#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqc n ALA 4 N 0.00 0.00 -3.68 2.98 0.00 -1.26 -5.00 120.51 113.55 3iqc n ALA 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3iqc n ALA 4 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3iqc n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iqc s ASN 5 N 0.00 -0.13 -1.29 0.00 2.20 -1.26 -5.07 114.94 109.39 3iqc s ASN 5 Ca 0.00 -0.26 -0.10 0.00 -0.94 0.00 0.00 52.86 51.57 3iqc s ASN 5 Cb 0.00 0.33 -0.00 0.00 -2.00 0.00 0.00 41.25 39.58 3iqc s ASN 5 CO 0.00 -0.60 0.59 0.00 -2.94 0.00 0.00 177.10 174.14 3iqc n ALA 6 N -0.46 -2.25 -3.30 3.54 0.00 -1.26 -4.99 120.51 111.79 3iqc n ALA 6 Ca -0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 3iqc n ALA 6 Cb 0.62 -2.55 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 3iqc n ALA 6 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3iqc s TYR 7 N -3.74 -0.44 -0.26 0.00 -0.85 -1.26 -5.11 117.35 105.69 3iqc s TYR 7 Ca 0.20 0.28 0.02 0.00 -0.52 0.00 0.00 57.07 57.06 3iqc s TYR 7 Cb -0.08 0.44 0.06 0.00 0.38 0.00 0.00 41.96 42.77 3iqc s TYR 7 CO 0.88 -0.77 -0.09 1.14 -1.52 0.00 0.00 175.55 175.19 3iqc s GLN 8 N -3.43 2.02 0.00 -3.49 0.00 -1.26 -5.01 119.66 108.49 3iqc s GLN 8 Ca -0.00 -1.26 0.14 0.00 -0.00 0.00 0.00 55.36 54.25 3iqc s GLN 8 Cb -0.00 -2.80 0.38 0.00 0.00 0.00 0.00 33.01 30.58 3iqc s GLN 8 CO -0.10 -0.59 1.30 0.00 0.00 0.00 0.00 175.29 175.90 3iqc n ALA 9 N 4.50 2.26 -2.44 2.60 0.00 -1.26 -4.09 120.51 122.08 3iqc n ALA 9 Ca -0.13 -1.14 -0.22 0.00 0.00 0.00 0.00 53.44 51.96 3iqc n ALA 9 Cb 0.43 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 3iqc n ALA 9 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3iqc s TYR 10 N -1.02 2.01 0.05 0.00 2.02 -1.26 -1.40 117.35 117.75 3iqc s TYR 10 Ca 0.30 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.40 3iqc s TYR 10 Cb 0.16 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.57 3iqc s TYR 10 CO 0.21 0.35 -0.04 1.14 -1.57 0.00 0.00 175.55 175.64 3iqc s GLN 11 N -3.69 2.51 0.00 -0.62 -2.07 -0.14 -4.66 119.66 110.99 3iqc s GLN 11 Ca 0.29 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 3iqc s GLN 11 Cb 0.03 -2.51 0.00 0.00 -1.09 0.00 0.00 33.01 29.44 3iqc s GLN 11 CO 0.12 0.57 0.00 0.72 -1.32 0.00 0.00 175.29 175.38 3iqc n HIS 12 N 1.02 0.00 -1.63 9.60 -0.00 -1.26 -4.99 115.22 117.97 3iqc n HIS 12 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 3iqc n HIS 12 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 3iqc n HIS 12 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3iqc n GLU 18 N -1.89 0.00 -3.48 -0.41 4.07 -1.26 -4.85 120.64 112.83 3iqc n GLU 18 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 3iqc n GLU 18 Cb 0.00 -0.48 -0.12 0.00 -0.06 0.00 0.00 31.44 30.78 3iqc n GLU 18 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3iqc s SER 19 N 0.00 3.06 0.53 4.31 1.04 -1.26 -5.00 113.70 116.37 3iqc s SER 19 Ca 0.00 -2.07 0.24 0.00 0.48 0.00 0.00 55.95 54.59 3iqc s SER 19 Cb 0.00 -0.40 1.38 0.00 0.10 0.00 0.00 66.02 67.09 3iqc s SER 19 CO 0.00 -0.33 2.02 1.55 0.98 0.00 0.00 173.24 177.46 3iqc h PRO 20 N 7.20 0.00 -0.70 4.02 0.13 -2.02 -2.93 132.00 137.70 3iqc h PRO 20 Ca 0.02 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.12 3iqc h PRO 20 Cb 0.97 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 3iqc h PRO 20 CO 0.29 0.00 0.31 0.00 -0.23 0.00 0.00 178.00 178.37 3iqc h ALA 21 N 1.77 0.90 -0.69 -0.56 0.00 -1.95 -2.96 119.26 115.77 3iqc h ALA 21 Ca 0.21 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3iqc h ALA 21 Cb 0.86 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3iqc h ALA 21 CO -0.00 0.50 0.46 0.87 0.00 0.00 0.00 179.25 181.07 3iqc h LYS 22 N 0.98 0.49 -0.63 0.00 1.57 -1.90 -1.86 116.57 115.23 3iqc h LYS 22 Ca 0.24 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3iqc h LYS 22 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3iqc h LYS 22 CO -0.02 0.33 0.25 1.25 -0.57 0.00 0.00 179.45 180.68 3iqc h LEU 23 N 0.51 0.87 -0.36 2.94 5.85 -1.66 -1.71 115.31 121.76 3iqc h LEU 23 Ca 0.32 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3iqc h LEU 23 Cb 0.58 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3iqc h LEU 23 CO -0.11 0.81 0.06 0.40 -0.34 0.00 0.00 178.44 179.26 3iqc h ILE 24 N 0.88 1.24 -0.59 4.05 2.04 -1.40 -2.73 117.51 121.00 3iqc h ILE 24 Ca 0.21 -0.84 0.12 0.00 1.00 0.00 0.00 64.86 65.35 3iqc h ILE 24 Cb 0.21 1.10 -0.10 0.00 -0.74 0.00 0.00 36.82 37.28 3iqc h ILE 24 CO -0.02 0.28 -0.02 -0.08 0.00 0.00 0.00 178.15 178.31 3iqc h GLU 25 N 0.43 0.09 -0.95 2.37 4.81 -1.11 -0.59 114.58 119.63 3iqc h GLU 25 Ca 0.11 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3iqc h GLU 25 Cb 0.36 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3iqc h GLU 25 CO 0.01 0.06 0.63 0.52 -0.73 0.00 0.00 179.01 179.49 3iqc h MET 26 N 0.10 1.21 0.09 1.92 2.86 -1.13 0.13 114.93 120.11 3iqc h MET 26 Ca 0.31 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3iqc h MET 26 Cb 0.49 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3iqc h MET 26 CO -0.53 0.80 -0.04 -0.07 1.06 0.00 0.00 176.91 178.13 3iqc h LEU 27 N 1.25 -0.10 -1.40 1.22 3.38 -0.93 -0.58 115.31 118.15 3iqc h LEU 27 Ca 0.36 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 58.09 3iqc h LEU 27 Cb -0.08 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3iqc h LEU 27 CO -0.10 0.30 0.50 1.88 0.09 0.00 0.00 178.44 181.11 3iqc h TYR 28 N -0.52 0.72 -0.01 1.13 0.05 -0.89 -0.81 116.97 116.63 3iqc h TYR 28 Ca -0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3iqc h TYR 28 Cb 0.43 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 3iqc h TYR 28 CO 0.05 0.33 -0.01 0.93 -1.05 0.00 0.00 178.16 178.42 3iqc h GLU 29 N 0.67 0.03 -0.92 4.88 5.08 -0.54 -2.56 114.58 121.21 3iqc h GLU 29 Ca 0.35 -0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.96 3iqc h GLU 29 Cb 0.48 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.57 3iqc h GLU 29 CO -0.13 0.45 0.19 0.78 -1.00 0.00 0.00 179.01 179.30 3iqc h GLY 30 N -0.39 1.40 0.83 -3.84 0.00 -0.63 0.58 103.07 101.01 3iqc h GLY 30 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3iqc h GLY 30 CO 0.00 -0.46 -0.06 -2.22 0.00 0.00 0.00 176.54 173.81 3iqc h ILE 31 N 0.12 0.98 -0.30 2.60 2.04 -0.95 -1.95 117.51 120.06 3iqc h ILE 31 Ca 0.59 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 66.14 3iqc h ILE 31 Cb 1.25 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 38.47 3iqc h ILE 31 CO -0.75 0.09 -0.43 -0.07 0.00 0.00 0.00 178.15 176.98 3iqc h LEU 32 N -0.32 -1.41 -0.11 1.44 3.38 -0.98 -1.19 115.31 116.12 3iqc h LEU 32 Ca -0.02 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.18 3iqc h LEU 32 Cb 0.26 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3iqc h LEU 32 CO 0.03 -0.39 -0.02 -0.09 0.09 0.00 0.00 178.44 178.06 3iqc h ARG 33 N -0.39 0.01 0.00 1.13 2.43 -0.86 -1.84 114.38 114.86 3iqc h ARG 33 Ca 0.11 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 3iqc h ARG 33 Cb 0.60 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 3iqc h ARG 33 CO -0.51 0.01 -0.65 0.74 -1.51 0.00 0.00 179.97 178.05 3iqc h PHE 34 N 0.01 0.00 -0.16 2.20 0.04 -1.35 -0.07 116.94 117.62 3iqc h PHE 34 Ca 0.05 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 3iqc h PHE 34 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 3iqc h PHE 34 CO -0.15 0.65 -0.27 0.77 -0.60 0.00 0.00 178.31 178.72 3iqc h SER 35 N 0.00 0.51 -0.80 2.17 0.02 -1.12 0.40 113.55 114.73 3iqc h SER 35 Ca -0.01 -0.54 -0.04 0.00 -0.84 0.00 0.00 61.79 60.37 3iqc h SER 35 Cb 1.42 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 3iqc h SER 35 CO 0.08 0.95 0.34 -1.28 -1.14 0.00 0.00 176.83 175.79 3iqc h SER 36 N 0.09 1.08 -0.32 3.07 0.87 -1.19 0.24 113.55 117.39 3iqc h SER 36 Ca 0.01 -0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.24 3iqc h SER 36 Cb 0.85 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3iqc h SER 36 CO 0.06 0.95 -0.46 1.56 -0.53 0.00 0.00 176.83 178.41 3iqc h GLN 37 N 1.15 0.89 -0.95 2.24 4.20 -0.85 -2.96 115.11 118.83 3iqc h GLN 37 Ca 0.27 -0.51 0.03 0.00 0.06 0.00 0.00 58.65 58.50 3iqc h GLN 37 Cb 0.18 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 3iqc h GLN 37 CO -0.03 1.15 0.62 0.00 -0.67 0.00 0.00 178.83 179.91 3iqc h ALA 38 N 0.76 1.36 0.44 3.87 0.00 0.64 -2.27 119.26 124.07 3iqc h ALA 38 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iqc h ALA 38 Cb 1.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3iqc h ALA 38 CO 0.11 0.56 -0.29 -0.22 0.00 0.00 0.00 179.25 179.40 3iqc h LYS 39 N 1.23 -0.69 -0.94 0.00 3.64 -0.51 -1.41 116.57 117.90 3iqc h LYS 39 Ca 0.36 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.94 3iqc h LYS 39 Cb -0.05 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 31.77 3iqc h LYS 39 CO -0.10 -0.46 -0.35 0.54 -2.27 0.00 0.00 179.45 176.81 3iqc n ARG 40 N -5.43 -0.21 -0.04 1.90 5.12 -1.13 -1.90 116.66 114.98 3iqc n ARG 40 Ca -0.11 1.45 -0.03 0.00 -1.93 0.00 0.00 57.85 57.24 3iqc n ARG 40 Cb 0.33 -2.16 0.22 0.00 -1.16 0.00 0.00 32.46 29.69 3iqc n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iqc h ILE 42 N 0.58 1.18 0.12 0.00 2.04 -0.57 -1.08 117.51 119.78 3iqc h ILE 42 Ca 0.11 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.44 3iqc h ILE 42 Cb 0.46 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3iqc h ILE 42 CO 0.02 0.19 -0.19 -0.33 0.00 0.00 0.00 178.15 177.84 3iqc h GLU 43 N 0.37 -0.36 0.00 2.37 5.08 -0.93 -2.85 114.58 118.26 3iqc h GLU 43 Ca 0.11 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3iqc h GLU 43 Cb 0.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3iqc h GLU 43 CO -0.01 -0.24 0.00 0.09 -1.00 0.00 0.00 179.01 177.85 3iqc n ASN 44 N -5.32 0.00 -3.88 1.42 4.13 -0.24 -4.91 115.26 106.45 3iqc n ASN 44 Ca -0.07 -0.13 -0.30 0.00 1.68 0.00 0.00 54.58 55.76 3iqc n ASN 44 Cb 0.23 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3iqc n ASN 44 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3iqc n GLU 45 N -1.21 -2.18 -3.41 3.52 1.02 -0.95 -4.98 120.64 112.45 3iqc n GLU 45 Ca 0.10 0.38 -0.44 0.00 -0.02 0.00 0.00 57.16 57.17 3iqc n GLU 45 Cb 0.12 -4.15 -0.05 0.00 -0.02 0.00 0.00 31.44 27.34 3iqc n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3iqc s ASP 46 N -3.97 6.23 0.02 1.62 1.01 -0.45 -4.96 116.67 116.16 3iqc s ASP 46 Ca 0.22 -2.31 -0.24 0.00 0.71 0.00 0.00 52.55 50.92 3iqc s ASP 46 Cb -0.09 -2.13 -0.18 0.00 1.01 0.00 0.00 42.92 41.53 3iqc s ASP 46 CO 0.89 -0.65 1.44 0.40 0.21 0.00 0.00 175.17 177.46 3iqc h ILE 47 N 5.41 1.25 -0.34 0.77 1.08 -1.94 -2.26 117.51 121.48 3iqc h ILE 47 Ca -0.08 -0.76 0.07 0.00 -0.39 0.00 0.00 64.86 63.70 3iqc h ILE 47 Cb 1.05 1.73 -0.08 0.00 -3.07 0.00 0.00 36.82 36.45 3iqc h ILE 47 CO 0.85 0.20 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.91 3iqc h GLU 48 N -0.28 -0.22 0.00 2.37 3.07 -1.98 -1.18 114.58 116.36 3iqc h GLU 48 Ca 0.01 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3iqc h GLU 48 Cb 0.32 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3iqc h GLU 48 CO 0.00 -0.15 -0.24 0.87 -1.40 0.00 0.00 179.01 178.10 3iqc h LYS 49 N -0.23 0.00 -0.00 2.33 1.57 -1.96 -2.25 116.57 116.03 3iqc h LYS 49 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3iqc h LYS 49 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3iqc h LYS 49 CO -0.47 0.24 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.43 3iqc h LYS 50 N 0.00 0.00 -0.65 3.15 3.64 -0.68 -2.60 116.57 119.43 3iqc h LYS 50 Ca -0.00 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3iqc h LYS 50 Cb 0.48 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 3iqc h LYS 50 CO 0.03 0.58 0.25 0.82 -2.27 0.00 0.00 179.45 178.87 3iqc h ILE 51 N -0.57 0.75 0.18 2.00 2.04 -0.91 0.79 117.51 121.77 3iqc h ILE 51 Ca 0.00 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3iqc h ILE 51 Cb 0.58 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3iqc h ILE 51 CO 0.00 0.08 -0.53 0.22 0.00 0.00 0.00 178.15 177.92 3iqc h TYR 52 N 0.43 -1.52 -0.64 1.37 3.20 -1.39 -1.67 116.97 116.75 3iqc h TYR 52 Ca 0.34 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.15 3iqc h TYR 52 Cb 0.43 0.64 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 3iqc h TYR 52 CO -0.16 -0.61 0.06 1.88 -1.64 0.00 0.00 178.16 177.68 3iqc h TYR 53 N -0.80 1.18 -0.30 -3.82 0.05 -1.06 -2.34 116.97 109.88 3iqc h TYR 53 Ca -0.01 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 3iqc h TYR 53 Cb 0.78 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 3iqc h TYR 53 CO -0.43 1.01 0.18 0.82 -1.05 0.00 0.00 178.16 178.69 3iqc h ILE 54 N 1.01 1.10 -0.07 -2.88 2.04 -0.78 -2.61 117.51 115.33 3iqc h ILE 54 Ca 0.19 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.83 3iqc h ILE 54 Cb 0.50 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3iqc h ILE 54 CO 0.02 0.10 0.05 0.78 0.00 0.00 0.00 178.15 179.10 3iqc h ASN 55 N 0.39 0.00 0.03 1.72 2.35 -0.94 0.19 115.58 119.32 3iqc h ASN 55 Ca 0.11 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.66 3iqc h ASN 55 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3iqc h ASN 55 CO -0.02 0.00 -0.71 0.03 -1.65 0.00 0.00 177.43 175.08 3iqc h ARG 56 N 0.00 0.61 -0.38 0.81 2.47 -1.30 -0.54 114.38 116.05 3iqc h ARG 56 Ca 0.03 -0.47 -0.12 0.00 -1.26 0.00 0.00 59.98 58.17 3iqc h ARG 56 Cb 0.13 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3iqc h ARG 56 CO -0.00 1.09 -0.22 0.28 0.56 0.00 0.00 179.97 181.68 3iqc h VAL 57 N 0.43 1.28 0.03 2.04 2.07 -0.60 -2.85 116.25 118.64 3iqc h VAL 57 Ca -0.03 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 3iqc h VAL 57 Cb 1.30 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3iqc h VAL 57 CO 0.14 0.45 -0.01 0.74 0.02 0.00 0.00 177.57 178.91 3iqc h THR 58 N 0.62 1.07 -1.08 2.57 2.02 -0.73 -1.55 112.91 115.83 3iqc h THR 58 Ca 0.08 -0.30 0.31 0.00 0.77 0.00 0.00 66.41 67.27 3iqc h THR 58 Cb 0.78 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 3iqc h THR 58 CO 0.06 0.08 0.77 0.44 0.37 0.00 0.00 175.52 177.24 3iqc h ASP 59 N -0.17 0.02 0.13 4.18 5.19 -1.06 -0.35 116.42 124.36 3iqc h ASP 59 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3iqc h ASP 59 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3iqc h ASP 59 CO 0.01 0.00 -0.06 0.40 -3.12 0.00 0.00 179.24 176.47 3iqc h ILE 60 N 0.02 0.55 -0.97 0.35 2.04 -1.06 -1.36 117.51 117.08 3iqc h ILE 60 Ca 0.52 -1.17 0.20 0.00 1.00 0.00 0.00 64.86 65.40 3iqc h ILE 60 Cb 2.04 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 39.02 3iqc h ILE 60 CO -0.02 0.17 0.61 -0.26 0.00 0.00 0.00 178.15 178.65 3iqc h PHE 61 N -0.98 0.85 -0.77 1.37 0.04 -1.03 0.56 116.94 116.98 3iqc h PHE 61 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3iqc h PHE 61 Cb 0.41 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3iqc h PHE 61 CO 0.07 0.20 0.44 1.15 -0.60 0.00 0.00 178.31 179.57 3iqc h THR 62 N 0.62 1.22 -0.34 -1.55 2.02 -1.04 0.12 112.91 113.97 3iqc h THR 62 Ca 0.54 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 3iqc h THR 62 Cb 1.04 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3iqc h THR 62 CO -0.30 0.24 -0.27 -0.08 0.37 0.00 0.00 175.52 175.48 3iqc h GLU 63 N 1.07 0.78 -0.78 6.66 4.81 0.59 -2.80 114.58 124.92 3iqc h GLU 63 Ca 0.28 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3iqc h GLU 63 Cb -0.01 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 3iqc h GLU 63 CO -0.05 1.02 0.37 -0.07 -0.73 0.00 0.00 179.01 179.55 3iqc h LEU 64 N 0.56 1.01 -1.04 1.64 3.38 0.41 -2.51 115.31 118.76 3iqc h LEU 64 Ca 0.06 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3iqc h LEU 64 Cb 0.84 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3iqc h LEU 64 CO 0.07 0.86 0.02 -0.07 0.09 0.00 0.00 178.44 179.42 3iqc h LEU 65 N 1.11 0.67 -0.29 1.67 3.38 -0.58 -3.06 115.31 118.21 3iqc h LEU 65 Ca 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3iqc h LEU 65 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3iqc h LEU 65 CO -0.03 0.73 0.00 0.78 0.09 0.00 0.00 178.44 180.00 3iqc h ASN 66 N 0.67 0.00 -0.27 -0.43 2.35 -1.19 -3.18 115.58 113.53 3iqc h ASN 66 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3iqc h ASN 66 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3iqc h ASN 66 CO 0.01 0.00 0.00 2.30 -1.65 0.00 0.00 177.43 178.09 3iqc n ILE 67 N -2.79 2.13 -2.56 2.81 -5.35 -1.13 -4.98 119.36 107.49 3iqc n ILE 67 Ca 0.04 -1.77 -0.41 0.00 -0.27 0.00 0.00 62.75 60.34 3iqc n ILE 67 Cb 0.44 -0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 38.14 3iqc n ILE 67 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3iqc s LEU 68 N -2.60 4.52 -0.46 7.28 1.43 -1.20 -0.97 118.68 126.68 3iqc s LEU 68 Ca 0.40 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.42 3iqc s LEU 68 Cb 0.31 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.98 3iqc s LEU 68 CO 0.10 -0.14 0.41 -0.62 0.23 0.00 0.00 176.35 176.33 3iqc s ASP 69 N -0.38 6.16 0.41 2.29 -1.08 -0.49 -4.79 116.67 118.78 3iqc s ASP 69 Ca 0.47 -1.11 0.22 0.00 -0.52 0.00 0.00 52.55 51.61 3iqc s ASP 69 Cb -0.29 -2.20 0.73 0.00 -1.46 0.00 0.00 42.92 39.70 3iqc s ASP 69 CO 0.35 -0.63 1.74 1.88 0.52 0.00 0.00 175.17 179.03 3iqc h TYR 70 N 8.76 0.00 0.18 -5.34 0.05 -1.93 -1.23 116.97 117.46 3iqc h TYR 70 Ca -0.28 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 3iqc h TYR 70 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3iqc h TYR 70 CO 0.63 0.27 -0.09 0.93 -1.05 0.00 0.00 178.16 178.86 3iqc h GLU 71 N 0.00 -0.23 0.00 4.88 5.08 -1.93 -3.19 114.58 119.18 3iqc h GLU 71 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iqc h GLU 71 Cb 0.88 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3iqc h GLU 71 CO 0.04 0.01 -0.46 0.87 -1.00 0.00 0.00 179.01 178.46 3iqc h LYS 72 N -1.02 0.00 0.00 2.33 6.56 -1.89 -3.33 116.57 119.22 3iqc h LYS 72 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 3iqc h LYS 72 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3iqc h LYS 72 CO 0.04 0.00 -1.14 0.41 -2.06 0.00 0.00 179.45 176.70 3iqc n GLY 73 N 1.28 -1.16 7.00 3.86 0.00 -0.47 -4.76 105.19 110.95 3iqc n GLY 73 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3iqc n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iqc n GLY 74 N 1.37 2.60 0.25 -0.02 0.00 -1.21 -1.38 105.19 106.80 3iqc n GLY 74 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3iqc n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iqc h GLU 75 N 0.00 0.45 0.00 1.61 4.81 -1.95 -0.94 114.58 118.55 3iqc h GLU 75 Ca 0.00 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 3iqc h GLU 75 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3iqc h GLU 75 CO 0.00 0.57 -0.46 0.28 -0.73 0.00 0.00 179.01 178.67 3iqc h VAL 76 N 0.41 1.14 -0.11 0.32 2.07 -1.82 -0.57 116.25 117.69 3iqc h VAL 76 Ca 0.08 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.85 3iqc h VAL 76 Cb 0.47 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3iqc h VAL 76 CO 0.03 0.45 -0.21 0.00 0.02 0.00 0.00 177.57 177.86 3iqc h ALA 77 N 1.54 1.45 -0.10 1.67 0.00 0.07 -2.50 119.26 121.40 3iqc h ALA 77 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3iqc h ALA 77 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3iqc h ALA 77 CO 0.06 0.39 -0.36 0.28 0.00 0.00 0.00 179.25 179.62 3iqc h VAL 78 N 0.17 1.39 -0.20 0.00 2.07 -1.10 -2.52 116.25 116.07 3iqc h VAL 78 Ca 0.03 -1.71 0.01 0.00 0.82 0.00 0.00 66.70 65.86 3iqc h VAL 78 Cb 0.47 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 3iqc h VAL 78 CO 0.03 0.50 0.08 0.22 0.02 0.00 0.00 177.57 178.43 3iqc h TYR 79 N -0.02 0.16 -0.53 1.57 3.20 -1.01 -2.54 116.97 117.80 3iqc h TYR 79 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3iqc h TYR 79 Cb 1.00 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 3iqc h TYR 79 CO 0.12 0.08 0.28 -0.07 -1.64 0.00 0.00 178.16 176.93 3iqc h LEU 80 N 0.19 0.64 -1.17 2.82 3.38 -1.51 0.38 115.31 120.04 3iqc h LEU 80 Ca 0.08 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3iqc h LEU 80 Cb 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3iqc h LEU 80 CO -0.07 0.52 0.57 0.74 0.09 0.00 0.00 178.44 180.29 3iqc h THR 81 N 0.73 1.14 -0.42 0.22 2.02 -1.10 0.64 112.91 116.14 3iqc h THR 81 Ca 0.19 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 3iqc h THR 81 Cb 0.03 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3iqc h THR 81 CO -0.03 0.20 -0.26 1.23 0.37 0.00 0.00 175.52 177.02 3iqc h GLY 82 N 1.08 1.00 0.69 2.16 0.00 -0.78 -2.12 103.07 105.10 3iqc h GLY 82 Ca 0.34 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 3iqc h GLY 82 CO -0.10 0.85 -0.00 -2.00 0.00 0.00 0.00 176.54 175.29 3iqc h LEU 83 N 0.74 0.04 -0.15 3.11 5.85 0.29 -2.43 115.31 122.76 3iqc h LEU 83 Ca 0.09 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3iqc h LEU 83 Cb 0.84 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 3iqc h LEU 83 CO 0.07 0.36 -0.06 1.88 -0.34 0.00 0.00 178.44 180.35 3iqc h TYR 84 N -0.27 0.35 -0.37 1.25 0.05 0.21 -0.28 116.97 117.91 3iqc h TYR 84 Ca 0.01 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 3iqc h TYR 84 Cb 0.33 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3iqc h TYR 84 CO 0.04 0.61 -0.12 1.79 -1.05 0.00 0.00 178.16 179.43 3iqc h THR 85 N -0.02 1.25 0.19 -2.88 1.35 -1.44 -1.05 112.91 110.31 3iqc h THR 85 Ca 0.04 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 3iqc h THR 85 Cb 0.51 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3iqc h THR 85 CO 0.02 0.37 -0.09 -0.74 -0.25 0.00 0.00 175.52 174.83 3iqc h HIS 86 N 0.59 -0.23 -1.02 4.73 -0.00 -1.39 -2.60 115.15 115.24 3iqc h HIS 86 Ca 0.10 -0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.72 3iqc h HIS 86 Cb 0.55 0.08 -0.10 0.00 -0.00 0.00 0.00 27.41 27.94 3iqc h HIS 86 CO 0.02 -0.10 0.65 1.96 -0.00 0.00 0.00 177.93 180.46 3iqc h GLN 87 N -0.30 0.45 -0.24 5.26 7.50 -0.54 0.56 115.11 127.80 3iqc h GLN 87 Ca -0.03 -0.03 -0.15 0.00 0.50 0.00 0.00 58.65 58.95 3iqc h GLN 87 Cb 0.23 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 3iqc h GLN 87 CO 0.04 0.30 -0.46 0.82 -1.50 0.00 0.00 178.83 178.04 3iqc h ILE 88 N 0.46 1.30 -0.15 2.54 2.04 -1.04 -1.16 117.51 121.51 3iqc h ILE 88 Ca 0.59 -1.65 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 3iqc h ILE 88 Cb 1.36 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3iqc h ILE 88 CO -0.32 0.52 -0.26 0.50 0.00 0.00 0.00 178.15 178.59 3iqc h LYS 89 N 0.50 0.44 -0.52 2.37 3.64 0.14 -0.88 116.57 122.24 3iqc h LYS 89 Ca 0.03 -0.27 0.07 0.00 -1.27 0.00 0.00 60.65 59.20 3iqc h LYS 89 Cb 0.99 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.78 3iqc h LYS 89 CO 0.09 0.87 0.21 0.28 -2.27 0.00 0.00 179.45 178.63 3iqc h VAL 90 N 0.05 0.86 -0.20 2.00 2.07 -0.10 -1.32 116.25 119.60 3iqc h VAL 90 Ca 0.01 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3iqc h VAL 90 Cb 0.85 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3iqc h VAL 90 CO 0.06 0.07 -0.00 -0.07 0.02 0.00 0.00 177.57 177.65 3iqc h LEU 91 N 0.41 -0.08 -1.24 2.57 3.38 -0.96 -0.79 115.31 118.60 3iqc h LEU 91 Ca 0.25 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.31 3iqc h LEU 91 Cb 0.24 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3iqc h LEU 91 CO -0.23 -0.01 0.54 0.74 0.09 0.00 0.00 178.44 179.56 3iqc h THR 92 N 0.06 1.08 -0.35 0.22 2.02 -0.77 -1.18 112.91 113.99 3iqc h THR 92 Ca 0.09 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3iqc h THR 92 Cb 0.12 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3iqc h THR 92 CO -0.16 0.17 -0.11 1.56 0.37 0.00 0.00 175.52 177.36 3iqc h GLN 93 N 0.95 0.70 -0.51 6.66 4.20 -0.71 -0.65 115.11 125.74 3iqc h GLN 93 Ca 0.34 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3iqc h GLN 93 Cb 0.15 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3iqc h GLN 93 CO -0.11 0.87 0.18 0.00 -0.67 0.00 0.00 178.83 179.09 3iqc h ALA 94 N 0.81 1.36 0.30 3.87 0.00 -0.59 -0.49 119.26 124.52 3iqc h ALA 94 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3iqc h ALA 94 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iqc h ALA 94 CO 0.04 0.47 -0.15 -0.97 0.00 0.00 0.00 179.25 178.65 3iqc h ASN 95 N 0.73 -0.35 -0.53 0.00 -0.73 -1.09 -1.41 115.58 112.21 3iqc h ASN 95 Ca 0.17 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.38 3iqc h ASN 95 Cb 0.19 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 38.83 3iqc h ASN 95 CO -0.01 -0.21 0.32 0.58 -0.37 0.00 0.00 177.43 177.74 3iqc h VAL 96 N -0.49 1.06 -0.58 2.57 2.07 -0.95 -2.48 116.25 117.44 3iqc h VAL 96 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3iqc h VAL 96 Cb 0.31 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3iqc h VAL 96 CO 0.07 0.11 0.00 -1.84 0.02 0.00 0.00 177.57 175.93 3iqc n GLU 97 N -4.79 2.66 -3.42 1.57 0.28 -0.21 -4.99 120.64 111.74 3iqc n GLU 97 Ca 0.04 -2.46 -0.18 0.00 -0.16 0.00 0.00 57.16 54.40 3iqc n GLU 97 Cb 0.07 -1.50 0.07 0.00 1.43 0.00 0.00 31.44 31.51 3iqc n GLU 97 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3iqc n ASN 98 N 1.41 -4.05 -4.21 -1.84 3.02 -0.60 -5.00 115.26 103.99 3iqc n ASN 98 Ca 0.21 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.69 3iqc n ASN 98 Cb 0.58 -4.83 -0.15 0.00 -0.61 0.00 0.00 39.78 34.77 3iqc n ASN 98 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iqc s ASP 99 N -3.89 3.87 0.08 6.41 -1.08 -0.78 -4.99 116.67 116.30 3iqc s ASP 99 Ca 0.23 -0.63 0.06 0.00 -0.52 0.00 0.00 52.55 51.69 3iqc s ASP 99 Cb -0.04 -1.62 -0.23 0.00 -1.46 0.00 0.00 42.92 39.57 3iqc s ASP 99 CO 0.76 -0.04 1.14 0.00 0.52 0.00 0.00 175.17 177.55 3iqc h ALA 100 N 8.02 0.37 -0.42 3.66 0.00 -1.94 -3.27 119.26 125.67 3iqc h ALA 100 Ca -0.41 -1.00 0.11 0.00 0.00 0.00 0.00 54.91 53.61 3iqc h ALA 100 Cb 1.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3iqc h ALA 100 CO 0.61 1.25 0.30 0.66 0.00 0.00 0.00 179.25 182.07 3iqc h SER 101 N 0.02 0.06 -0.11 0.00 4.64 -2.00 -2.23 113.55 113.93 3iqc h SER 101 Ca -0.08 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 3iqc h SER 101 Cb 1.85 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 3iqc h SER 101 CO 0.13 0.04 -0.28 0.11 -0.87 0.00 0.00 176.83 175.96 3iqc h LYS 102 N 0.07 0.39 -0.71 4.77 1.57 -1.98 -2.63 116.57 118.05 3iqc h LYS 102 Ca 0.20 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3iqc h LYS 102 Cb 0.71 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 3iqc h LYS 102 CO -0.01 0.88 0.47 0.82 -0.57 0.00 0.00 179.45 181.03 3iqc h ILE 103 N -0.04 1.18 -0.96 1.86 2.04 -1.55 -0.83 117.51 119.22 3iqc h ILE 103 Ca -0.00 -0.33 0.19 0.00 1.00 0.00 0.00 64.86 65.72 3iqc h ILE 103 Cb 0.89 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 3iqc h ILE 103 CO 0.06 0.17 0.61 0.44 0.00 0.00 0.00 178.15 179.43 3iqc h ASP 104 N 0.95 0.61 -0.39 1.72 3.32 -1.26 -0.63 116.42 120.74 3iqc h ASP 104 Ca 0.26 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 3iqc h ASP 104 Cb -0.10 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3iqc h ASP 104 CO -0.06 0.24 0.06 -0.07 -1.72 0.00 0.00 179.24 177.69 3iqc h LEU 105 N 0.60 0.62 0.01 1.55 3.38 -0.78 -1.07 115.31 119.62 3iqc h LEU 105 Ca 0.52 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3iqc h LEU 105 Cb 1.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3iqc h LEU 105 CO -0.27 0.73 -0.00 0.58 0.09 0.00 0.00 178.44 179.57 3iqc h VAL 106 N 0.49 1.16 -0.61 1.22 2.07 -1.15 -1.51 116.25 117.92 3iqc h VAL 106 Ca 0.12 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.23 3iqc h VAL 106 Cb 0.38 1.52 -0.12 0.00 -1.52 0.00 0.00 31.29 31.55 3iqc h VAL 106 CO 0.01 0.13 -0.23 -0.07 0.02 0.00 0.00 177.57 177.43 3iqc h LEU 107 N -0.24 -0.82 -1.99 2.57 4.07 -1.17 0.10 115.31 117.84 3iqc h LEU 107 Ca -0.00 0.21 0.03 0.00 0.08 0.00 0.00 57.88 58.20 3iqc h LEU 107 Cb 0.23 0.47 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 3iqc h LEU 107 CO 0.00 -0.25 0.09 0.78 -1.08 0.00 0.00 178.44 177.98 3iqc h ASN 108 N -0.08 0.02 0.01 -0.43 4.21 -1.00 -0.84 115.58 117.47 3iqc h ASN 108 Ca 0.28 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.70 3iqc h ASN 108 Cb 0.51 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.71 3iqc h ASN 108 CO -0.66 0.01 -0.33 0.58 -1.29 0.00 0.00 177.43 175.74 3iqc h VAL 109 N 0.02 1.54 0.00 2.81 2.07 0.20 -2.70 116.25 120.19 3iqc h VAL 109 Ca 0.06 -2.03 -0.07 0.00 0.82 0.00 0.00 66.70 65.48 3iqc h VAL 109 Cb 0.22 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3iqc h VAL 109 CO -0.00 0.56 -0.32 0.00 0.02 0.00 0.00 177.57 177.83 3iqc h ALA 110 N 0.24 1.41 -0.18 1.67 0.00 -0.76 -1.93 119.26 119.70 3iqc h ALA 110 Ca -0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3iqc h ALA 110 Cb 1.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3iqc h ALA 110 CO 0.06 0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.83 3iqc h ARG 111 N 0.00 0.25 -0.83 0.00 3.08 -1.15 -0.56 114.38 115.17 3iqc h ARG 111 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3iqc h ARG 111 Cb 0.59 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3iqc h ARG 111 CO 0.04 0.21 0.42 0.78 -1.07 0.00 0.00 179.97 180.36 3iqc h GLY 112 N 0.22 1.26 0.95 0.04 0.00 -1.03 0.25 103.07 104.76 3iqc h GLY 112 Ca 0.07 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3iqc h GLY 112 CO -0.01 0.57 0.07 1.41 0.00 0.00 0.00 176.54 178.58 3iqc h LEU 113 N 1.17 0.68 -0.32 3.11 3.38 -1.24 -1.75 115.31 120.35 3iqc h LEU 113 Ca 0.29 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3iqc h LEU 113 Cb 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3iqc h LEU 113 CO -0.04 0.77 -0.37 0.25 0.09 0.00 0.00 178.44 179.13 3iqc h LEU 114 N 0.57 0.88 -0.59 1.67 5.85 -0.71 -0.29 115.31 122.69 3iqc h LEU 114 Ca 0.13 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3iqc h LEU 114 Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3iqc h LEU 114 CO 0.01 1.19 0.38 -0.08 -0.34 0.00 0.00 178.44 179.60 3iqc h GLU 115 N 0.59 0.78 -0.62 1.25 4.81 -0.88 0.10 114.58 120.60 3iqc h GLU 115 Ca 0.04 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3iqc h GLU 115 Cb 0.96 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 3iqc h GLU 115 CO 0.09 0.52 0.17 0.00 -0.73 0.00 0.00 179.01 179.06 3iqc h ALA 116 N 1.21 0.82 -0.37 2.92 0.00 -1.06 0.28 119.26 123.06 3iqc h ALA 116 Ca 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3iqc h ALA 116 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3iqc h ALA 116 CO -0.05 0.51 0.03 2.35 0.00 0.00 0.00 179.25 182.10 3iqc h TRP 117 N 0.90 0.68 -0.76 0.00 2.91 -0.56 -2.21 115.95 116.92 3iqc h TRP 117 Ca 0.20 -0.11 -0.06 0.00 1.13 0.00 0.00 58.89 60.05 3iqc h TRP 117 Cb 0.33 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.77 3iqc h TRP 117 CO 0.02 0.71 0.24 0.00 -1.03 0.00 0.00 178.44 178.38 3iqc h ARG 118 N 0.46 1.17 -0.67 2.65 3.08 -0.67 -2.40 114.38 118.00 3iqc h ARG 118 Ca 0.11 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 60.03 3iqc h ARG 118 Cb 0.42 -0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 3iqc h ARG 118 CO 0.01 0.99 0.24 1.49 -1.07 0.00 0.00 179.97 181.63 3iqc h GLU 119 N 1.13 0.38 -0.08 0.04 4.57 -0.57 -1.74 114.58 118.31 3iqc h GLU 119 Ca 0.24 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.24 3iqc h GLU 119 Cb 0.30 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3iqc h GLU 119 CO -0.01 0.25 -0.64 0.82 -1.18 0.00 0.00 179.01 178.26 3iqc h ILE 120 N 0.39 1.39 -1.72 2.32 2.04 -1.30 -3.28 117.51 117.34 3iqc h ILE 120 Ca 0.36 -2.03 -0.68 0.00 1.00 0.00 0.00 64.86 63.51 3iqc h ILE 120 Cb 0.51 2.03 -0.35 0.00 -0.74 0.00 0.00 36.82 38.27 3iqc h ILE 120 CO -0.37 0.60 0.15 1.41 0.00 0.00 0.00 178.15 179.94 3iqc n HIS 121 N -3.86 3.20 -0.01 1.37 8.25 -0.91 -4.86 115.22 118.39 3iqc n HIS 121 Ca -0.03 -2.72 -0.09 0.00 -0.26 0.00 0.00 57.72 54.62 3iqc n HIS 121 Cb 0.64 -0.64 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 3iqc n HIS 121 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3iqc h SER 122 N 2.76 -0.20 0.13 0.41 0.87 -1.39 -1.68 113.55 114.45 3iqc h SER 122 Ca 0.44 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.89 3iqc h SER 122 Cb 0.50 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 3iqc h SER 122 CO 1.14 -0.08 -0.58 0.44 -0.53 0.00 0.00 176.83 177.22 3iqc h ASP 123 N -0.04 0.52 0.44 6.23 5.19 -1.89 -3.29 116.42 123.57 3iqc h ASP 123 Ca 0.07 -0.28 -0.22 0.00 -0.62 0.00 0.00 57.03 55.98 3iqc h ASP 123 Cb 0.15 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3iqc h ASP 123 CO -0.16 0.98 -0.94 -0.08 -3.12 0.00 0.00 179.24 175.92 3iqc h GLU 124 N 0.35 0.32 -0.54 3.56 4.81 -1.82 -3.27 114.58 117.99 3iqc h GLU 124 Ca 0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3iqc h GLU 124 Cb 1.11 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3iqc h GLU 124 CO 0.10 1.06 0.00 1.28 -0.73 0.00 0.00 179.01 180.72 3iqc n LEU 125 N -3.70 3.63 0.00 1.64 4.77 -0.68 -4.99 117.00 117.67 3iqc n LEU 125 Ca -0.06 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 3iqc n LEU 125 Cb 0.84 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3iqc n LEU 125 CO 0.50 0.85 0.17 0.00 -1.33 0.00 0.00 177.39 177.58