#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq6 s ALA 2 N 0.00 3.31 -0.31 7.33 0.00 -1.26 -4.99 121.76 125.85 1iq6 s ALA 2 Ca 0.00 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.24 1iq6 s ALA 2 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1iq6 s ALA 2 CO 0.00 -1.01 0.17 -0.65 0.00 0.00 0.00 175.76 174.27 1iq6 s GLN 3 N -2.28 3.47 0.55 0.00 -0.21 -1.26 -5.08 119.66 114.86 1iq6 s GLN 3 Ca 0.57 -0.63 -0.18 0.00 0.02 0.00 0.00 55.36 55.14 1iq6 s GLN 3 Cb -0.42 -3.62 -0.05 0.00 1.00 0.00 0.00 33.01 29.92 1iq6 s GLN 3 CO 0.54 -0.38 1.09 -1.54 -2.12 0.00 0.00 175.29 172.89 1iq6 s SER 4 N 1.66 5.83 0.24 5.90 1.04 -1.26 -5.00 113.70 122.11 1iq6 s SER 4 Ca 0.05 2.02 -0.30 0.00 0.48 0.00 0.00 55.95 58.20 1iq6 s SER 4 Cb -0.17 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.30 1iq6 s SER 4 CO 0.08 -1.14 1.05 -0.22 0.98 0.00 0.00 173.24 173.99 1iq6 s LEU 5 N -3.97 4.56 0.02 2.42 2.96 -1.26 -5.04 118.68 118.36 1iq6 s LEU 5 Ca 0.69 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1iq6 s LEU 5 Cb -0.20 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.86 1iq6 s LEU 5 CO 0.29 -0.08 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.59 1iq6 s GLU 6 N -1.06 0.27 0.30 1.98 2.02 -1.26 -5.10 118.70 115.85 1iq6 s GLU 6 Ca 0.45 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.69 1iq6 s GLU 6 Cb -0.29 0.00 -0.11 0.00 0.10 0.00 0.00 34.13 33.83 1iq6 s GLU 6 CO 0.37 -0.02 1.60 0.08 0.02 0.00 0.00 175.26 177.32 1iq6 s VAL 7 N -1.01 2.01 0.00 2.63 1.01 -1.26 -2.05 120.40 121.73 1iq6 s VAL 7 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1iq6 s VAL 7 Cb -0.07 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1iq6 s VAL 7 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1iq6 n GLY 8 N 2.06 2.65 3.77 4.51 0.00 0.32 -5.00 105.19 113.50 1iq6 n GLY 8 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1iq6 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iq6 s GLN 9 N -0.92 3.84 0.11 1.61 -0.21 -0.87 -4.76 119.66 118.46 1iq6 s GLN 9 Ca 0.00 1.89 -0.02 0.00 0.02 0.00 0.00 55.36 57.26 1iq6 s GLN 9 Cb 0.00 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 1iq6 s GLN 9 CO 0.00 -0.52 0.05 -1.59 -2.12 0.00 0.00 175.29 171.11 1iq6 s LYS 10 N -2.51 0.85 0.02 2.91 -2.85 -1.26 -0.94 119.74 115.96 1iq6 s LYS 10 Ca 0.61 -1.34 -0.18 0.00 -1.00 0.00 0.00 55.97 54.06 1iq6 s LYS 10 Cb -0.32 0.25 0.03 0.00 -2.06 0.00 0.00 37.83 35.73 1iq6 s LYS 10 CO 0.39 -0.23 0.40 0.00 0.10 0.00 0.00 175.35 176.01 1iq6 s ALA 11 N -4.00 -0.98 0.18 0.59 0.00 -0.57 -5.00 121.76 111.97 1iq6 s ALA 11 Ca 0.18 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 1iq6 s ALA 11 Cb 0.07 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.47 1iq6 s ALA 11 CO -0.02 -0.40 0.44 -0.98 0.00 0.00 0.00 175.76 174.79 1iq6 s ARG 12 N -2.13 1.28 0.12 0.00 1.70 -1.26 -1.20 118.95 117.45 1iq6 s ARG 12 Ca -0.08 -0.95 -0.20 0.00 -0.47 0.00 0.00 55.73 54.04 1iq6 s ARG 12 Cb -0.02 0.47 0.05 0.00 -0.57 0.00 0.00 34.95 34.88 1iq6 s ARG 12 CO -0.00 -0.52 0.50 -0.48 -1.08 0.00 0.00 175.30 173.72 1iq6 s LEU 13 N -2.90 -0.05 0.12 -1.89 0.05 -0.69 -4.99 118.68 108.33 1iq6 s LEU 13 Ca 0.11 -0.09 0.08 0.00 0.05 0.00 0.00 54.13 54.29 1iq6 s LEU 13 Cb 0.01 2.17 -0.04 0.00 -2.05 0.00 0.00 46.19 46.28 1iq6 s LEU 13 CO -0.03 -0.86 -0.20 -0.44 -0.55 0.00 0.00 176.35 174.27 1iq6 s SER 14 N -2.58 2.59 -0.04 1.48 0.01 -1.26 -0.45 113.70 113.45 1iq6 s SER 14 Ca 0.00 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.23 1iq6 s SER 14 Cb 0.00 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.16 1iq6 s SER 14 CO -0.10 0.04 0.70 -0.75 0.41 0.00 0.00 173.24 173.53 1iq6 s LYS 15 N -2.15 1.05 -0.21 12.44 2.20 -0.57 -4.98 119.74 127.52 1iq6 s LYS 15 Ca 0.09 0.17 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1iq6 s LYS 15 Cb -0.09 0.49 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 1iq6 s LYS 15 CO 0.05 -0.34 -0.06 1.03 -0.36 0.00 0.00 175.35 175.67 1iq6 s ARG 16 N -1.46 3.37 -0.45 4.03 0.52 -1.26 -1.20 118.95 122.50 1iq6 s ARG 16 Ca -0.09 -0.64 -0.15 0.00 -0.52 0.00 0.00 55.73 54.33 1iq6 s ARG 16 Cb -0.00 -2.94 0.06 0.00 0.52 0.00 0.00 34.95 32.58 1iq6 s ARG 16 CO 0.07 -0.14 0.35 -0.06 0.02 0.00 0.00 175.30 175.55 1iq6 s PHE 17 N 1.31 3.25 0.21 -0.53 0.40 -1.25 -4.97 117.98 116.41 1iq6 s PHE 17 Ca 0.04 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 1iq6 s PHE 17 Cb -0.14 -2.96 0.04 0.00 0.51 0.00 0.00 43.02 40.47 1iq6 s PHE 17 CO -0.03 -0.73 0.30 0.41 0.70 0.00 0.00 175.22 175.87 1iq6 n GLY 18 N 5.17 1.35 0.31 4.36 0.00 -1.26 -0.68 105.19 114.44 1iq6 n GLY 18 Ca -0.12 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 43.90 1iq6 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq6 h ALA 19 N -0.05 1.29 -0.59 4.61 0.00 -1.97 -1.20 119.26 121.36 1iq6 h ALA 19 Ca -0.10 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1iq6 h ALA 19 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1iq6 h ALA 19 CO 0.12 -0.12 0.18 0.00 0.00 0.00 0.00 179.25 179.44 1iq6 h ALA 20 N 1.57 0.77 -0.33 0.00 0.00 -1.99 -0.38 119.26 118.90 1iq6 h ALA 20 Ca 0.47 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1iq6 h ALA 20 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1iq6 h ALA 20 CO -0.38 0.43 -0.18 0.93 0.00 0.00 0.00 179.25 180.06 1iq6 h GLU 21 N 0.83 0.71 -0.69 0.00 3.07 -1.74 -1.32 114.58 115.43 1iq6 h GLU 21 Ca 0.19 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1iq6 h GLU 21 Cb 0.29 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1iq6 h GLU 21 CO -0.01 0.92 0.26 0.28 -1.40 0.00 0.00 179.01 179.06 1iq6 h VAL 22 N 0.48 1.24 -0.60 3.13 2.07 -1.14 -0.59 116.25 120.84 1iq6 h VAL 22 Ca 0.07 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1iq6 h VAL 22 Cb 0.72 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1iq6 h VAL 22 CO 0.05 0.31 0.10 0.00 0.02 0.00 0.00 177.57 178.05 1iq6 h ALA 23 N 1.27 0.80 -0.58 1.67 0.00 -0.91 -0.24 119.26 121.27 1iq6 h ALA 23 Ca 0.23 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1iq6 h ALA 23 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1iq6 h ALA 23 CO -0.02 0.55 0.08 0.00 0.00 0.00 0.00 179.25 179.86 1iq6 h ALA 24 N 1.02 1.05 -0.30 0.00 0.00 -0.77 -1.68 119.26 118.57 1iq6 h ALA 24 Ca 0.18 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1iq6 h ALA 24 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iq6 h ALA 24 CO 0.01 0.61 -0.41 0.35 0.00 0.00 0.00 179.25 179.82 1iq6 h PHE 25 N 0.89 0.87 -0.54 0.00 3.57 -0.81 -2.03 116.94 118.89 1iq6 h PHE 25 Ca 0.18 -0.26 0.01 0.00 3.53 0.00 0.00 57.97 61.43 1iq6 h PHE 25 Cb 0.41 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 1iq6 h PHE 25 CO 0.03 1.01 0.35 0.00 -2.23 0.00 0.00 178.31 177.46 1iq6 h ALA 26 N 0.95 0.69 -0.70 2.41 0.00 -0.70 0.34 119.26 122.24 1iq6 h ALA 26 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1iq6 h ALA 26 Cb 0.95 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1iq6 h ALA 26 CO 0.09 0.10 0.28 0.00 0.00 0.00 0.00 179.25 179.71 1iq6 h ALA 27 N 1.21 0.91 -0.23 0.00 0.00 -1.12 0.28 119.26 120.31 1iq6 h ALA 27 Ca 0.20 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1iq6 h ALA 27 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1iq6 h ALA 27 CO -0.06 0.54 -0.40 -0.07 0.00 0.00 0.00 179.25 179.26 1iq6 h LEU 28 N 1.00 0.75 0.00 0.00 3.38 -1.03 -3.29 115.31 116.13 1iq6 h LEU 28 Ca 0.23 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1iq6 h LEU 28 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iq6 h LEU 28 CO -0.02 1.14 -0.40 0.77 0.09 0.00 0.00 178.44 180.02 1iq6 h SER 29 N 0.39 0.00 -0.08 -0.43 4.64 -0.90 -3.47 113.55 113.70 1iq6 h SER 29 Ca 0.02 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1iq6 h SER 29 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1iq6 h SER 29 CO 0.09 0.01 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.41 1iq6 n GLU 30 N -2.75 -0.52 -3.19 4.77 -0.58 0.97 -4.98 120.64 114.36 1iq6 n GLU 30 Ca 0.03 0.31 -0.46 0.00 -0.42 0.00 0.00 57.16 56.62 1iq6 n GLU 30 Cb 0.51 -3.83 -0.03 0.00 -0.57 0.00 0.00 31.44 27.52 1iq6 n GLU 30 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1iq6 s ASP 31 N -2.28 6.56 -0.48 1.62 -1.08 -1.02 -4.87 116.67 115.12 1iq6 s ASP 31 Ca 0.00 -2.19 0.03 0.00 -0.52 0.00 0.00 52.55 49.87 1iq6 s ASP 31 Cb 0.00 -2.27 0.60 0.00 -1.46 0.00 0.00 42.92 39.79 1iq6 s ASP 31 CO 0.00 -0.83 1.89 0.49 0.52 0.00 0.00 175.17 177.24 1iq6 n PHE 32 N 5.18 2.91 -1.67 -5.34 3.01 -1.26 -4.51 117.46 115.78 1iq6 n PHE 32 Ca 0.09 -2.11 -0.50 0.00 1.01 0.00 0.00 57.45 55.93 1iq6 n PHE 32 Cb 0.46 -1.01 -0.05 0.00 -0.01 0.00 0.00 39.48 38.87 1iq6 n PHE 32 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1iq6 n ASN 33 N -1.08 2.91 0.23 4.37 2.85 -1.26 -4.80 115.26 118.47 1iq6 n ASN 33 Ca 0.58 1.04 0.12 0.00 -0.11 0.00 0.00 54.58 56.21 1iq6 n ASN 33 Cb 1.36 -1.31 0.65 0.00 1.24 0.00 0.00 39.78 41.72 1iq6 n ASN 33 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1iq6 h PRO 34 N 7.47 0.00 0.00 1.20 0.13 -1.96 -0.94 132.00 137.90 1iq6 h PRO 34 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1iq6 h PRO 34 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1iq6 h PRO 34 CO 0.92 0.00 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.58 1iq6 h LEU 35 N 0.00 0.00 -1.09 1.56 4.07 -1.88 -1.52 115.31 116.46 1iq6 h LEU 35 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1iq6 h LEU 35 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1iq6 h LEU 35 CO 0.00 0.04 -0.40 1.41 -1.08 0.00 0.00 178.44 178.41 1iq6 n HIS 36 N -3.75 0.00 0.00 1.13 8.25 -0.36 -1.86 115.22 118.63 1iq6 n HIS 36 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1iq6 n HIS 36 Cb 0.13 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1iq6 n HIS 36 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1iq6 n LEU 37 N 0.12 0.71 -4.56 2.41 4.77 -0.87 -4.56 117.00 115.02 1iq6 n LEU 37 Ca 0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1iq6 n LEU 37 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1iq6 n LEU 37 CO 0.26 0.11 0.39 -0.62 -1.33 0.00 0.00 177.39 176.20 1iq6 s ASP 38 N -3.30 6.41 0.32 -1.43 3.68 -0.63 -4.95 116.67 116.78 1iq6 s ASP 38 Ca 0.00 0.06 0.04 0.00 2.13 0.00 0.00 52.55 54.78 1iq6 s ASP 38 Cb 0.00 -2.33 0.56 0.00 -1.45 0.00 0.00 42.92 39.70 1iq6 s ASP 38 CO 0.00 -0.64 1.83 1.55 0.13 0.00 0.00 175.17 178.04 1iq6 h PRO 39 N 8.55 0.49 -0.23 4.34 0.13 -1.96 0.12 132.00 143.43 1iq6 h PRO 39 Ca -0.26 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1iq6 h PRO 39 Cb 1.11 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1iq6 h PRO 39 CO 0.85 0.58 0.04 0.00 -0.23 0.00 0.00 178.00 179.24 1iq6 h ALA 40 N 1.45 0.31 -0.28 -0.56 0.00 -1.93 -0.39 119.26 117.87 1iq6 h ALA 40 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1iq6 h ALA 40 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1iq6 h ALA 40 CO 0.02 -0.01 -0.01 0.35 0.00 0.00 0.00 179.25 179.60 1iq6 h PHE 41 N 0.19 0.54 -0.72 0.00 3.57 -1.85 -2.96 116.94 115.71 1iq6 h PHE 41 Ca 0.07 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1iq6 h PHE 41 Cb 0.33 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1iq6 h PHE 41 CO 0.02 0.65 0.48 0.00 -2.23 0.00 0.00 178.31 177.23 1iq6 h ALA 42 N 0.82 1.61 0.00 2.41 0.00 -0.70 -1.74 119.26 121.66 1iq6 h ALA 42 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iq6 h ALA 42 Cb 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1iq6 h ALA 42 CO 0.02 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.57 1iq6 h ALA 43 N 1.59 1.72 -0.00 0.00 0.00 -0.82 -0.56 119.26 121.19 1iq6 h ALA 43 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1iq6 h ALA 43 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iq6 h ALA 43 CO -0.09 0.00 -0.07 0.25 0.00 0.00 0.00 179.25 179.35 1iq6 n THR 44 N -4.13 0.00 -3.64 0.00 -2.24 -0.66 -4.60 114.28 99.02 1iq6 n THR 44 Ca -0.03 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 1iq6 n THR 44 Cb 0.09 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 1iq6 n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iq6 s THR 45 N -2.59 3.74 0.41 4.28 -4.23 -0.24 -4.99 115.64 112.03 1iq6 s THR 45 Ca 0.27 -1.20 0.39 0.00 -1.18 0.00 0.00 61.69 59.97 1iq6 s THR 45 Cb 0.20 -3.28 0.40 0.00 1.34 0.00 0.00 72.50 71.16 1iq6 s THR 45 CO 0.48 -0.16 2.19 0.00 -0.54 0.00 0.00 174.62 176.59 1iq6 h ALA 46 N 1.07 1.00 0.00 3.99 0.00 -1.88 -0.92 119.26 122.52 1iq6 h ALA 46 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1iq6 h ALA 46 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1iq6 h ALA 46 CO 0.56 0.00 -0.33 0.74 0.00 0.00 0.00 179.25 180.22 1iq6 h PHE 47 N 0.00 0.00 0.00 0.00 -1.00 -1.94 -3.47 116.94 110.54 1iq6 h PHE 47 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1iq6 h PHE 47 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1iq6 h PHE 47 CO 0.00 0.33 0.00 0.39 -1.61 0.00 0.00 178.31 177.42 1iq6 n GLU 48 N -3.27 0.00 -4.00 1.51 1.02 -0.35 -4.84 120.64 110.71 1iq6 n GLU 48 Ca 0.02 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1iq6 n GLU 48 Cb 0.59 -1.38 -0.09 0.00 -0.02 0.00 0.00 31.44 30.54 1iq6 n GLU 48 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1iq6 s ARG 49 N 0.00 0.77 0.26 3.49 1.70 -1.25 -2.63 118.95 121.29 1iq6 s ARG 49 Ca 0.00 -1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.82 1iq6 s ARG 49 Cb 0.00 0.28 -0.14 0.00 -0.57 0.00 0.00 34.95 34.52 1iq6 s ARG 49 CO 0.00 -0.21 1.28 -2.30 -1.08 0.00 0.00 175.30 172.99 1iq6 n PRO 50 N 0.00 1.80 -4.40 3.89 -0.02 -1.26 -4.91 135.00 130.11 1iq6 n PRO 50 Ca -0.13 0.64 -0.27 0.00 -2.02 0.00 0.00 63.50 61.72 1iq6 n PRO 50 Cb 0.62 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1iq6 n PRO 50 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1iq6 s ILE 51 N -0.43 2.48 0.28 4.25 -4.36 -0.78 -2.45 121.20 120.19 1iq6 s ILE 51 Ca 0.65 -1.94 -0.29 0.00 -0.26 0.00 0.00 60.65 58.80 1iq6 s ILE 51 Cb -0.67 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 40.75 1iq6 s ILE 51 CO 0.54 -0.09 1.08 -0.69 0.24 0.00 0.00 174.94 176.02 1iq6 s VAL 52 N -1.62 3.56 0.20 8.37 1.01 0.69 -4.15 120.40 128.46 1iq6 s VAL 52 Ca 0.21 1.54 -0.33 0.00 0.00 0.00 0.00 61.98 63.41 1iq6 s VAL 52 Cb -0.08 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 1iq6 s VAL 52 CO 0.10 0.35 1.53 1.41 0.00 0.00 0.00 175.10 178.49 1iq6 n HIS 53 N 1.13 2.32 -0.14 5.22 -0.00 -1.26 -4.69 115.22 117.80 1iq6 n HIS 53 Ca -0.01 0.31 0.03 0.00 -0.00 0.00 0.00 57.72 58.05 1iq6 n HIS 53 Cb 0.45 -2.53 0.32 0.00 -0.00 0.00 0.00 29.99 28.24 1iq6 n HIS 53 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1iq6 h GLY 54 N 5.30 0.88 2.00 -1.41 0.00 -1.98 -0.63 103.07 107.23 1iq6 h GLY 54 Ca -0.45 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1iq6 h GLY 54 CO 0.84 0.30 0.00 -0.33 0.00 0.00 0.00 176.54 177.35 1iq6 h MET 55 N 0.82 0.00 0.16 4.80 2.86 -1.99 -0.65 114.93 120.93 1iq6 h MET 55 Ca 0.24 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.66 1iq6 h MET 55 Cb -0.02 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.66 1iq6 h MET 55 CO -0.06 0.00 -0.97 1.25 1.06 0.00 0.00 176.91 178.19 1iq6 h LEU 56 N 0.00 0.58 -0.41 1.22 5.85 -1.50 -2.81 115.31 118.24 1iq6 h LEU 56 Ca 0.00 -0.93 0.03 0.00 0.84 0.00 0.00 57.88 57.83 1iq6 h LEU 56 Cb 0.50 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1iq6 h LEU 56 CO 0.00 1.46 0.21 -0.07 -0.34 0.00 0.00 178.44 179.70 1iq6 h LEU 57 N -0.20 0.30 -2.06 2.25 3.38 -0.96 -2.02 115.31 115.99 1iq6 h LEU 57 Ca -0.17 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1iq6 h LEU 57 Cb 1.75 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1iq6 h LEU 57 CO 0.18 0.22 -0.09 0.00 0.09 0.00 0.00 178.44 178.84 1iq6 h ALA 58 N 1.22 1.40 0.00 1.53 0.00 -1.20 -2.39 119.26 119.82 1iq6 h ALA 58 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1iq6 h ALA 58 Cb 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1iq6 h ALA 58 CO -0.12 0.11 -0.03 0.77 0.00 0.00 0.00 179.25 179.98 1iq6 h SER 59 N 0.00 0.00 0.28 0.00 0.02 -1.09 -2.19 113.55 110.58 1iq6 h SER 59 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1iq6 h SER 59 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1iq6 h SER 59 CO 0.01 0.03 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.56 1iq6 h LEU 60 N 0.00 0.00 -1.01 5.07 3.38 -1.51 -1.82 115.31 119.42 1iq6 h LEU 60 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1iq6 h LEU 60 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1iq6 h LEU 60 CO 0.00 0.10 0.23 -0.26 0.09 0.00 0.00 178.44 178.60 1iq6 h PHE 61 N 0.00 0.95 -0.97 1.13 0.05 -1.60 -1.93 116.94 114.58 1iq6 h PHE 61 Ca -0.00 -0.07 0.03 0.00 3.82 0.00 0.00 57.97 61.75 1iq6 h PHE 61 Cb 0.27 -0.29 -0.05 0.00 2.00 0.00 0.00 35.95 37.87 1iq6 h PHE 61 CO 0.00 0.75 0.64 1.03 -0.18 0.00 0.00 178.31 180.55 1iq6 h SER 62 N 0.92 1.07 -0.23 2.17 0.87 -1.50 0.14 113.55 116.99 1iq6 h SER 62 Ca 0.21 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1iq6 h SER 62 Cb 0.21 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1iq6 h SER 62 CO -0.01 0.75 0.06 1.23 -0.53 0.00 0.00 176.83 178.32 1iq6 h GLY 63 N 1.25 0.40 0.89 5.77 0.00 -1.38 -0.79 103.07 109.21 1iq6 h GLY 63 Ca 0.38 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 1iq6 h GLY 63 CO -0.11 0.23 -0.02 1.41 0.00 0.00 0.00 176.54 178.05 1iq6 h LEU 64 N 0.20 0.56 -0.71 3.11 3.38 -0.93 -0.46 115.31 120.46 1iq6 h LEU 64 Ca 0.07 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1iq6 h LEU 64 Cb 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1iq6 h LEU 64 CO 0.00 0.75 0.24 -0.07 0.09 0.00 0.00 178.44 179.45 1iq6 h LEU 65 N 0.36 1.02 0.00 1.67 3.38 -0.72 0.06 115.31 121.07 1iq6 h LEU 65 Ca 0.09 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1iq6 h LEU 65 Cb 0.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1iq6 h LEU 65 CO 0.02 0.95 -0.94 1.23 0.09 0.00 0.00 178.44 179.78 1iq6 h GLY 66 N 1.03 0.00 0.00 0.83 0.00 -1.14 0.11 103.07 103.91 1iq6 h GLY 66 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.21 1iq6 h GLY 66 CO -0.01 0.00 -2.32 -1.06 0.00 0.00 0.00 176.54 173.15 1iq6 n GLN 67 N -2.92 0.87 0.02 4.80 1.13 -0.19 -1.52 117.38 119.57 1iq6 n GLN 67 Ca -0.03 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1iq6 n GLN 67 Cb 0.70 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.56 1iq6 n GLN 67 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1iq6 n GLN 68 N -2.71 0.00 -3.60 -1.09 6.02 -0.27 -4.45 117.38 111.27 1iq6 n GLN 68 Ca -0.31 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.53 1iq6 n GLN 68 Cb 1.12 -0.40 -0.13 0.00 1.02 0.00 0.00 30.24 31.85 1iq6 n GLN 68 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1iq6 s LEU 69 N -6.19 -0.22 0.55 1.08 2.96 -0.15 -3.58 118.68 113.12 1iq6 s LEU 69 Ca 0.00 0.31 0.27 0.00 -0.22 0.00 0.00 54.13 54.49 1iq6 s LEU 69 Cb 0.00 0.56 1.57 0.00 0.50 0.00 0.00 46.19 48.82 1iq6 s LEU 69 CO 0.00 -0.27 2.15 -0.65 -1.32 0.00 0.00 176.35 176.26 1iq6 h PRO 70 N 8.30 0.00 0.00 0.98 0.11 -1.79 -3.31 132.00 136.30 1iq6 h PRO 70 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1iq6 h PRO 70 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1iq6 h PRO 70 CO 0.18 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1iq6 n GLY 71 N -1.03 -1.28 3.65 -0.55 0.00 0.39 -4.95 105.19 101.42 1iq6 n GLY 71 Ca -0.02 -2.10 -0.63 0.00 0.00 0.00 0.00 46.02 43.26 1iq6 n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1iq6 n LYS 72 N 0.00 0.12 0.00 1.61 4.81 -0.58 -1.27 118.16 122.85 1iq6 n LYS 72 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1iq6 n LYS 72 Cb 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1iq6 n LYS 72 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iq6 n GLY 73 N 3.03 1.96 3.75 3.14 0.00 -1.26 -4.57 105.19 111.24 1iq6 n GLY 73 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1iq6 n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iq6 n SER 74 N 0.00 3.17 -4.15 1.61 7.64 -0.40 -4.27 113.62 117.21 1iq6 n SER 74 Ca 0.00 1.11 -0.31 0.00 1.01 0.00 0.00 58.87 60.68 1iq6 n SER 74 Cb 0.00 -1.58 -0.17 0.00 -1.01 0.00 0.00 64.21 61.45 1iq6 n SER 74 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1iq6 s ILE 75 N -1.20 1.90 0.03 0.44 1.01 -0.56 -4.92 121.20 117.91 1iq6 s ILE 75 Ca 0.61 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 1iq6 s ILE 75 Cb -0.46 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.27 1iq6 s ILE 75 CO 0.57 0.52 1.49 -0.47 0.00 0.00 0.00 174.94 177.06 1iq6 s TYR 76 N 0.70 2.72 -0.11 3.97 6.04 -1.26 0.04 117.35 129.44 1iq6 s TYR 76 Ca -0.11 0.65 0.06 0.00 0.04 0.00 0.00 57.07 57.71 1iq6 s TYR 76 Cb -0.16 -3.77 -0.11 0.00 -1.04 0.00 0.00 41.96 36.87 1iq6 s TYR 76 CO 0.02 -2.96 -0.02 1.28 -1.54 0.00 0.00 175.55 172.33 1iq6 n LEU 77 N 5.39 1.11 -3.52 6.97 4.77 0.21 -4.89 117.00 127.03 1iq6 n LEU 77 Ca 0.14 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.99 1iq6 n LEU 77 Cb 0.42 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1iq6 n LEU 77 CO 0.60 0.43 0.66 -0.83 -1.33 0.00 0.00 177.39 176.92 1iq6 s GLY 78 N -4.66 -0.44 -0.19 -0.72 0.00 -0.68 -4.96 107.32 95.67 1iq6 s GLY 78 Ca -0.10 1.25 -0.08 0.00 0.00 0.00 0.00 44.72 45.79 1iq6 s GLY 78 CO 0.38 0.55 0.43 1.62 0.00 0.00 0.00 173.10 176.08 1iq6 s GLN 79 N -2.50 0.37 -0.05 2.90 2.00 -1.26 -0.73 119.66 120.39 1iq6 s GLN 79 Ca 0.02 0.93 -0.01 0.00 -2.00 0.00 0.00 55.36 54.29 1iq6 s GLN 79 Cb -0.01 0.16 -0.04 0.00 0.80 0.00 0.00 33.01 33.93 1iq6 s GLN 79 CO -0.05 -0.20 0.03 -1.54 -0.50 0.00 0.00 175.29 173.03 1iq6 s SER 80 N 2.02 5.41 -0.01 6.67 1.04 -0.11 -4.97 113.70 123.75 1iq6 s SER 80 Ca -0.06 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.52 1iq6 s SER 80 Cb -0.10 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.50 1iq6 s SER 80 CO -0.13 0.34 -0.01 -0.76 0.98 0.00 0.00 173.24 173.66 1iq6 s LEU 81 N -1.24 1.57 -0.09 2.42 1.43 -1.26 -2.86 118.68 118.65 1iq6 s LEU 81 Ca 0.17 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1iq6 s LEU 81 Cb -0.12 -0.16 0.02 0.00 0.03 0.00 0.00 46.19 45.97 1iq6 s LEU 81 CO 0.07 -0.04 -0.09 -0.44 0.23 0.00 0.00 176.35 176.08 1iq6 s SER 82 N 0.50 1.89 -0.29 2.29 0.01 0.03 -4.99 113.70 113.13 1iq6 s SER 82 Ca -0.05 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 56.80 1iq6 s SER 82 Cb -0.07 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.34 1iq6 s SER 82 CO -0.01 -0.06 0.30 -0.36 0.41 0.00 0.00 173.24 173.52 1iq6 s PHE 83 N 1.26 3.23 -0.16 2.43 0.40 -1.26 -1.66 117.98 122.22 1iq6 s PHE 83 Ca -0.04 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 1iq6 s PHE 83 Cb -0.14 -2.52 -0.11 0.00 0.51 0.00 0.00 43.02 40.76 1iq6 s PHE 83 CO -0.03 -0.26 -0.12 1.63 0.70 0.00 0.00 175.22 177.14 1iq6 n LYS 84 N 5.23 0.59 -4.05 0.44 4.76 0.62 -5.01 118.16 120.74 1iq6 n LYS 84 Ca -0.11 0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.32 1iq6 n LYS 84 Cb 0.51 -1.32 -0.11 0.00 -1.84 0.00 0.00 35.03 32.27 1iq6 n LYS 84 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1iq6 s LEU 85 N -5.83 2.34 0.43 -0.35 1.43 -1.12 -4.99 118.68 110.61 1iq6 s LEU 85 Ca -0.20 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1iq6 s LEU 85 Cb 0.05 0.05 -0.08 0.00 0.03 0.00 0.00 46.19 46.24 1iq6 s LEU 85 CO 0.39 -0.38 0.87 -2.16 0.23 0.00 0.00 176.35 175.30 1iq6 s PRO 86 N -2.44 3.94 -0.16 1.29 0.04 -1.26 -4.67 135.00 131.73 1iq6 s PRO 86 Ca -0.05 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1iq6 s PRO 86 Cb -0.03 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1iq6 s PRO 86 CO -0.04 -0.09 -0.17 0.08 0.04 0.00 0.00 177.00 176.83 1iq6 s VAL 87 N -2.38 2.48 0.23 -0.36 1.01 -1.26 -5.01 120.40 115.12 1iq6 s VAL 87 Ca 0.56 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 1iq6 s VAL 87 Cb -0.10 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 1iq6 s VAL 87 CO 0.27 0.52 0.82 -0.36 0.00 0.00 0.00 175.10 176.34 1iq6 s PHE 88 N 0.96 3.78 0.15 5.22 0.08 -1.26 -0.22 117.98 126.69 1iq6 s PHE 88 Ca -0.03 1.62 -0.34 0.00 0.12 0.00 0.00 56.93 58.30 1iq6 s PHE 88 Cb -0.15 -2.78 -0.14 0.00 -0.57 0.00 0.00 43.02 39.38 1iq6 s PHE 88 CO -0.03 0.38 1.54 0.28 -0.10 0.00 0.00 175.22 177.28 1iq6 n VAL 89 N 1.04 0.02 0.00 -0.44 0.31 -1.02 -1.40 118.33 116.84 1iq6 n VAL 89 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1iq6 n VAL 89 Cb 0.50 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1iq6 n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iq6 n GLY 90 N 3.26 3.45 3.85 2.92 0.00 0.14 -4.93 105.19 113.87 1iq6 n GLY 90 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1iq6 n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iq6 s ASP 91 N -0.94 6.62 0.33 1.61 -0.00 -0.49 -4.75 116.67 119.05 1iq6 s ASP 91 Ca 0.00 1.49 -0.11 0.00 -0.00 0.00 0.00 52.55 53.92 1iq6 s ASP 91 Cb 0.00 -2.47 -0.07 0.00 -0.00 0.00 0.00 42.92 40.37 1iq6 s ASP 91 CO 0.00 -0.53 0.69 -0.70 -0.00 0.00 0.00 175.17 174.63 1iq6 s GLU 92 N -3.96 3.85 0.15 8.23 2.12 -1.26 -3.75 118.70 124.09 1iq6 s GLU 92 Ca 0.57 0.46 0.02 0.00 0.36 0.00 0.00 54.97 56.39 1iq6 s GLU 92 Cb -0.10 -2.48 -0.05 0.00 0.26 0.00 0.00 34.13 31.76 1iq6 s GLU 92 CO 0.30 0.13 -0.03 0.14 -0.54 0.00 0.00 175.26 175.26 1iq6 s VAL 93 N -2.09 0.77 -0.10 3.70 -7.23 -0.34 -2.07 120.40 113.03 1iq6 s VAL 93 Ca 0.51 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1iq6 s VAL 93 Cb -0.10 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1iq6 s VAL 93 CO 0.24 -0.60 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.39 1iq6 s THR 94 N -3.59 1.41 -0.15 5.32 2.01 -0.52 -1.51 115.64 118.59 1iq6 s THR 94 Ca 0.20 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1iq6 s THR 94 Cb 0.05 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1iq6 s THR 94 CO 0.02 0.42 0.13 0.00 -0.69 0.00 0.00 174.62 174.50 1iq6 s ALA 95 N 1.03 3.77 -0.02 7.40 0.00 0.40 -0.64 121.76 133.69 1iq6 s ALA 95 Ca -0.06 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1iq6 s ALA 95 Cb -0.15 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.96 1iq6 s ALA 95 CO -0.02 0.42 -0.03 -1.21 0.00 0.00 0.00 175.76 174.92 1iq6 s GLU 96 N -0.43 0.52 0.08 0.00 2.02 0.62 -1.70 118.70 119.81 1iq6 s GLU 96 Ca 0.12 -0.08 0.07 0.00 0.02 0.00 0.00 54.97 55.09 1iq6 s GLU 96 Cb -0.12 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.51 1iq6 s GLU 96 CO 0.01 -0.02 -0.18 0.14 0.02 0.00 0.00 175.26 175.23 1iq6 s VAL 97 N 0.55 1.45 -0.11 2.63 -7.23 -0.34 -0.79 120.40 116.55 1iq6 s VAL 97 Ca -0.06 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 58.67 1iq6 s VAL 97 Cb -0.10 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.55 1iq6 s VAL 97 CO -0.00 -0.07 0.27 -0.70 -0.31 0.00 0.00 175.10 174.29 1iq6 s GLU 98 N -1.69 0.26 0.01 4.82 2.12 -0.76 -1.51 118.70 121.95 1iq6 s GLU 98 Ca 0.03 0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 1iq6 s GLU 98 Cb -0.10 -0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.20 1iq6 s GLU 98 CO 0.03 -0.13 1.39 0.08 -0.54 0.00 0.00 175.26 176.09 1iq6 s VAL 99 N 1.00 3.71 -0.06 3.70 1.01 -0.12 -1.11 120.40 128.53 1iq6 s VAL 99 Ca -0.07 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.08 1iq6 s VAL 99 Cb -0.08 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 1iq6 s VAL 99 CO -0.07 0.00 0.18 0.35 0.00 0.00 0.00 175.10 175.57 1iq6 n THR 100 N 4.60 0.00 -3.58 3.92 -2.24 0.06 -0.52 114.28 116.52 1iq6 n THR 100 Ca 0.13 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 1iq6 n THR 100 Cb 0.44 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 1iq6 n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iq6 s ALA 101 N -2.37 -1.77 -0.22 6.98 0.00 -1.10 -4.92 121.76 118.37 1iq6 s ALA 101 Ca -0.02 1.70 -0.02 0.00 0.00 0.00 0.00 51.96 53.63 1iq6 s ALA 101 Cb 0.05 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.59 1iq6 s ALA 101 CO 0.30 -0.35 0.01 -0.51 0.00 0.00 0.00 175.76 175.21 1iq6 s LEU 102 N -0.33 1.71 0.57 0.00 1.43 -1.26 -1.07 118.68 119.73 1iq6 s LEU 102 Ca -0.05 -1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 51.86 1iq6 s LEU 102 Cb -0.03 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1iq6 s LEU 102 CO 0.05 -0.29 1.15 -0.13 0.23 0.00 0.00 176.35 177.36 1iq6 s ARG 103 N 1.69 3.16 0.00 1.70 0.52 -0.55 -4.97 118.95 120.50 1iq6 s ARG 103 Ca -0.02 1.66 0.10 0.00 -0.52 0.00 0.00 55.73 56.96 1iq6 s ARG 103 Cb -0.18 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.35 1iq6 s ARG 103 CO -0.09 -1.02 0.72 0.39 0.02 0.00 0.00 175.30 175.32 1iq6 n GLU 104 N -1.52 1.39 0.04 3.54 1.02 -1.26 -4.39 120.64 119.46 1iq6 n GLU 104 Ca 0.12 -0.83 0.02 0.00 -0.02 0.00 0.00 57.16 56.45 1iq6 n GLU 104 Cb 0.51 -1.13 -0.08 0.00 -0.02 0.00 0.00 31.44 30.72 1iq6 n GLU 104 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1iq6 n ASP 105 N 0.11 0.81 -3.72 1.62 5.75 -1.26 -4.93 116.55 114.93 1iq6 n ASP 105 Ca 0.05 0.35 -0.14 0.00 -0.01 0.00 0.00 54.79 55.04 1iq6 n ASP 105 Cb 0.23 0.28 -0.08 0.00 -1.03 0.00 0.00 41.12 40.52 1iq6 n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1iq6 s LYS 106 N -2.99 0.76 -1.10 0.11 1.02 -1.26 -5.07 119.74 111.21 1iq6 s LYS 106 Ca -0.03 -0.20 -0.19 0.00 0.02 0.00 0.00 55.97 55.57 1iq6 s LYS 106 Cb 0.09 0.34 -0.06 0.00 -0.52 0.00 0.00 37.83 37.67 1iq6 s LYS 106 CO 0.81 -0.22 2.00 -0.35 -0.92 0.00 0.00 175.35 176.66 1iq6 n PRO 107 N 1.06 2.11 -4.67 -1.68 -0.04 -1.26 -4.38 135.00 126.14 1iq6 n PRO 107 Ca -0.21 -2.32 -0.24 0.00 -0.04 0.00 0.00 63.50 60.69 1iq6 n PRO 107 Cb 0.57 -3.21 -0.14 0.00 -0.04 0.00 0.00 33.50 30.67 1iq6 n PRO 107 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iq6 s ILE 108 N 5.25 1.44 0.07 0.52 1.01 -1.26 -0.54 121.20 127.69 1iq6 s ILE 108 Ca 0.56 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 60.31 1iq6 s ILE 108 Cb 0.11 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1iq6 s ILE 108 CO 0.05 0.24 -0.19 0.00 0.00 0.00 0.00 174.94 175.05 1iq6 s ALA 109 N -0.64 1.59 -0.06 9.38 0.00 -0.04 -1.49 121.76 130.50 1iq6 s ALA 109 Ca 0.06 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1iq6 s ALA 109 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1iq6 s ALA 109 CO 0.01 0.32 -0.17 0.99 0.00 0.00 0.00 175.76 176.90 1iq6 s THR 110 N -1.05 2.78 0.01 0.00 2.01 -0.23 -1.05 115.64 118.10 1iq6 s THR 110 Ca 0.05 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1iq6 s THR 110 Cb -0.09 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 1iq6 s THR 110 CO 0.03 0.57 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.70 1iq6 s LEU 111 N -0.41 2.09 0.04 4.42 1.02 -0.05 -0.76 118.68 125.03 1iq6 s LEU 111 Ca 0.04 -0.25 -0.26 0.00 0.02 0.00 0.00 54.13 53.68 1iq6 s LEU 111 Cb -0.12 -0.27 -0.05 0.00 0.02 0.00 0.00 46.19 45.77 1iq6 s LEU 111 CO 0.02 -0.01 0.80 -0.89 0.02 0.00 0.00 176.35 176.29 1iq6 s THR 112 N -0.54 4.75 -0.16 5.49 2.01 -0.26 -0.55 115.64 126.38 1iq6 s THR 112 Ca -0.01 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.70 1iq6 s THR 112 Cb -0.05 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1iq6 s THR 112 CO 0.00 0.33 -0.17 0.42 -0.69 0.00 0.00 174.62 174.50 1iq6 s THR 113 N 0.14 1.82 0.04 -0.82 -4.23 -0.21 -1.83 115.64 110.55 1iq6 s THR 113 Ca 0.41 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 1iq6 s THR 113 Cb -0.21 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 1iq6 s THR 113 CO 0.24 0.50 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.58 1iq6 s ARG 114 N 1.33 0.71 -0.13 3.99 0.52 0.03 -1.57 118.95 123.83 1iq6 s ARG 114 Ca 0.04 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1iq6 s ARG 114 Cb -0.13 -0.65 0.01 0.00 0.52 0.00 0.00 34.95 34.70 1iq6 s ARG 114 CO -0.11 0.15 -0.22 0.42 0.02 0.00 0.00 175.30 175.56 1iq6 s ILE 115 N -0.92 2.09 -0.01 1.52 -1.09 0.17 -0.27 121.20 122.68 1iq6 s ILE 115 Ca -0.02 -0.98 0.03 0.00 -2.23 0.00 0.00 60.65 57.45 1iq6 s ILE 115 Cb -0.08 -1.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.95 1iq6 s ILE 115 CO 0.01 0.55 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.82 1iq6 s PHE 116 N 0.68 2.83 1.05 3.97 0.40 0.19 -0.33 117.98 126.76 1iq6 s PHE 116 Ca -0.10 -0.07 -0.15 0.00 -0.60 0.00 0.00 56.93 56.00 1iq6 s PHE 116 Cb -0.16 -1.61 0.21 0.00 0.51 0.00 0.00 43.02 41.98 1iq6 s PHE 116 CO 0.01 0.33 1.14 0.95 0.70 0.00 0.00 175.22 178.35 1iq6 s THR 117 N -0.93 1.86 0.47 0.64 -4.23 0.75 -1.44 115.64 112.75 1iq6 s THR 117 Ca 0.16 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.80 1iq6 s THR 117 Cb -0.11 -2.62 0.24 0.00 1.34 0.00 0.00 72.50 71.36 1iq6 s THR 117 CO 0.06 0.00 2.08 -0.61 -0.54 0.00 0.00 174.62 175.61 1iq6 h GLN 118 N -2.02 0.14 -0.03 3.99 4.15 -1.75 -1.11 115.11 118.47 1iq6 h GLN 118 Ca -0.49 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1iq6 h GLN 118 Cb 1.31 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1iq6 h GLN 118 CO 0.48 0.14 0.00 0.41 -1.93 0.00 0.00 178.83 177.94 1iq6 n GLY 119 N -1.38 -0.57 1.46 2.39 0.00 -1.26 -4.91 105.19 100.92 1iq6 n GLY 119 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1iq6 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iq6 n GLY 120 N 1.00 0.56 3.78 -0.02 0.00 -0.42 -5.07 105.19 105.02 1iq6 n GLY 120 Ca 0.19 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1iq6 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq6 s ALA 121 N -2.00 3.58 -0.12 4.61 0.00 -1.26 -4.82 121.76 121.75 1iq6 s ALA 121 Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1iq6 s ALA 121 Cb 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1iq6 s ALA 121 CO 0.00 0.72 1.56 -1.17 0.00 0.00 0.00 175.76 176.87 1iq6 s LEU 122 N -2.02 4.18 -0.22 0.00 2.96 -1.26 -0.18 118.68 122.14 1iq6 s LEU 122 Ca 0.26 1.95 0.06 0.00 -0.22 0.00 0.00 54.13 56.18 1iq6 s LEU 122 Cb -0.12 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.86 1iq6 s LEU 122 CO 0.18 -0.98 -0.13 0.00 -1.32 0.00 0.00 176.35 174.10 1iq6 n ALA 123 N 7.38 1.51 -3.15 5.97 0.00 0.55 -3.87 120.51 128.90 1iq6 n ALA 123 Ca 0.17 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1iq6 n ALA 123 Cb 0.44 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 1iq6 n ALA 123 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iq6 s VAL 124 N -2.46 -0.01 0.05 0.00 1.01 -1.05 -0.27 120.40 117.66 1iq6 s VAL 124 Ca -0.25 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1iq6 s VAL 124 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 1iq6 s VAL 124 CO 0.60 0.02 0.08 0.28 0.00 0.00 0.00 175.10 176.07 1iq6 s THR 125 N 0.30 0.15 -3.14 3.92 -1.32 -0.66 -0.65 115.64 114.23 1iq6 s THR 125 Ca -0.02 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1iq6 s THR 125 Cb -0.03 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1iq6 s THR 125 CO -0.01 -0.68 0.00 0.61 -2.21 0.00 0.00 174.62 172.33 1iq6 n GLY 126 N 0.58 -0.74 2.92 6.08 0.00 -0.61 -0.79 105.19 112.63 1iq6 n GLY 126 Ca -0.18 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1iq6 n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iq6 s GLU 127 N -1.25 0.19 0.04 1.61 2.02 -1.13 -1.04 118.70 119.13 1iq6 s GLU 127 Ca 0.00 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 54.85 1iq6 s GLU 127 Cb 0.00 -0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.08 1iq6 s GLU 127 CO 0.00 0.03 -0.06 0.00 0.02 0.00 0.00 175.26 175.25 1iq6 s ALA 128 N -0.33 3.08 -0.13 5.21 0.00 0.29 -0.93 121.76 128.94 1iq6 s ALA 128 Ca -0.02 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1iq6 s ALA 128 Cb -0.03 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1iq6 s ALA 128 CO -0.00 0.64 -0.17 0.08 0.00 0.00 0.00 175.76 176.31 1iq6 s VAL 129 N -1.11 1.71 0.03 0.00 1.01 0.09 -0.87 120.40 121.25 1iq6 s VAL 129 Ca 0.20 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1iq6 s VAL 129 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1iq6 s VAL 129 CO 0.11 0.48 -0.07 0.68 0.00 0.00 0.00 175.10 176.30 1iq6 s VAL 130 N 1.10 0.53 -0.01 2.92 -7.23 -0.22 -0.62 120.40 116.86 1iq6 s VAL 130 Ca -0.03 -0.81 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 1iq6 s VAL 130 Cb -0.14 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1iq6 s VAL 130 CO -0.05 -0.21 0.83 -0.75 -0.31 0.00 0.00 175.10 174.61 1iq6 s LYS 131 N -1.10 4.51 0.60 4.82 2.20 0.11 -0.86 119.74 130.01 1iq6 s LYS 131 Ca -0.06 1.15 -0.18 0.00 -0.36 0.00 0.00 55.97 56.52 1iq6 s LYS 131 Cb -0.07 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1iq6 s LYS 131 CO 0.00 0.06 1.19 -0.51 -0.36 0.00 0.00 175.35 175.73 1iq6 s LEU 132 N 0.72 3.64 0.00 5.43 1.43 0.30 -1.49 118.68 128.71 1iq6 s LEU 132 Ca 0.44 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 1iq6 s LEU 132 Cb -0.20 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.43 1iq6 s LEU 132 CO 0.23 -1.57 0.20 -2.65 0.23 0.00 0.00 176.35 172.79