#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie7 s LEU 3 N 0.00 4.38 0.72 2.41 1.43 -1.26 -5.03 118.68 121.33 1ie7 s LEU 3 Ca 0.00 2.59 -0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1ie7 s LEU 3 Cb 0.00 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.75 1ie7 s LEU 3 CO 0.00 -0.76 0.99 0.54 0.23 0.00 0.00 176.35 177.35 1ie7 s ASN 4 N 0.86 4.34 0.18 2.29 2.20 -1.26 -4.93 114.94 118.62 1ie7 s ASN 4 Ca 0.65 -0.43 -0.13 0.00 -0.94 0.00 0.00 52.86 52.01 1ie7 s ASN 4 Cb -0.42 0.08 0.13 0.00 -2.00 0.00 0.00 41.25 39.04 1ie7 s ASN 4 CO 0.35 -1.87 1.77 -0.65 -2.94 0.00 0.00 177.10 173.76 1ie7 h PRO 5 N -0.51 0.41 -0.49 3.55 0.11 -2.00 -2.31 132.00 130.76 1ie7 h PRO 5 Ca -0.35 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1ie7 h PRO 5 Cb 1.27 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1ie7 h PRO 5 CO 0.39 0.27 -0.03 0.00 -0.21 0.00 0.00 178.00 178.42 1ie7 h ALA 6 N 1.28 1.02 -0.64 -0.75 0.00 -1.99 -2.10 119.26 116.08 1ie7 h ALA 6 Ca 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ie7 h ALA 6 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ie7 h ALA 6 CO -0.18 0.60 0.26 0.93 0.00 0.00 0.00 179.25 180.86 1ie7 h GLU 7 N 0.77 0.96 -0.06 0.00 5.08 -1.87 -0.27 114.58 119.19 1ie7 h GLU 7 Ca 0.14 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ie7 h GLU 7 Cb 0.51 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ie7 h GLU 7 CO 0.03 0.81 0.03 0.87 -1.00 0.00 0.00 179.01 179.74 1ie7 h LYS 8 N 0.90 0.09 -0.44 2.33 1.57 -1.18 -2.64 116.57 117.20 1ie7 h LYS 8 Ca 0.21 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1ie7 h LYS 8 Cb 0.21 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1ie7 h LYS 8 CO -0.02 0.19 0.23 0.93 -0.57 0.00 0.00 179.45 180.22 1ie7 h GLU 9 N -0.04 0.45 0.00 3.15 5.08 -1.12 -3.06 114.58 119.03 1ie7 h GLU 9 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ie7 h GLU 9 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ie7 h GLU 9 CO -0.00 0.29 0.00 0.87 -1.00 0.00 0.00 179.01 179.17 1ie7 h LYS 10 N 0.46 0.00 -0.46 2.33 1.57 -0.98 -2.11 116.57 117.37 1ie7 h LYS 10 Ca 0.19 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1ie7 h LYS 10 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1ie7 h LYS 10 CO -0.12 0.00 0.31 -0.07 -0.57 0.00 0.00 179.45 179.00 1ie7 h LEU 11 N 0.00 0.43 -0.94 2.94 3.38 -1.36 -1.77 115.31 118.00 1ie7 h LEU 11 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ie7 h LEU 11 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ie7 h LEU 11 CO 0.00 0.30 -0.40 1.56 0.09 0.00 0.00 178.44 179.99 1ie7 h GLN 12 N 0.50 0.00 0.28 1.13 1.08 -1.50 0.52 115.11 117.12 1ie7 h GLN 12 Ca 0.19 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1ie7 h GLN 12 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1ie7 h GLN 12 CO -0.05 0.40 -0.13 0.82 -0.95 0.00 0.00 178.83 178.92 1ie7 h ILE 13 N 0.00 0.76 0.00 2.54 2.04 -1.40 1.00 117.51 122.45 1ie7 h ILE 13 Ca -0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ie7 h ILE 13 Cb 0.91 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1ie7 h ILE 13 CO 0.05 0.11 0.00 0.33 0.00 0.00 0.00 178.15 178.64 1ie7 n PHE 14 N -5.13 0.00 -0.06 1.37 7.35 -1.00 -1.04 117.46 118.95 1ie7 n PHE 14 Ca -0.09 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.58 1ie7 n PHE 14 Cb 0.25 -0.08 -0.01 0.00 0.35 0.00 0.00 39.48 39.98 1ie7 n PHE 14 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1ie7 n LEU 15 N -0.93 -0.14 -0.32 -2.13 7.94 0.18 0.35 117.00 121.94 1ie7 n LEU 15 Ca 0.00 0.36 0.17 0.00 -1.11 0.00 0.00 56.01 55.43 1ie7 n LEU 15 Cb 0.00 -0.09 0.40 0.00 0.53 0.00 0.00 43.42 44.26 1ie7 n LEU 15 CO 0.00 -0.26 1.20 0.00 -1.11 0.00 0.00 177.39 177.22 1ie7 h ALA 16 N -0.06 1.91 -0.24 1.96 0.00 -0.48 -1.78 119.26 120.57 1ie7 h ALA 16 Ca 0.02 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ie7 h ALA 16 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ie7 h ALA 16 CO -0.13 -0.28 -0.29 1.03 0.00 0.00 0.00 179.25 179.58 1ie7 h SER 17 N 0.60 0.49 -0.66 0.00 0.87 0.16 -1.21 113.55 113.81 1ie7 h SER 17 Ca 0.57 -0.18 -0.07 0.00 -1.23 0.00 0.00 61.79 60.88 1ie7 h SER 17 Cb 1.11 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1ie7 h SER 17 CO -0.33 0.77 0.15 -0.33 -0.53 0.00 0.00 176.83 176.55 1ie7 h GLU 18 N 0.42 1.06 -0.15 2.24 4.39 -1.42 -0.34 114.58 120.78 1ie7 h GLU 18 Ca 0.06 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1ie7 h GLU 18 Cb 0.72 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1ie7 h GLU 18 CO 0.06 0.96 0.04 1.25 -1.16 0.00 0.00 179.01 180.15 1ie7 h LEU 19 N 0.98 0.23 -0.76 1.33 5.85 -1.29 -2.21 115.31 119.45 1ie7 h LEU 19 Ca 0.21 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1ie7 h LEU 19 Cb 0.38 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1ie7 h LEU 19 CO 0.00 0.39 0.33 0.25 -0.34 0.00 0.00 178.44 179.08 1ie7 h LEU 20 N 0.06 1.02 -1.11 2.25 5.85 -1.00 -2.05 115.31 120.33 1ie7 h LEU 20 Ca 0.05 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1ie7 h LEU 20 Cb 0.25 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1ie7 h LEU 20 CO -0.00 0.89 0.17 -0.07 -0.34 0.00 0.00 178.44 179.09 1ie7 h LEU 21 N 1.08 0.73 -0.43 2.25 3.38 -0.96 0.54 115.31 121.91 1ie7 h LEU 21 Ca 0.26 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ie7 h LEU 21 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ie7 h LEU 21 CO -0.03 0.70 -0.02 0.03 0.09 0.00 0.00 178.44 179.21 1ie7 h ARG 22 N 0.78 0.78 -0.55 1.13 3.08 -1.13 0.05 114.38 118.52 1ie7 h ARG 22 Ca 0.18 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ie7 h ARG 22 Cb 0.23 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1ie7 h ARG 22 CO -0.01 0.86 0.36 0.00 -1.07 0.00 0.00 179.97 180.10 1ie7 h ARG 23 N 0.62 0.74 -0.63 0.04 3.08 -0.88 -2.28 114.38 115.06 1ie7 h ARG 23 Ca 0.12 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1ie7 h ARG 23 Cb 0.52 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1ie7 h ARG 23 CO 0.03 0.51 0.28 -0.22 -1.07 0.00 0.00 179.97 179.49 1ie7 h LYS 24 N 0.75 0.90 0.00 0.04 3.64 -0.72 -2.24 116.57 118.95 1ie7 h LYS 24 Ca 0.20 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ie7 h LYS 24 Cb -0.06 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1ie7 h LYS 24 CO -0.04 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 1ie7 h ALA 25 N 1.41 1.00 -0.60 5.00 0.00 -0.68 -0.98 119.26 124.40 1ie7 h ALA 25 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ie7 h ALA 25 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ie7 h ALA 25 CO -0.02 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.12 1ie7 n ARG 26 N -2.69 2.52 0.00 0.00 1.85 -0.88 -4.90 116.66 112.55 1ie7 n ARG 26 Ca 0.02 -2.22 0.00 0.00 -1.00 0.00 0.00 57.85 54.65 1ie7 n ARG 26 Cb 0.29 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 1ie7 n ARG 26 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ie7 n GLY 27 N 1.41 0.87 3.79 2.89 0.00 -0.37 -5.07 105.19 108.70 1ie7 n GLY 27 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1ie7 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ie7 s LEU 28 N 0.00 4.34 0.07 0.99 1.43 -0.89 -5.02 118.68 119.60 1ie7 s LEU 28 Ca 0.00 1.75 -0.31 0.00 -1.03 0.00 0.00 54.13 54.54 1ie7 s LEU 28 Cb 0.00 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.22 1ie7 s LEU 28 CO 0.00 -0.05 1.39 -0.54 0.23 0.00 0.00 176.35 177.39 1ie7 s LYS 29 N -2.04 4.31 0.48 1.70 -0.14 -1.26 -4.36 119.74 118.43 1ie7 s LYS 29 Ca 0.49 2.02 -0.19 0.00 -1.36 0.00 0.00 55.97 56.93 1ie7 s LYS 29 Cb -0.18 -3.39 -0.09 0.00 -1.68 0.00 0.00 37.83 32.49 1ie7 s LYS 29 CO 0.23 -0.49 0.99 -0.51 -0.76 0.00 0.00 175.35 174.81 1ie7 s LEU 30 N 1.66 3.77 0.00 3.17 1.43 -0.25 -4.58 118.68 123.88 1ie7 s LEU 30 Ca 0.64 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1ie7 s LEU 30 Cb -0.34 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.34 1ie7 s LEU 30 CO 0.29 -0.58 0.00 -0.46 0.23 0.00 0.00 176.35 175.83 1ie7 n ASN 31 N -1.16 0.00 0.12 2.29 0.23 -1.26 -0.91 115.26 114.57 1ie7 n ASN 31 Ca 0.07 -0.86 -0.14 0.00 -0.53 0.00 0.00 54.58 53.13 1ie7 n ASN 31 Cb 0.54 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 1ie7 n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1ie7 h TYR 32 N -0.21 -0.24 -0.25 -2.53 3.20 -1.97 -1.62 116.97 113.34 1ie7 h TYR 32 Ca 0.00 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1ie7 h TYR 32 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1ie7 h TYR 32 CO 0.00 -0.02 -0.37 -1.00 -1.64 0.00 0.00 178.16 175.13 1ie7 h PRO 33 N -0.43 0.57 -0.24 1.82 0.13 -1.99 -1.69 132.00 130.17 1ie7 h PRO 33 Ca -0.03 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1ie7 h PRO 33 Cb 0.33 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1ie7 h PRO 33 CO 0.04 0.85 0.08 0.93 -0.23 0.00 0.00 178.00 179.68 1ie7 h GLU 34 N 0.48 0.37 -0.70 0.86 5.08 -1.92 0.36 114.58 119.11 1ie7 h GLU 34 Ca 0.05 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1ie7 h GLU 34 Cb 0.86 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1ie7 h GLU 34 CO 0.07 0.44 0.15 0.00 -1.00 0.00 0.00 179.01 178.67 1ie7 h ALA 35 N 0.91 0.95 -0.47 3.43 0.00 -0.94 -2.46 119.26 120.68 1ie7 h ALA 35 Ca 0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1ie7 h ALA 35 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ie7 h ALA 35 CO -0.00 0.67 0.08 0.28 0.00 0.00 0.00 179.25 180.27 1ie7 h VAL 36 N 1.06 1.25 -0.48 0.00 2.07 -1.18 -2.16 116.25 116.81 1ie7 h VAL 36 Ca 0.22 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1ie7 h VAL 36 Cb 0.39 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1ie7 h VAL 36 CO 0.01 0.32 0.10 0.00 0.02 0.00 0.00 177.57 178.02 1ie7 h ALA 37 N 0.96 0.53 -0.14 1.67 0.00 0.02 0.47 119.26 122.78 1ie7 h ALA 37 Ca 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ie7 h ALA 37 Cb 0.38 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ie7 h ALA 37 CO 0.01 -0.30 -0.03 0.82 0.00 0.00 0.00 179.25 179.74 1ie7 h ILE 38 N 0.24 1.29 -0.25 0.00 2.04 -1.31 -2.14 117.51 117.37 1ie7 h ILE 38 Ca 0.24 -0.98 -0.19 0.00 1.00 0.00 0.00 64.86 64.93 1ie7 h ILE 38 Cb 0.30 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1ie7 h ILE 38 CO -0.30 0.29 -0.58 0.40 0.00 0.00 0.00 178.15 177.95 1ie7 h ILE 39 N -0.04 1.28 -0.52 -0.67 2.04 -1.15 -1.22 117.51 117.22 1ie7 h ILE 39 Ca 0.04 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 1ie7 h ILE 39 Cb 0.46 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1ie7 h ILE 39 CO 0.01 0.57 0.28 0.74 0.00 0.00 0.00 178.15 179.76 1ie7 h THR 40 N 0.62 1.18 -0.49 -0.27 2.02 -0.67 -2.16 112.91 113.14 1ie7 h THR 40 Ca 0.00 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 1ie7 h THR 40 Cb 1.18 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1ie7 h THR 40 CO 0.12 0.19 -0.10 -1.28 0.37 0.00 0.00 175.52 174.83 1ie7 h SER 41 N 0.70 0.88 -0.56 4.18 0.87 -1.28 -1.33 113.55 117.02 1ie7 h SER 41 Ca 0.18 -0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1ie7 h SER 41 Cb 0.05 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.71 1ie7 h SER 41 CO -0.03 1.00 0.22 0.15 -0.53 0.00 0.00 176.83 177.64 1ie7 h PHE 42 N 0.80 0.39 -0.29 2.24 3.04 -0.90 -0.25 116.94 121.98 1ie7 h PHE 42 Ca 0.13 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1ie7 h PHE 42 Cb 0.61 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1ie7 h PHE 42 CO 0.04 0.13 0.19 0.82 -2.02 0.00 0.00 178.31 177.46 1ie7 h ILE 43 N 0.42 1.09 -0.35 1.41 2.04 -1.01 0.21 117.51 121.31 1ie7 h ILE 43 Ca 0.27 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 1ie7 h ILE 43 Cb 0.29 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1ie7 h ILE 43 CO -0.26 0.08 0.04 0.24 0.00 0.00 0.00 178.15 178.25 1ie7 h MET 44 N 0.39 0.60 -0.41 2.37 2.86 -0.78 -1.87 114.93 118.09 1ie7 h MET 44 Ca 0.11 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1ie7 h MET 44 Cb -0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1ie7 h MET 44 CO -0.02 0.69 0.00 0.93 1.06 0.00 0.00 176.91 179.57 1ie7 h GLU 45 N 0.43 0.66 -0.66 1.72 4.39 -0.94 -2.02 114.58 118.14 1ie7 h GLU 45 Ca 0.10 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1ie7 h GLU 45 Cb 0.40 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 1ie7 h GLU 45 CO 0.01 0.68 0.21 0.78 -1.16 0.00 0.00 179.01 179.52 1ie7 h GLY 46 N 0.92 1.09 1.31 -3.84 0.00 -0.24 0.35 103.07 102.65 1ie7 h GLY 46 Ca 0.13 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1ie7 h GLY 46 CO 0.01 0.58 -0.14 0.00 0.00 0.00 0.00 176.54 177.00 1ie7 h ALA 47 N 1.25 0.93 -0.04 3.60 0.00 -1.18 -2.00 119.26 121.82 1ie7 h ALA 47 Ca 0.22 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1ie7 h ALA 47 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ie7 h ALA 47 CO -0.01 0.62 -0.35 -0.09 0.00 0.00 0.00 179.25 179.42 1ie7 h ARG 48 N 0.72 0.07 0.00 0.00 9.65 -0.88 -0.93 114.38 123.01 1ie7 h ARG 48 Ca 0.12 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1ie7 h ARG 48 Cb 0.64 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1ie7 h ARG 48 CO 0.04 0.41 0.00 -0.25 2.80 0.00 0.00 179.97 182.98 1ie7 n ASP 49 N -4.11 0.51 0.00 -3.80 8.00 0.07 -4.89 116.55 112.33 1ie7 n ASP 49 Ca -0.02 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1ie7 n ASP 49 Cb 0.40 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1ie7 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ie7 n GLY 50 N 0.60 0.92 3.64 0.44 0.00 -0.35 -5.08 105.19 105.35 1ie7 n GLY 50 Ca 0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1ie7 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ie7 s LYS 51 N -0.78 0.46 0.60 1.61 1.02 -0.79 -4.93 119.74 116.93 1ie7 s LYS 51 Ca 0.00 0.90 -0.02 0.00 0.02 0.00 0.00 55.97 56.87 1ie7 s LYS 51 Cb 0.00 -1.71 0.04 0.00 -0.52 0.00 0.00 37.83 35.64 1ie7 s LYS 51 CO 0.00 -2.81 0.87 0.95 -0.92 0.00 0.00 175.35 173.44 1ie7 s THR 52 N -2.75 2.71 0.18 2.17 -4.23 -1.26 -4.73 115.64 107.72 1ie7 s THR 52 Ca 0.66 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1ie7 s THR 52 Cb -0.21 -3.08 0.08 0.00 1.34 0.00 0.00 72.50 70.64 1ie7 s THR 52 CO 0.59 -0.07 1.71 0.58 -0.54 0.00 0.00 174.62 176.90 1ie7 h VAL 53 N -0.18 1.24 -0.49 2.29 2.07 -1.96 -2.13 116.25 117.09 1ie7 h VAL 53 Ca -0.44 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.19 1ie7 h VAL 53 Cb 1.30 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1ie7 h VAL 53 CO 0.56 0.32 0.04 0.00 0.02 0.00 0.00 177.57 178.51 1ie7 h ALA 54 N 1.07 1.14 -0.70 1.67 0.00 -1.99 -0.69 119.26 119.77 1ie7 h ALA 54 Ca 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ie7 h ALA 54 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ie7 h ALA 54 CO -0.01 0.56 0.32 0.52 0.00 0.00 0.00 179.25 180.64 1ie7 h MET 55 N 0.75 1.02 0.00 0.00 2.07 -1.82 -2.60 114.93 114.35 1ie7 h MET 55 Ca 0.15 -0.16 -0.12 0.00 -2.07 0.00 0.00 59.70 57.50 1ie7 h MET 55 Cb 0.40 -0.18 -0.02 0.00 -1.87 0.00 0.00 31.60 29.94 1ie7 h MET 55 CO 0.01 0.82 -0.59 -0.07 1.07 0.00 0.00 176.91 178.15 1ie7 h LEU 56 N 0.98 0.00 -1.04 1.22 3.38 -0.75 0.50 115.31 119.61 1ie7 h LEU 56 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1ie7 h LEU 56 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ie7 h LEU 56 CO -0.03 0.59 0.13 0.24 0.09 0.00 0.00 178.44 179.46 1ie7 h MET 57 N 0.00 0.82 0.02 1.13 2.86 -0.91 -0.55 114.93 118.30 1ie7 h MET 57 Ca -0.01 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1ie7 h MET 57 Cb 1.25 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1ie7 h MET 57 CO 0.08 0.74 -0.01 0.93 1.06 0.00 0.00 176.91 179.71 1ie7 h GLU 58 N 0.79 -0.03 -0.07 1.72 5.08 -1.14 -3.37 114.58 117.57 1ie7 h GLU 58 Ca 0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1ie7 h GLU 58 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ie7 h GLU 58 CO -0.00 0.72 -0.23 0.93 -1.00 0.00 0.00 179.01 179.43 1ie7 h GLU 59 N -0.87 0.11 0.00 2.33 5.08 -0.87 -2.52 114.58 117.84 1ie7 h GLU 59 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ie7 h GLU 59 Cb 0.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ie7 h GLU 59 CO 0.00 0.34 0.00 0.78 -1.00 0.00 0.00 179.01 179.13 1ie7 h GLY 60 N 0.81 0.00 0.60 -3.84 0.00 -1.25 -1.06 103.07 98.33 1ie7 h GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ie7 h GLY 60 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1ie7 n LYS 61 N -2.91 1.14 0.00 4.80 5.02 -0.95 -3.88 118.16 121.38 1ie7 n LYS 61 Ca -0.02 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1ie7 n LYS 61 Cb 0.13 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ie7 n LYS 61 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ie7 n HIS 62 N -0.71 0.00 -0.02 2.13 8.25 -0.41 -4.71 115.22 119.75 1ie7 n HIS 62 Ca 0.21 -0.28 -0.16 0.00 -0.26 0.00 0.00 57.72 57.23 1ie7 n HIS 62 Cb 0.15 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 1ie7 n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ie7 h VAL 63 N 0.86 1.42 -4.18 1.59 2.07 -1.66 -3.46 116.25 112.89 1ie7 h VAL 63 Ca 0.00 -1.90 -0.56 0.00 0.82 0.00 0.00 66.70 65.06 1ie7 h VAL 63 Cb 0.57 2.41 -0.26 0.00 -1.52 0.00 0.00 31.29 32.49 1ie7 h VAL 63 CO 0.00 0.55 -0.84 -0.76 0.02 0.00 0.00 177.57 176.55 1ie7 s LEU 64 N -8.52 2.15 0.47 2.57 1.43 -1.26 -5.10 118.68 110.42 1ie7 s LEU 64 Ca -0.13 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1ie7 s LEU 64 Cb 0.04 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1ie7 s LEU 64 CO 0.81 0.15 0.18 0.42 0.23 0.00 0.00 176.35 178.14 1ie7 s THR 65 N -0.76 1.82 0.47 5.49 -4.23 -1.26 -4.52 115.64 112.65 1ie7 s THR 65 Ca 0.07 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1ie7 s THR 65 Cb -0.08 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.42 1ie7 s THR 65 CO 0.01 0.00 2.05 0.08 -0.54 0.00 0.00 174.62 176.23 1ie7 h ARG 66 N 1.25 0.06 0.00 3.99 0.11 -1.63 -0.85 114.38 117.31 1ie7 h ARG 66 Ca -0.42 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1ie7 h ARG 66 Cb 1.28 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1ie7 h ARG 66 CO 0.68 0.14 0.00 -3.47 0.10 0.00 0.00 179.97 177.43 1ie7 n ASP 67 N -4.42 0.02 0.09 0.08 2.03 -1.26 -2.12 116.55 110.97 1ie7 n ASP 67 Ca -0.02 0.50 0.12 0.00 0.52 0.00 0.00 54.79 55.91 1ie7 n ASP 67 Cb 0.17 -0.51 0.21 0.00 -0.72 0.00 0.00 41.12 40.28 1ie7 n ASP 67 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1ie7 h ASP 68 N 0.00 0.00 -3.05 1.67 3.32 -1.54 -3.48 116.42 113.34 1ie7 h ASP 68 Ca 0.00 -0.12 -0.48 0.00 0.02 0.00 0.00 57.03 56.45 1ie7 h ASP 68 Cb 0.36 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.77 1ie7 h ASP 68 CO 0.00 0.06 -0.64 0.68 -1.72 0.00 0.00 179.24 177.62 1ie7 s VAL 69 N -3.18 1.42 0.71 -1.35 -7.23 -0.90 -1.09 120.40 108.79 1ie7 s VAL 69 Ca 0.07 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 1ie7 s VAL 69 Cb 0.12 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1ie7 s VAL 69 CO 0.69 -0.15 1.12 -0.04 -0.31 0.00 0.00 175.10 176.41 1ie7 s MET 70 N -3.81 2.48 0.31 4.82 -1.94 -0.09 -4.72 119.30 116.35 1ie7 s MET 70 Ca 0.33 1.37 -0.28 0.00 -1.71 0.00 0.00 55.69 55.40 1ie7 s MET 70 Cb 0.07 -1.91 -0.13 0.00 2.01 0.00 0.00 34.83 34.86 1ie7 s MET 70 CO 0.14 -1.50 1.06 -1.91 -0.01 0.00 0.00 175.02 172.80 1ie7 n GLU 71 N -2.87 1.51 0.00 2.03 2.13 -1.26 -2.06 120.64 120.11 1ie7 n GLU 71 Ca 0.10 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1ie7 n GLU 71 Cb 0.52 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1ie7 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ie7 n GLY 72 N 1.13 3.08 0.24 8.31 0.00 -1.26 -4.89 105.19 111.80 1ie7 n GLY 72 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 1ie7 n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ie7 h VAL 73 N 0.00 1.24 -0.47 1.61 2.07 -1.78 -1.70 116.25 117.22 1ie7 h VAL 73 Ca 0.00 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1ie7 h VAL 73 Cb 0.00 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1ie7 h VAL 73 CO 0.00 0.31 0.27 -0.65 0.02 0.00 0.00 177.57 177.52 1ie7 h PRO 74 N 0.69 0.65 0.00 1.57 0.11 -1.86 -2.01 132.00 131.15 1ie7 h PRO 74 Ca 0.15 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.14 1ie7 h PRO 74 Cb 0.35 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1ie7 h PRO 74 CO 0.00 0.51 -0.27 0.93 -0.21 0.00 0.00 178.00 178.96 1ie7 h GLU 75 N 0.62 0.00 0.00 1.05 3.07 -1.81 -3.18 114.58 114.34 1ie7 h GLU 75 Ca 0.17 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1ie7 h GLU 75 Cb 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1ie7 h GLU 75 CO -0.03 0.27 -0.48 0.52 -1.40 0.00 0.00 179.01 177.89 1ie7 h MET 76 N 0.00 0.00 -4.48 2.33 2.86 -0.56 -3.41 114.93 111.67 1ie7 h MET 76 Ca -0.00 0.00 -0.72 0.00 -2.06 0.00 0.00 59.70 56.91 1ie7 h MET 76 Cb 0.65 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.10 1ie7 h MET 76 CO 0.03 0.48 0.08 0.42 1.06 0.00 0.00 176.91 178.99 1ie7 s ILE 77 N -3.69 4.99 0.05 -1.22 1.01 -1.09 -4.90 121.20 116.35 1ie7 s ILE 77 Ca -0.01 -1.31 -0.15 0.00 0.00 0.00 0.00 60.65 59.18 1ie7 s ILE 77 Cb 0.12 -4.47 -0.29 0.00 0.01 0.00 0.00 42.46 37.83 1ie7 s ILE 77 CO 0.72 -1.08 1.10 0.44 0.00 0.00 0.00 174.94 176.12 1ie7 h ASP 78 N 8.95 0.86 -5.06 3.58 3.32 -1.83 -3.40 116.42 122.83 1ie7 h ASP 78 Ca -0.22 -0.82 0.01 0.00 0.02 0.00 0.00 57.03 56.02 1ie7 h ASP 78 Cb 1.08 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.28 1ie7 h ASP 78 CO 1.05 1.59 0.11 1.51 -1.72 0.00 0.00 179.24 181.78 1ie7 s ASP 79 N -7.38 -0.27 -0.05 6.45 1.47 -1.26 0.13 116.67 115.76 1ie7 s ASP 79 Ca -0.10 -0.54 0.02 0.00 1.18 0.00 0.00 52.55 53.12 1ie7 s ASP 79 Cb 0.05 0.64 0.01 0.00 -0.34 0.00 0.00 42.92 43.29 1ie7 s ASP 79 CO 0.93 -1.17 -0.10 -0.63 0.68 0.00 0.00 175.17 174.88 1ie7 s ILE 80 N -3.90 0.92 -0.03 2.11 1.01 0.67 -4.94 121.20 117.04 1ie7 s ILE 80 Ca 0.11 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.46 1ie7 s ILE 80 Cb -0.03 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1ie7 s ILE 80 CO 0.01 0.30 -0.25 -1.10 0.00 0.00 0.00 174.94 173.90 1ie7 s GLN 81 N 0.60 2.12 -0.09 2.79 -0.21 -1.26 -0.48 119.66 123.12 1ie7 s GLN 81 Ca -0.11 -0.90 -0.14 0.00 0.02 0.00 0.00 55.36 54.23 1ie7 s GLN 81 Cb -0.14 -2.00 0.03 0.00 1.00 0.00 0.00 33.01 31.90 1ie7 s GLN 81 CO 0.02 0.51 0.35 0.00 -2.12 0.00 0.00 175.29 174.05 1ie7 s ALA 82 N -0.52 -0.87 -0.13 6.09 0.00 -0.72 -4.99 121.76 120.63 1ie7 s ALA 82 Ca 0.08 0.77 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 1ie7 s ALA 82 Cb -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1ie7 s ALA 82 CO -0.00 -0.21 0.00 -1.21 0.00 0.00 0.00 175.76 174.34 1ie7 s GLU 83 N -0.39 3.42 0.23 0.00 2.02 -1.26 -0.26 118.70 122.46 1ie7 s GLU 83 Ca -0.05 -0.43 -0.09 0.00 0.02 0.00 0.00 54.97 54.42 1ie7 s GLU 83 Cb -0.03 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 1ie7 s GLU 83 CO 0.02 0.46 0.36 0.00 0.02 0.00 0.00 175.26 176.12 1ie7 s ALA 84 N -0.22 0.20 -0.40 5.21 0.00 -0.91 -4.96 121.76 120.68 1ie7 s ALA 84 Ca 0.05 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1ie7 s ALA 84 Cb -0.12 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.15 1ie7 s ALA 84 CO 0.02 -0.76 0.60 0.99 0.00 0.00 0.00 175.76 176.61 1ie7 s THR 85 N -4.06 4.90 0.73 0.00 2.01 -1.26 -1.44 115.64 116.52 1ie7 s THR 85 Ca 0.27 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 1ie7 s THR 85 Cb 0.02 -4.11 0.09 0.00 0.01 0.00 0.00 72.50 68.51 1ie7 s THR 85 CO 0.09 -0.44 1.02 -0.36 -0.69 0.00 0.00 174.62 174.24 1ie7 s PHE 86 N 2.66 2.43 0.32 4.92 0.40 0.17 -4.26 117.98 124.62 1ie7 s PHE 86 Ca 0.21 0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.85 1ie7 s PHE 86 Cb -0.15 -3.23 0.89 0.00 0.51 0.00 0.00 43.02 41.04 1ie7 s PHE 86 CO 0.16 -1.58 1.73 -1.35 0.70 0.00 0.00 175.22 174.87 1ie7 h PRO 87 N -0.65 0.55 -1.05 0.24 0.11 -1.92 -1.23 132.00 128.05 1ie7 h PRO 87 Ca -0.42 -0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.14 1ie7 h PRO 87 Cb 1.29 -0.12 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 1ie7 h PRO 87 CO 0.52 0.36 0.66 -0.40 -0.21 0.00 0.00 178.00 178.93 1ie7 n ASP 88 N -4.90 5.22 0.00 -2.05 5.75 -1.26 -5.06 116.55 114.25 1ie7 n ASP 88 Ca 0.27 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.56 1ie7 n ASP 88 Cb 0.75 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1ie7 n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ie7 n GLY 89 N -0.80 -3.86 3.74 6.12 0.00 -0.47 -4.94 105.19 104.98 1ie7 n GLY 89 Ca 0.53 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1ie7 n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ie7 s THR 90 N -0.86 3.15 0.04 2.61 2.01 -1.26 -0.65 115.64 120.69 1ie7 s THR 90 Ca 0.00 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 1ie7 s THR 90 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1ie7 s THR 90 CO 0.00 0.15 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.52 1ie7 s LYS 91 N -0.21 0.53 -0.14 4.92 -0.14 -0.52 -4.91 119.74 119.27 1ie7 s LYS 91 Ca 0.56 -1.02 -0.15 0.00 -1.36 0.00 0.00 55.97 54.01 1ie7 s LYS 91 Cb -0.37 0.19 -0.05 0.00 -1.68 0.00 0.00 37.83 35.92 1ie7 s LYS 91 CO 0.39 -0.10 0.35 -1.17 -0.76 0.00 0.00 175.35 174.06 1ie7 s LEU 92 N -2.47 4.26 -0.16 3.17 2.96 -1.26 -2.14 118.68 123.04 1ie7 s LEU 92 Ca -0.00 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 1ie7 s LEU 92 Cb 0.02 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1ie7 s LEU 92 CO -0.07 0.07 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.26 1ie7 s VAL 93 N 0.48 3.45 -0.12 1.68 1.01 0.65 -4.99 120.40 122.56 1ie7 s VAL 93 Ca 0.20 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1ie7 s VAL 93 Cb -0.14 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1ie7 s VAL 93 CO 0.06 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1ie7 s THR 94 N 0.54 2.68 -0.35 3.92 2.01 -1.26 -1.75 115.64 121.43 1ie7 s THR 94 Ca -0.05 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 1ie7 s THR 94 Cb -0.15 -2.09 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1ie7 s THR 94 CO 0.03 0.54 0.11 -0.69 -0.69 0.00 0.00 174.62 173.92 1ie7 s VAL 95 N 0.33 3.66 0.07 3.82 1.01 0.36 -4.80 120.40 124.86 1ie7 s VAL 95 Ca -0.14 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 1ie7 s VAL 95 Cb -0.17 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1ie7 s VAL 95 CO 0.07 -0.24 0.86 -1.00 0.00 0.00 0.00 175.10 174.79 1ie7 s HIS 96 N 1.36 3.76 -0.94 5.22 0.09 -1.26 -0.24 115.29 123.28 1ie7 s HIS 96 Ca -0.01 1.63 -0.18 0.00 -0.00 0.00 0.00 55.06 56.49 1ie7 s HIS 96 Cb -0.20 -2.94 0.03 0.00 -0.00 0.00 0.00 32.58 29.46 1ie7 s HIS 96 CO 0.02 0.22 0.58 0.09 -0.00 0.00 0.00 174.74 175.64 1ie7 n ASN 97 N 2.88 -3.91 0.22 1.40 3.02 0.36 -4.83 115.26 114.40 1ie7 n ASN 97 Ca 0.00 -1.05 0.07 0.00 -0.03 0.00 0.00 54.58 53.58 1ie7 n ASN 97 Cb 0.50 -1.41 0.61 0.00 -0.61 0.00 0.00 39.78 38.86 1ie7 n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ie7 h PRO 98 N -1.24 0.08 -5.05 3.52 0.13 -1.79 -3.41 132.00 124.25 1ie7 h PRO 98 Ca -0.61 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.84 1ie7 h PRO 98 Cb 1.26 -0.02 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 1ie7 h PRO 98 CO 0.41 0.06 -0.82 0.42 -0.23 0.00 0.00 178.00 177.83 1ie7 s ILE 99 N -5.13 2.45 0.00 -3.56 1.01 -1.26 -4.33 121.20 110.37 1ie7 s ILE 99 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ie7 s ILE 99 Cb 0.17 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1ie7 s ILE 99 CO 0.68 0.51 0.00 -1.54 0.00 0.00 0.00 174.94 174.59