#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se9 s ALA 2 N 0.00 -2.70 0.25 -1.84 0.00 -0.83 -5.00 121.76 111.64 1se9 s ALA 2 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 1se9 s ALA 2 Cb 0.00 -2.71 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 1se9 s ALA 2 CO 0.00 -2.12 1.08 -1.21 0.00 0.00 0.00 175.76 173.51 1se9 s GLU 3 N 2.23 4.65 -0.12 0.00 8.01 -1.26 -3.51 118.70 128.70 1se9 s GLU 3 Ca 0.15 1.75 0.09 0.00 0.01 0.00 0.00 54.97 56.97 1se9 s GLU 3 Cb -0.05 -3.22 -0.14 0.00 -4.31 0.00 0.00 34.13 26.41 1se9 s GLU 3 CO -0.15 0.21 0.01 0.28 0.01 0.00 0.00 175.26 175.63 1se9 n VAL 4 N 1.54 0.84 -0.76 2.63 0.31 -1.26 -4.99 118.33 116.63 1se9 n VAL 4 Ca -0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1se9 n VAL 4 Cb 0.45 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1se9 n VAL 4 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1se9 n HIS 5 N -2.53 0.00 -0.10 3.52 8.25 -1.26 -4.70 115.22 118.41 1se9 n HIS 5 Ca -0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.09 1se9 n HIS 5 Cb 0.88 -1.26 -0.13 0.00 1.12 0.00 0.00 29.99 30.60 1se9 n HIS 5 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1se9 n ASN 6 N -0.27 1.50 -2.23 0.41 3.02 -1.26 -3.34 115.26 113.09 1se9 n ASN 6 Ca 0.00 -0.02 -0.02 0.00 -0.03 0.00 0.00 54.58 54.51 1se9 n ASN 6 Cb 0.14 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1se9 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1se9 n GLN 7 N -3.17 0.71 -3.96 3.52 3.00 -1.26 -4.64 117.38 111.58 1se9 n GLN 7 Ca -0.39 -0.24 -0.35 0.00 -0.01 0.00 0.00 57.00 56.00 1se9 n GLN 7 Cb 1.04 -0.04 -0.09 0.00 0.00 0.00 0.00 30.24 31.15 1se9 n GLN 7 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1se9 s LEU 8 N 0.00 3.96 0.07 1.08 2.34 -1.05 -3.80 118.68 121.28 1se9 s LEU 8 Ca 0.05 0.18 -0.18 0.00 0.06 0.00 0.00 54.13 54.24 1se9 s LEU 8 Cb -0.00 -1.99 -0.07 0.00 -0.56 0.00 0.00 46.19 43.57 1se9 s LEU 8 CO 0.04 0.23 0.54 -1.61 -1.06 0.00 0.00 176.35 174.49 1se9 s GLU 9 N 0.03 4.13 -0.02 1.48 8.01 -1.11 0.03 118.70 131.26 1se9 s GLU 9 Ca 0.07 0.66 0.04 0.00 0.01 0.00 0.00 54.97 55.75 1se9 s GLU 9 Cb -0.12 -3.20 -0.01 0.00 -4.31 0.00 0.00 34.13 26.49 1se9 s GLU 9 CO 0.00 0.63 -0.15 0.42 0.01 0.00 0.00 175.26 176.17 1se9 s ILE 10 N -1.15 1.22 0.14 -1.63 1.01 0.65 0.46 121.20 121.91 1se9 s ILE 10 Ca 0.29 -0.64 0.11 0.00 0.00 0.00 0.00 60.65 60.40 1se9 s ILE 10 Cb -0.19 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1se9 s ILE 10 CO 0.18 0.35 -0.24 -1.59 0.00 0.00 0.00 174.94 173.64 1se9 s LYS 11 N -0.24 1.52 -0.27 2.79 -2.85 -0.11 -1.36 119.74 119.22 1se9 s LYS 11 Ca 0.03 -1.35 -0.07 0.00 -1.00 0.00 0.00 55.97 53.58 1se9 s LYS 11 Cb -0.07 -1.94 -0.01 0.00 -2.06 0.00 0.00 37.83 33.75 1se9 s LYS 11 CO -0.00 0.44 0.08 -0.06 0.10 0.00 0.00 175.35 175.91 1se9 s PHE 12 N -1.23 3.11 -0.16 1.78 0.08 -1.23 -1.31 117.98 119.02 1se9 s PHE 12 Ca 0.17 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 1se9 s PHE 12 Cb -0.10 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1se9 s PHE 12 CO 0.08 -0.45 -0.11 0.50 -0.10 0.00 0.00 175.22 175.14 1se9 s ARG 13 N 1.57 3.34 0.85 0.44 3.52 0.04 -0.43 118.95 128.29 1se9 s ARG 13 Ca 0.05 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 54.85 1se9 s ARG 13 Cb -0.16 -2.74 0.10 0.00 -1.56 0.00 0.00 34.95 30.59 1se9 s ARG 13 CO 0.03 0.04 1.14 -0.51 -0.81 0.00 0.00 175.30 175.19 1se9 s LEU 14 N 0.80 2.31 0.20 -0.88 1.43 0.29 -0.39 118.68 122.44 1se9 s LEU 14 Ca -0.04 0.98 0.23 0.00 -1.03 0.00 0.00 54.13 54.27 1se9 s LEU 14 Cb -0.15 -3.44 0.91 0.00 0.03 0.00 0.00 46.19 43.54 1se9 s LEU 14 CO 0.01 -2.18 1.70 1.07 0.23 0.00 0.00 176.35 177.17 1se9 n THR 15 N -3.53 0.77 1.05 5.49 5.66 -1.19 -2.20 114.28 120.33 1se9 n THR 15 Ca 0.07 0.12 0.13 0.00 -3.05 0.00 0.00 64.05 61.33 1se9 n THR 15 Cb 0.59 -1.00 0.61 0.00 -1.55 0.00 0.00 70.33 68.99 1se9 n THR 15 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1se9 n ASP 16 N -2.09 0.00 0.00 1.09 2.03 -1.26 -4.88 116.55 111.44 1se9 n ASP 16 Ca 0.03 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1se9 n ASP 16 Cb 0.26 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1se9 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1se9 n GLY 17 N 1.18 0.80 3.73 0.27 0.00 -0.93 -5.02 105.19 105.21 1se9 n GLY 17 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1se9 n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1se9 s SER 18 N -2.70 6.23 0.31 1.61 0.01 -1.26 -4.89 113.70 113.01 1se9 s SER 18 Ca 0.00 0.25 0.10 0.00 1.31 0.00 0.00 55.95 57.62 1se9 s SER 18 Cb 0.00 -2.10 -0.06 0.00 0.21 0.00 0.00 66.02 64.08 1se9 s SER 18 CO 0.00 0.18 -0.13 1.51 0.41 0.00 0.00 173.24 175.21 1se9 s ASP 19 N 0.35 3.74 -0.07 2.44 -4.77 -1.26 -0.55 116.67 116.55 1se9 s ASP 19 Ca 0.09 -1.09 -0.02 0.00 -3.30 0.00 0.00 52.55 48.23 1se9 s ASP 19 Cb -0.11 -0.36 -0.03 0.00 -1.09 0.00 0.00 42.92 41.32 1se9 s ASP 19 CO -0.02 -0.10 0.03 -0.63 0.70 0.00 0.00 175.17 175.15 1se9 s ILE 20 N -2.55 4.46 0.26 2.11 1.01 0.43 -4.97 121.20 121.95 1se9 s ILE 20 Ca 0.32 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1se9 s ILE 20 Cb -0.01 -2.92 -0.14 0.00 0.01 0.00 0.00 42.46 39.40 1se9 s ILE 20 CO 0.16 0.55 1.07 0.61 0.00 0.00 0.00 174.94 177.33 1se9 n GLY 21 N 1.91 -0.12 3.77 6.18 0.00 -1.26 -3.53 105.19 112.13 1se9 n GLY 21 Ca -0.18 0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.22 3.72 0.19 1.61 0.04 -1.26 -4.57 135.00 133.50 1se9 s PRO 22 Ca 0.62 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.59 1se9 s PRO 22 Cb -0.73 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1se9 s PRO 22 CO 0.58 -0.62 -0.04 0.15 0.04 0.00 0.00 177.00 177.11 1se9 s LYS 23 N -2.64 1.21 -0.20 4.56 1.02 -0.47 -1.97 119.74 121.25 1se9 s LYS 23 Ca 0.63 -1.57 -0.16 0.00 0.02 0.00 0.00 55.97 54.89 1se9 s LYS 23 Cb -0.31 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1se9 s LYS 23 CO 0.38 -0.03 0.42 0.00 -0.92 0.00 0.00 175.35 175.21 1se9 s ALA 24 N -3.40 3.55 -0.16 5.17 0.00 -1.23 -0.26 121.76 125.44 1se9 s ALA 24 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1se9 s ALA 24 Cb 0.04 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1se9 s ALA 24 CO 0.05 -0.33 -0.10 -0.06 0.00 0.00 0.00 175.76 175.32 1se9 s PHE 25 N 1.38 1.95 0.59 0.00 0.40 0.11 -4.97 117.98 117.44 1se9 s PHE 25 Ca 0.20 -1.16 -0.20 0.00 -0.60 0.00 0.00 56.93 55.17 1se9 s PHE 25 Cb -0.15 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1se9 s PHE 25 CO 0.08 -0.64 1.28 -2.14 0.70 0.00 0.00 175.22 174.51 1se9 s PRO 26 N 1.55 2.93 0.52 0.24 0.02 -1.26 -2.55 135.00 136.46 1se9 s PRO 26 Ca 0.03 2.04 0.21 0.00 0.02 0.00 0.00 61.00 63.30 1se9 s PRO 26 Cb -0.14 -2.04 1.37 0.00 0.02 0.00 0.00 34.50 33.71 1se9 s PRO 26 CO -0.09 -1.29 2.11 0.38 -0.33 0.00 0.00 177.00 177.78 1se9 h ASP 27 N 1.03 0.00 0.13 2.53 2.03 -1.94 -1.11 116.42 119.09 1se9 h ASP 27 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1se9 h ASP 27 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1se9 h ASP 27 CO 0.55 0.08 -0.01 0.00 -1.03 0.00 0.00 179.24 178.83 1se9 n ALA 28 N -2.42 2.65 -1.78 4.15 0.00 -1.26 0.04 120.51 121.89 1se9 n ALA 28 Ca -0.03 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 1se9 n ALA 28 Cb 0.17 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.15 4.06 0.54 0.00 2.01 -0.42 -4.81 115.64 114.87 1se9 s THR 29 Ca 0.41 1.71 -0.19 0.00 0.31 0.00 0.00 61.69 63.93 1se9 s THR 29 Cb 0.21 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 1se9 s THR 29 CO 0.39 0.14 1.08 0.42 -0.69 0.00 0.00 174.62 175.96 1se9 s THR 30 N -1.59 3.51 0.29 -0.82 -4.23 -1.26 -0.20 115.64 111.35 1se9 s THR 30 Ca 0.51 0.88 0.19 0.00 -1.18 0.00 0.00 61.69 62.09 1se9 s THR 30 Cb -0.20 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.45 1se9 s THR 30 CO 0.26 -0.26 1.84 0.58 -0.54 0.00 0.00 174.62 176.50 1se9 h VAL 31 N 1.10 0.93 -0.09 2.29 2.07 -0.40 -1.57 116.25 120.58 1se9 h VAL 31 Ca -0.49 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1se9 h VAL 31 Cb 1.24 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1se9 h VAL 31 CO 0.57 0.31 0.06 0.77 0.02 0.00 0.00 177.57 179.30 1se9 h SER 32 N 0.00 0.11 0.14 0.57 4.64 -1.51 0.21 113.55 117.71 1se9 h SER 32 Ca -0.00 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 1se9 h SER 32 Cb 0.69 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1se9 h SER 32 CO 0.04 0.09 -0.22 0.00 -0.87 0.00 0.00 176.83 175.87 1se9 h ALA 33 N 1.03 1.47 -0.18 5.18 0.00 -1.77 0.16 119.26 125.15 1se9 h ALA 33 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1se9 h ALA 33 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1se9 h ALA 33 CO -0.01 0.38 0.06 1.25 0.00 0.00 0.00 179.25 180.93 1se9 h LEU 34 N 0.14 0.26 -0.33 0.00 5.85 -0.74 -0.17 115.31 120.32 1se9 h LEU 34 Ca 0.02 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1se9 h LEU 34 Cb 0.47 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1se9 h LEU 34 CO 0.03 0.39 -0.26 0.50 -0.34 0.00 0.00 178.44 178.76 1se9 h LYS 35 N 0.12 0.76 -0.48 1.25 3.64 -0.05 -2.55 116.57 119.26 1se9 h LYS 35 Ca 0.06 -0.38 0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1se9 h LYS 35 Cb 0.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1se9 h LYS 35 CO -0.00 1.00 0.33 0.93 -2.27 0.00 0.00 179.45 179.44 1se9 h GLU 36 N 0.53 0.18 -0.37 1.90 4.39 -0.60 0.70 114.58 121.31 1se9 h GLU 36 Ca 0.06 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1se9 h GLU 36 Cb 0.83 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1se9 h GLU 36 CO 0.07 0.12 0.04 1.15 -1.16 0.00 0.00 179.01 179.23 1se9 h THR 37 N 0.19 1.25 -0.34 1.13 2.02 -0.61 -1.18 112.91 115.36 1se9 h THR 37 Ca 0.22 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.53 1se9 h THR 37 Cb 0.64 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1se9 h THR 37 CO -0.04 0.30 0.15 0.58 0.37 0.00 0.00 175.52 176.89 1se9 h VAL 38 N 0.45 0.95 -0.99 3.16 2.07 -0.64 0.13 116.25 121.38 1se9 h VAL 38 Ca 0.11 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1se9 h VAL 38 Cb 0.40 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1se9 h VAL 38 CO 0.01 0.06 0.65 0.40 0.02 0.00 0.00 177.57 178.71 1se9 h ILE 39 N 0.32 1.14 -0.02 4.57 2.04 -1.13 -0.22 117.51 124.20 1se9 h ILE 39 Ca 0.15 -0.42 -0.22 0.00 1.00 0.00 0.00 64.86 65.37 1se9 h ILE 39 Cb 0.08 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 1se9 h ILE 39 CO -0.12 0.22 -0.90 0.28 0.00 0.00 0.00 178.15 177.63 1se9 h SER 40 N 1.22 0.53 1.24 1.72 0.02 -0.37 -3.15 113.55 114.77 1se9 h SER 40 Ca 0.41 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1se9 h SER 40 Cb 0.08 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1se9 h SER 40 CO -0.14 1.20 0.00 -0.62 -1.14 0.00 0.00 176.83 176.13 1se9 n GLU 41 N -3.77 0.14 -2.31 3.45 -0.58 0.39 -4.78 120.64 113.19 1se9 n GLU 41 Ca -0.06 0.12 -0.41 0.00 -0.42 0.00 0.00 57.16 56.39 1se9 n GLU 41 Cb 0.81 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.98 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 -3.06 3.36 -0.21 -0.32 -0.11 -0.15 -4.90 118.94 113.54 1se9 s TRP 42 Ca 0.12 1.28 -0.38 0.00 1.22 0.00 0.00 56.10 58.34 1se9 s TRP 42 Cb 0.15 -3.51 -0.14 0.00 -1.50 0.00 0.00 33.47 28.47 1se9 s TRP 42 CO 0.56 -1.57 1.79 -2.30 -4.62 0.00 0.00 176.95 170.81 1se9 n PRO 43 N 3.01 1.50 -0.26 5.86 -0.02 -1.26 -4.86 135.00 138.98 1se9 n PRO 43 Ca 0.07 0.55 -0.06 0.00 -2.02 0.00 0.00 63.50 62.04 1se9 n PRO 43 Cb 0.44 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 7.89 1.05 0.00 -0.52 2.43 -1.90 -2.42 114.38 120.90 1se9 h ARG 44 Ca -0.47 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.50 1se9 h ARG 44 Cb 1.30 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1se9 h ARG 44 CO 0.96 0.85 -0.14 1.49 -1.51 0.00 0.00 179.97 181.61 1se9 h GLU 45 N 1.00 0.00 -7.20 0.20 4.81 -2.03 -3.45 114.58 107.93 1se9 h GLU 45 Ca 0.24 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 59.00 1se9 h GLU 45 Cb 0.17 0.00 0.21 0.00 0.63 0.00 0.00 28.75 29.76 1se9 h GLU 45 CO -0.02 0.14 0.10 0.15 -0.73 0.00 0.00 179.01 178.64 1se9 s LYS 46 N -4.24 -0.12 0.99 1.92 -0.14 -0.91 -4.95 119.74 112.29 1se9 s LYS 46 Ca -0.03 1.17 -0.15 0.00 -1.36 0.00 0.00 55.97 55.60 1se9 s LYS 46 Cb 0.13 -1.62 0.03 0.00 -1.68 0.00 0.00 37.83 34.69 1se9 s LYS 46 CO 0.61 -3.28 0.14 0.39 -0.76 0.00 0.00 175.35 172.44 1se9 n GLU 47 N -4.65 -0.54 -1.93 1.68 1.02 -1.26 -4.80 120.64 110.17 1se9 n GLU 47 Ca 0.07 -0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1se9 n GLU 47 Cb 0.53 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1se9 n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1se9 n ASN 48 N -0.77 4.21 0.00 1.62 3.02 -1.13 -4.64 115.26 117.56 1se9 n ASN 48 Ca 0.04 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.69 1se9 n ASN 48 Cb 0.56 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1se9 n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1se9 n GLY 49 N 3.92 1.90 2.30 7.41 0.00 -1.26 -4.96 105.19 114.50 1se9 n GLY 49 Ca 0.49 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 1se9 n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1se9 n PRO 50 N 0.00 1.40 -0.03 1.61 -0.02 -1.26 -4.34 135.00 132.35 1se9 n PRO 50 Ca 0.00 -0.80 -0.03 0.00 -2.02 0.00 0.00 63.50 60.65 1se9 n PRO 50 Cb 0.00 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.06 0.20 -1.73 -0.52 5.02 -1.26 -4.81 118.16 118.12 1se9 n LYS 51 Ca 0.30 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.48 1se9 n LYS 51 Cb 0.44 -0.97 0.12 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.68 1.99 0.30 -0.18 -4.23 -1.26 -4.35 115.64 106.23 1se9 s THR 52 Ca -0.10 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 1se9 s THR 52 Cb 0.01 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.27 1se9 s THR 52 CO 0.14 0.00 1.70 1.62 -0.54 0.00 0.00 174.62 177.54 1se9 h VAL 53 N -1.30 0.46 0.00 2.29 3.04 -1.95 0.79 116.25 119.59 1se9 h VAL 53 Ca -0.48 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1se9 h VAL 53 Cb 1.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1se9 h VAL 53 CO 0.62 0.08 0.00 0.11 -1.01 0.00 0.00 177.57 177.37 1se9 h LYS 54 N 0.42 0.00 -0.00 4.17 1.79 -1.99 -3.20 116.57 117.76 1se9 h LYS 54 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1se9 h LYS 54 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1se9 h LYS 54 CO -0.53 0.00 -0.75 0.39 -1.08 0.00 0.00 179.45 177.48 1se9 n GLU 55 N -2.58 0.06 -4.15 3.15 -0.58 0.26 -4.86 120.64 111.93 1se9 n GLU 55 Ca 0.04 -0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1se9 n GLU 55 Cb 0.42 -1.50 -0.17 0.00 -0.57 0.00 0.00 31.44 29.63 1se9 n GLU 55 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1se9 s VAL 56 N -2.97 0.68 -0.07 2.62 0.11 -1.14 -1.91 120.40 117.72 1se9 s VAL 56 Ca 0.10 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1se9 s VAL 56 Cb 0.17 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1se9 s VAL 56 CO 0.78 0.27 -0.09 -0.54 -3.33 0.00 0.00 175.10 172.19 1se9 s LYS 57 N 1.12 2.76 -0.20 1.54 1.02 0.06 -4.84 119.74 121.20 1se9 s LYS 57 Ca -0.07 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.30 1se9 s LYS 57 Cb -0.14 -2.56 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1se9 s LYS 57 CO -0.01 0.62 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.80 1se9 s LEU 58 N -0.70 2.84 -0.06 3.17 1.98 -1.26 -0.53 118.68 124.12 1se9 s LEU 58 Ca 0.11 -0.38 0.04 0.00 -2.89 0.00 0.00 54.13 51.01 1se9 s LEU 58 Cb -0.11 -1.70 -0.00 0.00 0.66 0.00 0.00 46.19 45.03 1se9 s LEU 58 CO 0.01 0.02 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.67 1se9 s ILE 59 N 1.22 1.62 -0.06 6.68 1.01 -0.07 -0.89 121.20 130.72 1se9 s ILE 59 Ca 0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 1se9 s ILE 59 Cb -0.14 -1.39 0.04 0.00 0.01 0.00 0.00 42.46 40.97 1se9 s ILE 59 CO -0.02 0.46 0.13 -0.55 0.00 0.00 0.00 174.94 174.96 1se9 s SER 60 N 0.12 -0.09 -1.19 3.58 0.15 -0.32 -0.81 113.70 115.13 1se9 s SER 60 Ca -0.07 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1se9 s SER 60 Cb -0.13 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1se9 s SER 60 CO 0.04 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.34 1se9 n ALA 61 N 4.11 -0.17 -0.71 5.45 0.00 -1.26 -1.36 120.51 126.57 1se9 n ALA 61 Ca -0.26 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1se9 n ALA 61 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.03 0.62 3.37 0.00 0.00 -1.26 -5.05 105.19 101.84 1se9 n GLY 62 Ca -0.11 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.61 2.38 -0.22 1.61 3.01 -0.47 -5.09 119.74 120.35 1se9 s LYS 63 Ca 0.00 -0.83 -0.24 0.00 -1.01 0.00 0.00 55.97 53.89 1se9 s LYS 63 Cb 0.00 -2.21 -0.01 0.00 -1.01 0.00 0.00 37.83 34.60 1se9 s LYS 63 CO 0.00 0.54 0.81 0.08 0.51 0.00 0.00 175.35 177.29 1se9 s VAL 64 N -0.54 4.86 -0.17 3.17 1.01 -1.26 -1.17 120.40 126.29 1se9 s VAL 64 Ca 0.08 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1se9 s VAL 64 Cb -0.11 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1se9 s VAL 64 CO 0.01 -0.03 1.09 -0.76 0.00 0.00 0.00 175.10 175.40 1se9 s LEU 65 N 2.60 4.16 0.14 3.92 1.02 -0.07 -5.00 118.68 125.45 1se9 s LEU 65 Ca 0.35 1.52 -0.30 0.00 0.02 0.00 0.00 54.13 55.71 1se9 s LEU 65 Cb -0.16 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.44 1se9 s LEU 65 CO 0.09 -0.63 1.16 -0.70 0.02 0.00 0.00 176.35 176.29 1se9 s GLU 66 N 2.91 4.51 0.55 1.70 2.12 -1.26 -4.73 118.70 124.49 1se9 s GLU 66 Ca 0.48 1.78 0.33 0.00 0.36 0.00 0.00 54.97 57.92 1se9 s GLU 66 Cb -0.18 -3.29 1.50 0.00 0.26 0.00 0.00 34.13 32.42 1se9 s GLU 66 CO 0.12 -0.09 2.05 -2.95 -0.54 0.00 0.00 175.26 173.84 1se9 h ASN 67 N 5.75 0.00 0.60 -1.70 7.08 -1.94 -2.81 115.58 122.55 1se9 h ASN 67 Ca -0.43 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 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 0.76 0.06 -0.01 -1.20 -2.08 0.00 0.00 177.43 174.96 1se9 n SER 68 N -3.25 0.03 -4.83 6.14 7.64 -1.26 -1.65 113.62 116.43 1se9 n SER 68 Ca -0.01 -0.11 -0.22 0.00 1.01 0.00 0.00 58.87 59.55 1se9 n SER 68 Cb 0.27 -0.29 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.61 2.53 0.48 1.43 -2.85 -1.06 -4.95 119.74 112.71 1se9 s LYS 69 Ca 0.27 -1.50 0.08 0.00 -1.00 0.00 0.00 55.97 53.82 1se9 s LYS 69 Cb 0.20 -2.33 0.03 0.00 -2.06 0.00 0.00 37.83 33.67 1se9 s LYS 69 CO 0.47 -0.05 0.65 0.95 0.10 0.00 0.00 175.35 177.47 1se9 s THR 70 N -2.43 2.73 0.40 3.79 -4.23 -1.26 0.12 115.64 114.77 1se9 s THR 70 Ca 0.44 -0.97 0.24 0.00 -1.18 0.00 0.00 61.69 60.21 1se9 s THR 70 Cb -0.03 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.31 1se9 s THR 70 CO 0.26 0.00 2.03 0.58 -0.54 0.00 0.00 174.62 176.95 1se9 h VAL 71 N 0.46 0.70 -0.76 2.29 2.07 -0.61 -2.65 116.25 117.74 1se9 h VAL 71 Ca -0.37 -0.62 0.16 0.00 0.82 0.00 0.00 66.70 66.69 1se9 h VAL 71 Cb 1.28 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 1se9 h VAL 71 CO 0.44 0.15 0.51 0.50 0.02 0.00 0.00 177.57 179.19 1se9 h LYS 72 N 0.00 0.34 -0.00 1.57 1.63 -0.62 0.89 116.57 120.38 1se9 h LYS 72 Ca -0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1se9 h LYS 72 Cb 0.37 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1se9 h LYS 72 CO 0.02 0.22 -0.17 0.22 -3.45 0.00 0.00 179.45 176.30 1se9 h ASP 73 N 0.35 0.00 -0.23 4.20 3.58 -1.76 -2.01 116.42 120.55 1se9 h ASP 73 Ca 0.38 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1se9 h ASP 73 Cb 0.96 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1se9 h ASP 73 CO -0.11 0.17 0.00 -1.22 -2.88 0.00 0.00 179.24 175.20 1se9 n TYR 74 N -4.34 0.30 -2.69 0.28 4.01 0.13 -4.97 117.16 109.88 1se9 n TYR 74 Ca -0.02 -0.26 -0.40 0.00 -0.16 0.00 0.00 57.90 57.05 1se9 n TYR 74 Cb 0.23 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.07 4.78 -0.06 -0.72 6.06 -0.20 -5.05 118.95 122.70 1se9 s ARG 75 Ca 0.23 1.54 0.03 0.00 -2.50 0.00 0.00 55.73 55.03 1se9 s ARG 75 Cb 0.13 -3.29 -0.02 0.00 0.06 0.00 0.00 34.95 31.83 1se9 s ARG 75 CO 0.18 0.39 -0.14 0.45 -2.50 0.00 0.00 175.30 173.68 1se9 s SER 76 N -0.84 4.04 -0.20 -2.12 0.15 -1.26 -4.97 113.70 108.50 1se9 s SER 76 Ca 0.43 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.59 1se9 s SER 76 Cb -0.27 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 1se9 s SER 76 CO 0.33 0.32 1.95 -2.84 1.20 0.00 0.00 173.24 174.20 1se9 s PRO 77 N -0.60 3.51 0.10 5.44 0.02 -1.26 -4.82 135.00 137.39 1se9 s PRO 77 Ca 0.09 1.93 0.21 0.00 0.02 0.00 0.00 61.00 63.24 1se9 s PRO 77 Cb -0.11 -4.22 -0.12 0.00 0.02 0.00 0.00 34.50 30.06 1se9 s PRO 77 CO 0.01 -1.66 0.81 0.28 -0.33 0.00 0.00 177.00 176.11 1se9 n VAL 78 N 6.98 0.62 -1.49 3.83 0.31 -1.26 -4.95 118.33 122.38 1se9 n VAL 78 Ca 0.24 -0.58 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 1se9 n VAL 78 Cb 0.45 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.98 1se9 n VAL 78 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1se9 n SER 79 N -2.62 -4.71 -3.75 4.52 7.64 -1.26 -4.90 113.62 108.54 1se9 n SER 79 Ca -0.05 0.33 -0.04 0.00 1.01 0.00 0.00 58.87 60.13 1se9 n SER 79 Cb 0.64 -3.51 -0.01 0.00 -1.01 0.00 0.00 64.21 60.32 1se9 n SER 79 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1se9 s ASN 80 N -2.81 -0.18 0.65 6.43 3.84 -1.26 -5.15 114.94 116.46 1se9 s ASN 80 Ca 0.00 -0.40 -0.16 0.00 0.21 0.00 0.00 52.86 52.52 1se9 s ASN 80 Cb 0.00 0.49 -0.01 0.00 -0.55 0.00 0.00 41.25 41.18 1se9 s ASN 80 CO 0.00 -0.90 1.12 -0.76 -2.79 0.00 0.00 177.10 173.77 1se9 s LEU 81 N -2.93 3.43 -0.44 3.21 1.43 -1.26 -5.00 118.68 117.11 1se9 s LEU 81 Ca 0.12 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 1se9 s LEU 81 Cb -0.01 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 41.83 1se9 s LEU 81 CO 0.02 -1.61 0.45 0.00 0.23 0.00 0.00 176.35 175.45 1se9 s ALA 82 N -2.25 0.34 -0.83 4.21 0.00 -1.26 -4.97 121.76 117.00 1se9 s ALA 82 Ca 0.68 -1.83 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1se9 s ALA 82 Cb -0.21 -1.92 0.35 0.00 0.00 0.00 0.00 23.12 21.33 1se9 s ALA 82 CO 0.40 -2.05 1.76 0.41 0.00 0.00 0.00 175.76 176.28 1se9 n GLY 83 N 2.90 5.79 3.89 0.00 0.00 -1.21 -4.06 105.19 112.50 1se9 n GLY 83 Ca 0.26 -2.57 -0.27 0.00 0.00 0.00 0.00 46.02 43.44 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 -4.05 3.82 -0.25 4.61 0.00 -1.26 -4.54 121.76 120.10 1se9 s ALA 84 Ca 0.47 -1.08 -0.25 0.00 0.00 0.00 0.00 51.96 51.10 1se9 s ALA 84 Cb 0.34 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1se9 s ALA 84 CO -0.27 0.55 0.86 0.08 0.00 0.00 0.00 175.76 176.98 1se9 s VAL 85 N -1.72 4.80 -0.09 0.00 1.01 -1.25 -2.75 120.40 120.40 1se9 s VAL 85 Ca 0.33 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 1se9 s VAL 85 Cb -0.11 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1se9 s VAL 85 CO 0.27 -0.13 0.27 -0.89 0.00 0.00 0.00 175.10 174.62 1se9 s THR 86 N 2.94 5.28 -0.29 3.92 2.01 0.17 -4.93 115.64 124.75 1se9 s THR 86 Ca 0.36 0.52 -0.10 0.00 0.31 0.00 0.00 61.69 62.78 1se9 s THR 86 Cb -0.15 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1se9 s THR 86 CO 0.08 0.54 0.15 -0.89 -0.69 0.00 0.00 174.62 173.81 1se9 s THR 87 N -0.65 4.79 -0.05 -0.82 2.01 -1.26 -0.93 115.64 118.73 1se9 s THR 87 Ca 0.18 -0.14 -0.07 0.00 0.31 0.00 0.00 61.69 61.96 1se9 s THR 87 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1se9 s THR 87 CO 0.07 0.20 0.22 -0.04 -0.69 0.00 0.00 174.62 174.38 1se9 s MET 88 N 1.67 3.55 -0.22 4.92 -1.94 -0.43 -4.93 119.30 121.92 1se9 s MET 88 Ca 0.06 -0.06 -0.15 0.00 -1.71 0.00 0.00 55.69 53.83 1se9 s MET 88 Cb -0.16 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 1se9 s MET 88 CO 0.07 0.71 0.39 -1.01 -0.01 0.00 0.00 175.02 175.17 1se9 s HIS 89 N -1.15 3.34 -0.27 -0.03 3.76 0.01 -0.78 115.29 120.17 1se9 s HIS 89 Ca 0.21 0.55 -0.10 0.00 -0.15 0.00 0.00 55.06 55.58 1se9 s HIS 89 Cb -0.13 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 1se9 s HIS 89 CO 0.11 -0.07 0.16 0.08 -0.85 0.00 0.00 174.74 174.17 1se9 s VAL 90 N 1.51 5.09 -0.32 -0.90 1.01 0.47 -0.89 120.40 126.37 1se9 s VAL 90 Ca 0.18 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1se9 s VAL 90 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1se9 s VAL 90 CO 0.08 0.29 0.27 -0.63 0.00 0.00 0.00 175.10 175.11 1se9 s ILE 91 N 1.61 5.25 -0.28 2.22 -1.09 0.31 -3.19 121.20 126.02 1se9 s ILE 91 Ca 0.07 -0.01 -0.11 0.00 -2.23 0.00 0.00 60.65 58.37 1se9 s ILE 91 Cb -0.15 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1se9 s ILE 91 CO 0.08 0.03 0.19 -0.63 -1.23 0.00 0.00 174.94 173.39 1se9 s ILE 92 N 1.84 5.29 -0.29 2.92 -1.09 -1.26 -0.76 121.20 127.85 1se9 s ILE 92 Ca 0.08 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1se9 s ILE 92 Cb -0.17 -3.54 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1se9 s ILE 92 CO 0.11 0.23 -0.03 -1.10 -1.23 0.00 0.00 174.94 172.92 1se9 s GLN 93 N 1.75 2.30 -0.01 2.79 -0.21 -0.80 -5.03 119.66 120.44 1se9 s GLN 93 Ca 0.07 -1.35 -0.02 0.00 0.02 0.00 0.00 55.36 54.08 1se9 s GLN 93 Cb -0.16 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.71 1se9 s GLN 93 CO 0.11 -0.64 0.14 0.00 -2.12 0.00 0.00 175.29 172.78 1se9 s ALA 94 N 1.18 3.82 0.91 6.09 0.00 -1.26 -4.64 121.76 127.85 1se9 s ALA 94 Ca -0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1se9 s ALA 94 Cb -0.20 -1.77 0.14 0.00 0.00 0.00 0.00 23.12 21.29 1se9 s ALA 94 CO -0.03 0.72 1.10 -1.25 0.00 0.00 0.00 175.76 176.30 1se9 s PRO 95 N -1.85 1.10 -0.77 0.00 0.04 -1.26 -4.89 135.00 127.37 1se9 s PRO 95 Ca 0.25 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1se9 s PRO 95 Cb -0.12 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1se9 s PRO 95 CO 0.17 -2.42 1.72 0.08 0.04 0.00 0.00 177.00 176.59 1se9 s VAL 96 N -2.79 3.52 -0.20 -0.36 1.01 -1.26 -4.83 120.40 115.49 1se9 s VAL 96 Ca 0.64 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1se9 s VAL 96 Cb -0.20 -4.28 0.14 0.00 0.00 0.00 0.00 36.38 32.04 1se9 s VAL 96 CO 0.58 -1.23 1.08 0.28 0.00 0.00 0.00 175.10 175.81 1se9 s THR 97 N 8.21 0.00 -0.08 3.92 -1.32 -1.26 -5.15 115.64 119.96 1se9 s THR 97 Ca 0.59 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 61.05 1se9 s THR 97 Cb -0.08 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1se9 s THR 97 CO 0.10 0.00 0.02 -0.70 -2.21 0.00 0.00 174.62 171.83 1se9 s GLU 98 N -0.92 0.42 -0.29 7.08 2.12 -1.26 -4.91 118.70 120.93 1se9 s GLU 98 Ca 0.01 0.13 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 1se9 s GLU 98 Cb -0.01 -0.98 0.01 0.00 0.26 0.00 0.00 34.13 33.40 1se9 s GLU 98 CO -0.01 -0.35 0.34 1.17 -0.54 0.00 0.00 175.26 175.86 1se9 n LYS 99 N 5.18 -1.03 -3.69 4.30 3.00 -1.26 -4.99 118.16 119.66 1se9 n LYS 99 Ca -0.06 1.23 -0.30 0.00 -0.00 0.00 0.00 58.31 59.18 1se9 n LYS 99 Cb 0.50 -3.72 -0.09 0.00 0.00 0.00 0.00 35.03 31.71 1se9 n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1se9 n GLU 100 N -0.79 2.27 0.00 1.64 0.00 -1.26 -5.13 120.64 117.36 1se9 n GLU 100 Ca 0.04 -4.55 0.00 0.00 0.00 0.00 0.00 57.16 52.65 1se9 n GLU 100 Cb 0.34 -2.31 0.00 0.00 0.00 0.00 0.00 31.44 29.47 1se9 n GLU 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30