#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 4.71 0.41 0.52 0.11 -1.26 -5.07 120.40 119.82 1xq4 s VAL 8 Ca 0.00 1.25 -0.19 0.00 -2.93 0.00 0.00 61.98 60.11 1xq4 s VAL 8 Cb 0.00 -3.91 -0.10 0.00 -1.53 0.00 0.00 36.38 30.84 1xq4 s VAL 8 CO 0.00 0.54 0.90 -0.54 -3.33 0.00 0.00 175.10 172.66 1xq4 s LYS 9 N -1.16 4.14 0.10 1.54 1.02 -1.26 -4.88 119.74 119.25 1xq4 s LYS 9 Ca 0.30 0.98 -0.07 0.00 0.02 0.00 0.00 55.97 57.20 1xq4 s LYS 9 Cb -0.20 -2.24 -0.16 0.00 -0.52 0.00 0.00 37.83 34.71 1xq4 s LYS 9 CO 0.20 -0.01 1.24 -1.00 -0.92 0.00 0.00 175.35 174.86 1xq4 h PRO 10 N 1.87 0.47 -3.99 -1.68 0.13 -1.95 0.13 132.00 126.98 1xq4 h PRO 10 Ca -0.48 -0.55 -0.60 0.00 -0.87 0.00 0.00 66.00 63.50 1xq4 h PRO 10 Cb 1.18 0.17 -0.39 0.00 0.13 0.00 0.00 31.00 32.08 1xq4 h PRO 10 CO 0.62 1.19 -0.76 0.71 -0.23 0.00 0.00 178.00 179.53 1xq4 s TYR 11 N -3.17 2.19 -0.19 1.56 2.02 -1.26 -0.90 117.35 117.59 1xq4 s TYR 11 Ca -0.07 -1.85 -0.15 0.00 -0.37 0.00 0.00 57.07 54.63 1xq4 s TYR 11 Cb 0.08 -1.80 0.05 0.00 -0.40 0.00 0.00 41.96 39.89 1xq4 s TYR 11 CO 0.89 -0.83 0.49 0.34 -1.57 0.00 0.00 175.55 174.87 1xq4 s ASP 12 N 1.46 -0.55 -0.04 2.29 2.15 -1.26 -4.90 116.67 115.82 1xq4 s ASP 12 Ca 0.04 1.01 0.01 0.00 0.43 0.00 0.00 52.55 54.04 1xq4 s ASP 12 Cb -0.18 0.98 0.02 0.00 -0.30 0.00 0.00 42.92 43.44 1xq4 s ASP 12 CO -0.14 -0.18 -0.04 -0.76 -0.17 0.00 0.00 175.17 173.87 1xq4 s LEU 13 N 0.67 1.38 -0.11 -1.34 1.43 -1.26 -1.27 118.68 118.17 1xq4 s LEU 13 Ca -0.03 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1xq4 s LEU 13 Cb -0.05 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.74 1xq4 s LEU 13 CO -0.05 -0.05 0.02 0.42 0.23 0.00 0.00 176.35 176.92 1xq4 s THR 14 N 0.82 4.42 -0.12 5.49 -4.23 -0.79 -4.93 115.64 116.30 1xq4 s THR 14 Ca -0.10 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1xq4 s THR 14 Cb -0.13 -2.90 -0.00 0.00 1.34 0.00 0.00 72.50 70.80 1xq4 s THR 14 CO -0.00 0.57 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.76 1xq4 s VAL 15 N -0.50 2.43 -0.02 2.29 1.01 -1.26 -1.92 120.40 122.43 1xq4 s VAL 15 Ca 0.09 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1xq4 s VAL 15 Cb -0.12 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1xq4 s VAL 15 CO 0.02 0.54 -0.19 -0.94 0.00 0.00 0.00 175.10 174.53 1xq4 s SER 16 N 0.41 2.27 -0.02 3.32 1.04 -0.61 -4.82 113.70 115.29 1xq4 s SER 16 Ca -0.14 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1xq4 s SER 16 Cb -0.17 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.64 1xq4 s SER 16 CO 0.06 0.23 -0.16 -0.69 0.98 0.00 0.00 173.24 173.67 1xq4 s VAL 17 N -0.39 1.26 -0.31 5.02 1.01 -1.26 -0.16 120.40 125.56 1xq4 s VAL 17 Ca 0.06 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1xq4 s VAL 17 Cb -0.08 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.32 1xq4 s VAL 17 CO -0.00 0.36 -0.00 -0.89 0.00 0.00 0.00 175.10 174.57 1xq4 s THR 18 N -0.22 2.24 0.90 3.92 2.01 -0.42 -4.95 115.64 119.12 1xq4 s THR 18 Ca 0.03 -2.12 -0.11 0.00 0.31 0.00 0.00 61.69 59.79 1xq4 s THR 18 Cb -0.08 -2.55 0.20 0.00 0.01 0.00 0.00 72.50 70.08 1xq4 s THR 18 CO 0.00 -0.42 1.23 -0.81 -0.69 0.00 0.00 174.62 173.93 1xq4 n PRO 19 N 4.31 -0.92 0.00 4.92 -0.04 -1.26 -2.19 135.00 139.82 1xq4 n PRO 19 Ca -0.02 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1xq4 n PRO 19 Cb 0.42 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1xq4 n PRO 19 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1xq4 n ARG 20 N -3.52 0.00 -1.61 0.54 1.85 -0.25 -4.93 116.66 108.75 1xq4 n ARG 20 Ca 0.17 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.62 1xq4 n ARG 20 Cb 0.59 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 32.02 1xq4 n ARG 20 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1xq4 n TYR 21 N 0.00 0.96 -3.87 2.89 9.36 -1.26 -1.55 117.16 123.70 1xq4 n TYR 21 Ca 0.00 0.50 -0.30 0.00 3.32 0.00 0.00 57.90 61.43 1xq4 n TYR 21 Cb 0.00 -2.19 -0.14 0.00 -0.63 0.00 0.00 39.34 36.39 1xq4 n TYR 21 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1xq4 s VAL 22 N -1.39 2.18 0.17 2.97 1.01 0.20 -4.82 120.40 120.72 1xq4 s VAL 22 Ca 0.68 -3.07 -0.15 0.00 0.00 0.00 0.00 61.98 59.43 1xq4 s VAL 22 Cb -0.50 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1xq4 s VAL 22 CO 0.54 -0.84 1.72 -0.65 0.00 0.00 0.00 175.10 175.87 1xq4 h PRO 23 N 6.56 0.20 0.00 2.72 0.11 -1.90 -2.71 132.00 136.97 1xq4 h PRO 23 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1xq4 h PRO 23 Cb 0.90 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1xq4 h PRO 23 CO 0.62 0.13 0.43 0.93 -0.21 0.00 0.00 178.00 179.90 1xq4 h GLU 24 N 0.21 0.00 -0.37 1.05 3.07 -1.96 -1.95 114.58 114.63 1xq4 h GLU 24 Ca 0.20 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.82 1xq4 h GLU 24 Cb 0.24 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.75 1xq4 h GLU 24 CO -0.26 0.00 -1.09 0.00 -1.40 0.00 0.00 179.01 176.25 1xq4 n GLN 25 N -2.21 1.51 -3.79 2.33 10.64 -1.03 -5.07 117.38 119.76 1xq4 n GLN 25 Ca -0.01 -3.28 -0.13 0.00 -1.83 0.00 0.00 57.00 51.75 1xq4 n GLN 25 Cb 0.46 -1.37 -0.12 0.00 -0.86 0.00 0.00 30.24 28.34 1xq4 n GLN 25 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1xq4 s SER 26 N -3.51 -0.21 -0.61 2.61 1.04 -0.73 -4.60 113.70 107.69 1xq4 s SER 26 Ca 0.29 0.41 -0.00 0.00 0.48 0.00 0.00 55.95 57.12 1xq4 s SER 26 Cb 0.33 0.39 0.16 0.00 0.10 0.00 0.00 66.02 67.00 1xq4 s SER 26 CO -0.06 -0.08 0.40 -0.62 0.98 0.00 0.00 173.24 173.86 1xq4 s ASP 27 N 0.29 4.94 0.32 7.02 2.15 0.58 -4.90 116.67 127.08 1xq4 s ASP 27 Ca -0.02 -3.02 0.23 0.00 0.43 0.00 0.00 52.55 50.18 1xq4 s ASP 27 Cb -0.03 -1.78 1.18 0.00 -0.30 0.00 0.00 42.92 42.00 1xq4 s ASP 27 CO -0.01 -0.30 1.71 1.55 -0.17 0.00 0.00 175.17 177.95 1xq4 h PRO 28 N 6.70 0.00 0.00 4.34 0.13 -1.93 0.21 132.00 141.44 1xq4 h PRO 28 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1xq4 h PRO 28 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1xq4 h PRO 28 CO 0.71 0.00 -0.12 0.77 -0.23 0.00 0.00 178.00 179.13 1xq4 h SER 29 N 0.00 0.00 -0.11 1.44 0.02 -1.92 -2.67 113.55 110.31 1xq4 h SER 29 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1xq4 h SER 29 Cb 0.10 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.45 1xq4 h SER 29 CO 0.00 0.12 -0.73 0.00 -1.14 0.00 0.00 176.83 175.08 1xq4 n GLN 30 N -3.72 1.38 -2.00 3.45 6.02 -0.06 -4.98 117.38 117.48 1xq4 n GLN 30 Ca -0.02 -3.05 -0.17 0.00 -0.01 0.00 0.00 57.00 53.75 1xq4 n GLN 30 Cb 0.23 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 1xq4 n GLN 30 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xq4 n GLN 31 N -0.58 -1.66 -3.31 -1.09 3.00 -1.01 -4.93 117.38 107.81 1xq4 n GLN 31 Ca 0.17 0.93 -0.46 0.00 -0.01 0.00 0.00 57.00 57.63 1xq4 n GLN 31 Cb 0.86 -5.43 -0.02 0.00 0.00 0.00 0.00 30.24 25.66 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 -4.32 3.75 -0.13 -1.09 -0.21 -0.49 -3.51 119.66 113.66 1xq4 s GLN 32 Ca 0.00 -2.61 -0.14 0.00 0.02 0.00 0.00 55.36 52.63 1xq4 s GLN 32 Cb 0.00 -4.49 -0.05 0.00 1.00 0.00 0.00 33.01 29.47 1xq4 s GLN 32 CO 0.00 -1.31 0.32 0.71 -2.12 0.00 0.00 175.29 172.90 1xq4 s TYR 33 N -0.04 3.52 -0.23 0.91 1.51 0.73 -0.31 117.35 123.44 1xq4 s TYR 33 Ca 0.22 0.69 0.02 0.00 -1.01 0.00 0.00 57.07 56.99 1xq4 s TYR 33 Cb -0.10 -2.33 0.05 0.00 -0.11 0.00 0.00 41.96 39.47 1xq4 s TYR 33 CO -0.09 0.33 -0.11 0.08 -1.11 0.00 0.00 175.55 174.66 1xq4 s VAL 34 N 0.14 1.90 0.01 0.71 1.01 -1.26 -0.07 120.40 122.83 1xq4 s VAL 34 Ca 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1xq4 s VAL 34 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1xq4 s VAL 34 CO 0.06 0.06 0.07 -0.36 0.00 0.00 0.00 175.10 174.94 1xq4 s PHE 35 N 1.25 3.25 -0.08 5.22 0.40 -0.37 -0.63 117.98 127.03 1xq4 s PHE 35 Ca -0.05 0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 1xq4 s PHE 35 Cb -0.18 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1xq4 s PHE 35 CO -0.07 0.54 -0.08 0.00 0.70 0.00 0.00 175.22 176.31 1xq4 s ALA 36 N -1.22 2.91 0.01 5.36 0.00 -0.59 -0.17 121.76 128.05 1xq4 s ALA 36 Ca 0.24 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xq4 s ALA 36 Cb -0.12 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1xq4 s ALA 36 CO 0.15 0.51 -0.06 1.52 0.00 0.00 0.00 175.76 177.88 1xq4 s TYR 37 N -0.61 0.53 -0.04 0.00 -0.85 0.14 -1.09 117.35 115.43 1xq4 s TYR 37 Ca 0.09 -0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.46 1xq4 s TYR 37 Cb -0.12 -0.33 -0.02 0.00 0.38 0.00 0.00 41.96 41.87 1xq4 s TYR 37 CO 0.02 -0.03 -0.18 0.99 -1.52 0.00 0.00 175.55 174.83 1xq4 s THR 38 N -0.54 2.76 -0.02 -3.49 2.01 -0.93 -0.20 115.64 115.24 1xq4 s THR 38 Ca -0.02 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.21 1xq4 s THR 38 Cb -0.05 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 1xq4 s THR 38 CO -0.00 0.59 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.62 1xq4 s VAL 39 N -0.70 2.49 -0.24 3.82 1.01 0.62 -1.30 120.40 126.09 1xq4 s VAL 39 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1xq4 s VAL 39 Cb -0.10 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.40 1xq4 s VAL 39 CO 0.00 0.53 -0.05 -0.13 0.00 0.00 0.00 175.10 175.45 1xq4 s ARG 40 N -0.82 1.65 -0.28 2.72 0.52 0.77 -2.40 118.95 121.10 1xq4 s ARG 40 Ca 0.11 -1.06 -0.09 0.00 -0.52 0.00 0.00 55.73 54.17 1xq4 s ARG 40 Cb -0.10 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 1xq4 s ARG 40 CO 0.01 -0.62 0.13 0.42 0.02 0.00 0.00 175.30 175.26 1xq4 s ILE 41 N 1.35 4.73 -0.02 1.52 1.01 -0.61 -1.58 121.20 127.60 1xq4 s ILE 41 Ca -0.05 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.53 1xq4 s ILE 41 Cb -0.19 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1xq4 s ILE 41 CO -0.07 0.23 -0.21 -0.89 0.00 0.00 0.00 174.94 174.00 1xq4 s THR 42 N 1.66 1.70 -0.69 2.92 2.01 -0.81 -0.23 115.64 122.20 1xq4 s THR 42 Ca 0.06 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.89 1xq4 s THR 42 Cb -0.16 -1.42 0.04 0.00 0.01 0.00 0.00 72.50 70.97 1xq4 s THR 42 CO 0.07 0.48 1.17 0.21 -0.69 0.00 0.00 174.62 175.86 1xq4 s ASN 43 N -0.43 6.20 0.03 3.53 3.04 0.60 -1.88 114.94 126.02 1xq4 s ASN 43 Ca 0.06 -0.54 -0.03 0.00 0.04 0.00 0.00 52.86 52.39 1xq4 s ASN 43 Cb -0.09 -2.51 -0.28 0.00 -1.54 0.00 0.00 41.25 36.83 1xq4 s ASN 43 CO -0.00 -1.67 0.97 0.71 -3.04 0.00 0.00 177.10 174.07 1xq4 h THR 44 N 6.02 1.29 -3.20 -5.21 1.35 -1.62 -1.03 112.91 110.51 1xq4 h THR 44 Ca -0.28 -2.90 -0.41 0.00 -0.55 0.00 0.00 66.41 62.27 1xq4 h THR 44 Cb 1.06 2.83 0.21 0.00 -1.73 0.00 0.00 68.15 70.52 1xq4 h THR 44 CO 1.23 0.84 -0.03 -0.83 -0.25 0.00 0.00 175.52 176.49 1xq4 s GLY 45 N -4.83 1.49 0.00 5.82 0.00 -0.39 -4.87 107.32 104.53 1xq4 s GLY 45 Ca -0.07 -0.53 0.28 0.00 0.00 0.00 0.00 44.72 44.40 1xq4 s GLY 45 CO 0.87 0.33 1.73 -1.14 0.00 0.00 0.00 173.10 174.89 1xq4 n SER 46 N -5.21 1.31 -4.30 1.64 3.41 0.44 -4.60 113.62 106.31 1xq4 n SER 46 Ca 0.08 -1.32 -0.21 0.00 -0.26 0.00 0.00 58.87 57.16 1xq4 n SER 46 Cb 0.57 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.13 1.73 0.45 7.33 3.76 -0.08 -4.83 115.29 121.52 1xq4 s HIS 47 Ca 0.35 -0.48 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 1xq4 s HIS 47 Cb 0.21 -0.88 -0.08 0.00 1.11 0.00 0.00 32.58 32.93 1xq4 s HIS 47 CO 0.38 0.27 1.36 -2.14 -0.85 0.00 0.00 174.74 173.76 1xq4 s PRO 48 N -2.60 3.70 0.07 8.40 0.02 -1.26 -4.42 135.00 138.91 1xq4 s PRO 48 Ca 0.12 2.27 -0.05 0.00 0.02 0.00 0.00 61.00 63.36 1xq4 s PRO 48 Cb -0.06 -2.62 -0.02 0.00 0.02 0.00 0.00 34.50 31.82 1xq4 s PRO 48 CO 0.05 -0.75 0.09 0.00 -0.33 0.00 0.00 177.00 176.07 1xq4 s ALA 49 N -1.25 0.09 0.03 -1.55 0.00 -0.96 -0.98 121.76 117.13 1xq4 s ALA 49 Ca 0.61 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1xq4 s ALA 49 Cb -0.41 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1xq4 s ALA 49 CO 0.51 -0.43 -0.08 -1.14 0.00 0.00 0.00 175.76 174.62 1xq4 s GLN 50 N -3.76 0.54 -0.22 0.00 0.74 0.42 0.09 119.66 117.48 1xq4 s GLN 50 Ca 0.05 -0.61 -0.15 0.00 0.05 0.00 0.00 55.36 54.70 1xq4 s GLN 50 Cb 0.06 -0.40 -0.04 0.00 1.10 0.00 0.00 33.01 33.73 1xq4 s GLN 50 CO -0.10 0.09 0.37 0.08 -0.55 0.00 0.00 175.29 175.18 1xq4 s VAL 51 N -0.98 5.21 -0.15 1.34 1.01 -0.19 -1.65 120.40 124.99 1xq4 s VAL 51 Ca -0.05 0.63 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1xq4 s VAL 51 Cb -0.08 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1xq4 s VAL 51 CO 0.00 0.24 -0.30 -0.38 0.00 0.00 0.00 175.10 174.67 1xq4 n ILE 52 N 4.48 1.45 -4.10 2.22 2.08 0.02 -4.03 119.36 121.48 1xq4 n ILE 52 Ca -0.09 0.15 -0.08 0.00 0.56 0.00 0.00 62.75 63.29 1xq4 n ILE 52 Cb 0.51 -2.21 -0.10 0.00 -0.75 0.00 0.00 39.64 37.09 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 -6.00 0.41 0.19 4.38 1.04 -1.01 0.21 113.70 112.92 1xq4 s SER 53 Ca -0.25 -1.06 0.09 0.00 0.48 0.00 0.00 55.95 55.20 1xq4 s SER 53 Cb 0.04 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1xq4 s SER 53 CO 0.37 -0.65 -0.18 0.00 0.98 0.00 0.00 173.24 173.76 1xq4 s ARG 54 N -3.96 1.36 -0.07 4.02 1.70 -0.83 0.88 118.95 122.04 1xq4 s ARG 54 Ca 0.13 -1.51 -0.03 0.00 -0.47 0.00 0.00 55.73 53.86 1xq4 s ARG 54 Cb 0.08 -1.37 0.04 0.00 -0.57 0.00 0.00 34.95 33.12 1xq4 s ARG 54 CO -0.06 0.27 0.07 -1.58 -1.08 0.00 0.00 175.30 172.92 1xq4 s HIS 55 N -2.31 0.09 -0.07 5.89 2.46 -0.09 -2.81 115.29 118.45 1xq4 s HIS 55 Ca 0.20 0.13 0.04 0.00 0.47 0.00 0.00 55.06 55.90 1xq4 s HIS 55 Cb -0.05 -0.52 -0.02 0.00 -0.13 0.00 0.00 32.58 31.86 1xq4 s HIS 55 CO 0.08 -0.27 -0.17 -1.58 -2.47 0.00 0.00 174.74 170.33 1xq4 s TRP 56 N 2.17 2.64 -0.48 3.88 0.23 0.09 -1.11 118.94 126.36 1xq4 s TRP 56 Ca 0.04 -0.39 0.04 0.00 -2.03 0.00 0.00 56.10 53.76 1xq4 s TRP 56 Cb -0.13 -1.66 0.12 0.00 0.03 0.00 0.00 33.47 31.84 1xq4 s TRP 56 CO -0.04 0.01 0.22 0.42 0.96 0.00 0.00 176.95 178.51 1xq4 s ILE 57 N -0.39 2.48 -0.20 2.03 1.01 0.12 -1.07 121.20 125.19 1xq4 s ILE 57 Ca 0.04 -3.11 -0.19 0.00 0.00 0.00 0.00 60.65 57.40 1xq4 s ILE 57 Cb -0.12 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1xq4 s ILE 57 CO 0.02 -0.76 0.53 0.27 0.00 0.00 0.00 174.94 175.00 1xq4 s ILE 58 N -0.04 5.09 -0.18 2.92 -4.36 -0.67 -2.62 121.20 121.35 1xq4 s ILE 58 Ca 0.16 0.99 -0.09 0.00 -0.26 0.00 0.00 60.65 61.44 1xq4 s ILE 58 Cb -0.25 -3.86 -0.05 0.00 1.25 0.00 0.00 42.46 39.56 1xq4 s ILE 58 CO -0.02 0.16 0.14 -0.89 0.24 0.00 0.00 174.94 174.58 1xq4 s THR 59 N 1.69 5.43 0.60 8.37 2.01 0.11 -2.33 115.64 131.52 1xq4 s THR 59 Ca 0.25 0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.31 1xq4 s THR 59 Cb -0.15 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 1xq4 s THR 59 CO 0.10 0.48 1.05 -0.62 -0.69 0.00 0.00 174.62 174.94 1xq4 s ASP 60 N -0.00 5.82 0.62 3.53 2.15 0.27 -1.77 116.67 127.29 1xq4 s ASP 60 Ca 0.10 1.74 0.33 0.00 0.43 0.00 0.00 52.55 55.15 1xq4 s ASP 60 Cb -0.11 -2.52 1.83 0.00 -0.30 0.00 0.00 42.92 41.82 1xq4 s ASP 60 CO -0.00 -1.14 2.13 1.23 -0.17 0.00 0.00 175.17 177.21 1xq4 h GLY 61 N 0.26 0.00 -3.00 2.66 0.00 -1.79 0.29 103.07 101.50 1xq4 h GLY 61 Ca -0.46 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.66 1xq4 h GLY 61 CO 0.58 0.00 0.20 1.18 0.00 0.00 0.00 176.54 178.50 1xq4 n GLU 62 N -3.45 2.99 -1.34 4.80 -0.58 -1.26 -4.91 120.64 116.89 1xq4 n GLU 62 Ca -0.00 -3.06 -0.12 0.00 -0.42 0.00 0.00 57.16 53.56 1xq4 n GLU 62 Cb 0.28 -2.06 -0.05 0.00 -0.57 0.00 0.00 31.44 29.04 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 -0.56 -1.12 -2.85 3.49 4.07 0.10 -4.98 120.64 118.80 1xq4 n GLU 63 Ca 0.38 0.87 -0.38 0.00 -0.06 0.00 0.00 57.16 57.98 1xq4 n GLU 63 Cb 1.27 -4.99 -0.06 0.00 -0.06 0.00 0.00 31.44 27.59 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 -2.85 4.60 0.15 5.31 3.00 -1.25 -4.73 118.95 123.17 1xq4 s ARG 64 Ca 0.00 1.28 0.09 0.00 0.00 0.00 0.00 55.73 57.10 1xq4 s ARG 64 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 34.95 31.93 1xq4 s ARG 64 CO 0.00 0.39 -0.16 0.08 0.00 0.00 0.00 175.30 175.61 1xq4 s VAL 65 N -1.44 2.88 -0.05 3.52 1.01 -1.26 0.97 120.40 126.02 1xq4 s VAL 65 Ca 0.45 -1.63 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1xq4 s VAL 65 Cb -0.21 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.84 1xq4 s VAL 65 CO 0.26 0.00 0.12 -1.10 0.00 0.00 0.00 175.10 174.38 1xq4 s GLN 66 N -2.43 0.07 0.12 2.72 -1.52 -0.98 -5.00 119.66 112.63 1xq4 s GLN 66 Ca 0.20 0.31 0.07 0.00 -1.95 0.00 0.00 55.36 53.99 1xq4 s GLN 66 Cb -0.10 -0.17 -0.04 0.00 -0.22 0.00 0.00 33.01 32.48 1xq4 s GLN 66 CO 0.12 -0.15 -0.06 -2.00 -0.25 0.00 0.00 175.29 172.94 1xq4 s GLU 67 N 1.05 2.25 -0.03 2.91 2.12 -1.26 -1.66 118.70 124.07 1xq4 s GLU 67 Ca -0.08 -1.02 0.02 0.00 0.36 0.00 0.00 54.97 54.25 1xq4 s GLU 67 Cb -0.11 -2.35 0.01 0.00 0.26 0.00 0.00 34.13 31.94 1xq4 s GLU 67 CO -0.05 0.50 -0.08 0.08 -0.54 0.00 0.00 175.26 175.17 1xq4 s VAL 68 N -1.36 0.72 -0.08 3.70 1.01 -0.23 -4.97 120.40 119.19 1xq4 s VAL 68 Ca 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1xq4 s VAL 68 Cb -0.11 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1xq4 s VAL 68 CO 0.16 0.24 0.15 -0.13 0.00 0.00 0.00 175.10 175.52 1xq4 s ARG 69 N 0.35 0.03 0.30 2.72 1.81 -1.26 -0.73 118.95 122.17 1xq4 s ARG 69 Ca -0.05 0.54 -0.19 0.00 -1.72 0.00 0.00 55.73 54.30 1xq4 s ARG 69 Cb -0.10 -0.27 0.05 0.00 -0.45 0.00 0.00 34.95 34.18 1xq4 s ARG 69 CO 0.01 -0.30 0.82 0.20 -0.68 0.00 0.00 175.30 175.35 1xq4 s GLY 70 N 2.19 0.11 -0.04 -3.53 0.00 -1.12 -5.05 107.32 99.88 1xq4 s GLY 70 Ca 0.02 -0.44 -0.14 0.00 0.00 0.00 0.00 44.72 44.15 1xq4 s GLY 70 CO -0.06 0.17 0.38 1.08 0.00 0.00 0.00 173.10 174.67 1xq4 s LEU 71 N -3.05 4.43 0.27 0.66 1.43 -1.26 -1.96 118.68 119.19 1xq4 s LEU 71 Ca 0.15 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1xq4 s LEU 71 Cb -0.05 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1xq4 s LEU 71 CO 0.08 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1xq4 n GLY 72 N 2.12 -1.99 3.13 -3.19 0.00 0.56 -4.66 105.19 101.16 1xq4 n GLY 72 Ca -0.14 -1.26 -0.33 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 -2.24 2.47 -1.48 1.61 -7.23 0.67 -4.48 120.40 109.72 1xq4 s VAL 73 Ca 0.00 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 58.81 1xq4 s VAL 73 Cb 0.00 -2.31 0.06 0.00 0.56 0.00 0.00 36.38 34.68 1xq4 s VAL 73 CO 0.00 0.14 0.72 0.55 -0.31 0.00 0.00 175.10 176.20 1xq4 n VAL 74 N 4.57 -2.70 -1.65 1.32 3.14 -1.26 -1.42 118.33 120.33 1xq4 n VAL 74 Ca -0.16 -0.26 -0.11 0.00 -2.96 0.00 0.00 64.34 60.85 1xq4 n VAL 74 Cb 0.45 -2.78 -0.03 0.00 -1.06 0.00 0.00 33.84 30.42 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 0.74 3.11 7.55 0.00 -1.26 -5.02 105.19 108.61 1xq4 n GLY 75 Ca -0.13 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.54 0.68 -0.48 1.61 -1.52 -0.50 -5.05 119.66 110.84 1xq4 s GLN 76 Ca 0.00 -0.80 0.07 0.00 -1.95 0.00 0.00 55.36 52.68 1xq4 s GLN 76 Cb 0.00 -0.57 0.24 0.00 -0.22 0.00 0.00 33.01 32.46 1xq4 s GLN 76 CO 0.00 0.12 0.58 1.04 -0.25 0.00 0.00 175.29 176.79 1xq4 n GLN 77 N 1.52 1.30 -1.71 2.91 6.02 -1.26 -0.24 117.38 125.92 1xq4 n GLN 77 Ca -0.21 -3.72 -0.43 0.00 -0.01 0.00 0.00 57.00 52.63 1xq4 n GLN 77 Cb 0.55 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 1xq4 n GLN 77 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1xq4 n PRO 78 N 1.31 2.28 -3.55 -1.09 -0.04 -1.26 -4.51 135.00 128.15 1xq4 n PRO 78 Ca 0.24 0.81 -0.41 0.00 -0.04 0.00 0.00 63.50 64.10 1xq4 n PRO 78 Cb 0.48 -2.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.40 1xq4 n PRO 78 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xq4 s LEU 79 N -0.57 5.88 -0.29 1.53 0.20 -1.26 -1.02 118.68 123.15 1xq4 s LEU 79 Ca 0.62 -2.62 -0.28 0.00 0.69 0.00 0.00 54.13 52.54 1xq4 s LEU 79 Cb -0.57 -2.01 0.01 0.00 -0.43 0.00 0.00 46.19 43.18 1xq4 s LEU 79 CO 0.55 -0.50 1.00 -0.76 -0.29 0.00 0.00 176.35 176.34 1xq4 s LEU 80 N 0.28 4.02 0.77 -0.68 1.43 0.11 -4.87 118.68 119.75 1xq4 s LEU 80 Ca 0.15 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1xq4 s LEU 80 Cb -0.18 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.66 1xq4 s LEU 80 CO -0.05 -0.75 1.10 0.00 0.23 0.00 0.00 176.35 176.89 1xq4 s ALA 81 N 3.35 2.19 0.14 4.21 0.00 -1.26 -2.26 121.76 128.12 1xq4 s ALA 81 Ca 0.42 0.36 -0.32 0.00 0.00 0.00 0.00 51.96 52.41 1xq4 s ALA 81 Cb -0.14 -3.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 1xq4 s ALA 81 CO 0.12 -1.82 1.76 -0.35 0.00 0.00 0.00 175.76 175.46 1xq4 n PRO 82 N -3.44 2.62 0.00 0.00 -0.04 -1.26 -0.70 135.00 132.17 1xq4 n PRO 82 Ca 0.10 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1xq4 n PRO 82 Cb 0.53 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 4.00 2.88 3.84 0.55 0.00 -0.39 -5.01 105.19 111.05 1xq4 n GLY 83 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1xq4 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xq4 s GLU 84 N -0.19 3.28 -0.04 1.61 2.02 0.12 -4.67 118.70 120.83 1xq4 s GLU 84 Ca 0.00 0.91 -0.08 0.00 0.02 0.00 0.00 54.97 55.82 1xq4 s GLU 84 Cb 0.00 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.21 1xq4 s GLU 84 CO 0.00 -0.82 0.18 0.95 0.02 0.00 0.00 175.26 175.59 1xq4 s THR 85 N -3.00 0.04 -0.06 3.63 -4.23 -1.26 -0.29 115.64 110.46 1xq4 s THR 85 Ca 0.58 -0.33 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1xq4 s THR 85 Cb -0.13 -0.37 -0.01 0.00 1.34 0.00 0.00 72.50 73.33 1xq4 s THR 85 CO 0.51 -0.18 -0.23 0.12 -0.54 0.00 0.00 174.62 174.30 1xq4 s PHE 86 N -0.63 2.33 0.04 3.99 2.19 0.68 -4.96 117.98 121.61 1xq4 s PHE 86 Ca -0.07 -0.74 0.05 0.00 0.33 0.00 0.00 56.93 56.49 1xq4 s PHE 86 Cb -0.04 -1.54 -0.02 0.00 -1.31 0.00 0.00 43.02 40.11 1xq4 s PHE 86 CO 0.01 -0.25 -0.14 -1.83 1.83 0.00 0.00 175.22 174.84 1xq4 s GLU 87 N -0.03 0.92 0.07 10.12 -1.05 -1.26 -1.57 118.70 125.90 1xq4 s GLU 87 Ca -0.07 -0.78 -0.07 0.00 -0.15 0.00 0.00 54.97 53.91 1xq4 s GLU 87 Cb -0.14 -0.93 -0.01 0.00 -0.44 0.00 0.00 34.13 32.61 1xq4 s GLU 87 CO 0.04 0.23 0.13 1.52 0.95 0.00 0.00 175.26 178.13 1xq4 s TYR 88 N -0.90 0.22 -0.07 4.83 -0.85 -1.01 -4.96 117.35 114.61 1xq4 s TYR 88 Ca 0.01 -0.64 0.05 0.00 -0.52 0.00 0.00 57.07 55.97 1xq4 s TYR 88 Cb -0.08 -0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 1xq4 s TYR 88 CO 0.01 -0.48 -0.25 0.99 -1.52 0.00 0.00 175.55 174.31 1xq4 s THR 89 N -3.60 2.05 0.17 -3.49 2.01 -1.26 -0.28 115.64 111.24 1xq4 s THR 89 Ca 0.03 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1xq4 s THR 89 Cb 0.04 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1xq4 s THR 89 CO -0.09 0.57 0.14 -0.55 -0.69 0.00 0.00 174.62 173.99 1xq4 s SER 90 N -0.00 0.19 0.36 3.53 0.15 0.72 -4.96 113.70 113.68 1xq4 s SER 90 Ca -0.08 -1.24 0.08 0.00 0.70 0.00 0.00 55.95 55.41 1xq4 s SER 90 Cb -0.15 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 1xq4 s SER 90 CO 0.05 -0.82 0.29 -0.83 1.20 0.00 0.00 173.24 173.13 1xq4 s GLY 91 N -3.09 1.93 -0.18 9.45 0.00 -1.26 0.25 107.32 114.43 1xq4 s GLY 91 Ca 0.30 -1.77 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 1xq4 s GLY 91 CO 0.07 -1.65 0.35 0.00 0.00 0.00 0.00 173.10 171.87 1xq4 s PRO 93 N 2.53 4.00 -0.12 0.00 0.04 -1.26 -1.23 135.00 138.96 1xq4 s PRO 93 Ca 0.01 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 1xq4 s PRO 93 Cb -0.12 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.00 1xq4 s PRO 93 CO -0.11 0.17 0.32 -0.51 0.04 0.00 0.00 177.00 176.90 1xq4 s LEU 94 N -2.95 0.77 0.00 -3.56 1.43 0.90 -4.98 118.68 110.29 1xq4 s LEU 94 Ca 0.54 0.64 0.29 0.00 -1.03 0.00 0.00 54.13 54.57 1xq4 s LEU 94 Cb -0.10 1.11 1.30 0.00 0.03 0.00 0.00 46.19 48.52 1xq4 s LEU 94 CO 0.18 -0.12 1.89 -0.81 0.23 0.00 0.00 176.35 177.72 1xq4 n PRO 95 N 2.88 1.44 -4.20 1.29 -0.04 -1.23 -0.19 135.00 134.95 1xq4 n PRO 95 Ca -0.13 -0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 62.50 1xq4 n PRO 95 Cb 0.58 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.02 1.16 -0.84 0.52 -4.23 -1.26 -4.69 115.64 104.29 1xq4 s THR 96 Ca 0.41 -1.56 0.18 0.00 -1.18 0.00 0.00 61.69 59.53 1xq4 s THR 96 Cb 0.21 -1.34 0.16 0.00 1.34 0.00 0.00 72.50 72.88 1xq4 s THR 96 CO 0.35 -0.39 1.55 -0.81 -0.54 0.00 0.00 174.62 174.78 1xq4 n PRO 97 N 0.78 0.06 -4.07 3.99 -0.04 -1.26 -4.72 135.00 129.74 1xq4 n PRO 97 Ca -0.17 0.30 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1xq4 n PRO 97 Cb 0.56 -1.61 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.10 0.35 0.09 0.52 -5.25 -1.26 -4.24 121.20 108.32 1xq4 s ILE 98 Ca 0.06 -0.49 -0.27 0.00 -0.99 0.00 0.00 60.65 58.97 1xq4 s ILE 98 Cb 0.10 -0.36 0.08 0.00 2.95 0.00 0.00 42.46 45.23 1xq4 s ILE 98 CO 0.31 -0.10 1.04 -0.83 -1.79 0.00 0.00 174.94 173.58 1xq4 s GLY 99 N -0.63 -0.30 0.00 6.27 0.00 -0.25 -2.42 107.32 110.00 1xq4 s GLY 99 Ca -0.03 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1xq4 s GLY 99 CO -0.00 0.07 0.00 -1.30 0.00 0.00 0.00 173.10 171.87 1xq4 n THR 100 N -0.45 0.00 0.00 0.90 -2.24 -0.73 0.14 114.28 111.91 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 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.39 -0.78 1.85 -1.08 0.07 116.66 115.33 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 -1.13 1.29 3.16 2.89 0.00 -1.11 0.16 105.19 110.45 1xq4 n GLY 103 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.54 0.98 -0.11 2.61 2.01 -0.26 0.14 115.64 118.47 1xq4 s THR 104 Ca 0.00 -1.45 0.03 0.00 0.31 0.00 0.00 61.69 60.57 1xq4 s THR 104 Cb 0.00 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1xq4 s THR 104 CO 0.00 -0.41 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.01 1xq4 s TYR 105 N -1.86 2.64 -0.28 4.92 2.02 -0.79 -0.92 117.35 123.08 1xq4 s TYR 105 Ca 0.01 -0.89 -0.17 0.00 -0.37 0.00 0.00 57.07 55.65 1xq4 s TYR 105 Cb -0.07 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 1xq4 s TYR 105 CO 0.01 -0.33 0.48 -1.01 -1.57 0.00 0.00 175.55 173.13 1xq4 s HIS 106 N 0.30 3.25 0.43 2.71 3.76 0.25 -2.18 115.29 123.81 1xq4 s HIS 106 Ca -0.15 0.52 0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1xq4 s HIS 106 Cb -0.17 -2.71 -0.06 0.00 1.11 0.00 0.00 32.58 30.74 1xq4 s HIS 106 CO 0.08 -0.31 0.01 0.00 -0.85 0.00 0.00 174.74 173.67 1xq4 s VAL 108 N -2.81 -0.01 0.80 0.00 -7.23 -0.66 0.06 120.40 110.55 1xq4 s VAL 108 Ca 0.28 0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.39 1xq4 s VAL 108 Cb 0.08 -0.30 0.10 0.00 0.56 0.00 0.00 36.38 36.81 1xq4 s VAL 108 CO 0.14 0.02 1.15 -0.83 -0.31 0.00 0.00 175.10 175.27 1xq4 s GLY 109 N 0.44 1.65 0.63 2.32 0.00 -0.83 -0.44 107.32 111.10 1xq4 s GLY 109 Ca -0.03 -0.85 0.35 0.00 0.00 0.00 0.00 44.72 44.19 1xq4 s GLY 109 CO -0.02 -0.33 2.17 1.05 0.00 0.00 0.00 173.10 175.97 1xq4 h GLU 110 N -1.01 0.00 0.00 2.90 4.11 -1.41 0.38 114.58 119.55 1xq4 h GLU 110 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1xq4 h GLU 110 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1xq4 h GLU 110 CO 0.59 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.94 1xq4 n ASN 111 N -3.36 0.00 0.00 3.06 6.94 -1.26 -4.86 115.26 115.78 1xq4 n ASN 111 Ca -0.01 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1xq4 n ASN 111 Cb 0.23 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 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 0.66 2.53 3.72 4.83 0.00 0.13 -4.99 105.19 112.08 1xq4 n GLY 112 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.75 4.40 0.52 -0.61 1.01 -1.26 -4.73 121.20 117.78 1xq4 s ILE 113 Ca 0.00 1.78 -0.18 0.00 0.00 0.00 0.00 60.65 62.25 1xq4 s ILE 113 Cb 0.00 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1xq4 s ILE 113 CO 0.00 0.17 1.03 -2.16 0.00 0.00 0.00 174.94 173.99 1xq4 s PRO 114 N 0.75 3.68 -0.03 2.79 0.04 -1.26 -1.96 135.00 139.01 1xq4 s PRO 114 Ca 0.54 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1xq4 s PRO 114 Cb -0.25 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.27 1xq4 s PRO 114 CO 0.29 -0.52 0.67 -0.59 0.04 0.00 0.00 177.00 176.89 1xq4 s PHE 115 N -2.24 -0.64 -0.07 0.56 -0.12 0.11 -4.93 117.98 110.65 1xq4 s PHE 115 Ca 0.65 1.04 -0.04 0.00 -0.05 0.00 0.00 56.93 58.52 1xq4 s PHE 115 Cb -0.15 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.62 1xq4 s PHE 115 CO 0.27 -0.63 0.11 -1.21 -0.05 0.00 0.00 175.22 173.71 1xq4 s GLU 116 N -1.46 3.28 -0.26 1.99 2.02 -1.26 -0.61 118.70 122.40 1xq4 s GLU 116 Ca -0.10 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.61 1xq4 s GLU 116 Cb -0.00 -3.03 0.07 0.00 0.10 0.00 0.00 34.13 31.27 1xq4 s GLU 116 CO 0.08 0.72 -0.05 0.54 0.02 0.00 0.00 175.26 176.57 1xq4 s VAL 117 N -1.10 1.73 0.51 2.63 0.11 -0.93 -4.97 120.40 118.38 1xq4 s VAL 117 Ca 0.19 -1.46 -0.20 0.00 -2.93 0.00 0.00 61.98 57.59 1xq4 s VAL 117 Cb -0.12 -2.00 -0.07 0.00 -1.53 0.00 0.00 36.38 32.66 1xq4 s VAL 117 CO 0.09 -0.17 1.08 -2.16 -3.33 0.00 0.00 175.10 170.60 1xq4 s PRO 118 N 1.28 3.59 -0.30 1.54 0.04 -1.26 -1.89 135.00 138.00 1xq4 s PRO 118 Ca -0.04 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1xq4 s PRO 118 Cb -0.19 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1xq4 s PRO 118 CO -0.07 -0.63 0.09 0.42 0.04 0.00 0.00 177.00 176.85 1xq4 s ILE 119 N -1.91 4.07 0.34 0.56 1.01 0.38 -4.81 121.20 120.84 1xq4 s ILE 119 Ca 0.70 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 1xq4 s ILE 119 Cb -0.20 -3.09 -0.11 0.00 0.01 0.00 0.00 42.46 39.08 1xq4 s ILE 119 CO 0.24 0.08 1.52 0.00 0.00 0.00 0.00 174.94 176.78 1xq4 s ALA 120 N 1.52 3.64 -0.18 9.38 0.00 -1.26 -2.77 121.76 132.09 1xq4 s ALA 120 Ca 0.03 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.27 1xq4 s ALA 120 Cb -0.17 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.27 1xq4 s ALA 120 CO 0.03 -1.02 2.13 -2.00 0.00 0.00 0.00 175.76 174.90 1xq4 s GLU 121 N -1.47 3.33 0.33 0.00 2.12 -1.26 -4.76 118.70 117.00 1xq4 s GLU 121 Ca 0.57 2.07 0.09 0.00 0.36 0.00 0.00 54.97 58.06 1xq4 s GLU 121 Cb -0.47 -4.32 -0.05 0.00 0.26 0.00 0.00 34.13 29.55 1xq4 s GLU 121 CO 0.57 -1.88 0.02 -0.59 -0.54 0.00 0.00 175.26 172.85 1xq4 s PHE 122 N 7.48 2.57 0.24 5.30 -0.71 -1.26 -5.01 117.98 126.59 1xq4 s PHE 122 Ca 0.96 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 56.52 1xq4 s PHE 122 Cb -0.34 -1.48 -0.04 0.00 -1.21 0.00 0.00 43.02 39.95 1xq4 s PHE 122 CO 0.36 0.47 0.04 -0.48 -1.34 0.00 0.00 175.22 174.27 1xq4 s LEU 123 N -3.73 3.36 -0.11 -1.99 2.34 -1.26 -4.35 118.68 112.94 1xq4 s LEU 123 Ca 0.35 -0.49 0.03 0.00 0.06 0.00 0.00 54.13 54.07 1xq4 s LEU 123 Cb -0.01 -1.92 -0.00 0.00 -0.56 0.00 0.00 46.19 43.70 1xq4 s LEU 123 CO 0.20 0.02 -0.20 -0.76 -1.06 0.00 0.00 176.35 174.54 1xq4 s LEU 124 N -3.52 2.30 0.00 1.48 1.02 0.38 -4.82 118.68 115.52 1xq4 s LEU 124 Ca 0.31 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.97 1xq4 s LEU 124 Cb -0.07 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.66 1xq4 s LEU 124 CO 0.21 0.16 0.00 0.00 0.02 0.00 0.00 176.35 176.74 1xq4 n ALA 125 N 3.52 0.00 0.29 4.21 0.00 -1.26 -1.09 120.51 126.18 1xq4 n ALA 125 Ca -0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.30 1xq4 n ALA 125 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1xq4 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xq4 n PRO 127 N 0.00 2.22 0.00 0.00 -0.04 -1.26 -4.47 135.00 131.45 1xq4 n PRO 127 Ca 0.00 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1xq4 n PRO 127 Cb 0.00 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1xq4 n PRO 127 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00