#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iv7 s GLU 2 N 0.00 0.64 -0.00 1.61 2.12 -1.23 -5.01 118.70 116.83 1iv7 s GLU 2 Ca 0.00 0.86 0.05 0.00 0.36 0.00 0.00 54.97 56.24 1iv7 s GLU 2 Cb 0.00 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 1iv7 s GLU 2 CO 0.00 -0.10 -0.17 -1.58 -0.54 0.00 0.00 175.26 172.87 1iv7 s TRP 3 N 0.64 1.53 0.04 5.30 0.52 -1.26 -0.38 118.94 125.33 1iv7 s TRP 3 Ca -0.03 -0.30 -0.13 0.00 0.02 0.00 0.00 56.10 55.66 1iv7 s TRP 3 Cb -0.05 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.32 1iv7 s TRP 3 CO -0.04 -0.01 0.29 -1.83 0.02 0.00 0.00 176.95 175.38 1iv7 s GLU 4 N -0.55 0.78 -0.07 4.98 -1.05 -0.59 -5.00 118.70 117.20 1iv7 s GLU 4 Ca 0.06 -0.50 -0.14 0.00 -0.15 0.00 0.00 54.97 54.25 1iv7 s GLU 4 Cb -0.07 0.34 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 1iv7 s GLU 4 CO -0.00 -0.24 0.35 0.42 0.95 0.00 0.00 175.26 176.74 1iv7 s ILE 5 N -2.45 5.18 0.04 1.83 1.01 -1.26 -0.40 121.20 125.15 1iv7 s ILE 5 Ca -0.06 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.36 1iv7 s ILE 5 Cb -0.01 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1iv7 s ILE 5 CO -0.03 0.50 -0.17 0.27 0.00 0.00 0.00 174.94 175.51 1iv7 s ILE 6 N -0.46 2.85 0.65 2.92 -4.36 -0.35 -4.93 121.20 117.52 1iv7 s ILE 6 Ca 0.21 -1.16 -0.12 0.00 -0.26 0.00 0.00 60.65 59.31 1iv7 s ILE 6 Cb -0.15 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1iv7 s ILE 6 CO 0.09 0.34 1.05 -0.62 0.24 0.00 0.00 174.94 176.04 1iv7 s ASP 7 N -1.45 5.71 0.33 4.36 3.68 -1.26 -4.21 116.67 123.82 1iv7 s ASP 7 Ca 0.15 1.63 -0.12 0.00 2.13 0.00 0.00 52.55 56.34 1iv7 s ASP 7 Cb -0.11 -2.50 -0.08 0.00 -1.45 0.00 0.00 42.92 38.79 1iv7 s ASP 7 CO 0.06 -1.22 0.70 0.27 0.13 0.00 0.00 175.17 175.11 1iv7 s ILE 8 N -2.89 4.78 -0.01 4.11 -4.36 -1.26 -4.79 121.20 116.78 1iv7 s ILE 8 Ca 0.59 0.70 -0.07 0.00 -0.26 0.00 0.00 60.65 61.60 1iv7 s ILE 8 Cb -0.14 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.94 1iv7 s ILE 8 CO 0.49 -0.28 0.33 0.61 0.24 0.00 0.00 174.94 176.33 1iv7 n GLY 9 N -0.67 0.48 0.41 6.27 0.00 -1.26 -4.98 105.19 105.44 1iv7 n GLY 9 Ca 0.02 -0.88 0.22 0.00 0.00 0.00 0.00 46.02 45.39 1iv7 n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1iv7 h PRO 10 N 0.00 0.00 0.00 1.61 0.11 -1.99 -1.28 132.00 130.46 1iv7 h PRO 10 Ca -0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1iv7 h PRO 10 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1iv7 h PRO 10 CO 0.08 0.00 -0.00 0.35 -0.21 0.00 0.00 178.00 178.22 1iv7 h PHE 11 N 0.00 -0.01 -0.16 0.65 3.57 -1.94 -1.99 116.94 117.06 1iv7 h PHE 11 Ca 0.27 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 1iv7 h PHE 11 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1iv7 h PHE 11 CO 0.00 0.35 -0.32 1.79 -2.23 0.00 0.00 178.31 177.90 1iv7 h THR 12 N -0.36 1.28 -0.62 4.41 1.35 -1.63 -2.79 112.91 114.54 1iv7 h THR 12 Ca -0.00 -1.34 0.04 0.00 -0.55 0.00 0.00 66.41 64.56 1iv7 h THR 12 Cb 0.36 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 1iv7 h THR 12 CO 0.00 0.41 0.35 -0.61 -0.25 0.00 0.00 175.52 175.43 1iv7 h GLN 13 N 0.28 0.66 -0.15 4.72 4.15 -1.18 -0.44 115.11 123.15 1iv7 h GLN 13 Ca 0.04 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 1iv7 h GLN 13 Cb 0.71 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1iv7 h GLN 13 CO 0.05 0.44 -0.19 -0.97 -1.93 0.00 0.00 178.83 176.23 1iv7 h ASN 14 N 0.68 0.24 -0.29 -0.69 -0.73 -1.15 -1.22 115.58 112.42 1iv7 h ASN 14 Ca 0.26 -0.06 -0.10 0.00 1.87 0.00 0.00 56.30 58.27 1iv7 h ASN 14 Cb 0.10 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 1iv7 h ASN 14 CO -0.14 0.45 -0.21 -0.07 -0.37 0.00 0.00 177.43 177.09 1iv7 h LEU 15 N 0.23 0.69 -1.21 0.34 3.38 -1.12 -2.13 115.31 115.49 1iv7 h LEU 15 Ca 0.04 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1iv7 h LEU 15 Cb 0.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1iv7 h LEU 15 CO 0.03 0.98 0.10 1.23 0.09 0.00 0.00 178.44 180.87 1iv7 h GLY 16 N 0.40 0.70 1.34 0.83 0.00 -0.78 -1.03 103.07 104.54 1iv7 h GLY 16 Ca 0.06 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1iv7 h GLY 16 CO 0.06 0.36 -0.36 0.07 0.00 0.00 0.00 176.54 176.66 1iv7 h LYS 17 N 0.64 0.73 -0.27 4.80 2.10 -1.17 -2.27 116.57 121.13 1iv7 h LYS 17 Ca 0.14 -0.36 0.01 0.00 -2.00 0.00 0.00 60.65 58.45 1iv7 h LYS 17 Cb 0.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.56 1iv7 h LYS 17 CO -0.00 0.97 0.14 0.35 -2.00 0.00 0.00 179.45 178.91 1iv7 h PHE 18 N 0.60 0.26 -0.58 0.07 3.57 -0.99 -0.52 116.94 119.36 1iv7 h PHE 18 Ca 0.06 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1iv7 h PHE 18 Cb 0.90 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1iv7 h PHE 18 CO 0.05 0.15 0.25 0.00 -2.23 0.00 0.00 178.31 176.53 1iv7 h ALA 19 N 1.13 0.75 -0.16 2.41 0.00 -0.92 -0.26 119.26 122.22 1iv7 h ALA 19 Ca 0.11 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1iv7 h ALA 19 Cb 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1iv7 h ALA 19 CO -0.07 -0.13 -0.78 0.28 0.00 0.00 0.00 179.25 178.55 1iv7 h VAL 20 N 0.47 1.27 -0.54 0.00 2.07 -1.25 -1.39 116.25 116.88 1iv7 h VAL 20 Ca 0.28 -1.97 0.05 0.00 0.82 0.00 0.00 66.70 65.88 1iv7 h VAL 20 Cb 0.28 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1iv7 h VAL 20 CO -0.24 0.63 0.27 0.44 0.02 0.00 0.00 177.57 178.68 1iv7 h ASP 21 N 0.55 0.37 -0.50 0.57 3.45 -0.69 -1.87 116.42 118.31 1iv7 h ASP 21 Ca -0.05 0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 1iv7 h ASP 21 Cb 1.41 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.13 1iv7 h ASP 21 CO 0.16 0.25 0.01 -0.33 -1.57 0.00 0.00 179.24 177.76 1iv7 h GLU 22 N 0.51 0.88 -0.02 3.56 4.39 -0.97 -2.95 114.58 119.98 1iv7 h GLU 22 Ca 0.24 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.55 1iv7 h GLU 22 Cb 0.17 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1iv7 h GLU 22 CO -0.18 0.91 -0.52 1.49 -1.16 0.00 0.00 179.01 179.55 1iv7 h GLU 23 N 0.74 0.06 0.00 2.33 4.57 -1.16 -1.34 114.58 119.78 1iv7 h GLU 23 Ca 0.14 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1iv7 h GLU 23 Cb 0.51 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1iv7 h GLU 23 CO 0.02 0.57 -0.34 -0.91 -1.18 0.00 0.00 179.01 177.17 1iv7 h ASN 24 N 0.05 0.00 0.08 1.04 2.35 -1.27 0.25 115.58 118.08 1iv7 h ASN 24 Ca -0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 1iv7 h ASN 24 Cb 0.93 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 1iv7 h ASN 24 CO 0.07 0.34 -0.67 0.11 -1.65 0.00 0.00 177.43 175.64 1iv7 h LYS 25 N 0.00 0.55 -0.07 0.81 1.57 -1.09 -3.19 116.57 115.16 1iv7 h LYS 25 Ca -0.00 -0.41 -0.20 0.00 -1.87 0.00 0.00 60.65 58.17 1iv7 h LYS 25 Cb 0.68 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.07 1iv7 h LYS 25 CO 0.04 1.03 -0.73 0.82 -0.57 0.00 0.00 179.45 180.04 1iv7 h ILE 26 N 0.39 1.33 0.00 1.86 2.04 -0.74 -3.48 117.51 118.92 1iv7 h ILE 26 Ca -0.02 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1iv7 h ILE 26 Cb 1.25 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1iv7 h ILE 26 CO 0.12 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.50 1iv7 n GLY 27 N 0.87 0.81 0.00 5.37 0.00 0.76 -4.95 105.19 108.05 1iv7 n GLY 27 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1iv7 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iv7 n GLN 28 N -2.20 0.36 -0.06 1.61 6.02 -1.26 -1.10 117.38 120.75 1iv7 n GLN 28 Ca 0.00 0.08 0.01 0.00 -0.01 0.00 0.00 57.00 57.08 1iv7 n GLN 28 Cb 0.00 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.77 1iv7 n GLN 28 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1iv7 n TYR 29 N -1.18 0.00 -2.99 1.08 4.01 -1.26 -5.12 117.16 111.70 1iv7 n TYR 29 Ca 0.10 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1iv7 n TYR 29 Cb 0.11 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1iv7 n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1iv7 n GLY 30 N -0.35 -1.74 3.74 2.72 0.00 -0.26 -4.72 105.19 104.58 1iv7 n GLY 30 Ca 0.02 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1iv7 n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iv7 s ARG 31 N 0.00 4.39 0.00 1.61 6.06 -1.26 -4.73 118.95 125.03 1iv7 s ARG 31 Ca 0.00 0.83 0.08 0.00 -2.50 0.00 0.00 55.73 54.14 1iv7 s ARG 31 Cb 0.00 -3.39 -0.02 0.00 0.06 0.00 0.00 34.95 31.60 1iv7 s ARG 31 CO 0.00 0.24 -0.26 -0.51 -2.50 0.00 0.00 175.30 172.27 1iv7 s LEU 32 N 0.21 2.09 -0.12 -0.88 1.43 -1.26 -4.98 118.68 115.17 1iv7 s LEU 32 Ca 0.34 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1iv7 s LEU 32 Cb -0.18 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1iv7 s LEU 32 CO 0.18 0.29 -0.07 -0.89 0.23 0.00 0.00 176.35 176.10 1iv7 s THR 33 N -0.67 3.66 -0.08 5.49 2.01 -1.26 -4.92 115.64 119.86 1iv7 s THR 33 Ca 0.10 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 1iv7 s THR 33 Cb -0.10 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1iv7 s THR 33 CO 0.00 0.53 1.17 0.12 -0.69 0.00 0.00 174.62 175.75 1iv7 s PHE 34 N -0.03 3.22 -0.07 4.92 2.19 -1.26 -0.59 117.98 126.36 1iv7 s PHE 34 Ca -0.00 1.27 -0.09 0.00 0.33 0.00 0.00 56.93 58.44 1iv7 s PHE 34 Cb -0.13 -3.38 -0.03 0.00 -1.31 0.00 0.00 43.02 38.16 1iv7 s PHE 34 CO 0.03 -1.13 -0.17 0.09 1.83 0.00 0.00 175.22 175.87 1iv7 n ASN 35 N 5.34 1.08 -3.63 6.13 5.03 -0.64 -4.92 115.26 123.66 1iv7 n ASN 35 Ca 0.11 0.18 -0.05 0.00 0.87 0.00 0.00 54.58 55.69 1iv7 n ASN 35 Cb 0.46 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.66 1iv7 n ASN 35 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1iv7 s LYS 36 N -2.05 0.90 -0.17 3.52 -2.85 -1.13 -5.01 119.74 112.95 1iv7 s LYS 36 Ca -0.14 -0.43 -0.06 0.00 -1.00 0.00 0.00 55.97 54.34 1iv7 s LYS 36 Cb 0.02 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 1iv7 s LYS 36 CO 0.20 -0.40 0.03 0.08 0.10 0.00 0.00 175.35 175.36 1iv7 s VAL 37 N -3.07 4.48 0.45 1.79 1.01 -1.26 -0.58 120.40 123.23 1iv7 s VAL 37 Ca 0.09 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1iv7 s VAL 37 Cb -0.01 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1iv7 s VAL 37 CO -0.03 0.48 0.33 0.27 0.00 0.00 0.00 175.10 176.14 1iv7 s ILE 38 N 0.32 2.27 0.52 2.22 -4.36 -0.68 -4.94 121.20 116.56 1iv7 s ILE 38 Ca 0.01 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 58.74 1iv7 s ILE 38 Cb -0.13 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.75 1iv7 s ILE 38 CO 0.01 0.00 1.00 -0.13 0.24 0.00 0.00 174.94 176.06 1iv7 s ARG 39 N -4.11 3.82 0.33 0.37 0.52 -1.26 -4.38 118.95 114.24 1iv7 s ARG 39 Ca 0.42 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.62 1iv7 s ARG 39 Cb -0.01 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.30 1iv7 s ARG 39 CO 0.24 -0.38 0.61 -1.25 0.02 0.00 0.00 175.30 174.55 1iv7 s PRO 40 N -3.95 3.63 -0.18 3.54 0.04 -1.26 -4.89 135.00 131.92 1iv7 s PRO 40 Ca 0.61 0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.73 1iv7 s PRO 40 Cb -0.12 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.87 1iv7 s PRO 40 CO 0.30 0.12 -0.19 0.00 0.04 0.00 0.00 177.00 177.28 1iv7 s MET 42 N 1.29 3.73 -0.12 0.00 -1.94 -1.07 -1.21 119.30 119.98 1iv7 s MET 42 Ca 0.04 0.00 0.03 0.00 -1.71 0.00 0.00 55.69 54.05 1iv7 s MET 42 Cb -0.14 -3.25 0.01 0.00 2.01 0.00 0.00 34.83 33.46 1iv7 s MET 42 CO -0.12 0.64 -0.21 0.21 -0.01 0.00 0.00 175.02 175.53 1iv7 s LYS 43 N -0.70 2.81 -0.13 2.03 2.20 0.47 -0.55 119.74 125.87 1iv7 s LYS 43 Ca 0.16 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1iv7 s LYS 43 Cb -0.13 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 1iv7 s LYS 43 CO 0.05 0.05 -0.01 0.21 -0.36 0.00 0.00 175.35 175.30 1iv7 s LYS 44 N 0.66 3.39 -0.16 4.03 2.20 0.35 -1.54 119.74 128.66 1iv7 s LYS 44 Ca -0.12 -0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 54.87 1iv7 s LYS 44 Cb -0.16 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1iv7 s LYS 44 CO 0.03 0.45 0.44 0.99 -0.36 0.00 0.00 175.35 176.90 1iv7 s THR 45 N -0.20 5.19 -0.27 3.43 2.01 0.49 -1.00 115.64 125.29 1iv7 s THR 45 Ca 0.05 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 1iv7 s THR 45 Cb -0.13 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1iv7 s THR 45 CO 0.02 0.28 0.03 -0.63 -0.69 0.00 0.00 174.62 173.63 1iv7 s ILE 46 N 1.02 3.65 0.20 1.82 1.01 0.23 -0.85 121.20 128.27 1iv7 s ILE 46 Ca 0.23 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1iv7 s ILE 46 Cb -0.15 -2.83 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 1iv7 s ILE 46 CO 0.09 0.18 0.65 -0.31 0.00 0.00 0.00 174.94 175.55 1iv7 s TYR 47 N 1.47 3.62 0.18 3.97 1.51 -1.26 -0.43 117.35 126.40 1iv7 s TYR 47 Ca 0.03 1.24 -0.17 0.00 -1.01 0.00 0.00 57.07 57.16 1iv7 s TYR 47 Cb -0.16 -2.51 0.13 0.00 -0.11 0.00 0.00 41.96 39.30 1iv7 s TYR 47 CO 0.00 0.36 1.64 1.49 -1.11 0.00 0.00 175.55 177.93 1iv7 h GLU 48 N 3.41 -0.07 -4.61 -0.62 4.57 -1.56 -3.42 114.58 112.27 1iv7 h GLU 48 Ca -0.48 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.24 1iv7 h GLU 48 Cb 1.19 0.02 -0.32 0.00 -0.16 0.00 0.00 28.75 29.48 1iv7 h GLU 48 CO 0.65 -0.05 -0.80 -0.80 -1.18 0.00 0.00 179.01 176.84 1iv7 s ASN 49 N -5.17 1.45 0.23 1.04 0.01 -1.26 -5.05 114.94 106.19 1iv7 s ASN 49 Ca -0.14 -0.23 -0.31 0.00 -0.71 0.00 0.00 52.86 51.46 1iv7 s ASN 49 Cb 0.16 -0.50 -0.13 0.00 0.41 0.00 0.00 41.25 41.19 1iv7 s ASN 49 CO 0.71 0.06 1.46 -0.62 -1.51 0.00 0.00 177.10 177.20 1iv7 n GLU 50 N 3.49 2.15 -0.67 -0.60 1.02 -1.26 -1.75 120.64 123.02 1iv7 n GLU 50 Ca -0.20 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1iv7 n GLU 50 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1iv7 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iv7 n GLY 51 N 2.39 1.17 3.59 0.62 0.00 -1.26 -5.03 105.19 106.65 1iv7 n GLY 51 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1iv7 n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iv7 s PHE 52 N -3.47 2.49 -0.08 1.61 0.40 -0.72 -5.06 117.98 113.15 1iv7 s PHE 52 Ca 0.00 -0.39 0.13 0.00 -0.60 0.00 0.00 56.93 56.07 1iv7 s PHE 52 Cb 0.00 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1iv7 s PHE 52 CO 0.00 0.57 1.39 0.00 0.70 0.00 0.00 175.22 177.88 1iv7 h ARG 53 N 1.95 0.00 -6.54 0.44 3.08 -1.96 -3.44 114.38 107.90 1iv7 h ARG 53 Ca -0.42 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.10 1iv7 h ARG 53 Cb 1.25 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.34 1iv7 h ARG 53 CO 0.65 0.64 0.94 -2.00 -1.07 0.00 0.00 179.97 179.12 1iv7 s GLU 54 N -2.89 4.20 -0.25 0.04 2.12 -1.26 -4.95 118.70 115.71 1iv7 s GLU 54 Ca 0.03 2.37 -0.14 0.00 0.36 0.00 0.00 54.97 57.59 1iv7 s GLU 54 Cb 0.08 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1iv7 s GLU 54 CO 0.77 -0.67 0.33 0.42 -0.54 0.00 0.00 175.26 175.56 1iv7 s ILE 55 N 1.80 5.22 -0.05 -3.70 1.01 -1.26 -1.44 121.20 122.77 1iv7 s ILE 55 Ca 0.72 0.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.70 1iv7 s ILE 55 Cb -0.42 -3.66 -0.31 0.00 0.01 0.00 0.00 42.46 38.08 1iv7 s ILE 55 CO 0.32 0.21 0.75 0.50 0.00 0.00 0.00 174.94 176.72 1iv7 h LYS 56 N 7.96 0.35 0.00 2.79 3.64 -1.02 -3.44 116.57 126.85 1iv7 h LYS 56 Ca -0.34 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 1iv7 h LYS 56 Cb 1.17 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1iv7 h LYS 56 CO 0.65 1.29 0.00 0.41 -2.27 0.00 0.00 179.45 179.53 1iv7 n GLY 57 N 1.75 0.59 3.13 5.01 0.00 -0.90 -1.39 105.19 113.38 1iv7 n GLY 57 Ca -0.21 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 1iv7 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iv7 s TYR 58 N -2.07 0.74 -0.02 1.61 1.51 0.59 -0.60 117.35 119.11 1iv7 s TYR 58 Ca 0.00 -1.11 0.03 0.00 -1.01 0.00 0.00 57.07 54.98 1iv7 s TYR 58 Cb 0.00 -0.46 -0.00 0.00 -0.11 0.00 0.00 41.96 41.39 1iv7 s TYR 58 CO 0.00 -0.39 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.75 1iv7 s GLU 59 N -3.96 0.88 -0.08 -0.62 2.02 -0.17 -0.59 118.70 116.18 1iv7 s GLU 59 Ca 0.15 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1iv7 s GLU 59 Cb 0.07 -0.84 -0.01 0.00 0.10 0.00 0.00 34.13 33.45 1iv7 s GLU 59 CO -0.04 0.15 -0.19 0.71 0.02 0.00 0.00 175.26 175.91 1iv7 s TYR 60 N 0.03 2.63 -0.35 1.61 1.51 0.46 -0.50 117.35 122.74 1iv7 s TYR 60 Ca -0.00 -0.62 -0.10 0.00 -1.01 0.00 0.00 57.07 55.33 1iv7 s TYR 60 Cb -0.07 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1iv7 s TYR 60 CO 0.00 -0.16 0.18 -0.65 -1.11 0.00 0.00 175.55 173.82 1iv7 s GLN 61 N -0.06 3.06 0.23 -0.62 -0.21 0.29 -1.22 119.66 121.14 1iv7 s GLN 61 Ca -0.05 -0.92 0.10 0.00 0.02 0.00 0.00 55.36 54.52 1iv7 s GLN 61 Cb -0.14 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.16 1iv7 s GLN 61 CO 0.04 -0.57 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.03 1iv7 s LEU 62 N 1.58 2.89 -0.25 2.90 1.02 0.54 -2.61 118.68 124.75 1iv7 s LEU 62 Ca 0.03 -0.74 -0.04 0.00 0.02 0.00 0.00 54.13 53.40 1iv7 s LEU 62 Cb -0.18 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.55 1iv7 s LEU 62 CO 0.06 0.06 -0.01 -0.31 0.02 0.00 0.00 176.35 176.17 1iv7 s TYR 63 N -2.10 3.04 -0.12 0.29 2.02 -1.26 -1.21 117.35 118.01 1iv7 s TYR 63 Ca 0.28 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.91 1iv7 s TYR 63 Cb -0.07 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1iv7 s TYR 63 CO 0.16 -0.60 -0.20 0.08 -1.57 0.00 0.00 175.55 173.42 1iv7 s VAL 64 N 1.45 1.89 -0.03 0.71 1.01 -0.02 -1.69 120.40 123.72 1iv7 s VAL 64 Ca 0.04 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1iv7 s VAL 64 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1iv7 s VAL 64 CO -0.02 0.52 0.72 -0.31 0.00 0.00 0.00 175.10 176.01 1iv7 s TYR 65 N 0.77 3.63 -0.10 5.22 1.51 0.26 -1.14 117.35 127.49 1iv7 s TYR 65 Ca -0.09 1.32 -0.05 0.00 -1.01 0.00 0.00 57.07 57.24 1iv7 s TYR 65 Cb -0.16 -2.81 0.05 0.00 -0.11 0.00 0.00 41.96 38.93 1iv7 s TYR 65 CO 0.00 0.15 0.23 0.00 -1.11 0.00 0.00 175.55 174.82 1iv7 s ALA 66 N 0.53 -0.51 -1.42 3.71 0.00 -0.15 -1.62 121.76 122.31 1iv7 s ALA 66 Ca 0.38 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 53.22 1iv7 s ALA 66 Cb -0.19 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.31 1iv7 s ALA 66 CO 0.20 -0.26 0.81 0.43 0.00 0.00 0.00 175.76 176.94 1iv7 n SER 67 N 4.40 -2.74 -1.62 0.00 7.64 0.24 -0.70 113.62 120.83 1iv7 n SER 67 Ca -0.23 -0.81 -0.12 0.00 1.01 0.00 0.00 58.87 58.72 1iv7 n SER 67 Cb 0.52 -3.91 -0.04 0.00 -1.01 0.00 0.00 64.21 59.77 1iv7 n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1iv7 n ASP 68 N -2.95 -3.33 -4.50 6.43 9.92 -1.26 -4.95 116.55 115.92 1iv7 n ASP 68 Ca -0.15 0.27 -0.25 0.00 -0.53 0.00 0.00 54.79 54.14 1iv7 n ASP 68 Cb 0.61 -3.07 -0.10 0.00 -0.64 0.00 0.00 41.12 37.92 1iv7 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1iv7 s LYS 69 N -3.51 1.72 -0.20 -1.24 1.02 0.12 -5.12 119.74 112.54 1iv7 s LYS 69 Ca 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 55.97 54.12 1iv7 s LYS 69 Cb 0.00 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 1iv7 s LYS 69 CO 0.00 0.25 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.49 1iv7 s LEU 70 N -3.54 3.15 0.18 3.17 2.96 -1.26 -0.97 118.68 122.36 1iv7 s LEU 70 Ca 0.31 -0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.07 1iv7 s LEU 70 Cb -0.02 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1iv7 s LEU 70 CO 0.15 0.06 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.69 1iv7 s PHE 71 N 1.01 1.98 -0.25 5.38 0.40 -0.29 -1.03 117.98 125.18 1iv7 s PHE 71 Ca 0.01 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.82 1iv7 s PHE 71 Cb -0.14 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1iv7 s PHE 71 CO 0.01 0.40 0.11 1.03 0.70 0.00 0.00 175.22 177.47 1iv7 s ARG 72 N -2.80 3.81 0.01 0.44 1.81 -0.50 -0.84 118.95 120.88 1iv7 s ARG 72 Ca 0.18 -0.40 0.08 0.00 -1.72 0.00 0.00 55.73 53.86 1iv7 s ARG 72 Cb -0.06 -3.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.99 1iv7 s ARG 72 CO 0.08 -0.12 -0.23 0.00 -0.68 0.00 0.00 175.30 174.35 1iv7 s ALA 73 N 1.48 1.96 -0.06 2.13 0.00 -0.35 -2.13 121.76 124.79 1iv7 s ALA 73 Ca 0.06 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1iv7 s ALA 73 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1iv7 s ALA 73 CO 0.06 0.47 -0.19 -0.51 0.00 0.00 0.00 175.76 175.58 1iv7 s ASP 74 N -0.82 3.57 -0.02 0.00 -0.00 -0.60 -0.34 116.67 118.47 1iv7 s ASP 74 Ca 0.09 -0.36 0.03 0.00 -0.00 0.00 0.00 52.55 52.31 1iv7 s ASP 74 Cb -0.09 -0.93 -0.00 0.00 -0.00 0.00 0.00 42.92 41.90 1iv7 s ASP 74 CO 0.00 0.27 -0.10 -0.63 -0.00 0.00 0.00 175.17 174.72 1iv7 s ILE 75 N -0.32 0.80 0.12 0.77 1.01 -0.36 -0.24 121.20 122.98 1iv7 s ILE 75 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1iv7 s ILE 75 Cb -0.13 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 1iv7 s ILE 75 CO 0.02 0.24 0.22 -0.94 0.00 0.00 0.00 174.94 174.49 1iv7 s SER 76 N 0.06 6.16 -0.04 3.58 1.04 -0.29 -0.41 113.70 123.81 1iv7 s SER 76 Ca -0.01 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 1iv7 s SER 76 Cb -0.07 -1.83 0.03 0.00 0.10 0.00 0.00 66.02 64.26 1iv7 s SER 76 CO 0.00 0.10 0.08 -0.70 0.98 0.00 0.00 173.24 173.70 1iv7 s GLU 77 N -2.91 -0.01 -0.01 4.02 2.12 0.24 -2.07 118.70 120.08 1iv7 s GLU 77 Ca 0.34 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.69 1iv7 s GLU 77 Cb -0.12 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 33.93 1iv7 s GLU 77 CO 0.27 -0.23 1.21 0.34 -0.54 0.00 0.00 175.26 176.31 1iv7 s ASP 78 N 1.54 7.06 0.30 -1.70 2.15 -0.12 -0.30 116.67 125.61 1iv7 s ASP 78 Ca -0.04 1.90 0.01 0.00 0.43 0.00 0.00 52.55 54.84 1iv7 s ASP 78 Cb -0.12 -2.57 0.48 0.00 -0.30 0.00 0.00 42.92 40.41 1iv7 s ASP 78 CO -0.04 -0.54 1.87 0.22 -0.17 0.00 0.00 175.17 176.50 1iv7 h TYR 79 N 7.25 0.77 0.02 -5.34 3.20 -1.51 -2.29 116.97 119.07 1iv7 h TYR 79 Ca -0.37 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 1iv7 h TYR 79 Cb 1.18 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1iv7 h TYR 79 CO 0.71 0.64 -0.45 0.87 -1.64 0.00 0.00 178.16 178.29 1iv7 h LYS 80 N 0.74 0.04 0.00 1.82 1.57 -1.87 -3.38 116.57 115.49 1iv7 h LYS 80 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1iv7 h LYS 80 Cb 0.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1iv7 h LYS 80 CO -0.01 1.03 -0.13 1.79 -0.57 0.00 0.00 179.45 181.57 1iv7 h THR 81 N -0.90 0.00 0.00 -0.16 1.35 -1.97 -3.47 112.91 107.76 1iv7 h THR 81 Ca -0.11 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1iv7 h THR 81 Cb 1.18 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1iv7 h THR 81 CO -0.03 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.78 1iv7 n ARG 82 N -2.65 -0.67 -1.85 4.72 1.74 -0.86 -4.99 116.66 112.10 1iv7 n ARG 82 Ca 0.04 0.17 -0.40 0.00 -0.77 0.00 0.00 57.85 56.89 1iv7 n ARG 82 Cb 0.48 -3.90 0.01 0.00 -1.02 0.00 0.00 32.46 28.03 1iv7 n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1iv7 s GLY 83 N -2.00 2.93 0.13 -0.13 0.00 -1.26 -4.67 107.32 102.32 1iv7 s GLY 83 Ca 0.00 1.45 0.10 0.00 0.00 0.00 0.00 44.72 46.27 1iv7 s GLY 83 CO 0.00 2.08 -0.24 0.50 0.00 0.00 0.00 173.10 175.44 1iv7 s ARG 84 N -2.29 1.31 -0.01 2.90 0.52 -1.26 -0.94 118.95 119.17 1iv7 s ARG 84 Ca 0.58 -1.31 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1iv7 s ARG 84 Cb -0.43 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.35 1iv7 s ARG 84 CO 0.57 0.39 -0.02 0.15 0.02 0.00 0.00 175.30 176.41 1iv7 s LYS 85 N -2.11 0.24 -0.20 3.54 1.02 -0.88 -4.98 119.74 116.37 1iv7 s LYS 85 Ca 0.12 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.77 1iv7 s LYS 85 Cb -0.10 -0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1iv7 s LYS 85 CO 0.06 0.01 1.20 -1.17 -0.92 0.00 0.00 175.35 174.52 1iv7 s LEU 86 N 0.22 4.12 -0.09 3.17 2.96 -1.26 -1.14 118.68 126.66 1iv7 s LEU 86 Ca -0.02 1.53 -0.11 0.00 -0.22 0.00 0.00 54.13 55.31 1iv7 s LEU 86 Cb -0.04 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.83 1iv7 s LEU 86 CO -0.01 -0.77 0.52 -0.07 -1.32 0.00 0.00 176.35 174.70 1iv7 h LEU 87 N 9.78 0.48 -7.26 -0.68 3.38 -0.98 -3.48 115.31 116.55 1iv7 h LEU 87 Ca -0.24 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.72 1iv7 h LEU 87 Cb 1.09 -0.16 -0.21 0.00 0.09 0.00 0.00 40.66 41.47 1iv7 h LEU 87 CO 0.98 1.78 -0.09 -0.13 0.09 0.00 0.00 178.44 181.07 1iv7 s ARG 88 N -2.54 0.75 -0.21 1.13 0.52 -1.15 -4.97 118.95 112.49 1iv7 s ARG 88 Ca -0.20 0.26 -0.04 0.00 -0.52 0.00 0.00 55.73 55.24 1iv7 s ARG 88 Cb 0.06 0.35 0.11 0.00 0.52 0.00 0.00 34.95 35.99 1iv7 s ARG 88 CO 0.80 -0.19 0.32 0.12 0.02 0.00 0.00 175.30 176.37 1iv7 s PHE 89 N -0.72 -0.60 0.09 -0.53 2.19 -1.26 -1.55 117.98 115.60 1iv7 s PHE 89 Ca -0.08 0.73 0.02 0.00 0.33 0.00 0.00 56.93 57.92 1iv7 s PHE 89 Cb -0.03 -0.08 -0.04 0.00 -1.31 0.00 0.00 43.02 41.56 1iv7 s PHE 89 CO 0.05 -0.61 -0.07 -0.80 1.83 0.00 0.00 175.22 175.62 1iv7 s ASN 90 N 2.47 1.06 0.00 6.13 0.01 -0.91 -4.99 114.94 118.71 1iv7 s ASN 90 Ca 0.08 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.31 1iv7 s ASN 90 Cb -0.15 0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.60 1iv7 s ASN 90 CO -0.13 -0.42 0.00 0.61 -1.51 0.00 0.00 177.10 175.64 1iv7 n GLY 91 N 0.23 0.75 3.75 0.66 0.00 -1.26 -1.41 105.19 107.92 1iv7 n GLY 91 Ca -0.14 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1iv7 n GLY 91 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iv7 s PRO 92 N -1.48 3.00 0.31 1.61 0.02 -1.26 -5.06 135.00 132.13 1iv7 s PRO 92 Ca 0.00 2.04 0.10 0.00 0.02 0.00 0.00 61.00 63.16 1iv7 s PRO 92 Cb 0.00 -2.08 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1iv7 s PRO 92 CO 0.00 -1.24 -0.05 0.14 -0.33 0.00 0.00 177.00 175.52 1iv7 s VAL 93 N -1.42 2.78 0.63 3.83 -7.23 -0.19 -5.02 120.40 113.77 1iv7 s VAL 93 Ca 0.75 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 1iv7 s VAL 93 Cb -0.36 -2.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1iv7 s VAL 93 CO 0.41 -0.29 1.05 -2.84 -0.31 0.00 0.00 175.10 173.12 1iv7 s PRO 94 N -3.65 3.21 0.47 4.82 0.02 -1.26 -4.67 135.00 133.94 1iv7 s PRO 94 Ca 0.33 1.10 -0.23 0.00 0.02 0.00 0.00 61.00 62.22 1iv7 s PRO 94 Cb -0.03 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.40 1iv7 s PRO 94 CO 0.18 -0.89 1.21 -2.14 -0.33 0.00 0.00 177.00 175.03 1iv7 s PRO 95 N -4.41 3.68 0.00 5.54 0.02 -1.26 -5.08 135.00 133.48 1iv7 s PRO 95 Ca 0.61 1.88 0.29 0.00 0.02 0.00 0.00 61.00 63.80 1iv7 s PRO 95 Cb -0.15 -2.42 1.75 0.00 0.02 0.00 0.00 34.50 33.70 1iv7 s PRO 95 CO 0.43 -0.65 2.08 -2.30 -0.33 0.00 0.00 177.00 176.23