#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xja h LEU 9 N 0.00 0.19 -6.72 2.45 5.85 -1.70 -3.37 115.31 112.02 1xja h LEU 9 Ca 0.00 -0.06 -0.59 0.00 0.84 0.00 0.00 57.88 58.07 1xja h LEU 9 Cb 0.00 -0.05 -0.39 0.00 0.37 0.00 0.00 40.66 40.59 1xja h LEU 9 CO 0.00 0.20 -0.82 -0.22 -0.34 0.00 0.00 178.44 177.26 1xja s LEU 10 N -10.06 1.83 0.05 2.25 2.96 -1.26 -4.95 118.68 109.49 1xja s LEU 10 Ca -0.13 -2.56 -0.35 0.00 -0.22 0.00 0.00 54.13 50.87 1xja s LEU 10 Cb 0.07 -0.69 -0.14 0.00 0.50 0.00 0.00 46.19 45.94 1xja s LEU 10 CO 0.69 -0.26 1.63 -2.65 -1.32 0.00 0.00 176.35 174.43 1xja n PRO 11 N 3.58 1.89 0.00 0.98 -0.02 -1.26 -1.96 135.00 138.21 1xja n PRO 11 Ca 0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1xja n PRO 11 Cb 0.38 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1xja n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xja n GLY 12 N 3.57 2.65 0.17 -1.23 0.00 -1.26 -4.87 105.19 104.21 1xja n GLY 12 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1xja n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xja n TYR 13 N -2.00 0.00 -3.95 1.61 9.36 -0.83 -5.08 117.16 116.27 1xja n TYR 13 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1xja n TYR 13 Cb 0.00 -0.77 -0.05 0.00 -0.63 0.00 0.00 39.34 37.90 1xja n TYR 13 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1xja s SER 14 N -6.21 -0.13 -0.00 2.98 0.15 -1.19 -5.04 113.70 104.26 1xja s SER 14 Ca -0.28 -0.84 0.21 0.00 0.70 0.00 0.00 55.95 55.75 1xja s SER 14 Cb 0.08 0.61 -0.19 0.00 -1.71 0.00 0.00 66.02 64.81 1xja s SER 14 CO 0.44 -1.16 0.92 0.49 1.20 0.00 0.00 173.24 175.12 1xja n PHE 15 N -0.39 0.00 -1.71 3.44 3.01 -1.26 -4.18 117.46 116.38 1xja n PHE 15 Ca -0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.00 1xja n PHE 15 Cb 0.61 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 40.04 1xja n PHE 15 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1xja n ASN 16 N -1.52 3.07 -0.00 4.37 3.02 -1.26 -3.62 115.26 119.32 1xja n ASN 16 Ca 0.04 1.18 0.08 0.00 -0.03 0.00 0.00 54.58 55.85 1xja n ASN 16 Cb 0.34 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 37.90 1xja n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xja n ALA 17 N 1.09 3.93 -0.03 5.41 0.00 -1.26 -2.67 120.51 126.99 1xja n ALA 17 Ca 0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 1xja n ALA 17 Cb 0.35 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 1xja n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xja n HIS 18 N -1.49 0.00 -3.72 0.00 8.25 -1.26 -4.24 115.22 112.76 1xja n HIS 18 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1xja n HIS 18 Cb 0.28 -0.21 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 1xja n HIS 18 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1xja s LEU 19 N -5.04 0.24 0.10 2.41 0.20 -1.26 -1.35 118.68 113.97 1xja s LEU 19 Ca -0.06 0.76 0.04 0.00 0.69 0.00 0.00 54.13 55.56 1xja s LEU 19 Cb 0.02 1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 46.92 1xja s LEU 19 CO 0.14 -0.17 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.23 1xja s VAL 20 N 1.00 1.01 0.12 1.68 1.01 -0.11 -4.82 120.40 120.29 1xja s VAL 20 Ca -0.07 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.12 1xja s VAL 20 Cb -0.07 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1xja s VAL 20 CO -0.08 -0.50 0.46 0.00 0.00 0.00 0.00 175.10 174.98 1xja s ALA 21 N -2.26 -1.12 0.20 5.51 0.00 -1.26 -0.55 121.76 122.28 1xja s ALA 21 Ca 0.05 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.93 1xja s ALA 21 Cb -0.04 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.84 1xja s ALA 21 CO 0.01 -0.65 0.97 0.20 0.00 0.00 0.00 175.76 176.29 1xja s GLY 22 N -2.67 -0.02 -0.02 0.00 0.00 -0.91 -4.67 107.32 99.03 1xja s GLY 22 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.64 1xja s GLY 22 CO -0.11 0.90 -0.24 -2.27 0.00 0.00 0.00 173.10 171.38 1xja s LEU 23 N -3.14 2.05 -0.35 0.66 2.96 -1.26 -1.70 118.68 117.90 1xja s LEU 23 Ca 0.16 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1xja s LEU 23 Cb -0.02 -1.27 0.11 0.00 0.50 0.00 0.00 46.19 45.51 1xja s LEU 23 CO 0.05 0.30 0.12 -0.89 -1.32 0.00 0.00 176.35 174.61 1xja s THR 24 N -0.55 1.37 -1.41 3.68 2.01 -0.66 -5.03 115.64 115.05 1xja s THR 24 Ca 0.09 -1.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.08 1xja s THR 24 Cb -0.10 -2.01 0.06 0.00 0.01 0.00 0.00 72.50 70.47 1xja s THR 24 CO -0.01 -0.71 2.44 -0.81 -0.69 0.00 0.00 174.62 174.84 1xja n PRO 25 N 4.38 4.04 -1.67 4.92 -0.04 -1.26 -2.13 135.00 143.24 1xja n PRO 25 Ca 0.02 -3.06 -0.44 0.00 -0.04 0.00 0.00 63.50 59.98 1xja n PRO 25 Cb 0.40 -2.78 -0.04 0.00 -0.04 0.00 0.00 33.50 31.04 1xja n PRO 25 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xja n ILE 26 N 2.79 0.69 -5.12 0.52 5.41 -1.10 -4.88 119.36 117.67 1xja n ILE 26 Ca 0.62 -0.12 -0.32 0.00 1.00 0.00 0.00 62.75 63.93 1xja n ILE 26 Cb 0.27 -2.18 -0.15 0.00 -0.71 0.00 0.00 39.64 36.87 1xja n ILE 26 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1xja s GLU 27 N 4.23 2.50 0.09 0.38 2.02 -1.26 -0.10 118.70 126.56 1xja s GLU 27 Ca 0.90 -0.83 -0.36 0.00 0.02 0.00 0.00 54.97 54.69 1xja s GLU 27 Cb -0.51 -2.24 -0.17 0.00 0.10 0.00 0.00 34.13 31.31 1xja s GLU 27 CO 0.44 0.49 1.24 0.00 0.02 0.00 0.00 175.26 177.45 1xja n ALA 28 N 2.68 -1.51 -0.90 5.21 0.00 0.22 -0.96 120.51 125.24 1xja n ALA 28 Ca -0.17 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1xja n ALA 28 Cb 0.52 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1xja n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xja n ASN 29 N 2.22 -3.23 -4.31 0.00 5.03 -1.26 -4.99 115.26 108.72 1xja n ASN 29 Ca 0.18 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.37 1xja n ASN 29 Cb 0.18 -2.05 0.16 0.00 -1.02 0.00 0.00 39.78 37.05 1xja n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xja n GLY 30 N -1.05 -0.31 0.37 7.41 0.00 -0.14 -4.91 105.19 106.56 1xja n GLY 30 Ca 0.00 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.23 1xja n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xja h VAL 31 N -1.13 0.90 -0.01 1.61 -1.51 -1.94 -1.71 116.25 112.45 1xja h VAL 31 Ca -0.38 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 1xja h VAL 31 Cb 1.23 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1xja h VAL 31 CO 0.34 0.14 -0.14 0.18 -1.23 0.00 0.00 177.57 176.85 1xja n LEU 32 N -4.54 0.99 -4.48 4.19 4.77 -1.26 -4.70 117.00 111.97 1xja n LEU 32 Ca 0.16 -0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.55 1xja n LEU 32 Cb 0.39 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1xja n LEU 32 CO 0.31 0.18 1.71 -0.67 -1.33 0.00 0.00 177.39 177.58 1xja n ASP 33 N -0.51 3.53 -3.55 -1.43 2.03 -0.65 -4.79 116.55 111.19 1xja n ASP 33 Ca 0.15 -2.76 -0.11 0.00 0.52 0.00 0.00 54.79 52.59 1xja n ASP 33 Cb 0.32 -1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.00 1xja n ASP 33 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1xja s PHE 34 N 8.64 -0.34 0.36 -0.67 -0.71 -1.26 -4.81 117.98 119.19 1xja s PHE 34 Ca 0.63 0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 56.49 1xja s PHE 34 Cb 0.02 0.39 -0.07 0.00 -1.21 0.00 0.00 43.02 42.16 1xja s PHE 34 CO 0.12 -0.78 0.71 -0.06 -1.34 0.00 0.00 175.22 173.87 1xja s PHE 35 N -3.79 3.45 -0.12 3.49 0.40 -1.26 -4.67 117.98 115.49 1xja s PHE 35 Ca 0.02 0.99 -0.02 0.00 -0.60 0.00 0.00 56.93 57.32 1xja s PHE 35 Cb 0.00 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1xja s PHE 35 CO -0.12 -0.01 -0.03 0.42 0.70 0.00 0.00 175.22 176.18 1xja s ILE 36 N -2.24 4.00 -0.10 0.64 -1.09 -0.49 -4.99 121.20 116.93 1xja s ILE 36 Ca 0.50 -0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1xja s ILE 36 Cb -0.10 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 38.10 1xja s ILE 36 CO 0.29 0.55 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.85 1xja s ASP 37 N -0.27 2.08 -0.44 3.58 -1.08 -1.26 -2.61 116.67 116.66 1xja s ASP 37 Ca 0.05 -0.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.81 1xja s ASP 37 Cb -0.13 -0.82 0.15 0.00 -1.46 0.00 0.00 42.92 40.66 1xja s ASP 37 CO 0.02 -0.10 0.27 -0.13 0.52 0.00 0.00 175.17 175.76 1xja s ARG 38 N 1.56 1.18 0.16 4.34 0.52 0.72 -4.99 118.95 122.43 1xja s ARG 38 Ca 0.02 -2.01 0.13 0.00 -0.52 0.00 0.00 55.73 53.35 1xja s ARG 38 Cb -0.13 -2.07 0.65 0.00 0.52 0.00 0.00 34.95 33.92 1xja s ARG 38 CO -0.06 -1.22 1.40 -0.35 0.02 0.00 0.00 175.30 175.08 1xja n PRO 39 N 3.38 0.08 -0.06 3.54 -0.04 -1.26 -2.17 135.00 138.47 1xja n PRO 39 Ca 0.14 0.52 0.01 0.00 -0.04 0.00 0.00 63.50 64.13 1xja n PRO 39 Cb 0.37 -1.73 0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1xja n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xja n LEU 40 N -1.89 1.10 0.00 1.53 4.77 -1.26 -4.88 117.00 116.37 1xja n LEU 40 Ca 0.00 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 1xja n LEU 40 Cb 0.06 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1xja n LEU 40 CO 0.08 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1xja n GLY 41 N -0.37 0.96 3.27 -0.72 0.00 -0.92 -4.36 105.19 103.05 1xja n GLY 41 Ca 0.02 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1xja n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xja s MET 42 N 0.00 1.14 0.13 1.61 1.00 -1.26 -4.82 119.30 117.10 1xja s MET 42 Ca 0.00 -1.52 -0.15 0.00 0.00 0.00 0.00 55.69 54.02 1xja s MET 42 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 34.83 34.20 1xja s MET 42 CO 0.00 0.02 1.58 1.57 0.00 0.00 0.00 175.02 178.19 1xja h LYS 43 N 2.69 0.70 0.00 2.03 -0.00 -1.94 -1.57 116.57 118.47 1xja h LYS 43 Ca -0.37 -0.21 -0.38 0.00 -0.00 0.00 0.00 60.65 59.69 1xja h LYS 43 Cb 1.20 -0.07 0.05 0.00 -0.00 0.00 0.00 32.23 33.41 1xja h LYS 43 CO 0.64 0.77 0.02 0.41 -0.00 0.00 0.00 179.45 181.28 1xja n GLY 44 N -0.41 1.33 3.91 0.07 0.00 -1.26 -4.53 105.19 104.29 1xja n GLY 44 Ca -0.01 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 1xja n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xja s TYR 45 N -2.17 3.52 -0.01 1.61 1.51 0.27 -3.97 117.35 118.11 1xja s TYR 45 Ca 0.51 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1xja s TYR 45 Cb -0.03 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 1xja s TYR 45 CO 0.33 -0.09 -0.00 0.42 -1.11 0.00 0.00 175.55 175.10 1xja s ILE 46 N -2.48 0.09 -0.08 2.71 1.01 -0.34 -1.00 121.20 121.12 1xja s ILE 46 Ca 0.46 0.03 0.05 0.00 0.00 0.00 0.00 60.65 61.19 1xja s ILE 46 Cb -0.10 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 1xja s ILE 46 CO 0.38 0.07 -0.23 -0.76 0.00 0.00 0.00 174.94 174.40 1xja s LEU 47 N 0.46 2.17 -0.07 2.97 1.02 -0.72 -0.07 118.68 124.44 1xja s LEU 47 Ca -0.04 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.62 1xja s LEU 47 Cb -0.06 -1.42 0.02 0.00 0.02 0.00 0.00 46.19 44.75 1xja s LEU 47 CO -0.01 0.22 -0.06 0.21 0.02 0.00 0.00 176.35 176.72 1xja s ASN 48 N 0.02 1.63 -0.17 2.29 3.84 -0.05 -1.51 114.94 120.99 1xja s ASN 48 Ca -0.08 -0.21 0.00 0.00 0.21 0.00 0.00 52.86 52.78 1xja s ASN 48 Cb -0.15 -0.65 0.01 0.00 -0.55 0.00 0.00 41.25 39.91 1xja s ASN 48 CO 0.05 -0.08 -0.17 -0.22 -2.79 0.00 0.00 177.10 173.90 1xja s LEU 49 N 1.30 2.33 -0.07 3.21 2.96 0.88 -0.25 118.68 129.03 1xja s LEU 49 Ca -0.04 -0.56 -0.27 0.00 -0.22 0.00 0.00 54.13 53.04 1xja s LEU 49 Cb -0.14 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1xja s LEU 49 CO -0.03 0.03 0.89 -0.89 -1.32 0.00 0.00 176.35 175.04 1xja s THR 50 N 1.10 4.90 -0.04 3.68 2.01 -1.05 0.27 115.64 126.52 1xja s THR 50 Ca 0.00 1.82 0.11 0.00 0.31 0.00 0.00 61.69 63.93 1xja s THR 50 Cb -0.14 -4.21 -0.16 0.00 0.01 0.00 0.00 72.50 67.99 1xja s THR 50 CO -0.06 0.13 0.24 2.30 -0.69 0.00 0.00 174.62 176.53 1xja n ILE 51 N 4.16 0.00 -3.70 1.82 -5.35 0.88 -0.75 119.36 116.42 1xja n ILE 51 Ca 0.04 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.15 1xja n ILE 51 Cb 0.50 0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 38.61 1xja n ILE 51 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1xja s ARG 52 N -2.69 0.59 2.52 6.28 0.52 -0.99 -4.87 118.95 120.30 1xja s ARG 52 Ca -0.03 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 1xja s ARG 52 Cb 0.07 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1xja s ARG 52 CO 0.43 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 176.09 1xja n GLY 53 N 2.80 -0.62 3.17 -3.53 0.00 -1.26 0.00 105.19 105.74 1xja n GLY 53 Ca -0.13 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 1xja n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xja s GLN 54 N 0.00 0.57 0.28 1.61 -0.21 -1.10 -4.08 119.66 116.73 1xja s GLN 54 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.15 1xja s GLN 54 Cb 0.00 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 34.20 1xja s GLN 54 CO 0.00 -0.14 0.03 0.20 -2.12 0.00 0.00 175.29 173.25 1xja s GLY 55 N -1.29 1.86 -0.11 3.09 0.00 -0.95 -1.04 107.32 108.88 1xja s GLY 55 Ca -0.13 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.65 1xja s GLY 55 CO 0.03 -1.75 -0.09 0.54 0.00 0.00 0.00 173.10 171.82 1xja s VAL 56 N -3.34 1.14 -0.23 1.40 0.11 -0.66 -1.66 120.40 117.16 1xja s VAL 56 Ca 0.33 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.90 1xja s VAL 56 Cb 0.07 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1xja s VAL 56 CO 0.13 0.38 0.15 -0.69 -3.33 0.00 0.00 175.10 171.75 1xja s VAL 57 N 1.54 5.36 0.10 2.04 1.01 0.12 -3.12 120.40 127.46 1xja s VAL 57 Ca 0.03 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.27 1xja s VAL 57 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1xja s VAL 57 CO -0.07 0.36 -0.18 -0.54 0.00 0.00 0.00 175.10 174.66 1xja s LYS 58 N 0.96 1.83 -0.30 2.72 1.02 0.62 -0.45 119.74 126.14 1xja s LYS 58 Ca 0.08 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1xja s LYS 58 Cb -0.13 -2.12 0.19 0.00 -0.52 0.00 0.00 37.83 35.25 1xja s LYS 58 CO 0.04 0.49 0.67 1.21 -0.92 0.00 0.00 175.35 176.84 1xja s ASN 59 N -2.01 -1.34 -0.67 2.83 3.84 -0.34 -4.17 114.94 113.08 1xja s ASN 59 Ca 0.17 0.45 -0.11 0.00 0.21 0.00 0.00 52.86 53.58 1xja s ASN 59 Cb -0.11 1.97 0.02 0.00 -0.55 0.00 0.00 41.25 42.58 1xja s ASN 59 CO 0.09 -0.25 0.64 0.00 -2.79 0.00 0.00 177.10 174.79 1xja n GLN 60 N 5.40 -1.69 -0.23 0.43 6.02 -1.26 -2.24 117.38 123.80 1xja n GLN 60 Ca 0.02 1.28 0.00 0.00 -0.01 0.00 0.00 57.00 58.29 1xja n GLN 60 Cb 0.53 -3.57 0.00 0.00 1.02 0.00 0.00 30.24 28.22 1xja n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xja n GLY 61 N -1.17 1.21 3.81 1.08 0.00 -1.26 -4.97 105.19 103.90 1xja n GLY 61 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1xja n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xja s ARG 62 N -0.15 3.08 0.18 1.61 0.52 -0.95 -5.12 118.95 118.11 1xja s ARG 62 Ca 0.00 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1xja s ARG 62 Cb 0.00 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 1xja s ARG 62 CO 0.00 0.62 -0.07 -1.21 0.02 0.00 0.00 175.30 174.65 1xja s GLU 63 N -2.08 1.17 -0.20 3.54 2.02 -1.26 -1.20 118.70 120.70 1xja s GLU 63 Ca 0.27 -1.54 -0.13 0.00 0.02 0.00 0.00 54.97 53.59 1xja s GLU 63 Cb -0.12 -0.65 0.06 0.00 0.10 0.00 0.00 34.13 33.51 1xja s GLU 63 CO 0.19 0.02 0.50 0.12 0.02 0.00 0.00 175.26 176.12 1xja s PHE 64 N -3.33 -0.69 -0.47 1.61 5.36 0.40 -4.93 117.98 115.93 1xja s PHE 64 Ca 0.21 1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 57.51 1xja s PHE 64 Cb 0.03 0.32 0.05 0.00 -0.34 0.00 0.00 43.02 43.09 1xja s PHE 64 CO 0.04 -0.36 0.50 0.08 -1.46 0.00 0.00 175.22 174.01 1xja s VAL 65 N 1.10 5.05 0.11 3.12 1.01 -1.26 0.14 120.40 129.67 1xja s VAL 65 Ca -0.07 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 1xja s VAL 65 Cb -0.06 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1xja s VAL 65 CO -0.10 -0.62 0.74 0.00 0.00 0.00 0.00 175.10 175.13 1xja s ARG 67 N -0.75 1.95 -0.19 0.00 0.52 -1.26 -2.24 118.95 116.98 1xja s ARG 67 Ca 0.36 -1.95 -0.39 0.00 -0.52 0.00 0.00 55.73 53.22 1xja s ARG 67 Cb -0.22 -1.75 -0.16 0.00 0.52 0.00 0.00 34.95 33.34 1xja s ARG 67 CO 0.24 0.05 1.64 -2.30 0.02 0.00 0.00 175.30 174.95 1xja n PRO 68 N -0.92 1.13 0.00 3.54 -0.02 -1.26 -0.46 135.00 137.01 1xja n PRO 68 Ca -0.04 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1xja n PRO 68 Cb 0.65 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1xja n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xja n GLY 69 N 3.75 1.55 3.70 -1.23 0.00 0.07 -5.00 105.19 108.03 1xja n GLY 69 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1xja n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xja s ASP 70 N -1.61 7.24 -0.17 1.61 1.01 0.39 -4.36 116.67 120.78 1xja s ASP 70 Ca 0.00 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 54.93 1xja s ASP 70 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1xja s ASP 70 CO 0.00 -0.40 -0.09 -0.63 0.21 0.00 0.00 175.17 174.26 1xja s ILE 71 N 1.53 3.19 0.09 0.77 1.01 -0.66 -2.52 121.20 124.62 1xja s ILE 71 Ca 0.52 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1xja s ILE 71 Cb -0.22 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1xja s ILE 71 CO 0.24 0.48 0.01 -0.76 0.00 0.00 0.00 174.94 174.91 1xja s LEU 72 N 0.84 3.51 -0.16 2.97 1.43 0.65 -0.94 118.68 126.98 1xja s LEU 72 Ca -0.03 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1xja s LEU 72 Cb -0.15 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.86 1xja s LEU 72 CO 0.01 0.17 -0.16 -0.22 0.23 0.00 0.00 176.35 176.38 1xja s LEU 73 N -2.34 1.85 -0.35 1.79 2.96 -0.79 -0.87 118.68 120.93 1xja s LEU 73 Ca 0.26 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1xja s LEU 73 Cb -0.12 -1.27 0.08 0.00 0.50 0.00 0.00 46.19 45.38 1xja s LEU 73 CO 0.19 -0.04 0.10 -0.36 -1.32 0.00 0.00 176.35 174.91 1xja s PHE 74 N 1.42 3.44 0.97 5.38 0.40 0.91 0.49 117.98 130.98 1xja s PHE 74 Ca 0.05 -2.16 -0.15 0.00 -0.60 0.00 0.00 56.93 54.07 1xja s PHE 74 Cb -0.13 -2.67 0.18 0.00 0.51 0.00 0.00 43.02 40.91 1xja s PHE 74 CO -0.11 -0.88 1.21 -1.25 0.70 0.00 0.00 175.22 174.88 1xja s PRO 75 N 1.19 0.65 0.29 0.24 0.04 -1.26 -1.20 135.00 134.95 1xja s PRO 75 Ca 0.02 -0.07 -0.29 0.00 0.04 0.00 0.00 61.00 60.70 1xja s PRO 75 Cb -0.21 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1xja s PRO 75 CO -0.03 -2.46 1.30 -2.30 0.04 0.00 0.00 177.00 173.56 1xja n PRO 76 N -3.88 1.99 0.00 0.56 -0.02 -1.25 -1.77 135.00 130.63 1xja n PRO 76 Ca 0.11 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1xja n PRO 76 Cb 0.60 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1xja n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xja n GLY 77 N 1.39 2.25 3.76 -1.23 0.00 -0.59 -4.92 105.19 105.85 1xja n GLY 77 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1xja n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xja s GLU 78 N 0.00 3.09 0.16 1.61 2.56 -0.73 -4.07 118.70 121.32 1xja s GLU 78 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 54.97 56.49 1xja s GLU 78 Cb 0.00 -1.99 -0.07 0.00 2.00 0.00 0.00 34.13 34.07 1xja s GLU 78 CO 0.00 -1.11 1.03 0.42 -0.56 0.00 0.00 175.26 175.04 1xja s ILE 79 N -1.59 4.11 -0.16 -3.70 1.01 -1.26 -3.32 121.20 116.28 1xja s ILE 79 Ca 0.76 1.83 -0.01 0.00 0.00 0.00 0.00 60.65 63.22 1xja s ILE 79 Cb -0.30 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 37.99 1xja s ILE 79 CO 0.33 0.32 -0.10 -1.00 0.00 0.00 0.00 174.94 174.48 1xja s HIS 80 N -0.27 2.87 -0.36 3.97 3.76 -1.03 -4.98 115.29 119.25 1xja s HIS 80 Ca 0.48 -0.79 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 1xja s HIS 80 Cb -0.27 -1.94 0.18 0.00 1.11 0.00 0.00 32.58 31.66 1xja s HIS 80 CO 0.33 -0.35 0.55 -1.58 -0.85 0.00 0.00 174.74 172.83 1xja s HIS 81 N 0.78 -1.41 0.12 1.40 5.04 -1.25 -0.20 115.29 119.76 1xja s HIS 81 Ca -0.04 0.27 -0.11 0.00 -1.54 0.00 0.00 55.06 53.64 1xja s HIS 81 Cb -0.15 0.13 0.01 0.00 0.04 0.00 0.00 32.58 32.60 1xja s HIS 81 CO 0.01 -1.10 0.26 1.52 -2.34 0.00 0.00 174.74 173.10 1xja s TYR 82 N 2.10 0.12 -0.02 3.88 -0.85 -1.07 -0.27 117.35 121.23 1xja s TYR 82 Ca 0.14 -0.51 -0.30 0.00 -0.52 0.00 0.00 57.07 55.88 1xja s TYR 82 Cb -0.09 0.02 0.11 0.00 0.38 0.00 0.00 41.96 42.39 1xja s TYR 82 CO -0.14 -0.63 1.30 0.20 -1.52 0.00 0.00 175.55 174.76 1xja s GLY 83 N -2.87 -0.31 0.39 5.49 0.00 -1.18 -1.40 107.32 107.43 1xja s GLY 83 Ca 0.07 0.47 -0.25 0.00 0.00 0.00 0.00 44.72 45.01 1xja s GLY 83 CO -0.09 2.09 1.06 -2.13 0.00 0.00 0.00 173.10 174.04 1xja n ARG 84 N -0.64 1.49 -2.41 2.90 0.63 -1.26 -1.66 116.66 115.71 1xja n ARG 84 Ca -0.04 0.53 -0.42 0.00 -0.92 0.00 0.00 57.85 57.00 1xja n ARG 84 Cb 0.61 -2.07 -0.03 0.00 0.45 0.00 0.00 32.46 31.43 1xja n ARG 84 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1xja s HIS 85 N -1.21 3.44 0.34 -0.14 5.65 -0.20 -4.60 115.29 118.56 1xja s HIS 85 Ca 0.61 1.32 0.12 0.00 0.25 0.00 0.00 55.06 57.36 1xja s HIS 85 Cb -0.58 -3.42 0.94 0.00 -1.18 0.00 0.00 32.58 28.34 1xja s HIS 85 CO 0.58 -1.27 1.75 -1.00 -0.65 0.00 0.00 174.74 174.15 1xja h PRO 86 N 6.47 0.53 0.00 2.88 0.13 -1.91 0.21 132.00 140.30 1xja h PRO 86 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xja h PRO 86 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xja h PRO 86 CO 0.80 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 179.31 1xja n GLU 87 N -4.79 0.66 -3.79 0.86 1.02 -1.26 -4.82 120.64 108.51 1xja n GLU 87 Ca 0.26 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 1xja n GLU 87 Cb 0.77 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.64 1xja n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xja s ALA 88 N -2.29 3.87 0.22 0.62 0.00 0.72 -5.00 121.76 119.90 1xja s ALA 88 Ca 0.36 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1xja s ALA 88 Cb 0.20 -2.02 0.20 0.00 0.00 0.00 0.00 23.12 21.49 1xja s ALA 88 CO 0.39 0.67 1.60 0.00 0.00 0.00 0.00 175.76 178.42 1xja h ARG 89 N 3.95 0.65 0.00 0.00 3.08 -1.88 -3.45 114.38 116.74 1xja h ARG 89 Ca -0.50 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.16 1xja h ARG 89 Cb 1.20 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1xja h ARG 89 CO 0.67 0.90 0.09 -0.85 -1.07 0.00 0.00 179.97 179.71 1xja n GLU 90 N -4.06 0.74 -3.25 0.04 0.00 -1.26 -0.61 120.64 112.24 1xja n GLU 90 Ca -0.01 -1.85 -0.04 0.00 0.00 0.00 0.00 57.16 55.26 1xja n GLU 90 Cb 0.49 2.09 -0.03 0.00 0.00 0.00 0.00 31.44 33.98 1xja n GLU 90 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 1xja s TRP 91 N -3.70 -1.30 -0.25 -1.84 -0.00 0.86 -2.71 118.94 110.00 1xja s TRP 91 Ca 0.16 -0.02 -0.21 0.00 -0.00 0.00 0.00 56.10 56.03 1xja s TRP 91 Cb -0.03 0.09 -0.02 0.00 -0.00 0.00 0.00 33.47 33.52 1xja s TRP 91 CO 0.11 -1.11 0.65 0.71 -0.00 0.00 0.00 176.95 177.32 1xja s TYR 92 N 1.80 3.29 0.01 5.86 1.51 0.10 -2.72 117.35 127.20 1xja s TYR 92 Ca 0.16 0.86 0.01 0.00 -1.01 0.00 0.00 57.07 57.09 1xja s TYR 92 Cb -0.08 -2.86 -0.01 0.00 -0.11 0.00 0.00 41.96 38.90 1xja s TYR 92 CO -0.08 -0.33 -0.05 -3.38 -1.11 0.00 0.00 175.55 170.61 1xja s HIS 93 N 2.51 0.45 -0.11 2.71 -3.43 -0.91 -0.08 115.29 116.43 1xja s HIS 93 Ca 0.27 -0.22 -0.04 0.00 -0.80 0.00 0.00 55.06 54.27 1xja s HIS 93 Cb -0.15 -0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 30.68 1xja s HIS 93 CO 0.08 -0.04 0.04 -0.65 -2.00 0.00 0.00 174.74 172.17 1xja s GLN 94 N -0.60 3.25 0.16 -0.38 -0.21 0.14 -1.65 119.66 120.37 1xja s GLN 94 Ca -0.03 -0.35 0.05 0.00 0.02 0.00 0.00 55.36 55.06 1xja s GLN 94 Cb -0.04 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1xja s GLN 94 CO -0.00 0.64 -0.12 1.67 -2.12 0.00 0.00 175.29 175.36 1xja s TRP 95 N -0.68 1.39 -0.09 0.91 1.48 -0.69 -0.08 118.94 121.18 1xja s TRP 95 Ca 0.11 -0.69 -0.04 0.00 -1.06 0.00 0.00 56.10 54.43 1xja s TRP 95 Cb -0.12 -0.69 0.05 0.00 -1.16 0.00 0.00 33.47 31.55 1xja s TRP 95 CO 0.02 0.16 0.19 0.54 -4.06 0.00 0.00 176.95 173.80 1xja s VAL 96 N -3.09 -0.25 -0.15 -0.66 0.11 -0.57 -2.13 120.40 113.66 1xja s VAL 96 Ca 0.17 0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 59.46 1xja s VAL 96 Cb 0.01 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 1xja s VAL 96 CO 0.02 0.12 0.07 -0.47 -3.33 0.00 0.00 175.10 171.52 1xja s TYR 97 N 2.07 3.30 0.24 1.54 5.04 0.29 -1.76 117.35 128.08 1xja s TYR 97 Ca -0.00 0.18 -0.22 0.00 -2.44 0.00 0.00 57.07 54.59 1xja s TYR 97 Cb -0.12 -2.00 0.04 0.00 0.35 0.00 0.00 41.96 40.22 1xja s TYR 97 CO -0.07 0.32 0.72 -0.59 -1.34 0.00 0.00 175.55 174.59 1xja s PHE 98 N -0.11 -0.26 -0.26 4.97 -0.71 -0.17 -0.93 117.98 120.51 1xja s PHE 98 Ca 0.07 -0.12 -0.04 0.00 -1.04 0.00 0.00 56.93 55.80 1xja s PHE 98 Cb -0.12 0.67 0.01 0.00 -1.21 0.00 0.00 43.02 42.37 1xja s PHE 98 CO 0.01 -1.11 0.00 -0.98 -1.34 0.00 0.00 175.22 171.81 1xja s ARG 99 N -3.81 3.04 0.76 1.99 3.03 -0.46 -0.56 118.95 122.94 1xja s ARG 99 Ca 0.09 -0.86 -0.12 0.00 2.03 0.00 0.00 55.73 56.87 1xja s ARG 99 Cb -0.04 -3.15 0.05 0.00 -1.03 0.00 0.00 34.95 30.77 1xja s ARG 99 CO 0.02 -0.38 1.10 -1.25 -1.13 0.00 0.00 175.30 173.66 1xja s PRO 100 N 1.43 2.29 0.55 3.89 0.04 -1.26 -4.90 135.00 137.03 1xja s PRO 100 Ca 0.02 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1xja s PRO 100 Cb -0.16 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1xja s PRO 100 CO -0.01 -1.63 1.02 1.03 0.04 0.00 0.00 177.00 177.44 1xja s ARG 101 N -4.69 3.67 0.29 4.56 0.52 -1.26 -4.94 118.95 117.10 1xja s ARG 101 Ca 0.63 1.08 0.04 0.00 -0.52 0.00 0.00 55.73 56.96 1xja s ARG 101 Cb -0.18 -2.09 0.67 0.00 0.52 0.00 0.00 34.95 33.87 1xja s ARG 101 CO 0.53 -0.51 1.77 0.00 0.02 0.00 0.00 175.30 177.11 1xja h ALA 102 N 0.74 1.54 -0.04 2.13 0.00 -2.06 -2.25 119.26 119.32 1xja h ALA 102 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xja h ALA 102 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xja h ALA 102 CO 0.60 -0.06 0.00 2.48 0.00 0.00 0.00 179.25 182.26 1xja n TYR 103 N -4.81 0.05 0.12 0.00 0.18 -1.26 -3.77 117.16 107.68 1xja n TYR 103 Ca 0.21 -0.03 0.05 0.00 1.88 0.00 0.00 57.90 60.02 1xja n TYR 103 Cb 0.53 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.51 1xja n TYR 103 CO 0.00 0.00 0.00 -1.49 -2.08 0.00 0.00 176.86 173.29 1xja h TRP 104 N 0.34 0.00 -1.07 -3.48 4.06 -1.78 -3.39 115.95 110.63 1xja h TRP 104 Ca 0.00 0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.23 1xja h TRP 104 Cb 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.15 1xja h TRP 104 CO 0.03 0.32 0.70 0.45 -3.56 0.00 0.00 178.44 176.38 1xja h HIS 105 N 0.00 0.54 0.00 0.49 3.86 -1.76 0.49 115.15 118.77 1xja h HIS 105 Ca -0.05 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1xja h HIS 105 Cb 1.29 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1xja h HIS 105 CO 0.00 0.04 -0.07 0.93 0.86 0.00 0.00 177.93 179.69 1xja h GLU 106 N 0.31 0.00 -0.62 2.45 4.39 -1.89 -2.20 114.58 117.02 1xja h GLU 106 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1xja h GLU 106 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1xja h GLU 106 CO -0.25 0.07 0.00 0.91 -1.16 0.00 0.00 179.01 178.58 1xja n TRP 107 N -3.59 0.83 -0.01 4.33 8.01 0.17 -4.26 117.44 122.92 1xja n TRP 107 Ca -0.02 -0.48 0.04 0.00 -1.31 0.00 0.00 57.50 55.74 1xja n TRP 107 Cb 0.18 -0.01 0.10 0.00 -2.01 0.00 0.00 31.31 29.58 1xja n TRP 107 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1xja n LEU 108 N 1.40 2.48 -4.38 -0.99 4.77 -0.83 -4.83 117.00 114.63 1xja n LEU 108 Ca 0.21 -1.74 -0.45 0.00 -0.03 0.00 0.00 56.01 54.00 1xja n LEU 108 Cb 0.58 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1xja n LEU 108 CO 0.15 0.60 0.78 0.21 -1.33 0.00 0.00 177.39 177.79 1xja s ASN 109 N -0.93 6.92 0.37 -1.43 3.04 -1.24 -5.02 114.94 116.65 1xja s ASN 109 Ca 0.16 -2.81 0.02 0.00 0.04 0.00 0.00 52.86 50.27 1xja s ASN 109 Cb 0.09 -2.28 -0.02 0.00 -1.54 0.00 0.00 41.25 37.50 1xja s ASN 109 CO 0.12 -0.64 0.57 0.26 -3.04 0.00 0.00 177.10 174.37 1xja s TRP 110 N 0.59 3.35 0.15 0.43 0.52 -1.26 -5.05 118.94 117.66 1xja s TRP 110 Ca 0.28 0.21 -0.31 0.00 0.02 0.00 0.00 56.10 56.30 1xja s TRP 110 Cb -0.08 -2.03 -0.08 0.00 -1.15 0.00 0.00 33.47 30.13 1xja s TRP 110 CO -0.08 -0.04 1.32 -2.14 0.02 0.00 0.00 176.95 176.04 1xja s PRO 111 N -4.36 4.37 0.15 4.98 0.02 -1.26 -4.73 135.00 134.18 1xja s PRO 111 Ca 0.43 2.02 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 1xja s PRO 111 Cb -0.10 -3.23 -0.06 0.00 0.02 0.00 0.00 34.50 31.13 1xja s PRO 111 CO 0.36 -0.32 0.46 -1.54 -0.33 0.00 0.00 177.00 175.62 1xja s SER 112 N 0.72 6.61 0.24 2.53 1.04 -1.26 -0.73 113.70 122.85 1xja s SER 112 Ca 0.60 0.80 0.23 0.00 0.48 0.00 0.00 55.95 58.06 1xja s SER 112 Cb -0.36 -2.18 0.15 0.00 0.10 0.00 0.00 66.02 63.73 1xja s SER 112 CO 0.34 0.05 1.23 0.16 0.98 0.00 0.00 173.24 175.99 1xja h ILE 113 N 2.32 0.00 0.00 -1.02 3.07 -1.71 -3.48 117.51 116.70 1xja h ILE 113 Ca -0.47 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.03 1xja h ILE 113 Cb 1.18 1.55 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 1xja h ILE 113 CO 0.69 0.00 0.00 2.22 -1.05 0.00 0.00 178.15 180.01 1xja n PHE 114 N -2.68 0.00 0.00 0.16 1.16 -1.26 -5.07 117.46 109.77 1xja n PHE 114 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.60 1xja n PHE 114 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1xja n PHE 114 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1xja n ALA 115 N -0.07 0.00 -1.97 1.98 0.00 -1.26 -1.38 120.51 117.81 1xja n ALA 115 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xja n ALA 115 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 1xja n ALA 115 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xja n ASN 116 N 4.58 2.14 -4.51 0.00 4.05 -1.26 -4.87 115.26 115.39 1xja n ASN 116 Ca 0.00 -3.32 -0.43 0.00 0.45 0.00 0.00 54.58 51.28 1xja n ASN 116 Cb 0.00 -0.44 -0.06 0.00 1.23 0.00 0.00 39.78 40.51 1xja n ASN 116 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1xja s THR 117 N -2.83 4.71 0.85 -0.44 2.01 -0.48 -4.48 115.64 114.98 1xja s THR 117 Ca 0.39 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.37 1xja s THR 117 Cb 0.38 -4.32 0.11 0.00 0.01 0.00 0.00 72.50 68.67 1xja s THR 117 CO -0.07 -0.78 1.12 -0.83 -0.69 0.00 0.00 174.62 173.37 1xja s GLY 118 N 2.36 1.68 -0.17 4.40 0.00 0.18 -2.07 107.32 113.70 1xja s GLY 118 Ca 0.24 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.28 1xja s GLY 118 CO 0.18 0.82 0.42 -0.12 0.00 0.00 0.00 173.10 174.40 1xja s PHE 119 N -2.77 -0.56 -0.19 1.90 2.19 0.09 -1.88 117.98 116.77 1xja s PHE 119 Ca 0.64 1.24 -0.04 0.00 0.33 0.00 0.00 56.93 59.10 1xja s PHE 119 Cb -0.20 0.23 0.09 0.00 -1.31 0.00 0.00 43.02 41.83 1xja s PHE 119 CO 0.57 -0.30 0.23 0.12 1.83 0.00 0.00 175.22 177.67 1xja s PHE 120 N 0.99 -0.32 -0.37 10.12 5.36 -0.12 -4.36 117.98 129.29 1xja s PHE 120 Ca -0.06 0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 56.24 1xja s PHE 120 Cb -0.06 -0.29 0.07 0.00 -0.34 0.00 0.00 43.02 42.39 1xja s PHE 120 CO -0.08 -0.55 0.15 0.50 -1.46 0.00 0.00 175.22 173.78 1xja s ARG 121 N 2.35 2.43 0.83 10.12 3.52 -1.26 -1.65 118.95 135.29 1xja s ARG 121 Ca 0.06 -1.43 -0.11 0.00 -0.13 0.00 0.00 55.73 54.13 1xja s ARG 121 Cb -0.15 -3.53 0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1xja s ARG 121 CO -0.11 -0.83 1.12 -2.14 -0.81 0.00 0.00 175.30 172.53 1xja s PRO 122 N 1.32 1.71 0.69 5.12 0.02 -1.26 -4.97 135.00 137.62 1xja s PRO 122 Ca 0.01 1.38 -0.17 0.00 0.02 0.00 0.00 61.00 62.25 1xja s PRO 122 Cb -0.21 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 1xja s PRO 122 CO 0.00 -2.09 1.10 -0.25 -0.33 0.00 0.00 177.00 175.44 1xja n ASP 123 N -3.76 1.13 -0.29 2.53 9.92 -1.26 -4.67 116.55 120.15 1xja n ASP 123 Ca 0.11 0.74 0.17 0.00 -0.53 0.00 0.00 54.79 55.27 1xja n ASP 123 Cb 0.52 -1.47 0.43 0.00 -0.64 0.00 0.00 41.12 39.97 1xja n ASP 123 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xja h GLU 124 N 0.06 0.54 0.00 -1.24 4.81 -2.01 0.92 114.58 117.67 1xja h GLU 124 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xja h GLU 124 Cb 1.34 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xja h GLU 124 CO 0.49 0.36 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 1xja h ALA 125 N 1.62 1.00 -0.01 2.92 0.00 -2.03 -3.22 119.26 119.54 1xja h ALA 125 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1xja h ALA 125 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xja h ALA 125 CO -0.25 0.00 -0.56 0.72 0.00 0.00 0.00 179.25 179.16 1xja n HIS 126 N -2.84 0.00 0.07 0.00 8.25 0.13 -4.60 115.22 116.22 1xja n HIS 126 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1xja n HIS 126 Cb 0.44 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 1xja n HIS 126 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1xja h GLN 127 N 1.17 -0.49 -0.93 -0.41 1.08 -1.05 -2.04 115.11 112.45 1xja h GLN 127 Ca 0.00 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.32 1xja h GLN 127 Cb 0.53 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 28.00 1xja h GLN 127 CO 0.00 -0.33 0.57 -1.00 -0.95 0.00 0.00 178.83 177.13 1xja h PRO 128 N -0.51 0.94 -0.36 1.46 0.13 -1.81 -0.75 132.00 131.10 1xja h PRO 128 Ca 0.06 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1xja h PRO 128 Cb 0.59 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1xja h PRO 128 CO -0.27 0.62 0.09 0.45 -0.23 0.00 0.00 178.00 178.66 1xja h HIS 129 N 0.97 0.60 -0.18 1.56 3.86 -1.76 0.15 115.15 120.35 1xja h HIS 129 Ca 0.43 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.52 1xja h HIS 129 Cb 0.33 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1xja h HIS 129 CO -0.02 0.60 -0.11 0.74 0.86 0.00 0.00 177.93 179.99 1xja h PHE 130 N 0.43 0.46 -0.73 2.45 0.04 -1.13 0.57 116.94 119.04 1xja h PHE 130 Ca 0.11 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1xja h PHE 130 Cb 0.29 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1xja h PHE 130 CO 0.01 0.72 0.37 0.77 -0.60 0.00 0.00 178.31 179.59 1xja h SER 131 N 0.06 0.91 -0.27 2.17 0.02 -1.10 0.27 113.55 115.62 1xja h SER 131 Ca 0.04 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1xja h SER 131 Cb 0.61 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1xja h SER 131 CO 0.03 0.76 -0.21 -0.78 -1.14 0.00 0.00 176.83 175.48 1xja h ASP 132 N 1.02 0.66 -0.12 3.07 3.58 -0.57 -2.31 116.42 121.75 1xja h ASP 132 Ca 0.25 -0.45 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 1xja h ASP 132 Cb 0.06 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1xja h ASP 132 CO -0.04 0.97 -0.19 0.25 -2.88 0.00 0.00 179.24 177.35 1xja h LEU 133 N 0.35 0.51 -0.91 2.28 6.46 -0.50 -2.31 115.31 121.18 1xja h LEU 133 Ca 0.05 -0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 1xja h LEU 133 Cb 0.76 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 1xja h LEU 133 CO 0.06 0.71 0.31 0.15 -0.62 0.00 0.00 178.44 179.04 1xja h PHE 134 N 0.47 1.11 -0.35 1.25 3.04 -0.32 -2.04 116.94 120.10 1xja h PHE 134 Ca 0.08 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1xja h PHE 134 Cb 0.59 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1xja h PHE 134 CO 0.02 0.84 0.09 0.78 -2.02 0.00 0.00 178.31 178.02 1xja h GLY 135 N 1.12 0.60 0.40 2.40 0.00 -0.97 -1.92 103.07 104.70 1xja h GLY 135 Ca 0.25 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.28 1xja h GLY 135 CO -0.02 0.35 0.02 1.46 0.00 0.00 0.00 176.54 178.34 1xja h GLN 136 N 0.41 0.12 -0.71 4.80 4.20 -1.03 0.13 115.11 123.03 1xja h GLN 136 Ca 0.11 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.93 1xja h GLN 136 Cb 0.29 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 1xja h GLN 136 CO 0.00 0.08 0.28 0.82 -0.67 0.00 0.00 178.83 179.34 1xja h ILE 137 N 0.12 0.71 0.16 2.54 2.04 -1.17 0.51 117.51 122.42 1xja h ILE 137 Ca 0.19 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1xja h ILE 137 Cb 0.26 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1xja h ILE 137 CO -0.30 0.08 -0.10 0.40 0.00 0.00 0.00 178.15 178.23 1xja h ILE 138 N 0.45 0.79 -0.97 -0.67 1.08 -0.07 0.36 117.51 118.48 1xja h ILE 138 Ca 0.37 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.88 1xja h ILE 138 Cb 0.52 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 35.00 1xja h ILE 138 CO -0.36 0.00 0.63 0.78 -0.69 0.00 0.00 178.15 178.51 1xja h ASN 139 N -0.25 1.05 0.09 1.72 -0.26 -0.05 -1.76 115.58 116.12 1xja h ASN 139 Ca -0.01 -0.01 -0.24 0.00 -0.56 0.00 0.00 56.30 55.48 1xja h ASN 139 Cb 0.21 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1xja h ASN 139 CO 0.01 0.72 -0.93 0.00 -1.06 0.00 0.00 177.43 176.17 1xja h ALA 140 N 1.40 0.28 0.00 -0.83 0.00 -0.73 -1.55 119.26 117.84 1xja h ALA 140 Ca 0.39 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xja h ALA 140 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xja h ALA 140 CO -0.12 0.73 0.00 0.78 0.00 0.00 0.00 179.25 180.64 1xja h GLY 141 N 0.76 0.00 -0.49 0.00 0.00 0.25 -1.49 103.07 102.10 1xja h GLY 141 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1xja h GLY 141 CO 0.18 0.00 -0.29 -1.06 0.00 0.00 0.00 176.54 175.37 1xja n GLN 142 N -2.83 2.08 -1.02 4.80 6.02 -0.71 -4.21 117.38 121.51 1xja n GLN 142 Ca -0.01 -0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 56.05 1xja n GLN 142 Cb 0.15 -1.14 0.14 0.00 1.02 0.00 0.00 30.24 30.41 1xja n GLN 142 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1xja s GLY 143 N -1.61 2.05 -0.00 1.08 0.00 -0.56 -4.93 107.32 103.35 1xja s GLY 143 Ca 0.09 0.79 0.21 0.00 0.00 0.00 0.00 44.72 45.81 1xja s GLY 143 CO 0.32 1.21 0.86 1.18 0.00 0.00 0.00 173.10 176.68 1xja n GLU 144 N -3.52 0.17 -1.39 2.90 1.02 -1.26 -4.81 120.64 113.74 1xja n GLU 144 Ca 0.13 -0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.90 1xja n GLU 144 Cb 0.51 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.52 1xja n GLU 144 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xja n GLY 145 N 1.48 -0.67 0.26 0.62 0.00 -1.26 -4.88 105.19 100.74 1xja n GLY 145 Ca 0.04 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.84 1xja n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xja h ARG 146 N -0.14 0.00 -0.10 1.61 2.43 -2.02 -2.84 114.38 113.32 1xja h ARG 146 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1xja h ARG 146 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1xja h ARG 146 CO 0.47 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.59 1xja n TYR 147 N -4.43 0.28 -0.15 2.20 4.01 -1.26 -4.72 117.16 113.09 1xja n TYR 147 Ca -0.03 -0.83 -0.11 0.00 -0.16 0.00 0.00 57.90 56.77 1xja n TYR 147 Cb 0.09 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1xja n TYR 147 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1xja h SER 148 N 0.64 0.85 -0.43 7.72 0.02 -1.77 -0.15 113.55 120.42 1xja h SER 148 Ca 0.00 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 1xja h SER 148 Cb 0.99 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1xja h SER 148 CO 0.06 1.01 0.10 -0.08 -1.14 0.00 0.00 176.83 176.78 1xja h GLU 149 N 0.67 0.69 -0.74 3.45 4.81 -1.80 0.60 114.58 122.26 1xja h GLU 149 Ca 0.11 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1xja h GLU 149 Cb 0.64 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1xja h GLU 149 CO 0.04 0.70 0.26 -0.07 -0.73 0.00 0.00 179.01 179.21 1xja h LEU 150 N 0.56 1.05 -0.84 1.64 3.38 -1.86 -0.06 115.31 119.18 1xja h LEU 150 Ca 0.13 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1xja h LEU 150 Cb 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xja h LEU 150 CO 0.00 0.96 -0.21 -0.07 0.09 0.00 0.00 178.44 179.21 1xja h LEU 151 N 1.09 0.63 -0.51 1.67 3.38 -0.70 -1.45 115.31 119.43 1xja h LEU 151 Ca 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xja h LEU 151 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1xja h LEU 151 CO -0.01 0.84 0.10 0.00 0.09 0.00 0.00 178.44 179.46 1xja h ALA 152 N 1.21 0.67 -0.63 1.53 0.00 -0.22 0.58 119.26 122.40 1xja h ALA 152 Ca 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xja h ALA 152 Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xja h ALA 152 CO 0.05 0.38 0.27 0.82 0.00 0.00 0.00 179.25 180.77 1xja h ILE 153 N 0.71 1.22 -0.25 0.00 1.08 -0.78 0.73 117.51 120.21 1xja h ILE 153 Ca 0.16 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1xja h ILE 153 Cb 0.36 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1xja h ILE 153 CO 0.01 0.27 0.01 -1.13 -0.69 0.00 0.00 178.15 176.61 1xja h ASN 154 N 0.90 0.43 -0.14 1.72 -1.24 -0.70 -1.38 115.58 115.18 1xja h ASN 154 Ca 0.22 -0.30 -0.08 0.00 0.71 0.00 0.00 56.30 56.84 1xja h ASN 154 Cb 0.15 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 1xja h ASN 154 CO -0.02 0.63 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.52 1xja h LEU 155 N 0.23 0.51 -0.64 0.34 3.38 -0.50 -0.79 115.31 117.84 1xja h LEU 155 Ca 0.07 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1xja h LEU 155 Cb 0.40 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xja h LEU 155 CO 0.01 0.69 0.05 0.25 0.09 0.00 0.00 178.44 179.54 1xja h LEU 156 N 0.48 1.07 -1.08 1.67 5.85 -0.70 -0.40 115.31 122.20 1xja h LEU 156 Ca 0.08 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1xja h LEU 156 Cb 0.55 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1xja h LEU 156 CO 0.04 1.09 0.18 -0.08 -0.34 0.00 0.00 178.44 179.32 1xja h GLU 157 N 1.01 0.83 -0.00 1.25 4.81 -0.67 -1.14 114.58 120.67 1xja h GLU 157 Ca 0.19 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xja h GLU 157 Cb 0.51 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1xja h GLU 157 CO 0.02 0.72 0.00 0.37 -0.73 0.00 0.00 179.01 179.39 1xja h GLN 158 N 0.81 0.01 -0.45 1.92 4.15 -0.46 -1.57 115.11 119.52 1xja h GLN 158 Ca 0.19 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.68 1xja h GLN 158 Cb 0.23 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 1xja h GLN 158 CO -0.01 0.20 0.08 1.25 -1.93 0.00 0.00 178.83 178.42 1xja h LEU 159 N -0.19 -0.02 -0.92 -2.39 6.46 -0.60 0.27 115.31 117.93 1xja h LEU 159 Ca 0.00 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1xja h LEU 159 Cb 0.20 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 1xja h LEU 159 CO -0.00 0.02 0.49 -0.07 -0.62 0.00 0.00 178.44 178.26 1xja h LEU 160 N 0.21 1.12 -0.67 2.25 3.38 -1.12 -1.57 115.31 118.91 1xja h LEU 160 Ca 0.22 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1xja h LEU 160 Cb 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xja h LEU 160 CO -0.30 0.90 -0.42 -0.07 0.09 0.00 0.00 178.44 178.64 1xja h LEU 161 N 1.26 0.57 -0.91 1.67 3.38 -0.21 -1.60 115.31 119.47 1xja h LEU 161 Ca 0.32 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1xja h LEU 161 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1xja h LEU 161 CO -0.05 0.93 0.16 0.03 0.09 0.00 0.00 178.44 179.60 1xja h ARG 162 N 0.44 0.96 -0.33 1.13 2.47 -0.09 0.58 114.38 119.56 1xja h ARG 162 Ca 0.03 -0.21 -0.06 0.00 -1.26 0.00 0.00 59.98 58.49 1xja h ARG 162 Cb 0.92 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1xja h ARG 162 CO 0.08 0.85 -0.04 -0.09 0.56 0.00 0.00 179.97 181.33 1xja h ARG 163 N 0.92 0.60 -0.17 0.04 2.43 -1.03 0.27 114.38 117.45 1xja h ARG 163 Ca 0.20 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xja h ARG 163 Cb 0.31 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1xja h ARG 163 CO -0.00 0.76 0.09 0.52 -1.51 0.00 0.00 179.97 179.83 1xja h MET 164 N 0.39 0.23 -0.76 0.20 2.86 -0.96 0.30 114.93 117.20 1xja h MET 164 Ca 0.09 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1xja h MET 164 Cb 0.51 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1xja h MET 164 CO 0.02 0.24 0.50 1.49 1.06 0.00 0.00 176.91 180.23 1xja h GLU 165 N 0.16 1.00 -0.22 1.72 4.57 -0.77 -0.10 114.58 120.94 1xja h GLU 165 Ca 0.06 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1xja h GLU 165 Cb 0.08 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1xja h GLU 165 CO -0.01 0.66 0.05 0.00 -1.18 0.00 0.00 179.01 178.53 1xja h ALA 166 N 1.28 0.30 -0.52 2.92 0.00 -0.07 -2.91 119.26 120.26 1xja h ALA 166 Ca 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xja h ALA 166 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xja h ALA 166 CO -0.06 -0.04 0.24 0.82 0.00 0.00 0.00 179.25 180.20 1xja h ILE 167 N 0.18 1.20 -0.38 0.00 1.08 -0.81 -2.42 117.51 116.37 1xja h ILE 167 Ca 0.07 -0.59 0.11 0.00 -0.39 0.00 0.00 64.86 64.06 1xja h ILE 167 Cb 0.30 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 1xja h ILE 167 CO 0.00 0.23 0.54 -1.13 -0.69 0.00 0.00 178.15 177.11 1xja h ASN 168 N 0.70 0.00 0.00 1.72 -0.00 -0.81 -2.73 115.58 114.45 1xja h ASN 168 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 1xja h ASN 168 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 1xja h ASN 168 CO -0.02 0.00 0.00 -1.84 -0.00 0.00 0.00 177.43 175.57 1xja n GLU 169 N -3.41 3.18 -0.54 6.67 0.28 -1.08 -5.04 120.64 120.68 1xja n GLU 169 Ca 0.07 -0.18 -0.23 0.00 -0.16 0.00 0.00 57.16 56.65 1xja n GLU 169 Cb 0.70 -0.64 0.21 0.00 1.43 0.00 0.00 31.44 33.14 1xja n GLU 169 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1xja n SER 170 N -0.51 -2.64 -3.49 -1.84 3.41 -0.93 -5.06 113.62 102.56 1xja n SER 170 Ca 0.00 -0.88 -0.15 0.00 -0.26 0.00 0.00 58.87 57.58 1xja n SER 170 Cb 0.01 -0.78 -0.01 0.00 -0.26 0.00 0.00 64.21 63.17 1xja n SER 170 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xja n LEU 171 N 0.00 0.00 0.00 1.04 -0.00 -1.26 -5.05 117.00 111.73 1xja n LEU 171 Ca 0.11 -1.60 0.00 0.00 -0.00 0.00 0.00 56.01 54.52 1xja n LEU 171 Cb 0.46 0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1xja n LEU 171 CO 0.31 -0.37 0.00 1.41 -0.00 0.00 0.00 177.39 178.75