#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq3 s SER 2 N 0.00 7.41 -0.09 1.61 0.15 -1.26 -4.92 113.70 116.60 1iq3 s SER 2 Ca 0.00 1.92 0.13 0.00 0.70 0.00 0.00 55.95 58.70 1iq3 s SER 2 Cb 0.00 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 61.98 1iq3 s SER 2 CO 0.00 -0.12 1.16 0.18 1.20 0.00 0.00 173.24 175.65 1iq3 n LEU 3 N 2.59 -0.13 -4.22 3.45 4.77 -1.26 -5.13 117.00 117.07 1iq3 n LEU 3 Ca 0.02 -2.33 -0.34 0.00 -0.03 0.00 0.00 56.01 53.33 1iq3 n LEU 3 Cb 0.48 0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.74 1iq3 n LEU 3 CO 0.52 1.17 -0.79 0.00 -1.33 0.00 0.00 177.39 176.96 1iq3 n GLN 4 N -0.18 -0.39 -0.05 3.23 1.13 -1.26 -4.96 117.38 114.90 1iq3 n GLN 4 Ca -0.11 -0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 54.76 1iq3 n GLN 4 Cb 0.88 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.72 1iq3 n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1iq3 n ASP 5 N 0.66 2.02 -2.67 1.08 9.92 -1.26 -4.83 116.55 121.47 1iq3 n ASP 5 Ca 0.02 0.04 -0.08 0.00 -0.53 0.00 0.00 54.79 54.24 1iq3 n ASP 5 Cb 0.58 -0.24 0.03 0.00 -0.64 0.00 0.00 41.12 40.86 1iq3 n ASP 5 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1iq3 n ASN 6 N -3.14 1.95 -0.30 -2.24 5.15 -1.26 -4.84 115.26 110.58 1iq3 n ASN 6 Ca -0.20 -2.60 0.08 0.00 -0.60 0.00 0.00 54.58 51.26 1iq3 n ASN 6 Cb 0.68 -0.50 0.16 0.00 -0.53 0.00 0.00 39.78 39.59 1iq3 n ASN 6 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1iq3 n SER 7 N -0.33 2.06 -3.83 1.20 7.64 -1.26 -5.01 113.62 114.08 1iq3 n SER 7 Ca 0.13 -3.38 -0.12 0.00 1.01 0.00 0.00 58.87 56.50 1iq3 n SER 7 Cb 0.81 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1iq3 s SER 8 N -2.99 -0.12 0.24 6.43 1.04 -1.26 -5.11 113.70 111.93 1iq3 s SER 8 Ca 0.34 0.19 -0.31 0.00 0.48 0.00 0.00 55.95 56.65 1iq3 s SER 8 Cb 0.31 0.30 -0.14 0.00 0.10 0.00 0.00 66.02 66.59 1iq3 s SER 8 CO -0.01 -0.14 1.24 -1.22 0.98 0.00 0.00 173.24 174.09 1iq3 n TYR 9 N 2.58 1.72 -1.53 5.02 4.01 -1.26 -4.82 117.16 122.89 1iq3 n TYR 9 Ca -0.15 0.57 -0.40 0.00 -0.16 0.00 0.00 57.90 57.76 1iq3 n TYR 9 Cb 0.58 -2.36 -0.02 0.00 -0.31 0.00 0.00 39.34 37.23 1iq3 n TYR 9 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1iq3 n PRO 10 N 1.57 3.57 -2.73 -0.72 -0.04 -1.26 -4.38 135.00 131.00 1iq3 n PRO 10 Ca 0.12 -2.49 -0.08 0.00 -0.04 0.00 0.00 63.50 61.00 1iq3 n PRO 10 Cb 0.30 -2.92 0.09 0.00 -0.04 0.00 0.00 33.50 30.93 1iq3 n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iq3 n ASP 11 N 4.06 -1.43 -0.00 3.54 9.92 -1.26 -4.96 116.55 126.41 1iq3 n ASP 11 Ca 0.69 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.09 1iq3 n ASP 11 Cb 0.28 0.97 -0.11 0.00 -0.64 0.00 0.00 41.12 41.61 1iq3 n ASP 11 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1iq3 n GLU 12 N -0.22 0.64 0.05 -1.24 0.28 -1.26 -1.67 120.64 117.23 1iq3 n GLU 12 Ca 0.03 0.08 -0.16 0.00 -0.16 0.00 0.00 57.16 56.95 1iq3 n GLU 12 Cb 0.79 -1.69 -0.06 0.00 1.43 0.00 0.00 31.44 31.91 1iq3 n GLU 12 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1iq3 h PRO 13 N 0.00 0.55 0.00 3.44 0.13 -1.97 -3.37 132.00 130.78 1iq3 h PRO 13 Ca -0.21 -0.57 -0.13 0.00 -0.87 0.00 0.00 66.00 64.22 1iq3 h PRO 13 Cb 1.59 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.85 1iq3 h PRO 13 CO 0.03 1.19 -1.56 0.91 -0.23 0.00 0.00 178.00 178.34 1iq3 n TRP 14 N -3.81 0.00 -1.71 1.56 8.01 -1.26 -5.11 117.44 115.12 1iq3 n TRP 14 Ca -0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.11 1iq3 n TRP 14 Cb 0.84 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 29.74 1iq3 n TRP 14 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 1iq3 n ARG 15 N -2.25 -4.46 0.00 -0.99 0.63 -0.67 -5.08 116.66 103.84 1iq3 n ARG 15 Ca -0.12 3.25 0.00 0.00 -0.92 0.00 0.00 57.85 60.06 1iq3 n ARG 15 Cb 0.70 -3.42 0.00 0.00 0.45 0.00 0.00 32.46 30.19 1iq3 n ARG 15 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1iq3 n ILE 16 N 1.31 0.00 0.00 5.15 3.06 -1.26 -5.05 119.36 122.57 1iq3 n ILE 16 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1iq3 n ILE 16 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 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 0.00 0.00 0.96 9.51 -2.24 -1.26 -4.96 114.28 116.30 1iq3 n THR 17 Ca 0.00 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1iq3 n THR 17 Cb 0.00 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 68.70 1iq3 n THR 17 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iq3 n GLU 18 N 0.00 0.45 -0.14 -0.78 0.28 -1.26 -2.10 120.64 117.08 1iq3 n GLU 18 Ca 0.00 0.03 -0.10 0.00 -0.16 0.00 0.00 57.16 56.93 1iq3 n GLU 18 Cb 0.00 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1iq3 h GLU 19 N 0.00 0.71 0.00 3.44 4.39 -2.00 -3.18 114.58 117.94 1iq3 h GLU 19 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1iq3 h GLU 19 Cb 0.04 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1iq3 h GLU 19 CO 0.00 0.77 -0.90 0.00 -1.16 0.00 0.00 179.01 177.72 1iq3 n GLN 20 N -4.47 0.93 0.24 2.33 10.64 -1.20 -4.61 117.38 121.24 1iq3 n GLN 20 Ca -0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.29 1iq3 n GLN 20 Cb 0.26 -0.95 0.44 0.00 -0.86 0.00 0.00 30.24 29.13 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 0.00 2.61 2.43 -1.59 -1.65 114.38 116.18 1iq3 h ARG 21 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iq3 h ARG 21 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1iq3 h ARG 21 CO 0.00 0.09 -0.00 0.93 -1.51 0.00 0.00 179.97 179.48 1iq3 h GLU 22 N 0.00 -0.00 0.00 0.20 4.39 -1.73 -2.09 114.58 115.35 1iq3 h GLU 22 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1iq3 h GLU 22 Cb 0.77 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 1iq3 h GLU 22 CO 0.01 0.80 -0.51 -0.92 -1.16 0.00 0.00 179.01 177.23 1iq3 h TYR 23 N -0.81 0.00 0.03 4.33 3.20 -1.79 -1.39 116.97 120.54 1iq3 h TYR 23 Ca -0.00 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 1iq3 h TYR 23 Cb 0.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1iq3 h TYR 23 CO 0.21 0.51 -0.98 1.88 -1.64 0.00 0.00 178.16 178.14 1iq3 h TYR 24 N 0.00 0.22 0.00 -3.82 0.05 -1.38 -3.01 116.97 109.03 1iq3 h TYR 24 Ca -0.01 -0.14 -0.18 0.00 0.05 0.00 0.00 58.73 58.45 1iq3 h TYR 24 Cb 1.02 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 1iq3 h TYR 24 CO 0.00 1.03 -1.10 0.28 -1.05 0.00 0.00 178.16 177.32 1iq3 h VAL 25 N 0.06 0.99 0.00 -2.88 2.07 -1.31 -3.05 116.25 112.13 1iq3 h VAL 25 Ca -0.05 -2.57 -0.08 0.00 0.82 0.00 0.00 66.70 64.82 1iq3 h VAL 25 Cb 1.68 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.86 1iq3 h VAL 25 CO 0.14 0.56 -0.38 0.78 0.02 0.00 0.00 177.57 178.70 1iq3 h ASN 26 N 0.00 0.00 0.00 0.57 4.21 -1.31 -2.85 115.58 116.20 1iq3 h ASN 26 Ca -0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.41 1iq3 h ASN 26 Cb 1.66 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.86 1iq3 h ASN 26 CO 0.08 0.38 -0.24 -0.61 -1.29 0.00 0.00 177.43 175.75 1iq3 h GLN 27 N 0.00 0.00 -0.04 0.81 5.75 -1.60 -3.32 115.11 116.71 1iq3 h GLN 27 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1iq3 h GLN 27 Cb 1.08 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 1iq3 h GLN 27 CO 0.05 0.00 0.40 0.35 -2.65 0.00 0.00 178.83 176.98 1iq3 h PHE 28 N -0.96 0.00 -0.37 3.99 3.04 -1.67 0.68 116.94 121.66 1iq3 h PHE 28 Ca 0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1iq3 h PHE 28 Cb 0.24 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 1iq3 h PHE 28 CO -0.10 0.00 0.09 -0.09 -2.02 0.00 0.00 178.31 176.19 1iq3 h ARG 29 N 0.00 0.60 -0.62 1.11 2.43 -1.60 0.16 114.38 116.46 1iq3 h ARG 29 Ca 0.02 -0.14 0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1iq3 h ARG 29 Cb 0.83 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.21 1iq3 h ARG 29 CO -0.00 0.64 0.11 0.77 -1.51 0.00 0.00 179.97 179.98 1iq3 h SER 30 N 0.45 -0.05 1.69 -3.80 0.02 -0.97 0.37 113.55 111.27 1iq3 h SER 30 Ca 0.12 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1iq3 h SER 30 Cb 0.31 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1iq3 h SER 30 CO 0.00 -0.02 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.55 1iq3 h LEU 31 N 0.23 0.00 -6.82 5.07 3.38 -1.59 -3.39 115.31 112.19 1iq3 h LEU 31 Ca 0.33 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.72 1iq3 h LEU 31 Cb 0.51 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.87 1iq3 h LEU 31 CO -0.44 0.05 -0.79 -1.10 0.09 0.00 0.00 178.44 176.24 1iq3 s GLN 32 N -3.32 0.77 0.26 1.13 -1.52 0.12 -4.99 119.66 112.12 1iq3 s GLN 32 Ca 0.05 -1.42 -0.02 0.00 -1.95 0.00 0.00 55.36 52.03 1iq3 s GLN 32 Cb 0.06 -1.72 0.50 0.00 -0.22 0.00 0.00 33.01 31.63 1iq3 s GLN 32 CO 0.64 -1.14 1.78 -1.35 -0.25 0.00 0.00 175.29 174.98 1iq3 h PRO 33 N 7.24 0.69 -6.40 2.91 0.11 -1.57 -3.38 132.00 131.60 1iq3 h PRO 33 Ca -0.02 -0.04 -0.61 0.00 0.11 0.00 0.00 66.00 65.44 1iq3 h PRO 33 Cb 0.97 -0.16 0.12 0.00 0.11 0.00 0.00 31.00 32.05 1iq3 h PRO 33 CO 0.38 0.46 -0.10 -0.25 -0.21 0.00 0.00 178.00 178.28 1iq3 n ASP 34 N -4.81 0.35 -0.05 -2.05 8.00 -1.26 -4.85 116.55 111.89 1iq3 n ASP 34 Ca 0.16 1.07 -0.02 0.00 0.71 0.00 0.00 54.79 56.71 1iq3 n ASP 34 Cb 0.38 -1.21 0.23 0.00 -0.02 0.00 0.00 41.12 40.51 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1iq3 h PRO 35 N 1.44 0.64 -2.05 -0.24 0.13 -1.99 -3.37 132.00 126.57 1iq3 h PRO 35 Ca -0.39 -0.15 -0.50 0.00 -0.87 0.00 0.00 66.00 64.08 1iq3 h PRO 35 Cb 1.37 -0.08 -0.34 0.00 0.13 0.00 0.00 31.00 32.08 1iq3 h PRO 35 CO 0.57 0.66 -0.89 0.45 -0.23 0.00 0.00 178.00 178.56 1iq3 n SER 36 N -4.25 -1.02 -3.13 1.44 2.88 -1.26 -5.07 113.62 103.22 1iq3 n SER 36 Ca 0.02 -2.51 -0.17 0.00 -1.33 0.00 0.00 58.87 54.88 1iq3 n SER 36 Cb 0.27 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.59 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 2.73 1.64 -4.41 -3.46 7.64 -1.26 -4.90 113.62 111.60 1iq3 n SER 37 Ca 0.27 -2.32 -0.29 0.00 1.01 0.00 0.00 58.87 57.55 1iq3 n SER 37 Cb 0.50 0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 64.07 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 -2.35 2.34 -0.24 1.43 -0.12 -1.26 0.05 117.98 117.82 1iq3 s PHE 38 Ca 0.09 -0.36 -0.21 0.00 -0.05 0.00 0.00 56.93 56.40 1iq3 s PHE 38 Cb 0.00 -1.24 -0.02 0.00 -0.63 0.00 0.00 43.02 41.13 1iq3 s PHE 38 CO 0.06 0.37 0.63 0.42 -0.05 0.00 0.00 175.22 176.66 1iq3 s ILE 39 N -1.18 4.99 0.62 -4.49 1.01 -0.57 -4.82 121.20 116.76 1iq3 s ILE 39 Ca 0.16 1.15 0.23 0.00 0.00 0.00 0.00 60.65 62.19 1iq3 s ILE 39 Cb -0.10 -3.94 0.30 0.00 0.01 0.00 0.00 42.46 38.74 1iq3 s ILE 39 CO 0.07 0.05 1.49 0.28 0.00 0.00 0.00 174.94 176.83 1iq3 h SER 40 N 7.77 0.00 -5.00 3.58 0.02 -1.89 -1.06 113.55 116.97 1iq3 h SER 40 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1iq3 h SER 40 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1iq3 h SER 40 CO 0.77 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 1iq3 n GLY 41 N -1.55 2.52 3.99 -3.77 0.00 -1.20 -2.48 105.19 102.69 1iq3 n GLY 41 Ca 0.11 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1iq3 n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iq3 n SER 42 N 0.00 0.00 0.03 1.61 3.41 -1.26 -4.69 113.62 112.72 1iq3 n SER 42 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1iq3 n SER 42 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1iq3 n SER 42 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1iq3 h VAL 43 N 0.00 1.16 -0.00 -3.33 2.07 -1.95 -3.06 116.25 111.14 1iq3 h VAL 43 Ca 0.00 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1iq3 h VAL 43 Cb 0.00 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1iq3 h VAL 43 CO 0.00 0.17 -0.34 0.00 0.02 0.00 0.00 177.57 177.43 1iq3 n ALA 44 N -2.28 3.20 -0.11 1.67 0.00 -1.26 -3.84 120.51 117.88 1iq3 n ALA 44 Ca -0.08 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1iq3 n ALA 44 Cb 0.18 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1iq3 n ALA 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1iq3 h LYS 45 N 0.34 0.60 0.00 0.00 1.57 -1.88 -1.91 116.57 115.30 1iq3 h LYS 45 Ca 0.00 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1iq3 h LYS 45 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1iq3 h LYS 45 CO 0.00 0.74 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.38 1iq3 h ASN 46 N 0.40 0.00 -0.54 0.86 -1.24 -1.66 -2.44 115.58 110.96 1iq3 h ASN 46 Ca 0.09 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.19 1iq3 h ASN 46 Cb 0.48 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.46 1iq3 h ASN 46 CO 0.02 0.27 0.13 0.15 -1.29 0.00 0.00 177.43 176.71 1iq3 h PHE 47 N 0.00 0.22 0.00 0.67 3.57 -1.46 0.26 116.94 120.21 1iq3 h PHE 47 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1iq3 h PHE 47 Cb 0.52 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1iq3 h PHE 47 CO 0.00 0.01 -0.15 1.19 -2.23 0.00 0.00 178.31 177.13 1iq3 n PHE 48 N -5.09 0.14 -0.48 0.41 3.72 -0.96 -3.97 117.46 111.22 1iq3 n PHE 48 Ca 0.07 0.04 0.40 0.00 -0.05 0.00 0.00 57.45 57.90 1iq3 n PHE 48 Cb 0.27 -0.50 0.70 0.00 -0.94 0.00 0.00 39.48 39.00 1iq3 n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iq3 h THR 49 N 0.00 0.17 -2.52 4.37 1.03 -0.50 -3.29 112.91 112.17 1iq3 h THR 49 Ca 0.00 -0.03 -0.60 0.00 -0.01 0.00 0.00 66.41 65.78 1iq3 h THR 49 Cb 0.54 0.09 -0.12 0.00 -1.07 0.00 0.00 68.15 67.58 1iq3 h THR 49 CO 0.00 0.01 0.75 -1.59 -0.01 0.00 0.00 175.52 174.68 1iq3 s LYS 50 N -5.15 3.15 0.00 0.00 -2.85 -1.25 -4.16 119.74 109.47 1iq3 s LYS 50 Ca -0.07 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1iq3 s LYS 50 Cb 0.28 -4.24 0.00 0.00 -2.06 0.00 0.00 37.83 31.81 1iq3 s LYS 50 CO 0.84 -1.94 0.00 0.45 0.10 0.00 0.00 175.35 174.79 1iq3 n SER 51 N 8.31 0.00 -0.03 0.03 2.88 -1.24 -4.95 113.62 118.62 1iq3 n SER 51 Ca -0.00 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.76 1iq3 n SER 51 Cb 0.47 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.48 1iq3 n SER 51 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iq3 h LYS 52 N 0.00 0.00 -5.11 -1.46 2.10 -1.81 -3.46 116.57 106.83 1iq3 h LYS 52 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1iq3 h LYS 52 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 1iq3 h LYS 52 CO 0.00 0.00 -1.26 -0.11 -2.00 0.00 0.00 179.45 176.08 1iq3 n LEU 53 N -3.34 -7.20 0.00 7.07 0.00 -1.26 -4.12 117.00 108.15 1iq3 n LEU 53 Ca 0.14 1.81 0.00 0.00 0.00 0.00 0.00 56.01 57.96 1iq3 n LEU 53 Cb 1.09 -3.31 0.00 0.00 0.00 0.00 0.00 43.42 41.20 1iq3 n LEU 53 CO 0.23 -3.58 0.00 -0.24 0.00 0.00 0.00 177.39 173.79 1iq3 n SER 54 N 1.15 0.00 -4.71 1.96 2.88 -1.26 -4.67 113.62 108.98 1iq3 n SER 54 Ca -0.18 0.00 -0.57 0.00 -1.33 0.00 0.00 58.87 56.78 1iq3 n SER 54 Cb 0.29 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.68 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1iq3 n ILE 55 N 0.00 0.30 -1.95 2.46 -0.00 -1.26 -4.81 119.36 114.10 1iq3 n ILE 55 Ca 0.00 -0.05 -0.43 0.00 -0.00 0.00 0.00 62.75 62.27 1iq3 n ILE 55 Cb 0.00 -1.22 -0.03 0.00 -0.00 0.00 0.00 39.64 38.40 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1iq3 s PRO 56 N 3.46 3.77 -0.07 0.38 0.04 -1.26 -4.70 135.00 136.62 1iq3 s PRO 56 Ca 0.98 1.91 0.08 0.00 0.04 0.00 0.00 61.00 64.01 1iq3 s PRO 56 Cb -1.07 -4.11 0.17 0.00 0.04 0.00 0.00 34.50 29.54 1iq3 s PRO 56 CO 0.65 -1.34 1.13 -1.91 0.04 0.00 0.00 177.00 175.57 1iq3 n GLU 57 N 7.78 0.31 -0.18 4.56 2.13 -1.26 -4.90 120.64 129.08 1iq3 n GLU 57 Ca 0.21 -1.35 0.09 0.00 0.66 0.00 0.00 57.16 56.76 1iq3 n GLU 57 Cb 0.44 0.29 0.25 0.00 0.27 0.00 0.00 31.44 32.69 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 -0.19 2.30 0.17 4.31 4.77 -1.26 -4.06 117.00 123.05 1iq3 n LEU 58 Ca -0.18 -1.09 0.03 0.00 -0.03 0.00 0.00 56.01 54.75 1iq3 n LEU 58 Cb 0.82 -0.24 0.30 0.00 -2.33 0.00 0.00 43.42 41.97 1iq3 n LEU 58 CO -0.11 0.54 0.64 -1.28 -1.33 0.00 0.00 177.39 175.85 1iq3 h SER 59 N 2.70 0.00 1.26 -1.43 0.87 -2.00 -2.90 113.55 112.04 1iq3 h SER 59 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 1iq3 h SER 59 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1iq3 h SER 59 CO 0.00 0.44 -0.74 0.10 -0.53 0.00 0.00 176.83 176.10 1iq3 h TYR 60 N 0.00 0.00 -0.42 2.24 -0.00 -1.99 -1.49 116.97 115.31 1iq3 h TYR 60 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.61 1iq3 h TYR 60 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.63 1iq3 h TYR 60 CO 0.00 0.74 -0.19 0.82 -0.00 0.00 0.00 178.16 179.53 1iq3 h ILE 61 N 0.00 1.28 0.12 -0.90 1.08 -1.76 -2.67 117.51 114.66 1iq3 h ILE 61 Ca -0.01 -1.33 -0.28 0.00 -0.39 0.00 0.00 64.86 62.85 1iq3 h ILE 61 Cb 1.57 1.24 0.03 0.00 -3.07 0.00 0.00 36.82 36.59 1iq3 h ILE 61 CO 0.10 0.45 -1.18 -0.25 -0.69 0.00 0.00 178.15 176.58 1iq3 h TRP 62 N 0.69 0.95 -0.18 1.37 2.91 -1.57 -2.69 115.95 117.42 1iq3 h TRP 62 Ca 0.09 -0.60 0.05 0.00 1.13 0.00 0.00 58.89 59.56 1iq3 h TRP 62 Cb 0.75 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 1iq3 h TRP 62 CO 0.06 1.45 0.25 0.93 -1.03 0.00 0.00 178.44 180.09 1iq3 h GLU 63 N 0.18 0.00 0.00 2.65 5.08 -1.26 0.12 114.58 121.35 1iq3 h GLU 63 Ca -0.18 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.92 1iq3 h GLU 63 Cb 1.87 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.07 1iq3 h GLU 63 CO 0.23 0.00 -1.61 -0.07 -1.00 0.00 0.00 179.01 176.56 1iq3 h LEU 64 N 0.00 0.00 -1.06 1.33 3.38 -1.41 -3.33 115.31 114.21 1iq3 h LEU 64 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1iq3 h LEU 64 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1iq3 h LEU 64 CO -0.00 0.91 -0.41 0.77 0.09 0.00 0.00 178.44 179.80 1iq3 h SER 65 N 0.00 0.00 -1.84 -0.43 4.64 -0.45 -3.44 113.55 112.03 1iq3 h SER 65 Ca -0.25 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.64 1iq3 h SER 65 Cb 1.91 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 64.03 1iq3 h SER 65 CO 0.07 0.41 -0.16 -0.62 -0.87 0.00 0.00 176.83 175.67 1iq3 s ASP 66 N -6.63 5.45 0.00 4.97 2.15 -0.72 -4.66 116.67 117.22 1iq3 s ASP 66 Ca -0.01 -0.28 0.04 0.00 0.43 0.00 0.00 52.55 52.72 1iq3 s ASP 66 Cb 0.12 -0.68 0.06 0.00 -0.30 0.00 0.00 42.92 42.13 1iq3 s ASP 66 CO 0.70 -0.97 0.93 0.00 -0.17 0.00 0.00 175.17 175.67 1iq3 n ALA 67 N -2.09 2.13 -1.52 3.66 0.00 -1.26 -4.88 120.51 116.55 1iq3 n ALA 67 Ca 0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 53.44 52.52 1iq3 n ALA 67 Cb 0.59 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 0.07 -0.17 -2.59 0.00 5.68 -1.26 -4.96 116.55 113.32 1iq3 n ASP 68 Ca -0.00 -0.40 -0.07 0.00 -0.50 0.00 0.00 54.79 53.81 1iq3 n ASP 68 Cb 0.73 0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.75 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 -1.43 0.15 0.00 0.00 5.75 -1.26 -4.89 116.55 114.87 1iq3 n ASP 70 Ca 0.02 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1iq3 n ASP 70 Cb 0.42 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.08 2.59 3.97 6.12 0.00 -1.26 -5.00 105.19 112.68 1iq3 n GLY 71 Ca 0.06 -0.26 -0.21 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 -1.30 3.91 -0.10 4.61 0.00 -1.04 -3.23 121.76 124.61 1iq3 s ALA 72 Ca 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 1iq3 s ALA 72 Cb 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.37 1iq3 s ALA 72 CO 0.00 0.18 0.06 -0.51 0.00 0.00 0.00 175.76 175.49 1iq3 s LEU 73 N -4.05 0.35 1.04 0.00 1.02 -0.40 -4.79 118.68 111.85 1iq3 s LEU 73 Ca 0.36 -0.24 -0.18 0.00 0.02 0.00 0.00 54.13 54.09 1iq3 s LEU 73 Cb -0.09 -0.25 0.01 0.00 0.02 0.00 0.00 46.19 45.88 1iq3 s LEU 73 CO 0.30 -0.28 -0.20 0.35 0.02 0.00 0.00 176.35 176.54 1iq3 n THR 74 N 5.25 0.00 -0.25 5.49 -2.24 -1.26 -1.52 114.28 119.75 1iq3 n THR 74 Ca -0.05 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.45 1iq3 n THR 74 Cb 0.49 -0.45 0.08 0.00 -2.10 0.00 0.00 70.33 68.36 1iq3 n THR 74 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1iq3 h LEU 75 N -1.62 0.72 -2.15 3.22 6.46 -0.73 -0.03 115.31 121.18 1iq3 h LEU 75 Ca -0.47 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.36 1iq3 h LEU 75 Cb 1.33 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 1iq3 h LEU 75 CO 0.33 0.50 0.23 -0.65 -0.62 0.00 0.00 178.44 178.22 1iq3 h PRO 76 N 0.86 0.00 -0.11 5.25 0.11 -1.88 -0.48 132.00 135.75 1iq3 h PRO 76 Ca 0.28 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.17 1iq3 h PRO 76 Cb 0.02 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.14 1iq3 h PRO 76 CO -0.11 0.00 -0.81 0.93 -0.21 0.00 0.00 178.00 177.80 1iq3 h GLU 77 N 0.00 0.68 0.00 1.05 5.08 -1.28 -3.10 114.58 117.01 1iq3 h GLU 77 Ca 0.12 -0.59 -0.07 0.00 -1.00 0.00 0.00 59.36 57.82 1iq3 h GLU 77 Cb 0.57 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1iq3 h GLU 77 CO -0.00 1.20 -0.33 0.35 -1.00 0.00 0.00 179.01 179.23 1iq3 h PHE 78 N 0.45 0.00 -0.23 4.33 3.04 -0.92 -2.96 116.94 120.66 1iq3 h PHE 78 Ca -0.06 0.00 0.07 0.00 3.98 0.00 0.00 57.97 61.96 1iq3 h PHE 78 Cb 1.44 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.94 1iq3 h PHE 78 CO 0.08 0.33 0.29 0.00 -2.02 0.00 0.00 178.31 176.99 1iq3 n ALA 80 N -2.28 1.55 0.05 0.00 0.00 -1.13 -4.41 120.51 114.31 1iq3 n ALA 80 Ca 0.03 -1.13 0.04 0.00 0.00 0.00 0.00 53.44 52.38 1iq3 n ALA 80 Cb 0.42 -0.10 0.45 0.00 0.00 0.00 0.00 19.45 20.22 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 0.70 1.73 0.18 0.00 0.00 -1.26 -2.88 119.26 117.73 1iq3 h ALA 81 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1iq3 h ALA 81 Cb 2.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1iq3 h ALA 81 CO 0.01 0.24 -0.09 0.35 0.00 0.00 0.00 179.25 179.76 1iq3 h PHE 82 N 0.44 -0.23 -0.81 0.00 3.57 -1.65 -2.84 116.94 115.42 1iq3 h PHE 82 Ca 0.12 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.84 1iq3 h PHE 82 Cb -0.00 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1iq3 h PHE 82 CO 0.00 -0.14 0.92 1.12 -2.23 0.00 0.00 178.31 177.98 1iq3 h HIS 83 N -0.32 0.00 -0.01 0.41 2.07 -1.77 0.29 115.15 115.84 1iq3 h HIS 83 Ca -0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.49 1iq3 h HIS 83 Cb 0.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.17 1iq3 h HIS 83 CO 0.13 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.92 1iq3 h LEU 84 N 0.00 0.01 0.28 6.12 3.38 -1.28 -0.92 115.31 122.91 1iq3 h LEU 84 Ca 0.38 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1iq3 h LEU 84 Cb 2.23 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.94 1iq3 h LEU 84 CO -0.00 0.23 -0.39 0.40 0.09 0.00 0.00 178.44 178.77 1iq3 h ILE 85 N -0.22 0.21 -0.34 1.22 5.03 -0.30 -1.46 117.51 121.66 1iq3 h ILE 85 Ca 0.00 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.80 1iq3 h ILE 85 Cb 0.23 0.21 -0.02 0.00 -3.03 0.00 0.00 36.82 34.22 1iq3 h ILE 85 CO 0.00 0.00 0.23 0.58 -0.68 0.00 0.00 178.15 178.28 1iq3 h VAL 86 N -0.73 0.93 0.52 1.67 2.07 -1.55 -1.66 116.25 117.50 1iq3 h VAL 86 Ca -0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1iq3 h VAL 86 Cb 0.68 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1iq3 h VAL 86 CO -0.13 0.03 -0.37 0.00 0.02 0.00 0.00 177.57 177.12 1iq3 h ALA 87 N 1.82 -0.89 0.00 1.67 0.00 -0.08 -2.47 119.26 119.31 1iq3 h ALA 87 Ca 0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1iq3 h ALA 87 Cb 0.37 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1iq3 h ALA 87 CO -0.02 -1.03 -0.35 0.00 0.00 0.00 0.00 179.25 177.85 1iq3 h ARG 88 N -0.87 0.00 0.14 0.00 2.47 -1.17 0.23 114.38 115.18 1iq3 h ARG 88 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1iq3 h ARG 88 Cb 0.73 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 1iq3 h ARG 88 CO 0.02 0.35 -0.35 -0.22 0.56 0.00 0.00 179.97 180.33 1iq3 h LYS 89 N 0.00 -0.52 -0.74 0.04 1.63 -0.85 -1.55 116.57 114.59 1iq3 h LYS 89 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1iq3 h LYS 89 Cb 0.65 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1iq3 h LYS 89 CO 0.05 -0.34 0.00 -1.71 -3.45 0.00 0.00 179.45 173.99 1iq3 n ASN 90 N -4.44 2.70 -1.37 4.20 2.85 -1.09 -4.84 115.26 113.27 1iq3 n ASN 90 Ca -0.06 -2.31 -0.16 0.00 -0.11 0.00 0.00 54.58 51.93 1iq3 n ASN 90 Cb 0.28 -0.51 -0.07 0.00 1.24 0.00 0.00 39.78 40.72 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iq3 n GLY 91 N 0.38 1.56 3.53 8.20 0.00 -0.58 -4.83 105.19 113.44 1iq3 n GLY 91 Ca 0.11 0.00 -0.54 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 -2.16 0.90 -1.76 1.61 4.01 0.03 -4.79 117.16 115.00 1iq3 n TYR 92 Ca -0.16 0.86 -0.42 0.00 -0.16 0.00 0.00 57.90 58.02 1iq3 n TYR 92 Cb 0.58 -2.18 -0.03 0.00 -0.31 0.00 0.00 39.34 37.40 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 -0.03 4.15 -0.42 -0.72 0.04 -1.26 -4.76 135.00 132.01 1iq3 s PRO 93 Ca 0.83 2.54 0.03 0.00 0.04 0.00 0.00 61.00 64.44 1iq3 s PRO 93 Cb -1.07 -3.56 0.11 0.00 0.04 0.00 0.00 34.50 30.02 1iq3 s PRO 93 CO 0.53 -0.81 0.16 -1.17 0.04 0.00 0.00 177.00 175.75 1iq3 s LEU 94 N 2.60 4.75 0.51 -3.56 2.96 -1.26 -4.93 118.68 119.74 1iq3 s LEU 94 Ca 0.79 -2.42 0.23 0.00 -0.22 0.00 0.00 54.13 52.51 1iq3 s LEU 94 Cb -0.45 -1.68 1.34 0.00 0.50 0.00 0.00 46.19 45.91 1iq3 s LEU 94 CO 0.35 -0.36 2.07 1.55 -1.32 0.00 0.00 176.35 178.64 1iq3 h PRO 95 N 7.33 0.00 0.00 0.98 0.13 -1.95 -3.44 132.00 135.05 1iq3 h PRO 95 Ca -0.06 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.69 1iq3 h PRO 95 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1iq3 h PRO 95 CO 0.60 0.12 -0.13 -0.85 -0.23 0.00 0.00 178.00 177.52 1iq3 n GLU 96 N -3.93 0.82 0.00 0.86 0.00 -1.26 -4.87 120.64 112.26 1iq3 n GLU 96 Ca -0.02 -2.35 0.00 0.00 0.00 0.00 0.00 57.16 54.79 1iq3 n GLU 96 Cb 0.21 0.07 0.00 0.00 0.00 0.00 0.00 31.44 31.72 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1iq3 n GLY 97 N 0.14 1.62 3.58 -1.84 0.00 -1.26 -4.92 105.19 102.51 1iq3 n GLY 97 Ca 0.04 -0.74 -0.54 0.00 0.00 0.00 0.00 46.02 44.79 1iq3 n GLY 97 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iq3 n LEU 98 N 0.00 1.37 -0.11 0.99 -0.00 -1.26 -4.83 117.00 113.16 1iq3 n LEU 98 Ca 0.00 1.13 -0.06 0.00 -0.00 0.00 0.00 56.01 57.08 1iq3 n LEU 98 Cb 0.00 -1.14 0.02 0.00 -0.00 0.00 0.00 43.42 42.31 1iq3 n LEU 98 CO 0.00 -1.18 0.93 -0.65 -0.00 0.00 0.00 177.39 176.49 1iq3 h PRO 99 N 4.39 0.25 -5.76 1.47 0.11 -1.96 -3.29 132.00 127.20 1iq3 h PRO 99 Ca -0.48 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.04 1iq3 h PRO 99 Cb 1.35 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 1iq3 h PRO 99 CO 0.76 0.17 1.84 -1.25 -0.21 0.00 0.00 178.00 179.31 1iq3 s PRO 100 N -6.16 3.54 -0.06 1.05 0.04 -1.26 -4.72 135.00 127.42 1iq3 s PRO 100 Ca -0.13 -1.71 0.09 0.00 0.04 0.00 0.00 61.00 59.29 1iq3 s PRO 100 Cb 0.12 -5.44 0.37 0.00 0.04 0.00 0.00 34.50 29.59 1iq3 s PRO 100 CO 0.71 -2.75 1.18 2.41 0.04 0.00 0.00 177.00 178.59 1iq3 n THR 101 N 6.83 0.96 0.01 1.26 -1.04 -1.24 -4.26 114.28 116.80 1iq3 n THR 101 Ca 0.47 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1iq3 n THR 101 Cb 0.46 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1iq3 n THR 101 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1iq3 n LEU 102 N 0.42 0.15 -2.02 -4.42 0.00 -1.26 -5.01 117.00 104.86 1iq3 n LEU 102 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 56.01 56.18 1iq3 n LEU 102 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1iq3 n LEU 102 CO 0.12 -0.24 -0.47 1.67 0.00 0.00 0.00 177.39 178.48 1iq3 n GLN 103 N -2.99 -5.46 -1.99 1.96 7.27 -1.26 -4.60 117.38 110.31 1iq3 n GLN 103 Ca 0.00 3.88 -0.26 0.00 0.07 0.00 0.00 57.00 60.70 1iq3 n GLN 103 Cb 0.31 -4.16 -0.07 0.00 2.41 0.00 0.00 30.24 28.73 1iq3 n GLN 103 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1iq3 s PRO 104 N -0.80 2.32 -0.25 3.69 0.04 -1.26 -4.62 135.00 134.13 1iq3 s PRO 104 Ca 0.00 -0.82 0.17 0.00 0.04 0.00 0.00 61.00 60.39 1iq3 s PRO 104 Cb 0.00 -5.15 0.48 0.00 0.04 0.00 0.00 34.50 29.87 1iq3 s PRO 104 CO 0.00 -4.04 1.15 0.39 0.04 0.00 0.00 177.00 174.54 1iq3 n GLU 105 N 8.42 2.21 -3.17 4.56 -0.58 -1.26 -4.96 120.64 125.86 1iq3 n GLU 105 Ca 0.43 -3.60 -0.18 0.00 -0.42 0.00 0.00 57.16 53.39 1iq3 n GLU 105 Cb 0.47 -1.70 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1iq3 n PHE 106 N -0.57 -1.37 -0.03 -0.32 1.16 -1.26 -4.76 117.46 110.31 1iq3 n PHE 106 Ca 0.20 0.29 -0.10 0.00 -1.87 0.00 0.00 57.45 55.97 1iq3 n PHE 106 Cb 0.88 -1.23 -0.04 0.00 -1.61 0.00 0.00 39.48 37.48 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1iq3 h ILE 107 N -0.37 0.24 -3.13 1.97 1.08 -1.93 -3.38 117.51 111.99 1iq3 h ILE 107 Ca -0.26 0.00 -0.63 0.00 -0.39 0.00 0.00 64.86 63.58 1iq3 h ILE 107 Cb 1.03 0.24 -0.36 0.00 -3.07 0.00 0.00 36.82 34.67 1iq3 h ILE 107 CO 0.38 0.00 -0.84 -0.69 -0.69 0.00 0.00 178.15 176.31 1iq3 s VAL 108 N -5.97 1.78 -0.18 1.67 1.01 -1.26 -4.98 120.40 112.47 1iq3 s VAL 108 Ca -0.15 -0.80 0.21 0.00 0.00 0.00 0.00 61.98 61.24 1iq3 s VAL 108 Cb 0.11 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 1iq3 s VAL 108 CO 0.66 0.46 0.87 0.41 0.00 0.00 0.00 175.10 177.50 1iq3 n THR 109 N 4.70 0.64 0.13 3.92 -1.04 -1.26 -5.16 114.28 116.22 1iq3 n THR 109 Ca -0.18 -0.58 0.02 0.00 -2.04 0.00 0.00 64.05 61.27 1iq3 n THR 109 Cb 0.50 -0.36 0.01 0.00 -1.82 0.00 0.00 70.33 68.66 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90