#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 0.00 0.00 1.61 7.64 -1.26 -5.11 113.62 116.50 1iq3 n SER 2 Ca 0.00 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1iq3 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1iq3 n SER 2 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1iq3 n LEU 3 N 0.00 0.00 -4.90 -3.43 7.94 -1.26 -5.14 117.00 110.21 1iq3 n LEU 3 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 1iq3 n LEU 3 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1iq3 n LEU 3 CO 0.00 0.00 -0.02 -1.10 -1.11 0.00 0.00 177.39 175.16 1iq3 s GLN 4 N 4.10 3.57 -0.30 1.96 -1.52 -1.26 -5.08 119.66 121.14 1iq3 s GLN 4 Ca 0.00 -0.18 -0.10 0.00 -1.95 0.00 0.00 55.36 53.14 1iq3 s GLN 4 Cb 0.00 -2.91 0.18 0.00 -0.22 0.00 0.00 33.01 30.06 1iq3 s GLN 4 CO 0.00 0.52 0.95 0.34 -0.25 0.00 0.00 175.29 176.85 1iq3 s ASP 5 N -2.41 -0.67 0.52 5.90 2.15 -1.26 -5.14 116.67 115.76 1iq3 s ASP 5 Ca 0.39 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.70 1iq3 s ASP 5 Cb -0.12 1.53 0.00 0.00 -0.30 0.00 0.00 42.92 44.02 1iq3 s ASP 5 CO 0.25 -0.12 0.00 -3.20 -0.17 0.00 0.00 175.17 171.92 1iq3 n ASN 6 N 5.40 -6.47 -3.90 -0.34 2.85 -1.26 -4.98 115.26 106.56 1iq3 n ASN 6 Ca -0.02 1.21 -0.13 0.00 -0.11 0.00 0.00 54.58 55.52 1iq3 n ASN 6 Cb 0.54 -4.11 -0.14 0.00 1.24 0.00 0.00 39.78 37.31 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1iq3 s SER 7 N -6.70 0.23 0.00 1.20 0.01 -1.26 -5.09 113.70 102.09 1iq3 s SER 7 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1iq3 s SER 7 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1iq3 s SER 7 CO 0.00 0.02 0.46 -1.54 0.41 0.00 0.00 173.24 172.59 1iq3 n SER 8 N 3.03 0.00 -2.72 2.44 3.41 -1.26 -4.85 113.62 113.68 1iq3 n SER 8 Ca -0.12 0.46 -0.07 0.00 -0.26 0.00 0.00 58.87 58.88 1iq3 n SER 8 Cb 0.59 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1iq3 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iq3 n TYR 9 N -0.48 -2.25 0.00 7.33 0.18 -1.26 -5.15 117.16 115.53 1iq3 n TYR 9 Ca 0.00 -1.34 0.00 0.00 1.88 0.00 0.00 57.90 58.44 1iq3 n TYR 9 Cb 0.00 1.38 0.00 0.00 -0.38 0.00 0.00 39.34 40.34 1iq3 n TYR 9 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1iq3 n PRO 10 N 1.61 1.01 -3.66 -3.48 -0.04 -1.26 -4.91 135.00 124.26 1iq3 n PRO 10 Ca 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1iq3 n PRO 10 Cb 0.66 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.04 1iq3 n PRO 10 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1iq3 s ASP 11 N -1.99 -0.58 -0.12 3.54 -4.77 -1.26 -5.01 116.67 106.47 1iq3 s ASP 11 Ca 0.00 1.19 -0.17 0.00 -3.30 0.00 0.00 52.55 50.26 1iq3 s ASP 11 Cb 0.00 1.58 -0.26 0.00 -1.09 0.00 0.00 42.92 43.16 1iq3 s ASP 11 CO 0.00 -0.23 0.51 -0.33 0.70 0.00 0.00 175.17 175.82 1iq3 h GLU 12 N 7.96 0.19 -0.69 2.11 5.08 -2.03 -3.33 114.58 123.87 1iq3 h GLU 12 Ca -0.19 -0.32 0.19 0.00 -1.00 0.00 0.00 59.36 58.04 1iq3 h GLU 12 Cb 1.12 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1iq3 h GLU 12 CO 0.13 1.15 0.49 -1.35 -1.00 0.00 0.00 179.01 178.43 1iq3 h PRO 13 N -0.45 0.07 -5.00 2.33 0.11 -1.99 -3.45 132.00 123.62 1iq3 h PRO 13 Ca -0.29 -0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.41 1iq3 h PRO 13 Cb 1.64 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.75 1iq3 h PRO 13 CO 0.01 0.05 -0.61 1.87 -0.21 0.00 0.00 178.00 179.11 1iq3 n TRP 14 N -4.37 -2.01 -4.11 0.65 -0.00 -1.25 -2.50 117.44 103.85 1iq3 n TRP 14 Ca 0.13 0.57 -0.31 0.00 -0.00 0.00 0.00 57.50 57.89 1iq3 n TRP 14 Cb 0.71 -4.03 -0.07 0.00 -0.00 0.00 0.00 31.31 27.92 1iq3 n TRP 14 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1iq3 n ARG 15 N -4.06 -0.80 0.00 5.87 3.00 -1.26 -4.89 116.66 114.52 1iq3 n ARG 15 Ca -0.06 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1iq3 n ARG 15 Cb 0.59 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 30.10 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 -4.31 0.00 -2.99 0.55 0.13 -1.04 -5.15 119.36 106.55 1iq3 n ILE 16 Ca -0.25 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.43 1iq3 n ILE 16 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.40 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 0.00 -0.33 0.00 9.51 -1.32 -1.26 -4.92 115.64 117.32 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 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.83 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 4.46 -2.28 -0.09 7.08 0.28 -1.26 -4.62 120.64 124.22 1iq3 n GLU 18 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.99 1iq3 n GLU 18 Cb 0.60 -4.29 -0.14 0.00 1.43 0.00 0.00 31.44 29.04 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 -1.95 1.11 0.00 3.44 -0.58 -1.26 -4.44 120.64 116.96 1iq3 n GLU 19 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1iq3 n GLU 19 Cb 0.32 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.65 2.52 -0.09 3.49 10.64 -1.26 -4.64 117.38 125.39 1iq3 n GLN 20 Ca -0.29 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 54.82 1iq3 n GLN 20 Cb 1.07 -0.83 0.12 0.00 -0.86 0.00 0.00 30.24 29.74 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 0.77 -0.25 2.61 2.43 -1.92 0.37 114.38 118.39 1iq3 h ARG 21 Ca 0.00 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.82 1iq3 h ARG 21 Cb 0.53 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1iq3 h ARG 21 CO 0.00 0.86 -0.23 0.93 -1.51 0.00 0.00 179.97 180.02 1iq3 h GLU 22 N 0.69 0.47 0.00 0.20 4.39 -1.85 -1.75 114.58 116.74 1iq3 h GLU 22 Ca 0.11 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1iq3 h GLU 22 Cb 0.61 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1iq3 h GLU 22 CO 0.04 0.68 -0.39 -0.92 -1.16 0.00 0.00 179.01 177.26 1iq3 h TYR 23 N 0.42 0.00 -0.01 4.33 5.03 -1.73 -2.49 116.97 122.52 1iq3 h TYR 23 Ca 0.06 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.27 1iq3 h TYR 23 Cb 0.64 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.92 1iq3 h TYR 23 CO 0.02 0.39 -0.42 1.88 -1.32 0.00 0.00 178.16 178.71 1iq3 h TYR 24 N 0.00 0.45 0.00 -3.82 0.05 -0.47 -3.20 116.97 109.98 1iq3 h TYR 24 Ca -0.00 -0.23 -0.09 0.00 0.05 0.00 0.00 58.73 58.45 1iq3 h TYR 24 Cb 1.29 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.96 1iq3 h TYR 24 CO 0.00 1.03 -0.42 0.28 -1.05 0.00 0.00 178.16 178.01 1iq3 h VAL 25 N -0.26 0.93 -0.13 -2.88 2.07 -1.41 -2.99 116.25 111.58 1iq3 h VAL 25 Ca -0.05 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 1iq3 h VAL 25 Cb 1.14 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1iq3 h VAL 25 CO 0.08 0.41 -0.09 -1.13 0.02 0.00 0.00 177.57 176.86 1iq3 h ASN 26 N 0.00 0.18 0.01 0.57 -0.00 -1.47 -0.88 115.58 113.99 1iq3 h ASN 26 Ca -0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 1iq3 h ASN 26 Cb 0.98 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.25 1iq3 h ASN 26 CO 0.05 0.30 -0.01 -0.61 -0.00 0.00 0.00 177.43 177.17 1iq3 h GLN 27 N 0.19 -0.01 0.00 6.67 5.75 -1.53 -3.22 115.11 122.96 1iq3 h GLN 27 Ca 0.04 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1iq3 h GLN 27 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1iq3 h GLN 27 CO 0.01 0.50 0.11 0.35 -2.65 0.00 0.00 178.83 177.15 1iq3 h PHE 28 N -0.99 0.00 -0.09 3.99 3.04 -1.49 -1.55 116.94 119.86 1iq3 h PHE 28 Ca -0.00 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1iq3 h PHE 28 Cb 0.52 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 1iq3 h PHE 28 CO 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 178.31 176.31 1iq3 h ARG 29 N 0.00 0.24 -0.89 1.11 3.08 -1.17 0.73 114.38 117.48 1iq3 h ARG 29 Ca 0.00 -0.14 0.24 0.00 0.07 0.00 0.00 59.98 60.15 1iq3 h ARG 29 Cb 0.22 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.14 1iq3 h ARG 29 CO 0.00 0.69 0.31 1.03 -1.07 0.00 0.00 179.97 180.93 1iq3 h SER 30 N -0.20 0.13 1.26 7.04 0.87 -1.34 0.60 113.55 121.91 1iq3 h SER 30 Ca 0.01 0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1iq3 h SER 30 Cb 0.66 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1iq3 h SER 30 CO 0.03 -0.12 -0.77 -0.07 -0.53 0.00 0.00 176.83 175.37 1iq3 h LEU 31 N 0.27 0.00 -6.18 2.23 3.38 -1.64 -3.42 115.31 109.94 1iq3 h LEU 31 Ca 0.57 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.34 1iq3 h LEU 31 Cb 1.15 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.65 1iq3 h LEU 31 CO -0.62 0.39 -0.56 -1.58 0.09 0.00 0.00 178.44 176.17 1iq3 s GLN 32 N -3.04 0.69 0.16 1.13 2.00 0.19 -4.97 119.66 115.82 1iq3 s GLN 32 Ca 0.02 -0.45 -0.16 0.00 -2.00 0.00 0.00 55.36 52.77 1iq3 s GLN 32 Cb 0.08 -0.29 0.06 0.00 0.80 0.00 0.00 33.01 33.66 1iq3 s GLN 32 CO 0.76 -1.17 1.78 -1.35 -0.50 0.00 0.00 175.29 174.81 1iq3 h PRO 33 N 7.17 0.39 -6.06 1.67 0.11 -1.10 -3.34 132.00 130.85 1iq3 h PRO 33 Ca 0.03 -0.02 -0.73 0.00 0.11 0.00 0.00 66.00 65.39 1iq3 h PRO 33 Cb 1.12 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1iq3 h PRO 33 CO 0.16 0.26 1.12 -3.47 -0.21 0.00 0.00 178.00 175.86 1iq3 n ASP 34 N -4.92 1.94 -0.28 -2.05 -0.08 -1.26 -4.80 116.55 105.11 1iq3 n ASP 34 Ca 0.01 0.81 -0.02 0.00 -1.51 0.00 0.00 54.79 54.08 1iq3 n ASP 34 Cb 0.09 -1.12 0.15 0.00 2.34 0.00 0.00 41.12 42.58 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iq3 h PRO 35 N 8.95 1.13 -2.45 -0.67 0.13 -2.00 -3.09 132.00 134.01 1iq3 h PRO 35 Ca -0.34 -0.13 -0.79 0.00 -0.87 0.00 0.00 66.00 63.87 1iq3 h PRO 35 Cb 1.34 -0.22 -0.23 0.00 0.13 0.00 0.00 31.00 32.02 1iq3 h PRO 35 CO 1.00 0.83 1.41 -1.13 -0.23 0.00 0.00 178.00 179.88 1iq3 n SER 36 N -4.35 7.39 -3.80 1.44 3.41 -1.26 -4.74 113.62 111.71 1iq3 n SER 36 Ca 0.08 -3.50 -0.09 0.00 -0.26 0.00 0.00 58.87 55.10 1iq3 n SER 36 Cb 0.10 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 62.75 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1iq3 s SER 37 N -0.86 -0.01 0.03 4.04 0.15 -1.17 -5.02 113.70 110.86 1iq3 s SER 37 Ca 0.42 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1iq3 s SER 37 Cb 0.17 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1iq3 s SER 37 CO -0.09 -0.81 -0.00 0.72 1.20 0.00 0.00 173.24 174.26 1iq3 s PHE 38 N -3.86 3.04 0.44 3.44 -0.12 -1.26 -0.88 117.98 118.78 1iq3 s PHE 38 Ca 0.07 0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 56.95 1iq3 s PHE 38 Cb 0.03 -1.62 -0.03 0.00 -0.63 0.00 0.00 43.02 40.77 1iq3 s PHE 38 CO -0.09 0.46 0.71 0.42 -0.05 0.00 0.00 175.22 176.67 1iq3 s ILE 39 N -1.17 4.92 0.83 -4.49 1.01 -0.18 -4.81 121.20 117.32 1iq3 s ILE 39 Ca 0.22 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 1iq3 s ILE 39 Cb -0.12 -3.85 0.22 0.00 0.01 0.00 0.00 42.46 38.72 1iq3 s ILE 39 CO 0.13 -0.74 0.49 -1.20 0.00 0.00 0.00 174.94 173.62 1iq3 n SER 40 N -2.11 -3.24 0.00 3.58 7.64 -1.26 -1.57 113.62 116.65 1iq3 n SER 40 Ca -0.01 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1iq3 n SER 40 Cb 0.56 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -3.26 0.64 0.49 0.23 0.00 -0.80 -3.80 105.19 98.69 1iq3 n GLY 41 Ca 0.08 0.00 0.28 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 0.00 0.01 1.61 0.87 -1.96 0.22 113.55 114.29 1iq3 h SER 42 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1iq3 h SER 42 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1iq3 h SER 42 CO 0.00 0.00 -0.00 0.58 -0.53 0.00 0.00 176.83 176.88 1iq3 h VAL 43 N 0.00 1.03 -0.03 2.23 2.07 -1.94 0.13 116.25 119.74 1iq3 h VAL 43 Ca 0.41 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.73 1iq3 h VAL 43 Cb 2.16 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1iq3 h VAL 43 CO -0.00 0.03 -0.36 0.00 0.02 0.00 0.00 177.57 177.26 1iq3 h ALA 44 N 0.94 0.08 -0.01 1.67 0.00 -0.70 -3.07 119.26 118.18 1iq3 h ALA 44 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1iq3 h ALA 44 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iq3 h ALA 44 CO 0.00 0.19 0.03 -0.22 0.00 0.00 0.00 179.25 179.25 1iq3 h LYS 45 N -0.27 0.00 0.53 0.00 3.11 -1.30 -1.56 116.57 117.08 1iq3 h LYS 45 Ca -0.04 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1iq3 h LYS 45 Cb 1.06 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.29 1iq3 h LYS 45 CO 0.07 0.00 -0.31 -0.97 -2.81 0.00 0.00 179.45 175.43 1iq3 h ASN 46 N 0.00 -0.77 1.72 4.20 -0.00 -0.63 -2.94 115.58 117.16 1iq3 h ASN 46 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.35 1iq3 h ASN 46 Cb 0.07 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 1iq3 h ASN 46 CO -0.00 -0.50 -0.25 2.19 -0.00 0.00 0.00 177.43 178.88 1iq3 h PHE 47 N -0.79 0.00 -0.03 0.67 -5.15 -1.60 -3.28 116.94 106.75 1iq3 h PHE 47 Ca -0.06 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.72 1iq3 h PHE 47 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.81 1iq3 h PHE 47 CO -0.08 0.00 0.50 0.74 -2.00 0.00 0.00 178.31 177.46 1iq3 h PHE 48 N 0.00 0.00 -0.50 6.09 -1.00 -1.10 -3.07 116.94 117.36 1iq3 h PHE 48 Ca 0.00 0.00 -0.71 0.00 2.81 0.00 0.00 57.97 60.07 1iq3 h PHE 48 Cb 0.98 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 1iq3 h PHE 48 CO 0.00 0.00 3.03 -2.37 -1.61 0.00 0.00 178.31 177.36 1iq3 n THR 49 N -2.85 4.31 -2.98 -1.55 5.66 -1.24 -4.58 114.28 111.06 1iq3 n THR 49 Ca -0.01 -3.40 -0.18 0.00 -3.05 0.00 0.00 64.05 57.41 1iq3 n THR 49 Cb 0.54 -2.45 -0.01 0.00 -1.55 0.00 0.00 70.33 66.86 1iq3 n THR 49 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1iq3 n LYS 50 N 3.86 1.50 0.00 1.09 5.02 -1.16 -4.84 118.16 123.63 1iq3 n LYS 50 Ca 0.61 -3.63 0.00 0.00 -2.02 0.00 0.00 58.31 53.27 1iq3 n LYS 50 Cb 0.30 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1iq3 n LYS 50 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iq3 n SER 51 N 0.07 0.00 0.13 4.39 2.88 -1.26 -4.94 113.62 114.89 1iq3 n SER 51 Ca 0.23 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.89 1iq3 n SER 51 Cb 0.66 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.00 0.20 0.00 -1.46 2.85 -1.26 -4.70 118.16 113.79 1iq3 n LYS 52 Ca 0.00 0.42 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 1iq3 n LYS 52 Cb 0.00 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 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 -2.24 0.00 -2.02 -5.58 4.77 -1.26 -2.43 117.00 108.24 1iq3 n LEU 53 Ca 0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 1iq3 n LEU 53 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1iq3 n LEU 53 CO 0.20 0.00 1.40 -0.24 -1.33 0.00 0.00 177.39 177.42 1iq3 n SER 54 N 0.51 5.88 -3.78 -1.43 2.88 -1.26 -4.71 113.62 111.71 1iq3 n SER 54 Ca 0.00 -2.80 -0.30 0.00 -1.33 0.00 0.00 58.87 54.44 1iq3 n SER 54 Cb 0.00 -1.23 -0.14 0.00 -0.75 0.00 0.00 64.21 62.09 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1iq3 s ILE 55 N -0.84 1.41 -0.61 2.46 -1.09 -1.02 -5.06 121.20 116.45 1iq3 s ILE 55 Ca 0.44 -2.17 -0.26 0.00 -2.23 0.00 0.00 60.65 56.43 1iq3 s ILE 55 Cb 0.26 -2.02 -0.10 0.00 -1.58 0.00 0.00 42.46 39.01 1iq3 s ILE 55 CO -0.06 -0.77 2.43 -2.65 -1.23 0.00 0.00 174.94 172.66 1iq3 n PRO 56 N 4.08 0.83 -0.74 2.79 -0.02 -1.26 -4.56 135.00 136.11 1iq3 n PRO 56 Ca 0.04 -0.23 -0.01 0.00 -2.02 0.00 0.00 63.50 61.28 1iq3 n PRO 56 Cb 0.38 -3.35 -0.01 0.00 -0.02 0.00 0.00 33.50 30.50 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 8.85 0.00 -0.08 -0.52 -0.58 -1.26 -4.89 120.64 122.16 1iq3 n GLU 57 Ca 0.42 -0.75 0.02 0.00 -0.42 0.00 0.00 57.16 56.43 1iq3 n GLU 57 Cb 0.48 -0.04 0.06 0.00 -0.57 0.00 0.00 31.44 31.37 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1iq3 n LEU 58 N 0.07 0.86 0.08 -4.62 4.77 -1.26 -3.75 117.00 113.15 1iq3 n LEU 58 Ca -0.05 -0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 55.43 1iq3 n LEU 58 Cb 0.68 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1iq3 n LEU 58 CO -0.03 0.19 0.21 -1.28 -1.33 0.00 0.00 177.39 175.15 1iq3 h SER 59 N 0.72 0.07 0.70 -1.43 0.87 -1.98 -3.09 113.55 109.40 1iq3 h SER 59 Ca 0.00 -0.07 -0.21 0.00 -1.23 0.00 0.00 61.79 60.29 1iq3 h SER 59 Cb 0.27 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1iq3 h SER 59 CO 0.01 0.96 -1.43 0.10 -0.53 0.00 0.00 176.83 175.94 1iq3 h TYR 60 N 0.02 0.00 -0.17 2.24 -0.00 -1.98 -2.56 116.97 114.53 1iq3 h TYR 60 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.68 1iq3 h TYR 60 Cb 1.62 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.34 1iq3 h TYR 60 CO 0.01 0.74 -0.01 0.97 -0.00 0.00 0.00 178.16 179.87 1iq3 h ILE 61 N 0.00 1.26 -0.08 -0.90 6.09 -1.75 -2.02 117.51 120.12 1iq3 h ILE 61 Ca -0.19 -0.88 -0.15 0.00 -1.37 0.00 0.00 64.86 62.28 1iq3 h ILE 61 Cb 1.73 1.50 0.01 0.00 0.47 0.00 0.00 36.82 40.53 1iq3 h ILE 61 CO 0.06 0.26 -0.52 -0.25 -3.07 0.00 0.00 178.15 174.64 1iq3 h TRP 62 N 0.05 0.67 -0.18 2.19 2.91 -1.68 -0.52 115.95 119.40 1iq3 h TRP 62 Ca 0.05 -0.31 0.05 0.00 1.13 0.00 0.00 58.89 59.81 1iq3 h TRP 62 Cb 0.40 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 1iq3 h TRP 62 CO 0.04 1.10 0.24 1.49 -1.03 0.00 0.00 178.44 180.28 1iq3 h GLU 63 N 0.05 0.00 0.00 2.65 4.81 -1.46 0.36 114.58 120.99 1iq3 h GLU 63 Ca -0.04 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 1iq3 h GLU 63 Cb 1.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1iq3 h GLU 63 CO 0.11 0.00 -1.96 1.28 -0.73 0.00 0.00 179.01 177.70 1iq3 n LEU 64 N -3.58 0.30 -0.12 1.64 4.77 -0.76 -4.07 117.00 115.19 1iq3 n LEU 64 Ca 0.02 0.13 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 1iq3 n LEU 64 Cb 0.36 0.23 0.73 0.00 -2.33 0.00 0.00 43.42 42.41 1iq3 n LEU 64 CO 0.25 0.26 0.97 -1.54 -1.33 0.00 0.00 177.39 176.00 1iq3 n SER 65 N -2.68 0.41 -4.92 -1.43 3.41 -0.02 -4.84 113.62 103.54 1iq3 n SER 65 Ca -0.18 -0.79 -0.26 0.00 -0.26 0.00 0.00 58.87 57.38 1iq3 n SER 65 Cb 0.91 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1iq3 n SER 65 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iq3 s ASP 66 N -2.26 6.27 0.00 4.04 -1.08 -0.39 -4.77 116.67 118.48 1iq3 s ASP 66 Ca 0.36 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 53.16 1iq3 s ASP 66 Cb 0.21 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.49 1iq3 s ASP 66 CO 0.42 -0.48 0.14 0.00 0.52 0.00 0.00 175.17 175.77 1iq3 n ALA 67 N -2.10 1.04 -1.56 3.66 0.00 -1.26 -4.86 120.51 115.43 1iq3 n ALA 67 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1iq3 n ALA 67 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.17 -0.22 -2.43 0.00 5.68 -1.26 -4.96 116.55 113.18 1iq3 n ASP 68 Ca 0.00 -0.56 -0.04 0.00 -0.50 0.00 0.00 54.79 53.69 1iq3 n ASP 68 Cb 0.08 0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.37 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 114.74 1iq3 n ASP 70 Ca 0.01 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1iq3 n ASP 70 Cb 0.43 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 1iq3 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iq3 n GLY 71 N 0.37 2.42 3.95 6.12 0.00 -1.26 -4.99 105.19 111.80 1iq3 n GLY 71 Ca 0.10 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.68 3.90 -0.12 4.61 0.00 -1.26 -1.90 121.76 126.31 1iq3 s ALA 72 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1iq3 s ALA 72 Cb 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.46 1iq3 s ALA 72 CO 0.00 0.24 -0.12 -0.51 0.00 0.00 0.00 175.76 175.36 1iq3 s LEU 73 N -3.97 1.54 0.70 0.00 1.02 -0.61 -4.86 118.68 112.51 1iq3 s LEU 73 Ca 0.34 -0.40 -0.16 0.00 0.02 0.00 0.00 54.13 53.93 1iq3 s LEU 73 Cb -0.09 -1.02 0.02 0.00 0.02 0.00 0.00 46.19 45.12 1iq3 s LEU 73 CO 0.29 -0.05 1.22 0.35 0.02 0.00 0.00 176.35 178.18 1iq3 n THR 74 N 4.56 3.79 -0.31 5.49 -2.24 -1.26 -1.01 114.28 123.31 1iq3 n THR 74 Ca -0.17 -0.40 0.06 0.00 -2.27 0.00 0.00 64.05 61.28 1iq3 n THR 74 Cb 0.51 -1.35 0.21 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.00 0.67 -1.73 3.22 6.46 -1.30 0.19 115.31 122.82 1iq3 h LEU 75 Ca -0.49 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1iq3 h LEU 75 Cb 1.33 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1iq3 h LEU 75 CO 0.50 0.33 0.08 -0.65 -0.62 0.00 0.00 178.44 178.08 1iq3 h PRO 76 N 0.76 0.25 0.00 5.25 0.11 -1.87 -0.60 132.00 135.90 1iq3 h PRO 76 Ca 0.45 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 1iq3 h PRO 76 Cb 0.54 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1iq3 h PRO 76 CO -0.30 0.21 -0.40 1.05 -0.21 0.00 0.00 178.00 178.34 1iq3 h GLU 77 N 0.26 0.00 -0.00 1.05 4.11 -1.03 -3.22 114.58 115.75 1iq3 h GLU 77 Ca 0.07 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.31 1iq3 h GLU 77 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1iq3 h GLU 77 CO -0.01 0.26 -0.84 0.35 0.07 0.00 0.00 179.01 178.84 1iq3 h PHE 78 N 0.00 0.24 -0.18 2.06 3.04 0.39 -2.97 116.94 119.52 1iq3 h PHE 78 Ca -0.01 -0.13 0.05 0.00 3.98 0.00 0.00 57.97 61.86 1iq3 h PHE 78 Cb 1.22 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1iq3 h PHE 78 CO 0.00 0.92 0.35 0.00 -2.02 0.00 0.00 178.31 177.56 1iq3 n ALA 80 N -2.12 1.46 -0.33 0.00 0.00 -1.16 -4.26 120.51 114.10 1iq3 n ALA 80 Ca 0.02 -1.19 0.13 0.00 0.00 0.00 0.00 53.44 52.40 1iq3 n ALA 80 Cb 0.45 -0.27 0.31 0.00 0.00 0.00 0.00 19.45 19.94 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 0.74 1.58 -0.47 0.00 0.00 -0.97 -0.03 119.26 120.12 1iq3 h ALA 81 Ca -0.52 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1iq3 h ALA 81 Cb 2.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 1iq3 h ALA 81 CO 0.01 -0.13 0.06 0.74 0.00 0.00 0.00 179.25 179.93 1iq3 h PHE 82 N 0.66 0.84 -0.93 0.00 -1.00 -1.72 -2.41 116.94 112.38 1iq3 h PHE 82 Ca 0.56 -0.12 0.17 0.00 2.81 0.00 0.00 57.97 61.39 1iq3 h PHE 82 Cb 0.92 -0.23 -0.10 0.00 3.61 0.00 0.00 35.95 40.15 1iq3 h PHE 82 CO -0.04 0.79 0.53 0.45 -1.61 0.00 0.00 178.31 178.43 1iq3 h HIS 83 N 0.65 0.92 0.00 -0.55 3.86 -1.18 0.21 115.15 119.06 1iq3 h HIS 83 Ca 0.14 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1iq3 h HIS 83 Cb 0.42 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1iq3 h HIS 83 CO 0.03 0.20 -0.44 -0.07 0.86 0.00 0.00 177.93 178.51 1iq3 h LEU 84 N 0.69 0.00 -0.80 2.43 3.38 -1.27 -3.18 115.31 116.56 1iq3 h LEU 84 Ca 0.53 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.41 1iq3 h LEU 84 Cb 0.80 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1iq3 h LEU 84 CO -0.38 0.44 -0.11 0.40 0.09 0.00 0.00 178.44 178.88 1iq3 h ILE 85 N 0.00 1.26 0.00 1.22 1.08 -0.10 -2.66 117.51 118.31 1iq3 h ILE 85 Ca -0.00 -1.18 -0.07 0.00 -0.39 0.00 0.00 64.86 63.22 1iq3 h ILE 85 Cb 1.13 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1iq3 h ILE 85 CO 0.06 0.40 -0.34 0.58 -0.69 0.00 0.00 178.15 178.16 1iq3 h VAL 86 N 0.71 0.76 -0.70 1.67 2.07 -1.40 -3.30 116.25 116.05 1iq3 h VAL 86 Ca 0.12 -1.48 0.08 0.00 0.82 0.00 0.00 66.70 66.24 1iq3 h VAL 86 Cb 0.60 1.95 -0.11 0.00 -1.52 0.00 0.00 31.29 32.21 1iq3 h VAL 86 CO 0.04 0.33 -0.51 0.00 0.02 0.00 0.00 177.57 177.45 1iq3 h ALA 87 N 1.66 -0.47 -0.63 1.67 0.00 -1.47 0.14 119.26 120.17 1iq3 h ALA 87 Ca -0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1iq3 h ALA 87 Cb 0.92 1.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 1iq3 h ALA 87 CO 0.04 -0.91 0.37 -0.09 0.00 0.00 0.00 179.25 178.66 1iq3 h ARG 88 N -0.18 0.69 -0.52 0.00 9.65 -1.72 -0.25 114.38 122.04 1iq3 h ARG 88 Ca 0.16 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.08 1iq3 h ARG 88 Cb 0.53 -0.16 -0.10 0.00 -1.39 0.00 0.00 29.97 28.85 1iq3 h ARG 88 CO -0.77 0.46 -0.42 0.87 2.80 0.00 0.00 179.97 182.91 1iq3 h LYS 89 N 0.71 -0.24 0.00 0.20 1.79 -0.88 0.31 116.57 118.46 1iq3 h LYS 89 Ca 0.26 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1iq3 h LYS 89 Cb 0.08 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1iq3 h LYS 89 CO -0.13 -0.16 0.00 -0.91 -1.08 0.00 0.00 179.45 177.17 1iq3 h ASN 90 N -0.25 0.00 -1.92 0.86 2.35 -1.09 -3.47 115.58 112.06 1iq3 h ASN 90 Ca 0.17 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.77 1iq3 h ASN 90 Cb 0.57 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.96 1iq3 h ASN 90 CO -0.65 0.00 -0.23 0.61 -1.65 0.00 0.00 177.43 175.52 1iq3 n GLY 91 N 0.52 0.22 3.66 2.83 0.00 0.11 -4.94 105.19 107.58 1iq3 n GLY 91 Ca 0.02 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1iq3 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iq3 s TYR 92 N -2.74 2.09 0.31 1.61 2.02 -1.13 -4.93 117.35 114.59 1iq3 s TYR 92 Ca 0.10 0.26 -0.28 0.00 -0.37 0.00 0.00 57.07 56.78 1iq3 s TYR 92 Cb -0.05 -3.90 -0.13 0.00 -0.40 0.00 0.00 41.96 37.49 1iq3 s TYR 92 CO 0.13 -3.72 1.16 -2.30 -1.57 0.00 0.00 175.55 169.24 1iq3 n PRO 93 N 6.86 1.73 -3.83 -1.71 -0.02 -1.26 -4.92 135.00 131.85 1iq3 n PRO 93 Ca 0.17 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 1iq3 n PRO 93 Cb 0.43 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1iq3 n PRO 93 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1iq3 s LEU 94 N -0.24 2.50 0.06 2.45 2.34 -1.26 -4.96 118.68 119.58 1iq3 s LEU 94 Ca 0.58 -1.44 0.10 0.00 0.06 0.00 0.00 54.13 53.42 1iq3 s LEU 94 Cb -0.64 -1.01 0.44 0.00 -0.56 0.00 0.00 46.19 44.42 1iq3 s LEU 94 CO 0.60 -0.34 1.30 -0.81 -1.06 0.00 0.00 176.35 176.05 1iq3 n PRO 95 N 4.75 0.04 0.00 1.48 -0.04 -1.26 -4.83 135.00 135.14 1iq3 n PRO 95 Ca -0.05 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1iq3 n PRO 95 Cb 0.43 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1iq3 n PRO 95 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1iq3 n GLU 96 N -1.67 0.00 -3.47 0.54 4.07 -1.26 -5.11 120.64 113.75 1iq3 n GLU 96 Ca 0.01 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.84 1iq3 n GLU 96 Cb 0.08 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.36 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1iq3 s GLY 97 N -0.07 1.44 0.02 8.31 0.00 -1.26 -5.10 107.32 110.66 1iq3 s GLY 97 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 44.72 42.09 1iq3 s GLY 97 CO 0.00 1.97 -0.04 0.48 0.00 0.00 0.00 173.10 175.51 1iq3 s LEU 98 N -0.13 2.26 0.17 0.66 2.34 -1.26 -5.04 118.68 117.67 1iq3 s LEU 98 Ca 0.31 -0.53 -0.15 0.00 0.06 0.00 0.00 54.13 53.82 1iq3 s LEU 98 Cb 0.01 0.07 0.09 0.00 -0.56 0.00 0.00 46.19 45.81 1iq3 s LEU 98 CO -0.19 -0.30 1.76 -0.65 -1.06 0.00 0.00 176.35 175.91 1iq3 h PRO 99 N 4.55 0.34 -6.18 1.48 0.11 -1.99 -3.39 132.00 126.93 1iq3 h PRO 99 Ca -0.33 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.19 1iq3 h PRO 99 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1iq3 h PRO 99 CO 0.42 0.23 1.34 -2.14 -0.21 0.00 0.00 178.00 177.64 1iq3 s PRO 100 N -6.15 3.25 -0.47 1.05 0.02 -1.26 -4.90 135.00 126.55 1iq3 s PRO 100 Ca -0.13 1.57 0.07 0.00 0.02 0.00 0.00 61.00 62.52 1iq3 s PRO 100 Cb 0.13 -4.25 0.23 0.00 0.02 0.00 0.00 34.50 30.63 1iq3 s PRO 100 CO 0.72 -1.95 0.55 -2.37 -0.33 0.00 0.00 177.00 173.61 1iq3 n THR 101 N 7.51 0.05 0.00 0.99 5.66 -1.26 -4.83 114.28 122.40 1iq3 n THR 101 Ca 0.25 -4.25 0.00 0.00 -3.05 0.00 0.00 64.05 57.00 1iq3 n THR 101 Cb 0.46 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 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 1.51 0.00 -1.87 1.09 0.00 -1.26 -5.13 117.00 111.34 1iq3 n LEU 102 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.25 1iq3 n LEU 102 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.91 1iq3 n LEU 102 CO 0.22 0.00 -0.41 1.67 0.00 0.00 0.00 177.39 178.87 1iq3 n GLN 103 N 0.00 -4.74 -1.55 1.96 7.27 -1.26 -4.56 117.38 114.51 1iq3 n GLN 103 Ca 0.00 3.44 -0.13 0.00 0.07 0.00 0.00 57.00 60.38 1iq3 n GLN 103 Cb 0.00 -3.69 -0.09 0.00 2.41 0.00 0.00 30.24 28.87 1iq3 n GLN 103 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1iq3 n PRO 104 N 1.62 0.33 0.06 3.69 -0.02 -1.26 -4.37 135.00 135.04 1iq3 n PRO 104 Ca 0.00 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.33 1iq3 n PRO 104 Cb 0.00 -3.63 0.00 0.00 -0.02 0.00 0.00 33.50 29.85 1iq3 n PRO 104 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1iq3 n GLU 105 N 8.28 0.00 -2.26 -0.52 -0.58 -1.26 -4.91 120.64 119.39 1iq3 n GLU 105 Ca 0.44 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.87 1iq3 n GLU 105 Cb 0.44 -0.14 0.02 0.00 -0.57 0.00 0.00 31.44 31.18 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 -3.11 3.25 0.16 -0.32 1.16 -1.26 -4.80 117.46 112.53 1iq3 n PHE 106 Ca 0.00 -2.83 -0.12 0.00 -1.87 0.00 0.00 57.45 52.63 1iq3 n PHE 106 Cb 0.00 -0.46 -0.07 0.00 -1.61 0.00 0.00 39.48 37.33 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 2.34 0.59 -3.36 1.97 5.03 -1.91 -3.43 117.51 118.74 1iq3 h ILE 107 Ca 0.39 -0.68 -0.53 0.00 -0.12 0.00 0.00 64.86 63.92 1iq3 h ILE 107 Cb 0.68 0.89 0.06 0.00 -3.03 0.00 0.00 36.82 35.42 1iq3 h ILE 107 CO 1.04 0.11 0.80 -0.69 -0.68 0.00 0.00 178.15 178.74 1iq3 s VAL 108 N -4.25 2.48 -0.37 1.67 1.01 -1.26 -4.94 120.40 114.73 1iq3 s VAL 108 Ca -0.13 0.40 0.13 0.00 0.00 0.00 0.00 61.98 62.38 1iq3 s VAL 108 Cb 0.02 -3.26 0.38 0.00 0.00 0.00 0.00 36.38 33.52 1iq3 s VAL 108 CO 0.49 0.06 0.83 0.41 0.00 0.00 0.00 175.10 176.89 1iq3 n THR 109 N 2.30 0.13 0.07 3.92 -1.04 -1.26 -5.17 114.28 113.23 1iq3 n THR 109 Ca 0.07 -3.89 0.01 0.00 -2.04 0.00 0.00 64.05 58.20 1iq3 n THR 109 Cb 0.39 0.14 0.01 0.00 -1.82 0.00 0.00 70.33 69.05 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90