#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 1.42 0.17 0.62 0.00 -1.26 -5.11 121.76 117.61 1se9 s ALA 2 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1se9 s ALA 2 Cb 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.35 1se9 s ALA 2 CO 0.00 -0.22 0.57 -1.83 0.00 0.00 0.00 175.76 174.27 1se9 s GLU 3 N 1.30 1.31 0.39 0.00 1.03 -1.26 -5.16 118.70 116.32 1se9 s GLU 3 Ca -0.02 -0.62 -0.16 0.00 0.03 0.00 0.00 54.97 54.20 1se9 s GLU 3 Cb -0.14 0.56 -0.09 0.00 -0.80 0.00 0.00 34.13 33.66 1se9 s GLU 3 CO -0.04 -0.57 0.84 0.54 -1.33 0.00 0.00 175.26 174.69 1se9 s VAL 4 N -3.79 4.59 -1.96 1.83 0.11 -1.26 -4.97 120.40 114.95 1se9 s VAL 4 Ca 0.04 1.09 0.22 0.00 -2.93 0.00 0.00 61.98 60.40 1se9 s VAL 4 Cb -0.01 -3.64 0.65 0.00 -1.53 0.00 0.00 36.38 31.85 1se9 s VAL 4 CO -0.09 -0.34 1.54 1.57 -3.33 0.00 0.00 175.10 174.44 1se9 n HIS 5 N -0.75 1.00 0.81 1.54 -0.00 -1.26 -3.88 115.22 112.68 1se9 n HIS 5 Ca 0.05 -0.49 0.13 0.00 0.46 0.00 0.00 57.72 57.86 1se9 n HIS 5 Cb 0.54 -0.01 0.35 0.00 -0.12 0.00 0.00 29.99 30.74 1se9 n HIS 5 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1se9 n ASN 6 N 1.61 0.49 -4.97 0.26 3.02 -1.26 -4.78 115.26 109.63 1se9 n ASN 6 Ca 0.24 0.20 -0.21 0.00 -0.03 0.00 0.00 54.58 54.78 1se9 n ASN 6 Cb 0.63 -0.16 0.01 0.00 -0.61 0.00 0.00 39.78 39.65 1se9 n ASN 6 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1se9 s GLN 7 N -3.07 3.02 -0.11 3.52 -0.21 -1.25 -4.97 119.66 116.59 1se9 s GLN 7 Ca 0.10 -0.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.72 1se9 s GLN 7 Cb 0.16 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1se9 s GLN 7 CO 0.64 -0.21 0.08 -0.51 -2.12 0.00 0.00 175.29 173.17 1se9 s LEU 8 N -4.45 4.00 -0.01 2.90 1.02 -0.02 -4.75 118.68 117.38 1se9 s LEU 8 Ca 0.48 0.30 -0.20 0.00 0.02 0.00 0.00 54.13 54.73 1se9 s LEU 8 Cb -0.10 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.10 1se9 s LEU 8 CO 0.36 0.38 0.58 -1.61 0.02 0.00 0.00 176.35 176.07 1se9 s GLU 9 N -0.84 4.29 -0.02 1.70 8.01 -1.25 0.63 118.70 131.22 1se9 s GLU 9 Ca 0.13 0.70 0.06 0.00 0.01 0.00 0.00 54.97 55.87 1se9 s GLU 9 Cb -0.12 -3.34 -0.01 0.00 -4.31 0.00 0.00 34.13 26.35 1se9 s GLU 9 CO 0.03 0.38 -0.20 0.42 0.01 0.00 0.00 175.26 175.90 1se9 s ILE 10 N -0.22 1.58 0.03 -1.63 1.01 0.65 -0.78 121.20 121.85 1se9 s ILE 10 Ca 0.30 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1se9 s ILE 10 Cb -0.18 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1se9 s ILE 10 CO 0.17 0.45 -0.19 -1.59 0.00 0.00 0.00 174.94 173.77 1se9 s LYS 11 N -0.41 2.07 -0.22 2.79 -2.85 0.13 -0.45 119.74 120.81 1se9 s LYS 11 Ca 0.06 -0.97 -0.09 0.00 -1.00 0.00 0.00 55.97 53.97 1se9 s LYS 11 Cb -0.08 -2.17 -0.04 0.00 -2.06 0.00 0.00 37.83 33.47 1se9 s LYS 11 CO -0.00 0.54 0.10 -0.06 0.10 0.00 0.00 175.35 176.04 1se9 s PHE 12 N -0.88 3.25 -0.28 1.78 0.08 -1.24 -1.47 117.98 119.22 1se9 s PHE 12 Ca 0.14 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 1se9 s PHE 12 Cb -0.10 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 1se9 s PHE 12 CO 0.04 0.03 0.28 1.03 -0.10 0.00 0.00 175.22 176.50 1se9 s ARG 13 N 0.88 3.96 0.67 0.44 1.81 0.11 -0.21 118.95 126.60 1se9 s ARG 13 Ca 0.05 -0.17 -0.09 0.00 -1.72 0.00 0.00 55.73 53.80 1se9 s ARG 13 Cb -0.13 -3.66 0.01 0.00 -0.45 0.00 0.00 34.95 30.71 1se9 s ARG 13 CO 0.03 -0.24 1.03 -0.51 -0.68 0.00 0.00 175.30 174.93 1se9 s LEU 14 N 1.90 3.01 0.38 2.53 2.01 0.98 0.29 118.68 129.78 1se9 s LEU 14 Ca 0.11 0.98 0.28 0.00 0.01 0.00 0.00 54.13 55.50 1se9 s LEU 14 Cb -0.16 -3.78 1.18 0.00 0.01 0.00 0.00 46.19 43.43 1se9 s LEU 14 CO 0.11 -1.25 1.83 0.71 1.01 0.00 0.00 176.35 178.76 1se9 h THR 15 N -0.49 0.00 0.00 5.49 1.35 -1.82 -1.93 112.91 115.51 1se9 h THR 15 Ca -0.45 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1se9 h THR 15 Cb 1.26 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1se9 h THR 15 CO 0.63 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.23 1se9 n ASP 16 N -2.57 0.00 0.00 5.36 2.03 -1.26 -4.87 116.55 115.24 1se9 n ASP 16 Ca 0.01 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1se9 n ASP 16 Cb 0.25 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 1.21 0.75 3.95 0.27 0.00 -0.73 -5.05 105.19 105.60 1se9 n GLY 17 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1se9 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1se9 s SER 18 N -2.67 6.34 0.34 1.61 1.04 -1.26 -4.89 113.70 114.21 1se9 s SER 18 Ca 0.00 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.66 1se9 s SER 18 Cb 0.00 -1.91 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 1se9 s SER 18 CO 0.00 0.04 0.02 1.51 0.98 0.00 0.00 173.24 175.80 1se9 s ASP 19 N -3.26 2.87 -0.08 7.02 -4.77 -1.26 -0.02 116.67 117.18 1se9 s ASP 19 Ca 0.35 -1.34 -0.02 0.00 -3.30 0.00 0.00 52.55 48.23 1se9 s ASP 19 Cb -0.11 -0.19 -0.03 0.00 -1.09 0.00 0.00 42.92 41.50 1se9 s ASP 19 CO 0.29 -0.51 0.02 -0.63 0.70 0.00 0.00 175.17 175.04 1se9 s ILE 20 N -3.08 4.48 0.43 2.11 1.01 0.70 -4.94 121.20 121.91 1se9 s ILE 20 Ca 0.35 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 1se9 s ILE 20 Cb 0.08 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 1se9 s ILE 20 CO 0.16 0.57 1.16 0.61 0.00 0.00 0.00 174.94 177.44 1se9 n GLY 21 N 2.00 0.21 3.73 6.18 0.00 -1.26 -3.59 105.19 112.47 1se9 n GLY 21 Ca -0.18 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.01 2.24 -4.37 1.61 -0.04 -1.26 -4.75 135.00 128.42 1se9 n PRO 22 Ca 0.08 0.79 -0.28 0.00 -0.04 0.00 0.00 63.50 64.06 1se9 n PRO 22 Cb 0.40 -2.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.23 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 -2.17 1.33 -0.19 0.54 2.47 0.40 -4.86 119.74 117.28 1se9 s LYS 23 Ca 0.58 -1.30 -0.16 0.00 -1.56 0.00 0.00 55.97 53.52 1se9 s LYS 23 Cb -0.50 -1.78 -0.04 0.00 -1.46 0.00 0.00 37.83 34.06 1se9 s LYS 23 CO 0.60 0.42 0.42 0.00 0.16 0.00 0.00 175.35 176.95 1se9 s ALA 24 N -1.08 3.55 -0.08 3.13 0.00 -1.26 -0.25 121.76 125.76 1se9 s ALA 24 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1se9 s ALA 24 Cb -0.10 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1se9 s ALA 24 CO 0.06 -0.25 -0.10 -0.06 0.00 0.00 0.00 175.76 175.41 1se9 s PHE 25 N 1.20 1.36 0.65 0.00 0.40 0.21 -4.87 117.98 116.92 1se9 s PHE 25 Ca 0.20 -0.55 -0.18 0.00 -0.60 0.00 0.00 56.93 55.81 1se9 s PHE 25 Cb -0.15 -1.06 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 1se9 s PHE 25 CO 0.08 -0.34 1.24 -2.14 0.70 0.00 0.00 175.22 174.76 1se9 s PRO 26 N 1.05 2.60 0.37 0.24 0.02 -1.26 -0.84 135.00 137.19 1se9 s PRO 26 Ca -0.08 1.90 0.15 0.00 0.02 0.00 0.00 61.00 62.98 1se9 s PRO 26 Cb -0.15 -1.87 0.99 0.00 0.02 0.00 0.00 34.50 33.50 1se9 s PRO 26 CO -0.01 -1.51 1.78 -0.44 -0.33 0.00 0.00 177.00 176.50 1se9 h ASP 27 N 0.45 0.54 0.57 2.53 5.19 -1.95 -1.32 116.42 122.44 1se9 h ASP 27 Ca -0.50 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1se9 h ASP 27 Cb 1.31 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1se9 h ASP 27 CO 0.53 0.15 -0.05 0.00 -3.12 0.00 0.00 179.24 176.74 1se9 n ALA 28 N -2.43 2.59 -1.86 3.45 0.00 -1.26 -1.96 120.51 119.04 1se9 n ALA 28 Ca 0.24 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 1se9 n ALA 28 Cb 0.76 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.63 2.59 0.54 0.00 2.01 -0.50 -4.79 115.64 112.87 1se9 s THR 29 Ca 0.26 0.51 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 1se9 s THR 29 Cb 0.20 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1se9 s THR 29 CO 0.49 0.08 0.90 0.42 -0.69 0.00 0.00 174.62 175.82 1se9 s THR 30 N -0.12 4.79 0.43 -0.82 -4.23 -1.26 -0.34 115.64 114.09 1se9 s THR 30 Ca 0.59 0.59 0.13 0.00 -1.18 0.00 0.00 61.69 61.81 1se9 s THR 30 Cb -0.42 -3.85 0.18 0.00 1.34 0.00 0.00 72.50 69.75 1se9 s THR 30 CO 0.45 -0.94 1.98 0.58 -0.54 0.00 0.00 174.62 176.15 1se9 h VAL 31 N 0.11 1.14 -0.72 2.29 2.07 0.24 -0.55 116.25 120.83 1se9 h VAL 31 Ca -0.46 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1se9 h VAL 31 Cb 1.20 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1se9 h VAL 31 CO 0.62 0.19 0.40 -1.28 0.02 0.00 0.00 177.57 177.51 1se9 h SER 32 N 0.08 0.90 0.24 0.57 0.87 -1.39 -2.17 113.55 112.65 1se9 h SER 32 Ca 0.02 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.41 1se9 h SER 32 Cb 0.31 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1se9 h SER 32 CO 0.02 0.74 -0.31 0.00 -0.53 0.00 0.00 176.83 176.75 1se9 h ALA 33 N 1.20 1.37 -0.17 6.23 0.00 -1.41 0.20 119.26 126.68 1se9 h ALA 33 Ca 0.25 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1se9 h ALA 33 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1se9 h ALA 33 CO -0.04 0.45 -0.06 -0.07 0.00 0.00 0.00 179.25 179.53 1se9 h LEU 34 N 0.10 -0.22 -0.55 0.00 -0.00 -0.76 0.11 115.31 114.00 1se9 h LEU 34 Ca 0.01 0.06 -0.08 0.00 -0.00 0.00 0.00 57.88 57.87 1se9 h LEU 34 Cb 0.60 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.37 1se9 h LEU 34 CO 0.04 -0.08 0.02 0.11 -0.00 0.00 0.00 178.44 178.53 1se9 h LYS 35 N -0.03 0.96 -0.98 1.13 1.57 -0.81 -0.11 116.57 118.30 1se9 h LYS 35 Ca 0.09 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1se9 h LYS 35 Cb 0.17 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 1se9 h LYS 35 CO -0.20 0.95 0.63 0.93 -0.57 0.00 0.00 179.45 181.19 1se9 h GLU 36 N 0.84 1.07 -0.24 3.15 4.39 -0.35 0.12 114.58 123.55 1se9 h GLU 36 Ca 0.16 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1se9 h GLU 36 Cb 0.51 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1se9 h GLU 36 CO 0.02 0.71 0.08 1.15 -1.16 0.00 0.00 179.01 179.81 1se9 h THR 37 N 1.10 1.19 -0.27 1.13 2.02 -0.19 -1.69 112.91 116.19 1se9 h THR 37 Ca 0.44 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1se9 h THR 37 Cb 0.25 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1se9 h THR 37 CO -0.20 0.19 0.09 0.58 0.37 0.00 0.00 175.52 176.55 1se9 h VAL 38 N 0.22 0.92 -0.80 3.16 2.07 0.26 0.12 116.25 122.21 1se9 h VAL 38 Ca 0.08 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1se9 h VAL 38 Cb 0.22 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1se9 h VAL 38 CO -0.00 0.04 0.51 0.40 0.02 0.00 0.00 177.57 178.54 1se9 h ILE 39 N 0.21 1.21 0.01 4.57 2.04 -0.74 -0.60 117.51 124.20 1se9 h ILE 39 Ca 0.12 -0.41 -0.25 0.00 1.00 0.00 0.00 64.86 65.32 1se9 h ILE 39 Cb 0.09 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1se9 h ILE 39 CO -0.13 0.21 -0.98 0.28 0.00 0.00 0.00 178.15 177.54 1se9 h SER 40 N 1.09 0.85 0.96 1.72 0.02 -0.49 -3.32 113.55 114.38 1se9 h SER 40 Ca 0.29 -0.75 -0.18 0.00 -0.84 0.00 0.00 61.79 60.32 1se9 h SER 40 Cb -0.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 1se9 h SER 40 CO -0.06 1.49 -0.84 -0.33 -1.14 0.00 0.00 176.83 175.95 1se9 h GLU 41 N 0.30 0.00 -7.04 3.45 4.39 -0.58 -3.45 114.58 111.66 1se9 h GLU 41 Ca -0.12 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.09 1se9 h GLU 41 Cb 1.64 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.34 1se9 h GLU 41 CO 0.19 0.84 0.43 -0.46 -1.16 0.00 0.00 179.01 178.85 1se9 s TRP 42 N -2.98 2.91 0.19 4.33 -0.11 -0.25 -4.93 118.94 118.11 1se9 s TRP 42 Ca 0.01 1.57 -0.23 0.00 1.22 0.00 0.00 56.10 58.66 1se9 s TRP 42 Cb 0.10 -3.22 -0.14 0.00 -1.50 0.00 0.00 33.47 28.71 1se9 s TRP 42 CO 0.79 -1.19 0.39 -2.30 -4.62 0.00 0.00 176.95 170.03 1se9 n PRO 43 N -0.79 0.00 0.05 5.86 -0.02 -1.26 -4.88 135.00 133.96 1se9 n PRO 43 Ca 0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 1se9 n PRO 43 Cb 0.50 -0.85 0.19 0.00 -0.02 0.00 0.00 33.50 33.33 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 0.78 0.37 -0.08 -0.52 -0.00 -1.91 -2.69 114.38 110.32 1se9 h ARG 44 Ca -0.25 -0.17 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 1se9 h ARG 44 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.19 1se9 h ARG 44 CO 0.47 0.69 0.00 -1.91 0.00 0.00 0.00 179.97 179.22 1se9 n GLU 45 N -4.05 1.39 -1.10 0.04 2.13 -1.26 -5.00 120.64 112.79 1se9 n GLU 45 Ca -0.01 -0.59 -0.39 0.00 0.66 0.00 0.00 57.16 56.83 1se9 n GLU 45 Cb 0.47 -1.35 -0.03 0.00 0.27 0.00 0.00 31.44 30.80 1se9 n GLU 45 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1se9 n LYS 46 N -0.20 0.00 0.00 5.31 0.00 -1.02 -5.00 118.16 117.25 1se9 n LYS 46 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 1se9 n LYS 46 Cb 0.21 -0.85 0.00 0.00 -0.00 0.00 0.00 35.03 34.38 1se9 n LYS 46 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1se9 n GLU 47 N 0.85 0.58 0.00 -1.58 0.28 -1.26 -4.86 120.64 114.65 1se9 n GLU 47 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1se9 n GLU 47 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1se9 n GLU 47 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1se9 n ASN 48 N -1.01 0.08 0.00 -1.84 4.13 -1.26 -4.55 115.26 110.81 1se9 n ASN 48 Ca 0.00 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1se9 n ASN 48 Cb 0.00 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 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 0.01 1.36 3.54 7.41 0.00 -1.26 -4.53 105.19 111.72 1se9 n GLY 49 Ca 0.00 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 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 0.90 -0.01 1.61 -0.02 -1.26 -4.67 135.00 131.56 1se9 n PRO 50 Ca 0.00 -0.02 -0.01 0.00 -2.02 0.00 0.00 63.50 61.45 1se9 n PRO 50 Cb 0.00 -3.21 -0.00 0.00 -0.02 0.00 0.00 33.50 30.27 1se9 n PRO 50 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1se9 n LYS 51 N 8.94 0.02 -4.40 -0.52 2.85 -1.26 -4.79 118.16 119.01 1se9 n LYS 51 Ca 0.41 0.01 -0.21 0.00 -1.05 0.00 0.00 58.31 57.47 1se9 n LYS 51 Cb 0.48 -0.68 -0.09 0.00 -0.65 0.00 0.00 35.03 34.09 1se9 n LYS 51 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1se9 s THR 52 N -2.02 0.54 0.56 0.58 -4.23 -1.26 -4.93 115.64 104.88 1se9 s THR 52 Ca -0.01 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.73 1se9 s THR 52 Cb 0.00 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.64 1se9 s THR 52 CO 0.02 0.00 2.20 1.62 -0.54 0.00 0.00 174.62 177.92 1se9 h VAL 53 N 2.10 0.73 0.00 2.29 3.04 -1.91 -2.52 116.25 119.99 1se9 h VAL 53 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1se9 h VAL 53 Cb 1.25 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1se9 h VAL 53 CO 0.56 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.23 1se9 h LYS 54 N 0.00 0.00 0.00 4.17 1.79 -2.01 -2.91 116.57 117.61 1se9 h LYS 54 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1se9 h LYS 54 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1se9 h LYS 54 CO -0.00 0.00 -0.12 -0.85 -1.08 0.00 0.00 179.45 177.40 1se9 n GLU 55 N -2.55 1.00 -4.17 3.15 0.00 -0.95 -4.99 120.64 112.13 1se9 n GLU 55 Ca 0.01 -2.18 -0.32 0.00 0.00 0.00 0.00 57.16 54.67 1se9 n GLU 55 Cb 0.25 -1.25 -0.16 0.00 0.00 0.00 0.00 31.44 30.28 1se9 n GLU 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1se9 s VAL 56 N -2.16 1.96 0.00 3.84 0.11 -1.10 -1.05 120.40 122.01 1se9 s VAL 56 Ca 0.24 -0.88 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 1se9 s VAL 56 Cb 0.21 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 1se9 s VAL 56 CO 0.02 0.52 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.41 1se9 s LYS 57 N 1.26 2.28 -0.15 1.54 2.20 -0.35 -4.92 119.74 121.60 1se9 s LYS 57 Ca 0.03 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.81 1se9 s LYS 57 Cb -0.13 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 33.92 1se9 s LYS 57 CO -0.11 0.58 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.08 1se9 s LEU 58 N -1.13 2.08 -0.07 5.43 1.98 -1.26 -0.45 118.68 125.26 1se9 s LEU 58 Ca 0.13 -0.61 0.04 0.00 -2.89 0.00 0.00 54.13 50.81 1se9 s LEU 58 Cb -0.11 -1.43 0.00 0.00 0.66 0.00 0.00 46.19 45.32 1se9 s LEU 58 CO 0.03 0.04 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.72 1se9 s ILE 59 N 1.01 1.61 -0.04 6.68 1.01 -0.22 -1.09 121.20 130.16 1se9 s ILE 59 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1se9 s ILE 59 Cb -0.15 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.95 1se9 s ILE 59 CO -0.06 0.46 -0.04 -0.55 0.00 0.00 0.00 174.94 174.75 1se9 s SER 60 N 0.28 0.82 -2.00 3.58 0.15 -0.34 0.27 113.70 116.47 1se9 s SER 60 Ca -0.11 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1se9 s SER 60 Cb -0.15 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1se9 s SER 60 CO 0.05 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.44 1se9 n ALA 61 N 3.95 -0.29 -0.88 5.45 0.00 -1.26 -1.37 120.51 126.10 1se9 n ALA 61 Ca -0.25 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1se9 n ALA 61 Cb 0.51 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.66 0.59 3.08 0.00 0.00 -1.26 -5.07 105.19 101.87 1se9 n GLY 62 Ca -0.19 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.81 0.98 -0.06 1.61 2.20 -0.47 -5.12 119.74 117.06 1se9 s LYS 63 Ca 0.00 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 1se9 s LYS 63 Cb 0.00 -0.95 -0.03 0.00 -1.51 0.00 0.00 37.83 35.34 1se9 s LYS 63 CO 0.00 0.26 0.87 0.08 -0.36 0.00 0.00 175.35 176.20 1se9 s VAL 64 N -0.33 4.92 -0.35 4.02 1.01 -1.26 -1.19 120.40 127.20 1se9 s VAL 64 Ca 0.04 1.79 -0.21 0.00 0.00 0.00 0.00 61.98 63.60 1se9 s VAL 64 Cb -0.05 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1se9 s VAL 64 CO -0.00 0.15 0.68 -0.76 0.00 0.00 0.00 175.10 175.16 1se9 s LEU 65 N 1.27 4.21 0.09 3.92 1.02 -0.25 -4.99 118.68 123.96 1se9 s LEU 65 Ca 0.45 0.23 -0.31 0.00 0.02 0.00 0.00 54.13 54.52 1se9 s LEU 65 Cb -0.19 -2.86 -0.07 0.00 0.02 0.00 0.00 46.19 43.10 1se9 s LEU 65 CO 0.21 -0.62 1.27 -0.70 0.02 0.00 0.00 176.35 176.53 1se9 s GLU 66 N 2.81 4.39 0.42 1.70 -6.30 -1.26 -4.70 118.70 115.76 1se9 s GLU 66 Ca 0.26 1.89 0.23 0.00 -2.50 0.00 0.00 54.97 54.86 1se9 s GLU 66 Cb -0.14 -3.30 1.24 0.00 0.00 0.00 0.00 34.13 31.93 1se9 s GLU 66 CO 0.15 -0.31 1.72 -0.91 0.02 0.00 0.00 175.26 175.93 1se9 h ASN 67 N 6.67 0.35 0.79 -1.70 2.35 -1.96 -1.41 115.58 120.67 1se9 h ASN 67 Ca -0.42 0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 1se9 h ASN 67 Cb 1.21 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 1se9 h ASN 67 CO 0.83 -0.01 -0.18 0.28 -1.65 0.00 0.00 177.43 176.70 1se9 h SER 68 N 0.26 0.00 -4.46 5.81 0.02 -1.94 -0.80 113.55 112.44 1se9 h SER 68 Ca 0.67 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 61.13 1se9 h SER 68 Cb 1.91 0.00 0.09 0.00 0.14 0.00 0.00 62.40 64.55 1se9 h SER 68 CO -0.32 0.18 0.39 -0.54 -1.14 0.00 0.00 176.83 175.40 1se9 s LYS 69 N -3.78 2.44 0.38 3.45 -0.14 -0.53 -4.75 119.74 116.81 1se9 s LYS 69 Ca -0.00 0.41 0.08 0.00 -1.36 0.00 0.00 55.97 55.09 1se9 s LYS 69 Cb 0.11 -1.98 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 1se9 s LYS 69 CO 0.61 -1.32 0.38 0.95 -0.76 0.00 0.00 175.35 175.21 1se9 s THR 70 N -3.37 3.12 0.15 2.17 -4.23 -1.26 0.44 115.64 112.66 1se9 s THR 70 Ca 0.60 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.66 1se9 s THR 70 Cb -0.12 -3.10 -0.00 0.00 1.34 0.00 0.00 72.50 70.62 1se9 s THR 70 CO 0.52 -0.07 1.78 0.58 -0.54 0.00 0.00 174.62 176.88 1se9 h VAL 71 N 1.05 1.01 -0.62 2.29 2.07 -0.60 -2.77 116.25 118.68 1se9 h VAL 71 Ca -0.43 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1se9 h VAL 71 Cb 1.26 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1se9 h VAL 71 CO 0.56 0.07 0.42 0.50 0.02 0.00 0.00 177.57 179.14 1se9 h LYS 72 N 0.38 0.37 -0.54 1.57 3.64 -1.67 -0.39 116.57 119.93 1se9 h LYS 72 Ca 0.14 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1se9 h LYS 72 Cb 0.03 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1se9 h LYS 72 CO -0.08 0.25 0.16 0.22 -2.27 0.00 0.00 179.45 177.72 1se9 h ASP 73 N 0.38 0.75 0.15 4.20 1.82 -1.77 -2.90 116.42 119.05 1se9 h ASP 73 Ca 0.29 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1se9 h ASP 73 Cb 0.63 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1se9 h ASP 73 CO -0.08 0.73 -1.67 -1.22 -1.61 0.00 0.00 179.24 175.39 1se9 n TYR 74 N -4.29 0.13 -1.95 0.28 4.02 -0.81 -4.94 117.16 109.59 1se9 n TYR 74 Ca 0.04 0.04 -0.32 0.00 -0.01 0.00 0.00 57.90 57.65 1se9 n TYR 74 Cb 0.21 -0.48 0.01 0.00 -0.02 0.00 0.00 39.34 39.06 1se9 n TYR 74 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1se9 s ARG 75 N -3.40 3.43 0.49 -0.72 3.52 -0.22 -5.02 118.95 117.03 1se9 s ARG 75 Ca -0.04 0.96 -0.22 0.00 -0.13 0.00 0.00 55.73 56.30 1se9 s ARG 75 Cb 0.14 -2.06 -0.06 0.00 -1.56 0.00 0.00 34.95 31.41 1se9 s ARG 75 CO 0.88 -0.71 1.21 -1.12 -0.81 0.00 0.00 175.30 174.75 1se9 s SER 76 N -3.49 5.87 1.34 -2.12 0.01 -1.26 -4.92 113.70 109.13 1se9 s SER 76 Ca 0.59 2.41 -0.22 0.00 1.31 0.00 0.00 55.95 60.04 1se9 s SER 76 Cb -0.13 -2.61 0.33 0.00 0.21 0.00 0.00 66.02 63.82 1se9 s SER 76 CO 0.45 -1.13 0.97 -0.81 0.41 0.00 0.00 173.24 173.13 1se9 n PRO 77 N -0.74 -3.82 -2.52 12.44 -0.04 -1.26 -4.85 135.00 134.23 1se9 n PRO 77 Ca 0.09 -1.58 -0.41 0.00 -0.04 0.00 0.00 63.50 61.56 1se9 n PRO 77 Cb 0.48 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.22 1se9 n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1se9 s VAL 78 N -2.57 3.99 0.52 0.52 1.01 -1.26 -4.88 120.40 117.73 1se9 s VAL 78 Ca 0.67 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1se9 s VAL 78 Cb -0.09 -5.07 0.02 0.00 0.00 0.00 0.00 36.38 31.25 1se9 s VAL 78 CO 0.54 -1.88 0.39 -0.44 0.00 0.00 0.00 175.10 173.70 1se9 s SER 79 N 4.77 4.68 -0.81 3.32 0.01 -1.26 -5.06 113.70 119.35 1se9 s SER 79 Ca 0.53 -1.16 -0.19 0.00 1.31 0.00 0.00 55.95 56.44 1se9 s SER 79 Cb 0.02 0.21 0.12 0.00 0.21 0.00 0.00 66.02 66.58 1se9 s SER 79 CO 0.03 -1.01 1.00 0.21 0.41 0.00 0.00 173.24 173.88 1se9 s ASN 80 N -4.24 6.46 0.36 2.44 3.84 -1.26 -4.98 114.94 117.56 1se9 s ASN 80 Ca 0.37 -1.75 0.06 0.00 0.21 0.00 0.00 52.86 51.75 1se9 s ASN 80 Cb -0.02 -2.38 0.06 0.00 -0.55 0.00 0.00 41.25 38.36 1se9 s ASN 80 CO 0.23 -1.13 0.46 0.00 -2.79 0.00 0.00 177.10 173.87 1se9 n LEU 81 N 6.63 0.00 -3.77 3.21 -0.00 -1.26 -5.10 117.00 116.71 1se9 n LEU 81 Ca 0.12 -1.58 -0.30 0.00 -0.00 0.00 0.00 56.01 54.26 1se9 n LEU 81 Cb 0.47 -0.23 -0.14 0.00 -0.00 0.00 0.00 43.42 43.52 1se9 n LEU 81 CO 0.54 -0.61 -0.27 0.00 -0.00 0.00 0.00 177.39 177.05 1se9 s ALA 82 N -2.44 2.21 -0.02 1.47 0.00 -1.26 -4.92 121.76 116.80 1se9 s ALA 82 Ca 0.35 -2.46 -0.00 0.00 0.00 0.00 0.00 51.96 49.85 1se9 s ALA 82 Cb -0.03 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1se9 s ALA 82 CO 0.22 -1.94 0.01 0.41 0.00 0.00 0.00 175.76 174.47 1se9 n GLY 83 N 3.86 -3.03 3.54 0.00 0.00 -1.26 -4.91 105.19 103.39 1se9 n GLY 83 Ca 0.05 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.09 2.96 -0.09 4.61 0.00 -1.26 -4.94 121.76 122.95 1se9 s ALA 84 Ca -0.01 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.68 1se9 s ALA 84 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 23.12 19.11 1se9 s ALA 84 CO 0.06 -2.85 -0.11 0.08 0.00 0.00 0.00 175.76 172.94 1se9 s VAL 85 N 4.89 1.18 -0.17 0.00 1.01 -1.26 -3.84 120.40 122.21 1se9 s VAL 85 Ca 0.34 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.78 1se9 s VAL 85 Cb -0.10 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1se9 s VAL 85 CO 0.18 0.38 0.13 -0.89 0.00 0.00 0.00 175.10 174.90 1se9 s THR 86 N 1.07 5.42 -0.27 3.92 2.01 0.04 -4.99 115.64 122.84 1se9 s THR 86 Ca -0.07 0.19 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1se9 s THR 86 Cb -0.15 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1se9 s THR 86 CO -0.01 0.51 0.09 -0.89 -0.69 0.00 0.00 174.62 173.63 1se9 s THR 87 N -0.20 4.33 -0.03 -0.82 2.01 -1.26 -0.69 115.64 118.99 1se9 s THR 87 Ca 0.11 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 61.90 1se9 s THR 87 Cb -0.11 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1se9 s THR 87 CO 0.00 0.25 -0.24 -0.04 -0.69 0.00 0.00 174.62 173.91 1se9 s MET 88 N 1.60 2.09 -0.24 4.92 -1.94 -0.54 -4.45 119.30 120.74 1se9 s MET 88 Ca 0.06 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.04 1se9 s MET 88 Cb -0.16 -1.96 -0.05 0.00 2.01 0.00 0.00 34.83 34.68 1se9 s MET 88 CO 0.04 0.49 0.23 -1.58 -0.01 0.00 0.00 175.02 174.19 1se9 s HIS 89 N -0.47 3.31 -0.25 -0.03 2.46 0.14 0.06 115.29 120.50 1se9 s HIS 89 Ca 0.06 0.31 -0.13 0.00 0.47 0.00 0.00 55.06 55.77 1se9 s HIS 89 Cb -0.10 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 29.94 1se9 s HIS 89 CO 0.00 -0.01 0.29 0.08 -2.47 0.00 0.00 174.74 172.63 1se9 s VAL 90 N 1.31 5.25 -0.27 0.89 1.01 0.14 -1.06 120.40 127.68 1se9 s VAL 90 Ca 0.10 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 1se9 s VAL 90 Cb -0.14 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1se9 s VAL 90 CO 0.07 0.24 0.21 -0.63 0.00 0.00 0.00 175.10 174.99 1se9 s ILE 91 N 1.59 5.30 -0.20 2.22 1.01 0.41 -2.98 121.20 128.56 1se9 s ILE 91 Ca 0.12 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.79 1se9 s ILE 91 Cb -0.15 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1se9 s ILE 91 CO 0.08 0.26 0.69 -0.63 0.00 0.00 0.00 174.94 175.34 1se9 s ILE 92 N 1.61 4.97 -0.38 2.92 1.09 -1.26 -1.21 121.20 128.94 1se9 s ILE 92 Ca 0.08 1.30 -0.13 0.00 -1.10 0.00 0.00 60.65 60.81 1se9 s ILE 92 Cb -0.15 -4.00 0.02 0.00 -1.06 0.00 0.00 42.46 37.27 1se9 s ILE 92 CO 0.09 0.07 0.25 -1.10 -0.10 0.00 0.00 174.94 174.15 1se9 s GLN 93 N 2.08 3.02 -0.26 2.79 -0.21 -0.21 -5.01 119.66 121.84 1se9 s GLN 93 Ca 0.31 -0.97 -0.29 0.00 0.02 0.00 0.00 55.36 54.43 1se9 s GLN 93 Cb -0.16 -3.84 -0.01 0.00 1.00 0.00 0.00 33.01 30.01 1se9 s GLN 93 CO 0.10 -0.67 1.36 0.00 -2.12 0.00 0.00 175.29 173.96 1se9 s ALA 94 N 1.64 3.39 1.08 6.09 0.00 -1.26 -4.80 121.76 127.89 1se9 s ALA 94 Ca 0.04 0.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 1se9 s ALA 94 Cb -0.19 -3.77 0.21 0.00 0.00 0.00 0.00 23.12 19.37 1se9 s ALA 94 CO 0.09 -1.72 1.00 -0.35 0.00 0.00 0.00 175.76 174.77 1se9 n PRO 95 N 7.28 -1.72 -1.92 0.00 -0.04 -1.26 -4.98 135.00 132.37 1se9 n PRO 95 Ca 0.15 -1.56 -0.41 0.00 -0.04 0.00 0.00 63.50 61.64 1se9 n PRO 95 Cb 0.46 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 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 -3.05 2.42 -1.06 0.52 1.01 -1.26 -4.85 120.40 114.13 1se9 s VAL 96 Ca 0.59 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.70 1se9 s VAL 96 Cb -0.03 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1se9 s VAL 96 CO 0.43 0.06 1.81 -0.89 0.00 0.00 0.00 175.10 176.51 1se9 s THR 97 N -0.06 3.67 -0.41 3.92 2.01 -1.26 -4.63 115.64 118.88 1se9 s THR 97 Ca 0.60 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.85 1se9 s THR 97 Cb -0.44 -4.55 0.17 0.00 0.01 0.00 0.00 72.50 67.69 1se9 s THR 97 CO 0.46 -1.32 0.53 -0.70 -0.69 0.00 0.00 174.62 172.90 1se9 s GLU 98 N 6.05 0.79 -1.26 4.92 2.12 -1.26 -5.08 118.70 124.98 1se9 s GLU 98 Ca 0.62 -0.71 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 1se9 s GLU 98 Cb -0.02 -0.32 0.17 0.00 0.26 0.00 0.00 34.13 34.21 1se9 s GLU 98 CO 0.02 -1.22 1.72 0.36 -0.54 0.00 0.00 175.26 175.60 1se9 n LYS 99 N 4.06 3.51 -2.79 4.30 2.85 -1.26 -4.85 118.16 123.99 1se9 n LYS 99 Ca 0.13 -3.63 -0.43 0.00 -1.05 0.00 0.00 58.31 53.33 1se9 n LYS 99 Cb 0.52 -2.98 -0.02 0.00 -0.65 0.00 0.00 35.03 31.89 1se9 n LYS 99 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1se9 s GLU 100 N 0.91 3.64 0.00 -1.58 -6.30 -1.26 -5.19 118.70 108.92 1se9 s GLU 100 Ca 0.41 -1.60 0.00 0.00 -2.50 0.00 0.00 54.97 51.28 1se9 s GLU 100 Cb 0.05 -5.10 0.00 0.00 0.00 0.00 0.00 34.13 29.08 1se9 s GLU 100 CO 0.00 -1.94 0.00 1.17 0.02 0.00 0.00 175.26 174.52