#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq4 s VAL 8 N 0.00 2.01 0.17 0.52 0.11 -1.26 -5.03 120.40 116.92 1xq4 s VAL 8 Ca 0.00 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 1xq4 s VAL 8 Cb 0.00 -3.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 1xq4 s VAL 8 CO 0.00 0.00 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.22 1xq4 s LYS 9 N -2.27 2.37 0.13 1.54 1.02 -1.26 -4.97 119.74 116.30 1xq4 s LYS 9 Ca 0.57 -1.12 -0.13 0.00 0.02 0.00 0.00 55.97 55.31 1xq4 s LYS 9 Cb -0.46 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1xq4 s LYS 9 CO 0.61 0.45 1.49 -1.00 -0.92 0.00 0.00 175.35 175.98 1xq4 h PRO 10 N 2.74 0.82 -3.91 -1.68 0.13 -1.94 0.32 132.00 128.47 1xq4 h PRO 10 Ca -0.47 -0.37 -0.58 0.00 -0.87 0.00 0.00 66.00 63.70 1xq4 h PRO 10 Cb 1.20 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 1xq4 h PRO 10 CO 0.58 1.00 -0.76 0.71 -0.23 0.00 0.00 178.00 179.30 1xq4 s TYR 11 N -4.57 1.98 -0.17 1.56 2.02 -1.26 -1.83 117.35 115.08 1xq4 s TYR 11 Ca -0.12 -1.69 -0.09 0.00 -0.37 0.00 0.00 57.07 54.80 1xq4 s TYR 11 Cb 0.10 -1.66 0.06 0.00 -0.40 0.00 0.00 41.96 40.07 1xq4 s TYR 11 CO 0.84 -0.80 0.40 0.34 -1.57 0.00 0.00 175.55 174.77 1xq4 s ASP 12 N 1.53 -0.45 -0.05 2.29 2.15 -1.26 -4.92 116.67 115.96 1xq4 s ASP 12 Ca 0.03 0.89 0.05 0.00 0.43 0.00 0.00 52.55 53.95 1xq4 s ASP 12 Cb -0.18 0.84 -0.01 0.00 -0.30 0.00 0.00 42.92 43.28 1xq4 s ASP 12 CO -0.14 -0.20 -0.20 -0.76 -0.17 0.00 0.00 175.17 173.70 1xq4 s LEU 13 N 1.60 1.97 -0.12 -1.34 1.43 -1.26 -0.46 118.68 120.49 1xq4 s LEU 13 Ca -0.08 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1xq4 s LEU 13 Cb -0.09 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1xq4 s LEU 13 CO -0.13 0.19 -0.07 0.42 0.23 0.00 0.00 176.35 176.99 1xq4 s THR 14 N -0.04 3.62 -0.07 5.49 -4.23 0.23 -4.90 115.64 115.74 1xq4 s THR 14 Ca -0.04 -0.47 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 1xq4 s THR 14 Cb -0.12 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1xq4 s THR 14 CO 0.03 0.53 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.79 1xq4 s VAL 15 N 0.00 2.86 -0.04 2.29 1.01 -1.26 0.27 120.40 125.53 1xq4 s VAL 15 Ca -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1xq4 s VAL 15 Cb -0.14 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1xq4 s VAL 15 CO 0.03 0.57 -0.08 -0.94 0.00 0.00 0.00 175.10 174.68 1xq4 s SER 16 N -0.36 1.25 -0.07 3.32 1.04 -0.68 -4.96 113.70 113.25 1xq4 s SER 16 Ca 0.03 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.30 1xq4 s SER 16 Cb -0.12 -0.51 0.01 0.00 0.10 0.00 0.00 66.02 65.49 1xq4 s SER 16 CO 0.02 0.01 -0.14 -0.69 0.98 0.00 0.00 173.24 173.42 1xq4 s VAL 17 N 0.60 1.27 -0.35 5.02 1.01 -1.26 -0.71 120.40 125.98 1xq4 s VAL 17 Ca -0.10 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1xq4 s VAL 17 Cb -0.13 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.21 1xq4 s VAL 17 CO 0.01 0.38 0.07 -0.89 0.00 0.00 0.00 175.10 174.68 1xq4 s THR 18 N 0.54 2.23 0.72 3.92 2.01 -0.81 -4.95 115.64 119.31 1xq4 s THR 18 Ca -0.14 -2.39 -0.11 0.00 0.31 0.00 0.00 61.69 59.36 1xq4 s THR 18 Cb -0.15 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.73 1xq4 s THR 18 CO 0.04 -0.62 1.08 -2.16 -0.69 0.00 0.00 174.62 172.27 1xq4 s PRO 19 N 0.83 2.72 -0.28 4.92 0.04 -1.26 -2.57 135.00 139.39 1xq4 s PRO 19 Ca 0.11 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 1xq4 s PRO 19 Cb -0.20 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.48 1xq4 s PRO 19 CO -0.08 -1.19 0.93 -0.98 0.04 0.00 0.00 177.00 175.73 1xq4 s ARG 20 N -5.19 0.49 0.62 4.56 1.70 -0.72 -4.95 118.95 115.47 1xq4 s ARG 20 Ca 0.59 0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 56.42 1xq4 s ARG 20 Cb -0.13 0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.38 1xq4 s ARG 20 CO 0.54 -0.09 1.14 -0.47 -1.08 0.00 0.00 175.30 175.34 1xq4 s TYR 21 N 1.00 2.54 -0.37 5.89 5.04 -1.26 -0.70 117.35 129.50 1xq4 s TYR 21 Ca -0.05 1.55 0.01 0.00 -2.44 0.00 0.00 57.07 56.14 1xq4 s TYR 21 Cb -0.04 -3.29 0.11 0.00 0.35 0.00 0.00 41.96 39.09 1xq4 s TYR 21 CO -0.12 -1.82 0.13 0.08 -1.34 0.00 0.00 175.55 172.48 1xq4 s VAL 22 N -1.99 1.47 0.19 3.14 1.01 0.16 -4.83 120.40 119.56 1xq4 s VAL 22 Ca 0.71 -2.06 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 1xq4 s VAL 22 Cb -0.24 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1xq4 s VAL 22 CO 0.35 -0.72 1.60 -0.65 0.00 0.00 0.00 175.10 175.68 1xq4 h PRO 23 N 7.51 0.86 0.00 2.72 0.11 -1.91 -2.90 132.00 138.39 1xq4 h PRO 23 Ca -0.08 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1xq4 h PRO 23 Cb 0.98 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1xq4 h PRO 23 CO 0.50 0.99 0.53 0.93 -0.21 0.00 0.00 178.00 180.74 1xq4 h GLU 24 N 0.75 0.00 -0.01 1.05 5.08 -1.97 -1.38 114.58 118.10 1xq4 h GLU 24 Ca 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 1xq4 h GLU 24 Cb 0.76 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.66 1xq4 h GLU 24 CO 0.06 0.00 -0.91 0.00 -1.00 0.00 0.00 179.01 177.16 1xq4 n GLN 25 N -2.62 0.07 -4.37 2.33 10.64 -1.16 -5.10 117.38 117.17 1xq4 n GLN 25 Ca -0.01 -1.88 -0.23 0.00 -1.83 0.00 0.00 57.00 53.05 1xq4 n GLN 25 Cb 0.55 0.03 -0.11 0.00 -0.86 0.00 0.00 30.24 29.86 1xq4 n GLN 25 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1xq4 s SER 26 N -1.89 2.96 -0.40 2.61 0.01 -0.52 -4.70 113.70 111.77 1xq4 s SER 26 Ca 0.28 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1xq4 s SER 26 Cb 0.32 -0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.52 1xq4 s SER 26 CO -0.14 0.00 0.38 -0.62 0.41 0.00 0.00 173.24 173.28 1xq4 s ASP 27 N -2.80 1.22 0.64 2.44 2.15 0.10 -4.92 116.67 115.50 1xq4 s ASP 27 Ca 0.19 -2.32 0.36 0.00 0.43 0.00 0.00 52.55 51.21 1xq4 s ASP 27 Cb -0.06 0.17 2.02 0.00 -0.30 0.00 0.00 42.92 44.75 1xq4 s ASP 27 CO 0.08 -0.20 2.21 1.55 -0.17 0.00 0.00 175.17 178.64 1xq4 h PRO 28 N 6.18 0.00 -0.06 4.34 0.13 -1.94 -0.29 132.00 140.36 1xq4 h PRO 28 Ca 0.14 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1xq4 h PRO 28 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1xq4 h PRO 28 CO 0.25 0.00 0.05 0.77 -0.23 0.00 0.00 178.00 178.84 1xq4 h SER 29 N 0.00 0.00 0.00 1.44 0.02 -1.94 -1.34 113.55 111.73 1xq4 h SER 29 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1xq4 h SER 29 Cb 0.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1xq4 h SER 29 CO -0.00 0.00 -0.17 1.67 -1.14 0.00 0.00 176.83 177.19 1xq4 n GLN 30 N -4.33 1.37 -3.41 3.45 7.27 -0.64 -4.97 117.38 116.13 1xq4 n GLN 30 Ca -0.02 -2.82 -0.20 0.00 0.07 0.00 0.00 57.00 54.04 1xq4 n GLN 30 Cb 0.15 -1.53 0.07 0.00 2.41 0.00 0.00 30.24 31.34 1xq4 n GLN 30 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1xq4 n GLN 31 N -1.32 -6.66 -3.63 3.69 6.02 -0.51 -4.99 117.38 109.99 1xq4 n GLN 31 Ca 0.17 0.70 -0.39 0.00 -0.01 0.00 0.00 57.00 57.47 1xq4 n GLN 31 Cb 0.66 -5.35 -0.08 0.00 1.02 0.00 0.00 30.24 26.48 1xq4 n GLN 31 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xq4 s GLN 32 N -6.05 2.68 -0.23 -1.09 -0.21 -0.21 -4.06 119.66 110.49 1xq4 s GLN 32 Ca 0.46 -2.34 -0.06 0.00 0.02 0.00 0.00 55.36 53.44 1xq4 s GLN 32 Cb -0.20 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 29.91 1xq4 s GLN 32 CO 0.61 -1.19 0.04 0.71 -2.12 0.00 0.00 175.29 173.35 1xq4 s TYR 33 N 0.30 3.06 -0.26 0.91 1.51 0.52 0.00 117.35 123.39 1xq4 s TYR 33 Ca 0.15 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1xq4 s TYR 33 Cb -0.20 -2.18 0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1xq4 s TYR 33 CO -0.04 -0.34 -0.04 0.08 -1.11 0.00 0.00 175.55 174.09 1xq4 s VAL 34 N 1.43 2.96 0.31 0.71 1.01 -1.26 0.32 120.40 125.87 1xq4 s VAL 34 Ca 0.05 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1xq4 s VAL 34 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1xq4 s VAL 34 CO 0.02 0.14 0.20 -0.36 0.00 0.00 0.00 175.10 175.10 1xq4 s PHE 35 N 1.32 2.89 -0.10 5.22 0.40 -0.60 -0.67 117.98 126.45 1xq4 s PHE 35 Ca -0.01 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1xq4 s PHE 35 Cb -0.17 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 41.79 1xq4 s PHE 35 CO -0.03 0.35 0.01 0.00 0.70 0.00 0.00 175.22 176.25 1xq4 s ALA 36 N -2.29 0.74 -0.12 5.36 0.00 0.13 -1.21 121.76 124.36 1xq4 s ALA 36 Ca 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1xq4 s ALA 36 Cb -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1xq4 s ALA 36 CO 0.25 -0.61 0.00 1.52 0.00 0.00 0.00 175.76 176.92 1xq4 s TYR 37 N 1.96 3.14 -0.19 0.00 1.13 -0.57 -1.75 117.35 121.08 1xq4 s TYR 37 Ca 0.04 0.06 -0.05 0.00 -1.41 0.00 0.00 57.07 55.71 1xq4 s TYR 37 Cb -0.13 -1.88 -0.03 0.00 -1.10 0.00 0.00 41.96 38.83 1xq4 s TYR 37 CO -0.06 0.30 -0.00 0.99 -2.51 0.00 0.00 175.55 174.27 1xq4 s THR 38 N -0.38 3.99 -0.05 -3.49 2.01 -1.06 -1.53 115.64 115.13 1xq4 s THR 38 Ca 0.07 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1xq4 s THR 38 Cb -0.12 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 1xq4 s THR 38 CO 0.02 0.44 0.13 -0.69 -0.69 0.00 0.00 174.62 173.83 1xq4 s VAL 39 N 0.82 5.18 -0.30 3.82 1.01 0.21 -1.93 120.40 129.21 1xq4 s VAL 39 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1xq4 s VAL 39 Cb -0.14 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.00 1xq4 s VAL 39 CO 0.02 0.44 0.09 -0.13 0.00 0.00 0.00 175.10 175.52 1xq4 s ARG 40 N -1.53 0.71 -0.12 2.72 0.52 0.11 -2.13 118.95 119.23 1xq4 s ARG 40 Ca 0.21 -1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 54.23 1xq4 s ARG 40 Cb -0.12 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1xq4 s ARG 40 CO 0.12 -0.96 0.43 0.42 0.02 0.00 0.00 175.30 175.32 1xq4 s ILE 41 N 1.64 5.20 -0.06 1.52 1.01 0.18 -1.68 121.20 129.00 1xq4 s ILE 41 Ca 0.09 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1xq4 s ILE 41 Cb -0.17 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1xq4 s ILE 41 CO -0.24 0.37 -0.05 -0.89 0.00 0.00 0.00 174.94 174.13 1xq4 s THR 42 N 0.41 0.64 -0.42 2.92 2.01 0.14 -0.94 115.64 120.40 1xq4 s THR 42 Ca 0.23 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 1xq4 s THR 42 Cb -0.15 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.70 1xq4 s THR 42 CO 0.09 0.27 1.32 0.21 -0.69 0.00 0.00 174.62 175.82 1xq4 s ASN 43 N 1.25 6.46 0.00 3.53 3.04 -0.76 0.78 114.94 129.24 1xq4 s ASN 43 Ca -0.05 0.78 0.11 0.00 0.04 0.00 0.00 52.86 53.73 1xq4 s ASN 43 Cb -0.14 -2.54 0.27 0.00 -1.54 0.00 0.00 41.25 37.30 1xq4 s ASN 43 CO -0.02 -1.34 1.18 0.35 -3.04 0.00 0.00 177.10 174.23 1xq4 n THR 44 N 6.90 0.80 -2.87 -5.21 -2.24 0.39 0.34 114.28 112.39 1xq4 n THR 44 Ca 0.15 -0.90 -0.20 0.00 -2.27 0.00 0.00 64.05 60.83 1xq4 n THR 44 Cb 0.48 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1xq4 n THR 44 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xq4 s GLY 45 N -0.99 1.79 0.02 3.38 0.00 -0.51 -4.66 107.32 106.36 1xq4 s GLY 45 Ca 0.22 -1.86 0.29 0.00 0.00 0.00 0.00 44.72 43.36 1xq4 s GLY 45 CO 0.16 -1.44 1.89 -1.14 0.00 0.00 0.00 173.10 172.57 1xq4 n SER 46 N -2.33 0.10 -4.38 1.64 3.41 0.11 -4.58 113.62 107.58 1xq4 n SER 46 Ca 0.13 0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 59.02 1xq4 n SER 46 Cb 0.61 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 1xq4 n SER 46 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xq4 s HIS 47 N -3.01 1.81 0.69 7.33 3.76 -0.76 -4.83 115.29 120.28 1xq4 s HIS 47 Ca 0.14 -0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 54.22 1xq4 s HIS 47 Cb 0.18 -0.97 0.02 0.00 1.11 0.00 0.00 32.58 32.92 1xq4 s HIS 47 CO 0.54 0.26 1.13 -2.14 -0.85 0.00 0.00 174.74 173.69 1xq4 s PRO 48 N -3.72 2.55 0.05 8.40 0.02 -1.26 -4.32 135.00 136.72 1xq4 s PRO 48 Ca 0.27 1.47 -0.17 0.00 0.02 0.00 0.00 61.00 62.58 1xq4 s PRO 48 Cb 0.02 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.66 1xq4 s PRO 48 CO 0.10 -1.46 0.39 0.00 -0.33 0.00 0.00 177.00 175.70 1xq4 s ALA 49 N -2.30 -0.94 0.03 -1.55 0.00 -0.84 -2.33 121.76 113.82 1xq4 s ALA 49 Ca 0.68 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.95 1xq4 s ALA 49 Cb -0.22 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1xq4 s ALA 49 CO 0.44 -0.45 -0.23 -1.14 0.00 0.00 0.00 175.76 174.38 1xq4 s GLN 50 N -2.53 1.62 -0.14 0.00 0.74 0.74 0.12 119.66 120.21 1xq4 s GLN 50 Ca -0.05 -0.95 -0.19 0.00 0.05 0.00 0.00 55.36 54.22 1xq4 s GLN 50 Cb -0.01 -1.70 -0.04 0.00 1.10 0.00 0.00 33.01 32.36 1xq4 s GLN 50 CO -0.03 0.45 0.53 0.08 -0.55 0.00 0.00 175.29 175.76 1xq4 s VAL 51 N -0.72 5.14 0.00 1.34 1.01 -0.90 -0.87 120.40 125.40 1xq4 s VAL 51 Ca 0.09 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1xq4 s VAL 51 Cb -0.09 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1xq4 s VAL 51 CO 0.01 0.27 0.00 -0.38 0.00 0.00 0.00 175.10 175.00 1xq4 n ILE 52 N 3.96 0.00 -4.51 2.22 2.08 0.70 -4.07 119.36 119.74 1xq4 n ILE 52 Ca -0.05 0.27 -0.27 0.00 0.56 0.00 0.00 62.75 63.25 1xq4 n ILE 52 Cb 0.51 -1.24 -0.10 0.00 -0.75 0.00 0.00 39.64 38.06 1xq4 n ILE 52 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1xq4 s SER 53 N -3.04 4.00 -0.00 4.38 1.04 -0.85 0.18 113.70 119.41 1xq4 s SER 53 Ca 0.00 -1.31 0.03 0.00 0.48 0.00 0.00 55.95 55.15 1xq4 s SER 53 Cb 0.00 -0.41 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1xq4 s SER 53 CO 0.00 -0.47 -0.09 0.00 0.98 0.00 0.00 173.24 173.65 1xq4 s ARG 54 N -3.75 0.74 -0.06 4.02 1.70 -1.06 -0.34 118.95 120.18 1xq4 s ARG 54 Ca 0.36 -0.38 0.03 0.00 -0.47 0.00 0.00 55.73 55.27 1xq4 s ARG 54 Cb 0.09 -0.70 0.01 0.00 -0.57 0.00 0.00 34.95 33.77 1xq4 s ARG 54 CO 0.19 0.19 -0.15 -1.58 -1.08 0.00 0.00 175.30 172.87 1xq4 s HIS 55 N -0.33 1.69 -0.00 5.89 2.46 0.25 -2.66 115.29 122.58 1xq4 s HIS 55 Ca 0.03 -0.60 0.05 0.00 0.47 0.00 0.00 55.06 55.01 1xq4 s HIS 55 Cb -0.04 -1.19 -0.01 0.00 -0.13 0.00 0.00 32.58 31.21 1xq4 s HIS 55 CO -0.00 -0.27 -0.17 -1.58 -2.47 0.00 0.00 174.74 170.25 1xq4 s TRP 56 N 0.45 1.52 -0.27 3.88 0.23 0.22 -0.16 118.94 124.81 1xq4 s TRP 56 Ca -0.13 -0.30 -0.01 0.00 -2.03 0.00 0.00 56.10 53.64 1xq4 s TRP 56 Cb -0.15 -0.96 0.08 0.00 0.03 0.00 0.00 33.47 32.47 1xq4 s TRP 56 CO 0.04 -0.01 0.05 0.42 0.96 0.00 0.00 176.95 178.41 1xq4 s ILE 57 N -0.48 1.00 -0.24 2.03 1.01 0.11 -1.98 121.20 122.65 1xq4 s ILE 57 Ca 0.06 -1.21 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 1xq4 s ILE 57 Cb -0.07 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1xq4 s ILE 57 CO -0.00 -0.44 0.06 0.27 0.00 0.00 0.00 174.94 174.83 1xq4 s ILE 58 N 1.59 4.36 -0.06 2.92 -4.36 -0.36 -1.85 121.20 123.45 1xq4 s ILE 58 Ca 0.04 -0.16 -0.03 0.00 -0.26 0.00 0.00 60.65 60.24 1xq4 s ILE 58 Cb -0.18 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 1xq4 s ILE 58 CO -0.16 0.36 0.09 0.42 0.24 0.00 0.00 174.94 175.88 1xq4 s THR 59 N 1.39 4.89 0.75 8.37 -4.23 -0.49 -1.02 115.64 125.31 1xq4 s THR 59 Ca 0.05 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.27 1xq4 s THR 59 Cb -0.15 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1xq4 s THR 59 CO 0.03 0.49 1.12 -0.62 -0.54 0.00 0.00 174.62 175.10 1xq4 s ASP 60 N -1.35 4.91 0.09 3.99 2.15 -0.49 -2.57 116.67 123.41 1xq4 s ASP 60 Ca 0.19 0.88 0.17 0.00 0.43 0.00 0.00 52.55 54.21 1xq4 s ASP 60 Cb -0.12 -1.51 0.71 0.00 -0.30 0.00 0.00 42.92 41.70 1xq4 s ASP 60 CO 0.09 -1.64 1.52 0.61 -0.17 0.00 0.00 175.17 175.57 1xq4 n GLY 61 N -3.14 -1.05 0.62 2.66 0.00 -0.97 -1.87 105.19 101.44 1xq4 n GLY 61 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1xq4 n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xq4 n GLU 62 N -1.75 2.13 -2.08 1.61 -0.58 -1.26 -4.96 120.64 113.75 1xq4 n GLU 62 Ca 0.03 -2.82 -0.12 0.00 -0.42 0.00 0.00 57.16 53.82 1xq4 n GLU 62 Cb 0.17 -1.71 -0.01 0.00 -0.57 0.00 0.00 31.44 29.32 1xq4 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1xq4 n GLU 63 N -0.95 -0.97 -3.15 3.49 4.07 -0.78 -4.99 120.64 117.36 1xq4 n GLU 63 Ca 0.21 0.66 -0.44 0.00 -0.06 0.00 0.00 57.16 57.53 1xq4 n GLU 63 Cb 0.81 -4.82 -0.06 0.00 -0.06 0.00 0.00 31.44 27.31 1xq4 n GLU 63 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1xq4 s ARG 64 N -4.35 3.11 0.35 5.31 0.52 -1.26 -4.76 118.95 117.87 1xq4 s ARG 64 Ca 0.00 -0.96 -0.25 0.00 -0.52 0.00 0.00 55.73 54.00 1xq4 s ARG 64 Cb 0.00 -4.12 -0.10 0.00 0.52 0.00 0.00 34.95 31.25 1xq4 s ARG 64 CO 0.00 -1.27 0.95 0.08 0.02 0.00 0.00 175.30 175.08 1xq4 s VAL 65 N 2.64 4.23 -0.01 3.52 1.01 -1.26 -1.39 120.40 129.14 1xq4 s VAL 65 Ca 0.14 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1xq4 s VAL 65 Cb -0.20 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1xq4 s VAL 65 CO 0.11 0.03 0.02 -1.10 0.00 0.00 0.00 175.10 174.17 1xq4 s GLN 66 N -2.32 0.03 0.07 2.72 -0.21 -0.19 -4.99 119.66 114.76 1xq4 s GLN 66 Ca 0.53 0.03 0.08 0.00 0.02 0.00 0.00 55.36 56.03 1xq4 s GLN 66 Cb -0.17 0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.82 1xq4 s GLN 66 CO 0.21 -0.01 -0.22 -1.21 -2.12 0.00 0.00 175.29 171.95 1xq4 s GLU 67 N 0.03 1.32 -0.03 2.91 2.02 -1.26 -1.23 118.70 122.46 1xq4 s GLU 67 Ca -0.00 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 53.95 1xq4 s GLU 67 Cb -0.00 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.70 1xq4 s GLU 67 CO -0.00 0.38 -0.12 0.08 0.02 0.00 0.00 175.26 175.62 1xq4 s VAL 68 N -0.95 1.00 0.00 2.63 1.01 -0.84 -5.00 120.40 118.25 1xq4 s VAL 68 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1xq4 s VAL 68 Cb -0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1xq4 s VAL 68 CO 0.03 0.30 -0.01 -0.13 0.00 0.00 0.00 175.10 175.29 1xq4 s ARG 69 N 0.18 0.09 0.03 2.72 0.52 -1.26 -0.61 118.95 120.62 1xq4 s ARG 69 Ca -0.04 -0.13 -0.07 0.00 -0.52 0.00 0.00 55.73 54.97 1xq4 s ARG 69 Cb -0.10 -0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.37 1xq4 s ARG 69 CO 0.01 0.00 0.31 0.41 0.02 0.00 0.00 175.30 176.05 1xq4 n GLY 70 N 2.79 0.85 3.52 -3.53 0.00 -1.09 -5.04 105.19 102.70 1xq4 n GLY 70 Ca -0.14 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 1xq4 n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xq4 s LEU 71 N 0.00 2.95 0.33 0.99 1.43 -1.26 -2.55 118.68 120.57 1xq4 s LEU 71 Ca 0.07 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1xq4 s LEU 71 Cb -0.01 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1xq4 s LEU 71 CO 0.01 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1xq4 n GLY 72 N 2.36 -2.29 3.18 -3.19 0.00 0.47 -4.69 105.19 101.03 1xq4 n GLY 72 Ca -0.18 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 1xq4 n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xq4 s VAL 73 N -2.69 2.48 -1.22 1.61 -7.23 0.81 -4.59 120.40 109.57 1xq4 s VAL 73 Ca 0.00 -0.86 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 1xq4 s VAL 73 Cb 0.00 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1xq4 s VAL 73 CO 0.00 0.46 0.70 0.55 -0.31 0.00 0.00 175.10 176.50 1xq4 n VAL 74 N 4.66 -5.19 -1.64 1.32 3.14 -1.26 -2.14 118.33 117.22 1xq4 n VAL 74 Ca -0.20 -0.80 -0.19 0.00 -2.96 0.00 0.00 64.34 60.19 1xq4 n VAL 74 Cb 0.50 -4.00 -0.07 0.00 -1.06 0.00 0.00 33.84 29.21 1xq4 n VAL 74 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xq4 n GLY 75 N -1.70 1.56 3.19 7.55 0.00 -1.26 -4.98 105.19 109.55 1xq4 n GLY 75 Ca -0.18 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1xq4 n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xq4 s GLN 76 N -3.76 0.89 -0.44 1.61 -1.52 -0.91 -5.05 119.66 110.47 1xq4 s GLN 76 Ca 0.00 -1.24 0.05 0.00 -1.95 0.00 0.00 55.36 52.22 1xq4 s GLN 76 Cb 0.00 0.28 0.19 0.00 -0.22 0.00 0.00 33.01 33.27 1xq4 s GLN 76 CO 0.00 -0.26 0.42 1.04 -0.25 0.00 0.00 175.29 176.23 1xq4 n GLN 77 N -0.07 0.57 -1.99 2.91 6.02 -1.26 -0.13 117.38 123.43 1xq4 n GLN 77 Ca -0.10 -3.37 -0.41 0.00 -0.01 0.00 0.00 57.00 53.11 1xq4 n GLN 77 Cb 0.63 -1.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 1xq4 n GLN 77 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xq4 s PRO 78 N -0.49 4.25 -0.56 -1.09 0.04 -1.26 -4.58 135.00 131.31 1xq4 s PRO 78 Ca 0.33 2.34 -0.18 0.00 0.04 0.00 0.00 61.00 63.53 1xq4 s PRO 78 Cb 0.07 -3.07 0.10 0.00 0.04 0.00 0.00 34.50 31.64 1xq4 s PRO 78 CO -0.17 -0.40 0.63 -1.17 0.04 0.00 0.00 177.00 175.93 1xq4 s LEU 79 N -0.97 5.50 -0.19 -3.56 0.20 -1.26 -2.11 118.68 116.30 1xq4 s LEU 79 Ca 0.56 -1.42 -0.20 0.00 0.69 0.00 0.00 54.13 53.76 1xq4 s LEU 79 Cb -0.43 -2.30 -0.03 0.00 -0.43 0.00 0.00 46.19 43.01 1xq4 s LEU 79 CO 0.49 -1.00 0.60 -0.76 -0.29 0.00 0.00 176.35 175.39 1xq4 s LEU 80 N 2.39 4.16 0.64 -0.68 1.43 0.12 -4.87 118.68 121.87 1xq4 s LEU 80 Ca 0.10 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 1xq4 s LEU 80 Cb -0.25 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1xq4 s LEU 80 CO 0.06 -0.23 1.08 0.00 0.23 0.00 0.00 176.35 177.49 1xq4 s ALA 81 N 1.73 2.61 0.11 4.21 0.00 -1.26 -1.98 121.76 127.18 1xq4 s ALA 81 Ca 0.28 0.38 -0.33 0.00 0.00 0.00 0.00 51.96 52.29 1xq4 s ALA 81 Cb -0.16 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 1xq4 s ALA 81 CO 0.11 -1.08 1.70 -0.35 0.00 0.00 0.00 175.76 176.14 1xq4 n PRO 82 N -2.43 2.33 0.00 0.00 -0.04 -1.26 -1.64 135.00 131.96 1xq4 n PRO 82 Ca 0.09 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1xq4 n PRO 82 Cb 0.53 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1xq4 n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xq4 n GLY 83 N 3.82 3.45 3.92 0.55 0.00 0.15 -5.02 105.19 112.07 1xq4 n GLY 83 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1xq4 n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xq4 s GLU 84 N -0.90 2.75 0.16 1.61 -1.05 -0.65 -4.77 118.70 115.85 1xq4 s GLU 84 Ca 0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 54.97 54.83 1xq4 s GLU 84 Cb 0.00 -2.24 -0.05 0.00 -0.44 0.00 0.00 34.13 31.41 1xq4 s GLU 84 CO 0.00 -0.84 -0.11 0.95 0.95 0.00 0.00 175.26 176.21 1xq4 s THR 85 N -3.07 1.34 -0.04 1.83 -4.23 -1.26 -1.82 115.64 108.39 1xq4 s THR 85 Ca 0.56 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1xq4 s THR 85 Cb -0.11 -1.91 0.03 0.00 1.34 0.00 0.00 72.50 71.85 1xq4 s THR 85 CO 0.45 -0.70 0.04 0.12 -0.54 0.00 0.00 174.62 174.00 1xq4 s PHE 86 N -3.22 0.11 -0.02 3.99 2.19 -0.12 -4.99 117.98 115.92 1xq4 s PHE 86 Ca 0.19 0.18 -0.01 0.00 0.33 0.00 0.00 56.93 57.62 1xq4 s PHE 86 Cb 0.02 -0.44 0.02 0.00 -1.31 0.00 0.00 43.02 41.30 1xq4 s PHE 86 CO 0.02 -0.17 0.03 -1.83 1.83 0.00 0.00 175.22 175.11 1xq4 s GLU 87 N 1.81 0.01 0.20 10.12 -1.05 -1.26 -0.65 118.70 127.87 1xq4 s GLU 87 Ca 0.01 0.12 -0.02 0.00 -0.15 0.00 0.00 54.97 54.93 1xq4 s GLU 87 Cb -0.12 -0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.43 1xq4 s GLU 87 CO -0.03 -0.08 0.14 1.52 0.95 0.00 0.00 175.26 177.76 1xq4 s TYR 88 N 0.51 1.10 -0.03 4.83 -0.85 -0.91 -4.97 117.35 117.03 1xq4 s TYR 88 Ca -0.04 -1.34 0.01 0.00 -0.52 0.00 0.00 57.07 55.18 1xq4 s TYR 88 Cb -0.06 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.78 1xq4 s TYR 88 CO -0.02 -0.64 -0.04 0.95 -1.52 0.00 0.00 175.55 174.28 1xq4 s THR 89 N -4.14 0.44 0.30 -3.49 -4.23 -1.26 0.68 115.64 103.94 1xq4 s THR 89 Ca 0.37 -0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.84 1xq4 s THR 89 Cb 0.07 -0.47 -0.06 0.00 1.34 0.00 0.00 72.50 73.38 1xq4 s THR 89 CO 0.11 0.19 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.81 1xq4 s SER 90 N 0.78 2.73 0.21 3.99 0.15 -0.58 -4.96 113.70 116.01 1xq4 s SER 90 Ca -0.10 -1.26 0.02 0.00 0.70 0.00 0.00 55.95 55.32 1xq4 s SER 90 Cb -0.13 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1xq4 s SER 90 CO -0.00 -0.43 0.36 -0.83 1.20 0.00 0.00 173.24 173.55 1xq4 s GLY 91 N -3.47 1.58 -0.21 9.45 0.00 -1.26 -1.51 107.32 111.89 1xq4 s GLY 91 Ca 0.32 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.99 1xq4 s GLY 91 CO 0.13 -0.98 0.13 0.00 0.00 0.00 0.00 173.10 172.38 1xq4 s PRO 93 N 2.17 4.16 -0.03 0.00 0.04 -1.26 -1.56 135.00 138.51 1xq4 s PRO 93 Ca 0.05 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 61.73 1xq4 s PRO 93 Cb -0.16 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1xq4 s PRO 93 CO -0.18 0.37 0.26 -0.51 0.04 0.00 0.00 177.00 176.98 1xq4 s LEU 94 N -2.14 1.03 0.00 -3.56 1.43 0.15 -5.00 118.68 110.59 1xq4 s LEU 94 Ca 0.44 0.15 0.27 0.00 -1.03 0.00 0.00 54.13 53.96 1xq4 s LEU 94 Cb -0.15 1.05 0.96 0.00 0.03 0.00 0.00 46.19 48.08 1xq4 s LEU 94 CO 0.20 -0.34 1.70 -0.81 0.23 0.00 0.00 176.35 177.33 1xq4 n PRO 95 N 1.75 0.84 -4.38 1.29 -0.04 -1.26 -0.35 135.00 132.86 1xq4 n PRO 95 Ca -0.20 -0.43 -0.26 0.00 -0.04 0.00 0.00 63.50 62.58 1xq4 n PRO 95 Cb 0.56 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 1xq4 n PRO 95 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xq4 s THR 96 N -2.45 2.15 -0.49 0.52 -4.23 -1.26 -4.66 115.64 105.22 1xq4 s THR 96 Ca 0.27 -1.91 0.23 0.00 -1.18 0.00 0.00 61.69 59.10 1xq4 s THR 96 Cb 0.20 -1.98 0.24 0.00 1.34 0.00 0.00 72.50 72.30 1xq4 s THR 96 CO 0.49 -0.13 1.70 -0.81 -0.54 0.00 0.00 174.62 175.33 1xq4 n PRO 97 N 0.46 0.18 -4.13 3.99 -0.04 -1.26 -4.77 135.00 129.43 1xq4 n PRO 97 Ca -0.14 0.43 -0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1xq4 n PRO 97 Cb 0.55 -1.86 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 1xq4 n PRO 97 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1xq4 s ILE 98 N -3.32 0.71 -0.08 0.52 -4.36 -1.26 -4.15 121.20 109.26 1xq4 s ILE 98 Ca 0.04 -1.52 -0.32 0.00 -0.26 0.00 0.00 60.65 58.59 1xq4 s ILE 98 Cb 0.09 -1.18 0.14 0.00 1.25 0.00 0.00 42.46 42.76 1xq4 s ILE 98 CO 0.38 -0.59 1.41 -0.83 0.24 0.00 0.00 174.94 175.54 1xq4 s GLY 99 N -2.31 -0.44 0.00 6.27 0.00 0.85 -2.30 107.32 109.40 1xq4 s GLY 99 Ca 0.02 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.53 1xq4 s GLY 99 CO -0.01 1.24 0.00 -1.30 0.00 0.00 0.00 173.10 173.03 1xq4 n THR 100 N -0.58 0.00 0.00 0.90 -2.24 -1.06 0.83 114.28 112.14 1xq4 n THR 100 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1xq4 n THR 100 Cb 0.63 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1xq4 n THR 100 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xq4 n ARG 102 N -0.00 0.00 -0.83 -0.78 1.85 -0.77 -1.39 116.66 114.74 1xq4 n ARG 102 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1xq4 n ARG 102 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1xq4 n ARG 102 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xq4 n GLY 103 N -0.86 1.52 3.00 2.89 0.00 -1.02 0.06 105.19 110.77 1xq4 n GLY 103 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1xq4 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xq4 s THR 104 N -2.52 0.02 -0.13 2.61 2.01 0.78 -0.39 115.64 118.01 1xq4 s THR 104 Ca 0.00 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1xq4 s THR 104 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1xq4 s THR 104 CO 0.00 -0.08 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.46 1xq4 s TYR 105 N -0.24 2.94 -0.26 4.92 2.02 -0.97 0.87 117.35 126.63 1xq4 s TYR 105 Ca -0.03 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.18 1xq4 s TYR 105 Cb -0.02 -1.88 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1xq4 s TYR 105 CO 0.00 -0.05 0.19 -1.01 -1.57 0.00 0.00 175.55 173.11 1xq4 s HIS 106 N 0.20 3.27 0.45 2.71 3.76 0.53 -1.90 115.29 124.32 1xq4 s HIS 106 Ca -0.04 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 1xq4 s HIS 106 Cb -0.14 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1xq4 s HIS 106 CO 0.04 -0.06 0.09 0.00 -0.85 0.00 0.00 174.74 173.96 1xq4 s VAL 108 N -3.08 -0.02 0.89 0.00 -7.23 -0.05 -1.31 120.40 109.59 1xq4 s VAL 108 Ca 0.16 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.27 1xq4 s VAL 108 Cb 0.02 -0.47 0.12 0.00 0.56 0.00 0.00 36.38 36.61 1xq4 s VAL 108 CO 0.10 0.02 1.13 -0.83 -0.31 0.00 0.00 175.10 175.21 1xq4 s GLY 109 N 0.71 1.59 0.43 2.32 0.00 -1.02 -0.19 107.32 111.15 1xq4 s GLY 109 Ca -0.04 -0.45 0.30 0.00 0.00 0.00 0.00 44.72 44.52 1xq4 s GLY 109 CO -0.05 0.08 1.88 1.05 0.00 0.00 0.00 173.10 176.07 1xq4 h GLU 110 N -1.42 0.00 -0.29 2.90 4.11 -1.81 -0.32 114.58 117.75 1xq4 h GLU 110 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1xq4 h GLU 110 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1xq4 h GLU 110 CO 0.61 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.96 1xq4 n ASN 111 N -2.69 1.15 0.00 3.06 6.94 -1.26 -4.90 115.26 117.55 1xq4 n ASN 111 Ca 0.01 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1xq4 n ASN 111 Cb 0.24 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1xq4 n ASN 111 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xq4 n GLY 112 N 0.69 2.57 3.68 4.83 0.00 -0.13 -4.99 105.19 111.84 1xq4 n GLY 112 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1xq4 n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xq4 s ILE 113 N -0.59 3.61 0.72 -0.61 -4.36 -1.26 -4.66 121.20 114.06 1xq4 s ILE 113 Ca 0.00 0.90 -0.11 0.00 -0.26 0.00 0.00 60.65 61.19 1xq4 s ILE 113 Cb 0.00 -3.58 0.03 0.00 1.25 0.00 0.00 42.46 40.16 1xq4 s ILE 113 CO 0.00 -0.04 1.07 -2.16 0.24 0.00 0.00 174.94 174.06 1xq4 s PRO 114 N 3.14 2.65 0.10 0.37 0.04 -1.26 -2.44 135.00 137.60 1xq4 s PRO 114 Ca 0.68 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 1xq4 s PRO 114 Cb -0.32 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.33 1xq4 s PRO 114 CO 0.27 -1.33 0.56 -0.59 0.04 0.00 0.00 177.00 175.96 1xq4 s PHE 115 N -2.95 -0.48 -0.10 0.56 -0.12 -0.43 -4.92 117.98 109.54 1xq4 s PHE 115 Ca 0.60 0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 57.85 1xq4 s PHE 115 Cb -0.16 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 1xq4 s PHE 115 CO 0.55 -0.75 -0.03 -1.21 -0.05 0.00 0.00 175.22 173.72 1xq4 s GLU 116 N -3.16 3.14 -0.35 1.99 2.02 -1.26 -1.01 118.70 120.07 1xq4 s GLU 116 Ca -0.02 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.51 1xq4 s GLU 116 Cb -0.00 -2.78 0.10 0.00 0.10 0.00 0.00 34.13 31.55 1xq4 s GLU 116 CO -0.08 0.54 0.08 0.54 0.02 0.00 0.00 175.26 176.37 1xq4 s VAL 117 N -0.46 2.60 0.47 2.63 0.11 -0.80 -4.99 120.40 119.97 1xq4 s VAL 117 Ca 0.07 -2.16 -0.23 0.00 -2.93 0.00 0.00 61.98 56.73 1xq4 s VAL 117 Cb -0.12 -2.83 -0.07 0.00 -1.53 0.00 0.00 36.38 31.83 1xq4 s VAL 117 CO 0.02 -0.56 1.24 -2.16 -3.33 0.00 0.00 175.10 170.31 1xq4 s PRO 118 N 1.00 3.64 -0.37 1.54 0.04 -1.26 -2.29 135.00 137.30 1xq4 s PRO 118 Ca 0.08 1.97 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1xq4 s PRO 118 Cb -0.20 -2.44 0.07 0.00 0.04 0.00 0.00 34.50 31.97 1xq4 s PRO 118 CO -0.06 -0.70 0.15 0.42 0.04 0.00 0.00 177.00 176.85 1xq4 s ILE 119 N -1.42 3.61 0.17 0.56 1.01 0.47 -4.89 121.20 120.71 1xq4 s ILE 119 Ca 0.64 -1.51 -0.33 0.00 0.00 0.00 0.00 60.65 59.45 1xq4 s ILE 119 Cb -0.34 -3.21 -0.15 0.00 0.01 0.00 0.00 42.46 38.77 1xq4 s ILE 119 CO 0.41 -0.39 1.26 0.00 0.00 0.00 0.00 174.94 176.21 1xq4 n ALA 120 N 4.74 -0.31 -1.80 9.38 0.00 -1.26 -2.44 120.51 128.83 1xq4 n ALA 120 Ca -0.09 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 1xq4 n ALA 120 Cb 0.43 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1xq4 n ALA 120 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xq4 s GLU 121 N -0.21 4.16 0.35 0.00 2.12 -1.26 -4.75 118.70 119.11 1xq4 s GLU 121 Ca 0.74 2.48 0.09 0.00 0.36 0.00 0.00 54.97 58.64 1xq4 s GLU 121 Cb -0.81 -3.66 -0.07 0.00 0.26 0.00 0.00 34.13 29.85 1xq4 s GLU 121 CO 0.50 -0.81 -0.08 -0.59 -0.54 0.00 0.00 175.26 173.74 1xq4 s PHE 122 N 2.89 2.38 0.18 5.30 -0.71 -1.26 -4.99 117.98 121.76 1xq4 s PHE 122 Ca 0.79 -0.54 -0.07 0.00 -1.04 0.00 0.00 56.93 56.07 1xq4 s PHE 122 Cb -0.43 -1.41 -0.06 0.00 -1.21 0.00 0.00 43.02 39.91 1xq4 s PHE 122 CO 0.35 0.54 0.44 -0.51 -1.34 0.00 0.00 175.22 174.70 1xq4 s LEU 123 N -3.61 4.23 -0.08 -1.99 1.43 -1.26 -4.36 118.68 113.03 1xq4 s LEU 123 Ca 0.33 0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1xq4 s LEU 123 Cb 0.04 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.82 1xq4 s LEU 123 CO 0.16 0.00 -0.04 -0.76 0.23 0.00 0.00 176.35 175.94 1xq4 s LEU 124 N -2.73 1.02 0.00 1.79 1.02 0.24 -4.83 118.68 115.20 1xq4 s LEU 124 Ca 0.44 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.40 1xq4 s LEU 124 Cb -0.12 -0.60 0.00 0.00 0.02 0.00 0.00 46.19 45.49 1xq4 s LEU 124 CO 0.23 -0.12 0.00 0.00 0.02 0.00 0.00 176.35 176.48 1xq4 n ALA 125 N 4.75 0.00 1.71 4.21 0.00 -1.26 -0.10 120.51 129.82 1xq4 n ALA 125 Ca -0.14 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1xq4 n ALA 125 Cb 0.50 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.66 1xq4 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15