#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdz n ASP 40 N 0.00 0.00 0.00 6.41 5.68 -1.26 -1.50 116.55 125.88 1sdz n ASP 40 Ca 0.00 0.08 0.13 0.00 -0.50 0.00 0.00 54.79 54.51 1sdz n ASP 40 Cb 0.00 -0.31 0.71 0.00 -1.14 0.00 0.00 41.12 40.38 1sdz n ASP 40 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sdz n LEU 41 N -1.31 0.00 0.22 -2.12 4.77 -1.26 -1.54 117.00 115.76 1sdz n LEU 41 Ca 0.08 0.23 0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1sdz n LEU 41 Cb 0.16 -0.23 0.42 0.00 -2.33 0.00 0.00 43.42 41.44 1sdz n LEU 41 CO 0.15 -0.03 0.89 0.78 -1.33 0.00 0.00 177.39 177.86 1sdz h ASN 42 N 0.00 0.00 -3.40 -1.43 2.35 -1.59 -3.43 115.58 108.09 1sdz h ASN 42 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 1sdz h ASN 42 Cb 0.20 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.48 1sdz h ASN 42 CO 0.00 0.00 -0.10 -0.13 -1.65 0.00 0.00 177.43 175.55 1sdz s ARG 43 N -3.38 4.26 0.31 0.81 0.52 -0.59 -0.53 118.95 120.34 1sdz s ARG 43 Ca 0.05 0.41 0.03 0.00 -0.52 0.00 0.00 55.73 55.70 1sdz s ARG 43 Cb 0.08 -3.50 0.60 0.00 0.52 0.00 0.00 34.95 32.65 1sdz s ARG 43 CO 0.59 0.01 1.87 1.49 0.02 0.00 0.00 175.30 179.28 1sdz h GLU 44 N 7.10 0.92 -0.80 3.54 4.81 -1.50 -0.92 114.58 127.72 1sdz h GLU 44 Ca -0.37 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1sdz h GLU 44 Cb 1.17 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 1sdz h GLU 44 CO 0.75 0.61 0.50 1.49 -0.73 0.00 0.00 179.01 181.62 1sdz h GLU 45 N 0.94 0.91 -0.29 1.92 4.81 -1.90 0.18 114.58 121.15 1sdz h GLU 45 Ca 0.44 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1sdz h GLU 45 Cb 0.42 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1sdz h GLU 45 CO -0.20 0.60 -0.27 1.15 -0.73 0.00 0.00 179.01 179.55 1sdz h THR 46 N 0.94 1.30 -0.59 0.32 2.02 -1.39 -2.86 112.91 112.66 1sdz h THR 46 Ca 0.34 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1sdz h THR 46 Cb 0.10 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1sdz h THR 46 CO -0.14 0.46 0.30 0.03 0.37 0.00 0.00 175.52 176.53 1sdz h ARG 47 N 0.44 0.84 -0.97 6.66 3.08 -0.80 -2.46 114.38 121.17 1sdz h ARG 47 Ca 0.05 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 60.10 1sdz h ARG 47 Cb 0.84 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.66 1sdz h ARG 47 CO 0.07 0.67 0.62 1.25 -1.07 0.00 0.00 179.97 181.51 1sdz h LEU 48 N 0.80 0.89 -2.25 3.04 5.85 -0.60 -1.43 115.31 121.60 1sdz h LEU 48 Ca 0.20 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1sdz h LEU 48 Cb 0.10 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1sdz h LEU 48 CO -0.03 0.49 -0.04 0.11 -0.34 0.00 0.00 178.44 178.63 1sdz h LYS 49 N 0.96 0.00 0.00 1.25 6.56 -1.20 -2.25 116.57 121.89 1sdz h LYS 49 Ca 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1sdz h LYS 49 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1sdz h LYS 49 CO -0.23 0.04 0.00 0.25 -2.06 0.00 0.00 179.45 177.45 1sdz n THR 50 N -3.33 0.10 -0.52 -0.16 -2.24 -0.54 -3.94 114.28 103.65 1sdz n THR 50 Ca -0.02 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1sdz n THR 50 Cb 0.18 -0.55 0.03 0.00 -2.10 0.00 0.00 70.33 67.89 1sdz n THR 50 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1sdz n PHE 51 N -1.44 0.99 -2.91 4.78 3.01 -0.85 -4.41 117.46 116.63 1sdz n PHE 51 Ca 0.09 -1.47 -0.39 0.00 1.01 0.00 0.00 57.45 56.68 1sdz n PHE 51 Cb 0.29 -0.72 -0.06 0.00 -0.01 0.00 0.00 39.48 38.98 1sdz n PHE 51 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1sdz s THR 52 N -1.39 4.30 -1.29 4.37 -4.23 -1.25 -3.46 115.64 112.68 1sdz s THR 52 Ca 0.20 1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 62.43 1sdz s THR 52 Cb 0.16 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1sdz s THR 52 CO 0.01 0.42 0.42 0.47 -0.54 0.00 0.00 174.62 175.40 1sdz n ASP 53 N 1.29 -5.23 -4.66 3.99 10.43 -1.26 -4.94 116.55 116.18 1sdz n ASP 53 Ca -0.03 -0.20 -0.43 0.00 2.57 0.00 0.00 54.79 56.70 1sdz n ASP 53 Cb 0.49 -4.11 -0.02 0.00 1.84 0.00 0.00 41.12 39.31 1sdz n ASP 53 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1sdz s TRP 54 N -3.03 2.64 -0.86 1.24 -0.00 -1.22 -4.93 118.94 112.78 1sdz s TRP 54 Ca 0.21 0.81 0.22 0.00 -0.00 0.00 0.00 56.10 57.34 1sdz s TRP 54 Cb -0.09 -3.60 0.91 0.00 -0.00 0.00 0.00 33.47 30.68 1sdz s TRP 54 CO 0.26 -2.22 1.70 -0.35 -0.00 0.00 0.00 176.95 176.34 1sdz n PRO 55 N 6.74 0.08 -3.48 5.86 -0.04 -1.26 -4.65 135.00 138.25 1sdz n PRO 55 Ca 0.15 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 1sdz n PRO 55 Cb 0.44 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 1sdz n PRO 55 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sdz s LEU 56 N -3.53 5.95 0.47 1.53 1.02 -1.26 -4.93 118.68 117.94 1sdz s LEU 56 Ca 0.09 -2.19 0.17 0.00 0.02 0.00 0.00 54.13 52.22 1sdz s LEU 56 Cb 0.13 -2.07 1.11 0.00 0.02 0.00 0.00 46.19 45.38 1sdz s LEU 56 CO 0.42 -0.66 2.02 0.44 0.02 0.00 0.00 176.35 178.60 1sdz h ASP 57 N 8.19 0.00 0.97 2.29 3.32 -2.04 -2.81 116.42 126.35 1sdz h ASP 57 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1sdz h ASP 57 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1sdz h ASP 57 CO 0.85 0.15 -0.35 -2.67 -1.72 0.00 0.00 179.24 175.51 1sdz n TRP 58 N -4.24 0.46 -3.69 4.55 4.27 -1.26 -4.73 117.44 112.79 1sdz n TRP 58 Ca -0.02 0.13 -0.38 0.00 -3.89 0.00 0.00 57.50 53.34 1sdz n TRP 58 Cb 0.23 -0.63 -0.12 0.00 -1.36 0.00 0.00 31.31 29.43 1sdz n TRP 58 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 1sdz s LEU 59 N -3.89 4.05 -0.36 5.67 2.96 -1.06 -5.04 118.68 121.02 1sdz s LEU 59 Ca 0.09 -0.63 -0.27 0.00 -0.22 0.00 0.00 54.13 53.10 1sdz s LEU 59 Cb 0.15 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 1sdz s LEU 59 CO 0.66 -0.21 2.30 -0.62 -1.32 0.00 0.00 176.35 177.16 1sdz s ASP 60 N 1.56 4.97 0.53 3.68 -1.08 -1.26 -4.85 116.67 120.21 1sdz s ASP 60 Ca 0.04 1.47 0.28 0.00 -0.52 0.00 0.00 52.55 53.82 1sdz s ASP 60 Cb -0.17 -2.51 1.46 0.00 -1.46 0.00 0.00 42.92 40.25 1sdz s ASP 60 CO 0.05 -2.40 2.07 0.07 0.52 0.00 0.00 175.17 175.48 1sdz h LYS 61 N 17.19 0.00 -0.29 4.34 2.10 -1.95 -2.19 116.57 135.77 1sdz h LYS 61 Ca -0.33 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.18 1sdz h LYS 61 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1sdz h LYS 61 CO 1.06 0.11 -0.36 0.00 -2.00 0.00 0.00 179.45 178.26 1sdz h ARG 62 N 0.00 0.76 -0.05 0.07 3.08 -1.96 -1.21 114.38 115.07 1sdz h ARG 62 Ca -0.00 -0.43 -0.15 0.00 0.07 0.00 0.00 59.98 59.47 1sdz h ARG 62 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1sdz h ARG 62 CO 0.01 1.05 -0.66 0.37 -1.07 0.00 0.00 179.97 179.68 1sdz h GLN 63 N 0.51 0.20 -0.02 0.04 4.15 -1.87 -0.64 115.11 117.48 1sdz h GLN 63 Ca 0.04 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1sdz h GLN 63 Cb 0.95 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 1sdz h GLN 63 CO 0.09 0.79 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.70 1sdz h LEU 64 N 0.14 0.03 -0.84 -2.39 3.38 -1.35 -1.66 115.31 112.62 1sdz h LEU 64 Ca -0.01 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1sdz h LEU 64 Cb 1.19 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1sdz h LEU 64 CO 0.10 0.36 0.49 0.00 0.09 0.00 0.00 178.44 179.48 1sdz h ALA 65 N 0.67 1.07 -0.70 1.53 0.00 -1.17 -0.78 119.26 119.88 1sdz h ALA 65 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1sdz h ALA 65 Cb 0.35 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1sdz h ALA 65 CO 0.00 0.55 0.46 0.37 0.00 0.00 0.00 179.25 180.63 1sdz h GLN 66 N 1.16 0.86 -1.05 0.00 4.15 -1.02 -2.83 115.11 116.38 1sdz h GLN 66 Ca 0.30 -0.05 -0.54 0.00 0.77 0.00 0.00 58.65 59.13 1sdz h GLN 66 Cb -0.02 -0.19 -0.27 0.00 0.21 0.00 0.00 27.48 27.20 1sdz h GLN 66 CO -0.05 0.57 0.69 0.25 -1.93 0.00 0.00 178.83 178.36 1sdz n THR 67 N -4.44 3.22 0.00 2.39 -2.24 -0.63 -4.88 114.28 107.69 1sdz n THR 67 Ca 0.08 -2.18 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1sdz n THR 67 Cb 0.08 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1sdz n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sdz n GLY 68 N -0.84 1.44 3.84 3.38 0.00 -1.07 -4.96 105.19 106.98 1sdz n GLY 68 Ca 0.55 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 1sdz n GLY 68 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sdz s MET 69 N -0.67 4.10 0.07 1.61 -1.94 -0.36 -1.04 119.30 121.07 1sdz s MET 69 Ca 0.00 0.76 0.03 0.00 -1.71 0.00 0.00 55.69 54.77 1sdz s MET 69 Cb 0.00 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 1sdz s MET 69 CO 0.00 0.23 -0.10 1.52 -0.01 0.00 0.00 175.02 176.67 1sdz s TYR 70 N -1.83 0.89 -0.03 -0.03 -0.85 -0.78 -3.69 117.35 111.03 1sdz s TYR 70 Ca 0.51 -0.57 -0.28 0.00 -0.52 0.00 0.00 57.07 56.21 1sdz s TYR 70 Cb -0.12 -0.51 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 1sdz s TYR 70 CO 0.19 -0.04 0.91 0.12 -1.52 0.00 0.00 175.55 175.21 1sdz s PHE 71 N -1.82 3.61 -1.05 -3.49 5.36 -1.26 -1.60 117.98 117.74 1sdz s PHE 71 Ca -0.03 1.56 0.26 0.00 -0.96 0.00 0.00 56.93 57.77 1sdz s PHE 71 Cb -0.07 -3.05 0.71 0.00 -0.34 0.00 0.00 43.02 40.27 1sdz s PHE 71 CO 0.00 -0.02 1.56 0.25 -1.46 0.00 0.00 175.22 175.55 1sdz n THR 72 N 3.98 0.00 -1.72 0.12 -2.24 -0.99 -4.89 114.28 108.55 1sdz n THR 72 Ca 0.05 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1sdz n THR 72 Cb 0.51 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1sdz n THR 72 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1sdz n HIS 73 N -1.45 -0.24 -3.96 4.78 8.25 -1.26 -4.98 115.22 116.35 1sdz n HIS 73 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.22 1sdz n HIS 73 Cb 0.33 -2.65 -0.15 0.00 1.12 0.00 0.00 29.99 28.64 1sdz n HIS 73 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sdz s ALA 74 N -2.58 2.42 0.00 -1.41 0.00 -1.26 -5.02 121.76 113.91 1sdz s ALA 74 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 51.96 49.92 1sdz s ALA 74 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1sdz s ALA 74 CO 0.00 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1sdz n GLY 75 N 4.47 3.21 0.28 0.00 0.00 -1.26 -2.35 105.19 109.54 1sdz n GLY 75 Ca -0.03 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1sdz n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sdz n ASP 76 N 6.78 1.93 -4.75 1.61 5.75 -1.26 -4.82 116.55 121.79 1sdz n ASP 76 Ca 0.00 -3.12 -0.40 0.00 -0.01 0.00 0.00 54.79 51.26 1sdz n ASP 76 Cb 0.00 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 39.62 1sdz n ASP 76 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1sdz s LYS 77 N -2.57 4.53 0.32 0.11 0.00 -0.99 -4.57 119.74 116.58 1sdz s LYS 77 Ca 0.30 1.13 0.10 0.00 0.00 0.00 0.00 55.97 57.50 1sdz s LYS 77 Cb 0.28 -3.35 -0.06 0.00 0.00 0.00 0.00 37.83 34.70 1sdz s LYS 77 CO -0.00 0.31 -0.07 0.14 0.00 0.00 0.00 175.35 175.73 1sdz s VAL 78 N -0.19 2.51 -0.01 1.79 -7.23 -0.45 -2.33 120.40 114.49 1sdz s VAL 78 Ca 0.39 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 1sdz s VAL 78 Cb -0.21 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1sdz s VAL 78 CO 0.24 -0.25 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.01 1sdz s LYS 79 N -3.63 0.24 -0.02 4.82 2.20 -0.63 -1.41 119.74 121.31 1sdz s LYS 79 Ca 0.33 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 1sdz s LYS 79 Cb -0.01 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 35.98 1sdz s LYS 79 CO 0.17 -0.02 1.05 0.00 -0.36 0.00 0.00 175.35 176.20 1sdz n PHE 81 N 4.35 0.64 -0.09 0.00 7.35 -0.21 -1.12 117.46 128.38 1sdz n PHE 81 Ca 0.08 0.23 -0.09 0.00 -0.76 0.00 0.00 57.45 56.90 1sdz n PHE 81 Cb 0.49 -0.87 -0.14 0.00 0.35 0.00 0.00 39.48 39.32 1sdz n PHE 81 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1sdz n PHE 82 N -2.06 0.00 0.01 -5.13 3.72 -1.26 -4.66 117.46 108.07 1sdz n PHE 82 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1sdz n PHE 82 Cb 0.28 -0.87 -0.00 0.00 -0.94 0.00 0.00 39.48 37.96 1sdz n PHE 82 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sdz n GLY 84 N 1.50 1.06 3.77 0.00 0.00 -0.28 -5.01 105.19 106.23 1sdz n GLY 84 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1sdz n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sdz s VAL 85 N -3.90 2.15 -0.14 1.61 0.11 -1.26 -4.59 120.40 114.38 1sdz s VAL 85 Ca 0.00 0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1sdz s VAL 85 Cb 0.00 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1sdz s VAL 85 CO 0.00 0.02 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.99 1sdz s GLU 86 N -2.44 3.13 -0.05 1.54 2.02 -1.26 -1.41 118.70 120.23 1sdz s GLU 86 Ca 0.61 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.82 1sdz s GLU 86 Cb -0.43 -2.51 0.01 0.00 0.10 0.00 0.00 34.13 31.30 1sdz s GLU 86 CO 0.55 0.03 -0.11 0.42 0.02 0.00 0.00 175.26 176.17 1sdz s ILE 87 N 0.74 0.99 0.00 -1.63 1.01 -0.50 -4.97 121.20 116.84 1sdz s ILE 87 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1sdz s ILE 87 Cb -0.16 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1sdz s ILE 87 CO 0.01 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1sdz n GLY 88 N 3.67 4.26 3.91 6.18 0.00 -1.26 -1.34 105.19 120.61 1sdz n GLY 88 Ca -0.22 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 1sdz n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sdz n SER 89 N -1.16 -1.25 -4.76 1.61 7.64 -1.26 -4.88 113.62 109.55 1sdz n SER 89 Ca 0.00 -0.94 -0.41 0.00 1.01 0.00 0.00 58.87 58.53 1sdz n SER 89 Cb 0.00 -3.35 -0.02 0.00 -1.01 0.00 0.00 64.21 59.83 1sdz n SER 89 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1sdz s TRP 90 N -3.76 2.96 -0.03 1.43 0.52 -1.26 -5.03 118.94 113.78 1sdz s TRP 90 Ca 0.14 1.15 -0.01 0.00 0.02 0.00 0.00 56.10 57.41 1sdz s TRP 90 Cb -0.07 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.39 1sdz s TRP 90 CO 0.87 -2.50 0.04 -1.21 0.02 0.00 0.00 176.95 174.16 1sdz s GLU 91 N -1.04 2.98 0.60 4.98 0.41 -1.26 -5.00 118.70 120.37 1sdz s GLU 91 Ca 0.55 -0.49 0.29 0.00 -0.41 0.00 0.00 54.97 54.91 1sdz s GLU 91 Cb -0.42 -2.80 1.50 0.00 -1.78 0.00 0.00 34.13 30.63 1sdz s GLU 91 CO 0.49 0.66 1.90 1.96 -0.49 0.00 0.00 175.26 179.78 1sdz h GLN 92 N 4.47 0.00 0.00 1.61 4.20 -2.01 0.26 115.11 123.65 1sdz h GLN 92 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1sdz h GLN 92 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1sdz h GLN 92 CO 0.59 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.90 1sdz n GLU 93 N -3.57 0.06 -2.80 1.46 0.00 -1.26 -4.85 120.64 109.68 1sdz n GLU 93 Ca 0.06 0.04 -0.38 0.00 0.00 0.00 0.00 57.16 56.88 1sdz n GLU 93 Cb 0.60 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.48 1sdz n GLU 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1sdz s ASP 94 N -2.93 7.39 0.08 -1.84 1.01 0.91 -5.08 116.67 116.21 1sdz s ASP 94 Ca 0.15 1.83 0.08 0.00 0.71 0.00 0.00 52.55 55.32 1sdz s ASP 94 Cb 0.18 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1sdz s ASP 94 CO 0.48 -0.00 -0.18 -1.10 0.21 0.00 0.00 175.17 174.58 1sdz s GLN 95 N -1.82 1.93 0.13 8.23 -1.52 -1.26 -4.92 119.66 120.42 1sdz s GLN 95 Ca 0.47 -1.08 -0.29 0.00 -1.95 0.00 0.00 55.36 52.51 1sdz s GLN 95 Cb -0.20 -2.16 -0.06 0.00 -0.22 0.00 0.00 33.01 30.37 1sdz s GLN 95 CO 0.25 0.51 1.59 -1.35 -0.25 0.00 0.00 175.29 176.04 1sdz h PRO 96 N 4.11 -0.50 0.05 2.91 0.11 -1.96 -2.34 132.00 134.39 1sdz h PRO 96 Ca -0.49 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sdz h PRO 96 Cb 1.16 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sdz h PRO 96 CO 0.47 -0.33 -0.02 0.28 -0.21 0.00 0.00 178.00 178.18 1sdz h VAL 97 N -0.52 1.29 -0.85 3.15 2.07 -1.93 -2.79 116.25 116.68 1sdz h VAL 97 Ca 0.06 -1.24 0.06 0.00 0.82 0.00 0.00 66.70 66.40 1sdz h VAL 97 Cb 0.63 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 1sdz h VAL 97 CO -0.35 0.31 0.53 -0.65 0.02 0.00 0.00 177.57 177.42 1sdz h PRO 98 N -0.63 0.94 -0.67 1.57 0.11 -1.97 0.98 132.00 132.33 1sdz h PRO 98 Ca -0.01 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1sdz h PRO 98 Cb 0.55 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 1sdz h PRO 98 CO 0.01 0.62 0.13 1.49 -0.21 0.00 0.00 178.00 180.04 1sdz h GLU 99 N 0.97 1.08 -0.19 1.05 4.57 -1.52 0.18 114.58 120.73 1sdz h GLU 99 Ca 0.37 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1sdz h GLU 99 Cb 0.15 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1sdz h GLU 99 CO -0.17 0.98 0.06 1.25 -1.18 0.00 0.00 179.01 179.95 1sdz h HIS 100 N 1.02 0.30 -0.26 0.92 2.76 -1.09 -2.76 115.15 116.04 1sdz h HIS 100 Ca 0.21 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.27 1sdz h HIS 100 Cb 0.40 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 1sdz h HIS 100 CO 0.03 0.39 -0.18 0.37 -1.30 0.00 0.00 177.93 177.23 1sdz h GLN 101 N 0.13 0.46 -0.41 5.26 4.15 -0.54 -0.75 115.11 123.40 1sdz h GLN 101 Ca 0.06 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.37 1sdz h GLN 101 Cb 0.23 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1sdz h GLN 101 CO -0.00 0.63 0.20 -0.09 -1.93 0.00 0.00 178.83 177.64 1sdz h ARG 102 N 0.42 0.39 0.00 1.69 2.43 -0.41 -1.25 114.38 117.66 1sdz h ARG 102 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1sdz h ARG 102 Cb 0.56 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1sdz h ARG 102 CO 0.04 0.26 -1.03 0.91 -1.51 0.00 0.00 179.97 178.64 1sdz n TRP 103 N -4.93 0.52 -3.15 2.20 7.02 -1.06 -4.53 117.44 113.51 1sdz n TRP 103 Ca 0.02 0.15 -0.20 0.00 -1.02 0.00 0.00 57.50 56.46 1sdz n TRP 103 Cb 0.11 -0.65 -0.04 0.00 -2.42 0.00 0.00 31.31 28.32 1sdz n TRP 103 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1sdz n SER 104 N -2.24 0.23 0.32 -0.99 2.88 -0.30 -4.96 113.62 108.56 1sdz n SER 104 Ca 0.01 -2.93 0.18 0.00 -1.33 0.00 0.00 58.87 54.80 1sdz n SER 104 Cb 0.48 -0.39 0.96 0.00 -0.75 0.00 0.00 64.21 64.52 1sdz n SER 104 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1sdz h PRO 105 N 3.45 0.00 -0.53 -1.46 0.13 -1.43 -1.85 132.00 130.31 1sdz h PRO 105 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1sdz h PRO 105 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1sdz h PRO 105 CO 0.46 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.52 1sdz n ASN 106 N -3.07 4.80 -4.71 1.44 2.85 -1.26 -4.77 115.26 110.55 1sdz n ASN 106 Ca -0.02 -2.69 -0.43 0.00 -0.11 0.00 0.00 54.58 51.33 1sdz n ASN 106 Cb 0.27 -0.58 -0.03 0.00 1.24 0.00 0.00 39.78 40.68 1sdz n ASN 106 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sdz h PRO 108 N 6.39 1.07 0.26 0.00 0.11 -1.92 0.60 132.00 138.51 1sdz h PRO 108 Ca -0.44 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1sdz h PRO 108 Cb 1.22 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1sdz h PRO 108 CO 0.93 0.71 -0.13 1.25 -0.21 0.00 0.00 178.00 180.55 1sdz h LEU 109 N 1.11 -0.30 -0.78 2.35 5.85 -1.90 -1.86 115.31 119.78 1sdz h LEU 109 Ca 0.46 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 1sdz h LEU 109 Cb 0.30 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1sdz h LEU 109 CO -0.21 -0.03 0.11 -0.07 -0.34 0.00 0.00 178.44 177.90 1sdz h LEU 110 N -0.57 0.99 0.00 2.25 3.38 -1.88 -2.44 115.31 117.04 1sdz h LEU 110 Ca -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sdz h LEU 110 Cb 0.42 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1sdz h LEU 110 CO 0.06 0.98 0.00 0.54 0.09 0.00 0.00 178.44 180.11 1sdz n ARG 111 N -4.22 0.37 -3.16 1.13 5.12 0.18 -4.37 116.66 111.71 1sdz n ARG 111 Ca 0.04 0.07 -0.20 0.00 -1.93 0.00 0.00 57.85 55.83 1sdz n ARG 111 Cb 0.28 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.13 1sdz n ARG 111 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1sdz n ARG 112 N -1.14 -5.48 -3.55 5.56 1.74 -0.92 -5.00 116.66 107.87 1sdz n ARG 112 Ca 0.10 0.76 -0.20 0.00 -0.77 0.00 0.00 57.85 57.74 1sdz n ARG 112 Cb 0.09 -5.42 -0.01 0.00 -1.02 0.00 0.00 32.46 26.09 1sdz n ARG 112 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1sdz s ARG 113 N -5.82 2.94 0.55 5.56 1.70 -0.72 -5.07 118.95 118.09 1sdz s ARG 113 Ca 0.38 -1.15 -0.21 0.00 -0.47 0.00 0.00 55.73 54.27 1sdz s ARG 113 Cb -0.17 -2.68 -0.05 0.00 -0.57 0.00 0.00 34.95 31.48 1sdz s ARG 113 CO 0.46 0.03 1.27 2.41 -1.08 0.00 0.00 175.30 178.40 1sdz n THR 114 N -1.57 3.73 -3.96 4.99 -1.04 -1.26 -4.60 114.28 110.57 1sdz n THR 114 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 1sdz n THR 114 Cb 0.59 -1.54 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 1sdz n THR 114 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sdz s THR 115 N -1.32 0.00 -1.64 12.58 -4.23 -1.26 -4.89 115.64 114.87 1sdz s THR 115 Ca 0.72 -1.30 0.13 0.00 -1.18 0.00 0.00 61.69 60.06 1sdz s THR 115 Cb -0.43 -2.39 0.43 0.00 1.34 0.00 0.00 72.50 71.45 1sdz s THR 115 CO 0.49 0.00 1.32 0.59 -0.54 0.00 0.00 174.62 176.49 1sdz n ASN 116 N -0.80 2.82 -4.76 3.99 4.13 -1.26 -4.95 115.26 114.43 1sdz n ASN 116 Ca -0.03 -2.14 -0.41 0.00 1.68 0.00 0.00 54.58 53.68 1sdz n ASN 116 Cb 0.61 -0.38 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 1sdz n ASN 116 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1sdz s ASN 117 N -0.87 6.39 -0.35 6.41 2.47 -1.26 -4.73 114.94 123.00 1sdz s ASN 117 Ca 0.32 2.96 0.04 0.00 0.42 0.00 0.00 52.86 56.60 1sdz s ASN 117 Cb 0.18 -2.65 0.10 0.00 -1.45 0.00 0.00 41.25 37.44 1sdz s ASN 117 CO 0.18 -0.87 0.06 -0.69 -3.72 0.00 0.00 177.10 172.06 1sdz s VAL 118 N -0.46 2.24 0.88 -5.21 1.01 0.31 -4.98 120.40 114.19 1sdz s VAL 118 Ca 0.59 -2.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.08 1sdz s VAL 118 Cb -0.47 -2.66 0.12 0.00 0.00 0.00 0.00 36.38 33.37 1sdz s VAL 118 CO 0.54 -0.61 1.12 -2.16 0.00 0.00 0.00 175.10 173.99 1sdz s PRO 119 N 0.86 1.41 -0.05 2.72 0.04 -1.26 -1.39 135.00 137.33 1sdz s PRO 119 Ca 0.11 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.39 1sdz s PRO 119 Cb -0.19 -1.86 -0.31 0.00 0.04 0.00 0.00 34.50 32.18 1sdz s PRO 119 CO -0.08 -2.04 0.75 0.82 0.04 0.00 0.00 177.00 176.49 1sdz h ILE 120 N -1.38 1.17 -3.07 0.56 2.04 -1.97 -3.44 117.51 111.41 1sdz h ILE 120 Ca -0.50 -2.52 -0.49 0.00 1.00 0.00 0.00 64.86 62.36 1sdz h ILE 120 Cb 1.31 2.91 -0.41 0.00 -0.74 0.00 0.00 36.82 39.90 1sdz h ILE 120 CO 0.61 0.77 -0.76 0.21 0.00 0.00 0.00 178.15 178.98 1sdz s ASN 121 N -7.20 2.73 0.20 1.72 3.84 -1.26 -5.04 114.94 109.93 1sdz s ASN 121 Ca -0.15 -0.81 -0.10 0.00 0.21 0.00 0.00 52.86 52.01 1sdz s ASN 121 Cb 0.04 -0.37 0.24 0.00 -0.55 0.00 0.00 41.25 40.61 1sdz s ASN 121 CO 0.84 -0.36 1.77 0.00 -2.79 0.00 0.00 177.10 176.56 1sdz h ALA 122 N 8.36 0.79 -0.76 1.71 0.00 -2.00 -2.22 119.26 125.14 1sdz h ALA 122 Ca -0.16 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1sdz h ALA 122 Cb 1.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1sdz h ALA 122 CO 0.33 -0.11 0.41 1.49 0.00 0.00 0.00 179.25 181.37 1sdz h GLU 123 N 0.50 1.06 -0.47 0.00 4.57 -1.99 -0.36 114.58 117.89 1sdz h GLU 123 Ca 0.29 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1sdz h GLU 123 Cb 0.28 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1sdz h GLU 123 CO -0.24 0.78 -0.04 0.00 -1.18 0.00 0.00 179.01 178.33 1sdz h ALA 124 N 1.39 1.05 -0.06 2.92 0.00 -1.85 -1.34 119.26 121.36 1sdz h ALA 124 Ca 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sdz h ALA 124 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1sdz h ALA 124 CO -0.04 0.59 0.01 1.25 0.00 0.00 0.00 179.25 181.06 1sdz h LEU 125 N 0.74 0.10 -0.75 0.00 5.85 -0.92 -2.69 115.31 117.64 1sdz h LEU 125 Ca 0.14 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.69 1sdz h LEU 125 Cb 0.51 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 1sdz h LEU 125 CO 0.03 0.34 0.38 -0.78 -0.34 0.00 0.00 178.44 178.07 1sdz h ASP 126 N -0.14 0.49 -0.66 1.25 3.58 -0.84 -0.87 116.42 119.23 1sdz h ASP 126 Ca 0.02 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.56 1sdz h ASP 126 Cb 0.28 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 1sdz h ASP 126 CO 0.00 0.27 0.44 -0.09 -2.88 0.00 0.00 179.24 176.98 1sdz h ARG 127 N 0.63 0.79 0.00 0.28 9.65 -1.10 -3.20 114.38 121.43 1sdz h ARG 127 Ca 0.37 -0.05 -0.26 0.00 -1.10 0.00 0.00 59.98 58.95 1sdz h ARG 127 Cb 0.41 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.77 1sdz h ARG 127 CO -0.28 0.52 -1.79 1.51 2.80 0.00 0.00 179.97 182.73 1sdz n ILE 128 N -4.46 1.36 -1.80 1.20 0.13 -0.64 -4.95 119.36 110.20 1sdz n ILE 128 Ca 0.08 -0.77 -0.38 0.00 -1.10 0.00 0.00 62.75 60.58 1sdz n ILE 128 Cb 0.11 -0.77 0.04 0.00 -0.84 0.00 0.00 39.64 38.19 1sdz n ILE 128 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1sdz s LEU 129 N -5.79 3.80 0.40 9.51 1.43 -0.43 -4.91 118.68 122.70 1sdz s LEU 129 Ca -0.05 2.71 -0.26 0.00 -1.03 0.00 0.00 54.13 55.50 1sdz s LEU 129 Cb 0.08 -4.34 -0.11 0.00 0.03 0.00 0.00 46.19 41.85 1sdz s LEU 129 CO 0.83 -1.62 1.17 -2.65 0.23 0.00 0.00 176.35 174.30 1sdz n PRO 130 N -1.17 1.72 -1.77 1.29 -0.02 -1.26 -4.92 135.00 128.87 1sdz n PRO 130 Ca 0.11 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 1sdz n PRO 130 Cb 0.46 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.78 1sdz n PRO 130 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sdz s PRO 131 N -2.06 2.59 0.13 0.52 0.02 -1.26 -4.87 135.00 130.07 1sdz s PRO 131 Ca 0.61 2.04 -0.31 0.00 0.02 0.00 0.00 61.00 63.35 1sdz s PRO 131 Cb -0.55 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.02 1sdz s PRO 131 CO 0.58 -1.56 1.81 -1.50 -0.33 0.00 0.00 177.00 176.00 1sdz s ILE 132 N -1.42 2.48 -0.20 2.83 -1.16 -1.26 -4.96 121.20 117.51 1sdz s ILE 132 Ca 0.82 0.06 -0.05 0.00 -0.51 0.00 0.00 60.65 60.97 1sdz s ILE 132 Cb -0.37 -3.04 0.10 0.00 0.61 0.00 0.00 42.46 39.77 1sdz s ILE 132 CO 0.39 0.00 0.38 -0.94 -2.81 0.00 0.00 174.94 171.96 1sdz s SER 133 N 2.51 0.00 -0.51 4.50 1.04 -1.26 -5.11 113.70 114.87 1sdz s SER 133 Ca 0.80 0.68 -0.28 0.00 0.48 0.00 0.00 55.95 57.62 1sdz s SER 133 Cb -0.46 1.18 0.01 0.00 0.10 0.00 0.00 66.02 66.85 1sdz s SER 133 CO 0.36 -0.26 1.40 -0.72 0.98 0.00 0.00 173.24 175.00 1sdz s TYR 134 N 2.56 2.35 -2.31 5.02 -0.00 -1.26 -5.15 117.35 118.56 1sdz s TYR 134 Ca 0.04 0.55 0.30 0.00 -0.00 0.00 0.00 57.07 57.95 1sdz s TYR 134 Cb -0.13 -4.37 1.37 0.00 -0.00 0.00 0.00 41.96 38.83 1sdz s TYR 134 CO -0.13 -1.93 1.93 -0.25 -0.00 0.00 0.00 175.55 175.16