#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 4.26 -3.81 1.61 7.64 -1.26 -5.04 113.62 117.02 1iq3 n SER 2 Ca 0.00 -3.63 -0.21 0.00 1.01 0.00 0.00 58.87 56.05 1iq3 n SER 2 Cb 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1iq3 n SER 2 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1iq3 n LEU 3 N -0.31 0.00 -2.59 -3.43 4.32 -1.26 -4.98 117.00 108.75 1iq3 n LEU 3 Ca 0.33 -2.07 -0.03 0.00 -0.02 0.00 0.00 56.01 54.23 1iq3 n LEU 3 Cb 0.53 0.17 -0.02 0.00 -1.62 0.00 0.00 43.42 42.47 1iq3 n LEU 3 CO 0.33 -0.35 -0.43 0.00 -1.22 0.00 0.00 177.39 175.72 1iq3 n GLN 4 N -0.98 -3.59 -3.47 3.23 1.13 -1.26 -5.03 117.38 107.42 1iq3 n GLN 4 Ca -0.11 2.72 -0.11 0.00 -1.94 0.00 0.00 57.00 57.56 1iq3 n GLN 4 Cb 0.43 -3.63 -0.10 0.00 0.11 0.00 0.00 30.24 27.04 1iq3 n GLN 4 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1iq3 s ASP 5 N -0.44 0.40 0.00 1.08 2.15 -1.26 -5.14 116.67 113.46 1iq3 s ASP 5 Ca -0.14 0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1iq3 s ASP 5 Cb 0.01 0.95 0.00 0.00 -0.30 0.00 0.00 42.92 43.58 1iq3 s ASP 5 CO 0.37 -0.29 0.00 -0.46 -0.17 0.00 0.00 175.17 174.63 1iq3 n ASN 6 N 5.36 0.00 -4.47 -0.34 6.94 -1.26 -5.16 115.26 116.32 1iq3 n ASN 6 Ca -0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.22 1iq3 n ASN 6 Cb 0.50 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 38.08 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1iq3 s SER 7 N 1.55 2.93 -0.02 0.53 0.01 -1.26 -5.00 113.70 112.45 1iq3 s SER 7 Ca 0.00 0.77 0.15 0.00 1.31 0.00 0.00 55.95 58.18 1iq3 s SER 7 Cb 0.00 -1.18 -0.23 0.00 0.21 0.00 0.00 66.02 64.82 1iq3 s SER 7 CO 0.00 -2.89 0.34 -0.24 0.41 0.00 0.00 173.24 170.86 1iq3 n SER 8 N -3.96 1.48 -2.78 2.44 2.88 -1.26 -5.05 113.62 107.37 1iq3 n SER 8 Ca 0.09 -0.03 -0.07 0.00 -1.33 0.00 0.00 58.87 57.53 1iq3 n SER 8 Cb 0.59 1.67 0.01 0.00 -0.75 0.00 0.00 64.21 65.74 1iq3 n SER 8 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1iq3 n TYR 9 N -2.01 -3.30 -0.56 0.66 4.02 -1.26 -4.79 117.16 109.93 1iq3 n TYR 9 Ca -0.03 1.33 -0.30 0.00 -0.01 0.00 0.00 57.90 58.90 1iq3 n TYR 9 Cb 0.39 -3.96 0.22 0.00 -0.02 0.00 0.00 39.34 35.98 1iq3 n TYR 9 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1iq3 n PRO 10 N -0.34 -1.73 -3.42 -0.72 -0.02 -1.26 -3.94 135.00 123.57 1iq3 n PRO 10 Ca 0.11 -0.46 -0.19 0.00 -2.02 0.00 0.00 63.50 60.94 1iq3 n PRO 10 Cb 0.44 -2.19 0.06 0.00 -0.02 0.00 0.00 33.50 31.79 1iq3 n PRO 10 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1iq3 n ASP 11 N -4.41 -4.70 0.10 2.55 2.03 -1.26 -4.80 116.55 106.06 1iq3 n ASP 11 Ca 0.06 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1iq3 n ASP 11 Cb 0.54 -4.73 0.00 0.00 -0.72 0.00 0.00 41.12 36.21 1iq3 n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iq3 n GLU 12 N -3.72 0.00 0.29 -0.67 1.02 -1.25 -4.92 120.64 111.38 1iq3 n GLU 12 Ca -0.15 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.17 1iq3 n GLU 12 Cb 0.63 0.00 0.86 0.00 -0.02 0.00 0.00 31.44 32.91 1iq3 n GLU 12 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1iq3 h PRO 13 N 0.00 0.00 0.14 3.49 0.13 -1.87 -3.23 132.00 130.66 1iq3 h PRO 13 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1iq3 h PRO 13 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1iq3 h PRO 13 CO 0.00 0.03 -0.07 -1.49 -0.23 0.00 0.00 178.00 176.24 1iq3 h TRP 14 N 0.00 -0.17 -4.51 1.56 -0.00 -1.92 -3.49 115.95 107.42 1iq3 h TRP 14 Ca -0.00 -0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 58.72 1iq3 h TRP 14 Cb 0.33 0.06 0.12 0.00 -0.00 0.00 0.00 29.16 29.67 1iq3 h TRP 14 CO 0.00 -0.11 -0.54 -2.13 -0.00 0.00 0.00 178.44 175.67 1iq3 n ARG 15 N -3.72 -1.86 0.00 0.49 0.00 -1.22 -5.05 116.66 105.30 1iq3 n ARG 15 Ca -0.02 0.55 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 1iq3 n ARG 15 Cb 0.07 -4.31 0.00 0.00 0.00 0.00 0.00 32.46 28.23 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 -2.66 0.00 -2.66 5.15 0.13 -1.26 -5.14 119.36 112.92 1iq3 n ILE 16 Ca -0.07 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.55 1iq3 n ILE 16 Cb 0.58 0.00 0.04 0.00 -0.84 0.00 0.00 39.64 39.42 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 1.43 -0.08 0.00 9.51 -1.32 -1.26 -4.93 115.64 118.99 1iq3 s THR 17 Ca 0.00 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1iq3 s THR 17 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 1iq3 s THR 17 CO 0.00 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.79 1iq3 n GLU 18 N 2.56 -1.59 -0.05 7.08 1.02 -1.26 -4.75 120.64 123.65 1iq3 n GLU 18 Ca 0.11 0.40 -0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1iq3 n GLU 18 Cb 0.66 -4.78 -0.14 0.00 -0.02 0.00 0.00 31.44 27.16 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 0.33 0.66 -0.00 3.49 1.02 -1.26 -4.11 120.64 120.77 1iq3 n GLU 19 Ca 0.00 0.20 -0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1iq3 n GLU 19 Cb 0.40 -1.69 -0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1iq3 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iq3 n GLN 20 N -3.03 2.54 0.23 3.49 10.64 -1.26 -4.62 117.38 125.37 1iq3 n GLN 20 Ca -0.25 -0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.02 1iq3 n GLN 20 Cb 1.08 -1.00 0.51 0.00 -0.86 0.00 0.00 30.24 29.96 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 -0.17 2.61 9.65 -1.93 -1.46 114.38 123.08 1iq3 h ARG 21 Ca -0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 1iq3 h ARG 21 Cb 0.65 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1iq3 h ARG 21 CO 0.00 0.22 -0.46 0.93 2.80 0.00 0.00 179.97 183.46 1iq3 h GLU 22 N 0.00 0.60 0.00 0.20 5.08 -1.82 -1.04 114.58 117.60 1iq3 h GLU 22 Ca -0.00 -0.43 -0.21 0.00 -1.00 0.00 0.00 59.36 57.72 1iq3 h GLU 22 Cb 0.66 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1iq3 h GLU 22 CO 0.03 1.05 -0.90 -0.92 -1.00 0.00 0.00 179.01 177.26 1iq3 h TYR 23 N 0.26 0.44 -0.11 4.33 3.20 -1.78 -1.85 116.97 121.46 1iq3 h TYR 23 Ca -0.01 -0.24 -0.16 0.00 3.14 0.00 0.00 58.73 61.46 1iq3 h TYR 23 Cb 1.07 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1iq3 h TYR 23 CO 0.10 1.06 -0.62 1.88 -1.64 0.00 0.00 178.16 178.94 1iq3 h TYR 24 N 0.17 0.49 0.00 -3.82 0.05 -1.29 -2.95 116.97 109.61 1iq3 h TYR 24 Ca -0.06 -0.19 -0.14 0.00 0.05 0.00 0.00 58.73 58.39 1iq3 h TYR 24 Cb 1.53 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 39.17 1iq3 h TYR 24 CO 0.04 0.90 -0.65 0.28 -1.05 0.00 0.00 178.16 177.68 1iq3 h VAL 25 N 0.28 1.13 0.00 -2.88 2.07 -1.19 -2.78 116.25 112.88 1iq3 h VAL 25 Ca -0.01 -2.56 -0.03 0.00 0.82 0.00 0.00 66.70 64.91 1iq3 h VAL 25 Cb 1.15 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1iq3 h VAL 25 CO 0.10 0.64 -0.17 -1.13 0.02 0.00 0.00 177.57 177.04 1iq3 h ASN 26 N 0.00 0.00 0.00 0.57 -0.00 -1.24 -2.30 115.58 112.61 1iq3 h ASN 26 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.22 1iq3 h ASN 26 Cb 1.49 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.79 1iq3 h ASN 26 CO 0.08 0.17 -0.73 -0.61 -0.00 0.00 0.00 177.43 176.35 1iq3 h GLN 27 N 0.00 0.00 0.00 6.67 5.75 -1.50 -3.35 115.11 122.68 1iq3 h GLN 27 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1iq3 h GLN 27 Cb 0.78 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1iq3 h GLN 27 CO 0.02 0.32 0.04 0.34 -2.65 0.00 0.00 178.83 176.91 1iq3 n PHE 28 N -4.56 0.69 -0.04 3.99 -0.00 -1.05 -1.95 117.46 114.54 1iq3 n PHE 28 Ca -0.15 0.36 -0.12 0.00 -0.00 0.00 0.00 57.45 57.54 1iq3 n PHE 28 Cb 0.39 -1.05 -0.07 0.00 -0.00 0.00 0.00 39.48 38.75 1iq3 n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1iq3 h ARG 29 N 0.00 0.22 -0.64 -4.13 3.08 -1.54 0.10 114.38 111.47 1iq3 h ARG 29 Ca 0.00 -0.07 0.19 0.00 0.07 0.00 0.00 59.98 60.16 1iq3 h ARG 29 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1iq3 h ARG 29 CO 0.00 0.47 0.77 1.03 -1.07 0.00 0.00 179.97 181.17 1iq3 h SER 30 N -0.05 0.00 0.00 7.04 0.87 -1.56 0.41 113.55 120.27 1iq3 h SER 30 Ca 0.04 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.41 1iq3 h SER 30 Cb 0.37 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 1iq3 h SER 30 CO 0.01 0.00 -2.12 0.18 -0.53 0.00 0.00 176.83 174.37 1iq3 n LEU 31 N -3.45 0.00 -3.40 2.23 4.32 -0.97 -4.88 117.00 110.85 1iq3 n LEU 31 Ca 0.13 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.98 1iq3 n LEU 31 Cb 0.99 0.25 -0.10 0.00 -1.62 0.00 0.00 43.42 42.95 1iq3 n LEU 31 CO 0.25 0.25 -0.14 -1.10 -1.22 0.00 0.00 177.39 175.43 1iq3 s GLN 32 N -2.89 0.31 0.06 3.23 -1.52 0.14 -5.01 119.66 113.98 1iq3 s GLN 32 Ca -0.08 0.17 -0.35 0.00 -1.95 0.00 0.00 55.36 53.14 1iq3 s GLN 32 Cb 0.09 -0.71 -0.20 0.00 -0.22 0.00 0.00 33.01 31.97 1iq3 s GLN 32 CO 0.80 -0.82 1.53 -1.35 -0.25 0.00 0.00 175.29 175.20 1iq3 h PRO 33 N 8.24 -1.23 -6.09 2.91 0.11 -1.81 -3.36 132.00 130.77 1iq3 h PRO 33 Ca -0.15 0.08 -0.77 0.00 0.11 0.00 0.00 66.00 65.27 1iq3 h PRO 33 Cb 1.12 0.28 0.04 0.00 0.11 0.00 0.00 31.00 32.55 1iq3 h PRO 33 CO 0.30 -0.82 0.37 -0.25 -0.21 0.00 0.00 178.00 177.38 1iq3 n ASP 34 N -5.44 0.90 0.10 -2.05 9.92 -1.26 -4.81 116.55 113.92 1iq3 n ASP 34 Ca -0.16 1.15 -0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1iq3 n ASP 34 Cb 0.50 -1.01 0.28 0.00 -0.64 0.00 0.00 41.12 40.26 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1iq3 h PRO 35 N 4.22 0.24 -2.48 -0.24 0.13 -2.00 -3.27 132.00 128.61 1iq3 h PRO 35 Ca -0.48 -0.09 -0.73 0.00 -0.87 0.00 0.00 66.00 63.82 1iq3 h PRO 35 Cb 1.38 -0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.17 1iq3 h PRO 35 CO 0.78 0.53 0.34 -1.13 -0.23 0.00 0.00 178.00 178.29 1iq3 n SER 36 N -4.11 5.82 -4.00 1.44 3.41 -1.26 -4.81 113.62 110.11 1iq3 n SER 36 Ca -0.01 -3.54 -0.08 0.00 -0.26 0.00 0.00 58.87 54.98 1iq3 n SER 36 Cb 0.40 -1.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.26 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iq3 s SER 37 N -2.10 0.33 -0.08 4.04 1.04 -1.23 -4.98 113.70 110.72 1iq3 s SER 37 Ca 0.38 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1iq3 s SER 37 Cb 0.15 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1iq3 s SER 37 CO -0.02 -0.57 0.03 0.72 0.98 0.00 0.00 173.24 174.39 1iq3 s PHE 38 N -3.34 3.25 0.45 5.02 -0.12 -1.26 -0.70 117.98 121.28 1iq3 s PHE 38 Ca 0.01 0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 57.11 1iq3 s PHE 38 Cb 0.03 -1.81 -0.03 0.00 -0.63 0.00 0.00 43.02 40.58 1iq3 s PHE 38 CO -0.08 0.53 0.73 0.42 -0.05 0.00 0.00 175.22 176.77 1iq3 s ILE 39 N -0.94 4.86 1.44 -4.49 1.01 0.64 -4.77 121.20 118.94 1iq3 s ILE 39 Ca 0.15 -0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 1iq3 s ILE 39 Cb -0.12 -3.83 0.37 0.00 0.01 0.00 0.00 42.46 38.89 1iq3 s ILE 39 CO 0.04 -0.74 0.88 -1.20 0.00 0.00 0.00 174.94 173.92 1iq3 n SER 40 N -2.15 -3.86 0.00 3.58 7.64 -1.26 -1.75 113.62 115.82 1iq3 n SER 40 Ca -0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1iq3 n SER 40 Cb 0.56 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.80 1.13 0.54 0.23 0.00 -0.65 -3.60 105.19 104.64 1iq3 n GLY 41 Ca 0.12 0.00 0.39 0.00 0.00 0.00 0.00 46.02 46.53 1iq3 n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iq3 h SER 42 N 0.00 0.14 -0.08 1.61 0.87 -1.96 0.30 113.55 114.43 1iq3 h SER 42 Ca 0.00 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1iq3 h SER 42 Cb 0.00 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1iq3 h SER 42 CO 0.00 -0.06 -0.11 0.58 -0.53 0.00 0.00 176.83 176.71 1iq3 h VAL 43 N 0.08 0.69 -0.02 2.23 2.07 -1.95 0.24 116.25 119.60 1iq3 h VAL 43 Ca 0.76 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.27 1iq3 h VAL 43 Cb 2.69 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1iq3 h VAL 43 CO -0.19 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.38 1iq3 h ALA 44 N 0.89 0.02 0.00 1.67 0.00 -0.50 -2.78 119.26 118.57 1iq3 h ALA 44 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1iq3 h ALA 44 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1iq3 h ALA 44 CO -0.17 -0.19 0.14 -0.22 0.00 0.00 0.00 179.25 178.80 1iq3 h LYS 45 N -0.48 0.00 0.65 0.00 3.11 -1.20 -1.89 116.57 116.77 1iq3 h LYS 45 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1iq3 h LYS 45 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1iq3 h LYS 45 CO 0.01 0.00 -0.34 -0.97 -2.81 0.00 0.00 179.45 175.34 1iq3 h ASN 46 N 0.00 -0.82 1.64 4.20 -0.73 -0.22 -3.01 115.58 116.64 1iq3 h ASN 46 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1iq3 h ASN 46 Cb 0.28 0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1iq3 h ASN 46 CO 0.00 -0.56 -0.27 2.19 -0.37 0.00 0.00 177.43 178.42 1iq3 h PHE 47 N -0.91 0.00 0.00 0.67 -5.15 -1.54 -3.28 116.94 106.72 1iq3 h PHE 47 Ca -0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.68 1iq3 h PHE 47 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.88 1iq3 h PHE 47 CO -0.05 0.00 0.37 0.74 -2.00 0.00 0.00 178.31 177.37 1iq3 h PHE 48 N 0.00 0.00 0.00 6.09 -1.00 -1.22 -1.70 116.94 119.11 1iq3 h PHE 48 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1iq3 h PHE 48 Cb 0.95 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.51 1iq3 h PHE 48 CO 0.00 0.00 0.20 -2.37 -1.61 0.00 0.00 178.31 174.53 1iq3 n THR 49 N -2.62 0.81 -2.19 -1.55 5.66 -1.24 -3.90 114.28 109.26 1iq3 n THR 49 Ca -0.02 0.72 -0.42 0.00 -3.05 0.00 0.00 64.05 61.28 1iq3 n THR 49 Cb 0.41 -1.72 -0.00 0.00 -1.55 0.00 0.00 70.33 67.46 1iq3 n THR 49 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1iq3 n LYS 50 N -2.06 3.00 0.00 1.09 2.85 -0.64 -3.80 118.16 118.59 1iq3 n LYS 50 Ca -0.01 -2.96 0.00 0.00 -1.05 0.00 0.00 58.31 54.29 1iq3 n LYS 50 Cb 0.22 -3.41 0.00 0.00 -0.65 0.00 0.00 35.03 31.19 1iq3 n LYS 50 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1iq3 n SER 51 N 7.53 0.00 -0.07 -5.58 3.41 -1.25 -4.92 113.62 112.73 1iq3 n SER 51 Ca 0.50 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.26 1iq3 n SER 51 Cb 0.43 0.14 0.70 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.13 0.67 0.00 4.33 2.85 -1.25 -4.80 118.16 117.83 1iq3 n LYS 52 Ca 0.00 -0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1iq3 n LYS 52 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 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 -1.04 0.00 0.00 -5.58 4.32 -1.26 -4.41 117.00 109.03 1iq3 n LEU 53 Ca 0.16 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.97 1iq3 n LEU 53 Cb 0.24 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.10 1iq3 n LEU 53 CO 0.22 0.00 0.32 -1.20 -1.22 0.00 0.00 177.39 175.52 1iq3 n SER 54 N 2.32 1.92 -2.77 -1.43 7.64 -1.26 -4.88 113.62 115.16 1iq3 n SER 54 Ca 0.00 -2.40 -0.02 0.00 1.01 0.00 0.00 58.87 57.47 1iq3 n SER 54 Cb 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 62.81 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1iq3 n ILE 55 N -2.12-10.26 -1.56 0.44 -0.00 -1.26 -4.70 119.36 99.89 1iq3 n ILE 55 Ca 0.14 1.83 -0.39 0.00 -0.00 0.00 0.00 62.75 64.33 1iq3 n ILE 55 Cb 0.54 -6.02 -0.04 0.00 -0.00 0.00 0.00 39.64 34.13 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1iq3 n PRO 56 N 1.21 1.32 -2.17 0.38 -0.02 -1.26 -4.76 135.00 129.69 1iq3 n PRO 56 Ca -0.12 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1iq3 n PRO 56 Cb 0.26 -3.26 0.04 0.00 -0.02 0.00 0.00 33.50 30.53 1iq3 n PRO 56 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iq3 n GLU 57 N 8.87 1.22 0.00 -0.52 1.02 -1.26 -4.84 120.64 125.12 1iq3 n GLU 57 Ca 0.36 -2.99 0.11 0.00 -0.02 0.00 0.00 57.16 54.62 1iq3 n GLU 57 Cb 0.48 -1.06 0.64 0.00 -0.02 0.00 0.00 31.44 31.48 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iq3 n LEU 58 N -0.23 0.00 -0.16 -4.62 4.77 -1.26 -3.55 117.00 111.95 1iq3 n LEU 58 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1iq3 n LEU 58 Cb 0.94 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1iq3 n LEU 58 CO 0.05 0.00 0.75 -1.28 -1.33 0.00 0.00 177.39 175.57 1iq3 h SER 59 N 0.00 0.87 0.84 -1.43 0.87 -2.00 -2.46 113.55 110.23 1iq3 h SER 59 Ca 0.00 -0.35 -0.24 0.00 -1.23 0.00 0.00 61.79 59.98 1iq3 h SER 59 Cb 0.00 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1iq3 h SER 59 CO 0.00 1.01 -1.12 0.10 -0.53 0.00 0.00 176.83 176.29 1iq3 h TYR 60 N 0.71 0.20 -0.72 2.24 -0.00 -1.99 -1.77 116.97 115.64 1iq3 h TYR 60 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 58.73 58.68 1iq3 h TYR 60 Cb 0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 36.73 37.30 1iq3 h TYR 60 CO 0.05 1.12 0.35 0.82 -0.00 0.00 0.00 178.16 180.50 1iq3 h ILE 61 N 0.03 1.22 0.15 -0.90 1.08 -1.69 -2.88 117.51 114.53 1iq3 h ILE 61 Ca -0.07 -0.61 -0.32 0.00 -0.39 0.00 0.00 64.86 63.47 1iq3 h ILE 61 Cb 1.86 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1iq3 h ILE 61 CO 0.16 0.26 -1.57 -0.25 -0.69 0.00 0.00 178.15 176.06 1iq3 h TRP 62 N 1.01 0.58 -1.06 1.37 2.91 -1.49 -2.91 115.95 116.36 1iq3 h TRP 62 Ca 0.25 -0.42 0.28 0.00 1.13 0.00 0.00 58.89 60.13 1iq3 h TRP 62 Cb 0.08 -0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 28.63 1iq3 h TRP 62 CO 0.01 1.47 0.71 1.49 -1.03 0.00 0.00 178.44 181.09 1iq3 h GLU 63 N 0.09 0.27 0.01 2.65 4.22 -1.11 0.90 114.58 121.60 1iq3 h GLU 63 Ca -0.26 -0.02 -0.31 0.00 0.08 0.00 0.00 59.36 58.85 1iq3 h GLU 63 Cb 2.05 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 31.19 1iq3 h GLU 63 CO 0.18 0.18 -1.79 1.28 -2.18 0.00 0.00 179.01 176.67 1iq3 n LEU 64 N -4.50 0.98 0.24 1.64 4.77 -1.13 -3.95 117.00 115.05 1iq3 n LEU 64 Ca 0.25 0.36 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 1iq3 n LEU 64 Cb 0.97 0.07 0.84 0.00 -2.33 0.00 0.00 43.42 42.97 1iq3 n LEU 64 CO 0.30 0.44 1.13 0.77 -1.33 0.00 0.00 177.39 178.70 1iq3 h SER 65 N 0.01 0.00 -3.51 -1.43 4.64 -0.63 -3.41 113.55 109.21 1iq3 h SER 65 Ca -0.32 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.33 1iq3 h SER 65 Cb 2.03 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.97 1iq3 h SER 65 CO 0.07 0.00 -0.70 -0.62 -0.87 0.00 0.00 176.83 174.71 1iq3 s ASP 66 N -6.15 4.69 -0.08 4.97 -1.08 -0.82 -4.81 116.67 113.40 1iq3 s ASP 66 Ca -0.05 -0.23 0.12 0.00 -0.52 0.00 0.00 52.55 51.87 1iq3 s ASP 66 Cb 0.16 -1.05 0.18 0.00 -1.46 0.00 0.00 42.92 40.75 1iq3 s ASP 66 CO 0.57 0.22 1.07 0.00 0.52 0.00 0.00 175.17 177.55 1iq3 n ALA 67 N 0.98 2.12 -1.68 3.66 0.00 -1.26 -4.70 120.51 119.62 1iq3 n ALA 67 Ca -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 53.44 51.30 1iq3 n ALA 67 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.00 -0.27 -2.88 0.00 5.68 -1.26 -4.97 116.55 111.84 1iq3 n ASP 68 Ca 0.10 -0.86 -0.11 0.00 -0.50 0.00 0.00 54.79 53.41 1iq3 n ASP 68 Cb 0.55 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.59 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 -1.59 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 114.58 1iq3 n ASP 70 Ca 0.03 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1iq3 n ASP 70 Cb 0.44 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 0.59 1.68 3.92 6.12 0.00 -1.26 -4.95 105.19 111.29 1iq3 n GLY 71 Ca 0.07 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.17 3.50 -0.03 4.61 0.00 -1.26 -1.64 121.76 126.76 1iq3 s ALA 72 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1iq3 s ALA 72 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.72 1iq3 s ALA 72 CO 0.00 -0.26 0.06 -0.51 0.00 0.00 0.00 175.76 175.05 1iq3 s LEU 73 N -4.61 0.84 0.67 0.00 1.02 -0.72 -4.91 118.68 110.97 1iq3 s LEU 73 Ca 0.45 0.09 -0.15 0.00 0.02 0.00 0.00 54.13 54.54 1iq3 s LEU 73 Cb -0.10 -0.01 0.01 0.00 0.02 0.00 0.00 46.19 46.11 1iq3 s LEU 73 CO 0.42 -0.16 1.12 0.42 0.02 0.00 0.00 176.35 178.18 1iq3 s THR 74 N 1.30 3.12 0.26 5.49 -4.23 -1.26 -0.26 115.64 120.06 1iq3 s THR 74 Ca -0.06 0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1iq3 s THR 74 Cb -0.13 -3.05 0.24 0.00 1.34 0.00 0.00 72.50 70.90 1iq3 s THR 74 CO -0.04 -0.32 1.76 0.25 -0.54 0.00 0.00 174.62 175.73 1iq3 h LEU 75 N -0.02 0.49 -1.52 4.79 6.46 -1.23 0.22 115.31 124.50 1iq3 h LEU 75 Ca -0.47 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.37 1iq3 h LEU 75 Cb 1.25 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.19 1iq3 h LEU 75 CO 0.53 0.21 0.12 -0.65 -0.62 0.00 0.00 178.44 178.03 1iq3 h PRO 76 N 0.59 0.44 0.00 5.25 0.11 -1.89 -0.12 132.00 136.39 1iq3 h PRO 76 Ca 0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1iq3 h PRO 76 Cb 0.64 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1iq3 h PRO 76 CO -0.36 0.37 -0.04 -0.85 -0.21 0.00 0.00 178.00 176.90 1iq3 n GLU 77 N -4.41 0.25 0.07 1.05 0.28 0.63 -3.09 120.64 115.42 1iq3 n GLU 77 Ca 0.02 0.19 -0.05 0.00 -0.16 0.00 0.00 57.16 57.15 1iq3 n GLU 77 Cb 0.13 -1.78 -0.08 0.00 1.43 0.00 0.00 31.44 31.15 1iq3 n GLU 77 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1iq3 h PHE 78 N 0.00 0.00 -0.86 -1.84 3.04 0.48 -3.09 116.94 114.67 1iq3 h PHE 78 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1iq3 h PHE 78 Cb 0.72 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.19 1iq3 h PHE 78 CO 0.00 0.92 0.57 0.00 -2.02 0.00 0.00 178.31 177.77 1iq3 h ALA 80 N 1.49 0.05 -1.01 0.00 0.00 -1.69 -3.09 119.26 115.00 1iq3 h ALA 80 Ca 0.33 -0.39 0.32 0.00 0.00 0.00 0.00 54.91 55.17 1iq3 h ALA 80 Cb -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.63 1iq3 h ALA 80 CO -0.09 -0.00 0.58 0.00 0.00 0.00 0.00 179.25 179.74 1iq3 h ALA 81 N 0.36 1.97 -0.30 0.00 0.00 -1.40 0.39 119.26 120.28 1iq3 h ALA 81 Ca -0.01 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1iq3 h ALA 81 Cb 0.82 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1iq3 h ALA 81 CO 0.03 -0.56 0.01 0.35 0.00 0.00 0.00 179.25 179.08 1iq3 h PHE 82 N 0.35 0.57 -0.96 0.00 3.57 -1.43 -2.88 116.94 116.16 1iq3 h PHE 82 Ca 0.72 -0.10 0.31 0.00 3.53 0.00 0.00 57.97 62.44 1iq3 h PHE 82 Cb 1.65 -0.15 -0.16 0.00 2.79 0.00 0.00 35.95 40.08 1iq3 h PHE 82 CO -0.01 0.65 0.37 0.45 -2.23 0.00 0.00 178.31 177.55 1iq3 h HIS 83 N 0.32 0.57 -0.36 0.41 3.86 -0.13 0.49 115.15 120.32 1iq3 h HIS 83 Ca 0.09 0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 1iq3 h HIS 83 Cb 0.42 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1iq3 h HIS 83 CO 0.03 -0.29 -0.12 -0.07 0.86 0.00 0.00 177.93 178.34 1iq3 h LEU 84 N 0.17 0.72 -2.09 2.43 3.38 -1.37 -2.49 115.31 116.06 1iq3 h LEU 84 Ca 0.68 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 58.31 1iq3 h LEU 84 Cb 1.55 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1iq3 h LEU 84 CO -0.71 0.94 0.32 0.40 0.09 0.00 0.00 178.44 179.49 1iq3 h ILE 85 N 0.50 0.17 0.10 1.22 5.03 0.08 0.13 117.51 124.74 1iq3 h ILE 85 Ca 0.09 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.54 1iq3 h ILE 85 Cb 0.64 0.71 -0.01 0.00 -3.03 0.00 0.00 36.82 35.13 1iq3 h ILE 85 CO 0.04 0.00 -1.40 0.58 -0.68 0.00 0.00 178.15 176.69 1iq3 h VAL 86 N 0.00 1.30 -0.47 1.67 2.07 -0.97 -3.27 116.25 116.57 1iq3 h VAL 86 Ca 0.07 -2.94 0.14 0.00 0.82 0.00 0.00 66.70 64.78 1iq3 h VAL 86 Cb 0.71 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1iq3 h VAL 86 CO -0.00 0.84 0.50 0.00 0.02 0.00 0.00 177.57 178.92 1iq3 h ALA 87 N 0.61 2.21 -0.48 1.67 0.00 -0.63 0.40 119.26 123.04 1iq3 h ALA 87 Ca -0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1iq3 h ALA 87 Cb 1.97 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1iq3 h ALA 87 CO 0.16 -0.74 0.22 0.00 0.00 0.00 0.00 179.25 178.90 1iq3 h ARG 88 N 0.00 0.69 -0.72 0.00 2.47 -1.61 -1.74 114.38 113.48 1iq3 h ARG 88 Ca 0.22 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1iq3 h ARG 88 Cb 1.22 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1iq3 h ARG 88 CO -0.00 0.59 0.00 1.63 0.56 0.00 0.00 179.97 182.75 1iq3 n LYS 89 N -4.62 2.00 -1.48 0.04 4.01 0.08 -4.83 118.16 113.36 1iq3 n LYS 89 Ca 0.01 -0.90 -0.14 0.00 -0.51 0.00 0.00 58.31 56.78 1iq3 n LYS 89 Cb 0.12 -1.59 -0.05 0.00 -0.51 0.00 0.00 35.03 32.99 1iq3 n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1iq3 n ASN 90 N 0.17 -4.63 -0.05 4.39 2.85 -0.65 -4.87 115.26 112.46 1iq3 n ASN 90 Ca 0.08 0.31 -0.10 0.00 -0.11 0.00 0.00 54.58 54.76 1iq3 n ASN 90 Cb 0.45 -3.39 0.04 0.00 1.24 0.00 0.00 39.78 38.11 1iq3 n ASN 90 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1iq3 h GLY 91 N 0.00 0.80 -6.08 8.20 0.00 -1.61 -3.48 103.07 100.90 1iq3 h GLY 91 Ca -0.29 -0.84 -0.25 0.00 0.00 0.00 0.00 47.33 45.96 1iq3 h GLY 91 CO 0.41 0.76 -0.93 -1.72 0.00 0.00 0.00 176.54 175.06 1iq3 n TYR 92 N -4.03 -2.98 -2.41 5.60 4.02 -1.26 -4.76 117.16 111.35 1iq3 n TYR 92 Ca -0.02 1.23 -0.38 0.00 -0.01 0.00 0.00 57.90 58.72 1iq3 n TYR 92 Cb 0.55 -2.70 -0.02 0.00 -0.02 0.00 0.00 39.34 37.15 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 -2.60 3.43 0.37 -0.72 0.05 -1.26 -4.72 135.00 129.55 1iq3 s PRO 93 Ca 0.32 -1.49 0.00 0.00 0.05 0.00 0.00 61.00 59.87 1iq3 s PRO 93 Cb -0.05 -5.39 0.00 0.00 0.05 0.00 0.00 34.50 29.11 1iq3 s PRO 93 CO 0.84 -2.77 0.00 -0.11 0.05 0.00 0.00 177.00 175.01 1iq3 n LEU 94 N 10.44 -6.43 -4.61 -3.56 0.00 -1.26 -4.67 117.00 106.90 1iq3 n LEU 94 Ca 0.44 3.26 -0.43 0.00 0.00 0.00 0.00 56.01 59.28 1iq3 n LEU 94 Cb 0.47 -3.13 -0.03 0.00 0.00 0.00 0.00 43.42 40.73 1iq3 n LEU 94 CO 0.71 -0.70 1.79 -2.16 0.00 0.00 0.00 177.39 177.04 1iq3 s PRO 95 N -2.06 3.33 0.00 1.96 0.04 -1.26 -4.96 135.00 132.05 1iq3 s PRO 95 Ca 0.00 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1iq3 s PRO 95 Cb 0.00 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1iq3 s PRO 95 CO 0.00 -1.87 0.00 -0.85 0.04 0.00 0.00 177.00 174.32 1iq3 n GLU 96 N 8.51 3.65 0.00 4.56 0.28 -1.26 -5.05 120.64 131.33 1iq3 n GLU 96 Ca 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 1iq3 n GLU 96 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iq3 n GLY 97 N 5.00 -0.78 2.06 -1.84 0.00 -1.26 -4.95 105.19 103.42 1iq3 n GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iq3 n GLY 97 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iq3 n LEU 98 N 0.00 -5.80 -0.03 0.99 7.94 -1.26 -4.78 117.00 114.07 1iq3 n LEU 98 Ca 0.00 3.23 -0.14 0.00 -1.11 0.00 0.00 56.01 57.98 1iq3 n LEU 98 Cb 0.00 -3.12 -0.10 0.00 0.53 0.00 0.00 43.42 40.73 1iq3 n LEU 98 CO 0.00 -1.54 0.50 1.55 -1.11 0.00 0.00 177.39 176.79 1iq3 h PRO 99 N 4.18 -0.52 -6.42 1.96 0.13 -1.96 -3.38 132.00 125.99 1iq3 h PRO 99 Ca 0.00 0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.63 1iq3 h PRO 99 Cb 0.00 0.12 0.02 0.00 0.13 0.00 0.00 31.00 31.27 1iq3 h PRO 99 CO 0.00 -0.35 1.11 -1.25 -0.23 0.00 0.00 178.00 177.28 1iq3 s PRO 100 N -5.59 4.16 -0.38 1.56 0.04 -1.26 -4.92 135.00 128.62 1iq3 s PRO 100 Ca -0.15 2.47 0.12 0.00 0.04 0.00 0.00 61.00 63.48 1iq3 s PRO 100 Cb 0.07 -3.81 0.35 0.00 0.04 0.00 0.00 34.50 31.16 1iq3 s PRO 100 CO 0.59 -0.84 0.74 0.25 0.04 0.00 0.00 177.00 177.77 1iq3 n THR 101 N 5.06 -0.05 -0.05 1.26 -2.24 -1.26 -4.89 114.28 112.11 1iq3 n THR 101 Ca 0.18 -4.60 -0.08 0.00 -2.27 0.00 0.00 64.05 57.28 1iq3 n THR 101 Cb 0.40 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.26 2.48 -1.58 3.22 -0.00 -1.26 -5.12 117.00 114.99 1iq3 n LEU 102 Ca 0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1iq3 n LEU 102 Cb 0.65 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1iq3 n LEU 102 CO 0.22 0.57 -0.38 1.67 -0.00 0.00 0.00 177.39 179.46 1iq3 n GLN 103 N -2.95 -4.30 -1.63 1.96 7.27 -1.26 -4.54 117.38 111.93 1iq3 n GLN 103 Ca -0.19 3.11 -0.15 0.00 0.07 0.00 0.00 57.00 59.85 1iq3 n GLN 103 Cb 0.68 -3.37 -0.09 0.00 2.41 0.00 0.00 30.24 29.87 1iq3 n GLN 103 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1iq3 s PRO 104 N -2.07 1.48 0.50 3.69 0.02 -1.26 -4.72 135.00 132.64 1iq3 s PRO 104 Ca 0.00 -0.04 0.22 0.00 0.02 0.00 0.00 61.00 61.20 1iq3 s PRO 104 Cb 0.00 -4.91 1.32 0.00 0.02 0.00 0.00 34.50 30.93 1iq3 s PRO 104 CO 0.00 -4.88 2.07 1.49 -0.33 0.00 0.00 177.00 175.34 1iq3 h GLU 105 N 12.00 0.00 -1.31 5.54 4.81 -1.95 -2.53 114.58 131.14 1iq3 h GLU 105 Ca 0.02 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.74 1iq3 h GLU 105 Cb 1.00 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.16 1iq3 h GLU 105 CO 1.03 0.13 0.66 1.19 -0.73 0.00 0.00 179.01 181.28 1iq3 n PHE 106 N -3.95 2.39 0.00 0.92 3.01 -1.26 -4.34 117.46 114.23 1iq3 n PHE 106 Ca -0.02 -2.49 0.00 0.00 1.01 0.00 0.00 57.45 55.95 1iq3 n PHE 106 Cb 0.22 -1.22 0.00 0.00 -0.01 0.00 0.00 39.48 38.47 1iq3 n PHE 106 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1iq3 n ILE 107 N -0.26 0.00 -1.87 4.37 5.41 -0.99 -5.11 119.36 120.91 1iq3 n ILE 107 Ca 0.47 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.82 1iq3 n ILE 107 Cb 0.60 -0.06 0.01 0.00 -0.71 0.00 0.00 39.64 39.48 1iq3 n ILE 107 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1iq3 s VAL 108 N -1.75 2.21 -0.18 1.39 1.01 -1.00 -4.94 120.40 117.14 1iq3 s VAL 108 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1iq3 s VAL 108 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1iq3 s VAL 108 CO 0.00 0.03 -0.20 0.41 0.00 0.00 0.00 175.10 175.34 1iq3 n THR 109 N 0.06 1.02 -0.33 3.92 -1.04 -1.26 -4.99 114.28 111.65 1iq3 n THR 109 Ca 0.04 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1iq3 n THR 109 Cb 0.42 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90