#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq4 n VAL 8 N 0.00 -2.43 -1.33 0.52 3.14 -1.26 -4.96 118.33 112.00 1xq4 n VAL 8 Ca 0.00 0.40 -0.30 0.00 -2.96 0.00 0.00 64.34 61.48 1xq4 n VAL 8 Cb 0.00 -3.12 0.12 0.00 -1.06 0.00 0.00 33.84 29.78 1xq4 n VAL 8 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1xq4 s LYS 9 N -1.34 1.64 -0.02 1.45 1.02 -1.26 -4.76 119.74 116.47 1xq4 s LYS 9 Ca 0.09 0.78 -0.24 0.00 0.02 0.00 0.00 55.97 56.63 1xq4 s LYS 9 Cb -0.01 -1.86 -0.20 0.00 -0.52 0.00 0.00 37.83 35.24 1xq4 s LYS 9 CO 0.20 -1.97 1.16 -1.00 -0.92 0.00 0.00 175.35 172.83 1xq4 h PRO 10 N -1.35 0.19 -4.37 -1.68 0.13 -1.94 0.86 132.00 123.84 1xq4 h PRO 10 Ca -0.48 -0.15 -0.60 0.00 -0.87 0.00 0.00 66.00 63.90 1xq4 h PRO 10 Cb 1.27 0.03 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 1xq4 h PRO 10 CO 0.56 0.79 -0.79 0.71 -0.23 0.00 0.00 178.00 179.04 1xq4 s TYR 11 N -3.67 2.29 -0.18 1.56 2.02 -1.26 -1.50 117.35 116.61 1xq4 s TYR 11 Ca -0.15 -1.62 -0.11 0.00 -0.37 0.00 0.00 57.07 54.82 1xq4 s TYR 11 Cb 0.02 -1.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.09 1xq4 s TYR 11 CO 0.73 -0.75 0.45 0.34 -1.57 0.00 0.00 175.55 174.76 1xq4 s ASP 12 N 1.43 -0.57 -0.05 2.29 2.15 -1.26 -4.93 116.67 115.73 1xq4 s ASP 12 Ca -0.04 0.98 0.02 0.00 0.43 0.00 0.00 52.55 53.94 1xq4 s ASP 12 Cb -0.18 0.87 0.02 0.00 -0.30 0.00 0.00 42.92 43.33 1xq4 s ASP 12 CO -0.07 -0.20 -0.09 -0.76 -0.17 0.00 0.00 175.17 173.89 1xq4 s LEU 13 N 1.29 1.53 -0.07 -1.34 1.43 -1.26 -1.08 118.68 119.19 1xq4 s LEU 13 Ca -0.08 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1xq4 s LEU 13 Cb -0.07 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 1xq4 s LEU 13 CO -0.12 0.00 -0.10 0.42 0.23 0.00 0.00 176.35 176.78 1xq4 s THR 14 N 0.70 3.42 -0.09 5.49 -4.23 -0.30 -4.92 115.64 115.70 1xq4 s THR 14 Ca -0.12 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1xq4 s THR 14 Cb -0.14 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.31 1xq4 s THR 14 CO 0.02 0.59 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.77 1xq4 s VAL 15 N -0.69 2.16 -0.06 2.29 1.01 -1.26 -1.44 120.40 122.41 1xq4 s VAL 15 Ca 0.10 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1xq4 s VAL 15 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1xq4 s VAL 15 CO 0.01 0.56 -0.18 -0.94 0.00 0.00 0.00 175.10 174.55 1xq4 s SER 16 N 0.21 2.38 -0.08 3.32 1.04 -0.80 -4.92 113.70 114.84 1xq4 s SER 16 Ca -0.14 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 55.92 1xq4 s SER 16 Cb -0.17 -0.86 0.01 0.00 0.10 0.00 0.00 66.02 65.10 1xq4 s SER 16 CO 0.07 0.14 -0.18 -0.69 0.98 0.00 0.00 173.24 173.56 1xq4 s VAL 17 N 0.24 1.61 -0.35 5.02 1.01 -1.26 -0.74 120.40 125.93 1xq4 s VAL 17 Ca -0.10 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1xq4 s VAL 17 Cb -0.14 -1.42 0.10 0.00 0.00 0.00 0.00 36.38 34.92 1xq4 s VAL 17 CO 0.04 0.46 0.07 -0.89 0.00 0.00 0.00 175.10 174.79 1xq4 s THR 18 N 0.47 2.41 0.67 3.92 2.01 -0.77 -4.92 115.64 119.41 1xq4 s THR 18 Ca -0.16 -2.34 -0.11 0.00 0.31 0.00 0.00 61.69 59.39 1xq4 s THR 18 Cb -0.17 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1xq4 s THR 18 CO 0.06 -0.62 1.05 -2.16 -0.69 0.00 0.00 174.62 172.27 1xq4 s PRO 19 N 0.90 3.20 -0.29 4.92 0.04 -1.26 -2.28 135.00 140.21 1xq4 s PRO 19 Ca 0.11 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 1xq4 s PRO 19 Cb -0.20 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1xq4 s PRO 19 CO -0.07 -0.89 0.77 -0.98 0.04 0.00 0.00 177.00 175.87 1xq4 s ARG 20 N -5.11 0.53 0.40 4.56 1.70 0.02 -4.95 118.95 116.10 1xq4 s ARG 20 Ca 0.57 1.16 -0.27 0.00 -0.47 0.00 0.00 55.73 56.72 1xq4 s ARG 20 Cb -0.13 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 1xq4 s ARG 20 CO 0.55 -0.15 1.44 -0.47 -1.08 0.00 0.00 175.30 175.59 1xq4 s TYR 21 N 2.33 2.59 -0.43 5.89 5.04 -1.26 -1.11 117.35 130.40 1xq4 s TYR 21 Ca -0.07 1.23 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1xq4 s TYR 21 Cb -0.08 -3.95 0.12 0.00 0.35 0.00 0.00 41.96 38.40 1xq4 s TYR 21 CO -0.18 -2.85 0.19 0.08 -1.34 0.00 0.00 175.55 171.44 1xq4 s VAL 22 N -1.16 2.82 0.11 3.14 1.01 -0.17 -4.87 120.40 121.28 1xq4 s VAL 22 Ca 0.55 -2.53 -0.19 0.00 0.00 0.00 0.00 61.98 59.81 1xq4 s VAL 22 Cb -0.45 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1xq4 s VAL 22 CO 0.59 -0.70 1.69 -0.65 0.00 0.00 0.00 175.10 176.03 1xq4 h PRO 23 N 7.45 0.34 -0.01 2.72 0.11 -1.90 -3.00 132.00 137.71 1xq4 h PRO 23 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1xq4 h PRO 23 Cb 0.99 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xq4 h PRO 23 CO 0.63 0.34 0.65 0.93 -0.21 0.00 0.00 178.00 180.34 1xq4 h GLU 24 N 0.25 0.00 -0.05 1.05 3.07 -1.97 0.31 114.58 117.24 1xq4 h GLU 24 Ca 0.08 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.78 1xq4 h GLU 24 Cb 0.11 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.69 1xq4 h GLU 24 CO -0.01 0.00 -0.96 0.00 -1.40 0.00 0.00 179.01 176.64 1xq4 n GLN 25 N -2.71 0.46 -4.47 2.33 10.64 -1.16 -5.07 117.38 117.41 1xq4 n GLN 25 Ca -0.01 -2.37 -0.22 0.00 -1.83 0.00 0.00 57.00 52.57 1xq4 n GLN 25 Cb 0.68 -0.43 -0.14 0.00 -0.86 0.00 0.00 30.24 29.49 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 -2.38 1.84 -0.38 2.61 0.01 0.10 -4.60 113.70 110.89 1xq4 s SER 26 Ca 0.34 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1xq4 s SER 26 Cb 0.38 -0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.61 1xq4 s SER 26 CO -0.14 0.08 0.22 -0.62 0.41 0.00 0.00 173.24 173.19 1xq4 s ASP 27 N -1.01 3.22 0.63 2.44 2.15 0.19 -4.90 116.67 119.39 1xq4 s ASP 27 Ca 0.03 -2.33 0.37 0.00 0.43 0.00 0.00 52.55 51.05 1xq4 s ASP 27 Cb -0.08 -0.63 2.12 0.00 -0.30 0.00 0.00 42.92 44.04 1xq4 s ASP 27 CO 0.01 -0.30 2.32 1.55 -0.17 0.00 0.00 175.17 178.58 1xq4 h PRO 28 N 6.93 0.00 0.00 4.34 0.13 -1.94 0.87 132.00 142.33 1xq4 h PRO 28 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1xq4 h PRO 28 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1xq4 h PRO 28 CO 0.34 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.77 1xq4 h SER 29 N 0.00 0.00 -0.21 1.44 4.64 -1.94 -2.18 113.55 115.31 1xq4 h SER 29 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xq4 h SER 29 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xq4 h SER 29 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1xq4 n GLN 30 N -2.85 2.76 -3.05 4.77 1.13 -0.25 -4.96 117.38 114.94 1xq4 n GLN 30 Ca 0.01 -2.10 -0.22 0.00 -1.94 0.00 0.00 57.00 52.75 1xq4 n GLN 30 Cb 0.31 -1.33 0.04 0.00 0.11 0.00 0.00 30.24 29.38 1xq4 n GLN 30 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1xq4 n GLN 31 N -0.13 -5.07 -3.64 -1.09 3.00 -0.82 -4.96 117.38 104.68 1xq4 n GLN 31 Ca 0.11 0.88 -0.39 0.00 -0.01 0.00 0.00 57.00 57.59 1xq4 n GLN 31 Cb 0.49 -5.71 -0.08 0.00 0.00 0.00 0.00 30.24 24.94 1xq4 n GLN 31 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1xq4 s GLN 32 N -5.72 2.77 -0.23 -1.09 -0.21 0.14 -3.97 119.66 111.34 1xq4 s GLN 32 Ca 0.32 -2.50 -0.07 0.00 0.02 0.00 0.00 55.36 53.13 1xq4 s GLN 32 Cb -0.14 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 29.96 1xq4 s GLN 32 CO 0.40 -1.20 0.06 0.71 -2.12 0.00 0.00 175.29 173.14 1xq4 s TYR 33 N 0.01 3.10 -0.19 0.91 1.51 0.42 0.53 117.35 123.65 1xq4 s TYR 33 Ca 0.17 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1xq4 s TYR 33 Cb -0.18 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1xq4 s TYR 33 CO -0.04 -0.24 -0.13 0.08 -1.11 0.00 0.00 175.55 174.11 1xq4 s VAL 34 N 1.26 2.69 0.26 0.71 1.01 -1.26 0.27 120.40 125.34 1xq4 s VAL 34 Ca 0.05 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.39 1xq4 s VAL 34 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1xq4 s VAL 34 CO 0.03 0.49 -0.04 -0.36 0.00 0.00 0.00 175.10 175.22 1xq4 s PHE 35 N 1.22 2.63 -0.11 5.22 0.40 -0.76 -1.00 117.98 125.58 1xq4 s PHE 35 Ca 0.02 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1xq4 s PHE 35 Cb -0.14 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1xq4 s PHE 35 CO -0.06 0.63 -0.08 0.00 0.70 0.00 0.00 175.22 176.40 1xq4 s ALA 36 N -2.30 1.33 -0.03 5.36 0.00 -0.26 -0.86 121.76 125.00 1xq4 s ALA 36 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1xq4 s ALA 36 Cb -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1xq4 s ALA 36 CO 0.19 -0.35 0.01 1.52 0.00 0.00 0.00 175.76 177.12 1xq4 s TYR 37 N 1.58 3.13 -0.23 0.00 1.13 -0.76 -0.80 117.35 121.40 1xq4 s TYR 37 Ca 0.03 0.14 -0.02 0.00 -1.41 0.00 0.00 57.07 55.81 1xq4 s TYR 37 Cb -0.13 -1.72 0.02 0.00 -1.10 0.00 0.00 41.96 39.03 1xq4 s TYR 37 CO -0.07 0.48 -0.08 0.99 -2.51 0.00 0.00 175.55 174.36 1xq4 s THR 38 N -1.03 2.84 0.11 -3.49 2.01 -0.97 -1.95 115.64 113.16 1xq4 s THR 38 Ca 0.18 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 1xq4 s THR 38 Cb -0.11 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 1xq4 s THR 38 CO 0.08 0.28 0.49 -0.69 -0.69 0.00 0.00 174.62 174.09 1xq4 s VAL 39 N 1.35 4.95 -0.24 3.82 1.01 0.14 -1.85 120.40 129.57 1xq4 s VAL 39 Ca 0.02 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 1xq4 s VAL 39 Cb -0.16 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.59 1xq4 s VAL 39 CO -0.05 0.30 0.07 -0.60 0.00 0.00 0.00 175.10 174.82 1xq4 s ARG 40 N -1.82 0.60 -0.17 2.72 3.52 0.08 -2.22 118.95 121.66 1xq4 s ARG 40 Ca 0.34 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 55.21 1xq4 s ARG 40 Cb -0.15 -1.94 -0.05 0.00 -1.56 0.00 0.00 34.95 31.25 1xq4 s ARG 40 CO 0.18 -0.80 0.17 0.42 -0.81 0.00 0.00 175.30 174.46 1xq4 s ILE 41 N 1.82 5.40 -0.04 4.11 1.01 0.35 -1.90 121.20 131.95 1xq4 s ILE 41 Ca 0.04 0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1xq4 s ILE 41 Cb -0.17 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1xq4 s ILE 41 CO -0.17 0.47 -0.06 -0.89 0.00 0.00 0.00 174.94 174.29 1xq4 s THR 42 N 0.08 0.60 -0.58 2.92 2.01 -0.52 -0.42 115.64 119.72 1xq4 s THR 42 Ca 0.11 -0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 1xq4 s THR 42 Cb -0.12 -0.59 0.03 0.00 0.01 0.00 0.00 72.50 71.84 1xq4 s THR 42 CO 0.01 0.22 1.16 0.21 -0.69 0.00 0.00 174.62 175.53 1xq4 s ASN 43 N 0.67 6.43 -0.22 3.53 3.04 -0.74 -1.15 114.94 126.49 1xq4 s ASN 43 Ca -0.09 0.03 0.15 0.00 0.04 0.00 0.00 52.86 52.98 1xq4 s ASN 43 Cb -0.12 -2.54 0.75 0.00 -1.54 0.00 0.00 41.25 37.80 1xq4 s ASN 43 CO 0.01 -1.45 1.67 0.35 -3.04 0.00 0.00 177.10 174.63 1xq4 n THR 44 N 6.60 2.64 -3.98 -5.21 -2.24 -0.24 -0.01 114.28 111.82 1xq4 n THR 44 Ca 0.07 -1.53 -0.26 0.00 -2.27 0.00 0.00 64.05 60.07 1xq4 n THR 44 Cb 0.49 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.09 2.39 0.40 3.38 0.00 -0.87 -4.54 107.32 106.98 1xq4 s GLY 45 Ca 0.51 -1.52 0.24 0.00 0.00 0.00 0.00 44.72 43.96 1xq4 s GLY 45 CO 0.14 -1.92 1.67 1.48 0.00 0.00 0.00 173.10 174.47 1xq4 h SER 46 N 1.04 0.00 -2.72 1.64 4.64 -0.45 -3.42 113.55 114.28 1xq4 h SER 46 Ca -0.40 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.36 1xq4 h SER 46 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1xq4 h SER 46 CO 0.62 0.00 -0.76 -1.00 -0.87 0.00 0.00 176.83 174.82 1xq4 s HIS 47 N -3.22 2.07 0.89 4.77 3.76 -0.56 -4.82 115.29 118.18 1xq4 s HIS 47 Ca 0.07 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1xq4 s HIS 47 Cb 0.07 -0.94 0.13 0.00 1.11 0.00 0.00 32.58 32.95 1xq4 s HIS 47 CO 0.64 0.55 1.11 -2.14 -0.85 0.00 0.00 174.74 174.05 1xq4 s PRO 48 N -3.40 1.30 0.02 8.40 0.02 -1.26 -4.46 135.00 135.62 1xq4 s PRO 48 Ca 0.26 1.22 -0.24 0.00 0.02 0.00 0.00 61.00 62.26 1xq4 s PRO 48 Cb -0.04 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.75 1xq4 s PRO 48 CO 0.11 -2.33 0.53 0.00 -0.33 0.00 0.00 177.00 174.99 1xq4 s ALA 49 N -2.77 -1.37 -0.03 -1.55 0.00 -0.90 -2.59 121.76 112.55 1xq4 s ALA 49 Ca 0.64 0.74 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1xq4 s ALA 49 Cb -0.20 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1xq4 s ALA 49 CO 0.58 -0.45 -0.26 -1.14 0.00 0.00 0.00 175.76 174.49 1xq4 s GLN 50 N -2.04 2.22 -0.15 0.00 0.74 0.11 0.00 119.66 120.54 1xq4 s GLN 50 Ca -0.07 -0.92 -0.26 0.00 0.05 0.00 0.00 55.36 54.16 1xq4 s GLN 50 Cb -0.01 -2.07 -0.02 0.00 1.10 0.00 0.00 33.01 32.02 1xq4 s GLN 50 CO 0.02 0.51 0.85 0.08 -0.55 0.00 0.00 175.29 176.20 1xq4 s VAL 51 N -0.49 4.88 -0.03 1.34 1.01 -0.39 -1.63 120.40 125.09 1xq4 s VAL 51 Ca 0.06 1.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.70 1xq4 s VAL 51 Cb -0.11 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1xq4 s VAL 51 CO 0.00 0.04 -0.06 -0.38 0.00 0.00 0.00 175.10 174.70 1xq4 n ILE 52 N 4.64 0.28 -4.49 2.22 2.08 0.15 -4.01 119.36 120.24 1xq4 n ILE 52 Ca 0.05 0.39 -0.23 0.00 0.56 0.00 0.00 62.75 63.52 1xq4 n ILE 52 Cb 0.49 -1.60 -0.11 0.00 -0.75 0.00 0.00 39.64 37.67 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 -4.46 2.67 -0.01 4.38 1.04 -0.90 0.16 113.70 116.59 1xq4 s SER 53 Ca -0.05 -1.38 0.01 0.00 0.48 0.00 0.00 55.95 55.01 1xq4 s SER 53 Cb 0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1xq4 s SER 53 CO 0.07 -0.58 -0.03 0.00 0.98 0.00 0.00 173.24 173.68 1xq4 s ARG 54 N -3.86 0.29 -0.12 4.02 1.70 -0.99 -0.54 118.95 119.45 1xq4 s ARG 54 Ca 0.36 -0.09 0.02 0.00 -0.47 0.00 0.00 55.73 55.55 1xq4 s ARG 54 Cb 0.09 -0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.17 1xq4 s ARG 54 CO 0.16 0.03 -0.17 -1.58 -1.08 0.00 0.00 175.30 172.67 1xq4 s HIS 55 N 0.13 2.17 -0.06 5.89 2.46 0.16 -2.60 115.29 123.44 1xq4 s HIS 55 Ca -0.01 -1.08 0.06 0.00 0.47 0.00 0.00 55.06 54.50 1xq4 s HIS 55 Cb -0.04 -1.55 -0.01 0.00 -0.13 0.00 0.00 32.58 30.86 1xq4 s HIS 55 CO -0.00 -0.54 -0.24 -1.58 -2.47 0.00 0.00 174.74 169.90 1xq4 s TRP 56 N 1.03 2.34 -0.28 3.88 0.23 0.27 0.14 118.94 126.55 1xq4 s TRP 56 Ca -0.05 -0.71 0.03 0.00 -2.03 0.00 0.00 56.10 53.35 1xq4 s TRP 56 Cb -0.15 -1.54 0.07 0.00 0.03 0.00 0.00 33.47 31.88 1xq4 s TRP 56 CO -0.03 -0.22 -0.07 0.42 0.96 0.00 0.00 176.95 178.01 1xq4 s ILE 57 N -0.11 2.14 -0.17 2.03 1.01 0.81 -1.22 121.20 125.69 1xq4 s ILE 57 Ca -0.04 -1.76 -0.07 0.00 0.00 0.00 0.00 60.65 58.78 1xq4 s ILE 57 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1xq4 s ILE 57 CO 0.04 -0.16 0.05 0.27 0.00 0.00 0.00 174.94 175.13 1xq4 s ILE 58 N 1.08 4.66 -0.07 2.92 -4.36 -0.37 -1.35 121.20 123.70 1xq4 s ILE 58 Ca -0.04 -0.08 0.02 0.00 -0.26 0.00 0.00 60.65 60.28 1xq4 s ILE 58 Cb -0.20 -3.08 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1xq4 s ILE 58 CO -0.06 0.48 -0.11 -0.89 0.24 0.00 0.00 174.94 174.60 1xq4 s THR 59 N 0.24 3.33 0.77 8.37 2.01 0.68 -1.51 115.64 129.54 1xq4 s THR 59 Ca 0.03 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 1xq4 s THR 59 Cb -0.12 -2.35 0.05 0.00 0.01 0.00 0.00 72.50 70.09 1xq4 s THR 59 CO 0.01 0.58 1.10 -0.62 -0.69 0.00 0.00 174.62 175.00 1xq4 s ASP 60 N -0.56 4.80 0.08 3.53 2.15 -0.07 -2.01 116.67 124.59 1xq4 s ASP 60 Ca 0.08 1.22 0.17 0.00 0.43 0.00 0.00 52.55 54.45 1xq4 s ASP 60 Cb -0.12 -1.96 0.72 0.00 -0.30 0.00 0.00 42.92 41.26 1xq4 s ASP 60 CO 0.02 -1.76 1.53 0.61 -0.17 0.00 0.00 175.17 175.39 1xq4 n GLY 61 N -2.46 -1.07 0.55 2.66 0.00 -1.04 -1.68 105.19 102.16 1xq4 n GLY 61 Ca 0.07 -0.00 0.08 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 -1.74 2.07 -1.47 1.61 -0.58 -1.26 -4.96 120.64 114.31 1xq4 n GLU 62 Ca 0.03 -2.78 -0.09 0.00 -0.42 0.00 0.00 57.16 53.89 1xq4 n GLU 62 Cb 0.18 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 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 -0.99 -0.67 -2.96 3.49 4.07 -0.68 -5.00 120.64 117.91 1xq4 n GLU 63 Ca 0.20 0.75 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 1xq4 n GLU 63 Cb 0.79 -4.67 -0.05 0.00 -0.06 0.00 0.00 31.44 27.45 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 -3.16 3.62 0.35 5.31 0.52 -1.26 -4.74 118.95 119.59 1xq4 s ARG 64 Ca 0.00 0.16 -0.11 0.00 -0.52 0.00 0.00 55.73 55.25 1xq4 s ARG 64 Cb 0.00 -3.86 -0.07 0.00 0.52 0.00 0.00 34.95 31.54 1xq4 s ARG 64 CO 0.00 -0.95 0.72 0.08 0.02 0.00 0.00 175.30 175.16 1xq4 s VAL 65 N 3.18 4.79 -0.07 3.52 1.01 -1.26 -0.90 120.40 130.68 1xq4 s VAL 65 Ca 0.31 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.86 1xq4 s VAL 65 Cb -0.13 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1xq4 s VAL 65 CO 0.19 -0.35 0.22 -1.10 0.00 0.00 0.00 175.10 174.06 1xq4 s GLN 66 N -3.44 0.32 0.05 2.72 -0.21 -0.57 -4.99 119.66 113.53 1xq4 s GLN 66 Ca 0.51 0.19 0.07 0.00 0.02 0.00 0.00 55.36 56.16 1xq4 s GLN 66 Cb -0.10 0.15 -0.03 0.00 1.00 0.00 0.00 33.01 34.03 1xq4 s GLN 66 CO 0.26 -0.05 -0.21 -1.21 -2.12 0.00 0.00 175.29 171.96 1xq4 s GLU 67 N -0.16 1.40 -0.04 2.91 2.02 -1.26 -1.24 118.70 122.32 1xq4 s GLU 67 Ca -0.03 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.02 1xq4 s GLU 67 Cb -0.03 -1.53 0.01 0.00 0.10 0.00 0.00 34.13 32.69 1xq4 s GLU 67 CO 0.01 0.39 -0.10 0.08 0.02 0.00 0.00 175.26 175.66 1xq4 s VAL 68 N -0.82 0.91 0.00 2.63 1.01 -0.36 -5.00 120.40 118.78 1xq4 s VAL 68 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1xq4 s VAL 68 Cb -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1xq4 s VAL 68 CO 0.02 0.29 -0.04 -0.13 0.00 0.00 0.00 175.10 175.24 1xq4 s ARG 69 N 0.46 0.29 0.04 2.72 0.52 -1.26 -0.57 118.95 121.15 1xq4 s ARG 69 Ca -0.08 -0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 54.79 1xq4 s ARG 69 Cb -0.12 -0.23 0.04 0.00 0.52 0.00 0.00 34.95 35.16 1xq4 s ARG 69 CO 0.02 0.06 0.57 0.41 0.02 0.00 0.00 175.30 176.38 1xq4 n GLY 70 N 2.76 0.68 3.69 -3.53 0.00 -1.07 -5.05 105.19 102.67 1xq4 n GLY 70 Ca -0.14 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 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 3.59 0.31 0.99 1.43 -1.26 -2.36 118.68 121.38 1xq4 s LEU 71 Ca 0.13 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1xq4 s LEU 71 Cb -0.01 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1xq4 s LEU 71 CO 0.01 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1xq4 n GLY 72 N 1.91 -2.03 3.00 -3.19 0.00 0.42 -4.63 105.19 100.68 1xq4 n GLY 72 Ca -0.17 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.33 1.62 -1.05 1.61 -7.23 0.11 -4.55 120.40 108.58 1xq4 s VAL 73 Ca 0.00 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 1xq4 s VAL 73 Cb 0.00 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.30 1xq4 s VAL 73 CO 0.00 0.26 0.90 0.52 -0.31 0.00 0.00 175.10 176.47 1xq4 n VAL 74 N 4.71 -3.34 -2.81 1.32 0.31 -1.26 -2.67 118.33 114.59 1xq4 n VAL 74 Ca -0.15 -0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 63.81 1xq4 n VAL 74 Cb 0.48 -3.90 0.01 0.00 -0.91 0.00 0.00 33.84 29.52 1xq4 n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xq4 n GLY 75 N -1.49 -0.51 3.23 2.92 0.00 -1.26 -4.97 105.19 103.11 1xq4 n GLY 75 Ca -0.08 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1xq4 n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xq4 s GLN 76 N -5.47 0.85 -0.49 1.61 2.00 -1.09 -5.05 119.66 112.01 1xq4 s GLN 76 Ca 0.19 -0.73 0.04 0.00 -2.00 0.00 0.00 55.36 52.86 1xq4 s GLN 76 Cb -0.09 0.36 0.17 0.00 0.80 0.00 0.00 33.01 34.24 1xq4 s GLN 76 CO 0.24 -0.28 0.37 -0.65 -0.50 0.00 0.00 175.29 174.47 1xq4 s GLN 77 N -3.27 1.35 0.28 1.67 -0.21 -1.26 0.06 119.66 118.27 1xq4 s GLN 77 Ca 0.00 -2.40 -0.30 0.00 0.02 0.00 0.00 55.36 52.68 1xq4 s GLN 77 Cb 0.02 -2.04 -0.10 0.00 1.00 0.00 0.00 33.01 31.88 1xq4 s GLN 77 CO -0.08 -1.33 1.44 -1.25 -2.12 0.00 0.00 175.29 171.95 1xq4 s PRO 78 N -0.28 4.25 -0.62 2.91 0.04 -1.26 -4.59 135.00 135.45 1xq4 s PRO 78 Ca 0.29 2.34 -0.14 0.00 0.04 0.00 0.00 61.00 63.53 1xq4 s PRO 78 Cb -0.02 -3.08 0.16 0.00 0.04 0.00 0.00 34.50 31.59 1xq4 s PRO 78 CO -0.16 -0.42 0.55 -1.17 0.04 0.00 0.00 177.00 175.84 1xq4 s LEU 79 N -0.74 6.24 -0.11 -3.56 1.98 -1.26 -1.26 118.68 119.96 1xq4 s LEU 79 Ca 0.58 -2.13 -0.25 0.00 -2.89 0.00 0.00 54.13 49.43 1xq4 s LEU 79 Cb -0.43 -2.16 -0.02 0.00 0.66 0.00 0.00 46.19 44.24 1xq4 s LEU 79 CO 0.47 -0.72 0.80 -0.76 -1.89 0.00 0.00 176.35 174.25 1xq4 s LEU 80 N 1.05 4.25 0.67 -0.68 1.43 0.10 -4.85 118.68 120.65 1xq4 s LEU 80 Ca 0.09 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.28 1xq4 s LEU 80 Cb -0.23 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.77 1xq4 s LEU 80 CO -0.01 -0.29 1.10 0.00 0.23 0.00 0.00 176.35 177.38 1xq4 s ALA 81 N 1.56 2.48 0.15 4.21 0.00 -1.26 -2.12 121.76 126.78 1xq4 s ALA 81 Ca 0.40 0.46 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1xq4 s ALA 81 Cb -0.17 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1xq4 s ALA 81 CO 0.16 -1.30 1.82 -0.35 0.00 0.00 0.00 175.76 176.10 1xq4 n PRO 82 N -2.59 2.83 0.00 0.00 -0.04 -1.26 -1.87 135.00 132.07 1xq4 n PRO 82 Ca 0.10 1.03 0.00 0.00 -0.04 0.00 0.00 63.50 64.59 1xq4 n PRO 82 Cb 0.52 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.20 2.66 3.85 0.55 0.00 0.98 -5.01 105.19 112.42 1xq4 n GLY 83 Ca 0.17 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 2.92 0.21 1.61 -1.05 -0.78 -4.67 118.70 116.94 1xq4 s GLU 84 Ca 0.00 0.66 0.06 0.00 -0.15 0.00 0.00 54.97 55.55 1xq4 s GLU 84 Cb 0.00 -2.01 -0.05 0.00 -0.44 0.00 0.00 34.13 31.63 1xq4 s GLU 84 CO 0.00 -1.04 -0.10 0.95 0.95 0.00 0.00 175.26 176.02 1xq4 s THR 85 N -3.21 1.52 -0.05 1.83 -4.23 -1.26 -1.80 115.64 108.44 1xq4 s THR 85 Ca 0.58 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 1xq4 s THR 85 Cb -0.12 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.62 1xq4 s THR 85 CO 0.53 -0.53 0.08 0.12 -0.54 0.00 0.00 174.62 174.28 1xq4 s PHE 86 N -3.11 0.01 -0.00 3.99 2.19 0.45 -4.97 117.98 116.53 1xq4 s PHE 86 Ca 0.24 0.31 0.01 0.00 0.33 0.00 0.00 56.93 57.82 1xq4 s PHE 86 Cb 0.02 -0.40 -0.00 0.00 -1.31 0.00 0.00 43.02 41.32 1xq4 s PHE 86 CO 0.07 -0.19 -0.03 -1.83 1.83 0.00 0.00 175.22 175.06 1xq4 s GLU 87 N 2.04 0.27 0.22 10.12 -1.05 -1.26 -0.50 118.70 128.55 1xq4 s GLU 87 Ca 0.03 -0.15 -0.09 0.00 -0.15 0.00 0.00 54.97 54.60 1xq4 s GLU 87 Cb -0.12 -0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.31 1xq4 s GLU 87 CO -0.04 0.07 0.36 1.52 0.95 0.00 0.00 175.26 178.12 1xq4 s TYR 88 N -0.16 0.57 -0.04 4.83 -0.85 -0.94 -4.99 117.35 115.77 1xq4 s TYR 88 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 57.07 55.67 1xq4 s TYR 88 Cb -0.02 -0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.30 1xq4 s TYR 88 CO -0.00 -0.86 -0.05 0.95 -1.52 0.00 0.00 175.55 174.06 1xq4 s THR 89 N -4.05 0.56 0.35 -3.49 -4.23 -1.26 0.28 115.64 103.79 1xq4 s THR 89 Ca 0.26 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.69 1xq4 s THR 89 Cb 0.02 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 73.23 1xq4 s THR 89 CO 0.09 0.22 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.75 1xq4 s SER 90 N 0.69 3.66 0.37 3.99 0.15 -0.82 -4.96 113.70 116.78 1xq4 s SER 90 Ca -0.09 -1.22 0.04 0.00 0.70 0.00 0.00 55.95 55.38 1xq4 s SER 90 Cb -0.13 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1xq4 s SER 90 CO 0.00 -0.24 0.54 -0.83 1.20 0.00 0.00 173.24 173.91 1xq4 s GLY 91 N -3.60 1.56 -0.28 9.45 0.00 -1.26 -1.83 107.32 111.36 1xq4 s GLY 91 Ca 0.33 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 1xq4 s GLY 91 CO 0.16 -1.18 0.34 0.00 0.00 0.00 0.00 173.10 172.42 1xq4 s PRO 93 N 2.45 4.33 -0.09 0.00 0.04 -1.26 -1.82 135.00 138.65 1xq4 s PRO 93 Ca 0.10 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.06 1xq4 s PRO 93 Cb -0.14 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 31.86 1xq4 s PRO 93 CO -0.28 0.19 0.41 -0.51 0.04 0.00 0.00 177.00 176.85 1xq4 s LEU 94 N -2.50 0.46 0.20 -3.56 1.43 0.14 -4.99 118.68 109.86 1xq4 s LEU 94 Ca 0.53 0.55 0.25 0.00 -1.03 0.00 0.00 54.13 54.42 1xq4 s LEU 94 Cb -0.14 1.49 0.58 0.00 0.03 0.00 0.00 46.19 48.15 1xq4 s LEU 94 CO 0.19 -0.31 1.58 -0.65 0.23 0.00 0.00 176.35 177.39 1xq4 h PRO 95 N 4.61 0.00 -6.37 1.29 0.11 -1.84 0.12 132.00 129.93 1xq4 h PRO 95 Ca -0.28 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.18 1xq4 h PRO 95 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 1xq4 h PRO 95 CO 0.32 0.00 -0.67 0.95 -0.21 0.00 0.00 178.00 178.39 1xq4 s THR 96 N -3.14 3.95 -0.63 -1.15 -4.23 -1.26 -4.58 115.64 104.59 1xq4 s THR 96 Ca 0.08 -1.02 0.19 0.00 -1.18 0.00 0.00 61.69 59.77 1xq4 s THR 96 Cb 0.12 -2.88 0.19 0.00 1.34 0.00 0.00 72.50 71.27 1xq4 s THR 96 CO 0.65 0.12 1.58 -0.81 -0.54 0.00 0.00 174.62 175.62 1xq4 n PRO 97 N 0.58 0.12 -4.18 3.99 -0.04 -1.26 -4.75 135.00 129.46 1xq4 n PRO 97 Ca -0.11 0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1xq4 n PRO 97 Cb 0.52 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.24 0.75 -0.10 0.52 -4.36 -1.26 -4.10 121.20 109.42 1xq4 s ILE 98 Ca 0.04 -1.92 -0.32 0.00 -0.26 0.00 0.00 60.65 58.19 1xq4 s ILE 98 Cb 0.08 -1.66 0.12 0.00 1.25 0.00 0.00 42.46 42.24 1xq4 s ILE 98 CO 0.30 -0.84 1.40 -0.83 0.24 0.00 0.00 174.94 175.21 1xq4 s GLY 99 N -3.00 -0.31 0.00 6.27 0.00 0.43 -2.50 107.32 108.21 1xq4 s GLY 99 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1xq4 s GLY 99 CO -0.04 4.92 0.00 -1.30 0.00 0.00 0.00 173.10 176.68 1xq4 n THR 100 N -0.84 0.00 0.00 0.90 -2.24 -0.85 0.84 114.28 112.08 1xq4 n THR 100 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1xq4 n THR 100 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.00 -0.78 1.85 -0.46 -0.23 116.66 117.04 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 -0.80 3.48 3.29 2.89 0.00 -1.04 -0.13 105.19 112.88 1xq4 n GLY 103 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.53 0.01 -0.09 2.61 2.01 0.12 -0.96 115.64 116.81 1xq4 s THR 104 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1xq4 s THR 104 Cb 0.00 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1xq4 s THR 104 CO 0.00 -0.04 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.49 1xq4 s TYR 105 N -0.05 2.89 -0.23 4.92 2.02 -1.05 0.35 117.35 126.20 1xq4 s TYR 105 Ca -0.02 -0.19 -0.08 0.00 -0.37 0.00 0.00 57.07 56.41 1xq4 s TYR 105 Cb -0.03 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1xq4 s TYR 105 CO 0.01 0.14 0.08 -1.01 -1.57 0.00 0.00 175.55 173.21 1xq4 s HIS 106 N -0.37 3.16 0.31 2.71 3.76 0.29 -1.84 115.29 123.32 1xq4 s HIS 106 Ca 0.05 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1xq4 s HIS 106 Cb -0.12 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.37 1xq4 s HIS 106 CO 0.02 -0.13 0.05 0.00 -0.85 0.00 0.00 174.74 173.83 1xq4 s VAL 108 N -2.44 -0.01 0.92 0.00 -7.23 -0.65 -1.21 120.40 109.78 1xq4 s VAL 108 Ca 0.08 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 1xq4 s VAL 108 Cb 0.00 -0.74 0.14 0.00 0.56 0.00 0.00 36.38 36.35 1xq4 s VAL 108 CO 0.05 0.02 1.13 -0.83 -0.31 0.00 0.00 175.10 175.16 1xq4 s GLY 109 N 1.04 1.57 0.55 2.32 0.00 -0.36 -0.71 107.32 111.74 1xq4 s GLY 109 Ca -0.06 -0.51 0.29 0.00 0.00 0.00 0.00 44.72 44.44 1xq4 s GLY 109 CO -0.09 0.06 2.14 1.05 0.00 0.00 0.00 173.10 176.25 1xq4 h GLU 110 N -1.53 0.00 -0.95 2.90 4.11 -1.84 -0.75 114.58 116.52 1xq4 h GLU 110 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1xq4 h GLU 110 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1xq4 h GLU 110 CO 0.62 0.08 0.00 0.27 0.07 0.00 0.00 179.01 180.04 1xq4 n ASN 111 N -3.65 1.36 0.00 3.06 6.94 -1.26 -4.86 115.26 116.86 1xq4 n ASN 111 Ca -0.02 -2.07 0.00 0.00 -0.02 0.00 0.00 54.58 52.47 1xq4 n ASN 111 Cb 0.19 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 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 0.06 1.71 3.68 4.83 0.00 -0.29 -4.97 105.19 110.21 1xq4 n GLY 112 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1xq4 n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xq4 s ILE 113 N -1.94 4.17 0.63 -0.61 -1.09 -1.26 -4.73 121.20 116.37 1xq4 s ILE 113 Ca 0.00 1.50 -0.12 0.00 -2.23 0.00 0.00 60.65 59.79 1xq4 s ILE 113 Cb 0.00 -3.96 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1xq4 s ILE 113 CO 0.00 -0.02 1.04 -2.16 -1.23 0.00 0.00 174.94 172.57 1xq4 s PRO 114 N 2.40 3.38 0.08 2.79 0.04 -1.26 -1.22 135.00 141.21 1xq4 s PRO 114 Ca 0.57 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.25 1xq4 s PRO 114 Cb -0.25 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.32 1xq4 s PRO 114 CO 0.22 -0.75 0.76 -0.59 0.04 0.00 0.00 177.00 176.68 1xq4 s PHE 115 N -2.98 -0.41 -0.08 0.56 -0.12 -0.35 -4.90 117.98 109.70 1xq4 s PHE 115 Ca 0.58 0.22 0.03 0.00 -0.05 0.00 0.00 56.93 57.70 1xq4 s PHE 115 Cb -0.12 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1xq4 s PHE 115 CO 0.49 -0.72 -0.15 -1.21 -0.05 0.00 0.00 175.22 173.58 1xq4 s GLU 116 N -3.43 2.82 -0.46 1.99 2.02 -1.26 -0.08 118.70 120.31 1xq4 s GLU 116 Ca 0.04 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 1xq4 s GLU 116 Cb -0.01 -2.44 0.12 0.00 0.10 0.00 0.00 34.13 31.90 1xq4 s GLU 116 CO -0.09 0.45 0.28 0.14 0.02 0.00 0.00 175.26 176.05 1xq4 s VAL 117 N -0.27 3.58 0.63 2.63 -7.23 -0.77 -4.99 120.40 113.98 1xq4 s VAL 117 Ca 0.02 -2.14 -0.18 0.00 -1.81 0.00 0.00 61.98 57.87 1xq4 s VAL 117 Cb -0.13 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 1xq4 s VAL 117 CO 0.03 -0.74 1.22 -2.16 -0.31 0.00 0.00 175.10 173.13 1xq4 s PRO 118 N 1.00 2.76 -0.35 4.82 0.04 -1.26 -2.53 135.00 139.48 1xq4 s PRO 118 Ca 0.09 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1xq4 s PRO 118 Cb -0.23 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1xq4 s PRO 118 CO -0.03 -1.38 0.08 0.42 0.04 0.00 0.00 177.00 176.13 1xq4 s ILE 119 N -1.65 2.98 0.23 0.56 1.01 -0.13 -4.85 121.20 119.35 1xq4 s ILE 119 Ca 0.77 -1.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.33 1xq4 s ILE 119 Cb -0.31 -2.91 -0.14 0.00 0.01 0.00 0.00 42.46 39.11 1xq4 s ILE 119 CO 0.36 -0.40 1.21 0.00 0.00 0.00 0.00 174.94 176.12 1xq4 n ALA 120 N 4.55 0.11 -1.77 9.38 0.00 -1.26 -2.50 120.51 129.02 1xq4 n ALA 120 Ca -0.07 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 1xq4 n ALA 120 Cb 0.42 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 -0.78 4.15 0.35 0.00 2.12 -1.26 -4.78 118.70 118.51 1xq4 s GLU 121 Ca 0.67 2.49 0.09 0.00 0.36 0.00 0.00 54.97 58.58 1xq4 s GLU 121 Cb -0.73 -4.07 -0.07 0.00 0.26 0.00 0.00 34.13 29.52 1xq4 s GLU 121 CO 0.54 -0.91 -0.08 -0.59 -0.54 0.00 0.00 175.26 173.67 1xq4 s PHE 122 N 4.22 2.41 0.24 5.30 -0.71 -1.26 -5.00 117.98 123.18 1xq4 s PHE 122 Ca 0.84 -0.52 0.09 0.00 -1.04 0.00 0.00 56.93 56.29 1xq4 s PHE 122 Cb -0.40 -1.42 -0.04 0.00 -1.21 0.00 0.00 43.02 39.94 1xq4 s PHE 122 CO 0.38 0.56 0.03 -0.48 -1.34 0.00 0.00 175.22 174.37 1xq4 s LEU 123 N -3.62 3.33 -0.10 -1.99 2.34 -1.26 -4.35 118.68 113.03 1xq4 s LEU 123 Ca 0.33 -0.52 0.03 0.00 0.06 0.00 0.00 54.13 54.02 1xq4 s LEU 123 Cb 0.03 -1.88 0.01 0.00 -0.56 0.00 0.00 46.19 43.79 1xq4 s LEU 123 CO 0.17 0.01 -0.19 -0.76 -1.06 0.00 0.00 176.35 174.52 1xq4 s LEU 124 N -3.54 1.91 0.00 1.48 1.43 0.25 -4.86 118.68 115.35 1xq4 s LEU 124 Ca 0.31 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1xq4 s LEU 124 Cb -0.07 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1xq4 s LEU 124 CO 0.20 0.09 0.00 0.00 0.23 0.00 0.00 176.35 176.88 1xq4 n ALA 125 N 3.78 0.00 -2.86 4.21 0.00 -1.26 -0.43 120.51 123.95 1xq4 n ALA 125 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.80 1xq4 n ALA 125 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 1xq4 n ALA 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xq4 s PRO 127 N 3.68 3.13 0.00 0.00 0.04 -1.26 -4.55 135.00 136.04 1xq4 s PRO 127 Ca 0.00 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.14 1xq4 s PRO 127 Cb 0.00 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1xq4 s PRO 127 CO 0.00 -1.45 0.00 -2.13 0.04 0.00 0.00 177.00 173.46 1xq4 n ARG 128 N 6.67 0.00 0.00 4.56 0.63 -1.26 -5.20 116.66 122.06 1xq4 n ARG 128 Ca -0.06 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.03 1xq4 n ARG 128 Cb 0.45 0.00 0.90 0.00 0.45 0.00 0.00 32.46 34.26 1xq4 n ARG 128 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37