#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq3 h SER 2 N 0.00 -0.92 -2.04 1.61 0.87 -1.96 -3.39 113.55 107.73 1iq3 h SER 2 Ca 0.00 0.09 -0.58 0.00 -1.23 0.00 0.00 61.79 60.07 1iq3 h SER 2 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1iq3 h SER 2 CO 0.00 -0.45 1.44 0.18 -0.53 0.00 0.00 176.83 177.47 1iq3 n LEU 3 N -5.43 3.43 -4.60 2.23 7.99 -1.26 -4.87 117.00 114.49 1iq3 n LEU 3 Ca -0.08 0.36 -0.43 0.00 -0.01 0.00 0.00 56.01 55.85 1iq3 n LEU 3 Cb 0.34 -1.54 -0.03 0.00 -0.11 0.00 0.00 43.42 42.08 1iq3 n LEU 3 CO 0.26 -0.49 1.59 -1.58 -1.51 0.00 0.00 177.39 175.66 1iq3 s GLN 4 N 5.94 3.26 -0.25 3.23 0.74 -1.26 -4.94 119.66 126.37 1iq3 s GLN 4 Ca 0.99 1.49 -0.01 0.00 0.05 0.00 0.00 55.36 57.88 1iq3 s GLN 4 Cb -0.37 -4.24 0.08 0.00 1.10 0.00 0.00 33.01 29.58 1iq3 s GLN 4 CO 0.37 -1.95 0.03 -0.51 -0.55 0.00 0.00 175.29 172.68 1iq3 s ASP 5 N 6.61 3.67 1.09 6.67 1.11 -1.26 -5.13 116.67 129.42 1iq3 s ASP 5 Ca 0.83 -1.27 -0.13 0.00 0.18 0.00 0.00 52.55 52.15 1iq3 s ASP 5 Cb -0.24 -0.92 0.19 0.00 1.07 0.00 0.00 42.92 43.03 1iq3 s ASP 5 CO 0.33 -0.32 0.88 0.59 1.18 0.00 0.00 175.17 177.83 1iq3 n ASN 6 N 4.82 -0.85 -3.52 0.27 4.13 -1.26 -5.10 115.26 113.76 1iq3 n ASN 6 Ca -0.07 -1.17 -0.16 0.00 1.68 0.00 0.00 54.58 54.86 1iq3 n ASN 6 Cb 0.44 -0.73 -0.05 0.00 -1.54 0.00 0.00 39.78 37.90 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1iq3 s SER 7 N -4.09 -0.60 -0.04 6.41 1.04 -1.26 -5.05 113.70 110.11 1iq3 s SER 7 Ca 0.53 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.51 1iq3 s SER 7 Cb -0.03 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.72 1iq3 s SER 7 CO 0.39 -0.69 0.98 -0.24 0.98 0.00 0.00 173.24 174.66 1iq3 n SER 8 N 0.61 1.01 -3.82 7.02 2.88 -1.26 -5.07 113.62 114.98 1iq3 n SER 8 Ca -0.19 -2.21 -0.10 0.00 -1.33 0.00 0.00 58.87 55.04 1iq3 n SER 8 Cb 0.59 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.77 1iq3 n SER 8 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1iq3 s TYR 9 N -1.07 0.10 0.00 0.66 1.13 -1.26 -5.16 117.35 111.75 1iq3 s TYR 9 Ca 0.11 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 1iq3 s TYR 9 Cb 0.09 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 1iq3 s TYR 9 CO 0.01 -0.77 0.00 -2.30 -2.51 0.00 0.00 175.55 169.98 1iq3 n PRO 10 N -0.25 1.35 -3.75 -3.49 -0.02 -1.26 -4.92 135.00 122.66 1iq3 n PRO 10 Ca -0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.03 1iq3 n PRO 10 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 34.01 1iq3 n PRO 10 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1iq3 s ASP 11 N -2.18 5.24 0.40 2.55 1.47 -1.26 -4.90 116.67 117.98 1iq3 s ASP 11 Ca 0.00 -3.22 0.22 0.00 1.18 0.00 0.00 52.55 50.72 1iq3 s ASP 11 Cb 0.00 -1.81 0.59 0.00 -0.34 0.00 0.00 42.92 41.36 1iq3 s ASP 11 CO 0.00 -0.27 1.68 1.05 0.68 0.00 0.00 175.17 178.32 1iq3 h GLU 12 N 6.49 0.00 -0.33 2.11 -0.00 -2.03 -3.28 114.58 117.54 1iq3 h GLU 12 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 1iq3 h GLU 12 Cb 0.88 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.62 1iq3 h GLU 12 CO 0.74 0.25 0.21 -1.35 -0.00 0.00 0.00 179.01 178.86 1iq3 h PRO 13 N 0.00 0.44 -1.00 1.06 0.11 -1.99 -2.44 132.00 128.18 1iq3 h PRO 13 Ca -0.00 -0.03 0.26 0.00 0.11 0.00 0.00 66.00 66.34 1iq3 h PRO 13 Cb 0.97 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 31.85 1iq3 h PRO 13 CO 0.03 0.31 0.58 -1.49 -0.21 0.00 0.00 178.00 177.22 1iq3 h TRP 14 N 0.43 0.99 -6.24 0.65 -0.00 -2.00 -3.46 115.95 106.32 1iq3 h TRP 14 Ca 0.12 0.04 -0.06 0.00 -0.00 0.00 0.00 58.89 58.98 1iq3 h TRP 14 Cb -0.02 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 28.86 1iq3 h TRP 14 CO -0.05 0.01 -1.02 -2.13 -0.00 0.00 0.00 178.44 175.25 1iq3 n ARG 15 N -4.93 -0.92 0.00 0.49 3.00 -0.92 -4.83 116.66 108.55 1iq3 n ARG 15 Ca 0.28 1.12 0.00 0.00 -0.00 0.00 0.00 57.85 59.25 1iq3 n ARG 15 Cb 0.79 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 31.52 1iq3 n ARG 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1iq3 n ILE 16 N 0.96 0.00 -2.39 5.15 3.06 -1.26 -4.98 119.36 119.91 1iq3 n ILE 16 Ca -0.01 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.21 1iq3 n ILE 16 Cb 0.47 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.63 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1iq3 n THR 17 N -2.32-12.57 -1.97 9.51 -2.24 -1.26 -3.59 114.28 99.83 1iq3 n THR 17 Ca 0.00 2.81 -0.00 0.00 -2.27 0.00 0.00 64.05 64.59 1iq3 n THR 17 Cb 0.00 -6.15 -0.00 0.00 -2.10 0.00 0.00 70.33 62.08 1iq3 n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iq3 n GLU 18 N 1.66 -2.28 -0.06 -0.78 1.02 -1.26 -4.61 120.64 114.33 1iq3 n GLU 18 Ca -0.20 0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 56.88 1iq3 n GLU 18 Cb 0.31 -4.35 -0.07 0.00 -0.02 0.00 0.00 31.44 27.30 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iq3 n GLU 19 N -1.99 1.02 -0.03 3.49 -0.58 -1.24 -4.37 120.64 116.94 1iq3 n GLU 19 Ca -0.01 0.05 0.01 0.00 -0.42 0.00 0.00 57.16 56.79 1iq3 n GLU 19 Cb 0.33 -1.28 -0.10 0.00 -0.57 0.00 0.00 31.44 29.82 1iq3 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iq3 n GLN 20 N -2.73 1.15 0.22 3.49 10.64 -1.26 -4.34 117.38 124.55 1iq3 n GLN 20 Ca -0.22 -0.07 0.15 0.00 -1.83 0.00 0.00 57.00 55.03 1iq3 n GLN 20 Cb 0.80 -1.31 0.52 0.00 -0.86 0.00 0.00 30.24 29.39 1iq3 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1iq3 h ARG 21 N 0.00 0.00 -0.01 2.61 3.08 -1.92 -1.94 114.38 116.20 1iq3 h ARG 21 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1iq3 h ARG 21 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1iq3 h ARG 21 CO 0.01 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 179.83 1iq3 h GLU 22 N 0.00 0.03 -0.03 0.04 4.39 -1.76 -2.13 114.58 115.12 1iq3 h GLU 22 Ca 0.00 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.44 1iq3 h GLU 22 Cb 0.60 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1iq3 h GLU 22 CO 0.00 0.51 -0.95 -0.92 -1.16 0.00 0.00 179.01 176.49 1iq3 h TYR 23 N -0.45 0.89 -0.60 4.33 5.03 -1.78 -2.88 116.97 121.51 1iq3 h TYR 23 Ca 0.00 -0.46 0.04 0.00 2.58 0.00 0.00 58.73 60.89 1iq3 h TYR 23 Cb 0.51 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.64 1iq3 h TYR 23 CO 0.10 1.29 0.35 1.88 -1.32 0.00 0.00 178.16 180.46 1iq3 h TYR 24 N 0.36 0.65 -0.51 -3.82 0.05 -1.41 -2.38 116.97 109.91 1iq3 h TYR 24 Ca -0.10 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.63 1iq3 h TYR 24 Cb 1.59 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 39.11 1iq3 h TYR 24 CO 0.08 0.35 0.01 0.28 -1.05 0.00 0.00 178.16 177.84 1iq3 h VAL 25 N 0.68 1.26 -0.07 -2.88 2.07 -1.42 -2.31 116.25 113.59 1iq3 h VAL 25 Ca 0.25 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1iq3 h VAL 25 Cb 0.07 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1iq3 h VAL 25 CO -0.12 0.38 0.47 0.78 0.02 0.00 0.00 177.57 179.09 1iq3 h ASN 26 N 0.76 0.00 0.09 0.57 4.21 -1.19 0.96 115.58 120.97 1iq3 h ASN 26 Ca 0.15 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.36 1iq3 h ASN 26 Cb 0.50 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1iq3 h ASN 26 CO 0.02 0.00 -1.57 -0.61 -1.29 0.00 0.00 177.43 173.99 1iq3 h GLN 27 N 0.00 0.19 0.00 0.81 5.75 -1.33 -3.31 115.11 117.22 1iq3 h GLN 27 Ca 0.03 -0.33 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1iq3 h GLN 27 Cb 0.97 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1iq3 h GLN 27 CO -0.00 1.16 0.00 0.34 -2.65 0.00 0.00 178.83 177.68 1iq3 n PHE 28 N -3.90 0.56 0.13 3.99 -0.00 0.14 -2.52 117.46 115.86 1iq3 n PHE 28 Ca -0.29 0.23 -0.21 0.00 -0.00 0.00 0.00 57.45 57.17 1iq3 n PHE 28 Cb 0.90 -0.87 -0.15 0.00 -0.00 0.00 0.00 39.48 39.36 1iq3 n PHE 28 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1iq3 h ARG 29 N 0.00 0.44 -1.49 -4.13 2.43 -1.12 -1.77 114.38 108.75 1iq3 h ARG 29 Ca 0.00 -0.75 0.43 0.00 -0.81 0.00 0.00 59.98 58.85 1iq3 h ARG 29 Cb 0.30 0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1iq3 h ARG 29 CO 0.00 1.36 1.16 0.66 -1.51 0.00 0.00 179.97 181.64 1iq3 h SER 30 N 0.12 0.00 0.00 -3.80 4.64 -1.58 0.10 113.55 113.04 1iq3 h SER 30 Ca -0.21 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.91 1iq3 h SER 30 Cb 2.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.14 1iq3 h SER 30 CO 0.25 0.00 -1.76 0.18 -0.87 0.00 0.00 176.83 174.62 1iq3 n LEU 31 N -3.88 0.03 -4.27 5.97 4.32 -1.23 -4.91 117.00 113.05 1iq3 n LEU 31 Ca 0.33 -0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.95 1iq3 n LEU 31 Cb 1.62 0.27 -0.13 0.00 -1.62 0.00 0.00 43.42 43.56 1iq3 n LEU 31 CO 0.39 0.28 -0.31 -1.58 -1.22 0.00 0.00 177.39 174.95 1iq3 s GLN 32 N -2.27 2.78 0.06 3.23 2.00 0.36 -4.98 119.66 120.84 1iq3 s GLN 32 Ca -0.06 -1.05 -0.22 0.00 -2.00 0.00 0.00 55.36 52.03 1iq3 s GLN 32 Cb 0.03 -3.30 -0.13 0.00 0.80 0.00 0.00 33.01 30.42 1iq3 s GLN 32 CO 0.45 -0.54 1.55 -1.00 -0.50 0.00 0.00 175.29 175.26 1iq3 h PRO 33 N 8.15 0.18 -6.65 1.67 0.13 -1.87 -3.37 132.00 130.24 1iq3 h PRO 33 Ca -0.27 -0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.29 1iq3 h PRO 33 Cb 1.10 -0.02 0.05 0.00 0.13 0.00 0.00 31.00 32.26 1iq3 h PRO 33 CO 0.59 0.35 0.94 -0.51 -0.23 0.00 0.00 178.00 179.14 1iq3 s ASP 34 N -5.58 6.47 0.15 1.44 1.11 -1.26 -4.89 116.67 114.10 1iq3 s ASP 34 Ca -0.14 2.77 -0.16 0.00 0.18 0.00 0.00 52.55 55.20 1iq3 s ASP 34 Cb 0.06 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.46 1iq3 s ASP 34 CO 0.70 -0.90 1.80 -0.65 1.18 0.00 0.00 175.17 177.29 1iq3 h PRO 35 N 6.59 0.54 -2.45 8.23 0.11 -2.00 -3.21 132.00 139.81 1iq3 h PRO 35 Ca -0.43 -0.04 -0.71 0.00 0.11 0.00 0.00 66.00 64.92 1iq3 h PRO 35 Cb 1.20 -0.12 -0.34 0.00 0.11 0.00 0.00 31.00 31.85 1iq3 h PRO 35 CO 0.92 0.38 0.22 0.45 -0.21 0.00 0.00 178.00 179.76 1iq3 n SER 36 N -4.78 5.59 -1.47 -2.05 2.88 -1.26 -4.91 113.62 107.62 1iq3 n SER 36 Ca 0.01 -3.54 0.00 0.00 -1.33 0.00 0.00 58.87 54.01 1iq3 n SER 36 Cb 0.04 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1iq3 n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iq3 n SER 37 N 0.58 1.08 -4.25 -3.46 7.64 -1.21 -4.88 113.62 109.12 1iq3 n SER 37 Ca 0.33 -0.96 -0.27 0.00 1.01 0.00 0.00 58.87 58.98 1iq3 n SER 37 Cb 0.35 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.40 1iq3 n SER 37 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iq3 s PHE 38 N -1.39 1.94 0.44 1.43 -0.12 -1.26 -0.77 117.98 118.25 1iq3 s PHE 38 Ca 0.00 -0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 56.47 1iq3 s PHE 38 Cb 0.00 -1.22 -0.03 0.00 -0.63 0.00 0.00 43.02 41.14 1iq3 s PHE 38 CO 0.00 0.02 0.71 0.42 -0.05 0.00 0.00 175.22 176.32 1iq3 s ILE 39 N -0.62 4.95 1.09 -4.49 1.01 -0.22 -4.72 121.20 118.20 1iq3 s ILE 39 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1iq3 s ILE 39 Cb -0.09 -3.86 0.24 0.00 0.01 0.00 0.00 42.46 38.77 1iq3 s ILE 39 CO 0.00 -0.75 1.06 -0.44 0.00 0.00 0.00 174.94 174.81 1iq3 s SER 40 N -4.09 1.67 0.00 3.58 0.01 -1.26 -1.60 113.70 112.01 1iq3 s SER 40 Ca 0.45 1.43 0.00 0.00 1.31 0.00 0.00 55.95 59.14 1iq3 s SER 40 Cb -0.10 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1iq3 s SER 40 CO 0.42 -3.76 0.00 0.61 0.41 0.00 0.00 173.24 170.92 1iq3 n GLY 41 N 0.07 0.82 0.44 3.44 0.00 0.25 -2.55 105.19 107.66 1iq3 n GLY 41 Ca 0.04 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.42 1iq3 n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iq3 h SER 42 N 0.00 0.26 -0.03 1.61 0.02 -1.96 0.36 113.55 113.82 1iq3 h SER 42 Ca 0.00 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1iq3 h SER 42 Cb 0.00 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1iq3 h SER 42 CO 0.00 -0.24 -0.12 0.58 -1.14 0.00 0.00 176.83 175.91 1iq3 h VAL 43 N 0.07 0.69 -0.11 2.27 2.07 -1.94 0.40 116.25 119.70 1iq3 h VAL 43 Ca 0.83 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 68.24 1iq3 h VAL 43 Cb 2.53 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1iq3 h VAL 43 CO -0.50 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 176.65 1iq3 h ALA 44 N 0.80 1.04 0.00 1.67 0.00 -0.03 -2.40 119.26 120.35 1iq3 h ALA 44 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1iq3 h ALA 44 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1iq3 h ALA 44 CO -0.14 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.36 1iq3 n LYS 45 N -4.00 0.03 -0.03 0.00 5.02 -0.65 -1.36 118.16 117.18 1iq3 n LYS 45 Ca -0.02 0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 1iq3 n LYS 45 Cb 0.51 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1iq3 n LYS 45 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1iq3 h ASN 46 N 0.00 0.37 0.44 4.39 -1.24 -0.39 -3.35 115.58 115.81 1iq3 h ASN 46 Ca 0.00 -0.68 -0.23 0.00 0.71 0.00 0.00 56.30 56.10 1iq3 h ASN 46 Cb 0.39 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 1iq3 h ASN 46 CO 0.00 1.00 -1.74 2.22 -1.29 0.00 0.00 177.43 177.61 1iq3 n PHE 47 N -4.43 0.70 -0.25 0.67 1.16 -1.20 -4.43 117.46 109.68 1iq3 n PHE 47 Ca -0.09 0.24 -0.07 0.00 -1.87 0.00 0.00 57.45 55.66 1iq3 n PHE 47 Cb 0.52 -1.04 -0.06 0.00 -1.61 0.00 0.00 39.48 37.28 1iq3 n PHE 47 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1iq3 h PHE 48 N 0.00 -1.18 -1.00 2.97 -1.00 -1.34 -1.89 116.94 113.50 1iq3 h PHE 48 Ca -0.26 0.08 -0.74 0.00 2.81 0.00 0.00 57.97 59.86 1iq3 h PHE 48 Cb 1.78 0.59 -0.12 0.00 3.61 0.00 0.00 35.95 41.81 1iq3 h PHE 48 CO 0.00 -0.24 2.39 -2.37 -1.61 0.00 0.00 178.31 176.48 1iq3 n THR 49 N -4.40 4.26 -0.17 -1.55 5.66 -1.26 -4.79 114.28 112.02 1iq3 n THR 49 Ca 0.01 -4.02 -0.05 0.00 -3.05 0.00 0.00 64.05 56.95 1iq3 n THR 49 Cb 0.17 -2.39 0.01 0.00 -1.55 0.00 0.00 70.33 66.57 1iq3 n THR 49 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1iq3 h LYS 50 N 5.63 -0.15 -1.12 1.09 3.64 -1.60 -3.16 116.57 120.91 1iq3 h LYS 50 Ca 0.49 0.01 -0.43 0.00 -1.27 0.00 0.00 60.65 59.45 1iq3 h LYS 50 Cb 0.58 0.03 -0.41 0.00 -0.41 0.00 0.00 32.23 32.03 1iq3 h LYS 50 CO 1.68 -0.10 -1.05 -1.13 -2.27 0.00 0.00 179.45 176.58 1iq3 n SER 51 N -5.43 2.50 -2.56 4.20 3.41 -1.26 -4.94 113.62 109.54 1iq3 n SER 51 Ca 0.04 -3.00 -0.04 0.00 -0.26 0.00 0.00 58.87 55.61 1iq3 n SER 51 Cb 0.34 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1iq3 n SER 51 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iq3 n LYS 52 N -0.23 -2.60 0.00 4.33 2.85 -1.20 -4.37 118.16 116.95 1iq3 n LYS 52 Ca 0.19 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 1iq3 n LYS 52 Cb 0.78 -4.15 0.00 0.00 -0.65 0.00 0.00 35.03 31.00 1iq3 n LYS 52 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1iq3 n LEU 53 N -2.46 0.00 0.00 -5.58 4.32 -1.26 -0.99 117.00 111.03 1iq3 n LEU 53 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1iq3 n LEU 53 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1iq3 n LEU 53 CO 0.10 0.00 0.12 -0.24 -1.22 0.00 0.00 177.39 176.15 1iq3 n SER 54 N 2.96 0.22 -3.54 -1.43 2.88 -1.26 -5.06 113.62 108.39 1iq3 n SER 54 Ca 0.00 -1.05 -0.01 0.00 -1.33 0.00 0.00 58.87 56.48 1iq3 n SER 54 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1iq3 s ILE 55 N -0.05 -0.28 -0.27 2.46 2.07 -0.16 -5.10 121.20 119.87 1iq3 s ILE 55 Ca 0.00 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 1iq3 s ILE 55 Cb 0.00 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.52 1iq3 s ILE 55 CO 0.00 0.00 2.23 -2.65 -1.91 0.00 0.00 174.94 172.61 1iq3 n PRO 56 N 4.39 1.67 -1.72 3.50 -0.02 -1.26 -4.67 135.00 136.89 1iq3 n PRO 56 Ca -0.14 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 61.76 1iq3 n PRO 56 Cb 0.55 -3.02 0.04 0.00 -0.02 0.00 0.00 33.50 31.05 1iq3 n PRO 56 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iq3 n GLU 57 N 8.62 0.53 0.00 -0.52 2.13 -1.26 -4.95 120.64 125.18 1iq3 n GLU 57 Ca 0.34 -0.65 0.07 0.00 0.66 0.00 0.00 57.16 57.57 1iq3 n GLU 57 Cb 0.39 0.33 0.37 0.00 0.27 0.00 0.00 31.44 32.80 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1iq3 n LEU 58 N -0.60 0.00 -0.13 4.31 7.99 -1.26 -3.22 117.00 124.08 1iq3 n LEU 58 Ca -0.12 0.22 -0.08 0.00 -0.01 0.00 0.00 56.01 56.02 1iq3 n LEU 58 Cb 0.65 -0.22 -0.00 0.00 -0.11 0.00 0.00 43.42 43.74 1iq3 n LEU 58 CO -0.09 -0.12 0.99 -1.28 -1.51 0.00 0.00 177.39 175.39 1iq3 h SER 59 N 0.00 0.50 0.95 -1.43 0.87 -1.99 -1.83 113.55 110.62 1iq3 h SER 59 Ca 0.00 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 1iq3 h SER 59 Cb 0.10 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1iq3 h SER 59 CO 0.00 0.43 -0.67 0.10 -0.53 0.00 0.00 176.83 176.16 1iq3 h TYR 60 N 0.52 0.00 -0.56 2.24 -0.00 -1.98 -2.16 116.97 115.03 1iq3 h TYR 60 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.78 1iq3 h TYR 60 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.74 1iq3 h TYR 60 CO -0.03 0.67 -0.00 0.82 -0.00 0.00 0.00 178.16 179.62 1iq3 h ILE 61 N 0.00 1.26 0.04 -0.90 1.08 -1.62 -2.95 117.51 114.42 1iq3 h ILE 61 Ca -0.01 -1.13 -0.20 0.00 -0.39 0.00 0.00 64.86 63.13 1iq3 h ILE 61 Cb 1.33 0.88 0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1iq3 h ILE 61 CO 0.09 0.40 -0.81 -0.25 -0.69 0.00 0.00 178.15 176.89 1iq3 h TRP 62 N 0.87 0.75 -1.12 1.37 2.91 -1.35 -2.42 115.95 116.96 1iq3 h TRP 62 Ca 0.16 -0.43 0.31 0.00 1.13 0.00 0.00 58.89 60.06 1iq3 h TRP 62 Cb 0.55 -0.07 -0.09 0.00 -0.51 0.00 0.00 29.16 29.04 1iq3 h TRP 62 CO 0.04 1.27 0.75 0.93 -1.03 0.00 0.00 178.44 180.40 1iq3 h GLU 63 N 0.01 0.24 0.00 2.65 5.08 -1.35 0.52 114.58 121.73 1iq3 h GLU 63 Ca -0.11 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.02 1iq3 h GLU 63 Cb 1.53 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.69 1iq3 h GLU 63 CO 0.16 0.16 -1.37 -0.07 -1.00 0.00 0.00 179.01 176.88 1iq3 h LEU 64 N 0.25 0.00 -1.40 1.33 3.38 -1.51 -3.31 115.31 114.05 1iq3 h LEU 64 Ca 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 1iq3 h LEU 64 Cb 1.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 1iq3 h LEU 64 CO -0.24 0.77 -0.07 -1.28 0.09 0.00 0.00 178.44 177.72 1iq3 h SER 65 N 0.00 0.00 -3.34 -0.43 0.87 0.48 -3.37 113.55 107.76 1iq3 h SER 65 Ca -0.17 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.76 1iq3 h SER 65 Cb 1.74 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.50 1iq3 h SER 65 CO 0.07 0.07 -0.63 -1.81 -0.53 0.00 0.00 176.83 174.00 1iq3 s ASP 66 N -5.85 5.07 0.00 6.23 1.11 -0.28 -4.71 116.67 118.23 1iq3 s ASP 66 Ca 0.01 -0.08 0.22 0.00 0.18 0.00 0.00 52.55 52.87 1iq3 s ASP 66 Cb 0.09 -1.85 0.66 0.00 1.07 0.00 0.00 42.92 42.90 1iq3 s ASP 66 CO 0.57 0.14 1.51 0.00 1.18 0.00 0.00 175.17 178.57 1iq3 n ALA 67 N 3.74 2.50 -1.62 5.23 0.00 -1.26 -4.27 120.51 124.82 1iq3 n ALA 67 Ca -0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 53.44 52.61 1iq3 n ALA 67 Cb 0.52 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1iq3 n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iq3 n ASP 68 N 0.65 -0.28 -2.44 0.00 5.68 -1.26 -4.96 116.55 113.94 1iq3 n ASP 68 Ca 0.17 -0.74 -0.03 0.00 -0.50 0.00 0.00 54.79 53.69 1iq3 n ASP 68 Cb 0.41 0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.47 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iq3 n ASP 70 N -1.39 0.31 0.00 0.00 5.75 -1.26 -4.83 116.55 115.12 1iq3 n ASP 70 Ca 0.01 0.60 0.00 0.00 -0.01 0.00 0.00 54.79 55.39 1iq3 n ASP 70 Cb 0.44 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1iq3 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iq3 n GLY 71 N -0.51 2.98 3.97 6.12 0.00 -1.26 -5.02 105.19 111.47 1iq3 n GLY 71 Ca 0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1iq3 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq3 s ALA 72 N -2.38 3.93 -0.20 4.61 0.00 -1.26 0.84 121.76 127.30 1iq3 s ALA 72 Ca 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 1iq3 s ALA 72 Cb 0.00 -1.73 0.07 0.00 0.00 0.00 0.00 23.12 21.47 1iq3 s ALA 72 CO 0.00 0.24 0.12 -0.51 0.00 0.00 0.00 175.76 175.61 1iq3 s LEU 73 N -3.98 0.30 1.42 0.00 1.02 -0.63 -4.86 118.68 111.95 1iq3 s LEU 73 Ca 0.34 -0.69 -0.23 0.00 0.02 0.00 0.00 54.13 53.58 1iq3 s LEU 73 Cb -0.09 -0.15 0.37 0.00 0.02 0.00 0.00 46.19 46.34 1iq3 s LEU 73 CO 0.29 -0.36 0.93 0.42 0.02 0.00 0.00 176.35 177.64 1iq3 s THR 74 N 2.17 1.22 0.14 5.49 -4.23 -1.26 -1.05 115.64 118.11 1iq3 s THR 74 Ca 0.04 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.36 1iq3 s THR 74 Cb -0.16 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1iq3 s THR 74 CO -0.15 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 175.87 1iq3 h LEU 75 N -3.43 -0.27 -1.99 4.79 5.85 -1.29 0.70 115.31 119.66 1iq3 h LEU 75 Ca -0.44 0.08 0.21 0.00 0.84 0.00 0.00 57.88 58.57 1iq3 h LEU 75 Cb 1.34 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.51 1iq3 h LEU 75 CO 0.29 -0.10 0.55 -0.65 -0.34 0.00 0.00 178.44 178.19 1iq3 h PRO 76 N -0.03 0.00 0.03 5.25 0.11 -1.89 0.24 132.00 135.71 1iq3 h PRO 76 Ca 0.12 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.01 1iq3 h PRO 76 Cb 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1iq3 h PRO 76 CO -0.26 0.00 -0.97 0.93 -0.21 0.00 0.00 178.00 177.49 1iq3 h GLU 77 N 0.00 0.27 0.00 1.05 5.08 -1.16 -3.13 114.58 116.69 1iq3 h GLU 77 Ca 0.35 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1iq3 h GLU 77 Cb 1.45 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1iq3 h GLU 77 CO -0.00 1.05 0.00 0.34 -1.00 0.00 0.00 179.01 179.40 1iq3 n PHE 78 N -3.65 0.85 0.11 4.33 -0.00 0.70 -2.94 117.46 116.86 1iq3 n PHE 78 Ca -0.05 0.25 -0.13 0.00 -0.00 0.00 0.00 57.45 57.52 1iq3 n PHE 78 Cb 0.86 -0.91 -0.08 0.00 -0.00 0.00 0.00 39.48 39.35 1iq3 n PHE 78 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1iq3 h ALA 80 N 0.06 0.32 -0.23 0.00 0.00 -1.67 -1.63 119.26 116.10 1iq3 h ALA 80 Ca -0.03 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.29 1iq3 h ALA 80 Cb 0.46 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1iq3 h ALA 80 CO 0.05 0.72 -0.11 0.00 0.00 0.00 0.00 179.25 179.90 1iq3 h ALA 81 N 0.61 0.07 -0.00 0.00 0.00 -1.59 -1.83 119.26 116.52 1iq3 h ALA 81 Ca -0.07 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1iq3 h ALA 81 Cb 1.49 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 1iq3 h ALA 81 CO 0.17 -0.53 -0.77 0.35 0.00 0.00 0.00 179.25 178.46 1iq3 h PHE 82 N -0.09 0.09 0.00 0.00 3.57 -1.48 -3.01 116.94 116.02 1iq3 h PHE 82 Ca 0.12 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1iq3 h PHE 82 Cb 0.27 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1iq3 h PHE 82 CO -0.28 0.81 0.00 0.45 -2.23 0.00 0.00 178.31 177.05 1iq3 h HIS 83 N 0.04 0.00 0.00 0.41 3.86 -0.55 -2.82 115.15 116.09 1iq3 h HIS 83 Ca -0.02 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.93 1iq3 h HIS 83 Cb 1.36 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.79 1iq3 h HIS 83 CO 0.01 0.00 -1.46 1.28 0.86 0.00 0.00 177.93 178.62 1iq3 n LEU 84 N -2.87 1.87 0.11 2.43 4.77 -0.76 -3.14 117.00 119.41 1iq3 n LEU 84 Ca -0.01 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1iq3 n LEU 84 Cb 0.14 -0.94 -0.09 0.00 -2.33 0.00 0.00 43.42 40.20 1iq3 n LEU 84 CO 0.20 0.31 0.51 0.40 -1.33 0.00 0.00 177.39 177.48 1iq3 h ILE 85 N -1.00 0.00 0.00 -0.08 2.04 -1.46 -0.54 117.51 116.48 1iq3 h ILE 85 Ca -0.40 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1iq3 h ILE 85 Cb 1.34 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1iq3 h ILE 85 CO -0.24 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.43 1iq3 h VAL 86 N -0.67 0.71 -1.02 1.67 2.07 -1.72 -2.62 116.25 114.67 1iq3 h VAL 86 Ca -0.01 -0.24 0.27 0.00 0.82 0.00 0.00 66.70 67.54 1iq3 h VAL 86 Cb 0.66 1.15 -0.13 0.00 -1.52 0.00 0.00 31.29 31.45 1iq3 h VAL 86 CO -0.24 0.06 0.61 0.00 0.02 0.00 0.00 177.57 178.02 1iq3 h ALA 87 N 1.94 1.90 -0.19 1.67 0.00 -1.04 0.16 119.26 123.70 1iq3 h ALA 87 Ca -0.00 0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1iq3 h ALA 87 Cb 0.14 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1iq3 h ALA 87 CO 0.01 -0.40 -0.72 0.00 0.00 0.00 0.00 179.25 178.14 1iq3 h ARG 88 N 0.50 0.80 -0.56 0.00 3.08 -1.44 -2.58 114.38 114.17 1iq3 h ARG 88 Ca 0.66 -0.61 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1iq3 h ARG 88 Cb 1.38 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.52 1iq3 h ARG 88 CO -0.48 1.23 0.37 -0.22 -1.07 0.00 0.00 179.97 179.80 1iq3 h LYS 89 N 0.57 0.73 0.00 0.04 3.11 -0.83 -0.57 116.57 119.62 1iq3 h LYS 89 Ca -0.03 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1iq3 h LYS 89 Cb 1.34 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1iq3 h LYS 89 CO 0.15 0.48 -0.01 -0.91 -2.81 0.00 0.00 179.45 176.35 1iq3 h ASN 90 N 0.75 0.00 0.00 4.20 2.35 -1.25 -3.46 115.58 118.17 1iq3 h ASN 90 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1iq3 h ASN 90 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1iq3 h ASN 90 CO -0.05 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.36 1iq3 n GLY 91 N 0.28 0.67 3.46 2.83 0.00 -0.22 -5.04 105.19 107.17 1iq3 n GLY 91 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1iq3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iq3 n TYR 92 N -0.01 0.79 -2.10 1.61 4.01 -0.98 -4.75 117.16 115.73 1iq3 n TYR 92 Ca 0.00 0.42 -0.34 0.00 -0.16 0.00 0.00 57.90 57.82 1iq3 n TYR 92 Cb 0.00 -2.40 -0.04 0.00 -0.31 0.00 0.00 39.34 36.59 1iq3 n TYR 92 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1iq3 s PRO 93 N 8.29 2.68 -0.42 -0.72 0.04 -1.26 -4.23 135.00 139.38 1iq3 s PRO 93 Ca 1.28 0.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.27 1iq3 s PRO 93 Cb -1.18 -4.72 0.05 0.00 0.04 0.00 0.00 34.50 28.69 1iq3 s PRO 93 CO 0.50 -2.95 0.29 -1.17 0.04 0.00 0.00 177.00 173.71 1iq3 s LEU 94 N 9.10 5.17 0.14 -3.56 2.96 -1.26 -4.71 118.68 126.52 1iq3 s LEU 94 Ca 0.65 -1.20 -0.23 0.00 -0.22 0.00 0.00 54.13 53.14 1iq3 s LEU 94 Cb -0.09 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1iq3 s LEU 94 CO 0.09 -0.51 1.64 -0.65 -1.32 0.00 0.00 176.35 175.60 1iq3 h PRO 95 N 8.56 -0.26 -1.14 0.98 0.11 -1.93 -3.47 132.00 134.86 1iq3 h PRO 95 Ca -0.26 0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.18 1iq3 h PRO 95 Cb 1.10 0.06 -0.20 0.00 0.11 0.00 0.00 31.00 32.07 1iq3 h PRO 95 CO 0.77 -0.17 0.94 -1.21 -0.21 0.00 0.00 178.00 178.12 1iq3 s GLU 96 N -6.10 0.09 0.44 1.05 2.02 -1.26 -5.09 118.70 109.85 1iq3 s GLU 96 Ca -0.15 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1iq3 s GLU 96 Cb 0.11 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1iq3 s GLU 96 CO 0.67 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 176.32 1iq3 n GLY 97 N -0.03 1.95 3.57 -1.39 0.00 -1.26 -4.55 105.19 103.49 1iq3 n GLY 97 Ca 0.04 0.51 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 1iq3 n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1iq3 s LEU 98 N 0.00 2.18 0.00 0.99 0.05 -1.26 -5.12 118.68 115.52 1iq3 s LEU 98 Ca 0.00 -1.58 -0.03 0.00 0.05 0.00 0.00 54.13 52.57 1iq3 s LEU 98 Cb 0.00 -0.39 0.05 0.00 -2.05 0.00 0.00 46.19 43.80 1iq3 s LEU 98 CO 0.00 -0.80 0.12 -2.65 -0.55 0.00 0.00 176.35 172.47 1iq3 n PRO 99 N -0.95 -0.54 -1.20 1.48 -0.02 -1.26 -4.70 135.00 127.81 1iq3 n PRO 99 Ca -0.08 -0.19 -0.25 0.00 -2.02 0.00 0.00 63.50 60.96 1iq3 n PRO 99 Cb 0.66 -0.36 -0.10 0.00 -0.02 0.00 0.00 33.50 33.67 1iq3 n PRO 99 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1iq3 n PRO 100 N -1.25 2.81 -4.42 0.52 -0.05 -1.26 -4.70 135.00 126.65 1iq3 n PRO 100 Ca 0.02 -1.66 -0.39 0.00 -0.05 0.00 0.00 63.50 61.42 1iq3 n PRO 100 Cb 0.08 -2.35 -0.07 0.00 -0.05 0.00 0.00 33.50 31.11 1iq3 n PRO 100 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1iq3 n THR 101 N 2.78 -0.49 0.00 0.52 -2.24 -1.26 -4.80 114.28 108.79 1iq3 n THR 101 Ca 0.58 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1iq3 n THR 101 Cb 0.60 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1iq3 n THR 101 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iq3 n LEU 102 N -4.22 0.00 -3.60 3.22 7.94 -1.26 -5.16 117.00 113.91 1iq3 n LEU 102 Ca 0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.88 1iq3 n LEU 102 Cb 0.51 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.43 1iq3 n LEU 102 CO 0.92 0.00 1.03 0.00 -1.11 0.00 0.00 177.39 178.23 1iq3 s GLN 103 N 0.00 0.26 -1.21 1.96 -2.07 -1.26 -5.06 119.66 112.29 1iq3 s GLN 103 Ca 0.00 -0.07 -0.22 0.00 -1.82 0.00 0.00 55.36 53.25 1iq3 s GLN 103 Cb 0.00 0.12 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 1iq3 s GLN 103 CO 0.00 -0.11 1.90 -1.25 -1.32 0.00 0.00 175.29 174.51 1iq3 s PRO 104 N -2.11 2.73 0.00 9.60 0.04 -1.26 -4.67 135.00 139.33 1iq3 s PRO 104 Ca 0.09 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 59.82 1iq3 s PRO 104 Cb -0.01 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1iq3 s PRO 104 CO -0.04 -3.73 0.00 -1.91 0.04 0.00 0.00 177.00 171.36 1iq3 n GLU 105 N 8.29 0.00 0.00 4.56 2.13 -1.26 -5.05 120.64 129.31 1iq3 n GLU 105 Ca 0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1iq3 n GLU 105 Cb 0.46 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1iq3 n GLU 105 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1iq3 n PHE 106 N -2.23 0.00 0.23 4.31 7.35 -1.26 -5.01 117.46 120.85 1iq3 n PHE 106 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1iq3 n PHE 106 Cb 0.00 0.00 0.55 0.00 0.35 0.00 0.00 39.48 40.38 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1iq3 h ILE 107 N 0.00 0.91 -3.97 -2.13 1.08 -1.93 -3.43 117.51 108.03 1iq3 h ILE 107 Ca 0.00 -0.81 -0.53 0.00 -0.39 0.00 0.00 64.86 63.13 1iq3 h ILE 107 Cb 0.00 1.47 0.10 0.00 -3.07 0.00 0.00 36.82 35.31 1iq3 h ILE 107 CO 0.00 0.21 0.63 0.54 -0.69 0.00 0.00 178.15 178.84 1iq3 s VAL 108 N -4.27 2.44 0.00 1.67 0.11 -1.26 -4.91 120.40 114.18 1iq3 s VAL 108 Ca -0.03 0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1iq3 s VAL 108 Cb 0.14 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1iq3 s VAL 108 CO 0.66 0.05 0.48 1.07 -3.33 0.00 0.00 175.10 174.03 1iq3 n THR 109 N -0.13 0.00 -0.15 5.04 5.66 -1.26 -5.10 114.28 118.33 1iq3 n THR 109 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1iq3 n THR 109 Cb 0.43 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49