#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se0 s ASP 40 N 0.00 5.09 0.00 6.41 1.01 -1.26 -4.98 116.67 122.94 1se0 s ASP 40 Ca 0.00 -0.65 0.07 0.00 0.71 0.00 0.00 52.55 52.68 1se0 s ASP 40 Cb 0.00 0.01 0.39 0.00 1.01 0.00 0.00 42.92 44.33 1se0 s ASP 40 CO 0.00 -1.31 0.93 0.18 0.21 0.00 0.00 175.17 175.19 1se0 n LEU 41 N -2.27 0.00 0.16 1.23 4.77 -1.26 -2.23 117.00 117.40 1se0 n LEU 41 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1se0 n LEU 41 Cb 0.61 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.08 1se0 n LEU 41 CO 0.40 0.00 0.87 -1.13 -1.33 0.00 0.00 177.39 176.21 1se0 h ASN 42 N 0.00 0.00 -3.27 -1.43 -0.00 -1.94 -3.43 115.58 105.51 1se0 h ASN 42 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.71 1se0 h ASN 42 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 38.24 1se0 h ASN 42 CO 0.00 0.00 -0.22 -0.13 -0.00 0.00 0.00 177.43 177.08 1se0 s ARG 43 N -3.23 4.25 0.27 6.67 0.52 -0.95 -1.24 118.95 125.24 1se0 s ARG 43 Ca 0.07 0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.56 1se0 s ARG 43 Cb 0.09 -3.40 0.38 0.00 0.52 0.00 0.00 34.95 32.54 1se0 s ARG 43 CO 0.58 0.26 1.92 1.49 0.02 0.00 0.00 175.30 179.57 1se0 h GLU 44 N 6.45 1.19 -0.86 3.54 4.81 -1.44 -1.47 114.58 126.79 1se0 h GLU 44 Ca -0.42 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1se0 h GLU 44 Cb 1.18 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1se0 h GLU 44 CO 0.74 0.78 0.56 1.49 -0.73 0.00 0.00 179.01 181.85 1se0 h GLU 45 N 1.22 1.06 -0.21 1.92 4.81 -1.92 0.51 114.58 121.96 1se0 h GLU 45 Ca 0.38 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 1se0 h GLU 45 Cb -0.01 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1se0 h GLU 45 CO -0.11 0.70 -0.58 1.15 -0.73 0.00 0.00 179.01 179.44 1se0 h THR 46 N 1.10 1.30 -0.62 0.32 2.02 -1.67 -2.83 112.91 112.53 1se0 h THR 46 Ca 0.34 -1.81 -0.09 0.00 0.77 0.00 0.00 66.41 65.62 1se0 h THR 46 Cb -0.02 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1se0 h THR 46 CO -0.11 0.57 0.05 0.03 0.37 0.00 0.00 175.52 176.44 1se0 h ARG 47 N 0.52 1.05 -0.18 6.66 3.08 -0.80 -2.79 114.38 121.92 1se0 h ARG 47 Ca 0.00 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1se0 h ARG 47 Cb 1.16 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1se0 h ARG 47 CO 0.12 0.99 -0.08 1.25 -1.07 0.00 0.00 179.97 181.18 1se0 h LEU 48 N 0.97 0.26 0.00 3.04 5.85 -0.83 -2.04 115.31 122.57 1se0 h LEU 48 Ca 0.18 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1se0 h LEU 48 Cb 0.49 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1se0 h LEU 48 CO 0.02 0.39 0.00 2.29 -0.34 0.00 0.00 178.44 180.80 1se0 n LYS 49 N -4.30 0.16 0.01 1.25 -0.00 -1.06 -2.41 118.16 111.82 1se0 n LYS 49 Ca -0.00 0.05 0.13 0.00 -0.00 0.00 0.00 58.31 58.49 1se0 n LYS 49 Cb 0.24 -1.50 0.52 0.00 -0.00 0.00 0.00 35.03 34.29 1se0 n LYS 49 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1se0 n THR 50 N -1.41 0.07 -0.23 0.58 -2.24 -0.77 -4.02 114.28 106.27 1se0 n THR 50 Ca 0.09 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1se0 n THR 50 Cb 0.26 -0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1se0 n THR 50 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1se0 n PHE 51 N -1.60 0.64 -2.61 4.78 3.01 -1.01 -4.39 117.46 116.29 1se0 n PHE 51 Ca 0.06 -1.18 -0.40 0.00 1.01 0.00 0.00 57.45 56.95 1se0 n PHE 51 Cb 0.35 -0.58 -0.05 0.00 -0.01 0.00 0.00 39.48 39.19 1se0 n PHE 51 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1se0 s THR 52 N -0.87 3.77 -1.25 4.37 -4.23 -1.26 -3.37 115.64 112.81 1se0 s THR 52 Ca 0.13 1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 62.36 1se0 s THR 52 Cb 0.10 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1se0 s THR 52 CO 0.01 0.39 0.25 0.47 -0.54 0.00 0.00 174.62 175.19 1se0 n ASP 53 N 1.21 -4.86 -4.68 3.99 10.43 -1.26 -4.95 116.55 116.43 1se0 n ASP 53 Ca -0.01 -0.12 -0.42 0.00 2.57 0.00 0.00 54.79 56.80 1se0 n ASP 53 Cb 0.46 -3.84 -0.03 0.00 1.84 0.00 0.00 41.12 39.56 1se0 n ASP 53 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1se0 s TRP 54 N -2.91 2.44 -0.10 1.24 -0.00 -1.22 -4.93 118.94 113.46 1se0 s TRP 54 Ca 0.12 0.45 0.25 0.00 -0.00 0.00 0.00 56.10 56.92 1se0 s TRP 54 Cb -0.05 -3.85 0.74 0.00 -0.00 0.00 0.00 33.47 30.31 1se0 s TRP 54 CO 0.15 -3.39 1.75 -1.35 -0.00 0.00 0.00 176.95 174.11 1se0 h PRO 55 N 8.51 0.00 -4.08 5.86 0.11 -1.92 -3.43 132.00 137.04 1se0 h PRO 55 Ca -0.40 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 64.95 1se0 h PRO 55 Cb 1.19 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.04 1se0 h PRO 55 CO 0.93 0.12 -0.21 -0.51 -0.21 0.00 0.00 178.00 178.13 1se0 s LEU 56 N -6.37 6.18 0.51 2.35 1.02 -1.26 -4.92 118.68 116.17 1se0 s LEU 56 Ca 0.03 -1.95 0.22 0.00 0.02 0.00 0.00 54.13 52.45 1se0 s LEU 56 Cb 0.08 -2.17 1.34 0.00 0.02 0.00 0.00 46.19 45.46 1se0 s LEU 56 CO 0.64 -0.79 2.08 0.44 0.02 0.00 0.00 176.35 178.74 1se0 h ASP 57 N 8.63 0.00 0.60 2.29 3.32 -2.04 -2.89 116.42 126.34 1se0 h ASP 57 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1se0 h ASP 57 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1se0 h ASP 57 CO 0.97 0.12 -0.45 -2.67 -1.72 0.00 0.00 179.24 175.48 1se0 n TRP 58 N -3.98 0.06 -3.84 4.55 4.27 -1.26 -4.77 117.44 112.48 1se0 n TRP 58 Ca -0.02 0.02 -0.36 0.00 -3.89 0.00 0.00 57.50 53.25 1se0 n TRP 58 Cb 0.20 -0.33 -0.13 0.00 -1.36 0.00 0.00 31.31 29.70 1se0 n TRP 58 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1se0 s LEU 59 N -3.13 3.21 -0.34 5.67 2.96 -1.09 -5.06 118.68 120.90 1se0 s LEU 59 Ca 0.11 -0.39 -0.28 0.00 -0.22 0.00 0.00 54.13 53.35 1se0 s LEU 59 Cb 0.17 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1se0 s LEU 59 CO 0.68 -0.05 1.88 -0.62 -1.32 0.00 0.00 176.35 176.92 1se0 s ASP 60 N 1.52 5.73 0.43 3.68 -1.08 -1.26 -4.86 116.67 120.82 1se0 s ASP 60 Ca 0.05 1.29 0.11 0.00 -0.52 0.00 0.00 52.55 53.48 1se0 s ASP 60 Cb -0.15 -2.52 0.93 0.00 -1.46 0.00 0.00 42.92 39.71 1se0 s ASP 60 CO -0.00 -1.84 2.01 0.07 0.52 0.00 0.00 175.17 175.92 1se0 h LYS 61 N 13.58 0.23 -0.47 4.34 2.10 -1.96 -1.68 116.57 132.71 1se0 h LYS 61 Ca -0.34 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.19 1se0 h LYS 61 Cb 1.18 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.45 1se0 h LYS 61 CO 1.04 0.27 -0.06 0.00 -2.00 0.00 0.00 179.45 178.70 1se0 h ARG 62 N 0.23 0.87 -0.04 0.07 3.08 -1.96 0.03 114.38 116.65 1se0 h ARG 62 Ca 0.05 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 1se0 h ARG 62 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1se0 h ARG 62 CO 0.01 0.95 -0.66 0.37 -1.07 0.00 0.00 179.97 179.57 1se0 h GLN 63 N 0.72 0.19 -0.17 0.04 4.15 -1.87 -0.52 115.11 117.66 1se0 h GLN 63 Ca 0.13 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1se0 h GLN 63 Cb 0.59 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 1se0 h GLN 63 CO 0.04 0.78 -0.13 -0.07 -1.93 0.00 0.00 178.83 177.51 1se0 h LEU 64 N 0.13 0.40 -0.99 -2.39 3.38 -1.14 -1.92 115.31 112.78 1se0 h LEU 64 Ca -0.01 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1se0 h LEU 64 Cb 1.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1se0 h LEU 64 CO 0.10 0.77 0.15 0.00 0.09 0.00 0.00 178.44 179.55 1se0 h ALA 65 N 0.64 1.18 -0.49 1.53 0.00 -0.93 -0.49 119.26 120.71 1se0 h ALA 65 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1se0 h ALA 65 Cb 0.65 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1se0 h ALA 65 CO 0.03 0.56 0.14 0.37 0.00 0.00 0.00 179.25 180.36 1se0 h GLN 66 N 0.85 0.72 -1.05 0.00 4.15 -1.00 -2.99 115.11 115.79 1se0 h GLN 66 Ca 0.19 -0.13 -0.54 0.00 0.77 0.00 0.00 58.65 58.94 1se0 h GLN 66 Cb 0.29 -0.12 -0.27 0.00 0.21 0.00 0.00 27.48 27.59 1se0 h GLN 66 CO -0.00 0.64 0.69 0.25 -1.93 0.00 0.00 178.83 178.47 1se0 n THR 67 N -4.31 3.22 0.00 2.39 -2.24 -0.73 -4.89 114.28 107.72 1se0 n THR 67 Ca 0.03 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.63 1se0 n THR 67 Cb 0.20 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1se0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1se0 n GLY 68 N -0.85 1.41 3.82 3.38 0.00 -1.13 -4.96 105.19 106.86 1se0 n GLY 68 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 1se0 n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1se0 s MET 69 N -0.61 4.24 0.05 1.61 -1.94 -0.24 -1.31 119.30 121.11 1se0 s MET 69 Ca 0.00 0.89 0.04 0.00 -1.71 0.00 0.00 55.69 54.91 1se0 s MET 69 Cb 0.00 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 1se0 s MET 69 CO 0.00 0.32 -0.11 1.52 -0.01 0.00 0.00 175.02 176.74 1se0 s TYR 70 N -1.65 0.95 -0.01 -0.03 -0.85 -0.44 -3.75 117.35 111.56 1se0 s TYR 70 Ca 0.47 -0.43 -0.30 0.00 -0.52 0.00 0.00 57.07 56.29 1se0 s TYR 70 Cb -0.15 -0.55 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 1se0 s TYR 70 CO 0.20 -0.01 1.07 0.12 -1.52 0.00 0.00 175.55 175.42 1se0 s PHE 71 N -1.15 3.50 -0.87 -3.49 5.36 -1.26 -1.10 117.98 118.97 1se0 s PHE 71 Ca -0.04 1.51 0.27 0.00 -0.96 0.00 0.00 56.93 57.70 1se0 s PHE 71 Cb -0.09 -3.25 0.83 0.00 -0.34 0.00 0.00 43.02 40.17 1se0 s PHE 71 CO 0.01 -0.57 1.69 0.25 -1.46 0.00 0.00 175.22 175.14 1se0 n THR 72 N 4.15 0.21 -1.44 0.12 -2.24 -0.69 -4.87 114.28 109.52 1se0 n THR 72 Ca 0.08 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1se0 n THR 72 Cb 0.49 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 1se0 n THR 72 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1se0 n HIS 73 N -1.80 -0.08 -3.96 4.78 8.25 -1.26 -4.99 115.22 116.16 1se0 n HIS 73 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 1se0 n HIS 73 Cb 0.38 -2.09 -0.15 0.00 1.12 0.00 0.00 29.99 29.24 1se0 n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1se0 s ALA 74 N -2.42 2.33 0.00 -1.41 0.00 -1.26 -5.03 121.76 113.98 1se0 s ALA 74 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1se0 s ALA 74 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1se0 s ALA 74 CO 0.00 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1se0 n GLY 75 N 4.51 3.31 0.62 0.00 0.00 -1.26 -1.90 105.19 110.47 1se0 n GLY 75 Ca -0.05 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.87 1se0 n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1se0 n ASP 76 N 5.87 2.26 -4.71 1.61 5.75 -1.26 -4.80 116.55 121.26 1se0 n ASP 76 Ca 0.00 -3.58 -0.42 0.00 -0.01 0.00 0.00 54.79 50.78 1se0 n ASP 76 Cb 0.00 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 1se0 n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1se0 s LYS 77 N -3.11 4.52 0.22 0.11 1.02 -0.80 -4.56 119.74 117.15 1se0 s LYS 77 Ca 0.38 1.55 0.11 0.00 0.02 0.00 0.00 55.97 58.03 1se0 s LYS 77 Cb 0.35 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 1se0 s LYS 77 CO -0.01 -0.11 -0.20 0.14 -0.92 0.00 0.00 175.35 174.24 1se0 s VAL 78 N 0.98 2.21 -0.00 3.17 -7.23 -0.41 -1.70 120.40 117.42 1se0 s VAL 78 Ca 0.54 -2.17 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1se0 s VAL 78 Cb -0.24 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1se0 s VAL 78 CO 0.29 -0.32 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.93 1se0 s LYS 79 N -3.13 0.61 -0.08 4.82 2.20 -0.26 -1.28 119.74 122.61 1se0 s LYS 79 Ca 0.23 -0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 55.29 1se0 s LYS 79 Cb -0.05 -0.58 -0.03 0.00 -1.51 0.00 0.00 37.83 35.66 1se0 s LYS 79 CO 0.11 0.16 0.78 0.00 -0.36 0.00 0.00 175.35 176.03 1se0 h PHE 81 N 6.91 0.00 0.03 0.00 3.57 -1.54 -0.81 116.94 125.09 1se0 h PHE 81 Ca -0.38 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 60.76 1se0 h PHE 81 Cb 1.19 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1se0 h PHE 81 CO 0.67 0.01 -2.19 1.19 -2.23 0.00 0.00 178.31 175.77 1se0 n PHE 82 N -3.11 0.48 0.17 0.41 3.72 -1.26 -4.62 117.46 113.25 1se0 n PHE 82 Ca 0.01 0.13 0.03 0.00 -0.05 0.00 0.00 57.45 57.57 1se0 n PHE 82 Cb 0.32 -1.07 -0.04 0.00 -0.94 0.00 0.00 39.48 37.74 1se0 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1se0 n GLY 84 N 1.54 0.90 3.77 0.00 0.00 -0.31 -5.01 105.19 106.08 1se0 n GLY 84 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1se0 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1se0 s VAL 85 N -3.62 2.56 -0.13 1.61 0.11 -1.26 -4.58 120.40 115.09 1se0 s VAL 85 Ca 0.00 0.56 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1se0 s VAL 85 Cb 0.00 -3.36 -0.01 0.00 -1.53 0.00 0.00 36.38 31.49 1se0 s VAL 85 CO 0.00 0.13 -0.17 -1.61 -3.33 0.00 0.00 175.10 170.12 1se0 s GLU 86 N -1.80 3.22 -0.05 1.54 2.02 -1.26 -1.12 118.70 121.26 1se0 s GLU 86 Ca 0.50 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1se0 s GLU 86 Cb -0.41 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.30 1se0 s GLU 86 CO 0.55 0.13 -0.10 0.42 0.02 0.00 0.00 175.26 176.28 1se0 s ILE 87 N 0.52 0.92 0.00 -1.63 1.09 -0.41 -4.96 121.20 116.73 1se0 s ILE 87 Ca -0.11 -0.38 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1se0 s ILE 87 Cb -0.16 -0.84 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1se0 s ILE 87 CO 0.04 0.30 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 1se0 n GLY 88 N 3.63 3.47 3.91 6.18 0.00 -1.26 -1.28 105.19 119.84 1se0 n GLY 88 Ca -0.22 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1se0 n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1se0 n SER 89 N -2.25 -1.31 -4.77 1.61 7.64 -1.26 -4.89 113.62 108.38 1se0 n SER 89 Ca 0.00 -0.93 -0.40 0.00 1.01 0.00 0.00 58.87 58.55 1se0 n SER 89 Cb 0.00 -3.39 -0.01 0.00 -1.01 0.00 0.00 64.21 59.80 1se0 n SER 89 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1se0 s TRP 90 N -3.74 2.79 0.10 1.43 0.52 -1.26 -5.04 118.94 113.74 1se0 s TRP 90 Ca 0.15 1.34 0.05 0.00 0.02 0.00 0.00 56.10 57.65 1se0 s TRP 90 Cb -0.08 -3.79 -0.04 0.00 -1.15 0.00 0.00 33.47 28.42 1se0 s TRP 90 CO 0.86 -2.33 0.03 -1.21 0.02 0.00 0.00 176.95 174.33 1se0 s GLU 91 N -2.09 2.65 0.66 4.98 0.41 -1.26 -5.01 118.70 119.03 1se0 s GLU 91 Ca 0.54 -0.83 0.30 0.00 -0.41 0.00 0.00 54.97 54.56 1se0 s GLU 91 Cb -0.41 -2.58 1.60 0.00 -1.78 0.00 0.00 34.13 30.96 1se0 s GLU 91 CO 0.54 0.53 1.91 1.96 -0.49 0.00 0.00 175.26 179.72 1se0 h GLN 92 N 3.23 0.00 0.00 1.61 4.20 -2.01 0.29 115.11 122.43 1se0 h GLN 92 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1se0 h GLN 92 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1se0 h GLN 92 CO 0.61 0.00 -0.42 0.39 -0.67 0.00 0.00 178.83 178.74 1se0 n GLU 93 N -3.00 0.19 -2.44 1.46 4.71 -1.26 -4.92 120.64 115.39 1se0 n GLU 93 Ca -0.01 0.08 -0.39 0.00 -0.01 0.00 0.00 57.16 56.83 1se0 n GLU 93 Cb 0.42 -1.65 -0.04 0.00 -1.01 0.00 0.00 31.44 29.16 1se0 n GLU 93 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1se0 s ASP 94 N -3.88 7.00 0.04 1.62 1.01 0.09 -5.06 116.67 117.50 1se0 s ASP 94 Ca 0.09 2.26 0.07 0.00 0.71 0.00 0.00 52.55 55.67 1se0 s ASP 94 Cb 0.15 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1se0 s ASP 94 CO 0.67 -0.33 -0.16 -1.10 0.21 0.00 0.00 175.17 174.46 1se0 s GLN 95 N -1.84 2.12 0.14 8.23 -1.52 -1.26 -4.94 119.66 120.59 1se0 s GLN 95 Ca 0.50 -0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 52.65 1se0 s GLN 95 Cb -0.30 -2.23 -0.05 0.00 -0.22 0.00 0.00 33.01 30.21 1se0 s GLN 95 CO 0.38 0.54 1.57 -1.35 -0.25 0.00 0.00 175.29 176.19 1se0 h PRO 96 N 4.42 -0.42 -0.03 2.91 0.11 -1.96 -2.17 132.00 134.86 1se0 h PRO 96 Ca -0.48 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1se0 h PRO 96 Cb 1.16 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1se0 h PRO 96 CO 0.49 -0.28 -0.12 0.28 -0.21 0.00 0.00 178.00 178.15 1se0 h VAL 97 N -0.44 1.48 -0.92 3.15 2.07 -1.93 -2.76 116.25 116.90 1se0 h VAL 97 Ca 0.09 -1.59 0.06 0.00 0.82 0.00 0.00 66.70 66.08 1se0 h VAL 97 Cb 0.62 2.44 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 1se0 h VAL 97 CO -0.49 0.43 0.58 -0.65 0.02 0.00 0.00 177.57 177.47 1se0 h PRO 98 N -0.44 1.05 -0.47 1.57 0.11 -1.97 0.31 132.00 132.15 1se0 h PRO 98 Ca -0.01 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.90 1se0 h PRO 98 Cb 0.76 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1se0 h PRO 98 CO 0.03 0.69 -0.25 1.49 -0.21 0.00 0.00 178.00 179.75 1se0 h GLU 99 N 1.08 0.99 -0.33 1.05 4.57 -1.49 0.36 114.58 120.82 1se0 h GLU 99 Ca 0.39 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1se0 h GLU 99 Cb 0.13 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1se0 h GLU 99 CO -0.16 1.12 0.12 1.25 -1.18 0.00 0.00 179.01 180.16 1se0 h HIS 100 N 0.85 0.51 -0.22 0.92 2.76 -1.09 -2.43 115.15 116.45 1se0 h HIS 100 Ca 0.10 -0.04 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 1se0 h HIS 100 Cb 0.83 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1se0 h HIS 100 CO 0.05 0.49 -0.28 0.37 -1.30 0.00 0.00 177.93 177.27 1se0 h GLN 101 N 0.38 0.42 -0.22 5.26 4.15 -0.20 -1.49 115.11 123.42 1se0 h GLN 101 Ca 0.11 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1se0 h GLN 101 Cb 0.21 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1se0 h GLN 101 CO -0.01 0.67 0.14 -0.09 -1.93 0.00 0.00 178.83 177.61 1se0 h ARG 102 N 0.37 0.30 0.00 1.69 2.43 0.08 -2.96 114.38 116.29 1se0 h ARG 102 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1se0 h ARG 102 Cb 0.68 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1se0 h ARG 102 CO 0.05 0.22 -0.82 0.91 -1.51 0.00 0.00 179.97 178.82 1se0 n TRP 103 N -4.92 0.38 -3.25 2.20 7.02 -0.95 -4.60 117.44 113.33 1se0 n TRP 103 Ca -0.03 0.11 -0.23 0.00 -1.02 0.00 0.00 57.50 56.33 1se0 n TRP 103 Cb 0.04 -0.52 -0.08 0.00 -2.42 0.00 0.00 31.31 28.33 1se0 n TRP 103 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1se0 n SER 104 N -2.00 -0.76 0.30 -0.99 2.88 -0.57 -4.99 113.62 107.49 1se0 n SER 104 Ca 0.03 -2.54 0.16 0.00 -1.33 0.00 0.00 58.87 55.18 1se0 n SER 104 Cb 0.43 -0.23 0.91 0.00 -0.75 0.00 0.00 64.21 64.58 1se0 n SER 104 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1se0 h PRO 105 N 5.11 0.00 -0.49 -1.46 0.11 -1.75 -2.99 132.00 130.54 1se0 h PRO 105 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1se0 h PRO 105 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1se0 h PRO 105 CO 0.35 0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.26 1se0 n ASN 106 N -3.66 4.37 -4.68 -2.05 3.02 -1.26 -4.83 115.26 106.17 1se0 n ASN 106 Ca -0.03 -2.59 -0.46 0.00 -0.03 0.00 0.00 54.58 51.48 1se0 n ASN 106 Cb 0.12 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 1se0 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1se0 h PRO 108 N 6.45 0.94 -0.01 0.00 0.11 -1.94 0.69 132.00 138.25 1se0 h PRO 108 Ca -0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1se0 h PRO 108 Cb 1.25 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1se0 h PRO 108 CO 0.90 0.62 -0.00 1.25 -0.21 0.00 0.00 178.00 180.57 1se0 h LEU 109 N 0.97 0.01 -1.09 2.35 5.85 -1.89 -1.04 115.31 120.47 1se0 h LEU 109 Ca 0.42 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1se0 h LEU 109 Cb 0.29 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1se0 h LEU 109 CO -0.21 0.36 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.11 1se0 h LEU 110 N -0.34 0.55 0.00 2.25 3.38 -1.88 -2.34 115.31 116.94 1se0 h LEU 110 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1se0 h LEU 110 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1se0 h LEU 110 CO 0.00 0.66 0.00 0.54 0.09 0.00 0.00 178.44 179.73 1se0 n ARG 111 N -4.23 0.77 -3.40 1.13 5.12 0.21 -4.36 116.66 111.91 1se0 n ARG 111 Ca 0.01 0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.72 1se0 n ARG 111 Cb 0.30 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.16 1se0 n ARG 111 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1se0 n ARG 112 N -1.05 -6.77 -2.74 5.56 1.74 -0.88 -5.02 116.66 107.50 1se0 n ARG 112 Ca 0.19 0.77 -0.22 0.00 -0.77 0.00 0.00 57.85 57.82 1se0 n ARG 112 Cb 0.11 -5.56 0.08 0.00 -1.02 0.00 0.00 32.46 26.07 1se0 n ARG 112 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1se0 s ARG 113 N -6.09 2.02 0.24 5.56 0.52 -0.42 -5.05 118.95 115.73 1se0 s ARG 113 Ca 0.49 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 1se0 s ARG 113 Cb -0.22 -2.46 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 1se0 s ARG 113 CO 0.61 -1.13 1.11 0.99 0.02 0.00 0.00 175.30 176.90 1se0 s THR 114 N -2.92 3.58 0.28 0.02 2.01 -1.26 -4.73 115.64 112.62 1se0 s THR 114 Ca 0.63 1.50 -0.02 0.00 0.31 0.00 0.00 61.69 64.10 1se0 s THR 114 Cb -0.06 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1se0 s THR 114 CO 0.41 0.32 0.35 0.42 -0.69 0.00 0.00 174.62 175.43 1se0 s THR 115 N -0.78 0.00 -0.97 -0.82 -4.23 -1.26 -4.94 115.64 102.63 1se0 s THR 115 Ca 0.47 -1.74 0.13 0.00 -1.18 0.00 0.00 61.69 59.37 1se0 s THR 115 Cb -0.31 -2.49 0.58 0.00 1.34 0.00 0.00 72.50 71.61 1se0 s THR 115 CO 0.39 0.00 1.43 0.59 -0.54 0.00 0.00 174.62 176.49 1se0 n ASN 116 N -0.92 4.02 -4.76 3.99 3.02 -1.26 -4.96 115.26 114.39 1se0 n ASN 116 Ca 0.02 -2.46 -0.39 0.00 -0.03 0.00 0.00 54.58 51.71 1se0 n ASN 116 Cb 0.63 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 1se0 n ASN 116 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1se0 s ASN 117 N -0.73 5.91 -0.32 6.41 2.47 -1.26 -4.73 114.94 122.70 1se0 s ASN 117 Ca 0.40 2.82 0.02 0.00 0.42 0.00 0.00 52.86 56.51 1se0 s ASN 117 Cb 0.27 -2.65 0.10 0.00 -1.45 0.00 0.00 41.25 37.52 1se0 s ASN 117 CO 0.17 -1.14 0.06 -0.69 -3.72 0.00 0.00 177.10 171.78 1se0 s VAL 118 N -1.24 1.57 0.80 -5.21 1.01 -0.37 -4.99 120.40 111.96 1se0 s VAL 118 Ca 0.61 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 1se0 s VAL 118 Cb -0.42 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 33.89 1se0 s VAL 118 CO 0.53 -0.59 1.09 -2.84 0.00 0.00 0.00 175.10 173.28 1se0 s PRO 119 N 1.27 2.09 -0.06 2.72 0.02 -1.26 -1.23 135.00 138.55 1se0 s PRO 119 Ca 0.09 0.79 -0.20 0.00 0.02 0.00 0.00 61.00 61.70 1se0 s PRO 119 Cb -0.18 -1.91 -0.31 0.00 0.02 0.00 0.00 34.50 32.13 1se0 s PRO 119 CO -0.16 -1.66 0.82 0.82 -0.33 0.00 0.00 177.00 176.49 1se0 h ILE 120 N -1.12 1.37 -3.26 2.83 2.04 -1.97 -3.44 117.51 113.97 1se0 h ILE 120 Ca -0.47 -2.52 -0.50 0.00 1.00 0.00 0.00 64.86 62.38 1se0 h ILE 120 Cb 1.26 3.07 -0.40 0.00 -0.74 0.00 0.00 36.82 40.01 1se0 h ILE 120 CO 0.57 0.72 -0.76 0.21 0.00 0.00 0.00 178.15 178.89 1se0 s ASN 121 N -7.04 2.61 0.20 1.72 3.84 -1.26 -5.04 114.94 109.97 1se0 s ASN 121 Ca -0.15 -0.66 -0.11 0.00 0.21 0.00 0.00 52.86 52.16 1se0 s ASN 121 Cb 0.02 -0.55 0.14 0.00 -0.55 0.00 0.00 41.25 40.31 1se0 s ASN 121 CO 0.82 -0.28 1.87 0.00 -2.79 0.00 0.00 177.10 176.72 1se0 h ALA 122 N 8.27 0.92 -0.54 1.71 0.00 -2.00 -2.54 119.26 125.07 1se0 h ALA 122 Ca -0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1se0 h ALA 122 Cb 1.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1se0 h ALA 122 CO 0.32 0.34 0.10 1.49 0.00 0.00 0.00 179.25 181.50 1se0 h GLU 123 N 0.98 0.84 -0.54 0.00 4.57 -1.99 -1.34 114.58 117.09 1se0 h GLU 123 Ca 0.26 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1se0 h GLU 123 Cb -0.10 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 1se0 h GLU 123 CO -0.06 0.78 0.05 0.00 -1.18 0.00 0.00 179.01 178.60 1se0 h ALA 124 N 1.31 1.06 -0.11 2.92 0.00 -1.93 -1.04 119.26 121.46 1se0 h ALA 124 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1se0 h ALA 124 Cb 0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1se0 h ALA 124 CO 0.00 0.60 -0.00 1.25 0.00 0.00 0.00 179.25 181.10 1se0 h LEU 125 N 0.83 0.19 -1.25 0.00 5.85 -1.04 -2.54 115.31 117.36 1se0 h LEU 125 Ca 0.17 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.65 1se0 h LEU 125 Cb 0.43 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1se0 h LEU 125 CO 0.02 0.46 0.55 -0.78 -0.34 0.00 0.00 178.44 178.34 1se0 h ASP 126 N -0.07 0.78 -0.24 1.25 3.58 -1.05 -1.06 116.42 119.62 1se0 h ASP 126 Ca 0.03 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1se0 h ASP 126 Cb 0.36 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1se0 h ASP 126 CO 0.01 0.49 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.75 1se0 h ARG 127 N 0.88 0.55 0.00 0.28 9.65 -0.96 -3.26 114.38 121.52 1se0 h ARG 127 Ca 0.37 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 59.09 1se0 h ARG 127 Cb 0.31 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1se0 h ARG 127 CO -0.14 0.58 -1.57 1.51 2.80 0.00 0.00 179.97 183.15 1se0 n ILE 128 N -4.27 0.49 -2.22 1.20 0.13 -0.69 -4.96 119.36 109.04 1se0 n ILE 128 Ca 0.02 -0.57 -0.37 0.00 -1.10 0.00 0.00 62.75 60.73 1se0 n ILE 128 Cb 0.25 -0.26 -0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1se0 n ILE 128 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1se0 s LEU 129 N -5.07 3.92 0.26 9.51 1.43 -0.49 -4.94 118.68 123.31 1se0 s LEU 129 Ca -0.05 2.31 -0.30 0.00 -1.03 0.00 0.00 54.13 55.06 1se0 s LEU 129 Cb 0.11 -4.35 -0.13 0.00 0.03 0.00 0.00 46.19 41.85 1se0 s LEU 129 CO 0.85 -1.07 1.32 -2.65 0.23 0.00 0.00 176.35 175.03 1se0 n PRO 130 N -0.78 1.91 -1.71 1.29 -0.02 -1.26 -4.91 135.00 129.52 1se0 n PRO 130 Ca 0.09 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.87 1se0 n PRO 130 Cb 0.49 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1se0 n PRO 130 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1se0 n PRO 131 N 1.56 1.14 -1.88 0.52 -0.02 -1.26 -4.91 135.00 130.14 1se0 n PRO 131 Ca 0.10 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 1se0 n PRO 131 Cb 0.32 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1se0 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1se0 s ILE 132 N -1.40 2.28 -0.30 4.25 -1.09 -1.26 -5.01 121.20 118.68 1se0 s ILE 132 Ca 0.81 0.22 -0.23 0.00 -2.23 0.00 0.00 60.65 59.22 1se0 s ILE 132 Cb -0.39 -3.12 0.19 0.00 -1.58 0.00 0.00 42.46 37.56 1se0 s ILE 132 CO 0.42 0.01 1.39 -0.94 -1.23 0.00 0.00 174.94 174.59 1se0 s SER 133 N -0.91 -0.08 -0.43 3.58 1.04 -1.26 -5.12 113.70 110.52 1se0 s SER 133 Ca 0.67 0.15 -0.24 0.00 0.48 0.00 0.00 55.95 57.01 1se0 s SER 133 Cb -0.39 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1se0 s SER 133 CO 0.47 -0.03 0.82 -0.72 0.98 0.00 0.00 173.24 174.77 1se0 s TYR 134 N 0.22 3.01 -2.83 5.02 1.13 -1.26 -5.15 117.35 117.48 1se0 s TYR 134 Ca 0.05 0.33 0.25 0.00 -1.41 0.00 0.00 57.07 56.29 1se0 s TYR 134 Cb -0.05 -3.68 0.49 0.00 -1.10 0.00 0.00 41.96 37.63 1se0 s TYR 134 CO -0.14 -0.95 1.43 -3.47 -2.51 0.00 0.00 175.55 169.90