N 0.40 4.21 -0.19 1.70 2.02 0.22 0.62 118.70 127.68 1se9 s GLU 9 Ca 0.21 0.42 -0.05 0.00 0.02 0.00 0.00 54.97 55.57 1se9 s GLU 9 Cb -0.14 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 1se9 s GLU 9 CO 0.07 -0.10 0.01 0.42 0.02 0.00 0.00 175.26 175.68 1se9 s ILE 10 N 1.49 4.11 -0.05 -1.63 1.01 0.44 0.61 121.20 127.18 1se9 s ILE 10 Ca 0.24 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1se9 s ILE 10 Cb -0.15 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1se9 s ILE 10 CO 0.10 0.44 -0.25 -1.59 0.00 0.00 0.00 174.94 173.64 1se9 s LYS 11 N 0.84 2.46 -0.23 2.79 -2.85 -0.62 -1.67 119.74 120.45 1se9 s LYS 11 Ca 0.01 -0.89 -0.17 0.00 -1.00 0.00 0.00 55.97 53.92 1se9 s LYS 11 Cb -0.14 -2.11 -0.03 0.00 -2.06 0.00 0.00 37.83 33.48 1se9 s LYS 11 CO 0.02 0.39 0.46 -0.06 0.10 0.00 0.00 175.35 176.26 1se9 s PHE 12 N -0.20 3.31 -0.12 1.78 0.08 -1.20 -1.10 117.98 120.55 1se9 s PHE 12 Ca -0.02 0.63 0.03 0.00 0.12 0.00 0.00 56.93 57.68 1se9 s PHE 12 Cb -0.13 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1se9 s PHE 12 CO 0.03 -0.16 -0.22 0.50 -0.10 0.00 0.00 175.22 175.27 1se9 s ARG 13 N 1.86 3.07 0.74 0.44 3.52 0.67 0.25 118.95 129.50 1se9 s ARG 13 Ca 0.20 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 1se9 s ARG 13 Cb -0.15 -2.39 0.05 0.00 -1.56 0.00 0.00 34.95 30.90 1se9 s ARG 13 CO 0.09 0.11 1.09 -0.51 -0.81 0.00 0.00 175.30 175.27 1se9 s LEU 14 N 0.53 2.75 0.50 -0.88 1.43 0.14 -0.81 118.68 122.34 1se9 s LEU 14 Ca -0.14 0.77 0.33 0.00 -1.03 0.00 0.00 54.13 54.07 1se9 s LEU 14 Cb -0.17 -3.41 1.48 0.00 0.03 0.00 0.00 46.19 44.12 1se9 s LEU 14 CO 0.05 -1.61 1.98 0.71 0.23 0.00 0.00 176.35 177.70 1se9 h THR 15 N -0.76 0.00 -0.00 5.49 1.35 -1.86 -1.09 112.91 116.03 1se9 h THR 15 Ca -0.45 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1se9 h THR 15 Cb 1.30 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1se9 h THR 15 CO 0.64 0.00 -0.10 0.47 -0.25 0.00 0.00 175.52 176.27 1se9 n ASP 16 N -2.86 0.21 0.00 5.36 8.00 -1.26 -4.89 116.55 121.12 1se9 n ASP 16 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1se9 n ASP 16 Cb 0.23 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 1.38 0.75 3.74 0.44 0.00 -0.41 -5.04 105.19 106.06 1se9 n GLY 17 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.67 7.31 0.21 1.61 0.01 -1.26 -4.81 113.70 114.10 1se9 s SER 18 Ca 0.00 1.56 0.10 0.00 1.31 0.00 0.00 55.95 58.92 1se9 s SER 18 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1se9 s SER 18 CO 0.00 0.02 -0.20 1.51 0.41 0.00 0.00 173.24 174.98 1se9 s ASP 19 N -0.16 3.16 -0.08 2.44 -4.77 -1.26 0.28 116.67 116.27 1se9 s ASP 19 Ca 0.40 -0.94 -0.02 0.00 -3.30 0.00 0.00 52.55 48.69 1se9 s ASP 19 Cb -0.21 -0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 41.36 1se9 s ASP 19 CO 0.25 0.01 0.02 -0.63 0.70 0.00 0.00 175.17 175.52 1se9 s ILE 20 N -2.23 4.42 0.17 2.11 1.01 0.14 -4.98 121.20 121.84 1se9 s ILE 20 Ca 0.23 -0.25 -0.33 0.00 0.00 0.00 0.00 60.65 60.30 1se9 s ILE 20 Cb -0.05 -2.88 -0.15 0.00 0.01 0.00 0.00 42.46 39.38 1se9 s ILE 20 CO 0.10 0.58 1.24 0.61 0.00 0.00 0.00 174.94 177.47 1se9 n GLY 21 N 2.02 0.26 3.77 6.18 0.00 -1.26 -3.23 105.19 112.93 1se9 n GLY 21 Ca -0.18 0.56 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.19 3.79 0.26 1.61 0.04 -1.26 -4.73 135.00 134.52 1se9 s PRO 22 Ca 0.75 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.72 1se9 s PRO 22 Cb -0.83 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 1se9 s PRO 22 CO 0.50 -0.55 -0.09 0.15 0.04 0.00 0.00 177.00 177.06 1se9 s LYS 23 N -2.59 1.50 -0.21 4.56 3.01 -0.67 -4.90 119.74 120.44 1se9 s LYS 23 Ca 0.62 -1.73 -0.19 0.00 -1.01 0.00 0.00 55.97 53.66 1se9 s LYS 23 Cb -0.31 -1.18 -0.03 0.00 -1.01 0.00 0.00 37.83 35.30 1se9 s LYS 23 CO 0.38 0.09 0.56 0.00 0.51 0.00 0.00 175.35 176.89 1se9 s ALA 24 N -2.97 3.55 -0.07 5.17 0.00 -1.26 -0.42 121.76 125.76 1se9 s ALA 24 Ca 0.28 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1se9 s ALA 24 Cb 0.02 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1se9 s ALA 24 CO 0.11 -0.53 -0.12 -0.06 0.00 0.00 0.00 175.76 175.15 1se9 s PHE 25 N 1.84 1.49 0.61 0.00 0.40 0.20 -4.93 117.98 117.59 1se9 s PHE 25 Ca 0.25 -0.57 -0.19 0.00 -0.60 0.00 0.00 56.93 55.82 1se9 s PHE 25 Cb -0.16 -1.10 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 1se9 s PHE 25 CO 0.10 -0.30 1.17 -2.30 0.70 0.00 0.00 175.22 174.59 1se9 n PRO 26 N 3.90 1.14 0.28 0.24 -0.02 -1.26 -0.85 135.00 138.42 1se9 n PRO 26 Ca -0.22 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 61.85 1se9 n PRO 26 Cb 0.52 -2.38 0.80 0.00 -0.02 0.00 0.00 33.50 32.41 1se9 n PRO 26 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1se9 h ASP 27 N 0.71 0.00 -0.01 2.55 2.03 -1.97 -1.51 116.42 118.21 1se9 h ASP 27 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1se9 h ASP 27 Cb 1.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1se9 h ASP 27 CO 0.53 0.08 0.00 0.00 -1.03 0.00 0.00 179.24 178.82 1se9 n ALA 28 N -2.21 2.58 -1.89 4.15 0.00 -1.26 -0.07 120.51 121.81 1se9 n ALA 28 Ca -0.01 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1se9 n ALA 28 Cb 0.23 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.98 2.81 0.26 0.00 2.01 -0.57 -4.75 115.64 113.42 1se9 s THR 29 Ca 0.21 0.70 -0.21 0.00 0.31 0.00 0.00 61.69 62.70 1se9 s THR 29 Cb 0.10 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1se9 s THR 29 CO 0.16 0.12 0.79 0.28 -0.69 0.00 0.00 174.62 175.28 1se9 s THR 30 N -0.15 4.48 0.57 -0.82 -1.32 -1.26 -0.60 115.64 116.53 1se9 s THR 30 Ca 0.57 1.41 0.27 0.00 -1.21 0.00 0.00 61.69 62.74 1se9 s THR 30 Cb -0.40 -3.88 0.34 0.00 -1.51 0.00 0.00 72.50 67.05 1se9 s THR 30 CO 0.43 0.16 2.23 0.58 -2.21 0.00 0.00 174.62 175.81 1se9 h VAL 31 N 2.65 0.61 -0.53 5.08 2.07 -1.22 -1.32 116.25 123.58 1se9 h VAL 31 Ca -0.48 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.08 1se9 h VAL 31 Cb 1.19 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1se9 h VAL 31 CO 0.65 0.01 0.19 0.28 0.02 0.00 0.00 177.57 178.71 1se9 h SER 32 N 0.00 0.18 1.31 0.57 0.02 -1.68 0.32 113.55 114.28 1se9 h SER 32 Ca -0.00 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1se9 h SER 32 Cb 0.02 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1se9 h SER 32 CO 0.00 0.13 -0.44 0.00 -1.14 0.00 0.00 176.83 175.38 1se9 h ALA 33 N 1.36 0.78 -0.36 3.77 0.00 -1.60 -1.93 119.26 121.27 1se9 h ALA 33 Ca 0.26 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1se9 h ALA 33 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1se9 h ALA 33 CO -0.26 0.55 -0.19 1.25 0.00 0.00 0.00 179.25 180.59 1se9 h LEU 34 N 0.00 0.80 -0.58 0.00 5.85 -0.79 -0.54 115.31 120.06 1se9 h LEU 34 Ca -0.00 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1se9 h LEU 34 Cb 1.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1se9 h LEU 34 CO 0.06 1.04 0.34 0.11 -0.34 0.00 0.00 178.44 179.64 1se9 h LYS 35 N 0.56 0.79 -0.86 1.25 1.79 -0.21 0.31 116.57 120.19 1se9 h LYS 35 Ca 0.08 -0.08 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1se9 h LYS 35 Cb 0.74 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 1se9 h LYS 35 CO 0.06 0.58 0.53 0.93 -1.08 0.00 0.00 179.45 180.47 1se9 h GLU 36 N 0.78 0.93 -0.51 3.15 4.39 -1.07 0.15 114.58 122.40 1se9 h GLU 36 Ca 0.21 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 1se9 h GLU 36 Cb 0.00 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1se9 h GLU 36 CO -0.04 0.62 -0.15 1.15 -1.16 0.00 0.00 179.01 179.43 1se9 h THR 37 N 0.96 1.27 0.27 1.13 2.02 -0.61 -2.04 112.91 115.90 1se9 h THR 37 Ca 0.38 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1se9 h THR 37 Cb 0.19 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1se9 h THR 37 CO -0.18 0.46 -0.16 0.58 0.37 0.00 0.00 175.52 176.58 1se9 h VAL 38 N 0.87 0.66 -0.42 3.16 2.07 0.46 0.16 116.25 123.20 1se9 h VAL 38 Ca 0.13 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1se9 h VAL 38 Cb 0.71 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1se9 h VAL 38 CO 0.05 0.00 0.10 0.40 0.02 0.00 0.00 177.57 178.14 1se9 h ILE 39 N -0.41 1.19 0.01 4.57 2.04 -0.74 -0.11 117.51 124.06 1se9 h ILE 39 Ca -0.03 -0.68 -0.26 0.00 1.00 0.00 0.00 64.86 64.89 1se9 h ILE 39 Cb 0.34 0.76 0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1se9 h ILE 39 CO 0.03 0.25 -1.04 0.28 0.00 0.00 0.00 178.15 177.67 1se9 h SER 40 N 0.62 0.85 1.37 1.72 0.02 -1.14 -3.33 113.55 113.66 1se9 h SER 40 Ca 0.14 -0.68 -0.12 0.00 -0.84 0.00 0.00 61.79 60.28 1se9 h SER 40 Cb 0.24 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1se9 h SER 40 CO -0.00 1.49 -0.63 -0.33 -1.14 0.00 0.00 176.83 176.21 1se9 h GLU 41 N 0.36 0.00 -6.41 3.45 4.39 -0.33 -3.45 114.58 112.59 1se9 h GLU 41 Ca -0.13 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.04 1se9 h GLU 41 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1se9 h GLU 41 CO 0.20 0.56 0.80 -0.46 -1.16 0.00 0.00 179.01 178.94 1se9 s TRP 42 N -2.92 2.96 -0.38 4.33 -0.11 -0.09 -4.86 118.94 117.87 1se9 s TRP 42 Ca 0.03 0.87 -0.41 0.00 1.22 0.00 0.00 56.10 57.81 1se9 s TRP 42 Cb 0.08 -3.65 -0.18 0.00 -1.50 0.00 0.00 33.47 28.22 1se9 s TRP 42 CO 0.76 -2.37 1.37 -2.30 -4.62 0.00 0.00 176.95 169.79 1se9 n PRO 43 N 5.01 0.00 0.26 5.86 -0.02 -1.26 -4.82 135.00 140.03 1se9 n PRO 43 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1se9 n PRO 43 Cb 0.44 -1.34 0.71 0.00 -0.02 0.00 0.00 33.50 33.28 1se9 n PRO 43 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1se9 h ARG 44 N 4.22 0.00 0.00 -0.52 2.43 -1.89 -1.12 114.38 117.51 1se9 h ARG 44 Ca -0.40 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 1se9 h ARG 44 Cb 1.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 1se9 h ARG 44 CO 0.84 0.12 -0.19 1.49 -1.51 0.00 0.00 179.97 180.72 1se9 h GLU 45 N 0.00 0.00 -5.67 0.20 4.81 -2.02 -3.39 114.58 108.51 1se9 h GLU 45 Ca -0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 1se9 h GLU 45 Cb 0.40 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.66 1se9 h GLU 45 CO 0.02 0.19 1.42 0.15 -0.73 0.00 0.00 179.01 180.05 1se9 s LYS 46 N -3.94 3.69 0.39 1.92 1.02 -0.42 -4.97 119.74 117.42 1se9 s LYS 46 Ca -0.01 -1.54 -0.16 0.00 0.02 0.00 0.00 55.97 54.27 1se9 s LYS 46 Cb 0.12 -5.24 -0.09 0.00 -0.52 0.00 0.00 37.83 32.09 1se9 s LYS 46 CO 0.61 -2.06 0.83 -1.21 -0.92 0.00 0.00 175.35 172.60 1se9 s GLU 47 N 3.98 4.04 -2.04 1.68 2.02 -1.26 -3.73 118.70 123.38 1se9 s GLU 47 Ca 0.43 0.82 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1se9 s GLU 47 Cb -0.01 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1se9 s GLU 47 CO -0.06 0.03 0.00 -1.71 0.02 0.00 0.00 175.26 173.53 1se9 n ASN 48 N -0.70 -5.32 -4.96 -0.19 5.15 -1.26 -4.96 115.26 103.02 1se9 n ASN 48 Ca 0.05 0.48 -0.21 0.00 -0.60 0.00 0.00 54.58 54.29 1se9 n ASN 48 Cb 0.54 -4.52 0.02 0.00 -0.53 0.00 0.00 39.78 35.29 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 -2.80 2.02 -1.08 8.20 0.00 -1.24 -4.47 107.32 107.96 1se9 s GLY 49 Ca 0.00 -1.78 -0.23 0.00 0.00 0.00 0.00 44.72 42.71 1se9 s GLY 49 CO 0.00 -1.74 1.87 2.56 0.00 0.00 0.00 173.10 175.79 1se9 s PRO 50 N -4.41 2.80 0.00 2.90 0.04 -1.26 -4.52 135.00 130.55 1se9 s PRO 50 Ca 0.50 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1se9 s PRO 50 Cb -0.05 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1se9 s PRO 50 CO 0.31 -3.38 0.00 1.17 0.04 0.00 0.00 177.00 175.13 1se9 n LYS 51 N 8.57 2.87 -2.68 4.56 4.81 -1.26 -4.77 118.16 130.26 1se9 n LYS 51 Ca 0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.65 1se9 n LYS 51 Cb 0.47 -0.90 0.05 0.00 0.02 0.00 0.00 35.03 34.67 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 -1.76 2.55 0.21 3.15 -4.23 -1.26 -3.93 115.64 110.37 1se9 s THR 52 Ca 0.00 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.73 1se9 s THR 52 Cb 0.00 -2.85 0.16 0.00 1.34 0.00 0.00 72.50 71.14 1se9 s THR 52 CO 0.00 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.40 1se9 h VAL 53 N -0.01 0.75 0.00 2.29 2.07 -1.90 -2.25 116.25 117.20 1se9 h VAL 53 Ca -0.40 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 66.81 1se9 h VAL 53 Cb 1.29 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1se9 h VAL 53 CO 0.48 0.07 -0.83 0.11 0.02 0.00 0.00 177.57 177.42 1se9 h LYS 54 N 0.40 0.00 0.05 1.57 6.56 -2.02 -3.31 116.57 119.82 1se9 h LYS 54 Ca 0.32 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.64 1se9 h LYS 54 Cb 0.41 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.05 1se9 h LYS 54 CO -0.33 0.83 -1.35 0.93 -2.06 0.00 0.00 179.45 177.48 1se9 h GLU 55 N 0.00 0.11 -5.15 3.15 4.39 -1.79 -3.42 114.58 111.87 1se9 h GLU 55 Ca -0.01 -0.19 -0.64 0.00 0.34 0.00 0.00 59.36 58.86 1se9 h GLU 55 Cb 1.51 0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 30.08 1se9 h GLU 55 CO 0.11 0.96 -0.15 0.08 -1.16 0.00 0.00 179.01 178.85 1se9 s VAL 56 N -2.65 5.09 -0.21 3.13 1.01 -0.89 -3.48 120.40 122.41 1se9 s VAL 56 Ca -0.04 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1se9 s VAL 56 Cb 0.08 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1se9 s VAL 56 CO 0.84 -0.08 0.11 -0.54 0.00 0.00 0.00 175.10 175.42 1se9 s LYS 57 N 2.22 4.03 -0.25 2.72 1.02 -0.85 -4.86 119.74 123.77 1se9 s LYS 57 Ca 0.16 -0.30 -0.10 0.00 0.02 0.00 0.00 55.97 55.75 1se9 s LYS 57 Cb -0.16 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1se9 s LYS 57 CO 0.12 0.17 0.15 -1.17 -0.92 0.00 0.00 175.35 173.70 1se9 s LEU 58 N 0.69 3.92 -0.16 3.17 1.98 -1.26 -0.55 118.68 126.47 1se9 s LEU 58 Ca 0.06 -0.00 -0.01 0.00 -2.89 0.00 0.00 54.13 51.29 1se9 s LEU 58 Cb -0.13 -2.06 -0.00 0.00 0.66 0.00 0.00 46.19 44.66 1se9 s LEU 58 CO 0.01 0.01 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.73 1se9 s ILE 59 N 1.38 2.86 -0.16 6.68 -1.09 0.45 -0.29 121.20 131.02 1se9 s ILE 59 Ca 0.07 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1se9 s ILE 59 Cb -0.15 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1se9 s ILE 59 CO 0.07 0.50 -0.13 -0.94 -1.23 0.00 0.00 174.94 173.21 1se9 s SER 60 N 0.88 2.91 -1.10 3.58 1.04 0.33 -0.84 113.70 120.50 1se9 s SER 60 Ca -0.03 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1se9 s SER 60 Cb -0.15 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1se9 s SER 60 CO -0.01 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.13 1se9 n ALA 61 N 4.75 -0.16 -0.11 5.32 0.00 -1.26 -0.99 120.51 128.06 1se9 n ALA 61 Ca -0.16 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1se9 n ALA 61 Cb 0.49 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.48 0.59 3.68 0.00 0.00 -1.26 -5.07 105.19 102.65 1se9 n GLY 62 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1se9 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1se9 s LYS 63 N -0.89 3.19 -0.04 1.61 3.01 -0.16 -5.05 119.74 121.42 1se9 s LYS 63 Ca 0.00 -0.38 -0.30 0.00 -1.01 0.00 0.00 55.97 54.28 1se9 s LYS 63 Cb 0.00 -2.89 -0.03 0.00 -1.01 0.00 0.00 37.83 33.90 1se9 s LYS 63 CO 0.00 0.63 1.10 0.08 0.51 0.00 0.00 175.35 177.67 1se9 s VAL 64 N -0.66 4.50 -0.42 3.17 1.01 -1.26 -0.51 120.40 126.23 1se9 s VAL 64 Ca 0.11 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 1se9 s VAL 64 Cb -0.12 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1se9 s VAL 64 CO 0.02 0.05 1.29 -0.76 0.00 0.00 0.00 175.10 175.71 1se9 s LEU 65 N 1.70 3.65 0.12 3.92 1.43 0.60 -4.95 118.68 125.15 1se9 s LEU 65 Ca 0.53 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1se9 s LEU 65 Cb -0.23 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1se9 s LEU 65 CO 0.23 -1.31 1.11 -1.61 0.23 0.00 0.00 176.35 175.00 1se9 s GLU 66 N 4.63 4.55 0.42 1.70 2.02 -1.26 -4.70 118.70 126.06 1se9 s GLU 66 Ca 0.56 1.69 0.18 0.00 0.02 0.00 0.00 54.97 57.41 1se9 s GLU 66 Cb -0.12 -3.32 1.09 0.00 0.10 0.00 0.00 34.13 31.88 1se9 s GLU 66 CO 0.30 -0.03 1.85 -0.97 0.02 0.00 0.00 175.26 176.44 1se9 h ASN 67 N 5.78 0.41 -0.25 -0.19 -1.24 -1.93 -2.09 115.58 116.06 1se9 h ASN 67 Ca -0.43 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.62 1se9 h ASN 67 Cb 1.21 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1se9 h ASN 67 CO 0.75 0.16 0.00 -1.20 -1.29 0.00 0.00 177.43 175.85 1se9 n SER 68 N -4.52 1.98 -4.57 1.15 7.64 -1.26 -2.25 113.62 111.80 1se9 n SER 68 Ca 0.20 -1.82 -0.27 0.00 1.01 0.00 0.00 58.87 57.99 1se9 n SER 68 Cb 0.71 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.64 1se9 n SER 68 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1se9 s LYS 69 N -1.67 1.86 0.37 1.43 -2.85 -0.79 -4.97 119.74 113.11 1se9 s LYS 69 Ca 0.31 -1.99 0.07 0.00 -1.00 0.00 0.00 55.97 53.36 1se9 s LYS 69 Cb 0.17 -1.68 -0.00 0.00 -2.06 0.00 0.00 37.83 34.26 1se9 s LYS 69 CO 0.25 0.08 0.51 0.95 0.10 0.00 0.00 175.35 177.24 1se9 s THR 70 N -2.65 3.74 0.35 3.79 -4.23 -1.26 -1.00 115.64 114.38 1se9 s THR 70 Ca 0.33 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 59.93 1se9 s THR 70 Cb 0.05 -3.29 0.15 0.00 1.34 0.00 0.00 72.50 70.75 1se9 s THR 70 CO 0.17 -0.11 1.88 0.58 -0.54 0.00 0.00 174.62 176.59 1se9 h VAL 71 N 0.79 1.20 -0.53 2.29 2.07 -0.85 -2.35 116.25 118.87 1se9 h VAL 71 Ca -0.44 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.35 1se9 h VAL 71 Cb 1.26 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1se9 h VAL 71 CO 0.51 0.27 0.36 0.50 0.02 0.00 0.00 177.57 179.22 1se9 h LYS 72 N 0.39 0.32 -0.70 1.57 3.11 -0.72 0.49 116.57 121.03 1se9 h LYS 72 Ca 0.08 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1se9 h LYS 72 Cb 0.38 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 1se9 h LYS 72 CO 0.02 0.21 0.33 0.22 -2.81 0.00 0.00 179.45 177.42 1se9 h ASP 73 N 0.33 0.90 0.78 4.20 1.82 -1.71 -2.57 116.42 120.16 1se9 h ASP 73 Ca 0.24 -0.10 -0.20 0.00 -0.39 0.00 0.00 57.03 56.58 1se9 h ASP 73 Cb 0.52 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 1se9 h ASP 73 CO -0.06 0.77 -1.33 1.88 -1.61 0.00 0.00 179.24 178.89 1se9 h TYR 74 N 0.99 0.00 -2.61 0.28 0.05 -1.44 -3.44 116.97 110.80 1se9 h TYR 74 Ca 0.24 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.48 1se9 h TYR 74 Cb 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 1se9 h TYR 74 CO 0.01 0.73 1.11 0.50 -1.05 0.00 0.00 178.16 179.46 1se9 s ARG 75 N -2.81 3.20 -0.03 4.88 6.06 0.07 -4.98 118.95 125.34 1se9 s ARG 75 Ca -0.02 0.24 -0.03 0.00 -2.50 0.00 0.00 55.73 53.42 1se9 s ARG 75 Cb 0.08 -4.16 -0.04 0.00 0.06 0.00 0.00 34.95 30.89 1se9 s ARG 75 CO 0.81 -2.08 0.16 -1.12 -2.50 0.00 0.00 175.30 170.57 1se9 s SER 76 N 4.55 6.29 -0.37 -2.12 0.01 -1.26 -4.83 113.70 115.97 1se9 s SER 76 Ca 0.48 0.35 -0.29 0.00 1.31 0.00 0.00 55.95 57.80 1se9 s SER 76 Cb -0.10 -1.97 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1se9 s SER 76 CO 0.21 0.29 1.34 -2.84 0.41 0.00 0.00 173.24 172.66 1se9 s PRO 77 N -1.74 3.73 0.00 12.44 0.02 -1.26 -4.72 135.00 143.47 1se9 s PRO 77 Ca 0.24 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.29 1se9 s PRO 77 Cb -0.12 -3.95 0.00 0.00 0.02 0.00 0.00 34.50 30.44 1se9 s PRO 77 CO 0.15 -1.37 0.00 1.55 -0.33 0.00 0.00 177.00 177.01 1se9 n VAL 78 N 6.70 0.00 -3.21 3.83 3.14 -1.26 -4.98 118.33 122.54 1se9 n VAL 78 Ca 0.15 -0.13 0.04 0.00 -2.96 0.00 0.00 64.34 61.44 1se9 n VAL 78 Cb 0.47 0.59 -0.01 0.00 -1.06 0.00 0.00 33.84 33.83 1se9 n VAL 78 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1se9 s SER 79 N -1.20 -1.27 -0.90 6.55 1.04 -1.26 -5.10 113.70 111.56 1se9 s SER 79 Ca 0.00 0.91 -0.25 0.00 0.48 0.00 0.00 55.95 57.09 1se9 s SER 79 Cb 0.00 2.11 0.03 0.00 0.10 0.00 0.00 66.02 68.26 1se9 s SER 79 CO 0.00 -0.24 1.48 0.20 0.98 0.00 0.00 173.24 175.66 1se9 s ASN 80 N 2.87 6.17 0.62 7.02 0.01 -1.26 -4.94 114.94 125.42 1se9 s ASN 80 Ca 0.16 -0.95 0.06 0.00 -0.71 0.00 0.00 52.86 51.41 1se9 s ASN 80 Cb -0.14 -2.56 0.10 0.00 0.41 0.00 0.00 41.25 39.06 1se9 s ASN 80 CO -0.20 -1.80 0.86 -0.76 -1.51 0.00 0.00 177.10 173.69 1se9 s LEU 81 N 6.05 3.07 -0.31 0.60 1.43 -1.26 -5.10 118.68 123.16 1se9 s LEU 81 Ca 0.47 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1se9 s LEU 81 Cb -0.04 -1.79 0.12 0.00 0.03 0.00 0.00 46.19 44.51 1se9 s LEU 81 CO 0.00 -1.52 0.16 0.00 0.23 0.00 0.00 176.35 175.23 1se9 s ALA 82 N -2.84 0.68 0.00 4.21 0.00 -1.26 -4.93 121.76 117.63 1se9 s ALA 82 Ca 0.63 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1se9 s ALA 82 Cb -0.06 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1se9 s ALA 82 CO 0.41 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1se9 n GLY 83 N 4.82 -0.42 3.93 0.00 0.00 -1.17 -4.70 105.19 107.65 1se9 n GLY 83 Ca 0.01 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.81 3.87 -0.19 4.61 0.00 -1.22 -4.70 121.76 122.32 1se9 s ALA 84 Ca 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1se9 s ALA 84 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1se9 s ALA 84 CO 0.00 0.52 0.09 0.08 0.00 0.00 0.00 175.76 176.45 1se9 s VAL 85 N -1.79 5.05 -0.10 0.00 1.01 -1.26 -0.61 120.40 122.71 1se9 s VAL 85 Ca 0.38 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1se9 s VAL 85 Cb -0.11 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1se9 s VAL 85 CO 0.28 0.46 -0.19 -0.89 0.00 0.00 0.00 175.10 174.76 1se9 s THR 86 N 0.33 1.71 -0.29 3.92 2.01 0.20 -4.90 115.64 118.62 1se9 s THR 86 Ca 0.05 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.12 1se9 s THR 86 Cb -0.12 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1se9 s THR 86 CO -0.01 0.48 0.34 -0.89 -0.69 0.00 0.00 174.62 173.85 1se9 s THR 87 N 0.67 5.19 -0.15 -0.82 2.01 -1.26 -1.59 115.64 119.69 1se9 s THR 87 Ca -0.13 0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.16 1se9 s THR 87 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1se9 s THR 87 CO 0.03 0.10 0.13 -0.04 -0.69 0.00 0.00 174.62 174.16 1se9 s MET 88 N 2.01 3.67 -0.22 4.92 -1.94 -0.25 -4.87 119.30 122.62 1se9 s MET 88 Ca 0.13 -0.17 -0.17 0.00 -1.71 0.00 0.00 55.69 53.77 1se9 s MET 88 Cb -0.16 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 1se9 s MET 88 CO 0.11 0.62 0.44 -1.01 -0.01 0.00 0.00 175.02 175.17 1se9 s HIS 89 N -0.57 3.35 -0.24 -0.03 3.76 -0.02 -0.24 115.29 121.30 1se9 s HIS 89 Ca 0.13 0.64 -0.14 0.00 -0.15 0.00 0.00 55.06 55.53 1se9 s HIS 89 Cb -0.12 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 1se9 s HIS 89 CO 0.02 -0.09 0.31 0.08 -0.85 0.00 0.00 174.74 174.21 1se9 s VAL 90 N 1.60 5.24 -0.29 -0.90 1.01 0.01 -0.41 120.40 126.66 1se9 s VAL 90 Ca 0.20 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 1se9 s VAL 90 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1se9 s VAL 90 CO 0.09 0.24 0.24 -0.63 0.00 0.00 0.00 175.10 175.04 1se9 s ILE 91 N 1.56 5.27 -0.42 2.22 -1.09 0.29 -3.78 121.20 125.25 1se9 s ILE 91 Ca 0.14 0.19 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 1se9 s ILE 91 Cb -0.15 -3.61 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1se9 s ILE 91 CO 0.08 0.18 0.31 -0.63 -1.23 0.00 0.00 174.94 173.65 1se9 s ILE 92 N 1.83 5.25 -0.31 2.92 1.09 -1.26 -2.01 121.20 128.71 1se9 s ILE 92 Ca 0.09 -0.73 -0.07 0.00 -1.10 0.00 0.00 60.65 58.84 1se9 s ILE 92 Cb -0.16 -3.96 0.02 0.00 -1.06 0.00 0.00 42.46 37.30 1se9 s ILE 92 CO 0.11 -0.35 0.10 -1.10 -0.10 0.00 0.00 174.94 173.59 1se9 s GLN 93 N 1.67 2.95 -0.04 2.79 -0.21 -1.23 -5.05 119.66 120.54 1se9 s GLN 93 Ca 0.05 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 54.17 1se9 s GLN 93 Cb -0.20 -3.42 -0.07 0.00 1.00 0.00 0.00 33.01 30.32 1se9 s GLN 93 CO 0.09 -0.52 1.88 0.00 -2.12 0.00 0.00 175.29 174.62 1se9 s ALA 94 N 1.48 3.47 0.50 6.09 0.00 -1.26 -4.81 121.76 127.23 1se9 s ALA 94 Ca 0.01 1.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 1se9 s ALA 94 Cb -0.18 -3.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 1se9 s ALA 94 CO 0.03 -1.69 1.28 -2.14 0.00 0.00 0.00 175.76 173.24 1se9 s PRO 95 N 4.57 3.46 -0.24 0.00 0.02 -1.26 -5.00 135.00 136.55 1se9 s PRO 95 Ca 0.84 2.05 -0.09 0.00 0.02 0.00 0.00 61.00 63.83 1se9 s PRO 95 Cb -0.38 -2.36 -0.04 0.00 0.02 0.00 0.00 34.50 31.74 1se9 s PRO 95 CO 0.37 -0.88 0.11 0.54 -0.33 0.00 0.00 177.00 176.81 1se9 s VAL 96 N -1.39 4.82 -0.25 3.83 0.11 -1.26 -4.91 120.40 121.33 1se9 s VAL 96 Ca 0.67 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.62 1se9 s VAL 96 Cb -0.36 -3.24 0.10 0.00 -1.53 0.00 0.00 36.38 31.36 1se9 s VAL 96 CO 0.43 0.35 0.56 -0.89 -3.33 0.00 0.00 175.10 172.21 1se9 s THR 97 N 1.27 -0.66 -0.42 5.04 2.01 -1.26 -5.13 115.64 116.49 1se9 s THR 97 Ca 0.06 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.99 1se9 s THR 97 Cb -0.14 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.56 1se9 s THR 97 CO 0.05 0.03 0.29 -0.70 -0.69 0.00 0.00 174.62 173.60 1se9 s GLU 98 N 2.50 2.84 -0.21 4.92 2.12 -1.26 -5.01 118.70 124.61 1se9 s GLU 98 Ca -0.05 -1.25 -0.20 0.00 0.36 0.00 0.00 54.97 53.83 1se9 s GLU 98 Cb -0.11 -3.91 0.06 0.00 0.26 0.00 0.00 34.13 30.43 1se9 s GLU 98 CO -0.17 -0.87 0.57 -1.59 -0.54 0.00 0.00 175.26 172.66 1se9 s LYS 99 N 1.57 0.68 -0.43 4.30 -2.85 -1.26 -5.12 119.74 116.63 1se9 s LYS 99 Ca 0.03 0.76 0.05 0.00 -1.00 0.00 0.00 55.97 55.81 1se9 s LYS 99 Cb -0.22 0.33 0.17 0.00 -2.06 0.00 0.00 37.83 36.05 1se9 s LYS 99 CO 0.06 -0.09 0.51 -1.83 0.10 0.00 0.00 175.35 174.10 1se9 s GLU 100 N 0.23 0.85 0.00 1.78 -1.05 -1.26 -5.21 118.70 114.04 1se9 s GLU 100 Ca -0.01 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 1se9 s GLU 100 Cb -0.04 -0.56 0.00 0.00 -0.44 0.00 0.00 34.13 33.09 1se9 s GLU 100 CO 0.01 -1.28 0.00 1.17 0.95 0.00 0.00 175.26 176.11