#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 5.79 -0.11 1.61 0.01 -1.26 -5.06 113.70 114.69 1iq3 s SER 2 Ca 0.00 1.58 0.01 0.00 1.31 0.00 0.00 55.95 58.85 1iq3 s SER 2 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.75 1iq3 s SER 2 CO 0.00 -1.16 -0.13 -0.76 0.41 0.00 0.00 173.24 171.60 1iq3 s LEU 3 N -5.18 1.59 -0.01 2.44 1.02 -1.26 -5.12 118.68 112.16 1iq3 s LEU 3 Ca 0.58 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 54.35 1iq3 s LEU 3 Cb -0.13 -0.99 0.01 0.00 0.02 0.00 0.00 46.19 45.10 1iq3 s LEU 3 CO 0.50 -0.02 -0.02 -1.58 0.02 0.00 0.00 176.35 175.26 1iq3 s GLN 4 N 1.13 0.23 0.00 1.70 0.74 -1.26 -5.02 119.66 117.19 1iq3 s GLN 4 Ca -0.04 -0.03 0.14 0.00 0.05 0.00 0.00 55.36 55.47 1iq3 s GLN 4 Cb -0.14 -0.29 0.32 0.00 1.10 0.00 0.00 33.01 34.00 1iq3 s GLN 4 CO -0.03 -0.01 1.24 -3.47 -0.55 0.00 0.00 175.29 172.46 1iq3 n ASP 5 N 3.40 2.95 -3.38 6.67 -0.08 -1.26 -5.00 116.55 119.86 1iq3 n ASP 5 Ca -0.18 -1.90 -0.19 0.00 -1.51 0.00 0.00 54.79 51.01 1iq3 n ASP 5 Cb 0.56 -0.22 0.05 0.00 2.34 0.00 0.00 41.12 43.85 1iq3 n ASP 5 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1iq3 n ASN 6 N 0.81 -6.31 -4.41 1.67 3.02 -1.26 -4.99 115.26 103.79 1iq3 n ASN 6 Ca 0.13 -0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 53.59 1iq3 n ASN 6 Cb 0.45 -4.57 -0.14 0.00 -0.61 0.00 0.00 39.78 34.91 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1iq3 s SER 7 N -3.37 4.25 0.23 6.41 0.15 -1.26 -5.12 113.70 114.99 1iq3 s SER 7 Ca 0.42 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.85 1iq3 s SER 7 Cb -0.09 -1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 1iq3 s SER 7 CO 0.78 0.16 0.35 -0.44 1.20 0.00 0.00 173.24 175.29 1iq3 s SER 8 N 0.37 6.29 0.56 5.45 0.01 -1.26 -4.97 113.70 120.14 1iq3 s SER 8 Ca -0.09 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1iq3 s SER 8 Cb -0.15 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.23 1iq3 s SER 8 CO 0.05 -0.06 0.00 -1.22 0.41 0.00 0.00 173.24 172.42 1iq3 n TYR 9 N -1.31 -4.06 0.00 2.43 4.02 -1.26 -4.93 117.16 112.04 1iq3 n TYR 9 Ca -0.09 2.20 0.00 0.00 -0.01 0.00 0.00 57.90 60.00 1iq3 n TYR 9 Cb 0.57 -3.44 0.00 0.00 -0.02 0.00 0.00 39.34 36.45 1iq3 n TYR 9 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1iq3 n PRO 10 N -2.48 1.20 -0.52 -0.72 -0.04 -1.26 -4.97 135.00 126.21 1iq3 n PRO 10 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1iq3 n PRO 10 Cb 0.44 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.02 1iq3 n PRO 10 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1iq3 n ASP 11 N 0.00 1.59 -4.19 3.54 5.68 -1.26 -5.04 116.55 116.86 1iq3 n ASP 11 Ca 0.00 -3.05 -0.35 0.00 -0.50 0.00 0.00 54.79 50.89 1iq3 n ASP 11 Cb 0.00 -0.41 0.11 0.00 -1.14 0.00 0.00 41.12 39.68 1iq3 n ASP 11 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1iq3 n GLU 12 N -0.84 -0.70 -1.27 0.11 0.28 -1.26 -4.29 120.64 112.67 1iq3 n GLU 12 Ca 0.13 -0.19 -0.08 0.00 -0.16 0.00 0.00 57.16 56.87 1iq3 n GLU 12 Cb 0.74 -1.45 -0.07 0.00 1.43 0.00 0.00 31.44 32.09 1iq3 n GLU 12 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1iq3 n PRO 13 N -0.16 0.06 -0.12 3.44 -0.02 -1.26 -4.54 135.00 132.40 1iq3 n PRO 13 Ca 0.01 -0.54 0.07 0.00 -2.02 0.00 0.00 63.50 61.01 1iq3 n PRO 13 Cb 0.63 -2.03 0.13 0.00 -0.02 0.00 0.00 33.50 32.22 1iq3 n PRO 13 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1iq3 n TRP 14 N 10.05 0.32 0.00 6.00 2.14 -1.26 -4.98 117.44 129.71 1iq3 n TRP 14 Ca 0.23 -0.27 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1iq3 n TRP 14 Cb 0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 31.31 30.93 1iq3 n TRP 14 CO 0.00 0.00 0.00 2.89 2.07 0.00 0.00 177.69 182.65 1iq3 n ARG 15 N 0.79 2.43 0.00 -2.67 0.00 -1.26 -4.95 116.66 111.00 1iq3 n ARG 15 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1iq3 n ARG 15 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.88 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 0.00 0.00 -3.21 8.89 0.13 -1.26 -4.98 119.36 118.93 1iq3 n ILE 16 Ca 0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.41 1iq3 n ILE 16 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.73 1iq3 n ILE 16 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 1iq3 n THR 17 N -0.32 -0.78 -1.23 9.51 5.66 -1.26 -4.89 114.28 120.98 1iq3 n THR 17 Ca 0.00 -3.70 -0.11 0.00 -3.05 0.00 0.00 64.05 57.20 1iq3 n THR 17 Cb 0.00 -1.67 -0.05 0.00 -1.55 0.00 0.00 70.33 67.07 1iq3 n THR 17 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iq3 n GLU 18 N 1.78 -1.59 -0.07 1.09 1.02 -1.26 -4.72 120.64 116.89 1iq3 n GLU 18 Ca 0.22 0.76 -0.06 0.00 -0.02 0.00 0.00 57.16 58.07 1iq3 n GLU 18 Cb 0.52 -4.98 -0.12 0.00 -0.02 0.00 0.00 31.44 26.84 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 -1.06 1.39 0.00 3.49 -0.58 -1.26 -4.54 120.64 118.08 1iq3 n GLU 19 Ca -0.11 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1iq3 n GLU 19 Cb 0.49 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 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 -2.50 3.24 0.11 3.49 10.64 -1.26 -4.69 117.38 126.42 1iq3 n GLN 20 Ca -0.22 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 54.96 1iq3 n GLN 20 Cb 0.92 -0.25 -0.01 0.00 -0.86 0.00 0.00 30.24 30.05 1iq3 n GLN 20 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 1iq3 h ARG 21 N 0.00 0.00 -0.06 2.61 0.11 -1.93 -2.80 114.38 112.31 1iq3 h ARG 21 Ca 0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 1iq3 h ARG 21 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1iq3 h ARG 21 CO 0.00 0.50 -0.25 0.93 0.10 0.00 0.00 179.97 181.25 1iq3 h GLU 22 N 0.00 0.28 -0.74 0.08 4.39 -1.84 -1.17 114.58 115.58 1iq3 h GLU 22 Ca -0.03 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.40 1iq3 h GLU 22 Cb 1.45 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.11 1iq3 h GLU 22 CO 0.07 0.86 0.27 -0.92 -1.16 0.00 0.00 179.01 178.12 1iq3 h TYR 23 N -0.23 1.15 -0.45 4.33 3.20 -1.84 -2.18 116.97 120.95 1iq3 h TYR 23 Ca -0.01 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.65 1iq3 h TYR 23 Cb 0.90 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1iq3 h TYR 23 CO 0.13 0.89 -0.14 1.88 -1.64 0.00 0.00 178.16 179.29 1iq3 h TYR 24 N 1.07 0.92 -0.21 -3.82 0.05 -1.51 -2.58 116.97 110.90 1iq3 h TYR 24 Ca 0.24 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 1iq3 h TYR 24 Cb 0.25 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1iq3 h TYR 24 CO 0.02 0.91 -0.03 0.28 -1.05 0.00 0.00 178.16 178.29 1iq3 h VAL 25 N 0.74 1.15 -0.26 -2.88 2.07 -0.80 -1.39 116.25 114.88 1iq3 h VAL 25 Ca 0.12 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1iq3 h VAL 25 Cb 0.64 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1iq3 h VAL 25 CO 0.04 0.20 0.39 -1.13 0.02 0.00 0.00 177.57 177.09 1iq3 h ASN 26 N 0.30 0.00 0.00 0.57 -1.24 -0.98 -0.87 115.58 113.37 1iq3 h ASN 26 Ca 0.07 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.95 1iq3 h ASN 26 Cb 0.25 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1iq3 h ASN 26 CO 0.01 0.00 -0.75 -0.61 -1.29 0.00 0.00 177.43 174.78 1iq3 h GLN 27 N 0.00 0.00 0.00 6.67 5.75 -1.36 -3.31 115.11 122.86 1iq3 h GLN 27 Ca 0.13 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1iq3 h GLN 27 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1iq3 h GLN 27 CO -0.00 0.85 0.24 0.35 -2.65 0.00 0.00 178.83 177.62 1iq3 h PHE 28 N -1.00 0.00 -0.04 3.99 3.04 -1.21 -1.20 116.94 120.51 1iq3 h PHE 28 Ca -0.20 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.73 1iq3 h PHE 28 Cb 1.07 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.58 1iq3 h PHE 28 CO 0.11 0.00 -0.06 -0.09 -2.02 0.00 0.00 178.31 176.25 1iq3 h ARG 29 N 0.00 0.12 -0.74 1.11 2.43 -1.29 0.30 114.38 116.32 1iq3 h ARG 29 Ca 0.00 -0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.26 1iq3 h ARG 29 Cb 0.49 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 1iq3 h ARG 29 CO 0.00 0.61 0.21 1.03 -1.51 0.00 0.00 179.97 180.31 1iq3 h SER 30 N -0.36 0.09 1.46 -3.80 0.87 -1.34 0.37 113.55 110.85 1iq3 h SER 30 Ca 0.01 0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 1iq3 h SER 30 Cb 0.59 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1iq3 h SER 30 CO 0.01 0.00 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.98 1iq3 h LEU 31 N 0.32 0.00 -7.05 2.23 3.38 -1.59 -3.40 115.31 109.20 1iq3 h LEU 31 Ca 0.41 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.81 1iq3 h LEU 31 Cb 0.68 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.03 1iq3 h LEU 31 CO -0.47 0.27 -0.76 -1.10 0.09 0.00 0.00 178.44 176.46 1iq3 s GLN 32 N -3.24 0.64 0.29 1.13 -1.52 0.13 -4.99 119.66 112.10 1iq3 s GLN 32 Ca 0.04 -1.03 0.01 0.00 -1.95 0.00 0.00 55.36 52.43 1iq3 s GLN 32 Cb 0.08 -1.82 0.54 0.00 -0.22 0.00 0.00 33.01 31.58 1iq3 s GLN 32 CO 0.69 -1.01 1.86 -1.00 -0.25 0.00 0.00 175.29 175.58 1iq3 h PRO 33 N 8.03 0.99 -6.55 2.91 0.13 -1.70 -3.37 132.00 132.44 1iq3 h PRO 33 Ca -0.13 -0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.42 1iq3 h PRO 33 Cb 1.01 -0.22 0.23 0.00 0.13 0.00 0.00 31.00 32.14 1iq3 h PRO 33 CO 0.46 0.66 -1.07 -0.25 -0.23 0.00 0.00 178.00 177.56 1iq3 n ASP 34 N -4.56 -3.04 -0.24 1.44 8.00 -1.26 -4.84 116.55 112.05 1iq3 n ASP 34 Ca 0.17 0.20 -0.02 0.00 0.71 0.00 0.00 54.79 55.85 1iq3 n ASP 34 Cb 0.29 -1.02 0.18 0.00 -0.02 0.00 0.00 41.12 40.55 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 -1.50 1.06 0.00 -0.24 0.13 -1.99 -3.44 132.00 126.01 1iq3 h PRO 35 Ca -0.45 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1iq3 h PRO 35 Cb 1.31 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1iq3 h PRO 35 CO 0.32 0.77 0.00 0.43 -0.23 0.00 0.00 178.00 179.29 1iq3 n SER 36 N -4.36 0.00 -0.03 1.44 7.64 -1.26 -5.01 113.62 112.05 1iq3 n SER 36 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1iq3 n SER 36 Cb 0.09 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1iq3 n SER 36 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iq3 n SER 37 N -1.92 -0.77 -4.10 6.43 7.64 -1.26 -4.41 113.62 115.23 1iq3 n SER 37 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1iq3 n SER 37 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.00 1.01 0.40 1.43 -0.12 -1.26 -0.96 117.98 118.48 1iq3 s PHE 38 Ca 0.00 -0.35 -0.05 0.00 -0.05 0.00 0.00 56.93 56.48 1iq3 s PHE 38 Cb 0.00 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1iq3 s PHE 38 CO 0.00 0.01 0.68 0.42 -0.05 0.00 0.00 175.22 176.28 1iq3 s ILE 39 N -0.88 4.96 1.11 -4.49 1.01 -0.21 -4.72 121.20 117.98 1iq3 s ILE 39 Ca -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1iq3 s ILE 39 Cb -0.08 -3.81 0.25 0.00 0.01 0.00 0.00 42.46 38.83 1iq3 s ILE 39 CO 0.01 -0.62 1.05 -0.44 0.00 0.00 0.00 174.94 174.94 1iq3 s SER 40 N -3.73 1.44 0.00 3.58 0.01 -1.26 -1.54 113.70 112.21 1iq3 s SER 40 Ca 0.46 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.31 1iq3 s SER 40 Cb -0.10 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1iq3 s SER 40 CO 0.38 -3.92 0.04 0.61 0.41 0.00 0.00 173.24 170.75 1iq3 n GLY 41 N 0.50 0.44 0.38 3.44 0.00 0.10 -2.26 105.19 107.79 1iq3 n GLY 41 Ca 0.05 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.38 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 0.36 0.01 1.61 0.87 -1.95 0.36 113.55 114.80 1iq3 h SER 42 Ca 0.00 0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1iq3 h SER 42 Cb 0.00 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 1iq3 h SER 42 CO 0.00 -0.25 -0.19 0.58 -0.53 0.00 0.00 176.83 176.44 1iq3 h VAL 43 N 0.13 0.55 -0.29 2.23 2.07 -1.95 -0.38 116.25 118.62 1iq3 h VAL 43 Ca 0.80 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.31 1iq3 h VAL 43 Cb 2.18 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1iq3 h VAL 43 CO -0.59 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.14 1iq3 h ALA 44 N 0.59 0.38 0.00 1.67 0.00 0.14 -1.37 119.26 120.67 1iq3 h ALA 44 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1iq3 h ALA 44 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1iq3 h ALA 44 CO -0.17 -0.06 0.00 -0.22 0.00 0.00 0.00 179.25 178.80 1iq3 h LYS 45 N 0.34 0.00 -0.45 0.00 3.64 -0.95 -1.79 116.57 117.36 1iq3 h LYS 45 Ca 0.10 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1iq3 h LYS 45 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1iq3 h LYS 45 CO -0.01 0.00 -0.19 -0.97 -2.27 0.00 0.00 179.45 176.01 1iq3 h ASN 46 N 0.00 0.95 0.33 4.20 -0.73 0.12 -3.28 115.58 117.16 1iq3 h ASN 46 Ca 0.00 -0.39 -0.21 0.00 1.87 0.00 0.00 56.30 57.57 1iq3 h ASN 46 Cb 0.01 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.30 1iq3 h ASN 46 CO 0.00 1.13 -1.86 2.22 -0.37 0.00 0.00 177.43 178.55 1iq3 n PHE 47 N -4.18 0.48 0.31 0.67 1.16 -0.74 -4.09 117.46 111.07 1iq3 n PHE 47 Ca -0.00 0.16 0.17 0.00 -1.87 0.00 0.00 57.45 55.91 1iq3 n PHE 47 Cb 0.44 -0.95 0.88 0.00 -1.61 0.00 0.00 39.48 38.23 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 0.00 -0.21 2.97 0.04 -1.43 -1.78 116.94 116.53 1iq3 h PHE 48 Ca -0.26 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.57 1iq3 h PHE 48 Cb 1.71 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 1iq3 h PHE 48 CO 0.00 0.00 0.61 0.00 -0.60 0.00 0.00 178.31 178.32 1iq3 h THR 49 N 0.00 0.08 -0.68 -1.55 1.03 -1.71 -3.36 112.91 106.72 1iq3 h THR 49 Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 66.21 1iq3 h THR 49 Cb 0.58 0.43 -0.03 0.00 -1.07 0.00 0.00 68.15 68.07 1iq3 h THR 49 CO -0.00 0.00 0.53 -1.59 -0.01 0.00 0.00 175.52 174.45 1iq3 s LYS 50 N -4.23 2.18 0.01 0.00 0.00 -0.67 -3.85 119.74 113.17 1iq3 s LYS 50 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 55.97 56.06 1iq3 s LYS 50 Cb 0.09 -4.90 0.00 0.00 0.00 0.00 0.00 37.83 33.01 1iq3 s LYS 50 CO 0.30 -3.75 0.00 0.45 0.00 0.00 0.00 175.35 172.35 1iq3 n SER 51 N 15.76 -0.05 -0.01 0.03 2.88 -1.26 -4.83 113.62 126.14 1iq3 n SER 51 Ca 0.41 0.06 0.17 0.00 -1.33 0.00 0.00 58.87 58.18 1iq3 n SER 51 Cb 0.46 0.14 0.62 0.00 -0.75 0.00 0.00 64.21 64.68 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 0.13 -4.23 -1.46 2.10 -1.85 -3.45 116.57 107.81 1iq3 h LYS 52 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 1iq3 h LYS 52 Cb 0.00 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 1iq3 h LYS 52 CO 0.00 0.09 -0.08 1.28 -2.00 0.00 0.00 179.45 178.74 1iq3 n LEU 53 N -4.42 -0.28 0.00 7.07 4.77 -1.26 -4.17 117.00 118.71 1iq3 n LEU 53 Ca 0.09 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1iq3 n LEU 53 Cb 0.50 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1iq3 n LEU 53 CO 0.36 -0.05 0.00 -1.20 -1.33 0.00 0.00 177.39 175.16 1iq3 n SER 54 N -1.21 0.00 -4.72 -1.43 7.64 -1.26 -5.12 113.62 107.53 1iq3 n SER 54 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 1iq3 n SER 54 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1iq3 s ILE 55 N 0.34 3.89 -0.24 0.44 2.07 -1.26 -4.93 121.20 121.51 1iq3 s ILE 55 Ca 0.00 1.39 -0.28 0.00 -1.41 0.00 0.00 60.65 60.35 1iq3 s ILE 55 Cb 0.00 -3.89 -0.04 0.00 0.13 0.00 0.00 42.46 38.66 1iq3 s ILE 55 CO 0.00 0.13 2.05 -2.16 -1.91 0.00 0.00 174.94 173.05 1iq3 s PRO 56 N 0.84 3.26 -0.29 3.50 0.04 -1.26 -4.74 135.00 136.36 1iq3 s PRO 56 Ca 0.58 1.85 0.20 0.00 0.04 0.00 0.00 61.00 63.68 1iq3 s PRO 56 Cb -0.31 -4.30 0.48 0.00 0.04 0.00 0.00 34.50 30.42 1iq3 s PRO 56 CO 0.30 -1.95 1.08 0.39 0.04 0.00 0.00 177.00 176.87 1iq3 n GLU 57 N 8.56 1.46 -0.01 4.56 1.02 -1.26 -4.87 120.64 130.11 1iq3 n GLU 57 Ca 0.27 -3.23 0.11 0.00 -0.02 0.00 0.00 57.16 54.29 1iq3 n GLU 57 Cb 0.45 -1.31 0.62 0.00 -0.02 0.00 0.00 31.44 31.19 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 -0.44 0.26 -0.08 -4.62 4.77 -1.26 -3.75 117.00 111.88 1iq3 n LEU 58 Ca 0.06 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1iq3 n LEU 58 Cb 0.81 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1iq3 n LEU 58 CO 0.13 0.05 0.55 0.28 -1.33 0.00 0.00 177.39 177.08 1iq3 h SER 59 N 0.36 0.65 0.92 -1.43 0.02 -2.00 -2.74 113.55 109.33 1iq3 h SER 59 Ca 0.00 -0.49 -0.18 0.00 -0.84 0.00 0.00 61.79 60.28 1iq3 h SER 59 Cb 0.08 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1iq3 h SER 59 CO 0.00 1.01 -0.84 0.10 -1.14 0.00 0.00 176.83 175.96 1iq3 h TYR 60 N 0.30 0.00 0.27 3.45 -0.00 -1.97 -2.48 116.97 116.54 1iq3 h TYR 60 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 1iq3 h TYR 60 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.58 1iq3 h TYR 60 CO 0.08 0.84 -0.13 0.82 -0.00 0.00 0.00 178.16 179.77 1iq3 h ILE 61 N 0.00 0.77 -0.13 -0.90 1.08 -1.70 -2.48 117.51 114.15 1iq3 h ILE 61 Ca -0.01 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 64.14 1iq3 h ILE 61 Cb 1.53 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 36.17 1iq3 h ILE 61 CO 0.11 0.05 -0.35 -0.25 -0.69 0.00 0.00 178.15 177.02 1iq3 h TRP 62 N -0.48 0.30 -0.45 1.37 2.91 -1.57 -1.15 115.95 116.88 1iq3 h TRP 62 Ca -0.04 -0.07 0.07 0.00 1.13 0.00 0.00 58.89 59.98 1iq3 h TRP 62 Cb 0.36 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 1iq3 h TRP 62 CO -0.03 0.58 0.30 1.49 -1.03 0.00 0.00 178.44 179.76 1iq3 h GLU 63 N 0.22 0.32 0.00 2.65 4.22 -1.18 0.24 114.58 121.05 1iq3 h GLU 63 Ca 0.03 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1iq3 h GLU 63 Cb 0.73 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1iq3 h GLU 63 CO 0.06 0.21 -1.47 1.28 -2.18 0.00 0.00 179.01 176.90 1iq3 n LEU 64 N -4.47 0.52 0.18 1.64 4.77 -0.96 -3.99 117.00 114.69 1iq3 n LEU 64 Ca 0.06 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1iq3 n LEU 64 Cb 0.28 0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.60 1iq3 n LEU 64 CO 0.35 -0.04 0.79 0.77 -1.33 0.00 0.00 177.39 177.93 1iq3 h SER 65 N 0.00 0.00 -3.90 -1.43 4.64 -0.05 -3.42 113.55 109.38 1iq3 h SER 65 Ca -0.05 -0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.58 1iq3 h SER 65 Cb 1.15 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.99 1iq3 h SER 65 CO 0.01 0.00 -0.79 -0.62 -0.87 0.00 0.00 176.83 174.57 1iq3 s ASP 66 N -5.67 3.89 -0.20 4.97 2.15 -0.04 -4.69 116.67 117.08 1iq3 s ASP 66 Ca 0.08 -0.27 0.18 0.00 0.43 0.00 0.00 52.55 52.97 1iq3 s ASP 66 Cb 0.07 -0.99 0.41 0.00 -0.30 0.00 0.00 42.92 42.11 1iq3 s ASP 66 CO 0.66 0.29 1.22 0.00 -0.17 0.00 0.00 175.17 177.17 1iq3 n ALA 67 N 2.65 2.76 -1.95 3.66 0.00 -1.26 -4.84 120.51 121.52 1iq3 n ALA 67 Ca -0.17 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.27 1iq3 n ALA 67 Cb 0.52 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1iq3 n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iq3 n ASP 68 N -0.55 0.00 -2.37 0.00 8.00 -1.26 -4.98 116.55 115.39 1iq3 n ASP 68 Ca -0.03 -1.14 -0.06 0.00 0.71 0.00 0.00 54.79 54.27 1iq3 n ASP 68 Cb 0.88 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.94 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iq3 n ASP 70 N -1.27 0.43 0.00 0.00 5.75 -1.26 -4.97 116.55 115.23 1iq3 n ASP 70 Ca 0.02 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 1iq3 n ASP 70 Cb 0.38 1.61 0.00 0.00 -1.03 0.00 0.00 41.12 42.08 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 1.36 2.80 3.92 6.12 0.00 -1.26 -4.97 105.19 113.15 1iq3 n GLY 71 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.45 3.52 -0.21 4.61 0.00 -1.26 0.02 121.76 126.99 1iq3 s ALA 72 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1iq3 s ALA 72 Cb 0.00 -2.40 0.07 0.00 0.00 0.00 0.00 23.12 20.79 1iq3 s ALA 72 CO 0.00 -0.24 0.11 -0.51 0.00 0.00 0.00 175.76 175.12 1iq3 s LEU 73 N -4.59 0.40 1.32 0.00 1.02 -0.59 -4.87 118.68 111.38 1iq3 s LEU 73 Ca 0.45 -0.83 -0.20 0.00 0.02 0.00 0.00 54.13 53.57 1iq3 s LEU 73 Cb -0.10 -0.26 0.32 0.00 0.02 0.00 0.00 46.19 46.16 1iq3 s LEU 73 CO 0.41 -0.38 0.77 0.35 0.02 0.00 0.00 176.35 177.52 1iq3 n THR 74 N 5.27 0.00 -0.12 5.49 -2.24 -1.26 -1.04 114.28 120.38 1iq3 n THR 74 Ca -0.07 -0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.51 1iq3 n THR 74 Cb 0.47 -0.89 0.03 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.19 0.04 -2.01 3.22 5.85 -1.26 0.87 115.31 118.83 1iq3 h LEU 75 Ca -0.45 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.49 1iq3 h LEU 75 Cb 1.25 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1iq3 h LEU 75 CO 0.30 0.06 0.39 -0.65 -0.34 0.00 0.00 178.44 178.20 1iq3 h PRO 76 N 0.23 0.00 0.05 5.25 0.11 -1.88 0.24 132.00 135.99 1iq3 h PRO 76 Ca 0.19 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.04 1iq3 h PRO 76 Cb 0.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.35 1iq3 h PRO 76 CO -0.24 0.00 -1.08 0.93 -0.21 0.00 0.00 178.00 177.40 1iq3 h GLU 77 N 0.00 0.51 0.00 1.05 5.08 -1.12 -3.14 114.58 116.96 1iq3 h GLU 77 Ca 0.25 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1iq3 h GLU 77 Cb 1.04 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1iq3 h GLU 77 CO -0.00 1.24 0.00 0.35 -1.00 0.00 0.00 179.01 179.60 1iq3 h PHE 78 N 0.26 0.00 0.15 4.33 3.04 -0.35 -3.00 116.94 121.37 1iq3 h PHE 78 Ca -0.13 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.82 1iq3 h PHE 78 Cb 1.74 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.25 1iq3 h PHE 78 CO 0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 178.31 176.30 1iq3 h ALA 80 N -1.52 1.51 -0.50 0.00 0.00 -1.68 -1.94 119.26 115.13 1iq3 h ALA 80 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1iq3 h ALA 80 Cb 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1iq3 h ALA 80 CO 0.03 0.37 0.30 0.00 0.00 0.00 0.00 179.25 179.95 1iq3 h ALA 81 N 1.51 0.64 -0.04 0.00 0.00 -1.64 -2.59 119.26 117.15 1iq3 h ALA 81 Ca 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1iq3 h ALA 81 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1iq3 h ALA 81 CO -0.13 -0.01 0.02 0.35 0.00 0.00 0.00 179.25 179.48 1iq3 h PHE 82 N 0.59 0.06 -0.55 0.00 3.57 -1.02 -2.00 116.94 117.58 1iq3 h PHE 82 Ca 0.20 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.86 1iq3 h PHE 82 Cb 0.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1iq3 h PHE 82 CO -0.07 0.14 0.53 0.45 -2.23 0.00 0.00 178.31 177.13 1iq3 h HIS 83 N -0.05 0.00 0.02 0.41 3.86 -1.14 -0.16 115.15 118.08 1iq3 h HIS 83 Ca 0.01 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 1iq3 h HIS 83 Cb 0.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.59 1iq3 h HIS 83 CO -0.04 0.00 -0.56 -0.07 0.86 0.00 0.00 177.93 178.12 1iq3 h LEU 84 N 0.00 0.47 -1.03 2.43 3.38 -0.99 -0.16 115.31 119.41 1iq3 h LEU 84 Ca 0.26 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 1iq3 h LEU 84 Cb 1.31 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1iq3 h LEU 84 CO -0.00 1.20 0.29 0.40 0.09 0.00 0.00 178.44 180.41 1iq3 h ILE 85 N -0.21 1.23 0.00 1.22 5.03 -0.78 -2.54 117.51 121.46 1iq3 h ILE 85 Ca -0.07 -0.69 -0.13 0.00 -0.12 0.00 0.00 64.86 63.84 1iq3 h ILE 85 Cb 1.30 0.41 -0.02 0.00 -3.03 0.00 0.00 36.82 35.47 1iq3 h ILE 85 CO 0.11 0.28 -0.80 0.58 -0.68 0.00 0.00 178.15 177.64 1iq3 h VAL 86 N 0.97 0.83 0.00 1.67 2.07 -1.40 -3.21 116.25 117.18 1iq3 h VAL 86 Ca 0.23 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1iq3 h VAL 86 Cb 0.16 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1iq3 h VAL 86 CO -0.02 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.04 1iq3 n ALA 87 N -2.28 1.80 -0.10 1.67 0.00 -0.07 -2.96 120.51 118.56 1iq3 n ALA 87 Ca -0.01 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 1iq3 n ALA 87 Cb 0.78 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.86 1iq3 n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1iq3 n ARG 88 N -1.36 0.67 0.26 0.00 0.00 -1.14 -1.55 116.66 113.54 1iq3 n ARG 88 Ca 0.06 0.21 0.10 0.00 -0.00 0.00 0.00 57.85 58.22 1iq3 n ARG 88 Cb 0.14 -1.57 0.69 0.00 0.00 0.00 0.00 32.46 31.72 1iq3 n ARG 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1iq3 h LYS 89 N -0.14 0.00 0.00 -0.14 3.11 -1.61 -2.84 116.57 114.95 1iq3 h LYS 89 Ca -0.55 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.29 1iq3 h LYS 89 Cb 1.88 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1iq3 h LYS 89 CO -0.09 0.08 0.00 -1.71 -2.81 0.00 0.00 179.45 174.92 1iq3 n ASN 90 N -4.10 1.56 -4.12 4.20 2.85 -1.18 -5.00 115.26 109.47 1iq3 n ASN 90 Ca -0.03 -1.77 -0.30 0.00 -0.11 0.00 0.00 54.58 52.36 1iq3 n ASN 90 Cb 0.16 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.14 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 -0.39 -0.28 3.31 8.20 0.00 -0.59 -4.85 105.19 110.59 1iq3 n GLY 91 Ca 0.00 0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.54 -1.42 -0.51 1.61 4.02 -0.74 -4.92 117.16 110.65 1iq3 n TYR 92 Ca -0.29 0.15 -0.29 0.00 -0.01 0.00 0.00 57.90 57.46 1iq3 n TYR 92 Cb 0.67 -1.61 0.24 0.00 -0.02 0.00 0.00 39.34 38.62 1iq3 n TYR 92 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1iq3 n PRO 93 N -2.10 -2.33 -3.50 -0.72 -0.02 -1.26 -3.99 135.00 121.09 1iq3 n PRO 93 Ca 0.02 -0.65 -0.23 0.00 -2.02 0.00 0.00 63.50 60.62 1iq3 n PRO 93 Cb 0.60 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1iq3 n PRO 93 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1iq3 n LEU 94 N -4.27 -4.02 -4.56 2.45 0.00 -1.26 -4.76 117.00 100.58 1iq3 n LEU 94 Ca 0.02 -0.83 -0.26 0.00 0.00 0.00 0.00 56.01 54.95 1iq3 n LEU 94 Cb 0.56 -2.69 -0.05 0.00 0.00 0.00 0.00 43.42 41.24 1iq3 n LEU 94 CO 0.56 0.20 1.53 -2.16 0.00 0.00 0.00 177.39 177.51 1iq3 s PRO 95 N -5.16 2.05 0.46 1.96 0.04 -1.26 -4.92 135.00 128.17 1iq3 s PRO 95 Ca 0.40 0.63 0.05 0.00 0.04 0.00 0.00 61.00 62.12 1iq3 s PRO 95 Cb -0.11 -4.72 -0.03 0.00 0.04 0.00 0.00 34.50 29.67 1iq3 s PRO 95 CO 0.82 -3.70 0.11 -2.00 0.04 0.00 0.00 177.00 172.27 1iq3 s GLU 96 N 8.14 2.15 0.00 4.56 2.12 -1.26 -4.73 118.70 129.68 1iq3 s GLU 96 Ca 0.87 -2.11 0.00 0.00 0.36 0.00 0.00 54.97 54.09 1iq3 s GLU 96 Cb -0.13 -1.77 0.00 0.00 0.26 0.00 0.00 34.13 32.49 1iq3 s GLU 96 CO 0.13 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 1iq3 n GLY 97 N -1.25 0.67 3.15 -1.50 0.00 -1.26 -5.00 105.19 99.99 1iq3 n GLY 97 Ca -0.08 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.59 1iq3 n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iq3 s LEU 98 N 0.00 -1.03 0.00 0.99 0.20 -1.26 -4.99 118.68 112.59 1iq3 s LEU 98 Ca 0.00 0.19 -0.15 0.00 0.69 0.00 0.00 54.13 54.86 1iq3 s LEU 98 Cb 0.00 1.68 0.23 0.00 -0.43 0.00 0.00 46.19 47.67 1iq3 s LEU 98 CO 0.00 -0.19 0.53 -2.65 -0.29 0.00 0.00 176.35 173.75 1iq3 n PRO 99 N 5.30 -2.39 0.00 0.98 -0.02 -1.26 -4.76 135.00 132.85 1iq3 n PRO 99 Ca 0.05 -0.89 0.05 0.00 -2.02 0.00 0.00 63.50 60.70 1iq3 n PRO 99 Cb 0.55 -1.47 0.23 0.00 -0.02 0.00 0.00 33.50 32.79 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 -2.68 0.11 -0.44 0.52 -0.04 -1.26 -3.49 135.00 127.71 1iq3 n PRO 100 Ca 0.08 0.22 0.40 0.00 -0.04 0.00 0.00 63.50 64.17 1iq3 n PRO 100 Cb 0.37 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 32.98 1iq3 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iq3 h THR 101 N 0.00 0.05 -0.24 0.52 1.03 -2.04 -2.07 112.91 110.15 1iq3 h THR 101 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.18 1iq3 h THR 101 Cb 0.10 0.06 -0.25 0.00 -1.07 0.00 0.00 68.15 66.99 1iq3 h THR 101 CO 0.00 0.00 -0.63 -0.11 -0.01 0.00 0.00 175.52 174.77 1iq3 n LEU 102 N -3.64 -0.39 -4.51 0.00 0.00 -1.23 -5.13 117.00 102.10 1iq3 n LEU 102 Ca 0.33 -3.28 -0.38 0.00 0.00 0.00 0.00 56.01 52.67 1iq3 n LEU 102 Cb 1.71 0.22 0.04 0.00 0.00 0.00 0.00 43.42 45.39 1iq3 n LEU 102 CO 0.35 1.56 0.19 0.00 0.00 0.00 0.00 177.39 179.49 1iq3 n GLN 103 N -0.92 0.62 0.04 1.96 1.13 -0.78 -4.78 117.38 114.64 1iq3 n GLN 103 Ca -0.05 0.24 0.05 0.00 -1.94 0.00 0.00 57.00 55.30 1iq3 n GLN 103 Cb 0.85 -1.82 0.22 0.00 0.11 0.00 0.00 30.24 29.60 1iq3 n GLN 103 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1iq3 n PRO 104 N -0.28 0.04 0.00 -1.09 -0.04 -1.26 -1.66 135.00 130.71 1iq3 n PRO 104 Ca 0.12 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1iq3 n PRO 104 Cb 0.47 -1.60 0.79 0.00 -0.04 0.00 0.00 33.50 33.12 1iq3 n PRO 104 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iq3 n GLU 105 N -1.68 0.95 -2.70 0.54 1.02 -1.26 -3.91 120.64 113.59 1iq3 n GLU 105 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1iq3 n GLU 105 Cb 0.08 -1.44 0.10 0.00 -0.02 0.00 0.00 31.44 30.16 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1iq3 n PHE 106 N -0.94 -1.82 -0.01 -0.32 3.72 -0.66 -5.02 117.46 112.41 1iq3 n PHE 106 Ca 0.20 -2.13 -0.00 0.00 -0.05 0.00 0.00 57.45 55.47 1iq3 n PHE 106 Cb 0.09 1.22 -0.00 0.00 -0.94 0.00 0.00 39.48 39.85 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1iq3 h ILE 107 N 2.24 0.00 -3.96 4.37 2.04 -1.68 -3.46 117.51 117.06 1iq3 h ILE 107 Ca -0.23 -0.23 -0.32 0.00 1.00 0.00 0.00 64.86 65.08 1iq3 h ILE 107 Cb 1.26 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.12 1iq3 h ILE 107 CO 0.06 0.00 -0.75 -0.69 0.00 0.00 0.00 178.15 176.77 1iq3 s VAL 108 N -1.14 0.69 0.41 1.67 1.01 -1.26 -5.01 120.40 116.78 1iq3 s VAL 108 Ca -0.00 -1.09 0.35 0.00 0.00 0.00 0.00 61.98 61.23 1iq3 s VAL 108 Cb 0.00 -0.72 0.35 0.00 0.00 0.00 0.00 36.38 36.01 1iq3 s VAL 108 CO 0.00 -0.31 2.07 0.71 0.00 0.00 0.00 175.10 177.58 1iq3 h THR 109 N 4.47 0.00 -0.01 3.92 1.35 -2.01 -3.53 112.91 117.10 1iq3 h THR 109 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1iq3 h THR 109 Cb 1.20 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1iq3 h THR 109 CO 0.41 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 175.01