#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqa n GLY 2 N 0.00 2.64 3.50 0.00 0.00 -1.26 -5.24 105.19 104.83 1xqa n GLY 2 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 1xqa n GLY 2 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqa s ILE 3 N -1.53 4.87 0.00 -0.61 1.01 -1.26 -4.92 121.20 118.76 1xqa s ILE 3 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1xqa s ILE 3 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1xqa s ILE 3 CO 0.00 0.16 0.31 0.29 0.00 0.00 0.00 174.94 175.69 1xqa n LYS 4 N 5.02 -0.05 -3.80 2.79 4.76 -1.26 -5.03 118.16 120.58 1xqa n LYS 4 Ca -0.14 -0.35 -0.13 0.00 -2.87 0.00 0.00 58.31 54.83 1xqa n LYS 4 Cb 0.50 -0.70 -0.12 0.00 -1.84 0.00 0.00 35.03 32.87 1xqa n LYS 4 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1xqa s HIS 5 N -0.09 -0.21 -0.07 2.13 2.46 -1.26 -1.23 115.29 117.03 1xqa s HIS 5 Ca 0.00 0.51 0.01 0.00 0.47 0.00 0.00 55.06 56.05 1xqa s HIS 5 Cb 0.00 0.07 0.02 0.00 -0.13 0.00 0.00 32.58 32.54 1xqa s HIS 5 CO 0.00 -0.10 -0.07 -1.17 -2.47 0.00 0.00 174.74 170.93 1xqa s LEU 6 N 0.16 1.31 -0.43 8.88 2.96 -0.58 -4.99 118.68 125.98 1xqa s LEU 6 Ca -0.01 -0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 53.54 1xqa s LEU 6 Cb -0.02 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 46.07 1xqa s LEU 6 CO -0.00 -0.06 0.37 0.21 -1.32 0.00 0.00 176.35 175.56 1xqa s ASN 7 N 1.11 6.15 -0.39 3.68 3.84 -1.26 -0.88 114.94 127.18 1xqa s ASN 7 Ca -0.07 -0.88 -0.12 0.00 0.21 0.00 0.00 52.86 51.99 1xqa s ASN 7 Cb -0.14 -2.19 0.03 0.00 -0.55 0.00 0.00 41.25 38.40 1xqa s ASN 7 CO -0.01 -0.54 0.25 -0.22 -2.79 0.00 0.00 177.10 173.79 1xqa s LEU 8 N 1.87 4.93 0.14 3.21 2.96 0.47 -4.98 118.68 127.29 1xqa s LEU 8 Ca 0.08 -1.04 -0.31 0.00 -0.22 0.00 0.00 54.13 52.64 1xqa s LEU 8 Cb -0.19 -2.07 -0.08 0.00 0.50 0.00 0.00 46.19 44.35 1xqa s LEU 8 CO 0.11 -0.43 1.35 -0.89 -1.32 0.00 0.00 176.35 175.17 1xqa s THR 9 N 1.58 3.29 0.12 3.68 2.01 -1.26 -4.28 115.64 120.77 1xqa s THR 9 Ca 0.03 0.97 0.03 0.00 0.31 0.00 0.00 61.69 63.03 1xqa s THR 9 Cb -0.20 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1xqa s THR 9 CO 0.07 0.10 -0.08 0.68 -0.69 0.00 0.00 174.62 174.70 1xqa s VAL 10 N 0.73 0.90 0.22 3.82 -7.23 -1.26 -4.94 120.40 112.65 1xqa s VAL 10 Ca 0.61 -1.95 0.14 0.00 -1.81 0.00 0.00 61.98 58.97 1xqa s VAL 10 Cb -0.36 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 34.91 1xqa s VAL 10 CO 0.33 -0.79 1.66 0.00 -0.31 0.00 0.00 175.10 175.99 1xqa h ALA 11 N 2.95 0.98 -1.56 1.32 0.00 -1.42 -0.24 119.26 121.29 1xqa h ALA 11 Ca -0.36 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 1xqa h ALA 11 Cb 1.18 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.62 1xqa h ALA 11 CO 0.63 0.64 -0.44 0.34 0.00 0.00 0.00 179.25 180.43 1xqa s ASP 12 N -6.66 -0.28 0.08 0.00 -1.08 -1.26 -4.78 116.67 102.70 1xqa s ASP 12 Ca -0.01 0.23 -0.18 0.00 -0.52 0.00 0.00 52.55 52.07 1xqa s ASP 12 Cb 0.12 1.44 -0.08 0.00 -1.46 0.00 0.00 42.92 42.94 1xqa s ASP 12 CO 0.73 -0.30 1.49 0.58 0.52 0.00 0.00 175.17 178.19 1xqa h VAL 13 N 6.12 1.28 -0.41 1.11 2.07 -1.83 -2.21 116.25 122.37 1xqa h VAL 13 Ca -0.16 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1xqa h VAL 13 Cb 1.15 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1xqa h VAL 13 CO 0.26 0.32 0.10 0.58 0.02 0.00 0.00 177.57 178.85 1xqa h VAL 14 N 0.24 0.81 -0.39 2.57 2.07 -1.97 0.16 116.25 119.75 1xqa h VAL 14 Ca 0.07 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1xqa h VAL 14 Cb 0.50 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xqa h VAL 14 CO 0.02 0.04 -0.07 0.00 0.02 0.00 0.00 177.57 177.58 1xqa h ALA 15 N 1.30 0.53 -0.43 1.67 0.00 -1.93 -2.22 119.26 118.18 1xqa h ALA 15 Ca 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xqa h ALA 15 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xqa h ALA 15 CO -0.24 0.38 0.19 0.00 0.00 0.00 0.00 179.25 179.58 1xqa h ALA 16 N 0.84 0.55 -0.18 0.00 0.00 -1.11 -2.55 119.26 116.82 1xqa h ALA 16 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1xqa h ALA 16 Cb 0.58 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xqa h ALA 16 CO 0.03 0.13 0.00 -0.09 0.00 0.00 0.00 179.25 179.32 1xqa h ARG 17 N 0.55 0.06 -0.25 0.00 2.43 -0.59 -1.69 114.38 114.88 1xqa h ARG 17 Ca 0.14 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 1xqa h ARG 17 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xqa h ARG 17 CO -0.02 0.04 -0.30 1.05 -1.51 0.00 0.00 179.97 179.23 1xqa h GLU 18 N 0.06 0.50 -0.33 0.20 4.11 -1.35 -0.10 114.58 117.67 1xqa h GLU 18 Ca 0.08 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.28 1xqa h GLU 18 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xqa h GLU 18 CO -0.14 0.75 0.12 0.35 0.07 0.00 0.00 179.01 180.16 1xqa h PHE 19 N 0.43 0.51 -0.36 2.06 3.57 -1.31 -0.76 116.94 121.09 1xqa h PHE 19 Ca 0.06 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1xqa h PHE 19 Cb 0.74 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1xqa h PHE 19 CO 0.03 0.50 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.37 1xqa h LEU 20 N 0.38 0.65 0.05 0.59 3.38 -0.86 -1.10 115.31 118.40 1xqa h LEU 20 Ca 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1xqa h LEU 20 Cb 0.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xqa h LEU 20 CO -0.01 0.82 -0.02 -0.33 0.09 0.00 0.00 178.44 178.99 1xqa h GLU 21 N 0.59 -0.06 -0.01 1.13 5.08 -0.93 -1.70 114.58 118.67 1xqa h GLU 21 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xqa h GLU 21 Cb 0.61 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1xqa h GLU 21 CO 0.04 0.17 0.00 -0.22 -1.00 0.00 0.00 179.01 178.01 1xqa h LYS 22 N -0.30 0.02 0.00 2.33 3.64 -0.94 -2.90 116.57 118.42 1xqa h LYS 22 Ca -0.01 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1xqa h LYS 22 Cb 0.27 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1xqa h LYS 22 CO 0.01 0.28 -1.79 0.66 -2.27 0.00 0.00 179.45 176.34 1xqa n TYR 23 N -4.95 0.43 -0.11 1.91 4.01 -0.43 -4.50 117.16 113.51 1xqa n TYR 23 Ca -0.08 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1xqa n TYR 23 Cb 0.15 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 1xqa n TYR 23 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xqa n PHE 24 N -2.62 0.00 -1.38 -0.72 3.72 -0.70 -5.01 117.46 110.74 1xqa n PHE 24 Ca -0.12 -0.19 -0.13 0.00 -0.05 0.00 0.00 57.45 56.96 1xqa n PHE 24 Cb 0.79 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.26 1xqa n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xqa n GLY 25 N -0.19 1.38 3.79 1.37 0.00 -0.84 -4.95 105.19 105.75 1xqa n GLY 25 Ca 0.00 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1xqa n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xqa s LEU 26 N -3.00 3.65 0.15 0.99 1.43 -1.07 -4.89 118.68 115.95 1xqa s LEU 26 Ca 0.00 2.00 0.08 0.00 -1.03 0.00 0.00 54.13 55.18 1xqa s LEU 26 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1xqa s LEU 26 CO 0.00 -1.18 -0.09 0.28 0.23 0.00 0.00 176.35 175.58 1xqa s THR 27 N -2.09 3.26 -0.24 5.49 -1.32 -0.63 -4.31 115.64 115.81 1xqa s THR 27 Ca 0.68 -1.51 -0.11 0.00 -1.21 0.00 0.00 61.69 59.54 1xqa s THR 27 Cb -0.20 -2.58 -0.05 0.00 -1.51 0.00 0.00 72.50 68.16 1xqa s THR 27 CO 0.30 -0.03 0.19 0.00 -2.21 0.00 0.00 174.62 172.88 1xqa n SER 29 N 4.43 2.25 0.00 0.00 3.41 0.11 -5.01 113.62 118.81 1xqa n SER 29 Ca -0.14 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1xqa n SER 29 Cb 0.52 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1xqa n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xqa n GLY 30 N 1.11 1.67 3.16 5.00 0.00 -1.24 -4.96 105.19 109.93 1xqa n GLY 30 Ca 0.10 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1xqa n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xqa s THR 31 N -2.00 0.36 -0.30 2.61 -4.23 -1.26 -0.26 115.64 110.55 1xqa s THR 31 Ca 0.00 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1xqa s THR 31 Cb 0.00 -1.86 0.09 0.00 1.34 0.00 0.00 72.50 72.08 1xqa s THR 31 CO 0.00 -0.68 0.06 -0.60 -0.54 0.00 0.00 174.62 172.86 1xqa s ARG 32 N -3.95 1.05 3.38 3.99 3.52 -0.37 -4.97 118.95 121.61 1xqa s ARG 32 Ca 0.17 -1.28 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 1xqa s ARG 32 Cb 0.07 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1xqa s ARG 32 CO -0.02 -0.91 0.00 0.41 -0.81 0.00 0.00 175.30 173.97 1xqa n GLY 33 N 4.66 2.82 1.01 8.12 0.00 -1.26 -1.56 105.19 118.97 1xqa n GLY 33 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1xqa n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xqa n ASN 34 N 2.07 3.22 0.13 1.61 0.23 -1.26 -4.50 115.26 116.76 1xqa n ASN 34 Ca 0.00 -1.93 0.12 0.00 -0.53 0.00 0.00 54.58 52.24 1xqa n ASN 34 Cb 0.00 -0.21 0.05 0.00 -2.08 0.00 0.00 39.78 37.54 1xqa n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xqa h ALA 35 N 3.93 0.62 -2.02 -2.53 0.00 -1.68 -3.40 119.26 114.18 1xqa h ALA 35 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xqa h ALA 35 Cb 0.90 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.48 1xqa h ALA 35 CO 0.00 0.00 0.09 0.12 0.00 0.00 0.00 179.25 179.46 1xqa s PHE 36 N -3.32 -0.87 -0.04 0.00 5.36 -1.14 -0.51 117.98 117.47 1xqa s PHE 36 Ca 0.02 1.97 -0.03 0.00 -0.96 0.00 0.00 56.93 57.93 1xqa s PHE 36 Cb 0.09 0.38 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 1xqa s PHE 36 CO 0.76 -0.42 0.10 0.00 -1.46 0.00 0.00 175.22 174.20 1xqa s ALA 37 N 0.76 -0.22 0.37 11.12 0.00 -0.59 -1.23 121.76 131.97 1xqa s ALA 37 Ca -0.03 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1xqa s ALA 37 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xqa s ALA 37 CO -0.05 -0.06 0.43 0.08 0.00 0.00 0.00 175.76 176.15 1xqa s VAL 38 N 0.26 3.36 -0.29 0.00 1.01 0.64 -0.73 120.40 124.64 1xqa s VAL 38 Ca -0.02 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.52 1xqa s VAL 38 Cb -0.03 -3.16 0.19 0.00 0.00 0.00 0.00 36.38 33.39 1xqa s VAL 38 CO -0.01 -0.09 1.41 -0.13 0.00 0.00 0.00 175.10 176.28 1xqa s ARG 40 N -4.16 0.05 0.49 2.72 0.52 0.42 0.08 118.95 119.07 1xqa s ARG 40 Ca 0.47 0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.76 1xqa s ARG 40 Cb -0.07 0.02 0.09 0.00 0.52 0.00 0.00 34.95 35.51 1xqa s ARG 40 CO 0.30 -0.01 0.68 -0.40 0.02 0.00 0.00 175.30 175.88 1xqa n ASP 41 N 0.99 1.47 0.26 0.23 5.68 -1.04 -1.60 116.55 122.55 1xqa n ASP 41 Ca -0.05 -2.11 0.14 0.00 -0.50 0.00 0.00 54.79 52.27 1xqa n ASP 41 Cb 0.58 -0.39 0.69 0.00 -1.14 0.00 0.00 41.12 40.86 1xqa n ASP 41 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1xqa h ASN 42 N -0.09 0.00 -0.24 -1.12 -0.00 -1.91 -2.76 115.58 109.46 1xqa h ASN 42 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.07 1xqa h ASN 42 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.29 1xqa h ASN 42 CO 0.30 0.11 0.00 0.47 -0.00 0.00 0.00 177.43 178.31 1xqa n ASP 43 N -3.40 2.72 0.00 1.15 8.00 -1.26 -4.95 116.55 118.81 1xqa n ASP 43 Ca -0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1xqa n ASP 43 Cb 0.29 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1xqa n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqa n GLY 44 N 1.35 0.74 3.77 0.44 0.00 -1.04 -5.04 105.19 105.40 1xqa n GLY 44 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1xqa n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xqa s PHE 45 N -2.44 2.89 -0.31 1.61 5.36 -1.26 -4.86 117.98 118.98 1xqa s PHE 45 Ca 0.00 1.26 -0.08 0.00 -0.96 0.00 0.00 56.93 57.15 1xqa s PHE 45 Cb 0.00 -3.82 0.01 0.00 -0.34 0.00 0.00 43.02 38.87 1xqa s PHE 45 CO 0.00 -2.39 0.11 0.42 -1.46 0.00 0.00 175.22 171.90 1xqa s ILE 46 N -0.92 4.15 -0.37 3.12 -1.09 -0.36 -2.50 121.20 123.22 1xqa s ILE 46 Ca 0.52 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 58.20 1xqa s ILE 46 Cb -0.42 -3.16 0.06 0.00 -1.58 0.00 0.00 42.46 37.36 1xqa s ILE 46 CO 0.54 0.04 0.16 -0.22 -1.23 0.00 0.00 174.94 174.23 1xqa s LEU 47 N 1.52 4.67 -0.06 2.97 2.96 -1.26 -1.53 118.68 127.96 1xqa s LEU 47 Ca 0.03 -1.37 -0.14 0.00 -0.22 0.00 0.00 54.13 52.42 1xqa s LEU 47 Cb -0.17 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1xqa s LEU 47 CO 0.04 -0.42 0.36 0.42 -1.32 0.00 0.00 176.35 175.43 1xqa s THR 48 N 1.37 5.16 0.49 3.68 -4.23 -0.06 -4.62 115.64 117.43 1xqa s THR 48 Ca 0.01 0.72 0.07 0.00 -1.18 0.00 0.00 61.69 61.31 1xqa s THR 48 Cb -0.21 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 69.98 1xqa s THR 48 CO 0.01 0.52 0.47 -0.76 -0.54 0.00 0.00 174.62 174.33 1xqa s LEU 49 N -0.61 3.11 -0.07 4.79 1.43 0.09 -0.39 118.68 127.03 1xqa s LEU 49 Ca 0.22 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1xqa s LEU 49 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1xqa s LEU 49 CO 0.10 -0.94 -0.20 -0.75 0.23 0.00 0.00 176.35 174.79 1xqa s LYS 51 N -4.29 2.70 0.18 1.70 2.20 0.33 -1.55 119.74 121.00 1xqa s LYS 51 Ca 0.46 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 1xqa s LYS 51 Cb -0.04 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 1xqa s LYS 51 CO 0.28 0.41 0.07 0.20 -0.36 0.00 0.00 175.35 175.95 1xqa s GLY 52 N -0.21 1.29 -0.10 5.54 0.00 -0.10 -4.81 107.32 108.93 1xqa s GLY 52 Ca -0.01 -1.63 -0.06 0.00 0.00 0.00 0.00 44.72 43.03 1xqa s GLY 52 CO 0.03 -1.45 0.13 0.54 0.00 0.00 0.00 173.10 172.34 1xqa s LYS 53 N -4.04 3.37 -1.21 2.90 -0.14 -1.26 -4.55 119.74 114.81 1xqa s LYS 53 Ca 0.30 -0.20 -0.11 0.00 -1.36 0.00 0.00 55.97 54.60 1xqa s LYS 53 Cb 0.07 -3.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.09 1xqa s LYS 53 CO 0.07 0.75 0.73 -1.91 -0.76 0.00 0.00 175.35 174.23 1xqa n GLU 54 N 1.84 -2.53 -2.63 1.68 2.13 -1.26 -4.88 120.64 114.99 1xqa n GLU 54 Ca -0.18 0.53 -0.43 0.00 0.66 0.00 0.00 57.16 57.74 1xqa n GLU 54 Cb 0.54 -4.61 -0.02 0.00 0.27 0.00 0.00 31.44 27.62 1xqa n GLU 54 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1xqa s VAL 55 N -3.58 4.63 -0.03 6.31 1.01 -1.26 -5.02 120.40 122.45 1xqa s VAL 55 Ca 0.29 1.95 -0.02 0.00 0.00 0.00 0.00 61.98 64.20 1xqa s VAL 55 Cb -0.09 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1xqa s VAL 55 CO 0.84 -0.14 0.07 -1.58 0.00 0.00 0.00 175.10 174.29 1xqa s GLN 56 N 3.00 0.04 0.15 2.72 2.00 -1.26 -4.95 119.66 121.36 1xqa s GLN 56 Ca 0.47 0.17 0.06 0.00 -2.00 0.00 0.00 55.36 54.06 1xqa s GLN 56 Cb -0.17 -0.09 -0.04 0.00 0.80 0.00 0.00 33.01 33.51 1xqa s GLN 56 CO 0.10 -0.09 0.05 0.71 -0.50 0.00 0.00 175.29 175.56 1xqa s TYR 57 N 0.57 2.98 0.56 1.67 2.02 -1.26 -5.09 117.35 118.80 1xqa s TYR 57 Ca -0.05 -0.07 -0.20 0.00 -0.37 0.00 0.00 57.07 56.39 1xqa s TYR 57 Cb -0.06 -1.46 -0.06 0.00 -0.40 0.00 0.00 41.96 39.98 1xqa s TYR 57 CO -0.02 0.51 0.97 -2.30 -1.57 0.00 0.00 175.55 173.14 1xqa n PRO 58 N -0.07 1.01 -0.23 -1.71 -0.02 -1.26 -4.86 135.00 127.87 1xqa n PRO 58 Ca -0.09 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1xqa n PRO 58 Cb 0.54 -2.14 0.32 0.00 -0.02 0.00 0.00 33.50 32.20 1xqa n PRO 58 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xqa h LYS 59 N 0.73 0.81 -0.13 -0.52 -0.00 -2.04 -1.18 116.57 114.24 1xqa h LYS 59 Ca -0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 1xqa h LYS 59 Cb 1.36 -0.18 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 1xqa h LYS 59 CO 0.52 0.54 0.00 0.25 -0.00 0.00 0.00 179.45 180.76 1xqa n THR 60 N -4.49 0.16 -2.05 0.07 -2.24 -1.26 -4.91 114.28 99.56 1xqa n THR 60 Ca 0.13 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 1xqa n THR 60 Cb 0.25 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 1xqa n THR 60 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xqa s PHE 61 N -1.84 3.06 0.16 4.78 5.36 -0.45 -5.02 117.98 124.02 1xqa s PHE 61 Ca 0.34 1.08 -0.20 0.00 -0.96 0.00 0.00 56.93 57.20 1xqa s PHE 61 Cb 0.19 -3.78 0.05 0.00 -0.34 0.00 0.00 43.02 39.15 1xqa s PHE 61 CO 0.29 -2.50 0.52 -3.38 -1.46 0.00 0.00 175.22 168.70 1xqa s HIS 62 N -0.06 -0.35 -0.15 10.12 -3.43 -1.26 -4.39 115.29 115.77 1xqa s HIS 62 Ca 0.58 0.08 -0.02 0.00 -0.80 0.00 0.00 55.06 54.90 1xqa s HIS 62 Cb -0.41 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.15 1xqa s HIS 62 CO 0.43 -0.82 -0.07 0.08 -2.00 0.00 0.00 174.74 172.36 1xqa s VAL 63 N -3.79 3.52 -0.11 -5.38 1.01 -0.84 -4.93 120.40 109.87 1xqa s VAL 63 Ca 0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1xqa s VAL 63 Cb -0.00 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1xqa s VAL 63 CO -0.11 0.50 -0.03 -0.83 0.00 0.00 0.00 175.10 174.63 1xqa s GLY 64 N 0.43 1.75 -0.52 4.51 0.00 -1.26 -0.27 107.32 111.96 1xqa s GLY 64 Ca -0.06 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1xqa s GLY 64 CO 0.04 -0.37 0.27 -1.36 0.00 0.00 0.00 173.10 171.67 1xqa s PHE 65 N -0.30 3.22 0.57 1.90 0.08 -0.04 -4.96 117.98 118.45 1xqa s PHE 65 Ca 0.05 -3.14 -0.19 0.00 0.12 0.00 0.00 56.93 53.77 1xqa s PHE 65 Cb -0.12 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1xqa s PHE 65 CO 0.02 -0.76 1.20 -1.25 -0.10 0.00 0.00 175.22 174.34 1xqa s PRO 66 N -0.23 3.10 0.27 0.24 0.04 -1.26 -4.57 135.00 132.58 1xqa s PRO 66 Ca 0.17 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.14 1xqa s PRO 66 Cb -0.25 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1xqa s PRO 66 CO -0.01 -1.10 -0.13 -0.65 0.04 0.00 0.00 177.00 175.15 1xqa s GLN 67 N -3.24 1.90 0.47 4.56 -1.52 -1.26 -5.01 119.66 115.56 1xqa s GLN 67 Ca 0.75 -1.63 0.26 0.00 -1.95 0.00 0.00 55.36 52.79 1xqa s GLN 67 Cb -0.30 -1.91 0.81 0.00 -0.22 0.00 0.00 33.01 31.38 1xqa s GLN 67 CO 0.33 0.34 1.78 1.49 -0.25 0.00 0.00 175.29 178.98 1xqa h GLU 68 N 2.16 0.00 -3.37 2.91 4.57 -1.97 -3.42 114.58 115.45 1xqa h GLU 68 Ca -0.42 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.73 1xqa h GLU 68 Cb 1.25 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.73 1xqa h GLU 68 CO 0.60 0.09 -0.02 -1.54 -1.18 0.00 0.00 179.01 176.95 1xqa s SER 69 N -6.04 -0.24 0.35 1.04 1.04 -1.26 -5.04 113.70 103.56 1xqa s SER 69 Ca 0.03 -0.45 0.13 0.00 0.48 0.00 0.00 55.95 56.14 1xqa s SER 69 Cb 0.08 0.54 0.65 0.00 0.10 0.00 0.00 66.02 67.38 1xqa s SER 69 CO 0.62 -0.98 1.78 -0.33 0.98 0.00 0.00 173.24 175.31 1xqa h GLU 70 N 2.27 0.00 -0.66 4.02 5.08 -1.92 -2.72 114.58 120.64 1xqa h GLU 70 Ca -0.31 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1xqa h GLU 70 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1xqa h GLU 70 CO 0.41 0.42 0.30 1.49 -1.00 0.00 0.00 179.01 180.64 1xqa h GLU 71 N 0.00 0.94 -0.23 2.33 4.81 -1.99 -1.58 114.58 118.86 1xqa h GLU 71 Ca -0.00 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1xqa h GLU 71 Cb 0.76 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1xqa h GLU 71 CO 0.06 0.74 -0.41 1.96 -0.73 0.00 0.00 179.01 180.63 1xqa h GLN 72 N 0.94 0.53 -0.22 1.92 1.08 -1.90 -1.46 115.11 116.00 1xqa h GLN 72 Ca 0.23 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1xqa h GLN 72 Cb 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1xqa h GLN 72 CO -0.03 0.85 0.13 0.28 -0.95 0.00 0.00 178.83 179.11 1xqa h VAL 73 N 0.44 1.10 -0.78 -0.54 2.07 -1.25 -2.46 116.25 114.82 1xqa h VAL 73 Ca 0.04 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1xqa h VAL 73 Cb 0.90 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1xqa h VAL 73 CO 0.08 0.09 0.48 0.44 0.02 0.00 0.00 177.57 178.68 1xqa h ASP 74 N 0.26 0.75 -0.07 0.57 3.32 -1.07 -1.92 116.42 118.26 1xqa h ASP 74 Ca 0.08 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xqa h ASP 74 Cb 0.04 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1xqa h ASP 74 CO -0.01 0.49 0.03 0.50 -1.72 0.00 0.00 179.24 178.53 1xqa h LYS 75 N 0.89 0.10 -0.49 3.56 3.64 -1.07 0.94 116.57 124.14 1xqa h LYS 75 Ca 0.34 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1xqa h LYS 75 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1xqa h LYS 75 CO -0.16 0.22 0.27 0.82 -2.27 0.00 0.00 179.45 178.33 1xqa h ILE 76 N -0.04 1.17 -0.15 2.00 2.04 -1.30 -0.45 117.51 120.79 1xqa h ILE 76 Ca 0.02 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1xqa h ILE 76 Cb 0.15 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1xqa h ILE 76 CO -0.00 0.18 -0.20 -1.13 0.00 0.00 0.00 178.15 177.00 1xqa h ASN 77 N 0.66 -0.62 -0.55 1.72 -0.73 -1.22 -0.24 115.58 114.59 1xqa h ASN 77 Ca 0.17 0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.47 1xqa h ASN 77 Cb 0.05 0.29 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 1xqa h ASN 77 CO -0.03 -0.25 0.35 -0.61 -0.37 0.00 0.00 177.43 176.52 1xqa h GLN 78 N -0.25 0.69 -0.45 6.67 4.15 -0.51 -1.26 115.11 124.15 1xqa h GLN 78 Ca 0.11 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 1xqa h GLN 78 Cb 0.40 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1xqa h GLN 78 CO -0.29 0.45 -0.27 0.00 -1.93 0.00 0.00 178.83 176.79 1xqa h ARG 79 N 0.71 0.98 -0.28 1.69 3.08 -0.92 -0.73 114.38 118.91 1xqa h ARG 79 Ca 0.21 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 1xqa h ARG 79 Cb -0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1xqa h ARG 79 CO -0.07 1.12 0.17 -0.07 -1.07 0.00 0.00 179.97 180.05 1xqa h LEU 80 N 0.83 0.33 -0.04 3.04 3.38 -0.85 -1.12 115.31 120.88 1xqa h LEU 80 Ca 0.09 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xqa h LEU 80 Cb 0.86 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1xqa h LEU 80 CO 0.08 0.28 -0.11 0.50 0.09 0.00 0.00 178.44 179.28 1xqa h LYS 81 N 0.36 -0.16 0.00 1.13 3.64 -1.04 -0.85 116.57 119.65 1xqa h LYS 81 Ca 0.10 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1xqa h LYS 81 Cb 0.00 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1xqa h LYS 81 CO -0.02 -0.10 -0.04 0.93 -2.27 0.00 0.00 179.45 177.95 1xqa h GLU 82 N -0.16 0.00 -0.31 1.90 5.08 -1.00 -1.95 114.58 118.13 1xqa h GLU 82 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xqa h GLU 82 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xqa h GLU 82 CO -0.13 0.04 0.00 -0.25 -1.00 0.00 0.00 179.01 177.66 1xqa n ASP 83 N -4.25 2.32 0.00 1.42 8.00 -0.44 -4.93 116.55 118.68 1xqa n ASP 83 Ca -0.03 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.60 1xqa n ASP 83 Cb 0.12 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1xqa n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqa n GLY 84 N 1.25 0.91 3.82 0.44 0.00 -0.73 -5.04 105.19 105.84 1xqa n GLY 84 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1xqa n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xqa s PHE 85 N -2.01 3.70 -0.59 1.61 0.08 -0.38 -5.02 117.98 115.38 1xqa s PHE 85 Ca 0.00 1.20 -0.24 0.00 0.12 0.00 0.00 56.93 58.02 1xqa s PHE 85 Cb 0.00 -2.46 0.05 0.00 -0.57 0.00 0.00 43.02 40.03 1xqa s PHE 85 CO 0.00 0.48 0.96 -0.51 -0.10 0.00 0.00 175.22 176.05 1xqa s LEU 86 N -1.61 4.15 0.05 -0.37 1.43 -1.26 -3.93 118.68 117.14 1xqa s LEU 86 Ca 0.35 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1xqa s LEU 86 Cb -0.17 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1xqa s LEU 86 CO 0.19 -1.30 -0.12 0.68 0.23 0.00 0.00 176.35 176.03 1xqa s VAL 87 N 4.03 0.97 0.37 -1.59 -7.23 -1.26 -4.71 120.40 110.97 1xqa s VAL 87 Ca 0.28 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.42 1xqa s VAL 87 Cb -0.14 -0.92 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 1xqa s VAL 87 CO 0.17 -0.13 0.54 -1.83 -0.31 0.00 0.00 175.10 173.53 1xqa s GLU 88 N -1.35 3.16 0.79 4.82 -1.05 -1.26 -4.97 118.70 118.85 1xqa s GLU 88 Ca -0.02 -0.74 -0.14 0.00 -0.15 0.00 0.00 54.97 53.93 1xqa s GLU 88 Cb -0.09 -2.72 0.07 0.00 -0.44 0.00 0.00 34.13 30.95 1xqa s GLU 88 CO 0.01 -0.02 1.15 -2.30 0.95 0.00 0.00 175.26 175.06 1xqa n PRO 89 N -1.79 0.26 -2.01 -4.83 -0.02 -1.26 -4.87 135.00 120.48 1xqa n PRO 89 Ca -0.01 0.16 -0.36 0.00 -2.02 0.00 0.00 63.50 61.28 1xqa n PRO 89 Cb 0.58 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1xqa n PRO 89 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1xqa s PRO 90 N -3.95 2.98 0.09 0.52 0.02 -1.26 -4.85 135.00 128.55 1xqa s PRO 90 Ca 0.73 1.79 0.10 0.00 0.02 0.00 0.00 61.00 63.64 1xqa s PRO 90 Cb -0.30 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 1xqa s PRO 90 CO 0.51 -1.19 -0.25 0.15 -0.33 0.00 0.00 177.00 175.88 1xqa s LYS 91 N -3.37 1.48 -0.80 5.54 -0.14 0.03 -4.83 119.74 117.64 1xqa s LYS 91 Ca 0.76 -1.21 -0.23 0.00 -1.36 0.00 0.00 55.97 53.93 1xqa s LYS 91 Cb -0.29 -1.81 0.06 0.00 -1.68 0.00 0.00 37.83 34.11 1xqa s LYS 91 CO 0.33 0.44 1.18 -1.01 -0.76 0.00 0.00 175.35 175.54 1xqa s HIS 92 N -0.97 2.59 -0.09 3.18 3.76 -1.26 -0.88 115.29 121.62 1xqa s HIS 92 Ca 0.12 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1xqa s HIS 92 Cb -0.10 -4.48 -0.05 0.00 1.11 0.00 0.00 32.58 29.07 1xqa s HIS 92 CO 0.04 -1.82 -0.09 0.00 -0.85 0.00 0.00 174.74 172.03 1xqa n ALA 93 N 8.29 2.02 -0.18 -1.40 0.00 -1.26 -4.97 120.51 123.01 1xqa n ALA 93 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1xqa n ALA 93 Cb 0.48 0.33 0.01 0.00 0.00 0.00 0.00 19.45 20.27 1xqa n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xqa n ALA 95 N -2.96 -1.78 -2.57 0.00 0.00 -1.26 -5.05 120.51 106.88 1xqa n ALA 95 Ca -0.16 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1xqa n ALA 95 Cb 0.65 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 1xqa n ALA 95 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xqa s TYR 96 N -0.35 2.96 0.01 0.00 5.04 0.14 -4.85 117.35 120.29 1xqa s TYR 96 Ca 0.07 0.47 0.01 0.00 -2.44 0.00 0.00 57.07 55.18 1xqa s TYR 96 Cb 0.00 -3.89 -0.01 0.00 0.35 0.00 0.00 41.96 38.42 1xqa s TYR 96 CO 0.13 -1.03 -0.02 0.99 -1.34 0.00 0.00 175.55 174.27 1xqa s THR 97 N 3.68 0.15 0.16 4.34 2.01 -0.06 -1.01 115.64 124.92 1xqa s THR 97 Ca 0.37 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1xqa s THR 97 Cb -0.11 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1xqa s THR 97 CO 0.24 -0.11 0.10 0.72 -0.69 0.00 0.00 174.62 174.88 1xqa s PHE 98 N -0.44 0.98 0.20 4.92 -0.12 -0.33 -0.79 117.98 122.39 1xqa s PHE 98 Ca -0.04 -1.29 0.10 0.00 -0.05 0.00 0.00 56.93 55.66 1xqa s PHE 98 Cb -0.03 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 1xqa s PHE 98 CO -0.00 -0.58 -0.21 0.71 -0.05 0.00 0.00 175.22 175.08 1xqa s TYR 99 N -4.10 2.13 -0.05 3.49 2.02 -1.26 -0.94 117.35 118.63 1xqa s TYR 99 Ca 0.31 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.58 1xqa s TYR 99 Cb 0.07 -1.03 0.02 0.00 -0.40 0.00 0.00 41.96 40.62 1xqa s TYR 99 CO 0.06 0.47 0.13 0.54 -1.57 0.00 0.00 175.55 175.18 1xqa s VAL 100 N -1.96 -0.02 -0.34 0.71 0.11 -0.39 -4.67 120.40 113.85 1xqa s VAL 100 Ca 0.21 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.04 1xqa s VAL 100 Cb -0.07 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1xqa s VAL 100 CO 0.09 0.03 1.02 -1.61 -3.33 0.00 0.00 175.10 171.30 1xqa s GLU 101 N 0.44 3.99 0.22 1.54 0.41 -1.26 -0.93 118.70 123.10 1xqa s GLU 101 Ca -0.03 0.89 -0.09 0.00 -0.41 0.00 0.00 54.97 55.33 1xqa s GLU 101 Cb -0.04 -3.76 -0.07 0.00 -1.78 0.00 0.00 34.13 28.47 1xqa s GLU 101 CO -0.02 -0.92 0.53 0.00 -0.49 0.00 0.00 175.26 174.36 1xqa s ALA 102 N 3.60 3.59 0.23 5.21 0.00 0.77 -4.97 121.76 130.19 1xqa s ALA 102 Ca 0.43 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 1xqa s ALA 102 Cb -0.12 -2.40 -0.15 0.00 0.00 0.00 0.00 23.12 20.46 1xqa s ALA 102 CO 0.17 0.53 1.10 -2.30 0.00 0.00 0.00 175.76 175.26 1xqa n PRO 103 N -0.10 1.29 0.00 0.00 -0.02 -1.26 -1.62 135.00 133.29 1xqa n PRO 103 Ca 0.00 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1xqa n PRO 103 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1xqa n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xqa n GLY 104 N 1.67 1.10 0.51 -1.23 0.00 -1.26 -4.02 105.19 101.96 1xqa n GLY 104 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xqa n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqa n GLY 105 N -2.00 1.06 3.11 -0.02 0.00 -0.64 -1.27 105.19 105.43 1xqa n GLY 105 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1xqa n GLY 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xqa s PHE 106 N -2.27 0.54 -0.11 1.61 -0.12 -1.23 -4.59 117.98 111.80 1xqa s PHE 106 Ca 0.00 -1.06 -0.08 0.00 -0.05 0.00 0.00 56.93 55.73 1xqa s PHE 106 Cb 0.00 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1xqa s PHE 106 CO 0.00 -0.41 0.18 0.99 -0.05 0.00 0.00 175.22 175.93 1xqa s THR 107 N -3.93 5.43 -0.06 -4.49 2.01 -1.26 -0.16 115.64 113.18 1xqa s THR 107 Ca 0.09 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.42 1xqa s THR 107 Cb 0.08 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1xqa s THR 107 CO -0.09 0.59 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.67 1xqa s ILE 108 N -0.85 3.12 -0.11 1.82 1.01 -0.11 -1.99 121.20 124.10 1xqa s ILE 108 Ca 0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1xqa s ILE 108 Cb -0.13 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1xqa s ILE 108 CO 0.05 0.59 0.06 -0.70 0.00 0.00 0.00 174.94 174.93 1xqa s GLU 109 N -0.65 3.25 -0.00 2.79 2.12 0.62 -1.26 118.70 125.57 1xqa s GLU 109 Ca 0.10 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.19 1xqa s GLU 109 Cb -0.11 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1xqa s GLU 109 CO 0.01 0.69 -0.18 0.08 -0.54 0.00 0.00 175.26 175.33 1xqa s VAL 110 N -0.82 1.39 0.00 3.70 1.01 -0.12 -0.86 120.40 124.70 1xqa s VAL 110 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1xqa s VAL 110 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1xqa s VAL 110 CO 0.03 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.48