#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix0 s TYR 3 N -2.47 2.54 -0.04 0.00 -0.85 -0.54 -4.99 117.35 111.01 3ix0 s TYR 3 Ca 0.10 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 3ix0 s TYR 3 Cb -0.03 -1.23 0.02 0.00 0.38 0.00 0.00 41.96 41.10 3ix0 s TYR 3 CO 0.02 0.52 -0.02 -0.06 -1.52 0.00 0.00 175.55 174.49 3ix0 s PHE 4 N -1.75 0.54 -0.36 -3.49 0.08 -1.26 -2.27 117.98 109.46 3ix0 s PHE 4 Ca 0.24 -0.11 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 3ix0 s PHE 4 Cb -0.08 -0.56 0.09 0.00 -0.57 0.00 0.00 43.02 41.90 3ix0 s PHE 4 CO 0.14 -0.17 0.12 0.42 -0.10 0.00 0.00 175.22 175.63 3ix0 s ILE 5 N 1.05 3.12 0.45 0.64 1.01 0.87 -4.99 121.20 123.35 3ix0 s ILE 5 Ca -0.09 -1.83 0.18 0.00 0.00 0.00 0.00 60.65 58.92 3ix0 s ILE 5 Cb -0.14 -3.03 0.37 0.00 0.01 0.00 0.00 42.46 39.68 3ix0 s ILE 5 CO -0.01 -0.47 1.92 -0.65 0.00 0.00 0.00 174.94 175.72 3ix0 h PRO 6 N 8.00 0.32 -1.36 2.79 0.11 -1.89 0.39 132.00 140.36 3ix0 h PRO 6 Ca -0.15 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.82 3ix0 h PRO 6 Cb 1.05 -0.07 -0.24 0.00 0.11 0.00 0.00 31.00 31.85 3ix0 h PRO 6 CO 0.62 0.21 -0.49 1.21 -0.21 0.00 0.00 178.00 179.35 3ix0 s ASN 7 N -5.90 -0.57 0.16 -2.05 3.84 -1.26 -2.03 114.94 107.13 3ix0 s ASN 7 Ca -0.07 -0.49 0.19 0.00 0.21 0.00 0.00 52.86 52.70 3ix0 s ASN 7 Cb 0.21 1.51 0.82 0.00 -0.55 0.00 0.00 41.25 43.24 3ix0 s ASN 7 CO 0.77 -0.28 1.59 -1.84 -2.79 0.00 0.00 177.10 174.54 3ix0 n GLU 8 N 4.98 0.11 0.00 0.43 0.28 -0.93 -4.90 120.64 120.62 3ix0 n GLU 8 Ca 0.06 0.38 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 3ix0 n GLU 8 Cb 0.52 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.67 3ix0 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ix0 n GLY 9 N -0.14 2.97 3.66 -1.84 0.00 -1.26 -5.07 105.19 103.49 3ix0 n GLY 9 Ca 0.02 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 3ix0 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ix0 s VAL 10 N -2.00 4.22 0.66 1.61 1.01 -1.26 -5.01 120.40 119.63 3ix0 s VAL 10 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 3ix0 s VAL 10 Cb 0.00 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3ix0 s VAL 10 CO 0.00 -0.18 1.20 -2.84 0.00 0.00 0.00 175.10 173.28 3ix0 s PRO 11 N 3.64 2.61 0.00 2.72 0.02 -1.26 -4.93 135.00 137.81 3ix0 s PRO 11 Ca 0.56 1.75 0.25 0.00 0.02 0.00 0.00 61.00 63.59 3ix0 s PRO 11 Cb -0.22 -1.89 0.51 0.00 0.02 0.00 0.00 34.50 32.92 3ix0 s PRO 11 CO 0.17 -1.47 1.44 0.41 -0.33 0.00 0.00 177.00 177.21 3ix0 n GLY 12 N 0.34 0.53 3.74 0.52 0.00 -1.26 -4.97 105.19 104.10 3ix0 n GLY 12 Ca 0.13 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 3ix0 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ix0 s ASP 13 N -2.04 5.22 -0.11 1.61 1.11 -1.26 -4.96 116.67 116.24 3ix0 s ASP 13 Ca 0.31 -0.22 0.19 0.00 0.18 0.00 0.00 52.55 53.01 3ix0 s ASP 13 Cb 0.20 -1.28 0.73 0.00 1.07 0.00 0.00 42.92 43.65 3ix0 s ASP 13 CO 0.34 0.09 1.64 -1.20 1.18 0.00 0.00 175.17 177.21 3ix0 n SER 14 N -0.18 4.79 0.04 0.27 7.64 -1.26 -4.45 113.62 120.47 3ix0 n SER 14 Ca -0.09 -2.42 0.13 0.00 1.01 0.00 0.00 58.87 57.50 3ix0 n SER 14 Cb 0.55 -0.58 0.44 0.00 -1.01 0.00 0.00 64.21 63.60 3ix0 n SER 14 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ix0 n THR 15 N 1.22 0.25 -3.57 0.44 -1.04 -1.26 -4.96 114.28 105.35 3ix0 n THR 15 Ca 0.26 -0.14 -0.27 0.00 -2.04 0.00 0.00 64.05 61.86 3ix0 n THR 15 Cb 0.89 -0.38 0.05 0.00 -1.82 0.00 0.00 70.33 69.07 3ix0 n THR 15 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ix0 n ARG 16 N -1.85 -1.45 -4.42 -2.82 1.74 -1.26 -4.91 116.66 101.68 3ix0 n ARG 16 Ca 0.06 0.56 -0.25 0.00 -0.77 0.00 0.00 57.85 57.45 3ix0 n ARG 16 Cb 0.38 -4.53 -0.10 0.00 -1.02 0.00 0.00 32.46 27.19 3ix0 n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3ix0 s LYS 17 N -5.57 1.69 0.44 5.56 1.02 -1.26 -2.35 119.74 119.26 3ix0 s LYS 17 Ca 0.47 -1.60 0.05 0.00 0.02 0.00 0.00 55.97 54.91 3ix0 s LYS 17 Cb -0.14 -1.86 -0.06 0.00 -0.52 0.00 0.00 37.83 35.24 3ix0 s LYS 17 CO 0.83 0.37 0.01 0.00 -0.92 0.00 0.00 175.35 175.64 3ix0 s MET 19 N -3.76 1.21 0.51 0.00 0.23 -1.26 -0.15 119.30 116.08 3ix0 s MET 19 Ca 0.27 -0.77 -0.04 0.00 -1.03 0.00 0.00 55.69 54.12 3ix0 s MET 19 Cb 0.08 -1.24 0.11 0.00 -1.53 0.00 0.00 34.83 32.24 3ix0 s MET 19 CO 0.14 0.32 0.70 -0.40 -2.03 0.00 0.00 175.02 173.75 3ix0 n ASP 20 N 2.12 0.54 0.00 -1.18 5.68 -0.07 -4.87 116.55 118.76 3ix0 n ASP 20 Ca -0.17 -1.55 0.08 0.00 -0.50 0.00 0.00 54.79 52.65 3ix0 n ASP 20 Cb 0.54 -0.49 0.37 0.00 -1.14 0.00 0.00 41.12 40.40 3ix0 n ASP 20 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ix0 n LEU 21 N 0.00 0.00 -0.56 -2.12 4.32 -1.26 -0.60 117.00 116.79 3ix0 n LEU 21 Ca 0.10 0.48 0.12 0.00 -0.02 0.00 0.00 56.01 56.69 3ix0 n LEU 21 Cb 0.36 -0.48 0.42 0.00 -1.62 0.00 0.00 43.42 42.10 3ix0 n LEU 21 CO 0.25 -0.20 0.80 0.29 -1.22 0.00 0.00 177.39 177.32 3ix0 n LYS 22 N -1.48 1.74 -1.27 3.23 5.02 -1.26 -4.92 118.16 119.23 3ix0 n LYS 22 Ca 0.04 -1.11 -0.09 0.00 -2.02 0.00 0.00 58.31 55.14 3ix0 n LYS 22 Cb 0.19 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 3ix0 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ix0 n GLY 23 N 1.16 1.07 3.81 0.72 0.00 0.24 -5.00 105.19 107.20 3ix0 n GLY 23 Ca 0.17 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3ix0 n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ix0 s ASN 24 N -2.77 7.06 0.17 1.61 0.01 -1.26 -4.82 114.94 114.94 3ix0 s ASN 24 Ca 0.00 1.36 -0.15 0.00 -0.71 0.00 0.00 52.86 53.36 3ix0 s ASN 24 Cb 0.00 -2.40 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3ix0 s ASN 24 CO 0.00 0.11 0.58 -0.54 -1.51 0.00 0.00 177.10 175.74 3ix0 s LYS 25 N -1.74 4.00 0.03 -0.60 1.02 -1.26 -0.90 119.74 120.30 3ix0 s LYS 25 Ca 0.39 0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.92 3ix0 s LYS 25 Cb -0.18 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3ix0 s LYS 25 CO 0.21 0.44 -0.06 -1.01 -0.92 0.00 0.00 175.35 174.01 3ix0 s HIS 26 N -1.53 0.50 0.45 3.18 3.76 0.78 -4.95 115.29 117.49 3ix0 s HIS 26 Ca 0.40 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.67 3ix0 s HIS 26 Cb -0.15 -0.31 -0.07 0.00 1.11 0.00 0.00 32.58 33.16 3ix0 s HIS 26 CO 0.19 -0.09 1.22 -2.14 -0.85 0.00 0.00 174.74 173.08 3ix0 s PRO 27 N -1.20 3.78 0.70 8.40 0.02 -1.26 0.56 135.00 145.99 3ix0 s PRO 27 Ca -0.09 1.92 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 3ix0 s PRO 27 Cb -0.08 -2.51 0.02 0.00 0.02 0.00 0.00 34.50 31.95 3ix0 s PRO 27 CO -0.00 -0.58 1.22 0.96 -0.33 0.00 0.00 177.00 178.27 3ix0 s ILE 28 N -1.43 2.30 -1.24 2.83 -4.36 -0.99 -3.30 121.20 115.02 3ix0 s ILE 28 Ca 0.62 0.16 -0.00 0.00 -0.26 0.00 0.00 60.65 61.17 3ix0 s ILE 28 Cb -0.32 -2.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.56 3ix0 s ILE 28 CO 0.40 -0.07 0.88 0.59 0.24 0.00 0.00 174.94 176.98 3ix0 n ASN 29 N -2.45 -1.82 -4.19 4.36 3.02 0.28 -4.91 115.26 109.56 3ix0 n ASN 29 Ca 0.14 -0.70 -0.11 0.00 -0.03 0.00 0.00 54.58 53.87 3ix0 n ASN 29 Cb 0.50 -4.71 -0.10 0.00 -0.61 0.00 0.00 39.78 34.85 3ix0 n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ix0 s SER 30 N -4.34 0.45 0.04 6.41 1.04 -0.94 -4.99 113.70 111.37 3ix0 s SER 30 Ca 0.01 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.20 3ix0 s SER 30 Cb -0.00 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 3ix0 s SER 30 CO 0.76 -0.74 -0.09 -1.83 0.98 0.00 0.00 173.24 172.32 3ix0 s GLU 31 N -4.06 0.59 0.11 4.02 -1.05 -1.26 -1.57 118.70 115.48 3ix0 s GLU 31 Ca 0.29 -0.70 -0.14 0.00 -0.15 0.00 0.00 54.97 54.27 3ix0 s GLU 31 Cb 0.07 -0.45 0.02 0.00 -0.44 0.00 0.00 34.13 33.34 3ix0 s GLU 31 CO 0.06 0.10 0.34 1.67 0.95 0.00 0.00 175.26 178.37 3ix0 s TRP 32 N -1.13 -0.10 -0.15 4.83 -2.14 -0.60 -5.01 118.94 114.64 3ix0 s TRP 32 Ca -0.06 -0.25 -0.05 0.00 2.66 0.00 0.00 56.10 58.40 3ix0 s TRP 32 Cb -0.09 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.41 3ix0 s TRP 32 CO 0.01 -0.66 0.02 -1.14 -2.66 0.00 0.00 176.95 172.52 3ix0 s GLN 33 N -3.82 3.68 0.81 3.25 0.74 -1.26 -1.25 119.66 121.80 3ix0 s GLN 33 Ca 0.04 -0.41 -0.12 0.00 0.05 0.00 0.00 55.36 54.91 3ix0 s GLN 33 Cb 0.03 -3.03 0.08 0.00 1.10 0.00 0.00 33.01 31.19 3ix0 s GLN 33 CO -0.12 0.36 1.18 0.95 -0.55 0.00 0.00 175.29 177.11 3ix0 s THR 34 N 0.10 2.00 -1.83 -0.34 -4.23 -0.70 -4.92 115.64 105.73 3ix0 s THR 34 Ca 0.03 -0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.72 3ix0 s THR 34 Cb -0.13 -3.00 0.47 0.00 1.34 0.00 0.00 72.50 71.18 3ix0 s THR 34 CO 0.02 0.00 1.53 -0.90 -0.54 0.00 0.00 174.62 174.72 3ix0 n ASP 35 N -3.32 0.00 -0.38 3.99 5.75 -1.26 -3.21 116.55 118.11 3ix0 n ASP 35 Ca 0.08 -0.40 0.08 0.00 -0.01 0.00 0.00 54.79 54.54 3ix0 n ASP 35 Cb 0.61 -0.09 0.18 0.00 -1.03 0.00 0.00 41.12 40.79 3ix0 n ASP 35 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ix0 n ASN 36 N -1.09 2.46 -2.46 -1.12 5.15 -1.26 -4.98 115.26 111.96 3ix0 n ASN 36 Ca 0.12 -3.30 -0.18 0.00 -0.60 0.00 0.00 54.58 50.63 3ix0 n ASN 36 Cb 0.09 -0.48 0.03 0.00 -0.53 0.00 0.00 39.78 38.89 3ix0 n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ix0 s GLU 38 N -5.52 2.03 -0.19 0.00 2.02 -1.26 -0.91 118.70 114.87 3ix0 s GLU 38 Ca 0.27 -1.07 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 3ix0 s GLU 38 Cb -0.12 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 3ix0 s GLU 38 CO 0.33 0.50 0.01 -0.08 0.02 0.00 0.00 175.26 176.04 3ix0 s THR 39 N -1.19 4.11 0.10 3.63 -1.32 0.58 -1.72 115.64 119.84 3ix0 s THR 39 Ca 0.20 -0.27 0.10 0.00 -1.21 0.00 0.00 61.69 60.52 3ix0 s THR 39 Cb -0.11 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 68.00 3ix0 s THR 39 CO 0.12 0.44 -0.26 0.00 -2.21 0.00 0.00 174.62 172.72 3ix0 s THR 41 N -0.99 0.50 -0.19 0.00 2.01 0.76 -1.55 115.64 116.18 3ix0 s THR 41 Ca 0.12 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 3ix0 s THR 41 Cb -0.10 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 3ix0 s THR 41 CO 0.05 0.00 -0.07 0.00 -0.69 0.00 0.00 174.62 173.91 3ix0 s TYR 43 N 1.00 2.17 0.00 0.00 -0.00 -0.35 0.10 117.35 120.27 3ix0 s TYR 43 Ca -0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 57.07 56.26 3ix0 s TYR 43 Cb -0.15 -1.47 0.00 0.00 -0.00 0.00 0.00 41.96 40.35 3ix0 s TYR 43 CO -0.00 -0.32 0.00 0.39 -0.00 0.00 0.00 175.55 175.62 3ix0 n GLU 44 N 3.45 0.00 -0.02 -3.49 -0.58 -1.26 0.07 120.64 118.81 3ix0 n GLU 44 Ca -0.20 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.58 3ix0 n GLU 44 Cb 0.53 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.30 3ix0 n GLU 44 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3ix0 n THR 45 N 0.00 0.18 -3.15 2.62 -2.24 -1.26 -4.84 114.28 105.58 3ix0 n THR 45 Ca 0.00 -0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 3ix0 n THR 45 Cb 0.00 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 3ix0 n THR 45 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ix0 s GLU 46 N -2.71 4.21 -0.05 -0.78 2.12 0.11 -2.18 118.70 119.43 3ix0 s GLU 46 Ca -0.05 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.15 3ix0 s GLU 46 Cb 0.07 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 3ix0 s GLU 46 CO 0.49 0.44 -0.24 -1.50 -0.54 0.00 0.00 175.26 173.91 3ix0 s ILE 47 N -1.46 1.93 0.01 -3.70 2.07 0.13 -1.21 121.20 118.96 3ix0 s ILE 47 Ca 0.41 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 3ix0 s ILE 47 Cb -0.17 -1.63 -0.01 0.00 0.13 0.00 0.00 42.46 40.79 3ix0 s ILE 47 CO 0.21 0.54 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.82 3ix0 s SER 48 N -0.22 0.20 -0.03 4.50 1.04 -0.35 -0.09 113.70 118.75 3ix0 s SER 48 Ca -0.01 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.25 3ix0 s SER 48 Cb -0.12 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3ix0 s SER 48 CO 0.02 -0.10 -0.11 0.00 0.98 0.00 0.00 173.24 174.03 3ix0 s THR 51 N -0.97 3.45 -1.57 0.00 -1.32 -0.47 -0.31 115.64 114.46 3ix0 s THR 51 Ca 0.06 1.21 0.26 0.00 -1.21 0.00 0.00 61.69 62.00 3ix0 s THR 51 Cb -0.09 -3.67 0.16 0.00 -1.51 0.00 0.00 72.50 67.39 3ix0 s THR 51 CO 0.03 0.10 1.46 0.18 -2.21 0.00 0.00 174.62 174.18 3ix0 n LEU 52 N 0.20 0.99 -4.65 9.08 4.77 -0.09 -4.67 117.00 122.63 3ix0 n LEU 52 Ca 0.04 -0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.38 3ix0 n LEU 52 Cb 0.47 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3ix0 n LEU 52 CO 0.49 0.20 0.11 -0.69 -1.33 0.00 0.00 177.39 176.16 3ix0 s VAL 53 N -2.64 5.18 -0.15 4.08 1.01 -1.26 -4.92 120.40 121.70 3ix0 s VAL 53 Ca 0.20 0.69 -0.25 0.00 0.00 0.00 0.00 61.98 62.63 3ix0 s VAL 53 Cb 0.19 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3ix0 s VAL 53 CO 0.58 0.21 0.79 -0.44 0.00 0.00 0.00 175.10 176.25 3ix0 s SER 54 N 1.22 6.94 -0.20 3.32 0.01 -1.26 -4.61 113.70 119.12 3ix0 s SER 54 Ca 0.18 1.15 -0.14 0.00 1.31 0.00 0.00 55.95 58.45 3ix0 s SER 54 Cb -0.15 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3ix0 s SER 54 CO 0.08 -0.34 0.33 -0.89 0.41 0.00 0.00 173.24 172.83 3ix0 s THR 55 N 1.87 5.26 0.09 1.44 2.01 0.35 -4.44 115.64 122.22 3ix0 s THR 55 Ca 0.38 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 3ix0 s THR 55 Cb -0.17 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 3ix0 s THR 55 CO 0.14 0.30 1.04 -2.16 -0.69 0.00 0.00 174.62 173.25 3ix0 s PRO 56 N 1.08 4.59 0.00 4.92 0.04 -1.26 0.15 135.00 144.52 3ix0 s PRO 56 Ca 0.16 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3ix0 s PRO 56 Cb -0.14 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3ix0 s PRO 56 CO 0.06 0.03 0.06 1.33 0.04 0.00 0.00 177.00 178.52 3ix0 n VAL 57 N 3.18 0.00 -3.80 -0.36 0.24 0.30 -4.92 118.33 112.98 3ix0 n VAL 57 Ca 0.05 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.34 61.70 3ix0 n VAL 57 Cb 0.48 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.82 3ix0 n VAL 57 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ix0 s GLY 58 N -0.49 2.36 0.17 7.63 0.00 -0.79 -4.90 107.32 111.29 3ix0 s GLY 58 Ca 0.00 -3.08 -0.24 0.00 0.00 0.00 0.00 44.72 41.40 3ix0 s GLY 58 CO 0.00 1.06 0.94 -2.52 0.00 0.00 0.00 173.10 172.58 3ix0 s TYR 59 N 0.19 -0.13 -0.54 1.90 -0.85 -1.26 1.00 117.35 117.65 3ix0 s TYR 59 Ca 0.15 -0.20 -0.27 0.00 -0.52 0.00 0.00 57.07 56.23 3ix0 s TYR 59 Cb -0.22 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 3ix0 s TYR 59 CO -0.03 -0.87 1.78 0.34 -1.52 0.00 0.00 175.55 175.24 3ix0 s ASP 60 N -2.96 5.53 0.15 -0.18 -1.08 -1.26 -4.83 116.67 112.05 3ix0 s ASP 60 Ca 0.12 0.54 0.27 0.00 -0.52 0.00 0.00 52.55 52.96 3ix0 s ASP 60 Cb -0.02 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.76 3ix0 s ASP 60 CO 0.03 -2.13 1.76 0.29 0.52 0.00 0.00 175.17 175.63 3ix0 n LYS 61 N 8.94 0.21 0.02 4.34 5.02 -1.26 -1.41 118.16 134.02 3ix0 n LYS 61 Ca 0.20 0.15 -0.18 0.00 -2.02 0.00 0.00 58.31 56.46 3ix0 n LYS 61 Cb 0.50 -1.73 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 3ix0 n LYS 61 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3ix0 h ASP 62 N 0.00 0.45 -0.02 4.39 3.32 -2.03 -3.38 116.42 119.16 3ix0 h ASP 62 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.18 3ix0 h ASP 62 Cb 0.69 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3ix0 h ASP 62 CO 0.00 1.28 -0.04 0.59 -1.72 0.00 0.00 179.24 179.35 3ix0 n ASN 63 N -4.21 2.39 -4.09 6.45 3.02 -1.24 -4.96 115.26 112.63 3ix0 n ASN 63 Ca -0.12 -1.70 -0.12 0.00 -0.03 0.00 0.00 54.58 52.62 3ix0 n ASN 63 Cb 0.73 0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.85 3ix0 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ix0 s GLN 65 N -2.30 0.63 -0.07 0.00 -2.07 0.45 -4.41 119.66 111.89 3ix0 s GLN 65 Ca -0.04 -0.94 -0.09 0.00 -1.82 0.00 0.00 55.36 52.47 3ix0 s GLN 65 Cb -0.05 -0.27 -0.05 0.00 -1.09 0.00 0.00 33.01 31.55 3ix0 s GLN 65 CO -0.02 0.03 0.24 -0.98 -1.32 0.00 0.00 175.29 173.24 3ix0 s ARG 66 N -2.29 3.60 -0.08 9.60 1.70 -1.26 -0.99 118.95 129.23 3ix0 s ARG 66 Ca -0.03 0.05 -0.00 0.00 -0.47 0.00 0.00 55.73 55.28 3ix0 s ARG 66 Cb -0.05 -3.19 0.02 0.00 -0.57 0.00 0.00 34.95 31.16 3ix0 s ARG 66 CO -0.01 0.74 -0.05 0.42 -1.08 0.00 0.00 175.30 175.32 3ix0 s ILE 67 N -1.07 0.73 0.19 4.99 1.01 0.14 -4.98 121.20 122.21 3ix0 s ILE 67 Ca 0.19 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 3ix0 s ILE 67 Cb -0.14 -0.78 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 3ix0 s ILE 67 CO 0.08 0.30 1.09 0.12 0.00 0.00 0.00 174.94 176.54 3ix0 s PHE 68 N 1.55 3.61 -0.55 3.97 5.36 -1.26 -1.37 117.98 129.29 3ix0 s PHE 68 Ca 0.00 1.62 -0.02 0.00 -0.96 0.00 0.00 56.93 57.58 3ix0 s PHE 68 Cb -0.13 -3.26 0.14 0.00 -0.34 0.00 0.00 43.02 39.43 3ix0 s PHE 68 CO -0.05 -0.55 0.35 0.15 -1.46 0.00 0.00 175.22 173.66 3ix0 s LYS 69 N -0.50 2.32 0.12 10.12 1.02 0.14 -4.95 119.74 128.01 3ix0 s LYS 69 Ca 0.49 -2.36 -0.20 0.00 0.02 0.00 0.00 55.97 53.92 3ix0 s LYS 69 Cb -0.29 -3.63 -0.07 0.00 -0.52 0.00 0.00 37.83 33.32 3ix0 s LYS 69 CO 0.35 -1.13 1.76 -0.22 -0.92 0.00 0.00 175.35 175.19 3ix0 h LYS 70 N 7.22 0.17 -0.00 1.68 3.64 -1.95 0.50 116.57 127.82 3ix0 h LYS 70 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3ix0 h LYS 70 Cb 0.97 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3ix0 h LYS 70 CO 0.70 0.11 0.00 1.05 -2.27 0.00 0.00 179.45 179.05 3ix0 h GLU 71 N 0.17 0.00 -0.02 1.90 9.09 -1.95 0.11 114.58 123.89 3ix0 h GLU 71 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 3ix0 h GLU 71 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 3ix0 h GLU 71 CO -0.06 0.00 -0.20 -0.25 0.05 0.00 0.00 179.01 178.56 3ix0 n ASP 72 N -3.54 2.26 -4.15 3.06 8.00 -0.27 -4.99 116.55 116.92 3ix0 n ASP 72 Ca -0.03 -1.63 -0.33 0.00 0.71 0.00 0.00 54.79 53.51 3ix0 n ASP 72 Cb 0.08 0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 3ix0 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ix0 s LYS 74 N -6.85 1.21 0.20 0.00 -2.85 -1.09 -4.40 119.74 105.96 3ix0 s LYS 74 Ca 0.46 -1.37 0.06 0.00 -1.00 0.00 0.00 55.97 54.12 3ix0 s LYS 74 Cb -0.25 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 35.82 3ix0 s LYS 74 CO 0.92 -0.43 0.11 0.71 0.10 0.00 0.00 175.35 176.76 3ix0 s TYR 75 N -4.05 3.03 0.20 1.78 2.02 -1.26 0.28 117.35 119.35 3ix0 s TYR 75 Ca 0.26 -0.09 0.11 0.00 -0.37 0.00 0.00 57.07 56.98 3ix0 s TYR 75 Cb 0.04 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 3ix0 s TYR 75 CO 0.06 0.53 -0.19 0.96 -1.57 0.00 0.00 175.55 175.34 3ix0 s ILE 76 N -1.91 2.64 -0.16 2.71 -4.36 -0.47 -4.92 121.20 114.73 3ix0 s ILE 76 Ca 0.31 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 3ix0 s ILE 76 Cb -0.09 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.35 3ix0 s ILE 76 CO 0.22 -0.15 -0.15 -0.69 0.24 0.00 0.00 174.94 174.42 3ix0 s VAL 77 N -1.78 1.68 0.16 8.37 1.01 -1.26 -0.68 120.40 127.90 3ix0 s VAL 77 Ca 0.23 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ix0 s VAL 77 Cb -0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3ix0 s VAL 77 CO 0.12 0.44 0.07 0.68 0.00 0.00 0.00 175.10 176.41 3ix0 s VAL 78 N 1.44 0.19 0.16 2.92 -7.23 -0.16 -1.53 120.40 116.18 3ix0 s VAL 78 Ca 0.04 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 3ix0 s VAL 78 Cb -0.13 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 3ix0 s VAL 78 CO -0.11 -0.32 1.30 -1.61 -0.31 0.00 0.00 175.10 174.05 3ix0 s GLU 79 N -4.06 4.39 0.25 4.82 2.02 0.69 -0.42 118.70 126.40 3ix0 s GLU 79 Ca 0.29 2.00 -0.05 0.00 0.02 0.00 0.00 54.97 57.23 3ix0 s GLU 79 Cb 0.07 -3.23 0.32 0.00 0.10 0.00 0.00 34.13 31.39 3ix0 s GLU 79 CO 0.05 -0.28 1.88 0.87 0.02 0.00 0.00 175.26 177.80 3ix0 h LYS 80 N 5.86 1.07 0.00 1.61 1.57 -1.50 -1.24 116.57 123.94 3ix0 h LYS 80 Ca -0.44 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3ix0 h LYS 80 Cb 1.21 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3ix0 h LYS 80 CO 0.80 0.71 0.00 1.57 -0.57 0.00 0.00 179.45 181.96 3ix0 h LYS 81 N 1.11 0.00 -1.04 3.15 2.10 -1.91 -3.38 116.57 116.59 3ix0 h LYS 81 Ca 0.38 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.86 3ix0 h LYS 81 Cb 0.07 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.24 3ix0 h LYS 81 CO -0.14 0.00 -0.51 0.34 -2.00 0.00 0.00 179.45 177.14 3ix0 s ASP 82 N -4.64 -1.36 0.00 7.07 -1.08 -0.80 -5.01 116.67 110.85 3ix0 s ASP 82 Ca 0.06 -1.77 0.00 0.00 -0.52 0.00 0.00 52.55 50.32 3ix0 s ASP 82 Cb 0.10 1.83 0.00 0.00 -1.46 0.00 0.00 42.92 43.39 3ix0 s ASP 82 CO 0.50 -0.06 0.28 -2.65 0.52 0.00 0.00 175.17 173.77 3ix0 n PRO 83 N 2.95 0.00 0.00 4.34 -0.02 -0.53 0.13 135.00 141.88 3ix0 n PRO 83 Ca 0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3ix0 n PRO 83 Cb 0.56 -1.35 0.18 0.00 -0.02 0.00 0.00 33.50 32.87 3ix0 n PRO 83 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ix0 n LYS 84 N -0.76 0.04 -3.74 -0.52 5.02 -1.26 -4.77 118.16 112.16 3ix0 n LYS 84 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 3ix0 n LYS 84 Cb 0.00 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.37 3ix0 n LYS 84 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ix0 s LYS 85 N -3.02 3.37 0.65 1.97 3.01 0.12 -5.03 119.74 120.81 3ix0 s LYS 85 Ca 0.10 -0.68 -0.17 0.00 -1.01 0.00 0.00 55.97 54.21 3ix0 s LYS 85 Cb 0.17 -3.39 -0.00 0.00 -1.01 0.00 0.00 37.83 33.59 3ix0 s LYS 85 CO 0.73 -0.34 1.20 0.99 0.51 0.00 0.00 175.35 178.45 3ix0 s THR 86 N 1.57 2.58 0.30 2.17 2.01 -1.26 -0.22 115.64 122.79 3ix0 s THR 86 Ca 0.05 0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.46 3ix0 s THR 86 Cb -0.16 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 3ix0 s THR 86 CO 0.04 -0.12 0.01 0.00 -0.69 0.00 0.00 174.62 173.86 3ix0 s SER 88 N -3.70 7.17 -0.07 0.00 1.04 -1.26 -4.85 113.70 112.02 3ix0 s SER 88 Ca 0.33 1.71 0.04 0.00 0.48 0.00 0.00 55.95 58.51 3ix0 s SER 88 Cb -0.04 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 3ix0 s SER 88 CO 0.20 -0.13 -0.19 -0.69 0.98 0.00 0.00 173.24 173.40 3ix0 s VAL 89 N -1.76 2.58 -0.34 5.02 1.01 -1.26 -4.58 120.40 121.07 3ix0 s VAL 89 Ca 0.52 -0.88 0.18 0.00 0.00 0.00 0.00 61.98 61.81 3ix0 s VAL 89 Cb -0.15 -2.00 -0.25 0.00 0.00 0.00 0.00 36.38 33.98 3ix0 s VAL 89 CO 0.20 0.57 0.54 -1.54 0.00 0.00 0.00 175.10 174.87 3ix0 n SER 90 N 2.87 0.81 -3.67 3.32 3.41 0.28 -4.96 113.62 115.67 3ix0 n SER 90 Ca -0.17 -0.35 -0.10 0.00 -0.26 0.00 0.00 58.87 57.99 3ix0 n SER 90 Cb 0.52 1.52 -0.09 0.00 -0.26 0.00 0.00 64.21 65.90 3ix0 n SER 90 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ix0 s GLU 91 N -3.05 0.56 0.14 4.33 2.12 -1.24 -4.90 118.70 116.66 3ix0 s GLU 91 Ca -0.02 0.94 0.11 0.00 0.36 0.00 0.00 54.97 56.36 3ix0 s GLU 91 Cb 0.12 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 3ix0 s GLU 91 CO 0.75 -0.14 -0.24 -1.58 -0.54 0.00 0.00 175.26 173.51 3ix0 s TRP 92 N 1.26 2.36 0.04 5.30 0.52 -1.26 -0.54 118.94 126.63 3ix0 s TRP 92 Ca -0.08 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.74 3ix0 s TRP 92 Cb -0.06 -1.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.99 3ix0 s TRP 92 CO -0.13 0.39 -0.13 0.42 0.02 0.00 0.00 176.95 177.52 3ix0 s ILE 93 N -1.24 1.03 0.00 2.03 1.01 0.39 -4.91 121.20 119.50 3ix0 s ILE 93 Ca 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3ix0 s ILE 93 Cb -0.10 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.42 3ix0 s ILE 93 CO 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 174.94 174.94