#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqb n GLY 4 N -0.37 -2.19 0.24 0.00 0.00 -1.03 -0.86 105.19 100.98 1iqb n GLY 4 Ca -0.07 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 1iqb n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iqb h SER 5 N 0.00 0.52 1.11 1.61 4.64 -1.92 0.29 113.55 119.80 1iqb h SER 5 Ca 0.00 -0.17 -0.16 0.00 -0.47 0.00 0.00 61.79 60.99 1iqb h SER 5 Cb 0.00 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1iqb h SER 5 CO 0.00 0.74 -0.75 1.56 -0.87 0.00 0.00 176.83 177.51 1iqb h GLN 6 N 0.47 0.00 -0.01 4.77 1.08 -1.83 -3.32 115.11 116.27 1iqb h GLN 6 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1iqb h GLN 6 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1iqb h GLN 6 CO 0.05 0.75 -0.32 0.41 -0.95 0.00 0.00 178.83 178.77 1iqb n GLY 7 N 1.11 -0.45 0.00 3.46 0.00 -0.04 -4.91 105.19 104.37 1iqb n GLY 7 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1iqb n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqb n GLY 8 N 1.36 1.14 0.62 -0.02 0.00 -0.22 -4.23 105.19 103.84 1iqb n GLY 8 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1iqb n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqb n GLY 9 N -0.43 0.82 3.82 -0.02 0.00 0.86 -4.92 105.19 105.33 1iqb n GLY 9 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1iqb n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqb s GLY 10 N -2.17 1.64 0.02 -0.02 0.00 -1.26 -4.58 107.32 100.96 1iqb s GLY 10 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.62 1iqb s GLY 10 CO 0.00 0.26 0.10 -1.59 0.00 0.00 0.00 173.10 171.87 1iqb s THR 11 N -3.14 4.79 0.27 0.90 2.01 -1.26 -2.47 115.64 116.74 1iqb s THR 11 Ca 0.59 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1iqb s THR 11 Cb -0.14 -3.24 -0.09 0.00 0.01 0.00 0.00 72.50 69.04 1iqb s THR 11 CO 0.54 0.27 1.12 0.00 -0.69 0.00 0.00 174.62 175.86 1iqb n PRO 13 N 1.28 1.71 -2.09 0.00 -0.04 -1.26 -2.14 135.00 132.47 1iqb n PRO 13 Ca -0.01 0.62 -0.18 0.00 -0.04 0.00 0.00 63.50 63.89 1iqb n PRO 13 Cb 0.45 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1iqb n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iqb n ALA 14 N -0.51 -0.53 -4.24 0.55 0.00 -1.26 -2.86 120.51 111.66 1iqb n ALA 14 Ca 0.08 0.20 -0.36 0.00 0.00 0.00 0.00 53.44 53.36 1iqb n ALA 14 Cb 0.41 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1iqb n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iqb n LEU 15 N -2.66 -1.64 -4.66 0.00 4.77 -0.91 -1.73 117.00 110.17 1iqb n LEU 15 Ca -0.20 -1.04 -0.29 0.00 -0.03 0.00 0.00 56.01 54.44 1iqb n LEU 15 Cb 0.63 -2.03 0.20 0.00 -2.33 0.00 0.00 43.42 39.89 1iqb n LEU 15 CO 0.26 0.29 0.65 0.26 -1.33 0.00 0.00 177.39 177.52 1iqb s TRP 16 N -3.38 1.44 0.18 -1.77 0.23 -1.13 -4.82 118.94 109.68 1iqb s TRP 16 Ca 0.66 0.72 -0.30 0.00 -2.03 0.00 0.00 56.10 55.16 1iqb s TRP 16 Cb -0.37 -3.40 -0.08 0.00 0.03 0.00 0.00 33.47 29.66 1iqb s TRP 16 CO 0.94 -3.27 1.10 0.00 0.96 0.00 0.00 176.95 176.68 1iqb s SER 19 N 1.62 2.21 0.34 0.00 1.04 -0.46 0.66 113.70 119.12 1iqb s SER 19 Ca 0.05 1.28 0.26 0.00 0.48 0.00 0.00 55.95 58.02 1iqb s SER 19 Cb -0.17 -1.97 1.07 0.00 0.10 0.00 0.00 66.02 65.05 1iqb s SER 19 CO 0.07 -3.40 1.79 0.16 0.98 0.00 0.00 173.24 172.83 1iqb h ILE 20 N -2.08 0.00 -0.12 -1.02 3.07 -0.91 -1.42 117.51 115.04 1iqb h ILE 20 Ca -0.56 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.52 1iqb h ILE 20 Cb 1.33 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 1iqb h ILE 20 CO 0.56 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 178.45 1iqb n TRP 21 N -2.48 0.15 -1.37 0.16 8.01 -1.26 -4.65 117.44 116.00 1iqb n TRP 21 Ca 0.02 -0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 1iqb n TRP 21 Cb 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.56 1iqb n TRP 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1iqb n GLY 22 N 1.13 0.86 3.23 6.99 0.00 -0.53 -4.65 105.19 112.23 1iqb n GLY 22 Ca 0.17 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 1iqb n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iqb s TRP 23 N -2.00 1.52 0.09 1.61 0.52 -1.26 -1.30 118.94 118.12 1iqb s TRP 23 Ca 0.00 -0.44 -0.20 0.00 0.02 0.00 0.00 56.10 55.49 1iqb s TRP 23 Cb 0.00 -0.84 -0.07 0.00 -1.15 0.00 0.00 33.47 31.41 1iqb s TRP 23 CO 0.00 0.14 0.59 0.00 0.02 0.00 0.00 176.95 177.69 1iqb n GLY 25 N 1.64 1.13 0.44 0.00 0.00 0.17 -4.97 105.19 103.60 1iqb n GLY 25 Ca -0.10 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 44.92 1iqb n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iqb n ASP 26 N -0.87 0.19 -4.92 1.61 3.85 -1.26 -1.79 116.55 113.36 1iqb n ASP 26 Ca -0.01 -2.03 -0.23 0.00 -0.71 0.00 0.00 54.79 51.81 1iqb n ASP 26 Cb 0.20 -0.21 -0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1iqb n ASP 26 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1iqb s SER 27 N -1.09 4.85 0.31 -1.12 1.04 -1.26 -4.89 113.70 111.54 1iqb s SER 27 Ca 0.02 -1.01 0.07 0.00 0.48 0.00 0.00 55.95 55.51 1iqb s SER 27 Cb 0.02 0.06 0.82 0.00 0.10 0.00 0.00 66.02 67.03 1iqb s SER 27 CO 0.00 -1.00 1.69 -0.08 0.98 0.00 0.00 173.24 174.84 1iqb h GLU 28 N 0.74 0.39 -0.01 4.02 4.57 -1.98 0.91 114.58 123.23 1iqb h GLU 28 Ca -0.37 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1iqb h GLU 28 Cb 1.29 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1iqb h GLU 28 CO 0.54 0.26 0.01 -1.35 -1.18 0.00 0.00 179.01 177.29 1iqb h PRO 29 N 0.40 0.00 0.03 0.92 0.11 -1.95 0.34 132.00 131.86 1iqb h PRO 29 Ca 0.61 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 66.33 1iqb h PRO 29 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1iqb h PRO 29 CO -0.55 0.00 -2.34 0.66 -0.21 0.00 0.00 178.00 175.57 1iqb n TYR 30 N -3.98 0.31 -0.02 0.65 4.02 -0.81 -4.26 117.16 113.07 1iqb n TYR 30 Ca -0.03 0.07 0.07 0.00 -0.01 0.00 0.00 57.90 58.01 1iqb n TYR 30 Cb 0.09 -1.04 -0.13 0.00 -0.02 0.00 0.00 39.34 38.24 1iqb n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iqb n GLY 32 N 1.57 0.54 0.30 0.00 0.00 0.12 -2.55 105.19 105.16 1iqb n GLY 32 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1iqb n GLY 32 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1iqb h ARG 33 N 0.00 0.42 -1.03 1.61 3.08 -1.91 -2.48 114.38 114.06 1iqb h ARG 33 Ca 0.00 -0.03 -0.65 0.00 0.07 0.00 0.00 59.98 59.38 1iqb h ARG 33 Cb 0.00 -0.10 -0.33 0.00 0.08 0.00 0.00 29.97 29.62 1iqb h ARG 33 CO 0.00 0.28 0.35 0.25 -1.07 0.00 0.00 179.97 179.78 1iqb n THR 34 N -5.02 3.27 -3.61 2.04 -2.24 -1.26 -4.97 114.28 102.49 1iqb n THR 34 Ca 0.18 -3.49 -0.35 0.00 -2.27 0.00 0.00 64.05 58.12 1iqb n THR 34 Cb 0.52 -1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 1iqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqb n GLU 36 N 1.10 0.52 -3.69 0.00 2.13 0.21 -4.60 120.64 116.31 1iqb n GLU 36 Ca -0.10 0.15 -0.10 0.00 0.66 0.00 0.00 57.16 57.77 1iqb n GLU 36 Cb 0.52 -1.39 -0.05 0.00 0.27 0.00 0.00 31.44 30.80 1iqb n GLU 36 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1iqb s ASN 37 N -6.33 -0.19 -1.27 4.31 4.22 -0.83 -4.88 114.94 109.97 1iqb s ASN 37 Ca -0.29 -0.40 -0.00 0.00 -2.14 0.00 0.00 52.86 50.02 1iqb s ASN 37 Cb 0.09 0.47 0.00 0.00 1.28 0.00 0.00 41.25 43.09 1iqb s ASN 37 CO 0.46 -0.87 0.82 0.29 -2.04 0.00 0.00 177.10 175.76 1iqb n LYS 38 N -0.22 -5.58 -3.48 3.55 4.76 -1.26 -1.27 118.16 114.66 1iqb n LYS 38 Ca -0.15 0.71 -0.32 0.00 -2.87 0.00 0.00 58.31 55.68 1iqb n LYS 38 Cb 0.63 -5.44 -0.05 0.00 -1.84 0.00 0.00 35.03 28.33 1iqb n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iqb h TRP 40 N 2.56 0.02 0.00 0.00 6.55 -1.64 0.22 115.95 123.66 1iqb h TRP 40 Ca -0.47 0.06 0.00 0.00 0.95 0.00 0.00 58.89 59.43 1iqb h TRP 40 Cb 1.17 0.13 0.00 0.00 -0.86 0.00 0.00 29.16 29.59 1iqb h TRP 40 CO 0.61 -0.29 0.00 -1.13 -1.05 0.00 0.00 178.44 176.58 1iqb n SER 41 N -5.36 0.00 -1.10 -3.49 3.41 -1.26 -2.79 113.62 103.03 1iqb n SER 41 Ca 0.18 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1iqb n SER 41 Cb 0.59 -0.37 0.26 0.00 -0.26 0.00 0.00 64.21 64.43 1iqb n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqb n GLY 42 N -0.93 1.64 3.73 5.00 0.00 0.76 -4.94 105.19 110.47 1iqb n GLY 42 Ca 0.02 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1iqb n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iqb s GLU 43 N -1.43 4.12 0.53 1.61 2.12 -1.12 -4.32 118.70 120.21 1iqb s GLU 43 Ca 0.39 2.61 -0.22 0.00 0.36 0.00 0.00 54.97 58.11 1iqb s GLU 43 Cb 0.22 -3.05 -0.06 0.00 0.26 0.00 0.00 34.13 31.51 1iqb s GLU 43 CO 0.31 -0.71 1.35 0.54 -0.54 0.00 0.00 175.26 176.21 1iqb n ARG 44 N 3.21 1.75 -0.28 4.30 1.74 -1.26 -4.88 116.66 121.24 1iqb n ARG 44 Ca 0.13 0.64 0.08 0.00 -0.77 0.00 0.00 57.85 57.92 1iqb n ARG 44 Cb 0.36 -2.56 0.31 0.00 -1.02 0.00 0.00 32.46 29.55 1iqb n ARG 44 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1iqb h SER 45 N 1.54 0.78 0.31 0.55 4.64 -1.94 0.24 113.55 119.66 1iqb h SER 45 Ca -0.51 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1iqb h SER 45 Cb 1.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1iqb h SER 45 CO 0.57 0.45 -0.05 -0.90 -0.87 0.00 0.00 176.83 176.03 1iqb n ASP 46 N -4.53 0.34 -1.07 4.97 5.68 -1.26 -4.93 116.55 115.75 1iqb n ASP 46 Ca 0.15 -0.63 -0.14 0.00 -0.50 0.00 0.00 54.79 53.67 1iqb n ASP 46 Cb 0.32 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.14 1iqb n ASP 46 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1iqb n HIS 47 N -0.96 0.00 -3.13 2.11 8.25 0.83 -4.98 115.22 117.34 1iqb n HIS 47 Ca 0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 1iqb n HIS 47 Cb 0.24 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.76 1iqb n HIS 47 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1iqb s ARG 48 N -3.15 3.69 0.35 -0.41 0.52 -1.26 -0.31 118.95 118.38 1iqb s ARG 48 Ca 0.00 0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 1iqb s ARG 48 Cb 0.00 -2.54 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 1iqb s ARG 48 CO 0.00 0.11 0.42 0.00 0.02 0.00 0.00 175.30 175.84 1iqb n GLY 50 N -0.61 1.33 0.27 0.00 0.00 -1.26 -4.48 105.19 100.43 1iqb n GLY 50 Ca 0.03 -2.11 0.05 0.00 0.00 0.00 0.00 46.02 44.00 1iqb n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqb h ALA 51 N 0.00 1.78 -0.57 4.61 0.00 -1.95 0.24 119.26 123.38 1iqb h ALA 51 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1iqb h ALA 51 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1iqb h ALA 51 CO 0.00 0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.81 1iqb h ALA 52 N 1.83 2.04 -0.44 0.00 0.00 -2.01 -1.43 119.26 119.25 1iqb h ALA 52 Ca 0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1iqb h ALA 52 Cb 0.08 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.57 1iqb h ALA 52 CO -0.00 -0.16 -0.48 1.33 0.00 0.00 0.00 179.25 179.93 1iqb n VAL 53 N -4.47 2.49 -2.02 0.00 0.24 -0.89 -4.98 118.33 108.71 1iqb n VAL 53 Ca 0.09 -3.55 -0.12 0.00 -2.04 0.00 0.00 64.34 58.72 1iqb n VAL 53 Cb 0.37 -0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 32.04 1iqb n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iqb n GLY 54 N -0.94 0.21 3.59 7.63 0.00 -0.54 -4.00 105.19 111.14 1iqb n GLY 54 Ca 0.35 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1iqb n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iqb n ASN 55 N -0.15 -2.05 -4.72 1.61 3.02 0.81 -4.95 115.26 108.83 1iqb n ASN 55 Ca -0.13 -0.71 -0.30 0.00 -0.03 0.00 0.00 54.58 53.40 1iqb n ASN 55 Cb 0.55 -4.58 0.13 0.00 -0.61 0.00 0.00 39.78 35.27 1iqb n ASN 55 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1iqb s PRO 56 N -5.76 1.47 1.19 3.52 0.04 -1.26 -4.84 135.00 129.37 1iqb s PRO 56 Ca 0.07 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1iqb s PRO 56 Cb -0.03 -1.82 0.29 0.00 0.04 0.00 0.00 34.50 32.98 1iqb s PRO 56 CO 0.77 -2.16 1.17 -1.25 0.04 0.00 0.00 177.00 175.57 1iqb s PRO 57 N -4.86 -1.17 0.37 0.56 0.04 -1.26 -4.69 135.00 123.99 1iqb s PRO 57 Ca 0.63 -0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.45 1iqb s PRO 57 Cb -0.19 -1.62 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 1iqb s PRO 57 CO 0.57 -3.64 0.04 0.00 0.04 0.00 0.00 177.00 174.01 1iqb n GLY 59 N -0.82 -1.39 3.71 0.00 0.00 -1.25 -4.09 105.19 101.36 1iqb n GLY 59 Ca -0.04 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1iqb n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iqb s GLN 60 N -3.47 4.17 -1.53 1.61 0.74 -1.26 -2.39 119.66 117.54 1iqb s GLN 60 Ca 0.12 2.47 -0.13 0.00 0.05 0.00 0.00 55.36 57.88 1iqb s GLN 60 Cb -0.00 -3.20 0.08 0.00 1.10 0.00 0.00 33.01 30.99 1iqb s GLN 60 CO 0.09 -0.69 0.92 -0.25 -0.55 0.00 0.00 175.29 174.81 1iqb n ASP 61 N 4.25 -4.18 -4.15 6.67 10.43 -1.26 -4.99 116.55 123.32 1iqb n ASP 61 Ca 0.15 -0.82 -0.18 0.00 2.57 0.00 0.00 54.79 56.51 1iqb n ASP 61 Cb 0.37 -3.74 -0.12 0.00 1.84 0.00 0.00 41.12 39.47 1iqb n ASP 61 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1iqb s ARG 62 N -6.60 0.83 0.20 -1.24 0.52 -1.00 -4.22 118.95 107.44 1iqb s ARG 62 Ca 0.59 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 1iqb s ARG 62 Cb -0.30 -0.82 -0.05 0.00 0.52 0.00 0.00 34.95 34.30 1iqb s ARG 62 CO 0.84 0.19 -0.06 0.00 0.02 0.00 0.00 175.30 176.29 1iqb s SER 65 N 1.85 3.38 0.15 0.00 1.04 -0.04 -0.17 113.70 119.92 1iqb s SER 65 Ca 0.18 1.58 0.16 0.00 0.48 0.00 0.00 55.95 58.34 1iqb s SER 65 Cb -0.16 -2.25 0.73 0.00 0.10 0.00 0.00 66.02 64.45 1iqb s SER 65 CO 0.15 -2.71 1.49 0.55 0.98 0.00 0.00 173.24 173.70 1iqb n VAL 66 N -3.94 1.17 1.18 5.02 3.14 0.90 -1.39 118.33 124.42 1iqb n VAL 66 Ca 0.07 0.41 0.12 0.00 -2.96 0.00 0.00 64.34 61.99 1iqb n VAL 66 Cb 0.55 -1.33 0.26 0.00 -1.06 0.00 0.00 33.84 32.26 1iqb n VAL 66 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1iqb n HIS 67 N -1.90 0.00 -0.42 1.45 8.25 -1.26 -4.95 115.22 116.39 1iqb n HIS 67 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1iqb n HIS 67 Cb 0.12 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1iqb n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iqb n GLY 68 N 1.35 1.41 3.01 -1.41 0.00 -0.49 -5.00 105.19 104.07 1iqb n GLY 68 Ca 0.12 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1iqb n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iqb s TRP 69 N -2.08 0.86 0.28 1.61 0.52 -1.25 -0.87 118.94 118.01 1iqb s TRP 69 Ca 0.00 -0.18 -0.20 0.00 0.02 0.00 0.00 56.10 55.73 1iqb s TRP 69 Cb 0.00 -0.58 -0.09 0.00 -1.15 0.00 0.00 33.47 31.65 1iqb s TRP 69 CO 0.00 -0.05 0.80 0.00 0.02 0.00 0.00 176.95 177.72 1iqb n GLY 71 N 0.39 0.11 3.77 0.00 0.00 -0.79 -4.93 105.19 103.74 1iqb n GLY 71 Ca 0.00 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 1iqb n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqb s GLY 72 N 0.00 2.14 0.00 -0.02 0.00 -1.26 -0.36 107.32 107.82 1iqb s GLY 72 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1iqb s GLY 72 CO 0.00 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1iqb n GLY 73 N -1.27 0.48 0.31 0.20 0.00 -1.26 -4.51 105.19 99.14 1iqb n GLY 73 Ca -0.01 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.28 1iqb n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iqb h ASN 74 N 0.00 0.42 -0.42 1.61 4.21 -1.93 0.31 115.58 119.79 1iqb h ASN 74 Ca 0.00 0.13 0.12 0.00 1.21 0.00 0.00 56.30 57.76 1iqb h ASN 74 Cb 0.00 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1iqb h ASN 74 CO 0.00 0.10 0.37 -2.24 -1.29 0.00 0.00 177.43 174.37 1iqb h ASP 75 N 0.50 0.00 0.00 5.81 3.04 -1.92 0.86 116.42 124.71 1iqb h ASP 75 Ca 0.52 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 54.03 1iqb h ASP 75 Cb 0.88 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.12 1iqb h ASP 75 CO -0.45 0.00 -2.04 -1.22 -2.04 0.00 0.00 179.24 173.48 1iqb n TYR 76 N -4.00 0.00 0.52 4.15 4.02 -0.29 -4.78 117.16 116.78 1iqb n TYR 76 Ca 0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.03 1iqb n TYR 76 Cb 0.56 -0.75 -0.09 0.00 -0.02 0.00 0.00 39.34 39.04 1iqb n TYR 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iqb s SER 78 N -2.71 6.41 0.08 0.00 0.01 0.25 -3.57 113.70 114.18 1iqb s SER 78 Ca 0.03 0.48 -0.09 0.00 1.31 0.00 0.00 55.95 57.69 1iqb s SER 78 Cb 0.11 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.11 1iqb s SER 78 CO 0.61 0.12 0.14 0.61 0.41 0.00 0.00 173.24 175.13 1iqb n GLY 79 N 3.33 -0.63 4.39 3.44 0.00 -1.26 -1.63 105.19 112.83 1iqb n GLY 79 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1iqb n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iqb n SER 80 N 0.67 0.00 0.20 1.61 7.64 -1.26 -4.44 113.62 118.04 1iqb n SER 80 Ca 0.05 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1iqb n SER 80 Cb 0.09 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.46 1iqb n SER 80 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1iqb h LYS 81 N 0.00 0.00 -5.48 1.43 6.56 -1.64 -3.44 116.57 113.99 1iqb h LYS 81 Ca 0.00 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.95 1iqb h LYS 81 Cb 0.00 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 31.48 1iqb h LYS 81 CO 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 179.45 176.77 1iqb n GLN 83 N 3.14 0.69 -3.81 0.00 10.64 0.76 -4.66 117.38 124.14 1iqb n GLN 83 Ca -0.17 0.17 -0.09 0.00 -1.83 0.00 0.00 57.00 55.07 1iqb n GLN 83 Cb 0.53 -1.61 -0.03 0.00 -0.86 0.00 0.00 30.24 28.27 1iqb n GLN 83 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 1iqb s TYR 84 N -2.53 -0.06 -1.49 2.61 -0.85 -1.11 -4.93 117.35 109.00 1iqb s TYR 84 Ca -0.23 -0.32 -0.11 0.00 -0.52 0.00 0.00 57.07 55.90 1iqb s TYR 84 Cb 0.08 0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.93 1iqb s TYR 84 CO 0.72 -1.02 0.91 0.54 -1.52 0.00 0.00 175.55 175.17 1iqb n ARG 85 N -0.39 -5.31 -2.69 -3.49 1.74 -0.70 -2.22 116.66 103.61 1iqb n ARG 85 Ca -0.07 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.18 1iqb n ARG 85 Cb 0.61 -5.39 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 1iqb n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iqb s SER 87 N 1.10 -0.35 0.00 0.00 1.04 -1.23 -4.79 113.70 109.47 1iqb s SER 87 Ca 0.48 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1iqb s SER 87 Cb -0.18 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.23 1iqb s SER 87 CO 0.17 -0.18 0.00 -1.20 0.98 0.00 0.00 173.24 173.01 1iqb n SER 88 N 4.00 0.00 -0.20 7.02 7.64 -1.26 -4.81 113.62 126.01 1iqb n SER 88 Ca 0.14 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.04 1iqb n SER 88 Cb 0.52 0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.83 1iqb n SER 88 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49