#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 -3.38 2.15 -0.05 0.00 -0.85 0.40 -4.97 117.35 110.66 3ix0 s TYR 3 Ca 0.13 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.32 3ix0 s TYR 3 Cb 0.03 -1.09 0.00 0.00 0.38 0.00 0.00 41.96 41.29 3ix0 s TYR 3 CO -0.02 0.42 -0.14 -0.06 -1.52 0.00 0.00 175.55 174.24 3ix0 s PHE 4 N -1.65 1.47 0.11 -3.49 0.08 -1.26 -1.75 117.98 111.49 3ix0 s PHE 4 Ca 0.18 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.77 3ix0 s PHE 4 Cb -0.08 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 3ix0 s PHE 4 CO 0.08 -0.20 -0.02 0.96 -0.10 0.00 0.00 175.22 175.95 3ix0 s ILE 5 N 0.30 0.47 0.82 0.64 -4.36 -0.45 -4.99 121.20 113.64 3ix0 s ILE 5 Ca -0.08 -1.92 -0.10 0.00 -0.26 0.00 0.00 60.65 58.29 3ix0 s ILE 5 Cb -0.13 -1.83 0.09 0.00 1.25 0.00 0.00 42.46 41.85 3ix0 s ILE 5 CO 0.02 -0.72 1.12 -2.16 0.24 0.00 0.00 174.94 173.44 3ix0 s PRO 6 N -3.91 1.78 -1.03 0.37 0.04 -1.26 -0.88 135.00 130.10 3ix0 s PRO 6 Ca 0.16 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 3ix0 s PRO 6 Cb 0.06 -1.83 0.19 0.00 0.04 0.00 0.00 34.50 32.97 3ix0 s PRO 6 CO -0.02 -2.03 1.13 1.21 0.04 0.00 0.00 177.00 177.33 3ix0 s ASN 7 N -3.07 6.94 0.10 6.66 2.47 -1.18 -4.28 114.94 122.57 3ix0 s ASN 7 Ca 0.64 -2.79 -0.31 0.00 0.42 0.00 0.00 52.86 50.81 3ix0 s ASN 7 Cb -0.20 -2.32 -0.09 0.00 -1.45 0.00 0.00 41.25 37.20 3ix0 s ASN 7 CO 0.56 -0.70 1.60 -0.70 -3.72 0.00 0.00 177.10 174.14 3ix0 s GLU 8 N 0.96 4.22 0.36 0.43 2.12 -1.26 -4.83 118.70 120.70 3ix0 s GLU 8 Ca 0.32 2.30 -0.27 0.00 0.36 0.00 0.00 54.97 57.68 3ix0 s GLU 8 Cb -0.06 -3.44 -0.09 0.00 0.26 0.00 0.00 34.13 30.79 3ix0 s GLU 8 CO -0.06 -0.67 1.21 0.20 -0.54 0.00 0.00 175.26 175.39 3ix0 s GLY 9 N 1.92 2.94 -0.61 -1.50 0.00 -1.26 -4.91 107.32 103.91 3ix0 s GLY 9 Ca 0.72 1.06 -0.18 0.00 0.00 0.00 0.00 44.72 46.32 3ix0 s GLY 9 CO 0.31 1.63 0.66 -1.34 0.00 0.00 0.00 173.10 174.37 3ix0 s VAL 10 N -1.28 4.99 -0.19 1.40 -7.23 -1.26 -5.00 120.40 111.83 3ix0 s VAL 10 Ca 0.53 -1.28 -0.35 0.00 -1.81 0.00 0.00 61.98 59.06 3ix0 s VAL 10 Cb -0.34 -4.45 -0.12 0.00 0.56 0.00 0.00 36.38 32.03 3ix0 s VAL 10 CO 0.44 -1.06 1.94 -2.65 -0.31 0.00 0.00 175.10 173.46 3ix0 n PRO 11 N 5.84 1.76 0.00 4.82 -0.02 -1.26 -0.74 135.00 145.40 3ix0 n PRO 11 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3ix0 n PRO 11 Cb 0.42 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3ix0 n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ix0 n GLY 12 N 4.89 1.04 3.64 -1.23 0.00 -1.26 -5.12 105.19 107.15 3ix0 n GLY 12 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.72 4.67 -0.08 1.61 1.01 0.08 -5.06 116.67 117.19 3ix0 s ASP 13 Ca 0.00 -0.41 -0.10 0.00 0.71 0.00 0.00 52.55 52.75 3ix0 s ASP 13 Cb 0.00 -0.97 -0.08 0.00 1.01 0.00 0.00 42.92 42.89 3ix0 s ASP 13 CO 0.00 0.11 0.38 0.77 0.21 0.00 0.00 175.17 176.64 3ix0 h SER 14 N 2.89 -0.14 -3.02 0.27 4.64 -2.00 -3.46 113.55 112.73 3ix0 h SER 14 Ca -0.47 -0.17 -0.66 0.00 -0.47 0.00 0.00 61.79 60.01 3ix0 h SER 14 Cb 1.20 0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.22 3ix0 h SER 14 CO 0.57 0.41 -0.56 0.28 -0.87 0.00 0.00 176.83 176.66 3ix0 s THR 15 N -2.35 4.86 -1.03 2.95 -1.32 -1.26 -5.03 115.64 112.46 3ix0 s THR 15 Ca -0.06 -0.19 -0.19 0.00 -1.21 0.00 0.00 61.69 60.04 3ix0 s THR 15 Cb -0.00 -3.16 0.12 0.00 -1.51 0.00 0.00 72.50 67.95 3ix0 s THR 15 CO 0.21 0.48 1.30 0.00 -2.21 0.00 0.00 174.62 174.41 3ix0 s ARG 16 N -1.35 3.73 0.66 7.08 1.70 -1.26 -4.91 118.95 124.59 3ix0 s ARG 16 Ca 0.19 -1.82 -0.02 0.00 -0.47 0.00 0.00 55.73 53.61 3ix0 s ARG 16 Cb -0.12 -5.08 0.08 0.00 -0.57 0.00 0.00 34.95 29.25 3ix0 s ARG 16 CO 0.09 -1.90 0.92 0.15 -1.08 0.00 0.00 175.30 173.48 3ix0 s LYS 17 N 3.04 2.12 0.15 3.89 1.02 -1.26 -4.80 119.74 123.90 3ix0 s LYS 17 Ca 0.39 -0.74 -0.26 0.00 0.02 0.00 0.00 55.97 55.38 3ix0 s LYS 17 Cb -0.03 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.87 3ix0 s LYS 17 CO -0.06 -1.13 0.80 0.00 -0.92 0.00 0.00 175.35 174.03 3ix0 s MET 19 N -0.88 3.35 0.65 0.00 1.75 -1.26 0.88 119.30 123.79 3ix0 s MET 19 Ca 0.37 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 54.22 3ix0 s MET 19 Cb -0.23 -2.69 0.10 0.00 2.84 0.00 0.00 34.83 34.85 3ix0 s MET 19 CO 0.26 0.29 0.90 0.16 -0.65 0.00 0.00 175.02 175.99 3ix0 s ASP 20 N 0.17 4.68 0.65 1.11 3.84 -0.33 -4.95 116.67 121.84 3ix0 s ASP 20 Ca -0.05 -0.50 0.39 0.00 -0.00 0.00 0.00 52.55 52.39 3ix0 s ASP 20 Cb -0.15 0.01 2.15 0.00 -1.38 0.00 0.00 42.92 43.56 3ix0 s ASP 20 CO 0.04 -1.62 2.26 -0.07 -0.00 0.00 0.00 175.17 175.78 3ix0 h LEU 21 N -0.23 0.00 -2.69 2.11 4.07 -2.00 -0.34 115.31 116.22 3ix0 h LEU 21 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 3ix0 h LEU 21 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3ix0 h LEU 21 CO 0.41 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 178.06 3ix0 n LYS 22 N -3.22 3.22 0.00 1.13 5.02 -1.26 -4.92 118.16 118.13 3ix0 n LYS 22 Ca -0.02 -2.47 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 3ix0 n LYS 22 Cb 0.15 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 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 1.14 2.98 3.64 0.72 0.00 -0.14 -5.01 105.19 108.52 3ix0 n GLY 23 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3ix0 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ix0 n ASN 24 N 0.20 0.28 -4.53 1.61 3.02 -1.26 -4.53 115.26 110.06 3ix0 n ASN 24 Ca 0.00 0.50 -0.32 0.00 -0.03 0.00 0.00 54.58 54.73 3ix0 n ASN 24 Cb 0.00 -1.44 -0.12 0.00 -0.61 0.00 0.00 39.78 37.61 3ix0 n ASN 24 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ix0 s LYS 25 N -4.14 2.45 0.01 3.52 2.20 -1.26 -1.19 119.74 121.35 3ix0 s LYS 25 Ca 0.69 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 3ix0 s LYS 25 Cb -0.27 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3ix0 s LYS 25 CO 0.56 0.60 -0.07 -1.01 -0.36 0.00 0.00 175.35 175.07 3ix0 s HIS 26 N -0.88 0.59 0.76 4.03 3.76 0.25 -4.95 115.29 118.86 3ix0 s HIS 26 Ca 0.14 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 3ix0 s HIS 26 Cb -0.11 -0.37 0.06 0.00 1.11 0.00 0.00 32.58 33.27 3ix0 s HIS 26 CO 0.04 -0.03 1.22 -2.14 -0.85 0.00 0.00 174.74 172.98 3ix0 s PRO 27 N -0.70 1.90 0.45 8.40 0.02 -1.26 -0.09 135.00 143.71 3ix0 s PRO 27 Ca -0.02 1.81 -0.24 0.00 0.02 0.00 0.00 61.00 62.57 3ix0 s PRO 27 Cb -0.05 -1.80 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 3ix0 s PRO 27 CO 0.00 -2.03 1.24 0.42 -0.33 0.00 0.00 177.00 176.30 3ix0 s ILE 28 N -1.98 2.82 -1.34 2.83 -1.09 -1.26 -2.93 121.20 118.24 3ix0 s ILE 28 Ca 0.75 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 3ix0 s ILE 28 Cb -0.30 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 3ix0 s ILE 28 CO 0.48 0.04 0.00 0.59 -1.23 0.00 0.00 174.94 174.81 3ix0 n ASN 29 N -0.28 -5.33 -4.90 3.58 4.13 0.18 -5.00 115.26 107.64 3ix0 n ASN 29 Ca 0.06 0.31 -0.34 0.00 1.68 0.00 0.00 54.58 56.30 3ix0 n ASN 29 Cb 0.46 -3.94 -0.05 0.00 -1.54 0.00 0.00 39.78 34.71 3ix0 n ASN 29 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3ix0 s SER 30 N -2.56 6.41 -0.11 6.41 1.04 -1.15 -4.90 113.70 118.84 3ix0 s SER 30 Ca 0.00 0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.76 3ix0 s SER 30 Cb 0.00 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 64.05 3ix0 s SER 30 CO 0.00 0.26 0.18 -0.70 0.98 0.00 0.00 173.24 173.96 3ix0 s GLU 31 N -1.89 3.58 0.10 4.02 -6.30 -1.26 -1.50 118.70 115.45 3ix0 s GLU 31 Ca 0.28 -0.05 0.02 0.00 -2.50 0.00 0.00 54.97 52.71 3ix0 s GLU 31 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 34.13 30.74 3ix0 s GLU 31 CO 0.18 0.72 -0.07 1.67 0.02 0.00 0.00 175.26 177.78 3ix0 s TRP 32 N -0.90 0.92 -0.19 5.30 -2.14 0.85 -4.98 118.94 117.79 3ix0 s TRP 32 Ca 0.16 -0.89 -0.05 0.00 2.66 0.00 0.00 56.10 57.98 3ix0 s TRP 32 Cb -0.13 -0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 29.69 3ix0 s TRP 32 CO 0.05 -0.13 -0.00 -1.14 -2.66 0.00 0.00 176.95 173.07 3ix0 s GLN 33 N -3.76 3.66 1.04 3.25 0.74 -1.26 0.31 119.66 123.64 3ix0 s GLN 33 Ca 0.12 -0.51 -0.18 0.00 0.05 0.00 0.00 55.36 54.84 3ix0 s GLN 33 Cb 0.05 -3.06 0.25 0.00 1.10 0.00 0.00 33.01 31.35 3ix0 s GLN 33 CO -0.04 0.08 1.11 0.25 -0.55 0.00 0.00 175.29 176.14 3ix0 n THR 34 N 4.04 0.00 0.99 -0.34 -2.24 0.39 -4.93 114.28 112.19 3ix0 n THR 34 Ca -0.17 -0.64 0.09 0.00 -2.27 0.00 0.00 64.05 61.06 3ix0 n THR 34 Cb 0.52 -1.36 0.28 0.00 -2.10 0.00 0.00 70.33 67.67 3ix0 n THR 34 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ix0 n ASP 35 N -4.34 1.91 -1.96 3.42 5.68 -1.26 -4.04 116.55 115.96 3ix0 n ASP 35 Ca 0.15 -1.85 -0.14 0.00 -0.50 0.00 0.00 54.79 52.45 3ix0 n ASP 35 Cb 0.54 -0.18 0.05 0.00 -1.14 0.00 0.00 41.12 40.40 3ix0 n ASP 35 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3ix0 n ASN 36 N 0.51 3.65 -4.11 -1.12 5.15 -1.26 -4.97 115.26 113.11 3ix0 n ASN 36 Ca 0.15 -3.36 -0.34 0.00 -0.60 0.00 0.00 54.58 50.43 3ix0 n ASN 36 Cb 0.34 -0.39 -0.01 0.00 -0.53 0.00 0.00 39.78 39.19 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 -6.81 1.78 -0.20 0.00 2.02 -1.26 -1.08 118.70 113.14 3ix0 s GLU 38 Ca 0.71 -1.18 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 3ix0 s GLU 38 Cb -0.38 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 3ix0 s GLU 38 CO 0.89 0.48 0.01 -0.08 0.02 0.00 0.00 175.26 176.58 3ix0 s THR 39 N -1.13 4.06 0.05 3.63 -1.32 -0.54 -0.46 115.64 119.94 3ix0 s THR 39 Ca 0.18 -0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.42 3ix0 s THR 39 Cb -0.11 -2.84 -0.04 0.00 -1.51 0.00 0.00 72.50 68.01 3ix0 s THR 39 CO 0.10 0.42 -0.03 0.00 -2.21 0.00 0.00 174.62 172.90 3ix0 s THR 41 N -1.16 1.78 -0.25 0.00 2.01 0.77 -0.11 115.64 118.68 3ix0 s THR 41 Ca 0.21 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 3ix0 s THR 41 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3ix0 s THR 41 CO 0.13 0.50 0.36 0.00 -0.69 0.00 0.00 174.62 174.91 3ix0 s TYR 43 N 1.82 2.52 0.20 0.00 1.51 0.78 0.48 117.35 124.65 3ix0 s TYR 43 Ca 0.15 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.69 3ix0 s TYR 43 Cb -0.15 -1.39 0.24 0.00 -0.11 0.00 0.00 41.96 40.55 3ix0 s TYR 43 CO 0.09 0.53 1.72 0.93 -1.11 0.00 0.00 175.55 177.71 3ix0 h GLU 44 N 1.89 0.27 -0.23 -0.62 5.08 -1.96 -3.15 114.58 115.86 3ix0 h GLU 44 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3ix0 h GLU 44 Cb 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ix0 h GLU 44 CO 0.66 0.18 0.00 0.25 -1.00 0.00 0.00 179.01 179.09 3ix0 n THR 45 N -5.09 0.66 -3.51 1.13 -2.24 -1.26 -4.74 114.28 99.23 3ix0 n THR 45 Ca 0.07 -0.83 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 3ix0 n THR 45 Cb 0.28 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 3ix0 n THR 45 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ix0 s GLU 46 N -0.97 0.97 -0.04 -0.78 -1.05 -1.19 -3.09 118.70 112.55 3ix0 s GLU 46 Ca 0.19 -0.04 0.05 0.00 -0.15 0.00 0.00 54.97 55.02 3ix0 s GLU 46 Cb 0.11 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3ix0 s GLU 46 CO 0.15 -0.36 -0.20 0.42 0.95 0.00 0.00 175.26 176.22 3ix0 s ILE 47 N -2.14 2.60 -0.02 1.83 1.01 -0.06 -0.16 121.20 124.25 3ix0 s ILE 47 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3ix0 s ILE 47 Cb -0.01 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 3ix0 s ILE 47 CO -0.01 0.58 -0.12 -0.94 0.00 0.00 0.00 174.94 174.45 3ix0 s SER 48 N -0.58 1.45 -0.08 3.58 1.04 -0.81 -1.33 113.70 116.97 3ix0 s SER 48 Ca 0.08 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.32 3ix0 s SER 48 Cb -0.11 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.77 3ix0 s SER 48 CO 0.01 0.13 -0.17 0.00 0.98 0.00 0.00 173.24 174.18 3ix0 s THR 51 N -1.06 4.04 -1.10 0.00 -1.32 -0.06 -1.46 115.64 114.67 3ix0 s THR 51 Ca 0.12 1.55 0.26 0.00 -1.21 0.00 0.00 61.69 62.41 3ix0 s THR 51 Cb -0.10 -3.80 0.08 0.00 -1.51 0.00 0.00 72.50 67.17 3ix0 s THR 51 CO 0.05 0.00 1.51 0.18 -2.21 0.00 0.00 174.62 174.16 3ix0 n LEU 52 N 0.08 0.49 -4.55 9.08 4.77 -0.24 -4.60 117.00 122.03 3ix0 n LEU 52 Ca 0.04 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 3ix0 n LEU 52 Cb 0.51 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 3ix0 n LEU 52 CO 0.43 0.11 0.10 -0.69 -1.33 0.00 0.00 177.39 176.02 3ix0 s VAL 53 N -2.93 5.12 -0.05 4.08 1.01 -1.26 -4.88 120.40 121.48 3ix0 s VAL 53 Ca 0.13 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3ix0 s VAL 53 Cb 0.18 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3ix0 s VAL 53 CO 0.65 -0.13 1.02 -0.44 0.00 0.00 0.00 175.10 176.20 3ix0 s SER 54 N 1.74 7.27 -0.24 3.32 0.01 -1.26 -4.74 113.70 119.80 3ix0 s SER 54 Ca 0.14 1.63 -0.16 0.00 1.31 0.00 0.00 55.95 58.87 3ix0 s SER 54 Cb -0.16 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 3ix0 s SER 54 CO 0.12 -0.38 0.41 -0.89 0.41 0.00 0.00 173.24 172.90 3ix0 s THR 55 N 1.58 5.16 0.15 1.44 2.01 0.17 -4.35 115.64 121.81 3ix0 s THR 55 Ca 0.51 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 3ix0 s THR 55 Cb -0.20 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.50 3ix0 s THR 55 CO 0.23 0.18 1.04 -2.16 -0.69 0.00 0.00 174.62 173.22 3ix0 s PRO 56 N 1.81 4.64 0.00 4.92 0.04 -1.26 -0.21 135.00 144.94 3ix0 s PRO 56 Ca 0.18 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3ix0 s PRO 56 Cb -0.15 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.07 3ix0 s PRO 56 CO 0.09 0.14 0.01 1.33 0.04 0.00 0.00 177.00 178.62 3ix0 n VAL 57 N 2.52 0.00 -3.71 -0.36 0.24 -0.06 -4.95 118.33 112.02 3ix0 n VAL 57 Ca 0.02 -0.12 -0.37 0.00 -2.04 0.00 0.00 64.34 61.83 3ix0 n VAL 57 Cb 0.47 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.21 2.38 0.05 7.63 0.00 -0.38 -4.91 107.32 111.88 3ix0 s GLY 58 Ca 0.00 -3.08 -0.28 0.00 0.00 0.00 0.00 44.72 41.36 3ix0 s GLY 58 CO 0.00 1.09 1.02 -2.52 0.00 0.00 0.00 173.10 172.69 3ix0 s TYR 59 N 0.26 -0.17 -0.53 1.90 -0.85 -1.26 0.74 117.35 117.44 3ix0 s TYR 59 Ca 0.15 -0.03 -0.27 0.00 -0.52 0.00 0.00 57.07 56.39 3ix0 s TYR 59 Cb -0.21 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.70 3ix0 s TYR 59 CO -0.04 -0.60 1.88 0.34 -1.52 0.00 0.00 175.55 175.61 3ix0 s ASP 60 N -2.77 5.37 0.00 -0.18 -1.08 -1.26 -4.84 116.67 111.92 3ix0 s ASP 60 Ca 0.10 0.64 0.28 0.00 -0.52 0.00 0.00 52.55 53.06 3ix0 s ASP 60 Cb -0.00 -2.53 1.15 0.00 -1.46 0.00 0.00 42.92 40.08 3ix0 s ASP 60 CO -0.02 -2.24 1.86 0.29 0.52 0.00 0.00 175.17 175.58 3ix0 n LYS 61 N 8.97 0.04 0.03 4.34 5.02 -1.26 -1.04 118.16 134.25 3ix0 n LYS 61 Ca 0.22 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.32 3ix0 n LYS 61 Cb 0.51 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.01 0.45 -0.01 4.39 3.32 -2.03 -3.39 116.42 119.17 3ix0 h ASP 62 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 3ix0 h ASP 62 Cb 0.49 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ix0 h ASP 62 CO 0.00 1.31 -0.23 0.59 -1.72 0.00 0.00 179.24 179.19 3ix0 n ASN 63 N -4.19 1.52 -4.21 6.45 3.02 -1.20 -4.96 115.26 111.69 3ix0 n ASN 63 Ca -0.13 -1.26 -0.15 0.00 -0.03 0.00 0.00 54.58 53.02 3ix0 n ASN 63 Cb 0.75 0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 40.22 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 -3.14 0.60 -0.11 0.00 -2.07 0.46 -4.48 119.66 110.91 3ix0 s GLN 65 Ca 0.10 -1.03 -0.05 0.00 -1.82 0.00 0.00 55.36 52.55 3ix0 s GLN 65 Cb -0.01 -0.04 -0.04 0.00 -1.09 0.00 0.00 33.01 31.83 3ix0 s GLN 65 CO 0.00 -0.04 0.10 -0.98 -1.32 0.00 0.00 175.29 173.05 3ix0 s ARG 66 N -2.89 3.33 -0.05 9.60 1.70 -1.26 -0.87 118.95 128.51 3ix0 s ARG 66 Ca 0.00 -0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 3ix0 s ARG 66 Cb -0.00 -3.07 0.02 0.00 -0.57 0.00 0.00 34.95 31.32 3ix0 s ARG 66 CO -0.04 0.73 -0.06 0.42 -1.08 0.00 0.00 175.30 175.27 3ix0 s ILE 67 N -0.92 0.71 -0.24 4.99 1.01 0.18 -4.96 121.20 121.96 3ix0 s ILE 67 Ca 0.14 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.30 3ix0 s ILE 67 Cb -0.12 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.65 3ix0 s ILE 67 CO 0.03 0.27 1.01 0.12 0.00 0.00 0.00 174.94 176.37 3ix0 s PHE 68 N 0.93 3.31 -0.77 3.97 5.36 -1.26 -0.58 117.98 128.94 3ix0 s PHE 68 Ca -0.11 1.38 -0.13 0.00 -0.96 0.00 0.00 56.93 57.11 3ix0 s PHE 68 Cb -0.15 -3.29 0.20 0.00 -0.34 0.00 0.00 43.02 39.45 3ix0 s PHE 68 CO 0.00 -0.50 0.70 0.15 -1.46 0.00 0.00 175.22 174.11 3ix0 s LYS 69 N 3.20 3.42 0.32 10.12 -0.14 0.35 -4.95 119.74 132.05 3ix0 s LYS 69 Ca 0.43 -2.37 0.05 0.00 -1.36 0.00 0.00 55.97 52.72 3ix0 s LYS 69 Cb -0.15 -4.34 0.70 0.00 -1.68 0.00 0.00 37.83 32.36 3ix0 s LYS 69 CO 0.07 -1.28 1.84 -0.22 -0.76 0.00 0.00 175.35 175.00 3ix0 h LYS 70 N 7.86 0.80 0.00 1.68 3.64 -1.95 -0.92 116.57 127.69 3ix0 h LYS 70 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ix0 h LYS 70 Cb 1.04 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3ix0 h LYS 70 CO 0.79 0.53 0.00 -0.85 -2.27 0.00 0.00 179.45 177.65 3ix0 n GLU 71 N -4.62 0.04 0.00 1.90 0.00 -1.26 -0.94 120.64 115.76 3ix0 n GLU 71 Ca 0.19 0.33 0.00 0.00 0.00 0.00 0.00 57.16 57.69 3ix0 n GLU 71 Cb 0.45 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 30.30 3ix0 n GLU 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3ix0 n ASP 72 N -1.66 1.42 -4.15 -1.84 8.00 -0.41 -5.00 116.55 112.91 3ix0 n ASP 72 Ca 0.03 -1.46 -0.30 0.00 0.71 0.00 0.00 54.79 53.77 3ix0 n ASP 72 Cb 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 -6.93 1.15 0.03 0.00 -2.85 -1.15 -4.24 119.74 105.75 3ix0 s LYS 74 Ca 0.15 -1.07 -0.01 0.00 -1.00 0.00 0.00 55.97 54.04 3ix0 s LYS 74 Cb -0.08 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3ix0 s LYS 74 CO 0.94 -0.43 0.18 0.71 0.10 0.00 0.00 175.35 176.85 3ix0 s TYR 75 N -3.93 3.49 0.14 1.78 1.51 -1.26 -0.50 117.35 118.59 3ix0 s TYR 75 Ca 0.13 0.28 0.06 0.00 -1.01 0.00 0.00 57.07 56.53 3ix0 s TYR 75 Cb 0.03 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 3ix0 s TYR 75 CO -0.03 0.61 0.00 0.96 -1.11 0.00 0.00 175.55 175.98 3ix0 s ILE 76 N -1.41 3.86 -0.13 2.71 -4.36 0.25 -4.92 121.20 117.20 3ix0 s ILE 76 Ca 0.31 -1.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 3ix0 s ILE 76 Cb -0.13 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.70 3ix0 s ILE 76 CO 0.23 -0.01 -0.20 -0.69 0.24 0.00 0.00 174.94 174.51 3ix0 s VAL 77 N -1.54 1.89 0.18 8.37 1.01 -1.26 0.47 120.40 129.52 3ix0 s VAL 77 Ca 0.27 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3ix0 s VAL 77 Cb -0.10 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3ix0 s VAL 77 CO 0.18 0.52 0.23 0.68 0.00 0.00 0.00 175.10 176.72 3ix0 s VAL 78 N 0.88 0.05 0.07 2.92 -7.23 -0.05 -0.73 120.40 116.31 3ix0 s VAL 78 Ca -0.07 -1.63 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 3ix0 s VAL 78 Cb -0.15 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 3ix0 s VAL 78 CO -0.02 -0.22 1.27 -1.61 -0.31 0.00 0.00 175.10 174.21 3ix0 s GLU 79 N -4.03 4.38 0.25 4.82 2.02 -0.03 -0.40 118.70 125.72 3ix0 s GLU 79 Ca 0.24 1.88 -0.03 0.00 0.02 0.00 0.00 54.97 57.08 3ix0 s GLU 79 Cb 0.04 -3.33 0.47 0.00 0.10 0.00 0.00 34.13 31.41 3ix0 s GLU 79 CO 0.04 -0.34 1.78 0.87 0.02 0.00 0.00 175.26 177.63 3ix0 h LYS 80 N 6.88 0.65 0.00 1.61 1.57 -1.41 -1.08 116.57 124.78 3ix0 h LYS 80 Ca -0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ix0 h LYS 80 Cb 1.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3ix0 h LYS 80 CO 0.84 0.43 0.00 0.36 -0.57 0.00 0.00 179.45 180.51 3ix0 n LYS 81 N -4.83 0.10 -3.07 3.15 2.85 -1.26 -4.33 118.16 110.77 3ix0 n LYS 81 Ca 0.15 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 3ix0 n LYS 81 Cb 0.37 -1.65 -0.00 0.00 -0.65 0.00 0.00 35.03 33.09 3ix0 n LYS 81 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3ix0 s ASP 82 N -3.61 -1.36 0.00 -5.58 -1.08 -0.71 -5.02 116.67 99.31 3ix0 s ASP 82 Ca 0.09 -0.87 0.06 0.00 -0.52 0.00 0.00 52.55 51.31 3ix0 s ASP 82 Cb 0.13 1.74 0.32 0.00 -1.46 0.00 0.00 42.92 43.65 3ix0 s ASP 82 CO 0.43 -0.13 0.88 -2.65 0.52 0.00 0.00 175.17 174.22 3ix0 n PRO 83 N 4.03 0.15 0.00 4.34 -0.02 -0.49 -0.84 135.00 142.17 3ix0 n PRO 83 Ca 0.12 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3ix0 n PRO 83 Cb 0.58 -1.50 0.52 0.00 -0.02 0.00 0.00 33.50 33.08 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 -1.09 0.08 -3.80 -0.52 5.02 -1.26 -4.71 118.16 111.88 3ix0 n LYS 84 Ca 0.04 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 3ix0 n LYS 84 Cb 0.03 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.41 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 -2.93 3.17 0.46 1.97 1.02 -0.02 -5.05 119.74 118.36 3ix0 s LYS 85 Ca 0.15 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 55.13 3ix0 s LYS 85 Cb 0.19 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 34.12 3ix0 s LYS 85 CO 0.57 -0.38 1.02 0.95 -0.92 0.00 0.00 175.35 176.59 3ix0 s THR 86 N 1.49 3.88 0.21 2.17 -4.23 -1.26 -0.85 115.64 117.06 3ix0 s THR 86 Ca 0.03 1.23 0.04 0.00 -1.18 0.00 0.00 61.69 61.81 3ix0 s THR 86 Cb -0.17 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 3ix0 s THR 86 CO 0.01 -0.20 0.33 0.00 -0.54 0.00 0.00 174.62 174.22 3ix0 s SER 88 N -3.76 7.26 -0.10 0.00 1.04 -1.26 -4.78 113.70 112.10 3ix0 s SER 88 Ca 0.34 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.51 3ix0 s SER 88 Cb -0.10 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 3ix0 s SER 88 CO 0.29 -0.03 -0.20 -0.69 0.98 0.00 0.00 173.24 173.58 3ix0 s VAL 89 N -1.58 2.45 -0.16 5.02 1.01 -1.26 -4.67 120.40 121.21 3ix0 s VAL 89 Ca 0.48 -0.89 0.20 0.00 0.00 0.00 0.00 61.98 61.77 3ix0 s VAL 89 Cb -0.18 -1.97 -0.12 0.00 0.00 0.00 0.00 36.38 34.11 3ix0 s VAL 89 CO 0.23 0.55 0.80 -1.54 0.00 0.00 0.00 175.10 175.14 3ix0 n SER 90 N 3.41 0.65 -3.69 3.32 3.41 0.23 -4.93 113.62 116.02 3ix0 n SER 90 Ca -0.18 0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 3ix0 n SER 90 Cb 0.53 0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 65.04 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 -3.19 0.41 0.29 4.33 2.12 -1.23 -4.93 118.70 116.50 3ix0 s GLU 91 Ca -0.03 0.85 0.12 0.00 0.36 0.00 0.00 54.97 56.27 3ix0 s GLU 91 Cb 0.10 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 3ix0 s GLU 91 CO 0.82 -0.17 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.62 3ix0 s TRP 92 N 1.55 2.33 0.07 5.30 0.52 -1.26 -0.88 118.94 126.57 3ix0 s TRP 92 Ca -0.09 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.74 3ix0 s TRP 92 Cb -0.08 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.16 3ix0 s TRP 92 CO -0.13 0.70 -0.13 0.96 0.02 0.00 0.00 176.95 178.37 3ix0 s ILE 93 N -2.51 1.04 0.00 2.03 -4.36 0.71 -4.93 121.20 113.18 3ix0 s ILE 93 Ca 0.30 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 3ix0 s ILE 93 Cb -0.04 -1.08 0.00 0.00 1.25 0.00 0.00 42.46 42.58 3ix0 s ILE 93 CO 0.15 -0.29 0.06 0.00 0.24 0.00 0.00 174.94 175.10