#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv9 s GLU 2 N 0.00 1.57 0.05 1.61 2.12 -1.13 -5.00 118.70 117.92 1iv9 s GLU 2 Ca 0.00 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.96 1iv9 s GLU 2 Cb 0.00 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 1iv9 s GLU 2 CO 0.00 0.12 -0.24 -1.58 -0.54 0.00 0.00 175.26 173.03 1iv9 s TRP 3 N 0.34 2.06 0.12 5.30 0.52 -1.26 -0.35 118.94 125.67 1iv9 s TRP 3 Ca -0.08 -0.39 -0.13 0.00 0.02 0.00 0.00 56.10 55.52 1iv9 s TRP 3 Cb -0.13 -1.22 0.02 0.00 -1.15 0.00 0.00 33.47 30.99 1iv9 s TRP 3 CO 0.02 0.12 0.32 -1.83 0.02 0.00 0.00 176.95 175.61 1iv9 s GLU 4 N -1.26 1.03 -0.11 4.98 -1.05 -0.50 -4.99 118.70 116.80 1iv9 s GLU 4 Ca 0.10 -0.87 -0.13 0.00 -0.15 0.00 0.00 54.97 53.92 1iv9 s GLU 4 Cb -0.09 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 1iv9 s GLU 4 CO 0.02 -0.38 0.29 0.42 0.95 0.00 0.00 175.26 176.56 1iv9 s ILE 5 N -3.85 5.27 0.22 1.83 1.01 -1.26 -0.84 121.20 123.58 1iv9 s ILE 5 Ca 0.06 0.55 0.12 0.00 0.00 0.00 0.00 60.65 61.38 1iv9 s ILE 5 Cb 0.03 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1iv9 s ILE 5 CO -0.09 0.49 -0.23 0.27 0.00 0.00 0.00 174.94 175.38 1iv9 s ILE 6 N -0.27 2.39 0.00 2.92 -4.36 -0.89 -4.96 121.20 116.02 1iv9 s ILE 6 Ca 0.18 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 1iv9 s ILE 6 Cb -0.14 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.40 1iv9 s ILE 6 CO 0.06 -0.21 0.00 -0.67 0.24 0.00 0.00 174.94 174.37 1iv9 n ASP 7 N -0.01 0.00 -2.09 4.36 2.03 -1.26 -3.83 116.55 115.75 1iv9 n ASP 7 Ca -0.10 -0.89 -0.25 0.00 0.52 0.00 0.00 54.79 54.07 1iv9 n ASP 7 Cb 0.57 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.00 1iv9 n ASP 7 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1iv9 n ILE 8 N -1.64 2.63 -0.65 5.18 -5.35 -1.26 -4.70 119.36 113.57 1iv9 n ILE 8 Ca 0.00 -4.15 -0.12 0.00 -0.27 0.00 0.00 62.75 58.21 1iv9 n ILE 8 Cb 0.00 -1.15 0.10 0.00 -1.74 0.00 0.00 39.64 36.85 1iv9 n ILE 8 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1iv9 n GLY 9 N -0.71 -2.72 0.35 3.28 0.00 -1.26 -4.52 105.19 99.61 1iv9 n GLY 9 Ca 0.45 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 45.09 1iv9 n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iv9 h PRO 10 N 0.00 0.77 -0.59 1.61 0.13 -1.98 0.15 132.00 132.09 1iv9 h PRO 10 Ca -0.17 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1iv9 h PRO 10 Cb 0.51 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1iv9 h PRO 10 CO 0.11 0.51 0.38 0.35 -0.23 0.00 0.00 178.00 179.11 1iv9 h PHE 11 N 0.79 0.71 -0.15 1.56 3.57 -1.96 -0.15 116.94 121.31 1iv9 h PHE 11 Ca 0.30 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 1iv9 h PHE 11 Cb 0.19 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1iv9 h PHE 11 CO -0.00 0.43 -0.55 1.15 -2.23 0.00 0.00 178.31 177.11 1iv9 h THR 12 N 0.75 1.34 -0.21 4.41 2.02 -1.36 -2.13 112.91 117.74 1iv9 h THR 12 Ca 0.22 -1.81 -0.10 0.00 0.77 0.00 0.00 66.41 65.49 1iv9 h THR 12 Cb -0.04 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1iv9 h THR 12 CO -0.07 0.56 -0.29 1.56 0.37 0.00 0.00 175.52 177.64 1iv9 h GLN 13 N 0.35 0.42 0.00 6.66 1.08 -0.53 -2.30 115.11 120.79 1iv9 h GLN 13 Ca 0.01 -0.17 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 1iv9 h GLN 13 Cb 1.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1iv9 h GLN 13 CO 0.10 0.68 -0.41 -0.91 -0.95 0.00 0.00 178.83 177.33 1iv9 h ASN 14 N 0.37 0.00 -0.50 1.46 2.35 -0.75 -0.53 115.58 117.97 1iv9 h ASN 14 Ca 0.05 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1iv9 h ASN 14 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1iv9 h ASN 14 CO 0.05 0.41 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.08 1iv9 h LEU 15 N 0.00 0.95 -0.26 1.61 3.38 -0.91 -1.07 115.31 119.01 1iv9 h LEU 15 Ca -0.00 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1iv9 h LEU 15 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1iv9 h LEU 15 CO 0.05 1.08 0.15 1.23 0.09 0.00 0.00 178.44 181.04 1iv9 h GLY 16 N 0.81 0.36 1.09 0.83 0.00 -0.83 -1.09 103.07 104.24 1iv9 h GLY 16 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1iv9 h GLY 16 CO 0.04 0.10 0.31 1.70 0.00 0.00 0.00 176.54 178.69 1iv9 h LYS 17 N 0.31 1.15 -0.61 4.80 3.64 -0.96 -1.06 116.57 123.84 1iv9 h LYS 17 Ca 0.10 -0.21 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1iv9 h LYS 17 Cb -0.00 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.56 1iv9 h LYS 17 CO -0.05 0.93 0.26 0.35 -2.27 0.00 0.00 179.45 178.67 1iv9 h PHE 18 N 1.12 0.46 -0.47 1.91 3.57 -0.92 -1.19 116.94 121.42 1iv9 h PHE 18 Ca 0.26 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 1iv9 h PHE 18 Cb 0.21 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1iv9 h PHE 18 CO 0.02 0.15 -0.10 0.00 -2.23 0.00 0.00 178.31 176.14 1iv9 h ALA 19 N 1.40 0.64 -0.37 2.41 0.00 0.03 -1.18 119.26 122.19 1iv9 h ALA 19 Ca 0.30 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1iv9 h ALA 19 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1iv9 h ALA 19 CO -0.27 0.54 -0.18 0.28 0.00 0.00 0.00 179.25 179.61 1iv9 h VAL 20 N 0.74 1.28 -0.56 0.00 2.07 -1.03 -0.14 116.25 118.62 1iv9 h VAL 20 Ca 0.12 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.35 1iv9 h VAL 20 Cb 0.65 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1iv9 h VAL 20 CO 0.04 0.43 0.33 0.44 0.02 0.00 0.00 177.57 178.84 1iv9 h ASP 21 N 0.57 0.54 -0.17 0.57 3.32 -1.03 -0.11 116.42 120.12 1iv9 h ASP 21 Ca 0.08 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1iv9 h ASP 21 Cb 0.73 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1iv9 h ASP 21 CO 0.06 0.38 0.09 -0.33 -1.72 0.00 0.00 179.24 177.71 1iv9 h GLU 22 N 0.66 0.23 -0.53 3.56 4.39 -1.09 -2.96 114.58 118.85 1iv9 h GLU 22 Ca 0.23 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1iv9 h GLU 22 Cb 0.03 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1iv9 h GLU 22 CO -0.10 0.24 0.23 1.49 -1.16 0.00 0.00 179.01 179.70 1iv9 h GLU 23 N 0.17 0.75 0.00 2.33 4.57 -0.54 -1.64 114.58 120.23 1iv9 h GLU 23 Ca 0.06 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1iv9 h GLU 23 Cb 0.07 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1iv9 h GLU 23 CO -0.01 0.61 -0.02 -0.91 -1.18 0.00 0.00 179.01 177.49 1iv9 h ASN 24 N 0.75 0.00 0.80 1.04 2.35 -0.87 -0.82 115.58 118.83 1iv9 h ASN 24 Ca 0.18 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1iv9 h ASN 24 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1iv9 h ASN 24 CO -0.02 0.02 -0.37 0.11 -1.65 0.00 0.00 177.43 175.52 1iv9 h LYS 25 N 0.00 0.00 0.13 0.81 1.57 -1.15 -3.27 116.57 114.66 1iv9 h LYS 25 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1iv9 h LYS 25 Cb 0.19 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.52 1iv9 h LYS 25 CO 0.00 0.37 -0.88 0.82 -0.57 0.00 0.00 179.45 179.20 1iv9 h ILE 26 N 0.00 1.44 -0.07 1.86 2.04 -1.21 -3.48 117.51 118.09 1iv9 h ILE 26 Ca -0.00 -2.50 -0.03 0.00 1.00 0.00 0.00 64.86 63.32 1iv9 h ILE 26 Cb 0.87 3.12 -0.01 0.00 -0.74 0.00 0.00 36.82 40.06 1iv9 h ILE 26 CO 0.05 0.70 -0.03 0.61 0.00 0.00 0.00 178.15 179.48 1iv9 n GLY 27 N 1.67 0.52 0.13 5.37 0.00 -1.12 -4.92 105.19 106.85 1iv9 n GLY 27 Ca -0.16 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1iv9 n GLY 27 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1iv9 h GLN 28 N 0.23 0.25 -6.41 1.61 4.20 -1.92 -3.43 115.11 109.64 1iv9 h GLN 28 Ca -0.03 -0.30 -0.53 0.00 0.06 0.00 0.00 58.65 57.85 1iv9 h GLN 28 Cb 0.13 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1iv9 h GLN 28 CO 0.05 1.03 -0.18 0.71 -0.67 0.00 0.00 178.83 179.76 1iv9 s TYR 29 N -3.13 3.47 0.91 2.96 2.02 -1.26 -5.08 117.35 117.24 1iv9 s TYR 29 Ca -0.04 0.63 -0.11 0.00 -0.37 0.00 0.00 57.07 57.18 1iv9 s TYR 29 Cb 0.09 -2.08 0.11 0.00 -0.40 0.00 0.00 41.96 39.68 1iv9 s TYR 29 CO 0.84 0.25 0.97 0.41 -1.57 0.00 0.00 175.55 176.45 1iv9 n GLY 30 N -0.65 -0.75 3.62 0.71 0.00 -1.26 -4.83 105.19 102.03 1iv9 n GLY 30 Ca -0.02 -0.70 -0.49 0.00 0.00 0.00 0.00 46.02 44.82 1iv9 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1iv9 n ARG 31 N -3.50 1.50 -4.86 1.61 0.63 -1.26 -4.95 116.66 105.83 1iv9 n ARG 31 Ca 0.11 0.54 -0.33 0.00 -0.92 0.00 0.00 57.85 57.25 1iv9 n ARG 31 Cb 0.52 -2.17 -0.13 0.00 0.45 0.00 0.00 32.46 31.13 1iv9 n ARG 31 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1iv9 s LEU 32 N 0.56 2.73 -0.27 6.15 1.43 -1.26 -4.94 118.68 123.08 1iv9 s LEU 32 Ca 0.77 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.58 1iv9 s LEU 32 Cb -0.82 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1iv9 s LEU 32 CO 0.47 0.30 0.06 -0.89 0.23 0.00 0.00 176.35 176.52 1iv9 s THR 33 N -0.45 4.03 0.16 5.49 2.01 -1.26 -4.90 115.64 120.72 1iv9 s THR 33 Ca 0.06 -0.46 -0.33 0.00 0.31 0.00 0.00 61.69 61.27 1iv9 s THR 33 Cb -0.12 -2.97 -0.13 0.00 0.01 0.00 0.00 72.50 69.29 1iv9 s THR 33 CO 0.02 0.23 1.66 0.33 -0.69 0.00 0.00 174.62 176.17 1iv9 n PHE 34 N 4.88 2.46 -0.03 4.92 -0.00 -1.26 -0.31 117.46 128.13 1iv9 n PHE 34 Ca -0.16 0.14 -0.04 0.00 -0.00 0.00 0.00 57.45 57.40 1iv9 n PHE 34 Cb 0.50 -2.61 -0.01 0.00 -0.00 0.00 0.00 39.48 37.36 1iv9 n PHE 34 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1iv9 n ASN 35 N 3.96 1.04 -3.56 -2.13 5.03 -0.27 -4.88 115.26 114.45 1iv9 n ASN 35 Ca 0.17 0.17 -0.06 0.00 0.87 0.00 0.00 54.58 55.72 1iv9 n ASN 35 Cb 0.31 -0.50 -0.03 0.00 -1.02 0.00 0.00 39.78 38.55 1iv9 n ASN 35 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1iv9 s LYS 36 N -2.00 0.51 0.02 3.52 2.20 -1.06 -5.01 119.74 117.91 1iv9 s LYS 36 Ca -0.12 -0.14 -0.14 0.00 -0.36 0.00 0.00 55.97 55.22 1iv9 s LYS 36 Cb 0.02 0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 36.51 1iv9 s LYS 36 CO 0.17 -0.21 0.41 0.08 -0.36 0.00 0.00 175.35 175.44 1iv9 s VAL 37 N -2.41 5.04 0.37 4.02 1.01 -1.26 -1.72 120.40 125.45 1iv9 s VAL 37 Ca 0.06 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.88 1iv9 s VAL 37 Cb -0.01 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1iv9 s VAL 37 CO -0.06 0.51 0.03 0.27 0.00 0.00 0.00 175.10 175.85 1iv9 s ILE 38 N -1.16 2.39 0.60 2.22 -4.36 -0.96 -4.96 121.20 114.98 1iv9 s ILE 38 Ca 0.26 -1.96 -0.17 0.00 -0.26 0.00 0.00 60.65 58.52 1iv9 s ILE 38 Cb -0.16 -2.85 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 1iv9 s ILE 38 CO 0.14 -0.12 1.10 -0.13 0.24 0.00 0.00 174.94 176.17 1iv9 s ARG 39 N -3.73 3.11 0.22 0.37 0.52 -1.26 -4.37 118.95 113.80 1iv9 s ARG 39 Ca 0.36 1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 56.98 1iv9 s ARG 39 Cb 0.03 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1iv9 s ARG 39 CO 0.19 -1.01 0.42 -1.25 0.02 0.00 0.00 175.30 173.67 1iv9 s PRO 40 N -3.80 3.54 -0.14 3.54 0.04 -1.26 -4.87 135.00 132.05 1iv9 s PRO 40 Ca 0.68 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.45 1iv9 s PRO 40 Cb -0.21 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1iv9 s PRO 40 CO 0.35 0.37 -0.15 0.00 0.04 0.00 0.00 177.00 177.60 1iv9 s MET 42 N 0.56 2.88 -0.11 0.00 -1.94 -0.77 -2.10 119.30 117.82 1iv9 s MET 42 Ca -0.09 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 1iv9 s MET 42 Cb -0.16 -2.73 0.02 0.00 2.01 0.00 0.00 34.83 33.97 1iv9 s MET 42 CO 0.04 0.65 -0.13 0.21 -0.01 0.00 0.00 175.02 175.78 1iv9 s LYS 43 N -1.33 2.03 -0.11 2.03 2.20 -0.02 -0.99 119.74 123.56 1iv9 s LYS 43 Ca 0.18 -0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1iv9 s LYS 43 Cb -0.11 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.39 1iv9 s LYS 43 CO 0.08 -0.11 -0.07 0.21 -0.36 0.00 0.00 175.35 175.10 1iv9 s LYS 44 N 1.13 3.18 -0.22 4.03 2.20 -0.09 -1.41 119.74 128.55 1iv9 s LYS 44 Ca -0.04 -0.56 -0.09 0.00 -0.36 0.00 0.00 55.97 54.92 1iv9 s LYS 44 Cb -0.14 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1iv9 s LYS 44 CO -0.03 0.44 0.11 0.99 -0.36 0.00 0.00 175.35 176.50 1iv9 s THR 45 N -0.20 4.93 -0.22 3.43 2.01 0.52 -1.28 115.64 124.83 1iv9 s THR 45 Ca 0.03 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 1iv9 s THR 45 Cb -0.13 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1iv9 s THR 45 CO 0.03 0.38 0.08 -0.63 -0.69 0.00 0.00 174.62 173.79 1iv9 s ILE 46 N 0.97 4.64 0.05 1.82 1.01 -0.22 -2.82 121.20 126.65 1iv9 s ILE 46 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1iv9 s ILE 46 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1iv9 s ILE 46 CO 0.03 0.38 0.21 -0.31 0.00 0.00 0.00 174.94 175.25 1iv9 s TYR 47 N 1.09 3.52 0.59 3.97 1.51 -1.26 -0.32 117.35 126.45 1iv9 s TYR 47 Ca 0.05 0.26 -0.19 0.00 -1.01 0.00 0.00 57.07 56.17 1iv9 s TYR 47 Cb -0.14 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1iv9 s TYR 47 CO 0.03 0.59 1.16 0.39 -1.11 0.00 0.00 175.55 176.61 1iv9 n GLU 48 N 0.35 1.17 -0.10 -0.62 -0.58 0.39 -4.72 120.64 116.52 1iv9 n GLU 48 Ca -0.06 0.45 -0.08 0.00 -0.42 0.00 0.00 57.16 57.05 1iv9 n GLU 48 Cb 0.51 -2.36 -0.00 0.00 -0.57 0.00 0.00 31.44 29.01 1iv9 n GLU 48 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1iv9 h GLU 49 N 0.77 0.40 -6.22 3.49 4.81 -1.98 -3.42 114.58 112.44 1iv9 h GLU 49 Ca -0.50 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.04 1iv9 h GLU 49 Cb 1.34 -0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 1iv9 h GLU 49 CO 0.53 0.27 -0.67 1.21 -0.73 0.00 0.00 179.01 179.62 1iv9 s ASN 50 N -5.47 4.86 0.00 1.04 2.47 -1.26 -5.01 114.94 111.57 1iv9 s ASN 50 Ca -0.13 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.07 1iv9 s ASN 50 Cb 0.10 -1.20 0.00 0.00 -1.45 0.00 0.00 41.25 38.70 1iv9 s ASN 50 CO 0.71 0.28 0.00 0.61 -3.72 0.00 0.00 177.10 174.99 1iv9 n GLY 51 N 1.50 2.08 3.15 1.21 0.00 -1.26 -4.87 105.19 107.00 1iv9 n GLY 51 Ca -0.15 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 1iv9 n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iv9 s PHE 52 N -1.81 3.03 -1.32 1.61 5.36 -1.26 -4.72 117.98 118.87 1iv9 s PHE 52 Ca 0.00 -1.74 -0.06 0.00 -0.96 0.00 0.00 56.93 54.17 1iv9 s PHE 52 Cb 0.00 -1.99 0.04 0.00 -0.34 0.00 0.00 43.02 40.72 1iv9 s PHE 52 CO 0.00 -0.78 0.40 0.54 -1.46 0.00 0.00 175.22 173.92 1iv9 n ARG 53 N 4.61 -3.47 -2.94 10.12 1.74 -1.26 -4.94 116.66 120.52 1iv9 n ARG 53 Ca -0.17 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 1iv9 n ARG 53 Cb 0.47 -5.35 -0.05 0.00 -1.02 0.00 0.00 32.46 26.51 1iv9 n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1iv9 s GLU 54 N -5.69 3.94 0.01 5.56 0.41 -1.26 -5.01 118.70 116.66 1iv9 s GLU 54 Ca 0.27 0.56 -0.30 0.00 -0.41 0.00 0.00 54.97 55.09 1iv9 s GLU 54 Cb -0.14 -3.74 -0.04 0.00 -1.78 0.00 0.00 34.13 28.43 1iv9 s GLU 54 CO 0.34 -0.71 1.17 0.42 -0.49 0.00 0.00 175.26 175.99 1iv9 s ILE 55 N 2.99 4.23 -0.13 -1.63 1.01 -1.26 -0.47 121.20 125.94 1iv9 s ILE 55 Ca 0.32 1.58 -0.08 0.00 0.00 0.00 0.00 60.65 62.48 1iv9 s ILE 55 Cb -0.14 -4.02 -0.25 0.00 0.01 0.00 0.00 42.46 38.06 1iv9 s ILE 55 CO 0.13 0.08 0.33 1.17 0.00 0.00 0.00 174.94 176.65 1iv9 n LYS 56 N 4.41 0.74 -3.15 2.79 4.81 0.57 -4.77 118.16 123.56 1iv9 n LYS 56 Ca 0.09 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1iv9 n LYS 56 Cb 0.47 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1iv9 n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iv9 n GLY 57 N 1.95 -1.29 3.28 3.14 0.00 -1.06 -2.18 105.19 109.03 1iv9 n GLY 57 Ca -0.33 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 1iv9 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iv9 s TYR 58 N -2.72 1.38 0.01 1.61 1.51 -0.12 -1.05 117.35 117.97 1iv9 s TYR 58 Ca 0.00 -0.92 0.02 0.00 -1.01 0.00 0.00 57.07 55.15 1iv9 s TYR 58 Cb 0.00 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1iv9 s TYR 58 CO 0.00 -0.07 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.31 1iv9 s GLU 59 N -3.86 0.44 -0.05 -0.62 2.12 -0.40 -1.14 118.70 115.20 1iv9 s GLU 59 Ca 0.24 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.30 1iv9 s GLU 59 Cb 0.05 -0.38 -0.00 0.00 0.26 0.00 0.00 34.13 34.06 1iv9 s GLU 59 CO 0.05 0.10 -0.18 0.71 -0.54 0.00 0.00 175.26 175.40 1iv9 s TYR 60 N -0.42 1.86 -0.24 5.30 1.51 0.11 -0.92 117.35 124.56 1iv9 s TYR 60 Ca -0.01 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1iv9 s TYR 60 Cb -0.04 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 1iv9 s TYR 60 CO -0.00 -0.21 -0.02 -0.65 -1.11 0.00 0.00 175.55 173.56 1iv9 s GLN 61 N 0.11 3.21 0.16 -0.62 -0.21 -0.16 -0.69 119.66 121.46 1iv9 s GLN 61 Ca -0.06 -0.75 0.10 0.00 0.02 0.00 0.00 55.36 54.67 1iv9 s GLN 61 Cb -0.13 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.75 1iv9 s GLN 61 CO 0.03 -0.29 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.22 1iv9 s LEU 62 N 1.45 2.69 -0.27 2.90 1.02 0.26 -1.84 118.68 124.90 1iv9 s LEU 62 Ca 0.04 -0.67 -0.06 0.00 0.02 0.00 0.00 54.13 53.46 1iv9 s LEU 62 Cb -0.15 -1.45 -0.00 0.00 0.02 0.00 0.00 46.19 44.60 1iv9 s LEU 62 CO -0.02 0.14 0.05 -0.31 0.02 0.00 0.00 176.35 176.22 1iv9 s TYR 63 N -1.48 3.09 -0.07 0.29 2.02 -1.26 -1.13 117.35 118.81 1iv9 s TYR 63 Ca 0.21 -0.87 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 1iv9 s TYR 63 Cb -0.09 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1iv9 s TYR 63 CO 0.11 -0.53 -0.11 0.08 -1.57 0.00 0.00 175.55 173.54 1iv9 s VAL 64 N 1.51 1.08 -0.13 0.71 1.01 0.80 -2.25 120.40 123.13 1iv9 s VAL 64 Ca 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1iv9 s VAL 64 Cb -0.16 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1iv9 s VAL 64 CO 0.01 0.35 0.67 -0.31 0.00 0.00 0.00 175.10 175.82 1iv9 s TYR 65 N 0.82 3.48 -0.08 5.22 1.51 -0.70 0.48 117.35 128.08 1iv9 s TYR 65 Ca -0.12 1.11 -0.05 0.00 -1.01 0.00 0.00 57.07 57.00 1iv9 s TYR 65 Cb -0.15 -2.81 0.03 0.00 -0.11 0.00 0.00 41.96 38.92 1iv9 s TYR 65 CO 0.02 -0.04 0.20 0.00 -1.11 0.00 0.00 175.55 174.63 1iv9 s ALA 66 N 1.34 -0.46 -1.58 3.71 0.00 -0.69 -1.11 121.76 122.97 1iv9 s ALA 66 Ca 0.34 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 1iv9 s ALA 66 Cb -0.17 -0.47 0.09 0.00 0.00 0.00 0.00 23.12 22.57 1iv9 s ALA 66 CO 0.14 -0.15 0.65 0.43 0.00 0.00 0.00 175.76 176.83 1iv9 n SER 67 N 3.73 -2.21 -1.00 0.00 7.64 0.57 -1.90 113.62 120.45 1iv9 n SER 67 Ca -0.21 -1.00 -0.13 0.00 1.01 0.00 0.00 58.87 58.55 1iv9 n SER 67 Cb 0.55 -2.93 -0.06 0.00 -1.01 0.00 0.00 64.21 60.77 1iv9 n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1iv9 n ASP 68 N -2.80 -5.15 -4.27 6.43 10.43 -1.26 -4.98 116.55 114.95 1iv9 n ASP 68 Ca -0.08 0.32 -0.18 0.00 2.57 0.00 0.00 54.79 57.42 1iv9 n ASP 68 Cb 0.57 -3.80 -0.11 0.00 1.84 0.00 0.00 41.12 39.63 1iv9 n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1iv9 s LYS 69 N -3.01 1.12 -0.22 -1.24 1.02 -0.80 -5.11 119.74 111.50 1iv9 s LYS 69 Ca 0.00 -1.37 -0.08 0.00 0.02 0.00 0.00 55.97 54.54 1iv9 s LYS 69 Cb 0.00 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1iv9 s LYS 69 CO 0.00 0.17 0.09 -1.17 -0.92 0.00 0.00 175.35 173.52 1iv9 s LEU 70 N -2.78 3.80 0.30 3.17 0.20 -1.26 -1.70 118.68 120.42 1iv9 s LEU 70 Ca 0.14 0.01 0.07 0.00 0.69 0.00 0.00 54.13 55.04 1iv9 s LEU 70 Cb -0.03 -1.99 -0.06 0.00 -0.43 0.00 0.00 46.19 43.68 1iv9 s LEU 70 CO 0.04 0.09 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.77 1iv9 s PHE 71 N 0.89 2.08 -0.14 5.38 0.40 0.18 -0.65 117.98 126.11 1iv9 s PHE 71 Ca 0.05 -0.67 -0.01 0.00 -0.60 0.00 0.00 56.93 55.69 1iv9 s PHE 71 Cb -0.13 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1iv9 s PHE 71 CO 0.03 0.34 -0.10 1.03 0.70 0.00 0.00 175.22 177.21 1iv9 s ARG 72 N -3.71 3.45 -0.02 0.44 1.81 -0.12 -0.14 118.95 120.66 1iv9 s ARG 72 Ca 0.31 -0.64 0.05 0.00 -1.72 0.00 0.00 55.73 53.73 1iv9 s ARG 72 Cb 0.04 -2.73 -0.01 0.00 -0.45 0.00 0.00 34.95 31.80 1iv9 s ARG 72 CO 0.13 0.19 -0.17 0.00 -0.68 0.00 0.00 175.30 174.77 1iv9 s ALA 73 N 0.45 1.42 -0.10 2.13 0.00 -0.29 -1.37 121.76 124.00 1iv9 s ALA 73 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1iv9 s ALA 73 Cb -0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1iv9 s ALA 73 CO 0.04 0.33 -0.12 -0.51 0.00 0.00 0.00 175.76 175.50 1iv9 s ASP 74 N -0.31 4.14 -0.02 0.00 -0.00 -0.22 -0.57 116.67 119.70 1iv9 s ASP 74 Ca 0.04 -0.23 0.04 0.00 -0.00 0.00 0.00 52.55 52.40 1iv9 s ASP 74 Cb -0.07 -1.31 -0.01 0.00 -0.00 0.00 0.00 42.92 41.53 1iv9 s ASP 74 CO -0.00 0.25 -0.14 -0.63 -0.00 0.00 0.00 175.17 174.64 1iv9 s ILE 75 N -0.15 1.17 0.09 0.77 1.01 0.14 -0.64 121.20 123.59 1iv9 s ILE 75 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1iv9 s ILE 75 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1iv9 s ILE 75 CO 0.03 0.34 0.12 -0.94 0.00 0.00 0.00 174.94 174.49 1iv9 s SER 76 N -0.16 5.75 -0.04 3.58 1.04 -0.09 0.09 113.70 123.87 1iv9 s SER 76 Ca 0.02 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.48 1iv9 s SER 76 Cb -0.08 -1.61 0.03 0.00 0.10 0.00 0.00 66.02 64.47 1iv9 s SER 76 CO 0.00 0.16 0.04 -0.70 0.98 0.00 0.00 173.24 173.72 1iv9 s GLU 77 N -2.53 0.08 0.24 4.02 2.12 -0.29 -1.49 118.70 120.85 1iv9 s GLU 77 Ca 0.31 0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.64 1iv9 s GLU 77 Cb -0.12 -0.58 -0.09 0.00 0.26 0.00 0.00 34.13 33.59 1iv9 s GLU 77 CO 0.24 -0.30 1.28 0.34 -0.54 0.00 0.00 175.26 176.27 1iv9 s ASP 78 N 2.00 6.93 0.18 -1.70 2.15 -0.48 -0.94 116.67 124.80 1iv9 s ASP 78 Ca 0.03 2.44 -0.05 0.00 0.43 0.00 0.00 52.55 55.41 1iv9 s ASP 78 Cb -0.12 -2.62 0.08 0.00 -0.30 0.00 0.00 42.92 39.96 1iv9 s ASP 78 CO -0.03 -0.47 1.50 0.22 -0.17 0.00 0.00 175.17 176.22 1iv9 h TYR 79 N 4.69 0.81 -0.09 -5.34 3.20 -1.76 0.46 116.97 118.94 1iv9 h TYR 79 Ca -0.46 -0.27 -0.10 0.00 3.14 0.00 0.00 58.73 61.04 1iv9 h TYR 79 Cb 1.22 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1iv9 h TYR 79 CO 0.60 1.02 -0.35 0.87 -1.64 0.00 0.00 178.16 178.66 1iv9 h LYS 80 N 0.51 0.39 -0.00 1.82 1.57 -1.89 -3.36 116.57 115.60 1iv9 h LYS 80 Ca 0.02 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1iv9 h LYS 80 Cb 1.06 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1iv9 h LYS 80 CO 0.10 0.94 -0.43 0.25 -0.57 0.00 0.00 179.45 179.74 1iv9 n THR 81 N -4.39 0.00 -2.15 -0.16 -2.24 -1.25 -5.01 114.28 99.08 1iv9 n THR 81 Ca -0.08 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.24 1iv9 n THR 81 Cb 0.51 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 1iv9 n THR 81 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iv9 n ARG 82 N -0.96 -1.34 -2.43 -0.78 5.12 0.15 -4.99 116.66 111.42 1iv9 n ARG 82 Ca 0.03 0.90 -0.35 0.00 -1.93 0.00 0.00 57.85 56.49 1iv9 n ARG 82 Cb 0.19 -5.31 -0.02 0.00 -1.16 0.00 0.00 32.46 26.16 1iv9 n ARG 82 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1iv9 s GLY 83 N -2.35 2.64 0.15 -0.13 0.00 -1.26 -4.73 107.32 101.64 1iv9 s GLY 83 Ca 0.00 0.74 0.11 0.00 0.00 0.00 0.00 44.72 45.56 1iv9 s GLY 83 CO 0.00 1.12 -0.24 0.50 0.00 0.00 0.00 173.10 174.47 1iv9 s ARG 84 N -2.97 1.51 -0.00 2.90 0.52 -1.26 -1.38 118.95 118.28 1iv9 s ARG 84 Ca 0.65 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1iv9 s ARG 84 Cb -0.22 -1.93 0.01 0.00 0.52 0.00 0.00 34.95 33.33 1iv9 s ARG 84 CO 0.26 0.44 0.00 0.15 0.02 0.00 0.00 175.30 176.17 1iv9 s LYS 85 N -2.25 0.02 -0.16 3.54 1.02 -0.56 -4.99 119.74 116.36 1iv9 s LYS 85 Ca 0.17 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 1iv9 s LYS 85 Cb -0.10 -0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.13 1iv9 s LYS 85 CO 0.08 -0.03 1.09 -1.17 -0.92 0.00 0.00 175.35 174.40 1iv9 s LEU 86 N 0.20 4.18 -0.13 3.17 2.96 -1.26 -0.91 118.68 126.89 1iv9 s LEU 86 Ca -0.02 1.53 -0.13 0.00 -0.22 0.00 0.00 54.13 55.29 1iv9 s LEU 86 Cb -0.03 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.87 1iv9 s LEU 86 CO -0.01 -0.61 0.40 -0.07 -1.32 0.00 0.00 176.35 174.75 1iv9 h LEU 87 N 8.93 0.32 -7.23 -0.68 3.38 -1.23 -3.48 115.31 115.32 1iv9 h LEU 87 Ca -0.26 -0.82 -0.06 0.00 0.09 0.00 0.00 57.88 56.84 1iv9 h LEU 87 Cb 1.10 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 1iv9 h LEU 87 CO 0.93 1.70 0.03 -0.13 0.09 0.00 0.00 178.44 181.05 1iv9 s ARG 88 N -2.49 1.06 -0.22 1.13 0.52 -1.19 -4.97 118.95 112.79 1iv9 s ARG 88 Ca -0.23 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1iv9 s ARG 88 Cb 0.06 0.48 0.11 0.00 0.52 0.00 0.00 34.95 36.12 1iv9 s ARG 88 CO 0.73 -0.40 0.38 0.12 0.02 0.00 0.00 175.30 176.15 1iv9 s PHE 89 N -2.81 -0.77 0.05 -0.53 2.19 -1.26 -1.05 117.98 113.80 1iv9 s PHE 89 Ca -0.03 1.04 0.02 0.00 0.33 0.00 0.00 56.93 58.28 1iv9 s PHE 89 Cb -0.00 0.09 -0.03 0.00 -1.31 0.00 0.00 43.02 41.77 1iv9 s PHE 89 CO -0.05 -0.62 -0.06 -0.80 1.83 0.00 0.00 175.22 175.52 1iv9 s ASN 90 N 2.55 0.81 0.00 6.13 0.01 -0.47 -4.99 114.94 118.99 1iv9 s ASN 90 Ca 0.07 -0.69 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 1iv9 s ASN 90 Cb -0.14 0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.59 1iv9 s ASN 90 CO -0.14 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 1iv9 n GLY 91 N 1.00 0.11 3.75 0.66 0.00 -1.26 -0.95 105.19 108.51 1iv9 n GLY 91 Ca -0.20 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1iv9 n GLY 91 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iv9 s PRO 92 N -2.00 2.76 0.32 1.61 0.02 -1.26 -5.05 135.00 131.40 1iv9 s PRO 92 Ca 0.00 1.62 0.10 0.00 0.02 0.00 0.00 61.00 62.75 1iv9 s PRO 92 Cb 0.00 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 1iv9 s PRO 92 CO 0.00 -1.33 -0.13 0.14 -0.33 0.00 0.00 177.00 175.35 1iv9 s VAL 93 N -1.98 2.34 0.37 3.83 -7.23 0.17 -4.99 120.40 112.91 1iv9 s VAL 93 Ca 0.72 -2.27 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 1iv9 s VAL 93 Cb -0.26 -2.53 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1iv9 s VAL 93 CO 0.38 -0.27 1.26 -2.84 -0.31 0.00 0.00 175.10 173.31 1iv9 s PRO 94 N -3.58 4.14 0.52 4.82 0.02 -1.26 -4.68 135.00 134.99 1iv9 s PRO 94 Ca 0.32 2.07 -0.23 0.00 0.02 0.00 0.00 61.00 63.18 1iv9 s PRO 94 Cb -0.00 -2.85 -0.06 0.00 0.02 0.00 0.00 34.50 31.61 1iv9 s PRO 94 CO 0.16 -0.31 1.38 -1.25 -0.33 0.00 0.00 177.00 176.64 1iv9 s PRO 95 N -2.07 3.26 0.00 5.54 0.04 -1.26 -5.09 135.00 135.41 1iv9 s PRO 95 Ca 0.54 2.29 0.28 0.00 0.04 0.00 0.00 61.00 64.14 1iv9 s PRO 95 Cb -0.36 -2.35 1.64 0.00 0.04 0.00 0.00 34.50 33.47 1iv9 s PRO 95 CO 0.47 -1.11 1.99 -0.35 0.04 0.00 0.00 177.00 178.03