#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqb n ASP 3 N 0.00 -0.80 -3.64 6.41 10.43 -1.26 -5.10 116.55 122.60 1xqb n ASP 3 Ca 0.00 -0.15 -0.07 0.00 2.57 0.00 0.00 54.79 57.14 1xqb n ASP 3 Cb 0.00 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 42.89 1xqb n ASP 3 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1xqb s LEU 4 N 0.00 -0.84 -0.26 0.64 2.96 -1.26 -5.15 118.68 114.77 1xqb s LEU 4 Ca 0.00 1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 55.19 1xqb s LEU 4 Cb 0.00 2.26 -0.03 0.00 0.50 0.00 0.00 46.19 48.92 1xqb s LEU 4 CO 0.00 -0.22 0.11 -0.89 -1.32 0.00 0.00 176.35 174.03 1xqb s THR 5 N 1.46 4.62 -0.03 3.68 2.01 -1.26 -5.08 115.64 121.03 1xqb s THR 5 Ca -0.09 -0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1xqb s THR 5 Cb -0.05 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1xqb s THR 5 CO -0.17 0.29 0.35 -0.76 -0.69 0.00 0.00 174.62 173.64 1xqb s LEU 6 N 1.66 4.45 -0.16 4.42 1.43 -1.26 -5.09 118.68 124.12 1xqb s LEU 6 Ca 0.06 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1xqb s LEU 6 Cb -0.16 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 1xqb s LEU 6 CO 0.06 0.33 -0.10 -0.94 0.23 0.00 0.00 176.35 175.93 1xqb s SER 7 N -0.99 4.15 0.15 2.29 1.04 -1.26 -5.08 113.70 114.01 1xqb s SER 7 Ca 0.22 -0.34 -0.31 0.00 0.48 0.00 0.00 55.95 56.00 1xqb s SER 7 Cb -0.16 -1.66 -0.11 0.00 0.10 0.00 0.00 66.02 64.20 1xqb s SER 7 CO 0.11 0.10 1.72 -2.84 0.98 0.00 0.00 173.24 173.31 1xqb s PRO 8 N 0.73 4.16 0.02 4.02 0.02 -1.26 -4.84 135.00 137.84 1xqb s PRO 8 Ca -0.04 2.51 0.22 0.00 0.02 0.00 0.00 61.00 63.71 1xqb s PRO 8 Cb -0.15 -3.33 -0.06 0.00 0.02 0.00 0.00 34.50 30.98 1xqb s PRO 8 CO 0.02 -0.75 0.95 0.44 -0.33 0.00 0.00 177.00 177.33 1xqb n ILE 9 N 4.33 0.07 -3.77 2.83 -5.35 -0.39 -4.88 119.36 112.20 1xqb n ILE 9 Ca 0.16 -0.16 -0.06 0.00 -0.27 0.00 0.00 62.75 62.42 1xqb n ILE 9 Cb 0.38 0.48 -0.02 0.00 -1.74 0.00 0.00 39.64 38.74 1xqb n ILE 9 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xqb s ALA 10 N -3.15 -1.47 0.03 -1.28 0.00 -1.17 -0.38 121.76 114.34 1xqb s ALA 10 Ca 0.05 -0.00 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1xqb s ALA 10 Cb 0.15 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1xqb s ALA 10 CO 0.83 -1.01 -0.19 0.42 0.00 0.00 0.00 175.76 175.81 1xqb s ILE 11 N -3.58 1.50 -0.18 0.00 1.01 0.35 -0.19 121.20 120.11 1xqb s ILE 11 Ca 0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1xqb s ILE 11 Cb -0.03 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1xqb s ILE 11 CO 0.03 0.18 -0.04 -0.51 0.00 0.00 0.00 174.94 174.61 1xqb s ILE 12 N -0.76 3.68 -0.26 2.92 2.07 -0.48 -0.52 121.20 127.85 1xqb s ILE 12 Ca 0.06 -0.42 -0.15 0.00 -1.41 0.00 0.00 60.65 58.73 1xqb s ILE 12 Cb -0.08 -2.64 -0.04 0.00 0.13 0.00 0.00 42.46 39.84 1xqb s ILE 12 CO 0.01 0.46 0.39 -1.00 -1.91 0.00 0.00 174.94 172.89 1xqb s HIS 13 N 0.85 3.27 -0.02 3.50 3.76 -0.28 0.64 115.29 127.01 1xqb s HIS 13 Ca -0.01 0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1xqb s HIS 13 Cb -0.15 -2.57 0.01 0.00 1.11 0.00 0.00 32.58 30.98 1xqb s HIS 13 CO 0.02 -0.19 0.16 0.99 -0.85 0.00 0.00 174.74 174.86 1xqb s THR 14 N 1.95 0.06 0.30 1.30 2.01 -1.26 -2.21 115.64 117.79 1xqb s THR 14 Ca 0.16 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1xqb s THR 14 Cb -0.16 -0.40 0.29 0.00 0.01 0.00 0.00 72.50 72.24 1xqb s THR 14 CO 0.09 -0.27 1.87 -0.65 -0.69 0.00 0.00 174.62 174.97 1xqb h PRO 15 N 4.67 0.94 -6.37 4.92 0.11 -1.90 -3.36 132.00 131.02 1xqb h PRO 15 Ca -0.29 -0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.20 1xqb h PRO 15 Cb 1.19 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.04 1xqb h PRO 15 CO 0.40 0.62 1.17 0.71 -0.21 0.00 0.00 178.00 180.69 1xqb s TYR 16 N -5.90 2.13 0.17 0.65 1.51 -1.26 -1.01 117.35 113.63 1xqb s TYR 16 Ca -0.11 0.63 0.06 0.00 -1.01 0.00 0.00 57.07 56.63 1xqb s TYR 16 Cb 0.21 -4.26 -0.01 0.00 -0.11 0.00 0.00 41.96 37.79 1xqb s TYR 16 CO 0.80 -2.28 1.38 0.87 -1.11 0.00 0.00 175.55 175.22 1xqb h LYS 17 N 11.88 0.08 -5.08 -0.62 1.79 -1.79 0.30 116.57 123.13 1xqb h LYS 17 Ca -0.29 -0.10 -0.45 0.00 -2.18 0.00 0.00 60.65 57.64 1xqb h LYS 17 Cb 1.13 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.67 1xqb h LYS 17 CO 1.11 0.91 -0.59 -1.83 -1.08 0.00 0.00 179.45 177.96 1xqb s GLU 18 N -3.09 1.62 0.24 3.15 -1.05 -1.26 -4.45 118.70 113.87 1xqb s GLU 18 Ca -0.01 -1.91 -0.07 0.00 -0.15 0.00 0.00 54.97 52.83 1xqb s GLU 18 Cb 0.10 -0.62 0.26 0.00 -0.44 0.00 0.00 34.13 33.44 1xqb s GLU 18 CO 0.81 -0.28 1.90 0.87 0.95 0.00 0.00 175.26 179.51 1xqb h LYS 19 N 2.14 1.16 0.00 -4.83 1.57 -1.98 -2.61 116.57 112.02 1xqb h LYS 19 Ca -0.39 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1xqb h LYS 19 Cb 1.25 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1xqb h LYS 19 CO 0.64 0.77 -0.01 0.35 -0.57 0.00 0.00 179.45 180.63 1xqb h PHE 20 N 1.19 0.00 0.00 -1.35 -0.00 -1.98 -2.12 116.94 112.68 1xqb h PHE 20 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.32 1xqb h PHE 20 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.89 1xqb h PHE 20 CO -0.01 0.01 0.00 0.43 -0.00 0.00 0.00 178.31 178.74 1xqb n SER 21 N -3.75 0.72 -4.67 0.41 7.64 -0.98 -4.77 113.62 108.21 1xqb n SER 21 Ca -0.03 0.59 -0.42 0.00 1.01 0.00 0.00 58.87 60.02 1xqb n SER 21 Cb 0.09 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 1xqb n SER 21 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xqb s VAL 22 N -3.13 4.81 0.50 0.44 1.01 -0.80 -4.84 120.40 118.38 1xqb s VAL 22 Ca 0.10 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.69 1xqb s VAL 22 Cb 0.12 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1xqb s VAL 22 CO 0.55 -0.03 1.12 -2.84 0.00 0.00 0.00 175.10 173.90 1xqb s PRO 23 N 2.39 3.58 0.00 2.72 0.02 -1.26 -4.90 135.00 137.54 1xqb s PRO 23 Ca 0.42 1.62 0.17 0.00 0.02 0.00 0.00 61.00 63.23 1xqb s PRO 23 Cb -0.17 -2.16 0.84 0.00 0.02 0.00 0.00 34.50 33.03 1xqb s PRO 23 CO 0.12 -0.67 1.52 0.54 -0.33 0.00 0.00 177.00 178.19 1xqb n ARG 24 N -0.95 0.19 -3.32 5.54 1.74 -1.26 -3.76 116.66 114.84 1xqb n ARG 24 Ca 0.10 0.14 -0.26 0.00 -0.77 0.00 0.00 57.85 57.06 1xqb n ARG 24 Cb 0.50 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.36 1xqb n ARG 24 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xqb n GLN 25 N -1.34 0.68 0.26 5.56 6.02 -1.26 -5.00 117.38 122.31 1xqb n GLN 25 Ca 0.07 -3.36 0.17 0.00 -0.01 0.00 0.00 57.00 53.86 1xqb n GLN 25 Cb 0.15 -1.52 0.90 0.00 1.02 0.00 0.00 30.24 30.80 1xqb n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1xqb h PRO 26 N 4.73 0.00 0.00 -1.09 0.11 -1.89 -2.66 132.00 131.20 1xqb h PRO 26 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xqb h PRO 26 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1xqb h PRO 26 CO 0.46 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.34 1xqb h ASN 27 N 0.00 0.00 0.04 -2.05 -0.26 -1.92 -3.18 115.58 108.22 1xqb h ASN 27 Ca 0.04 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1xqb h ASN 27 Cb 0.23 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1xqb h ASN 27 CO -0.00 0.00 -0.28 -0.07 -1.06 0.00 0.00 177.43 176.02 1xqb h LEU 28 N 0.00 0.17 -8.46 1.61 3.38 -1.90 -3.42 115.31 106.69 1xqb h LEU 28 Ca 0.00 -0.95 -0.44 0.00 0.09 0.00 0.00 57.88 56.58 1xqb h LEU 28 Cb 0.46 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1xqb h LEU 28 CO 0.00 1.11 1.24 -0.69 0.09 0.00 0.00 178.44 180.19 1xqb s VAL 29 N -2.43 3.30 -2.00 1.22 1.01 -1.20 -4.85 120.40 115.45 1xqb s VAL 29 Ca -0.17 0.07 0.19 0.00 0.00 0.00 0.00 61.98 62.07 1xqb s VAL 29 Cb -0.01 -3.77 0.54 0.00 0.00 0.00 0.00 36.38 33.14 1xqb s VAL 29 CO 0.74 -0.74 1.60 -1.84 0.00 0.00 0.00 175.10 174.85 1xqb n GLU 30 N 9.09 0.78 -0.00 2.72 0.28 -1.26 -3.07 120.64 129.18 1xqb n GLU 30 Ca 0.27 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.33 1xqb n GLU 30 Cb 0.51 -1.38 -0.08 0.00 1.43 0.00 0.00 31.44 31.92 1xqb n GLU 30 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xqb n ASP 31 N -0.88 1.63 -3.24 -1.84 8.00 -1.26 -4.70 116.55 114.25 1xqb n ASP 31 Ca 0.14 -0.28 -0.27 0.00 0.71 0.00 0.00 54.79 55.09 1xqb n ASP 31 Cb 0.07 1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 42.50 1xqb n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqb n GLY 32 N 1.62 3.34 3.93 0.44 0.00 -1.17 -4.88 105.19 108.47 1xqb n GLY 32 Ca -0.01 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 1xqb n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xqb s VAL 33 N 3.26 4.71 0.08 1.61 1.01 -1.26 -0.68 120.40 129.13 1xqb s VAL 33 Ca 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 1xqb s VAL 33 Cb 0.12 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1xqb s VAL 33 CO -0.03 -0.64 0.02 -0.83 0.00 0.00 0.00 175.10 173.62 1xqb s GLY 34 N -4.12 0.56 -0.07 4.51 0.00 -1.15 -4.30 107.32 102.75 1xqb s GLY 34 Ca 0.46 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 44.00 1xqb s GLY 34 CO 0.41 -1.27 -0.18 -0.42 0.00 0.00 0.00 173.10 171.63 1xqb s ILE 35 N -3.95 1.59 -0.25 0.90 1.01 -0.94 -0.02 121.20 119.55 1xqb s ILE 35 Ca 0.11 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1xqb s ILE 35 Cb 0.07 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1xqb s ILE 35 CO -0.07 0.46 0.14 -0.69 0.00 0.00 0.00 174.94 174.78 1xqb s VAL 36 N 0.34 5.07 -0.29 2.92 1.01 0.50 -1.12 120.40 128.83 1xqb s VAL 36 Ca -0.13 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1xqb s VAL 36 Cb -0.15 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1xqb s VAL 36 CO 0.05 0.33 0.12 -0.70 0.00 0.00 0.00 175.10 174.90 1xqb s GLU 37 N 1.31 3.43 0.03 2.72 2.12 0.32 -0.81 118.70 127.82 1xqb s GLU 37 Ca 0.07 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1xqb s GLU 37 Cb -0.14 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1xqb s GLU 37 CO 0.06 -0.34 1.09 -0.51 -0.54 0.00 0.00 175.26 175.02 1xqb s LEU 38 N 1.61 4.37 0.36 2.70 1.43 -1.06 -0.50 118.68 127.59 1xqb s LEU 38 Ca 0.05 1.83 -0.07 0.00 -1.03 0.00 0.00 54.13 54.91 1xqb s LEU 38 Cb -0.16 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1xqb s LEU 38 CO 0.05 -0.37 0.67 -0.76 0.23 0.00 0.00 176.35 176.17 1xqb s LEU 39 N 1.08 3.91 0.37 1.79 1.43 0.48 -4.47 118.68 123.26 1xqb s LEU 39 Ca 0.55 0.89 -0.27 0.00 -1.03 0.00 0.00 54.13 54.27 1xqb s LEU 39 Cb -0.25 -3.75 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 1xqb s LEU 39 CO 0.28 -0.33 1.29 -2.84 0.23 0.00 0.00 176.35 174.98 1xqb s PRO 40 N -3.88 4.18 -0.58 1.29 0.02 -1.26 -0.84 135.00 133.93 1xqb s PRO 40 Ca 0.47 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1xqb s PRO 40 Cb -0.10 -2.91 0.52 0.00 0.02 0.00 0.00 34.50 32.03 1xqb s PRO 40 CO 0.33 -0.32 1.96 -0.35 -0.33 0.00 0.00 177.00 178.30 1xqb n PRO 41 N 0.47 2.55 0.04 5.54 -0.05 -1.26 -4.93 135.00 137.36 1xqb n PRO 41 Ca 0.02 -3.22 0.11 0.00 -0.05 0.00 0.00 63.50 60.36 1xqb n PRO 41 Cb 0.43 -2.24 0.06 0.00 -0.05 0.00 0.00 33.50 31.70 1xqb n PRO 41 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1xqb n TYR 42 N -0.99 0.38 -0.58 0.54 4.02 -0.02 -4.46 117.16 116.04 1xqb n TYR 42 Ca 0.61 0.11 -0.05 0.00 -0.01 0.00 0.00 57.90 58.56 1xqb n TYR 42 Cb 1.01 -0.53 -0.07 0.00 -0.02 0.00 0.00 39.34 39.74 1xqb n TYR 42 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1xqb n ASN 43 N -2.04 4.05 -4.84 7.72 6.94 -1.08 -4.76 115.26 121.24 1xqb n ASN 43 Ca 0.02 -2.17 -0.36 0.00 -0.02 0.00 0.00 54.58 52.06 1xqb n ASN 43 Cb 0.44 -0.98 -0.06 0.00 -2.36 0.00 0.00 39.78 36.82 1xqb n ASN 43 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xqb s SER 44 N 2.12 6.13 0.65 0.53 1.04 -1.26 -4.59 113.70 118.33 1xqb s SER 44 Ca 0.27 0.36 0.41 0.00 0.48 0.00 0.00 55.95 57.47 1xqb s SER 44 Cb 0.13 -1.92 2.26 0.00 0.10 0.00 0.00 66.02 66.59 1xqb s SER 44 CO 0.00 0.36 2.34 -0.65 0.98 0.00 0.00 173.24 176.27 1xqb h PRO 45 N 4.68 0.00 -0.15 4.02 0.11 -1.99 -1.19 132.00 137.49 1xqb h PRO 45 Ca -0.53 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.39 1xqb h PRO 45 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xqb h PRO 45 CO 0.60 0.00 -0.69 0.93 -0.21 0.00 0.00 178.00 178.63 1xqb h GLU 46 N 0.00 0.63 0.00 1.05 5.08 -1.95 -2.71 114.58 116.68 1xqb h GLU 46 Ca -0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1xqb h GLU 46 Cb 0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xqb h GLU 46 CO 0.00 1.10 0.00 0.00 -1.00 0.00 0.00 179.01 179.11 1xqb h ALA 47 N 0.78 1.00 0.00 3.43 0.00 -1.51 -2.68 119.26 120.28 1xqb h ALA 47 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xqb h ALA 47 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xqb h ALA 47 CO 0.13 0.00 -0.01 1.33 0.00 0.00 0.00 179.25 180.70 1xqb n VAL 48 N -2.58 1.00 -1.58 0.00 0.24 -1.19 -5.01 118.33 109.20 1xqb n VAL 48 Ca -0.01 -1.06 -0.47 0.00 -2.04 0.00 0.00 64.34 60.76 1xqb n VAL 48 Cb 0.14 0.44 -0.05 0.00 -1.47 0.00 0.00 33.84 32.90 1xqb n VAL 48 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xqb n ARG 49 N -0.58 1.79 -0.65 7.34 0.63 -1.01 -0.80 116.66 123.38 1xqb n ARG 49 Ca 0.03 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1xqb n ARG 49 Cb 0.36 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.47 1xqb n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqb n GLY 50 N 5.54 0.72 0.27 5.14 0.00 -1.26 -4.92 105.19 110.68 1xqb n GLY 50 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.34 1xqb n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xqb h LEU 51 N 0.00 0.42 0.00 0.99 6.46 -1.36 -1.29 115.31 120.53 1xqb h LEU 51 Ca 0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1xqb h LEU 51 Cb 0.00 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1xqb h LEU 51 CO 0.00 0.46 0.00 -1.84 -0.62 0.00 0.00 178.44 176.44 1xqb n GLU 52 N -4.33 0.03 0.16 1.25 -0.00 -1.26 -2.50 120.64 113.98 1xqb n GLU 52 Ca 0.01 0.32 -0.13 0.00 -0.00 0.00 0.00 57.16 57.36 1xqb n GLU 52 Cb 0.20 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.06 1xqb n GLU 52 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1xqb h GLN 53 N 0.00 -0.39 -7.09 3.44 1.08 -1.63 -3.44 115.11 107.07 1xqb h GLN 53 Ca 0.00 0.03 -0.46 0.00 -1.45 0.00 0.00 58.65 56.76 1xqb h GLN 53 Cb 0.04 0.09 0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1xqb h GLN 53 CO 0.00 -0.08 0.37 -0.06 -0.95 0.00 0.00 178.83 178.11 1xqb s PHE 54 N -4.72 3.13 -0.13 2.96 0.40 -1.04 -4.99 117.98 113.59 1xqb s PHE 54 Ca -0.14 1.57 0.19 0.00 -0.60 0.00 0.00 56.93 57.95 1xqb s PHE 54 Cb 0.02 -2.97 -0.17 0.00 0.51 0.00 0.00 43.02 40.41 1xqb s PHE 54 CO 0.55 -0.59 0.68 -1.13 0.70 0.00 0.00 175.22 175.43 1xqb n SER 55 N -1.01 0.53 -4.31 1.36 3.41 -1.26 -4.83 113.62 107.51 1xqb n SER 55 Ca 0.08 0.22 -0.24 0.00 -0.26 0.00 0.00 58.87 58.68 1xqb n SER 55 Cb 0.53 0.77 -0.12 0.00 -0.26 0.00 0.00 64.21 65.13 1xqb n SER 55 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xqb s HIS 56 N -3.09 1.84 0.18 7.33 3.76 -1.26 -0.32 115.29 123.73 1xqb s HIS 56 Ca -0.05 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1xqb s HIS 56 Cb 0.10 -0.98 -0.05 0.00 1.11 0.00 0.00 32.58 32.76 1xqb s HIS 56 CO 0.83 0.26 -0.05 -0.51 -0.85 0.00 0.00 174.74 174.42 1xqb s LEU 57 N -2.17 2.36 -0.10 0.89 1.02 -0.18 -1.17 118.68 119.34 1xqb s LEU 57 Ca 0.10 -1.11 0.03 0.00 0.02 0.00 0.00 54.13 53.17 1xqb s LEU 57 Cb -0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 46.19 45.83 1xqb s LEU 57 CO 0.05 -0.43 -0.19 0.26 0.02 0.00 0.00 176.35 176.06 1xqb s TRP 58 N -3.40 2.64 -0.18 0.29 0.52 0.13 -1.76 118.94 117.18 1xqb s TRP 58 Ca 0.22 -0.74 -0.00 0.00 0.02 0.00 0.00 56.10 55.60 1xqb s TRP 58 Cb 0.04 -1.73 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1xqb s TRP 58 CO 0.04 -0.24 -0.16 -0.51 0.02 0.00 0.00 176.95 176.10 1xqb s LEU 59 N 0.12 2.36 -0.43 2.99 1.43 -0.22 -1.44 118.68 123.49 1xqb s LEU 59 Ca -0.10 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.30 1xqb s LEU 59 Cb -0.16 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1xqb s LEU 59 CO 0.06 0.02 0.33 -0.63 0.23 0.00 0.00 176.35 176.36 1xqb s ILE 60 N 1.19 5.18 0.18 -0.59 1.01 -0.56 -1.88 121.20 125.73 1xqb s ILE 60 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1xqb s ILE 60 Cb -0.14 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1xqb s ILE 60 CO -0.07 -0.43 0.08 2.22 0.00 0.00 0.00 174.94 176.74 1xqb n PHE 61 N 5.16 -0.52 -3.58 3.97 1.16 0.09 0.12 117.46 123.86 1xqb n PHE 61 Ca -0.12 -0.82 -0.41 0.00 -1.87 0.00 0.00 57.45 54.24 1xqb n PHE 61 Cb 0.45 -0.14 -0.10 0.00 -1.61 0.00 0.00 39.48 38.08 1xqb n PHE 61 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 1xqb s GLN 62 N -2.71 2.78 0.13 3.97 0.74 -0.70 -2.02 119.66 121.86 1xqb s GLN 62 Ca 0.06 -1.20 0.00 0.00 0.05 0.00 0.00 55.36 54.27 1xqb s GLN 62 Cb -0.00 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.32 1xqb s GLN 62 CO 0.04 -0.80 0.00 1.33 -0.55 0.00 0.00 175.29 175.31 1xqb n VAL 86 N 5.00 0.00 -1.98 1.34 0.24 -1.26 -4.71 118.33 116.96 1xqb n VAL 86 Ca -0.11 0.12 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1xqb n VAL 86 Cb 0.45 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.58 1xqb n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1xqb s GLY 87 N -3.95 2.05 0.12 7.63 0.00 -1.26 -4.96 107.32 106.95 1xqb s GLY 87 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.76 1xqb s GLY 87 CO 0.00 0.66 1.59 -2.08 0.00 0.00 0.00 173.10 173.27 1xqb h VAL 88 N 0.26 0.19 0.00 1.40 2.07 -1.94 -0.80 116.25 117.43 1xqb h VAL 88 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xqb h VAL 88 Cb 1.22 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1xqb h VAL 88 CO 0.57 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.90 1xqb h PHE 89 N -0.57 0.00 -0.00 1.57 0.05 -1.97 -1.37 116.94 114.65 1xqb h PHE 89 Ca 0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1xqb h PHE 89 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.59 1xqb h PHE 89 CO -0.39 0.00 -0.19 0.00 -0.18 0.00 0.00 178.31 177.55 1xqb n ALA 90 N -1.98 2.89 -3.54 2.45 0.00 -0.32 -4.92 120.51 115.09 1xqb n ALA 90 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1xqb n ALA 90 Cb 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1xqb n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xqb n SER 91 N -1.10 1.16 -0.52 0.00 3.41 -0.52 -4.93 113.62 111.13 1xqb n SER 91 Ca 0.11 -0.93 0.09 0.00 -0.26 0.00 0.00 58.87 57.88 1xqb n SER 91 Cb 0.31 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.46 1xqb n SER 91 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xqb n ARG 92 N 0.00 2.23 -0.78 4.33 5.12 -1.26 -4.98 116.66 121.31 1xqb n ARG 92 Ca 0.00 -2.68 -0.33 0.00 -1.93 0.00 0.00 57.85 52.91 1xqb n ARG 92 Cb 0.00 -1.67 0.13 0.00 -1.16 0.00 0.00 32.46 29.76 1xqb n ARG 92 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xqb n ALA 93 N -0.88 -3.21 -0.04 7.54 0.00 -1.26 -4.97 120.51 117.69 1xqb n ALA 93 Ca 0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1xqb n ALA 93 Cb 0.76 -1.68 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1xqb n ALA 93 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xqb n THR 94 N -3.76 1.60 -1.99 0.00 -2.24 -1.26 -4.72 114.28 101.91 1xqb n THR 94 Ca 0.05 -0.76 -0.25 0.00 -2.27 0.00 0.00 64.05 60.81 1xqb n THR 94 Cb 0.56 -1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 1xqb n THR 94 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xqb s HIS 95 N -2.56 1.77 0.17 4.78 3.76 -1.26 -4.61 115.29 117.33 1xqb s HIS 95 Ca -0.12 0.79 0.07 0.00 -0.15 0.00 0.00 55.06 55.65 1xqb s HIS 95 Cb 0.07 -3.93 -0.04 0.00 1.11 0.00 0.00 32.58 29.79 1xqb s HIS 95 CO 0.79 -1.48 -0.14 1.03 -0.85 0.00 0.00 174.74 174.10 1xqb s ARG 96 N 7.07 1.21 0.54 1.40 0.52 -1.26 -5.00 118.95 123.44 1xqb s ARG 96 Ca 0.72 -1.47 0.25 0.00 -0.52 0.00 0.00 55.73 54.71 1xqb s ARG 96 Cb -0.05 -1.01 1.44 0.00 0.52 0.00 0.00 34.95 35.85 1xqb s ARG 96 CO 0.06 0.17 2.02 -1.35 0.02 0.00 0.00 175.30 176.22 1xqb h PRO 97 N 2.86 0.00 -2.97 3.54 0.11 -2.00 -3.28 132.00 130.26 1xqb h PRO 97 Ca -0.39 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.22 1xqb h PRO 97 Cb 1.21 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 1xqb h PRO 97 CO 0.59 0.00 -0.77 -0.80 -0.21 0.00 0.00 178.00 176.81 1xqb s ASN 98 N -6.14 3.00 0.00 -2.05 0.01 -1.26 -5.04 114.94 103.46 1xqb s ASN 98 Ca -0.05 -0.98 -0.02 0.00 -0.71 0.00 0.00 52.86 51.10 1xqb s ASN 98 Cb 0.18 -0.33 -0.08 0.00 0.41 0.00 0.00 41.25 41.43 1xqb s ASN 98 CO 0.68 -0.39 1.60 -0.81 -1.51 0.00 0.00 177.10 176.66 1xqb n PRO 99 N 5.24 0.78 -3.06 -0.60 -0.04 -1.24 -4.84 135.00 131.24 1xqb n PRO 99 Ca -0.06 -0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 62.69 1xqb n PRO 99 Cb 0.45 -1.55 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 1xqb n PRO 99 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xqb s LEU 100 N 0.00 4.20 0.00 1.53 1.43 -1.26 -4.49 118.68 120.09 1xqb s LEU 100 Ca 0.19 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1xqb s LEU 100 Cb 0.09 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1xqb s LEU 100 CO 0.00 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.58 1xqb n GLY 101 N 4.57 3.42 0.00 -3.19 0.00 -0.85 -4.95 105.19 104.18 1xqb n GLY 101 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1xqb n GLY 101 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xqb n SER 103 N -1.00 0.00 -4.54 1.61 2.88 -0.79 -0.73 113.62 111.05 1xqb n SER 103 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1xqb n SER 103 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1xqb n SER 103 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1xqb s LYS 104 N -0.87 3.48 0.29 -1.46 -2.85 -1.26 -1.06 119.74 116.01 1xqb s LYS 104 Ca 0.00 -0.40 0.10 0.00 -1.00 0.00 0.00 55.97 54.67 1xqb s LYS 104 Cb 0.00 -3.84 -0.05 0.00 -2.06 0.00 0.00 37.83 31.88 1xqb s LYS 104 CO 0.00 -0.65 -0.00 0.14 0.10 0.00 0.00 175.35 174.94 1xqb s VAL 105 N 2.20 3.16 -0.00 1.79 -7.23 -0.72 -4.93 120.40 114.66 1xqb s VAL 105 Ca 0.15 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.13 1xqb s VAL 105 Cb -0.16 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.93 1xqb s VAL 105 CO 0.13 -0.32 0.73 -0.70 -0.31 0.00 0.00 175.10 174.63 1xqb s GLU 106 N -3.69 4.45 -0.41 4.82 2.56 -1.26 -1.01 118.70 124.17 1xqb s GLU 106 Ca 0.33 0.97 -0.17 0.00 0.00 0.00 0.00 54.97 56.09 1xqb s GLU 106 Cb -0.05 -3.39 0.02 0.00 2.00 0.00 0.00 34.13 32.71 1xqb s GLU 106 CO 0.20 0.20 0.46 -1.17 -0.56 0.00 0.00 175.26 174.39 1xqb s LEU 107 N 0.27 4.75 -0.14 2.70 2.96 0.57 0.15 118.68 129.94 1xqb s LEU 107 Ca 0.38 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 1xqb s LEU 107 Cb -0.19 -2.43 -0.23 0.00 0.50 0.00 0.00 46.19 43.83 1xqb s LEU 107 CO 0.21 -0.57 0.29 0.54 -1.32 0.00 0.00 176.35 175.49 1xqb n ARG 108 N 5.66 0.68 -3.59 1.98 1.74 -0.28 -4.81 116.66 118.02 1xqb n ARG 108 Ca -0.07 0.18 -0.02 0.00 -0.77 0.00 0.00 57.85 57.17 1xqb n ARG 108 Cb 0.48 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1xqb n ARG 108 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1xqb s GLN 109 N -2.55 0.44 -0.47 5.56 0.74 -0.73 -5.00 119.66 117.66 1xqb s GLN 109 Ca -0.14 0.85 -0.18 0.00 0.05 0.00 0.00 55.36 55.94 1xqb s GLN 109 Cb 0.07 0.24 0.05 0.00 1.10 0.00 0.00 33.01 34.47 1xqb s GLN 109 CO 0.78 -0.11 0.51 0.08 -0.55 0.00 0.00 175.29 176.00 1xqb s VAL 110 N 1.77 5.04 -0.23 1.34 1.01 -1.26 0.05 120.40 128.12 1xqb s VAL 110 Ca -0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1xqb s VAL 110 Cb -0.05 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1xqb s VAL 110 CO -0.17 -0.63 0.10 -0.70 0.00 0.00 0.00 175.10 173.70 1xqb s GLU 111 N 2.20 3.89 -0.21 2.72 2.12 0.11 -4.98 118.70 124.56 1xqb s GLU 111 Ca 0.11 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 55.05 1xqb s GLU 111 Cb -0.20 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1xqb s GLU 111 CO 0.11 0.02 -0.10 0.00 -0.54 0.00 0.00 175.26 174.75 1xqb s ILE 113 N 1.40 -0.66 -1.33 0.00 -4.36 -0.59 -4.97 121.20 110.69 1xqb s ILE 113 Ca 0.05 0.07 -0.03 0.00 -0.26 0.00 0.00 60.65 60.48 1xqb s ILE 113 Cb -0.14 -0.74 -0.00 0.00 1.25 0.00 0.00 42.46 42.83 1xqb s ILE 113 CO -0.07 -0.00 0.57 0.59 0.24 0.00 0.00 174.94 176.27 1xqb n ASN 114 N 5.38 -1.38 -0.79 4.36 4.13 -1.26 -1.42 115.26 124.29 1xqb n ASN 114 Ca -0.06 -0.94 -0.10 0.00 1.68 0.00 0.00 54.58 55.15 1xqb n ASN 114 Cb 0.50 -3.46 -0.04 0.00 -1.54 0.00 0.00 39.78 35.24 1xqb n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xqb n GLY 115 N -1.80 1.14 3.23 7.41 0.00 -1.26 -4.99 105.19 108.92 1xqb n GLY 115 Ca -0.27 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1xqb n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xqb s ASN 116 N -2.73 3.55 -0.21 1.61 0.01 -0.51 -4.97 114.94 111.69 1xqb s ASN 116 Ca 0.00 -0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.61 1xqb s ASN 116 Cb 0.00 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.11 1xqb s ASN 116 CO 0.00 0.06 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.96 1xqb s ILE 117 N 0.95 3.21 -0.17 0.60 1.01 -1.26 -1.55 121.20 124.00 1xqb s ILE 117 Ca -0.03 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1xqb s ILE 117 Cb -0.15 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1xqb s ILE 117 CO -0.03 0.44 -0.19 -0.36 0.00 0.00 0.00 174.94 174.81 1xqb s PHE 118 N 1.36 2.76 -0.55 3.97 0.40 0.11 -2.57 117.98 123.46 1xqb s PHE 118 Ca 0.04 -1.46 -0.18 0.00 -0.60 0.00 0.00 56.93 54.73 1xqb s PHE 118 Cb -0.14 -1.90 0.10 0.00 0.51 0.00 0.00 43.02 41.59 1xqb s PHE 118 CO -0.04 -0.71 0.59 -0.51 0.70 0.00 0.00 175.22 175.26 1xqb s LEU 119 N 1.13 5.59 -0.56 -0.37 1.43 0.01 0.09 118.68 126.00 1xqb s LEU 119 Ca 0.01 -1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 51.38 1xqb s LEU 119 Cb -0.14 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1xqb s LEU 119 CO -0.08 -0.94 1.22 -1.00 0.23 0.00 0.00 176.35 175.77 1xqb s HIS 120 N 2.22 2.59 0.37 0.29 3.76 0.11 -0.37 115.29 124.26 1xqb s HIS 120 Ca 0.08 0.47 -0.04 0.00 -0.15 0.00 0.00 55.06 55.42 1xqb s HIS 120 Cb -0.25 -4.49 0.08 0.00 1.11 0.00 0.00 32.58 29.03 1xqb s HIS 120 CO 0.06 -1.60 0.51 1.28 -0.85 0.00 0.00 174.74 174.14 1xqb n LEU 121 N 8.49 0.00 0.00 0.89 4.77 0.97 -1.13 117.00 130.99 1xqb n LEU 121 Ca 0.10 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1xqb n LEU 121 Cb 0.49 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1xqb n LEU 121 CO 0.72 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1xqb n GLY 122 N 1.51 0.67 3.60 -0.72 0.00 0.39 -4.32 105.19 106.30 1xqb n GLY 122 Ca 0.07 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1xqb n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqb s ALA 123 N -3.02 3.35 0.54 4.61 0.00 -1.26 -2.94 121.76 123.04 1xqb s ALA 123 Ca 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.53 1xqb s ALA 123 Cb 0.00 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.58 1xqb s ALA 123 CO 0.00 -1.76 0.62 0.14 0.00 0.00 0.00 175.76 174.76 1xqb s VAL 124 N 3.62 2.12 0.00 0.00 -7.23 0.14 -4.68 120.40 114.38 1xqb s VAL 124 Ca 0.39 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1xqb s VAL 124 Cb -0.11 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1xqb s VAL 124 CO 0.21 0.00 0.41 -0.90 -0.31 0.00 0.00 175.10 174.51 1xqb n ASP 125 N -2.00 0.34 -4.81 4.85 5.75 -1.26 -4.85 116.55 114.57 1xqb n ASP 125 Ca 0.09 -1.13 -0.37 0.00 -0.01 0.00 0.00 54.79 53.37 1xqb n ASP 125 Cb 0.62 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.65 1xqb n ASP 125 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xqb s LEU 126 N -0.13 4.42 0.65 -2.12 1.43 -1.26 -4.95 118.68 116.72 1xqb s LEU 126 Ca 0.00 1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 1xqb s LEU 126 Cb 0.00 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1xqb s LEU 126 CO 0.00 0.11 1.10 0.54 0.23 0.00 0.00 176.35 178.33 1xqb s VAL 127 N -1.39 3.34 0.22 -1.59 0.11 -1.26 -4.76 120.40 115.08 1xqb s VAL 127 Ca 0.39 0.62 -0.31 0.00 -2.93 0.00 0.00 61.98 59.75 1xqb s VAL 127 Cb -0.18 -3.15 -0.14 0.00 -1.53 0.00 0.00 36.38 31.38 1xqb s VAL 127 CO 0.22 -0.39 1.33 -0.67 -3.33 0.00 0.00 175.10 172.25 1xqb n ASP 128 N -2.37 2.33 0.00 3.54 2.03 0.10 -2.70 116.55 119.49 1xqb n ASP 128 Ca 0.10 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 1xqb n ASP 128 Cb 0.52 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1xqb n ASP 128 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xqb n GLY 129 N 2.06 1.13 3.71 0.27 0.00 0.21 -4.92 105.19 107.66 1xqb n GLY 129 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1xqb n GLY 129 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xqb n THR 130 N -2.00 0.65 -2.37 2.61 -1.04 -1.10 -4.49 114.28 106.54 1xqb n THR 130 Ca 0.00 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1xqb n THR 130 Cb 0.00 -1.79 -0.03 0.00 -1.82 0.00 0.00 70.33 66.69 1xqb n THR 130 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1xqb s PRO 131 N 0.07 4.41 -0.15 -2.82 0.02 -1.26 -1.38 135.00 133.89 1xqb s PRO 131 Ca 0.69 1.83 -0.10 0.00 0.02 0.00 0.00 61.00 63.44 1xqb s PRO 131 Cb -0.56 -3.32 -0.05 0.00 0.02 0.00 0.00 34.50 30.59 1xqb s PRO 131 CO 0.44 -0.28 0.19 0.42 -0.33 0.00 0.00 177.00 177.44 1xqb s ILE 132 N 1.03 5.38 -0.15 2.83 -1.09 0.73 -1.72 121.20 128.21 1xqb s ILE 132 Ca 0.60 0.33 0.16 0.00 -2.23 0.00 0.00 60.65 59.51 1xqb s ILE 132 Cb -0.31 -3.51 -0.24 0.00 -1.58 0.00 0.00 42.46 36.82 1xqb s ILE 132 CO 0.30 0.49 0.24 0.49 -1.23 0.00 0.00 174.94 175.23 1xqb n PHE 133 N 2.97 0.31 -3.54 3.97 0.99 0.32 -1.26 117.46 121.22 1xqb n PHE 133 Ca -0.16 0.11 -0.17 0.00 -0.00 0.00 0.00 57.45 57.23 1xqb n PHE 133 Cb 0.53 -1.06 -0.06 0.00 -1.00 0.00 0.00 39.48 37.89 1xqb n PHE 133 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1xqb s ASP 134 N -5.72 -0.60 -0.18 4.37 3.68 -0.90 -4.59 116.67 112.73 1xqb s ASP 134 Ca -0.09 0.59 0.00 0.00 2.13 0.00 0.00 52.55 55.18 1xqb s ASP 134 Cb 0.07 0.52 0.04 0.00 -1.45 0.00 0.00 42.92 42.10 1xqb s ASP 134 CO 0.82 -0.62 -0.07 -0.63 0.13 0.00 0.00 175.17 174.80 1xqb s ILE 135 N -1.42 1.32 0.24 4.11 1.01 -1.26 -1.50 121.20 123.70 1xqb s ILE 135 Ca -0.10 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 59.87 1xqb s ILE 135 Cb -0.01 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 1xqb s ILE 135 CO 0.08 0.14 -0.19 -0.54 0.00 0.00 0.00 174.94 174.43 1xqb s LYS 136 N 1.54 1.52 0.07 2.79 1.02 -0.52 -4.98 119.74 121.18 1xqb s LYS 136 Ca -0.00 -1.65 -0.22 0.00 0.02 0.00 0.00 55.97 54.11 1xqb s LYS 136 Cb -0.16 -1.54 -0.06 0.00 -0.52 0.00 0.00 37.83 35.54 1xqb s LYS 136 CO -0.08 0.29 0.67 -2.14 -0.92 0.00 0.00 175.35 173.18 1xqb s PRO 137 N -3.38 4.39 -0.39 -1.68 0.02 -1.26 0.21 135.00 132.91 1xqb s PRO 137 Ca 0.25 0.92 -0.28 0.00 0.02 0.00 0.00 61.00 61.91 1xqb s PRO 137 Cb -0.04 -3.30 0.02 0.00 0.02 0.00 0.00 34.50 31.20 1xqb s PRO 137 CO 0.11 0.47 1.07 -0.47 -0.33 0.00 0.00 177.00 177.85 1xqb s TYR 138 N -0.64 3.00 -0.25 6.54 5.04 -0.32 -4.72 117.35 126.00 1xqb s TYR 138 Ca 0.33 0.91 -0.09 0.00 -2.44 0.00 0.00 57.07 55.79 1xqb s TYR 138 Cb -0.20 -3.98 -0.04 0.00 0.35 0.00 0.00 41.96 38.09 1xqb s TYR 138 CO 0.21 -0.98 0.12 0.42 -1.34 0.00 0.00 175.55 173.98 1xqb s ILE 139 N 3.93 4.81 0.49 3.14 1.01 -1.26 -4.65 121.20 128.67 1xqb s ILE 139 Ca 0.45 -0.00 0.17 0.00 0.00 0.00 0.00 60.65 61.26 1xqb s ILE 139 Cb -0.10 -3.26 0.31 0.00 0.01 0.00 0.00 42.46 39.42 1xqb s ILE 139 CO 0.23 0.32 2.06 0.00 0.00 0.00 0.00 174.94 177.55 1xqb h ALA 140 N 8.07 2.09 -1.03 9.38 0.00 -1.95 -0.67 119.26 135.14 1xqb h ALA 140 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xqb h ALA 140 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xqb h ALA 140 CO 0.59 -0.15 0.00 0.98 0.00 0.00 0.00 179.25 180.66 1xqb n TYR 141 N -4.48 0.00 0.28 0.00 9.36 -1.26 -2.14 117.16 118.92 1xqb n TYR 141 Ca 0.04 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.42 1xqb n TYR 141 Cb 0.27 -0.33 0.73 0.00 -0.63 0.00 0.00 39.34 39.38 1xqb n TYR 141 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xqb h ALA 142 N -2.00 1.03 0.00 2.98 0.00 -2.00 -3.31 119.26 115.95 1xqb h ALA 142 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1xqb h ALA 142 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1xqb h ALA 142 CO 0.00 0.05 -2.10 -0.25 0.00 0.00 0.00 179.25 176.95 1xqb n ASP 143 N -3.18 0.62 -4.71 0.00 8.00 -0.26 -4.96 116.55 112.06 1xqb n ASP 143 Ca -0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1xqb n ASP 143 Cb 0.29 1.26 -0.04 0.00 -0.02 0.00 0.00 41.12 42.61 1xqb n ASP 143 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xqb s SER 144 N -4.84 7.15 -0.46 -2.24 0.15 -0.91 -4.98 113.70 107.57 1xqb s SER 144 Ca -0.08 1.39 0.06 0.00 0.70 0.00 0.00 55.95 58.02 1xqb s SER 144 Cb 0.08 -2.49 0.21 0.00 -1.71 0.00 0.00 66.02 62.12 1xqb s SER 144 CO 0.75 -0.21 0.64 1.21 1.20 0.00 0.00 173.24 176.84 1xqb n GLU 145 N 3.99 0.58 -0.24 5.44 4.07 -1.26 -4.90 120.64 128.31 1xqb n GLU 145 Ca 0.03 -2.47 0.03 0.00 -0.06 0.00 0.00 57.16 54.68 1xqb n GLU 145 Cb 0.51 -1.45 0.15 0.00 -0.06 0.00 0.00 31.44 30.59 1xqb n GLU 145 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1xqb h PRO 146 N 4.60 0.45 0.00 5.31 0.11 -2.00 -2.82 132.00 137.65 1xqb h PRO 146 Ca 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1xqb h PRO 146 Cb 0.99 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1xqb h PRO 146 CO 0.29 0.30 0.00 0.09 -0.21 0.00 0.00 178.00 178.47 1xqb n ASN 147 N -4.97 0.00 -4.47 -2.05 4.13 -1.26 -4.87 115.26 101.77 1xqb n ASN 147 Ca 0.12 -1.79 -0.47 0.00 1.68 0.00 0.00 54.58 54.12 1xqb n ASN 147 Cb 0.34 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.50 1xqb n ASN 147 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xqb n ALA 148 N -0.53 0.94 -1.90 5.41 0.00 -1.07 -4.93 120.51 118.43 1xqb n ALA 148 Ca 0.01 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 1xqb n ALA 148 Cb 0.01 -2.62 0.15 0.00 0.00 0.00 0.00 19.45 16.98 1xqb n ALA 148 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xqb s GLN 149 N 6.93 1.17 0.00 0.00 -1.52 -1.26 -5.11 119.66 119.86 1xqb s GLN 149 Ca 1.11 -0.18 0.00 0.00 -1.95 0.00 0.00 55.36 54.34 1xqb s GLN 149 Cb -0.80 -1.89 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 1xqb s GLN 149 CO 0.45 -2.09 0.00 0.43 -0.25 0.00 0.00 175.29 173.83 1xqb n SER 150 N -3.60 0.00 0.02 5.90 7.64 -1.26 -5.27 113.62 117.05 1xqb n SER 150 Ca 0.12 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 1xqb n SER 150 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1xqb n SER 150 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xqb h SER 151 N 0.00 -0.07 0.00 6.43 4.64 -2.05 -3.58 113.55 118.92 1xqb h SER 151 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xqb h SER 151 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xqb h SER 151 CO 0.00 0.11 0.00 0.52 -0.87 0.00 0.00 176.83 176.59 1xqb n VAL 159 N -3.11 0.00 -2.28 0.95 0.31 -1.26 -5.37 118.33 107.58 1xqb n VAL 159 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 1xqb n VAL 159 Cb 0.03 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.94 1xqb n VAL 159 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1xqb s LYS 160 N 0.00 4.26 0.00 5.55 2.36 -1.26 -4.74 119.74 125.91 1xqb s LYS 160 Ca 0.00 1.88 0.00 0.00 -2.55 0.00 0.00 55.97 55.30 1xqb s LYS 160 Cb 0.00 -3.69 -0.04 0.00 -1.05 0.00 0.00 37.83 33.05 1xqb s LYS 160 CO 0.00 -0.63 0.06 -1.64 1.55 0.00 0.00 175.35 174.69 1xqb s MET 161 N 2.92 2.99 0.25 4.03 -1.94 -1.22 -4.96 119.30 121.38 1xqb s MET 161 Ca 0.62 -0.53 -0.28 0.00 -1.71 0.00 0.00 55.69 53.79 1xqb s MET 161 Cb -0.28 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.66 1xqb s MET 161 CO 0.23 0.64 0.91 0.95 -0.01 0.00 0.00 175.02 177.74 1xqb s THR 162 N -1.19 4.15 -0.21 2.05 -4.23 -1.26 -4.73 115.64 110.22 1xqb s THR 162 Ca 0.23 1.97 -0.05 0.00 -1.18 0.00 0.00 61.69 62.66 1xqb s THR 162 Cb -0.12 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.47 1xqb s THR 162 CO 0.14 0.43 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.95 1xqb s VAL 163 N -1.27 3.80 0.01 2.29 1.01 -1.26 -2.80 120.40 122.18 1xqb s VAL 163 Ca 0.42 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1xqb s VAL 163 Cb -0.24 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1xqb s VAL 163 CO 0.29 0.42 -0.24 -0.70 0.00 0.00 0.00 175.10 174.87 1xqb s GLU 164 N 1.19 1.79 -0.08 2.72 2.12 -0.95 -5.02 118.70 120.46 1xqb s GLU 164 Ca 0.03 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.43 1xqb s GLU 164 Cb -0.15 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.39 1xqb s GLU 164 CO 0.01 0.49 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.05 1xqb s PHE 165 N -0.67 2.83 0.93 5.30 0.40 -1.26 -0.84 117.98 124.68 1xqb s PHE 165 Ca 0.10 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 56.09 1xqb s PHE 165 Cb -0.09 -1.73 0.15 0.00 0.51 0.00 0.00 43.02 41.85 1xqb s PHE 165 CO 0.00 0.13 1.09 0.95 0.70 0.00 0.00 175.22 178.10 1xqb s THR 166 N -0.42 2.43 0.23 0.64 -4.23 -0.83 -4.66 115.64 108.80 1xqb s THR 166 Ca 0.05 0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.63 1xqb s THR 166 Cb -0.12 -2.65 0.21 0.00 1.34 0.00 0.00 72.50 71.28 1xqb s THR 166 CO 0.02 -0.18 1.89 -0.08 -0.54 0.00 0.00 174.62 175.73 1xqb h GLU 167 N -1.65 1.11 -0.49 3.99 4.57 -1.92 0.18 114.58 120.36 1xqb h GLU 167 Ca -0.51 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 57.56 1xqb h GLU 167 Cb 1.30 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1xqb h GLU 167 CO 0.56 0.73 0.15 0.37 -1.18 0.00 0.00 179.01 179.65 1xqb h GLN 168 N 1.14 0.72 0.10 1.92 5.75 -1.92 -2.11 115.11 120.72 1xqb h GLN 168 Ca 0.34 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1xqb h GLN 168 Cb -0.04 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.38 1xqb h GLN 168 CO -0.10 0.63 -0.05 0.00 -2.65 0.00 0.00 178.83 176.66 1xqb h ALA 169 N 1.46 -0.14 -1.00 3.38 0.00 -1.01 -1.70 119.26 120.24 1xqb h ALA 169 Ca 0.16 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.12 1xqb h ALA 169 Cb 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1xqb h ALA 169 CO -0.01 -0.38 0.65 0.87 0.00 0.00 0.00 179.25 180.39 1xqb h LYS 170 N -0.55 0.38 -0.05 0.00 1.57 -0.43 0.10 116.57 117.61 1xqb h LYS 170 Ca -0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1xqb h LYS 170 Cb 0.44 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xqb h LYS 170 CO 0.02 0.25 -0.13 1.03 -0.57 0.00 0.00 179.45 180.05 1xqb h SER 171 N 0.40 0.20 -0.77 0.86 0.87 -1.24 -2.57 113.55 111.29 1xqb h SER 171 Ca 0.55 -0.61 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1xqb h SER 171 Cb 1.40 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 1xqb h SER 171 CO -0.25 0.77 0.37 0.00 -0.53 0.00 0.00 176.83 177.20 1xqb h ALA 172 N 0.43 0.99 -0.57 6.23 0.00 -0.20 -2.23 119.26 123.92 1xqb h ALA 172 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1xqb h ALA 172 Cb 0.75 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xqb h ALA 172 CO 0.03 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.11 1xqb h VAL 173 N 1.09 1.27 -0.91 0.00 2.07 -1.12 -3.07 116.25 115.57 1xqb h VAL 173 Ca 0.27 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1xqb h VAL 173 Cb 0.12 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1xqb h VAL 173 CO -0.03 0.41 0.60 0.50 0.02 0.00 0.00 177.57 179.07 1xqb h LYS 174 N 0.91 1.18 -0.13 1.57 1.63 -1.09 -1.21 116.57 119.43 1xqb h LYS 174 Ca 0.16 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1xqb h LYS 174 Cb 0.56 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1xqb h LYS 174 CO 0.03 0.78 -0.20 -0.22 -3.45 0.00 0.00 179.45 176.39 1xqb h LYS 175 N 1.21 0.22 0.00 1.90 3.64 -1.32 -2.70 116.57 119.51 1xqb h LYS 175 Ca 0.34 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1xqb h LYS 175 Cb -0.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xqb h LYS 175 CO -0.09 0.42 -0.50 0.54 -2.27 0.00 0.00 179.45 177.55 1xqb n ARG 176 N -4.22 0.02 0.16 1.90 3.00 -0.85 -3.95 116.66 112.72 1xqb n ARG 176 Ca -0.01 0.01 0.12 0.00 -0.01 0.00 0.00 57.85 57.96 1xqb n ARG 176 Cb 0.32 -1.51 0.59 0.00 0.00 0.00 0.00 32.46 31.85 1xqb n ARG 176 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1xqb h GLU 177 N 0.00 0.00 0.00 5.56 4.57 -0.89 -0.07 114.58 123.75 1xqb h GLU 177 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1xqb h GLU 177 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1xqb h GLU 177 CO 0.00 0.00 -0.07 0.93 -1.18 0.00 0.00 179.01 178.69 1xqb h GLU 178 N 0.00 0.04 0.19 1.92 3.07 -1.73 -3.24 114.58 114.83 1xqb h GLU 178 Ca 0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1xqb h GLU 178 Cb 0.18 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1xqb h GLU 178 CO 0.00 0.89 -0.09 0.87 -1.40 0.00 0.00 179.01 179.28 1xqb h LYS 179 N -0.78 -0.25 -3.61 2.33 1.79 -1.72 -3.41 116.57 110.93 1xqb h LYS 179 Ca -0.01 0.02 -0.75 0.00 -2.18 0.00 0.00 60.65 57.73 1xqb h LYS 179 Cb 0.92 0.06 -0.31 0.00 -1.58 0.00 0.00 32.23 31.31 1xqb h LYS 179 CO 0.01 -0.16 -0.02 1.03 -1.08 0.00 0.00 179.45 179.23 1xqb s ARG 180 N -2.38 3.32 0.35 3.15 1.81 -0.07 -5.07 118.95 120.07 1xqb s ARG 180 Ca -0.04 -2.76 -0.28 0.00 -1.72 0.00 0.00 55.73 50.93 1xqb s ARG 180 Cb 0.00 -4.15 -0.10 0.00 -0.45 0.00 0.00 34.95 30.25 1xqb s ARG 180 CO 0.11 -1.24 1.36 -1.25 -0.68 0.00 0.00 175.30 173.60 1xqb s PRO 181 N -0.42 4.23 -0.08 3.54 0.04 -1.22 -2.63 135.00 138.46 1xqb s PRO 181 Ca 0.21 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1xqb s PRO 181 Cb -0.13 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1xqb s PRO 181 CO -0.08 -0.33 0.00 0.72 0.04 0.00 0.00 177.00 177.35 1xqb n HIS 182 N 0.61 0.00 0.27 0.56 8.25 -1.26 -4.92 115.22 118.73 1xqb n HIS 182 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1xqb n HIS 182 Cb 0.41 -0.50 0.76 0.00 1.12 0.00 0.00 29.99 31.78 1xqb n HIS 182 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xqb h LEU 183 N 0.00 0.00 0.32 2.41 7.12 -1.85 -0.99 115.31 122.33 1xqb h LEU 183 Ca -0.02 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1xqb h LEU 183 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1xqb h LEU 183 CO 0.02 0.07 -0.16 -1.28 -0.13 0.00 0.00 178.44 176.97 1xqb h SER 184 N 0.00 -0.37 0.56 1.25 0.87 -1.90 -3.16 113.55 110.80 1xqb h SER 184 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1xqb h SER 184 Cb 0.17 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1xqb h SER 184 CO 0.01 0.09 0.00 -2.11 -0.53 0.00 0.00 176.83 174.29 1xqb n ARG 185 N -5.08 0.14 0.14 2.24 1.85 -1.11 -1.36 116.66 113.48 1xqb n ARG 185 Ca -0.08 0.42 0.11 0.00 -1.00 0.00 0.00 57.85 57.31 1xqb n ARG 185 Cb 0.25 -1.79 0.52 0.00 -1.05 0.00 0.00 32.46 30.39 1xqb n ARG 185 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1xqb n PHE 186 N -2.06 0.76 -3.01 2.89 7.35 -0.39 -3.48 117.46 119.52 1xqb n PHE 186 Ca 0.02 0.34 -0.44 0.00 -0.76 0.00 0.00 57.45 56.60 1xqb n PHE 186 Cb 0.18 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 38.97 1xqb n PHE 186 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1xqb n ILE 187 N -2.23 4.48 -0.27 -2.13 5.41 -0.46 -3.99 119.36 120.17 1xqb n ILE 187 Ca 0.01 -5.03 0.00 0.00 1.00 0.00 0.00 62.75 58.73 1xqb n ILE 187 Cb 0.15 -2.46 0.00 0.00 -0.71 0.00 0.00 39.64 36.62 1xqb n ILE 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1xqb n ARG 188 N 4.00 -0.09 -0.07 0.38 1.74 -1.23 -4.65 116.66 116.74 1xqb n ARG 188 Ca 0.32 -0.55 -0.12 0.00 -0.77 0.00 0.00 57.85 56.72 1xqb n ARG 188 Cb 0.40 -0.86 -0.11 0.00 -1.02 0.00 0.00 32.46 30.87 1xqb n ARG 188 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1xqb h GLN 189 N 0.00 0.00 0.00 5.56 1.08 -1.89 -3.23 115.11 116.63 1xqb h GLN 189 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xqb h GLN 189 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1xqb h GLN 189 CO 0.00 0.83 0.00 0.28 -0.95 0.00 0.00 178.83 178.99 1xqb h VAL 190 N -1.00 0.00 0.00 -0.54 2.07 -1.90 -1.53 116.25 113.36 1xqb h VAL 190 Ca -0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xqb h VAL 190 Cb 0.86 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1xqb h VAL 190 CO -0.02 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.46 1xqb n LEU 191 N -2.81 0.41 -2.24 2.57 0.00 -1.22 -4.91 117.00 108.80 1xqb n LEU 191 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 56.01 55.77 1xqb n LEU 191 Cb 0.11 -0.21 0.05 0.00 0.00 0.00 0.00 43.42 43.37 1xqb n LEU 191 CO 0.18 0.10 0.30 -0.62 0.00 0.00 0.00 177.39 177.36 1xqb n GLU 192 N -0.06 1.02 0.00 1.96 1.02 -0.58 -3.38 120.64 120.62 1xqb n GLU 192 Ca 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1xqb n GLU 192 Cb 0.10 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 1xqb n GLU 192 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xqb n ASP 206 N -0.67 0.00 -2.94 1.62 5.75 -1.26 -5.00 116.55 114.06 1xqb n ASP 206 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.68 1xqb n ASP 206 Cb 0.86 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 1xqb n ASP 206 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1xqb s ARG 207 N 0.00 0.83 -0.53 0.11 3.52 -1.26 -5.07 118.95 116.55 1xqb s ARG 207 Ca 0.00 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 1xqb s ARG 207 Cb 0.00 0.02 0.18 0.00 -1.56 0.00 0.00 34.95 33.59 1xqb s ARG 207 CO 0.00 -1.09 0.44 1.51 -0.81 0.00 0.00 175.30 175.34 1xqb n ILE 208 N 3.58 0.06 -2.04 4.11 3.06 -1.26 -4.87 119.36 122.00 1xqb n ILE 208 Ca 0.14 -4.10 -0.31 0.00 -2.50 0.00 0.00 62.75 55.97 1xqb n ILE 208 Cb 0.58 -1.90 -0.00 0.00 0.54 0.00 0.00 39.64 38.86 1xqb n ILE 208 CO 0.00 0.00 0.00 -0.31 -2.50 0.00 0.00 176.55 173.74 1xqb s TYR 209 N -0.75 3.57 0.01 9.51 1.51 -1.26 -4.82 117.35 125.11 1xqb s TYR 209 Ca 0.31 1.35 0.06 0.00 -1.01 0.00 0.00 57.07 57.78 1xqb s TYR 209 Cb 0.03 -2.74 -0.02 0.00 -0.11 0.00 0.00 41.96 39.12 1xqb s TYR 209 CO -0.17 -0.59 -0.19 0.20 -1.11 0.00 0.00 175.55 173.69 1xqb s GLY 210 N -3.82 0.98 -0.09 0.71 0.00 -1.26 -1.41 107.32 102.43 1xqb s GLY 210 Ca 0.56 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 1xqb s GLY 210 CO 0.47 -0.78 0.19 -0.29 0.00 0.00 0.00 173.10 172.68 1xqb s MET 211 N -0.72 0.09 -0.29 2.90 0.00 -0.87 -5.01 119.30 115.40 1xqb s MET 211 Ca 0.07 0.56 -0.23 0.00 0.00 0.00 0.00 55.69 56.09 1xqb s MET 211 Cb -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 34.83 34.57 1xqb s MET 211 CO 0.00 -0.25 0.78 -1.12 0.00 0.00 0.00 175.02 174.42 1xqb s SER 212 N 1.94 6.68 -0.11 1.11 0.01 -1.26 -0.84 113.70 121.24 1xqb s SER 212 Ca -0.02 0.74 0.01 0.00 1.31 0.00 0.00 55.95 57.99 1xqb s SER 212 Cb -0.12 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1xqb s SER 212 CO -0.07 -0.56 -0.13 -0.76 0.41 0.00 0.00 173.24 172.13 1xqb s LEU 213 N 2.88 1.58 0.00 2.44 1.02 -0.95 -3.89 118.68 121.75 1xqb s LEU 213 Ca 0.32 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.08 1xqb s LEU 213 Cb -0.14 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.06 1xqb s LEU 213 CO 0.11 -0.03 0.00 -1.22 0.02 0.00 0.00 176.35 175.23 1xqb n TYR 214 N 4.41 0.00 0.18 0.29 4.02 -0.18 -1.32 117.16 124.57 1xqb n TYR 214 Ca -0.18 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.79 1xqb n TYR 214 Cb 0.51 0.09 0.38 0.00 -0.02 0.00 0.00 39.34 40.29 1xqb n TYR 214 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1xqb n GLU 215 N 0.24 0.09 -2.36 -0.72 4.71 -1.26 -4.84 120.64 116.50 1xqb n GLU 215 Ca 0.00 0.53 -0.26 0.00 -0.01 0.00 0.00 57.16 57.42 1xqb n GLU 215 Cb 0.00 -1.77 0.05 0.00 -1.01 0.00 0.00 31.44 28.71 1xqb n GLU 215 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1xqb s PHE 216 N -3.30 3.08 -0.33 -0.32 0.40 -0.43 -5.02 117.98 112.04 1xqb s PHE 216 Ca 0.00 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 1xqb s PHE 216 Cb 0.05 -2.91 0.12 0.00 0.51 0.00 0.00 43.02 40.80 1xqb s PHE 216 CO 0.18 -1.05 0.17 -0.80 0.70 0.00 0.00 175.22 174.42 1xqb s ASN 217 N -4.40 3.37 -0.38 1.36 -0.87 -1.26 -2.24 114.94 110.52 1xqb s ASN 217 Ca 0.57 -1.86 -0.25 0.00 -1.57 0.00 0.00 52.86 49.74 1xqb s ASN 217 Cb -0.11 -0.51 0.02 0.00 -0.02 0.00 0.00 41.25 40.63 1xqb s ASN 217 CO 0.44 -0.36 0.91 -0.69 -2.57 0.00 0.00 177.10 174.83 1xqb s VAL 218 N 1.41 4.59 -0.17 1.60 1.01 -0.02 -3.75 120.40 125.07 1xqb s VAL 218 Ca 0.14 1.09 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 1xqb s VAL 218 Cb -0.20 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1xqb s VAL 218 CO -0.15 -0.57 0.14 -0.54 0.00 0.00 0.00 175.10 173.98 1xqb s LYS 219 N 3.47 3.95 0.00 2.72 1.02 -1.19 -2.06 119.74 127.65 1xqb s LYS 219 Ca 0.37 -0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.19 1xqb s LYS 219 Cb -0.12 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1xqb s LYS 219 CO 0.20 0.46 0.00 -2.67 -0.92 0.00 0.00 175.35 172.41 1xqb n TRP 220 N 3.01 0.00 0.00 3.18 2.14 -0.50 0.29 117.44 125.56 1xqb n TRP 220 Ca -0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.40 1xqb n TRP 220 Cb 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.03 1xqb n TRP 220 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xqb n ALA 224 N -3.00 -0.04 -2.38 -1.67 0.00 -1.26 -4.36 120.51 107.80 1xqb n ALA 224 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1xqb n ALA 224 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1xqb n ALA 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xqb s GLY 225 N 0.00 1.36 -0.22 0.00 0.00 -1.12 -4.99 107.32 102.35 1xqb s GLY 225 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 44.72 43.39 1xqb s GLY 225 CO 0.00 -1.15 0.09 -0.51 0.00 0.00 0.00 173.10 171.53 1xqb s THR 226 N -0.84 4.78 -0.17 0.90 -4.23 -1.26 -2.25 115.64 112.57 1xqb s THR 226 Ca 0.11 -0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.39 1xqb s THR 226 Cb -0.10 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1xqb s THR 226 CO 0.02 0.39 0.61 0.54 -0.54 0.00 0.00 174.62 175.64 1xqb s VAL 227 N 0.96 5.05 0.00 2.29 0.11 -0.02 -4.43 120.40 124.37 1xqb s VAL 227 Ca 0.05 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.27 1xqb s VAL 227 Cb -0.14 -3.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1xqb s VAL 227 CO 0.03 0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.55 1xqb n ASN 228 N 4.70 0.00 -4.02 3.54 3.02 0.15 -1.97 115.26 120.68 1xqb n ASN 228 Ca -0.02 0.13 -0.26 0.00 -0.03 0.00 0.00 54.58 54.40 1xqb n ASN 228 Cb 0.50 -0.14 -0.17 0.00 -0.61 0.00 0.00 39.78 39.37 1xqb n ASN 228 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xqb s VAL 230 N 0.88 5.21 0.00 0.00 1.01 -1.26 -3.16 120.40 123.08 1xqb s VAL 230 Ca -0.10 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1xqb s VAL 230 Cb -0.15 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1xqb s VAL 230 CO 0.01 0.24 0.00 1.21 0.00 0.00 0.00 175.10 176.56