#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq3 n SER 2 N 0.00 4.84 -0.04 1.61 3.41 -1.26 -4.71 113.62 117.48 1iq3 n SER 2 Ca 0.00 -3.76 -0.01 0.00 -0.26 0.00 0.00 58.87 54.84 1iq3 n SER 2 Cb 0.00 -0.69 -0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1iq3 n SER 2 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1iq3 h LEU 3 N 1.62 0.00 0.00 1.04 5.85 -2.05 -3.50 115.31 118.27 1iq3 h LEU 3 Ca 0.43 0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.36 1iq3 h LEU 3 Cb 1.52 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 1iq3 h LEU 3 CO 0.94 0.42 -0.28 0.00 -0.34 0.00 0.00 178.44 179.18 1iq3 n GLN 4 N -3.96 -1.54 -2.60 1.25 3.00 -1.26 -4.77 117.38 107.49 1iq3 n GLN 4 Ca -0.02 1.02 -0.02 0.00 -0.01 0.00 0.00 57.00 57.97 1iq3 n GLN 4 Cb 0.07 -1.88 0.11 0.00 0.00 0.00 0.00 30.24 28.53 1iq3 n GLN 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1iq3 n ASP 5 N -3.45 -0.89 0.00 1.08 8.00 -1.26 -4.99 116.55 115.04 1iq3 n ASP 5 Ca 0.01 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.33 1iq3 n ASP 5 Cb 0.35 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1iq3 n ASP 5 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iq3 n ASN 6 N -1.29 0.00 -0.01 -2.24 4.13 -1.26 -5.00 115.26 109.58 1iq3 n ASN 6 Ca -0.14 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.12 1iq3 n ASN 6 Cb 0.86 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.07 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iq3 n SER 7 N -0.98 4.00 -3.41 6.41 2.88 -1.26 -5.01 113.62 116.25 1iq3 n SER 7 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1iq3 n SER 7 Cb 0.00 0.85 0.02 0.00 -0.75 0.00 0.00 64.21 64.33 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iq3 n SER 8 N -1.94 -5.00 -4.80 -3.46 2.88 -1.26 -4.93 113.62 95.10 1iq3 n SER 8 Ca -0.04 -0.47 -0.39 0.00 -1.33 0.00 0.00 58.87 56.64 1iq3 n SER 8 Cb 0.42 -4.04 -0.06 0.00 -0.75 0.00 0.00 64.21 59.77 1iq3 n SER 8 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1iq3 s TYR 9 N -3.14 3.83 0.67 0.66 1.51 -1.26 -5.05 117.35 114.58 1iq3 s TYR 9 Ca 0.45 1.37 -0.15 0.00 -1.01 0.00 0.00 57.07 57.73 1iq3 s TYR 9 Cb -0.22 -2.58 0.01 0.00 -0.11 0.00 0.00 41.96 39.06 1iq3 s TYR 9 CO 0.56 0.56 1.13 -1.25 -1.11 0.00 0.00 175.55 175.44 1iq3 s PRO 10 N -1.07 2.67 -0.80 -1.71 0.04 -1.26 -4.86 135.00 128.01 1iq3 s PRO 10 Ca 0.31 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1iq3 s PRO 10 Cb -0.20 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1iq3 s PRO 10 CO 0.21 -1.37 2.19 -0.51 0.04 0.00 0.00 177.00 177.56 1iq3 s ASP 11 N -2.45 4.53 -0.09 6.66 1.01 -1.26 -4.76 116.67 120.31 1iq3 s ASP 11 Ca 0.69 -0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.80 1iq3 s ASP 11 Cb -0.22 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.15 1iq3 s ASP 11 CO 0.42 -3.24 -0.03 -0.33 0.21 0.00 0.00 175.17 172.20 1iq3 h GLU 12 N 12.87 0.00 0.00 8.23 4.39 -1.89 -2.04 114.58 136.13 1iq3 h GLU 12 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iq3 h GLU 12 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1iq3 h GLU 12 CO 1.11 0.00 0.00 -1.00 -1.16 0.00 0.00 179.01 177.96 1iq3 h PRO 13 N -0.80 0.00 -0.26 2.33 0.13 -2.02 -1.89 132.00 129.50 1iq3 h PRO 13 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iq3 h PRO 13 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1iq3 h PRO 13 CO 0.00 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 178.68 1iq3 n TRP 14 N -2.91 0.33 -3.50 1.56 5.03 -1.26 -5.00 117.44 111.69 1iq3 n TRP 14 Ca -0.01 -0.26 -0.12 0.00 3.03 0.00 0.00 57.50 60.14 1iq3 n TRP 14 Cb 0.18 -0.01 -0.03 0.00 -1.03 0.00 0.00 31.31 30.41 1iq3 n TRP 14 CO 0.00 0.00 0.00 0.50 -0.03 0.00 0.00 177.69 178.16 1iq3 s ARG 15 N -1.14 1.17 0.00 -0.99 3.00 -0.71 -5.02 118.95 115.27 1iq3 s ARG 15 Ca 0.25 -0.45 0.00 0.00 -1.00 0.00 0.00 55.73 54.53 1iq3 s ARG 15 Cb 0.15 0.54 0.00 0.00 0.00 0.00 0.00 34.95 35.63 1iq3 s ARG 15 CO 0.21 -0.48 0.00 1.51 0.00 0.00 0.00 175.30 176.53 1iq3 n ILE 16 N -0.14 0.00 -3.00 4.11 0.13 -1.26 -4.41 119.36 114.79 1iq3 n ILE 16 Ca -0.17 0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.50 1iq3 n ILE 16 Cb 0.63 0.00 -0.00 0.00 -0.84 0.00 0.00 39.64 39.43 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1iq3 s THR 17 N -1.13 -0.61 0.00 9.51 -1.32 -1.26 -4.93 115.64 115.91 1iq3 s THR 17 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1iq3 s THR 17 Cb 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.95 1iq3 s THR 17 CO 0.00 0.00 0.00 -1.84 -2.21 0.00 0.00 174.62 170.57 1iq3 n GLU 18 N 4.14 -2.41 -0.07 7.08 0.28 -1.26 -4.62 120.64 123.78 1iq3 n GLU 18 Ca 0.08 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.00 1iq3 n GLU 18 Cb 0.60 -4.26 -0.10 0.00 1.43 0.00 0.00 31.44 29.11 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iq3 n GLU 19 N -2.04 1.41 0.00 3.44 -0.58 -1.26 -4.49 120.64 117.12 1iq3 n GLU 19 Ca 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1iq3 n GLU 19 Cb 0.35 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.64 1.45 0.21 3.49 10.64 -1.26 -4.62 117.38 124.64 1iq3 n GLN 20 Ca -0.24 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.01 1iq3 n GLN 20 Cb 0.91 -0.95 0.37 0.00 -0.86 0.00 0.00 30.24 29.71 1iq3 n GLN 20 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1iq3 h ARG 21 N 0.00 0.00 -0.03 2.61 2.43 -1.92 -1.37 114.38 116.10 1iq3 h ARG 21 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1iq3 h ARG 21 Cb 0.26 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1iq3 h ARG 21 CO 0.00 0.26 -0.94 0.93 -1.51 0.00 0.00 179.97 178.71 1iq3 h GLU 22 N 0.00 0.69 0.06 0.20 5.08 -1.82 -2.13 114.58 116.66 1iq3 h GLU 22 Ca -0.00 -0.70 -0.24 0.00 -1.00 0.00 0.00 59.36 57.41 1iq3 h GLU 22 Cb 0.86 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 1iq3 h GLU 22 CO 0.03 1.29 -1.08 -0.92 -1.00 0.00 0.00 179.01 177.33 1iq3 h TYR 23 N 0.37 0.45 -0.36 4.33 5.03 -1.80 -2.38 116.97 122.62 1iq3 h TYR 23 Ca -0.11 -0.29 -0.09 0.00 2.58 0.00 0.00 58.73 60.82 1iq3 h TYR 23 Cb 1.59 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.83 1iq3 h TYR 23 CO 0.10 1.17 -0.14 1.88 -1.32 0.00 0.00 178.16 179.85 1iq3 h TYR 24 N 0.11 0.83 -0.14 -3.82 0.05 -1.31 -3.05 116.97 109.64 1iq3 h TYR 24 Ca -0.09 -0.20 -0.14 0.00 0.05 0.00 0.00 58.73 58.35 1iq3 h TYR 24 Cb 1.77 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 39.30 1iq3 h TYR 24 CO 0.05 0.91 -0.51 0.28 -1.05 0.00 0.00 178.16 177.84 1iq3 h VAL 25 N 0.51 1.34 -0.41 -2.88 2.07 -1.45 -2.90 116.25 112.53 1iq3 h VAL 25 Ca 0.08 -1.75 0.12 0.00 0.82 0.00 0.00 66.70 65.98 1iq3 h VAL 25 Cb 0.67 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1iq3 h VAL 25 CO 0.05 0.53 0.42 -1.13 0.02 0.00 0.00 177.57 177.46 1iq3 h ASN 26 N 0.30 0.00 0.00 0.57 -0.73 -1.31 0.25 115.58 114.66 1iq3 h ASN 26 Ca 0.01 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.12 1iq3 h ASN 26 Cb 0.99 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.58 1iq3 h ASN 26 CO 0.09 0.00 -0.60 -0.61 -0.37 0.00 0.00 177.43 175.93 1iq3 h GLN 27 N 0.00 0.00 0.00 6.67 5.75 -1.56 -3.34 115.11 122.63 1iq3 h GLN 27 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1iq3 h GLN 27 Cb 1.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.59 1iq3 h GLN 27 CO -0.00 0.32 0.18 0.35 -2.65 0.00 0.00 178.83 177.03 1iq3 h PHE 28 N -1.00 0.00 -0.00 3.99 3.04 -1.40 -1.67 116.94 119.89 1iq3 h PHE 28 Ca -0.09 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.85 1iq3 h PHE 28 Cb 0.68 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.19 1iq3 h PHE 28 CO -0.07 0.00 -0.01 -0.09 -2.02 0.00 0.00 178.31 176.12 1iq3 h ARG 29 N 0.00 0.01 -1.40 1.11 2.43 -1.07 -1.04 114.38 114.42 1iq3 h ARG 29 Ca 0.00 -0.01 0.43 0.00 -0.81 0.00 0.00 59.98 59.59 1iq3 h ARG 29 Cb 0.36 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 1iq3 h ARG 29 CO 0.00 0.58 0.94 1.03 -1.51 0.00 0.00 179.97 181.01 1iq3 h SER 30 N -0.55 0.19 0.45 -3.80 0.87 -1.42 0.81 113.55 110.11 1iq3 h SER 30 Ca 0.00 0.09 -0.30 0.00 -1.23 0.00 0.00 61.79 60.35 1iq3 h SER 30 Cb 0.58 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1iq3 h SER 30 CO 0.00 -0.11 -1.72 -0.07 -0.53 0.00 0.00 176.83 174.41 1iq3 h LEU 31 N 0.09 0.09 -7.42 2.23 3.38 -1.64 -3.43 115.31 108.61 1iq3 h LEU 31 Ca 0.79 -0.19 -0.63 0.00 0.09 0.00 0.00 57.88 57.95 1iq3 h LEU 31 Cb 2.66 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 42.98 1iq3 h LEU 31 CO -0.29 1.17 -0.73 -1.10 0.09 0.00 0.00 178.44 177.58 1iq3 s GLN 32 N -2.60 1.24 0.56 1.13 -1.52 0.28 -4.96 119.66 113.80 1iq3 s GLN 32 Ca -0.08 -1.68 0.27 0.00 -1.95 0.00 0.00 55.36 51.93 1iq3 s GLN 32 Cb 0.08 -2.73 1.48 0.00 -0.22 0.00 0.00 33.01 31.62 1iq3 s GLN 32 CO 0.82 -0.99 1.98 -1.35 -0.25 0.00 0.00 175.29 175.49 1iq3 h PRO 33 N 7.61 0.00 -6.13 2.91 0.11 -1.80 -3.39 132.00 131.30 1iq3 h PRO 33 Ca -0.07 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.47 1iq3 h PRO 33 Cb 1.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 1iq3 h PRO 33 CO 0.51 0.00 0.61 -0.51 -0.21 0.00 0.00 178.00 178.40 1iq3 s ASP 34 N -5.78 7.14 0.49 -2.05 1.01 -1.26 -4.91 116.67 111.31 1iq3 s ASP 34 Ca -0.05 1.41 0.20 0.00 0.71 0.00 0.00 52.55 54.82 1iq3 s ASP 34 Cb 0.18 -2.53 1.23 0.00 1.01 0.00 0.00 42.92 42.81 1iq3 s ASP 34 CO 0.64 -0.51 2.04 1.55 0.21 0.00 0.00 175.17 179.10 1iq3 h PRO 35 N 7.27 0.00 -2.32 8.23 0.13 -1.98 -3.22 132.00 140.11 1iq3 h PRO 35 Ca -0.27 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.23 1iq3 h PRO 35 Cb 1.11 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.85 1iq3 h PRO 35 CO 0.89 0.14 -0.33 0.43 -0.23 0.00 0.00 178.00 178.90 1iq3 n SER 36 N -4.04 4.42 -4.03 1.44 7.64 -1.26 -4.97 113.62 112.82 1iq3 n SER 36 Ca -0.02 -3.49 -0.10 0.00 1.01 0.00 0.00 58.87 56.27 1iq3 n SER 36 Cb 0.23 -0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 62.60 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1iq3 s SER 37 N -2.50 -0.01 -0.03 6.43 1.04 -1.22 -5.05 113.70 112.36 1iq3 s SER 37 Ca 0.40 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1iq3 s SER 37 Cb 0.16 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 1iq3 s SER 37 CO -0.02 -1.02 0.01 0.72 0.98 0.00 0.00 173.24 173.92 1iq3 s PHE 38 N -4.04 3.14 0.45 5.02 -0.12 -1.26 -1.85 117.98 119.31 1iq3 s PHE 38 Ca 0.25 0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 57.24 1iq3 s PHE 38 Cb 0.02 -1.72 -0.02 0.00 -0.63 0.00 0.00 43.02 40.67 1iq3 s PHE 38 CO 0.08 0.48 0.71 0.42 -0.05 0.00 0.00 175.22 176.86 1iq3 s ILE 39 N -1.04 4.66 0.00 -4.49 1.01 -0.39 -4.88 121.20 116.07 1iq3 s ILE 39 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1iq3 s ILE 39 Cb -0.12 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1iq3 s ILE 39 CO 0.08 -0.64 0.00 -1.20 0.00 0.00 0.00 174.94 173.18 1iq3 n SER 40 N -2.14 0.00 0.00 3.58 7.64 -1.26 -1.23 113.62 120.22 1iq3 n SER 40 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1iq3 n SER 40 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1iq3 n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iq3 n GLY 41 N 1.41 -0.12 0.37 0.23 0.00 -1.00 -3.05 105.19 103.04 1iq3 n GLY 41 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1iq3 n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iq3 h SER 42 N 0.00 0.00 0.02 1.61 4.64 -1.97 -0.60 113.55 117.24 1iq3 h SER 42 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iq3 h SER 42 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1iq3 h SER 42 CO 0.00 0.00 -0.01 0.58 -0.87 0.00 0.00 176.83 176.53 1iq3 h VAL 43 N 0.00 0.99 -0.00 0.95 2.07 -1.94 -0.21 116.25 118.10 1iq3 h VAL 43 Ca 0.13 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 1iq3 h VAL 43 Cb 1.04 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1iq3 h VAL 43 CO -0.00 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.36 1iq3 h ALA 44 N 0.96 0.03 0.00 1.67 0.00 -1.35 -3.08 119.26 117.48 1iq3 h ALA 44 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1iq3 h ALA 44 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1iq3 h ALA 44 CO 0.00 0.07 0.16 -0.22 0.00 0.00 0.00 179.25 179.26 1iq3 h LYS 45 N -0.52 0.00 0.93 0.00 3.64 -1.40 -1.46 116.57 117.76 1iq3 h LYS 45 Ca -0.03 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1iq3 h LYS 45 Cb 0.99 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1iq3 h LYS 45 CO 0.05 0.00 -0.45 -0.97 -2.27 0.00 0.00 179.45 175.81 1iq3 h ASN 46 N 0.00 -1.06 1.72 4.20 -0.00 -0.93 -3.14 115.58 116.37 1iq3 h ASN 46 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 56.30 56.31 1iq3 h ASN 46 Cb 0.31 0.27 -0.00 0.00 -0.00 0.00 0.00 38.32 38.90 1iq3 h ASN 46 CO 0.00 -0.74 -0.29 2.19 -0.00 0.00 0.00 177.43 178.59 1iq3 h PHE 47 N -1.28 0.00 -0.34 0.67 -5.15 -1.59 -3.28 116.94 105.97 1iq3 h PHE 47 Ca -0.13 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 57.74 1iq3 h PHE 47 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.12 1iq3 h PHE 47 CO -0.00 0.13 0.70 0.74 -2.00 0.00 0.00 178.31 177.87 1iq3 h PHE 48 N 0.00 0.00 -1.46 6.09 -1.00 -1.23 -1.93 116.94 117.41 1iq3 h PHE 48 Ca -0.01 0.00 0.42 0.00 2.81 0.00 0.00 57.97 61.20 1iq3 h PHE 48 Cb 1.10 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.60 1iq3 h PHE 48 CO 0.00 0.00 1.32 0.00 -1.61 0.00 0.00 178.31 178.02 1iq3 h THR 49 N 0.00 0.00 -0.60 -1.55 1.03 -1.66 -3.29 112.91 106.84 1iq3 h THR 49 Ca 0.16 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.22 1iq3 h THR 49 Cb 1.55 0.00 -0.05 0.00 -1.07 0.00 0.00 68.15 68.59 1iq3 h THR 49 CO -0.00 0.00 1.01 -1.59 -0.01 0.00 0.00 175.52 174.93 1iq3 s LYS 50 N -4.63 2.62 0.03 0.00 -2.85 -0.73 -3.85 119.74 110.33 1iq3 s LYS 50 Ca -0.04 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.06 1iq3 s LYS 50 Cb 0.20 -5.19 0.00 0.00 -2.06 0.00 0.00 37.83 30.78 1iq3 s LYS 50 CO 0.66 -3.62 0.00 0.45 0.10 0.00 0.00 175.35 172.94 1iq3 n SER 51 N 13.78 -0.27 0.08 0.03 2.88 -1.24 -4.92 113.62 123.96 1iq3 n SER 51 Ca 0.43 0.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.24 1iq3 n SER 51 Cb 0.47 0.43 0.46 0.00 -0.75 0.00 0.00 64.21 64.82 1iq3 n SER 51 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iq3 n LYS 52 N -2.08 0.17 0.00 -1.46 2.85 -1.25 -4.59 118.16 111.80 1iq3 n LYS 52 Ca 0.00 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 1iq3 n LYS 52 Cb 0.00 -1.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 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 -2.04 0.00 -0.02 -5.58 4.77 -1.25 -2.99 117.00 109.88 1iq3 n LEU 53 Ca 0.05 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.98 1iq3 n LEU 53 Cb 0.34 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 1iq3 n LEU 53 CO 0.26 0.00 -0.35 -1.20 -1.33 0.00 0.00 177.39 174.77 1iq3 n SER 54 N 3.05 1.51 -4.40 -1.43 7.64 -1.26 -4.93 113.62 113.80 1iq3 n SER 54 Ca 0.00 0.23 -0.49 0.00 1.01 0.00 0.00 58.87 59.62 1iq3 n SER 54 Cb 0.00 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.54 1iq3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iq3 n ILE 55 N -3.97 0.01 -1.67 0.44 0.13 -1.16 -4.75 119.36 108.39 1iq3 n ILE 55 Ca -0.07 -0.06 -0.43 0.00 -1.10 0.00 0.00 62.75 61.09 1iq3 n ILE 55 Cb 0.27 -0.70 -0.03 0.00 -0.84 0.00 0.00 39.64 38.34 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1iq3 s PRO 56 N 7.59 3.53 -0.25 9.51 0.02 -1.26 -4.73 135.00 149.41 1iq3 s PRO 56 Ca 1.26 2.19 0.03 0.00 0.02 0.00 0.00 61.00 64.50 1iq3 s PRO 56 Cb -1.27 -4.28 0.10 0.00 0.02 0.00 0.00 34.50 29.08 1iq3 s PRO 56 CO 0.54 -1.65 0.99 -1.91 -0.33 0.00 0.00 177.00 174.64 1iq3 n GLU 57 N 8.26 0.33 -0.21 5.54 4.07 -1.26 -4.98 120.64 132.39 1iq3 n GLU 57 Ca 0.25 -0.66 0.08 0.00 -0.06 0.00 0.00 57.16 56.77 1iq3 n GLU 57 Cb 0.44 0.03 0.23 0.00 -0.06 0.00 0.00 31.44 32.08 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1iq3 n LEU 58 N -0.49 2.40 0.13 4.31 4.77 -1.26 -4.08 117.00 122.78 1iq3 n LEU 58 Ca -0.18 -1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 54.62 1iq3 n LEU 58 Cb 0.65 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 41.60 1iq3 n LEU 58 CO -0.09 0.58 0.45 0.28 -1.33 0.00 0.00 177.39 177.29 1iq3 h SER 59 N 2.72 0.00 1.06 -1.43 0.02 -2.00 -2.91 113.55 111.01 1iq3 h SER 59 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1iq3 h SER 59 Cb 0.62 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1iq3 h SER 59 CO 0.00 0.66 -0.97 0.10 -1.14 0.00 0.00 176.83 175.48 1iq3 h TYR 60 N 0.00 0.00 -0.13 3.45 -0.00 -1.99 -2.05 116.97 116.25 1iq3 h TYR 60 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.68 1iq3 h TYR 60 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.92 1iq3 h TYR 60 CO 0.00 0.84 -0.07 0.82 -0.00 0.00 0.00 178.16 179.75 1iq3 h ILE 61 N 0.00 1.32 -0.24 -0.90 1.08 -1.77 -2.89 117.51 114.11 1iq3 h ILE 61 Ca -0.05 -1.12 -0.20 0.00 -0.39 0.00 0.00 64.86 63.10 1iq3 h ILE 61 Cb 1.68 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 37.22 1iq3 h ILE 61 CO 0.10 0.33 -0.63 -0.25 -0.69 0.00 0.00 178.15 177.01 1iq3 h TRP 62 N -0.06 1.07 -0.81 1.37 2.91 -1.61 -1.87 115.95 116.94 1iq3 h TRP 62 Ca 0.03 -0.41 0.20 0.00 1.13 0.00 0.00 58.89 59.84 1iq3 h TRP 62 Cb 0.54 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.96 1iq3 h TRP 62 CO 0.07 1.24 0.56 0.93 -1.03 0.00 0.00 178.44 180.21 1iq3 h GLU 63 N 0.61 0.23 0.00 2.65 5.08 -1.36 0.22 114.58 122.01 1iq3 h GLU 63 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1iq3 h GLU 63 Cb 1.24 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1iq3 h GLU 63 CO 0.13 0.15 -1.18 1.28 -1.00 0.00 0.00 179.01 178.39 1iq3 n LEU 64 N -4.42 0.70 0.12 1.33 4.77 -1.10 -4.00 117.00 114.41 1iq3 n LEU 64 Ca 0.17 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.40 1iq3 n LEU 64 Cb 0.72 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 41.90 1iq3 n LEU 64 CO 0.34 -0.15 0.45 -1.28 -1.33 0.00 0.00 177.39 175.42 1iq3 h SER 65 N 0.00 0.02 -2.86 -1.43 0.87 0.26 -3.44 113.55 106.97 1iq3 h SER 65 Ca -0.00 -0.01 -0.57 0.00 -1.23 0.00 0.00 61.79 59.97 1iq3 h SER 65 Cb 1.01 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1iq3 h SER 65 CO 0.00 0.68 -0.42 -0.62 -0.53 0.00 0.00 176.83 175.94 1iq3 s ASP 66 N -6.84 6.38 -0.01 6.23 -1.08 -0.64 -4.89 116.67 115.83 1iq3 s ASP 66 Ca -0.01 0.33 0.08 0.00 -0.52 0.00 0.00 52.55 52.44 1iq3 s ASP 66 Cb 0.12 -1.98 0.14 0.00 -1.46 0.00 0.00 42.92 39.74 1iq3 s ASP 66 CO 0.77 0.07 1.06 0.00 0.52 0.00 0.00 175.17 177.59 1iq3 n ALA 67 N -0.18 2.16 -1.63 3.66 0.00 -1.26 -4.82 120.51 118.44 1iq3 n ALA 67 Ca -0.05 -1.53 -0.02 0.00 0.00 0.00 0.00 53.44 51.85 1iq3 n ALA 67 Cb 0.52 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 0.02 -0.28 -2.92 0.00 5.68 -1.26 -4.97 116.55 112.81 1iq3 n ASP 68 Ca 0.03 -0.76 -0.13 0.00 -0.50 0.00 0.00 54.79 53.43 1iq3 n ASP 68 Cb 0.82 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.86 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 -1.58 0.53 0.00 0.00 5.75 -1.26 -4.91 116.55 115.08 1iq3 n ASP 70 Ca 0.04 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 1iq3 n ASP 70 Cb 0.43 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.38 1.70 3.92 6.12 0.00 -1.26 -4.96 105.19 112.09 1iq3 n GLY 71 Ca 0.06 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.23 3.60 -0.08 4.61 0.00 -1.26 -2.37 121.76 126.02 1iq3 s ALA 72 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1iq3 s ALA 72 Cb 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1iq3 s ALA 72 CO 0.00 -0.03 -0.04 -0.51 0.00 0.00 0.00 175.76 175.18 1iq3 s LEU 73 N -4.21 0.96 0.81 0.00 1.02 -0.36 -4.89 118.68 112.01 1iq3 s LEU 73 Ca 0.43 -0.17 -0.13 0.00 0.02 0.00 0.00 54.13 54.28 1iq3 s LEU 73 Cb -0.10 -0.59 0.09 0.00 0.02 0.00 0.00 46.19 45.61 1iq3 s LEU 73 CO 0.37 -0.13 1.21 0.42 0.02 0.00 0.00 176.35 178.23 1iq3 s THR 74 N 1.63 2.01 0.23 5.49 -4.23 -1.26 -1.26 115.64 118.26 1iq3 s THR 74 Ca 0.01 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.47 1iq3 s THR 74 Cb -0.13 -2.39 0.19 0.00 1.34 0.00 0.00 72.50 71.51 1iq3 s THR 74 CO -0.05 -0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.07 1iq3 h LEU 75 N -0.96 0.56 -1.92 4.79 6.46 -1.71 0.11 115.31 122.64 1iq3 h LEU 75 Ca -0.46 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.34 1iq3 h LEU 75 Cb 1.30 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1iq3 h LEU 75 CO 0.46 0.32 -0.06 -0.65 -0.62 0.00 0.00 178.44 177.89 1iq3 h PRO 76 N 0.69 0.00 0.00 5.25 0.11 -1.90 -0.85 132.00 135.31 1iq3 h PRO 76 Ca 0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 1iq3 h PRO 76 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1iq3 h PRO 76 CO -0.25 0.06 -0.66 1.05 -0.21 0.00 0.00 178.00 177.99 1iq3 h GLU 77 N 0.00 0.00 0.00 1.05 4.11 -1.17 -3.24 114.58 115.33 1iq3 h GLU 77 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 1iq3 h GLU 77 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1iq3 h GLU 77 CO 0.01 0.30 -0.75 0.35 0.07 0.00 0.00 179.01 178.99 1iq3 h PHE 78 N 0.00 0.00 -0.25 2.06 3.04 0.23 -3.06 116.94 118.97 1iq3 h PHE 78 Ca -0.04 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.98 1iq3 h PHE 78 Cb 1.31 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 1iq3 h PHE 78 CO 0.00 0.75 0.28 0.00 -2.02 0.00 0.00 178.31 177.32 1iq3 n ALA 80 N -2.31 1.00 -0.30 0.00 0.00 -1.16 -3.50 120.51 114.24 1iq3 n ALA 80 Ca 0.03 -0.72 0.11 0.00 0.00 0.00 0.00 53.44 52.86 1iq3 n ALA 80 Cb 0.42 -0.44 0.35 0.00 0.00 0.00 0.00 19.45 19.77 1iq3 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iq3 h ALA 81 N -0.22 1.76 0.00 0.00 0.00 -1.34 0.19 119.26 119.65 1iq3 h ALA 81 Ca -0.47 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1iq3 h ALA 81 Cb 1.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1iq3 h ALA 81 CO -0.09 -0.02 -0.29 0.35 0.00 0.00 0.00 179.25 179.20 1iq3 h PHE 82 N 0.76 0.00 -0.62 0.00 3.57 -1.51 -2.92 116.94 116.21 1iq3 h PHE 82 Ca 0.48 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 1iq3 h PHE 82 Cb 0.71 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1iq3 h PHE 82 CO -0.00 0.29 0.38 1.12 -2.23 0.00 0.00 178.31 177.86 1iq3 h HIS 83 N 0.00 0.80 0.00 0.41 2.07 -0.66 -2.27 115.15 115.51 1iq3 h HIS 83 Ca -0.00 0.01 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 1iq3 h HIS 83 Cb 1.06 -0.27 -0.02 0.00 2.57 0.00 0.00 27.41 30.75 1iq3 h HIS 83 CO 0.00 0.53 -1.12 1.37 -3.07 0.00 0.00 177.93 175.64 1iq3 h LEU 84 N 0.85 0.00 -0.79 6.12 8.10 -1.50 -3.34 115.31 124.76 1iq3 h LEU 84 Ca 0.22 0.00 0.12 0.00 0.11 0.00 0.00 57.88 58.34 1iq3 h LEU 84 Cb -0.04 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.09 1iq3 h LEU 84 CO -0.04 0.56 0.40 0.40 -4.11 0.00 0.00 178.44 175.65 1iq3 h ILE 85 N 0.00 0.78 -0.29 0.15 5.03 -1.21 -0.64 117.51 121.33 1iq3 h ILE 85 Ca -0.11 -0.21 -0.14 0.00 -0.12 0.00 0.00 64.86 64.28 1iq3 h ILE 85 Cb 1.52 0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 35.41 1iq3 h ILE 85 CO 0.05 0.11 -0.39 0.58 -0.68 0.00 0.00 178.15 177.83 1iq3 h VAL 86 N 0.61 1.29 0.00 1.67 2.07 -1.67 -2.53 116.25 117.70 1iq3 h VAL 86 Ca 0.41 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1iq3 h VAL 86 Cb 0.53 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1iq3 h VAL 86 CO -0.33 0.50 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1iq3 n ALA 87 N -2.51 1.11 0.06 1.67 0.00 -0.28 -1.55 120.51 119.01 1iq3 n ALA 87 Ca -0.02 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 1iq3 n ALA 87 Cb 0.52 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1iq3 n ALA 87 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1iq3 h ARG 88 N 0.00 0.20 -0.10 0.00 1.12 -1.11 -0.80 114.38 113.68 1iq3 h ARG 88 Ca 0.00 -0.34 0.04 0.00 -1.11 0.00 0.00 59.98 58.57 1iq3 h ARG 88 Cb 0.04 0.13 -0.06 0.00 -0.01 0.00 0.00 29.97 30.06 1iq3 h ARG 88 CO 0.00 1.06 -0.42 -0.22 -3.11 0.00 0.00 179.97 177.28 1iq3 h LYS 89 N 0.05 -0.49 -0.05 0.20 1.63 -1.36 -2.27 116.57 114.28 1iq3 h LYS 89 Ca -0.21 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1iq3 h LYS 89 Cb 1.98 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.72 1iq3 h LYS 89 CO 0.15 -0.33 0.00 -1.71 -3.45 0.00 0.00 179.45 174.12 1iq3 n ASN 90 N -5.44 2.72 0.00 4.20 4.05 -1.25 -4.97 115.26 114.57 1iq3 n ASN 90 Ca -0.04 -1.90 0.00 0.00 0.45 0.00 0.00 54.58 53.08 1iq3 n ASN 90 Cb 0.36 -0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iq3 n GLY 91 N 1.32 2.25 1.55 8.20 0.00 -0.32 -4.95 105.19 113.23 1iq3 n GLY 91 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -3.94 -2.46 1.61 4.02 -1.12 -4.43 117.16 110.84 1iq3 n TYR 92 Ca 0.00 2.13 -0.41 0.00 -0.01 0.00 0.00 57.90 59.62 1iq3 n TYR 92 Cb 0.00 -3.30 -0.04 0.00 -0.02 0.00 0.00 39.34 35.98 1iq3 n TYR 92 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1iq3 s PRO 93 N -5.30 4.61 -0.14 -0.72 0.04 -1.26 -4.32 135.00 127.91 1iq3 s PRO 93 Ca 0.00 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1iq3 s PRO 93 Cb 0.00 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1iq3 s PRO 93 CO 0.00 0.14 0.18 -0.11 0.04 0.00 0.00 177.00 177.25 1iq3 n LEU 94 N 1.50 -3.63 -0.13 -3.56 7.94 -1.26 -4.85 117.00 113.01 1iq3 n LEU 94 Ca 0.00 0.32 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 1iq3 n LEU 94 Cb 0.45 -1.71 -0.02 0.00 0.53 0.00 0.00 43.42 42.66 1iq3 n LEU 94 CO 0.54 -1.18 0.63 1.55 -1.11 0.00 0.00 177.39 177.82 1iq3 h PRO 95 N 3.16 0.84 0.00 1.96 0.13 -1.82 -3.48 132.00 132.78 1iq3 h PRO 95 Ca -0.14 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1iq3 h PRO 95 Cb 1.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1iq3 h PRO 95 CO 0.07 1.02 0.00 0.39 -0.23 0.00 0.00 178.00 179.25 1iq3 n GLU 96 N -4.21 -2.85 0.00 0.86 1.02 -1.26 -4.89 120.64 109.31 1iq3 n GLU 96 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1iq3 n GLU 96 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iq3 n GLY 97 N -0.06 2.17 3.28 0.62 0.00 -1.26 -5.14 105.19 104.81 1iq3 n GLY 97 Ca 0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 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 2.53 1.11 0.99 2.34 -1.26 -5.06 118.68 119.33 1iq3 s LEU 98 Ca 0.00 -1.00 -0.14 0.00 0.06 0.00 0.00 54.13 53.06 1iq3 s LEU 98 Cb 0.00 -0.47 0.25 0.00 -0.56 0.00 0.00 46.19 45.41 1iq3 s LEU 98 CO 0.00 -0.26 1.06 -2.16 -1.06 0.00 0.00 176.35 173.93 1iq3 s PRO 99 N -3.61 -0.45 -0.93 1.48 0.04 -1.26 -4.79 135.00 125.48 1iq3 s PRO 99 Ca 0.18 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 61.49 1iq3 s PRO 99 Cb 0.01 -1.63 -0.18 0.00 0.04 0.00 0.00 34.50 32.74 1iq3 s PRO 99 CO 0.03 -3.33 2.27 -2.14 0.04 0.00 0.00 177.00 173.87 1iq3 s PRO 100 N -4.81 1.42 -0.02 0.56 0.02 -1.26 -4.43 135.00 126.47 1iq3 s PRO 100 Ca 0.67 0.06 0.14 0.00 0.02 0.00 0.00 61.00 61.89 1iq3 s PRO 100 Cb -0.20 -4.88 0.24 0.00 0.02 0.00 0.00 34.50 29.68 1iq3 s PRO 100 CO 0.60 -4.92 1.10 -2.37 -0.33 0.00 0.00 177.00 171.08 1iq3 n THR 101 N 8.90 0.04 0.14 0.99 5.66 -1.26 -4.99 114.28 123.75 1iq3 n THR 101 Ca 0.44 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1iq3 n THR 101 Cb 0.45 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 1iq3 n THR 101 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1iq3 n LEU 102 N 0.18 -2.46 -2.82 1.09 0.00 -1.26 -5.11 117.00 106.63 1iq3 n LEU 102 Ca -0.10 0.64 -0.02 0.00 0.00 0.00 0.00 56.01 56.53 1iq3 n LEU 102 Cb 0.93 2.46 0.00 0.00 0.00 0.00 0.00 43.42 46.81 1iq3 n LEU 102 CO -0.09 0.11 -0.44 1.67 0.00 0.00 0.00 177.39 178.65 1iq3 n GLN 103 N -3.10 -2.93 0.25 1.96 7.27 -1.26 -4.83 117.38 114.75 1iq3 n GLN 103 Ca 0.00 2.43 0.10 0.00 0.07 0.00 0.00 57.00 59.60 1iq3 n GLN 103 Cb 0.00 -4.75 0.66 0.00 2.41 0.00 0.00 30.24 28.56 1iq3 n GLN 103 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1iq3 h PRO 104 N 3.01 0.00 -0.78 3.69 0.13 -2.02 -3.45 132.00 132.58 1iq3 h PRO 104 Ca -0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.89 1iq3 h PRO 104 Cb 0.27 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.31 1iq3 h PRO 104 CO 0.10 0.12 -0.21 -1.91 -0.23 0.00 0.00 178.00 175.87 1iq3 n GLU 105 N -3.97 -1.59 -3.98 0.86 4.07 -1.26 -2.79 120.64 111.98 1iq3 n GLU 105 Ca -0.02 0.81 -0.40 0.00 -0.06 0.00 0.00 57.16 57.49 1iq3 n GLU 105 Cb 0.21 -5.07 0.01 0.00 -0.06 0.00 0.00 31.44 26.54 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1iq3 n PHE 106 N -1.97 -1.54 0.02 4.31 3.01 -1.26 -4.83 117.46 115.20 1iq3 n PHE 106 Ca -0.11 0.27 -0.07 0.00 1.01 0.00 0.00 57.45 58.54 1iq3 n PHE 106 Cb 0.51 -3.04 0.11 0.00 -0.01 0.00 0.00 39.48 37.05 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1iq3 h ILE 107 N -2.31 1.32 -2.50 4.37 2.04 -1.86 -3.31 117.51 115.26 1iq3 h ILE 107 Ca -0.69 -1.70 -0.53 0.00 1.00 0.00 0.00 64.86 62.94 1iq3 h ILE 107 Cb 1.39 1.71 0.04 0.00 -0.74 0.00 0.00 36.82 39.22 1iq3 h ILE 107 CO 0.53 0.53 1.14 -0.69 0.00 0.00 0.00 178.15 179.65 1iq3 s VAL 108 N -4.07 2.55 -1.72 1.67 1.01 -1.26 -2.24 120.40 116.33 1iq3 s VAL 108 Ca -0.06 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1iq3 s VAL 108 Cb 0.12 -3.00 0.15 0.00 0.00 0.00 0.00 36.38 33.64 1iq3 s VAL 108 CO 0.82 -0.00 0.52 0.35 0.00 0.00 0.00 175.10 176.79 1iq3 n THR 109 N 4.84 -0.81 -0.30 3.92 -2.24 -1.26 -5.21 114.28 113.22 1iq3 n THR 109 Ca 0.18 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1iq3 n THR 109 Cb 0.38 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97