#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xja s PRO 8 N 0.00 4.51 0.22 -0.67 0.04 -1.26 -4.52 135.00 133.32 1xja s PRO 8 Ca 0.00 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 1xja s PRO 8 Cb 0.00 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 1xja s PRO 8 CO 0.00 0.02 1.14 -0.51 0.04 0.00 0.00 177.00 177.69 1xja s LEU 9 N -1.34 4.49 -0.97 -3.56 1.43 -0.02 -3.66 118.68 115.05 1xja s LEU 9 Ca 0.48 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 1xja s LEU 9 Cb -0.35 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 1xja s LEU 9 CO 0.44 -0.26 0.71 -0.11 0.23 0.00 0.00 176.35 177.36 1xja n LEU 10 N 2.01 -3.16 -0.26 1.79 7.94 -1.26 -4.53 117.00 119.52 1xja n LEU 10 Ca 0.02 -0.83 0.22 0.00 -1.11 0.00 0.00 56.01 54.31 1xja n LEU 10 Cb 0.45 -2.29 0.41 0.00 0.53 0.00 0.00 43.42 42.52 1xja n LEU 10 CO 0.55 0.15 0.79 -0.81 -1.11 0.00 0.00 177.39 176.95 1xja n PRO 11 N -3.29 -0.05 0.00 1.96 -0.04 -1.24 -0.30 135.00 132.04 1xja n PRO 11 Ca -0.14 1.11 0.14 0.00 -0.04 0.00 0.00 63.50 64.56 1xja n PRO 11 Cb 0.60 -1.94 0.55 0.00 -0.04 0.00 0.00 33.50 32.67 1xja n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xja n GLY 12 N -1.25 -1.46 0.01 0.55 0.00 -1.26 -4.39 105.19 97.38 1xja n GLY 12 Ca 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1xja n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xja h TYR 13 N 0.00 0.00 -4.89 1.61 3.20 -0.94 -3.50 116.97 112.45 1xja h TYR 13 Ca 0.00 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.32 1xja h TYR 13 Cb 0.50 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.65 1xja h TYR 13 CO 0.00 0.00 -0.46 0.45 -1.64 0.00 0.00 178.16 176.51 1xja n SER 14 N -2.34 1.11 0.00 -2.11 2.88 -1.24 -5.05 113.62 106.88 1xja n SER 14 Ca -0.00 -3.15 0.11 0.00 -1.33 0.00 0.00 58.87 54.50 1xja n SER 14 Cb 0.01 1.06 0.02 0.00 -0.75 0.00 0.00 64.21 64.55 1xja n SER 14 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1xja n PHE 15 N -0.89 0.01 -1.70 0.66 -1.74 -1.26 -4.64 117.46 107.91 1xja n PHE 15 Ca -0.05 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.43 1xja n PHE 15 Cb 0.61 -0.12 0.00 0.00 1.52 0.00 0.00 39.48 41.49 1xja n PHE 15 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1xja n ASN 16 N -1.53 2.61 -0.05 5.98 3.02 -1.26 -4.61 115.26 119.42 1xja n ASN 16 Ca 0.04 1.15 -0.01 0.00 -0.03 0.00 0.00 54.58 55.73 1xja n ASN 16 Cb 0.34 -1.49 -0.13 0.00 -0.61 0.00 0.00 39.78 37.89 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 -0.00 2.05 -0.10 5.41 0.00 -1.26 -0.84 120.51 125.77 1xja n ALA 17 Ca 0.06 -0.79 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 1xja n ALA 17 Cb 0.38 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.39 0.00 -3.73 0.00 8.25 -1.26 -4.26 115.22 111.84 1xja n HIS 18 Ca -0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.16 1xja n HIS 18 Cb 0.78 -0.79 -0.14 0.00 1.12 0.00 0.00 29.99 30.96 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 -6.44 0.46 0.03 2.41 0.20 -1.26 -0.58 118.68 113.50 1xja s LEU 19 Ca -0.28 0.40 0.07 0.00 0.69 0.00 0.00 54.13 55.00 1xja s LEU 19 Cb 0.08 0.49 -0.02 0.00 -0.43 0.00 0.00 46.19 46.31 1xja s LEU 19 CO 0.45 -0.17 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.46 1xja s VAL 20 N 1.42 1.54 0.16 1.68 1.01 0.83 -4.89 120.40 122.15 1xja s VAL 20 Ca -0.07 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1xja s VAL 20 Cb -0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1xja s VAL 20 CO -0.07 0.22 0.13 0.00 0.00 0.00 0.00 175.10 175.38 1xja s ALA 21 N -0.73 0.77 0.02 5.51 0.00 -1.25 0.90 121.76 126.99 1xja s ALA 21 Ca 0.07 -1.42 -0.21 0.00 0.00 0.00 0.00 51.96 50.40 1xja s ALA 21 Cb -0.08 1.02 0.07 0.00 0.00 0.00 0.00 23.12 24.13 1xja s ALA 21 CO 0.01 -0.56 0.95 0.41 0.00 0.00 0.00 175.76 176.58 1xja n GLY 22 N -0.17 0.41 2.97 0.00 0.00 -0.64 -4.71 105.19 103.05 1xja n GLY 22 Ca -0.03 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 1xja n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xja s LEU 23 N 0.00 1.63 -0.40 0.99 2.96 -1.26 -1.73 118.68 120.88 1xja s LEU 23 Ca 0.22 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1xja s LEU 23 Cb -0.01 -0.56 0.11 0.00 0.50 0.00 0.00 46.19 46.23 1xja s LEU 23 CO 0.01 0.03 0.12 -0.89 -1.32 0.00 0.00 176.35 174.29 1xja s THR 24 N 0.48 2.28 -0.90 3.68 2.01 -0.06 -5.02 115.64 118.10 1xja s THR 24 Ca -0.08 -2.61 -0.18 0.00 0.31 0.00 0.00 61.69 59.13 1xja s THR 24 Cb -0.12 -2.65 0.14 0.00 0.01 0.00 0.00 72.50 69.88 1xja s THR 24 CO 0.01 -0.68 1.07 -2.16 -0.69 0.00 0.00 174.62 172.18 1xja s PRO 25 N 0.55 3.56 -0.03 4.92 0.04 -1.26 -2.12 135.00 140.66 1xja s PRO 25 Ca 0.13 -1.77 -0.27 0.00 0.04 0.00 0.00 61.00 59.13 1xja s PRO 25 Cb -0.21 -4.82 -0.03 0.00 0.04 0.00 0.00 34.50 29.47 1xja s PRO 25 CO -0.06 -1.72 0.83 0.42 0.04 0.00 0.00 177.00 176.51 1xja s ILE 26 N 2.51 4.95 -0.07 0.56 1.01 -0.38 -4.90 121.20 124.88 1xja s ILE 26 Ca 0.30 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.73 1xja s ILE 26 Cb -0.06 -4.18 0.01 0.00 0.01 0.00 0.00 42.46 38.24 1xja s ILE 26 CO -0.08 0.21 -0.17 -1.61 0.00 0.00 0.00 174.94 173.29 1xja s GLU 27 N 0.87 2.20 0.09 2.79 2.02 -1.26 -0.86 118.70 124.54 1xja s GLU 27 Ca 0.44 -0.61 -0.36 0.00 0.02 0.00 0.00 54.97 54.46 1xja s GLU 27 Cb -0.19 -1.75 -0.18 0.00 0.10 0.00 0.00 34.13 32.11 1xja s GLU 27 CO 0.23 0.12 1.12 0.00 0.02 0.00 0.00 175.26 176.75 1xja n ALA 28 N 3.61 -2.10 -2.11 5.21 0.00 -0.75 -0.17 120.51 124.20 1xja n ALA 28 Ca -0.21 0.53 -0.18 0.00 0.00 0.00 0.00 53.44 53.58 1xja n ALA 28 Cb 0.52 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 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 1.97 -5.18 -4.44 0.00 5.03 -1.26 -4.99 115.26 106.39 1xja n ASN 29 Ca 0.18 0.11 -0.18 0.00 0.87 0.00 0.00 54.58 55.56 1xja n ASN 29 Cb 0.17 -4.26 0.04 0.00 -1.02 0.00 0.00 39.78 34.71 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 -0.95 2.24 0.26 7.41 0.00 0.76 -4.95 105.19 109.94 1xja n GLY 30 Ca -0.20 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.65 1xja n GLY 30 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xja h VAL 31 N 0.27 1.04 -0.44 1.61 2.07 -1.94 -2.14 116.25 116.72 1xja h VAL 31 Ca -0.25 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1xja h VAL 31 Cb 1.05 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1xja h VAL 31 CO 0.37 0.05 0.00 0.18 0.02 0.00 0.00 177.57 178.19 1xja n LEU 32 N -4.49 3.38 -3.76 2.57 4.77 -1.26 -4.79 117.00 113.42 1xja n LEU 32 Ca -0.02 -1.50 -0.42 0.00 -0.03 0.00 0.00 56.01 54.03 1xja n LEU 32 Cb 0.12 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1xja n LEU 32 CO 0.35 0.75 2.66 -0.67 -1.33 0.00 0.00 177.39 179.15 1xja n ASP 33 N 1.42 3.91 -4.08 -1.43 2.03 -0.81 -4.83 116.55 112.76 1xja n ASP 33 Ca 0.20 -2.84 -0.10 0.00 0.52 0.00 0.00 54.79 52.56 1xja n ASP 33 Cb 0.58 -1.66 -0.08 0.00 -0.72 0.00 0.00 41.12 39.24 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 3.21 0.71 -0.18 -0.67 -0.71 -1.26 -4.80 117.98 114.27 1xja s PHE 34 Ca 0.47 -1.01 -0.11 0.00 -1.04 0.00 0.00 56.93 55.24 1xja s PHE 34 Cb 0.14 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 1xja s PHE 34 CO -0.08 -0.79 0.19 -0.06 -1.34 0.00 0.00 175.22 173.14 1xja s PHE 35 N -4.07 3.44 0.05 3.49 0.40 -1.26 -4.55 117.98 115.48 1xja s PHE 35 Ca 0.28 0.44 -0.18 0.00 -0.60 0.00 0.00 56.93 56.86 1xja s PHE 35 Cb 0.03 -2.21 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 1xja s PHE 35 CO 0.08 0.29 0.54 -1.50 0.70 0.00 0.00 175.22 175.33 1xja s ILE 36 N 0.33 4.81 -0.16 0.64 2.07 -0.74 -4.93 121.20 123.22 1xja s ILE 36 Ca 0.11 1.14 -0.01 0.00 -1.41 0.00 0.00 60.65 60.48 1xja s ILE 36 Cb -0.12 -3.86 0.05 0.00 0.13 0.00 0.00 42.46 38.66 1xja s ILE 36 CO 0.00 0.55 -0.01 -0.62 -1.91 0.00 0.00 174.94 172.96 1xja s ASP 37 N -1.06 2.61 -0.70 4.50 -1.08 -1.26 -2.48 116.67 117.20 1xja s ASP 37 Ca 0.28 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1xja s ASP 37 Cb -0.19 -0.71 0.17 0.00 -1.46 0.00 0.00 42.92 40.74 1xja s ASP 37 CO 0.18 -0.23 0.49 -0.13 0.52 0.00 0.00 175.17 176.00 1xja s ARG 38 N 1.78 2.49 0.25 4.34 0.52 0.13 -4.98 118.95 123.48 1xja s ARG 38 Ca 0.01 -3.24 -0.04 0.00 -0.52 0.00 0.00 55.73 51.94 1xja s ARG 38 Cb -0.15 -3.48 0.51 0.00 0.52 0.00 0.00 34.95 32.35 1xja s ARG 38 CO -0.07 -1.26 1.68 -1.00 0.02 0.00 0.00 175.30 174.67 1xja h PRO 39 N 5.63 0.26 -0.76 3.54 0.13 -1.94 -0.75 132.00 138.10 1xja h PRO 39 Ca 0.12 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.08 1xja h PRO 39 Cb 0.78 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.76 1xja h PRO 39 CO 0.73 0.17 0.19 1.28 -0.23 0.00 0.00 178.00 180.14 1xja n LEU 40 N -5.17 5.49 0.00 1.56 4.77 -1.26 -4.66 117.00 117.73 1xja n LEU 40 Ca 0.15 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 1xja n LEU 40 Cb 0.50 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1xja n LEU 40 CO 0.11 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1xja n GLY 41 N 0.04 0.83 3.48 -0.72 0.00 -0.32 -4.52 105.19 103.98 1xja n GLY 41 Ca 0.33 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 1.69 0.06 1.61 1.00 -1.26 -4.80 119.30 117.60 1xja s MET 42 Ca 0.00 -1.93 -0.16 0.00 0.00 0.00 0.00 55.69 53.61 1xja s MET 42 Cb 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 34.83 33.57 1xja s MET 42 CO 0.00 -0.12 1.21 1.57 0.00 0.00 0.00 175.02 177.68 1xja h LYS 43 N 2.08 0.63 0.00 2.03 -0.00 -1.95 0.18 116.57 119.53 1xja h LYS 43 Ca -0.41 -0.59 -0.25 0.00 -0.00 0.00 0.00 60.65 59.41 1xja h LYS 43 Cb 1.24 0.14 0.03 0.00 -0.00 0.00 0.00 32.23 33.65 1xja h LYS 43 CO 0.71 1.20 0.02 0.41 -0.00 0.00 0.00 179.45 181.79 1xja n GLY 44 N 0.88 1.20 3.84 0.07 0.00 -1.26 -4.57 105.19 105.35 1xja n GLY 44 Ca -0.09 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.25 3.63 -0.05 1.61 1.51 0.87 -3.81 117.35 119.86 1xja s TYR 45 Ca 0.34 1.02 0.06 0.00 -1.01 0.00 0.00 57.07 57.48 1xja s TYR 45 Cb -0.02 -2.34 -0.01 0.00 -0.11 0.00 0.00 41.96 39.48 1xja s TYR 45 CO 0.22 0.48 -0.23 0.42 -1.11 0.00 0.00 175.55 175.32 1xja s ILE 46 N -1.39 1.90 -0.10 2.71 1.09 -0.85 -0.64 121.20 123.92 1xja s ILE 46 Ca 0.35 -0.99 0.03 0.00 -1.10 0.00 0.00 60.65 58.95 1xja s ILE 46 Cb -0.15 -1.61 0.00 0.00 -1.06 0.00 0.00 42.46 39.64 1xja s ILE 46 CO 0.18 0.53 -0.22 -0.22 -0.10 0.00 0.00 174.94 175.12 1xja s LEU 47 N -0.17 2.00 -0.12 2.97 2.96 -0.37 -1.15 118.68 124.82 1xja s LEU 47 Ca -0.02 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1xja s LEU 47 Cb -0.13 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.27 1xja s LEU 47 CO 0.03 0.13 -0.15 0.21 -1.32 0.00 0.00 176.35 175.25 1xja s ASN 48 N 0.47 2.50 -0.15 3.68 3.84 -0.42 -1.32 114.94 123.53 1xja s ASN 48 Ca -0.17 -0.44 0.02 0.00 0.21 0.00 0.00 52.86 52.49 1xja s ASN 48 Cb -0.17 -1.10 0.01 0.00 -0.55 0.00 0.00 41.25 39.44 1xja s ASN 48 CO 0.07 -0.01 -0.21 -0.22 -2.79 0.00 0.00 177.10 173.93 1xja s LEU 49 N 1.16 2.09 -0.19 3.21 2.96 0.02 -1.02 118.68 126.93 1xja s LEU 49 Ca -0.03 -0.61 -0.25 0.00 -0.22 0.00 0.00 54.13 53.03 1xja s LEU 49 Cb -0.14 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1xja s LEU 49 CO -0.05 0.06 0.83 -0.89 -1.32 0.00 0.00 176.35 174.98 1xja s THR 50 N 0.95 4.87 -0.28 3.68 2.01 -1.14 -0.24 115.64 125.50 1xja s THR 50 Ca -0.04 1.61 0.14 0.00 0.31 0.00 0.00 61.69 63.71 1xja s THR 50 Cb -0.15 -4.13 -0.19 0.00 0.01 0.00 0.00 72.50 68.04 1xja s THR 50 CO -0.05 -0.00 0.42 2.30 -0.69 0.00 0.00 174.62 176.60 1xja n ILE 51 N 4.88 0.00 -3.62 1.82 -0.00 0.54 -0.71 119.36 122.27 1xja n ILE 51 Ca 0.05 -0.26 -0.15 0.00 -0.00 0.00 0.00 62.75 62.38 1xja n ILE 51 Cb 0.48 0.51 -0.07 0.00 -0.00 0.00 0.00 39.64 40.56 1xja n ILE 51 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1xja s ARG 52 N -2.70 0.84 2.84 6.28 3.52 -0.98 -4.88 118.95 123.87 1xja s ARG 52 Ca -0.01 0.53 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 1xja s ARG 52 Cb 0.10 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.88 1xja s ARG 52 CO 0.58 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.30 1xja n GLY 53 N 1.93 -0.43 3.16 8.12 0.00 -1.26 0.42 105.19 117.12 1xja n GLY 53 Ca -0.16 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 0.60 0.27 1.61 -0.21 -0.85 -4.07 119.66 117.02 1xja s GLN 54 Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 54.93 1xja s GLN 54 Cb 0.00 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 1xja s GLN 54 CO 0.00 -0.16 0.07 0.20 -2.12 0.00 0.00 175.29 173.27 1xja s GLY 55 N -1.70 1.80 -0.09 3.09 0.00 -0.96 -1.64 107.32 107.83 1xja s GLY 55 Ca -0.10 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 42.73 1xja s GLY 55 CO -0.00 -1.67 -0.11 0.54 0.00 0.00 0.00 173.10 171.85 1xja s VAL 56 N -3.55 1.16 -0.20 1.40 0.11 -0.43 -1.51 120.40 117.37 1xja s VAL 56 Ca 0.36 -0.45 -0.08 0.00 -2.93 0.00 0.00 61.98 58.87 1xja s VAL 56 Cb 0.08 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1xja s VAL 56 CO 0.13 0.37 0.09 -0.69 -3.33 0.00 0.00 175.10 171.68 1xja s VAL 57 N 1.05 4.97 0.01 2.04 1.01 0.22 -2.82 120.40 126.87 1xja s VAL 57 Ca -0.07 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1xja s VAL 57 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1xja s VAL 57 CO -0.01 0.42 -0.21 -1.59 0.00 0.00 0.00 175.10 173.71 1xja s LYS 58 N 0.64 2.10 -0.28 2.72 0.00 0.89 -0.13 119.74 125.68 1xja s LYS 58 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 55.97 55.08 1xja s LYS 58 Cb -0.13 -2.14 0.16 0.00 0.00 0.00 0.00 37.83 35.72 1xja s LYS 58 CO 0.01 0.56 0.43 1.21 0.00 0.00 0.00 175.35 177.55 1xja s ASN 59 N -1.03 0.06 -1.03 0.03 3.84 -0.13 -4.20 114.94 112.48 1xja s ASN 59 Ca 0.12 -0.04 -0.16 0.00 0.21 0.00 0.00 52.86 53.00 1xja s ASN 59 Cb -0.10 1.26 0.00 0.00 -0.55 0.00 0.00 41.25 41.86 1xja s ASN 59 CO 0.02 -0.32 0.73 0.00 -2.79 0.00 0.00 177.10 174.73 1xja n GLN 60 N 5.37 -1.16 0.00 0.43 6.02 -1.26 -1.53 117.38 125.25 1xja n GLN 60 Ca -0.01 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1xja n GLN 60 Cb 0.50 -3.72 0.00 0.00 1.02 0.00 0.00 30.24 28.04 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 -1.74 2.71 3.86 1.08 0.00 -1.26 -4.99 105.19 104.84 1xja n GLY 61 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 3.80 0.01 1.61 0.52 -0.58 -5.09 118.95 119.22 1xja s ARG 62 Ca 0.00 0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.48 1xja s ARG 62 Cb 0.00 -2.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1xja s ARG 62 CO 0.00 0.52 -0.12 -1.21 0.02 0.00 0.00 175.30 174.52 1xja s GLU 63 N -2.02 0.86 -0.01 3.54 2.02 -1.26 -0.96 118.70 120.87 1xja s GLU 63 Ca 0.35 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.83 1xja s GLU 63 Cb -0.14 -0.83 -0.00 0.00 0.10 0.00 0.00 34.13 33.26 1xja s GLU 63 CO 0.19 0.22 -0.09 0.12 0.02 0.00 0.00 175.26 175.72 1xja s PHE 64 N -0.55 0.79 -0.37 1.61 5.36 0.81 -4.94 117.98 120.70 1xja s PHE 64 Ca 0.02 -0.16 -0.12 0.00 -0.96 0.00 0.00 56.93 55.71 1xja s PHE 64 Cb -0.06 -0.52 0.01 0.00 -0.34 0.00 0.00 43.02 42.11 1xja s PHE 64 CO 0.00 -0.03 0.23 0.08 -1.46 0.00 0.00 175.22 174.04 1xja s VAL 65 N -0.13 4.89 0.03 3.12 1.01 -1.26 0.69 120.40 128.75 1xja s VAL 65 Ca 0.02 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1xja s VAL 65 Cb -0.04 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 1xja s VAL 65 CO -0.00 -0.16 0.52 0.00 0.00 0.00 0.00 175.10 175.46 1xja s ARG 67 N -0.92 1.79 -0.18 0.00 0.52 -1.26 -2.26 118.95 116.64 1xja s ARG 67 Ca 0.27 -1.96 -0.39 0.00 -0.52 0.00 0.00 55.73 53.14 1xja s ARG 67 Cb -0.18 -1.47 -0.15 0.00 0.52 0.00 0.00 34.95 33.67 1xja s ARG 67 CO 0.17 0.01 1.70 -2.30 0.02 0.00 0.00 175.30 174.90 1xja n PRO 68 N -0.80 1.33 0.00 3.54 -0.02 -1.26 -0.40 135.00 137.39 1xja n PRO 68 Ca -0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1xja n PRO 68 Cb 0.65 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.95 2.22 3.74 -1.23 0.00 0.11 -5.00 105.19 108.99 1xja n GLY 69 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.49 7.39 -0.14 1.61 1.01 0.46 -4.57 116.67 120.95 1xja s ASP 70 Ca 0.00 2.02 0.01 0.00 0.71 0.00 0.00 52.55 55.29 1xja s ASP 70 Cb 0.00 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 1xja s ASP 70 CO 0.00 -0.11 -0.18 -0.63 0.21 0.00 0.00 175.17 174.47 1xja s ILE 71 N -0.47 2.49 -0.05 0.77 1.01 0.14 -2.88 121.20 122.21 1xja s ILE 71 Ca 0.47 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1xja s ILE 71 Cb -0.28 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1xja s ILE 71 CO 0.34 0.53 -0.12 -0.76 0.00 0.00 0.00 174.94 174.93 1xja s LEU 72 N 0.71 2.87 -0.18 2.97 1.43 -0.18 -0.34 118.68 125.96 1xja s LEU 72 Ca -0.08 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1xja s LEU 72 Cb -0.16 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1xja s LEU 72 CO 0.01 0.35 -0.13 -0.22 0.23 0.00 0.00 176.35 176.59 1xja s LEU 73 N -0.78 2.54 -0.44 1.79 2.96 0.44 -1.30 118.68 123.89 1xja s LEU 73 Ca 0.12 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1xja s LEU 73 Cb -0.11 -1.60 0.12 0.00 0.50 0.00 0.00 46.19 45.10 1xja s LEU 73 CO 0.01 0.04 0.22 -0.36 -1.32 0.00 0.00 176.35 174.95 1xja s PHE 74 N 1.08 3.57 1.10 5.38 0.40 -0.30 0.08 117.98 129.29 1xja s PHE 74 Ca -0.00 -2.57 -0.14 0.00 -0.60 0.00 0.00 56.93 53.62 1xja s PHE 74 Cb -0.15 -3.17 0.24 0.00 0.51 0.00 0.00 43.02 40.45 1xja s PHE 74 CO -0.03 -0.94 1.07 -1.25 0.70 0.00 0.00 175.22 174.76 1xja s PRO 75 N 0.87 -0.40 0.30 0.24 0.04 -1.26 -2.00 135.00 132.78 1xja s PRO 75 Ca 0.10 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.31 1xja s PRO 75 Cb -0.22 -1.65 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1xja s PRO 75 CO -0.04 -3.28 1.31 -2.30 0.04 0.00 0.00 177.00 172.73 1xja n PRO 76 N -4.55 2.04 0.00 0.56 -0.02 -1.25 -2.26 135.00 129.52 1xja n PRO 76 Ca 0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1xja n PRO 76 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.32 2.72 3.75 -1.23 0.00 0.62 -4.91 105.19 107.46 1xja n GLY 77 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 3.08 0.30 1.61 2.56 -0.96 -3.84 118.70 121.46 1xja s GLU 78 Ca 0.00 2.04 -0.29 0.00 0.00 0.00 0.00 54.97 56.72 1xja s GLU 78 Cb 0.00 -2.13 -0.10 0.00 2.00 0.00 0.00 34.13 33.90 1xja s GLU 78 CO 0.00 -1.18 1.27 0.42 -0.56 0.00 0.00 175.26 175.22 1xja s ILE 79 N -1.42 2.91 -0.16 -3.70 1.01 -1.26 -3.49 121.20 115.09 1xja s ILE 79 Ca 0.74 0.89 0.01 0.00 0.00 0.00 0.00 60.65 62.29 1xja s ILE 79 Cb -0.36 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1xja s ILE 79 CO 0.41 0.20 -0.18 -1.00 0.00 0.00 0.00 174.94 174.37 1xja s HIS 80 N -0.97 2.75 -0.29 3.97 3.76 -1.02 -4.97 115.29 118.53 1xja s HIS 80 Ca 0.49 -1.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 1xja s HIS 80 Cb -0.38 -1.88 0.20 0.00 1.11 0.00 0.00 32.58 31.62 1xja s HIS 80 CO 0.49 -0.61 0.59 -1.58 -0.85 0.00 0.00 174.74 172.78 1xja s HIS 81 N 0.97 -1.83 0.16 1.40 5.04 -1.25 0.20 115.29 119.98 1xja s HIS 81 Ca -0.03 1.17 -0.23 0.00 -1.54 0.00 0.00 55.06 54.43 1xja s HIS 81 Cb -0.15 0.35 0.07 0.00 0.04 0.00 0.00 32.58 32.89 1xja s HIS 81 CO -0.04 -1.06 0.60 1.52 -2.34 0.00 0.00 174.74 173.43 1xja s TYR 82 N 2.83 -0.54 0.06 3.88 -0.85 -1.04 -0.08 117.35 121.62 1xja s TYR 82 Ca 0.12 0.33 -0.26 0.00 -0.52 0.00 0.00 57.07 56.74 1xja s TYR 82 Cb -0.11 0.56 0.09 0.00 0.38 0.00 0.00 41.96 42.88 1xja s TYR 82 CO -0.25 -0.85 1.19 0.20 -1.52 0.00 0.00 175.55 174.32 1xja s GLY 83 N -2.74 -0.02 0.28 5.49 0.00 -1.13 -1.79 107.32 107.41 1xja s GLY 83 Ca 0.01 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.30 1xja s GLY 83 CO -0.13 4.51 1.30 -2.13 0.00 0.00 0.00 173.10 176.66 1xja n ARG 84 N -0.83 1.93 -1.72 2.90 0.63 -1.26 -1.31 116.66 117.00 1xja n ARG 84 Ca 0.01 0.68 -0.42 0.00 -0.92 0.00 0.00 57.85 57.21 1xja n ARG 84 Cb 0.59 -2.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.20 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 -0.56 2.56 0.53 -0.14 5.65 -0.65 -4.59 115.29 118.09 1xja s HIS 85 Ca 0.63 0.17 0.37 0.00 0.25 0.00 0.00 55.06 56.48 1xja s HIS 85 Cb -0.64 -4.16 1.54 0.00 -1.18 0.00 0.00 32.58 28.14 1xja s HIS 85 CO 0.56 -4.59 1.76 -1.00 -0.65 0.00 0.00 174.74 170.82 1xja h PRO 86 N 7.62 0.03 -0.36 2.88 0.13 -1.91 0.29 132.00 140.68 1xja h PRO 86 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xja h PRO 86 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xja h PRO 86 CO 0.95 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 179.14 1xja n GLU 87 N -4.20 2.44 -3.72 0.86 1.02 -1.26 -4.94 120.64 110.85 1xja n GLU 87 Ca 0.29 -2.23 -0.32 0.00 -0.02 0.00 0.00 57.16 54.87 1xja n GLU 87 Cb 1.33 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 31.21 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 -1.47 3.83 -0.75 0.62 0.00 0.09 -4.99 121.76 119.10 1xja s ALA 88 Ca 0.37 -0.59 0.26 0.00 0.00 0.00 0.00 51.96 52.00 1xja s ALA 88 Cb 0.22 -2.08 0.89 0.00 0.00 0.00 0.00 23.12 22.15 1xja s ALA 88 CO 0.30 0.68 1.78 0.54 0.00 0.00 0.00 175.76 179.07 1xja n ARG 89 N 0.41 0.21 -3.75 0.00 1.74 -1.26 -4.79 116.66 109.22 1xja n ARG 89 Ca -0.05 0.21 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1xja n ARG 89 Cb 0.52 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 1xja n ARG 89 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1xja s GLU 90 N -3.11 1.15 -0.29 5.56 -1.05 -1.26 -1.81 118.70 117.88 1xja s GLU 90 Ca 0.10 -0.63 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 1xja s GLU 90 Cb 0.13 0.39 0.15 0.00 -0.44 0.00 0.00 34.13 34.36 1xja s GLU 90 CO 0.55 -0.53 0.38 -0.46 0.95 0.00 0.00 175.26 176.16 1xja s TRP 91 N -3.22 -0.86 -0.28 4.83 -0.00 -0.04 -2.00 118.94 117.38 1xja s TRP 91 Ca 0.13 0.23 -0.12 0.00 -0.00 0.00 0.00 56.10 56.34 1xja s TRP 91 Cb -0.01 -0.22 -0.05 0.00 -0.00 0.00 0.00 33.47 33.19 1xja s TRP 91 CO 0.02 -0.95 0.22 0.71 -0.00 0.00 0.00 176.95 176.95 1xja s TYR 92 N 2.50 3.22 0.01 5.86 1.51 0.17 -1.24 117.35 129.37 1xja s TYR 92 Ca 0.10 0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 1xja s TYR 92 Cb -0.13 -2.41 -0.01 0.00 -0.11 0.00 0.00 41.96 39.30 1xja s TYR 92 CO -0.30 -0.17 -0.02 -3.38 -1.11 0.00 0.00 175.55 170.57 1xja s HIS 93 N 1.81 0.17 -0.05 2.71 -3.43 -0.90 -0.34 115.29 115.26 1xja s HIS 93 Ca 0.08 -0.15 -0.02 0.00 -0.80 0.00 0.00 55.06 54.18 1xja s HIS 93 Cb -0.16 -0.11 -0.04 0.00 -1.43 0.00 0.00 32.58 30.84 1xja s HIS 93 CO 0.11 -0.04 0.06 -0.65 -2.00 0.00 0.00 174.74 172.21 1xja s GLN 94 N -0.40 3.08 0.07 -0.38 -0.21 0.67 -0.88 119.66 121.61 1xja s GLN 94 Ca -0.03 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 54.98 1xja s GLN 94 Cb -0.03 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 1xja s GLN 94 CO -0.00 0.69 -0.11 1.67 -2.12 0.00 0.00 175.29 175.42 1xja s TRP 95 N -1.05 0.99 -0.11 0.91 1.48 -0.70 -0.80 118.94 119.67 1xja s TRP 95 Ca 0.18 -0.52 -0.00 0.00 -1.06 0.00 0.00 56.10 54.70 1xja s TRP 95 Cb -0.12 -0.56 0.02 0.00 -1.16 0.00 0.00 33.47 31.65 1xja s TRP 95 CO 0.08 -0.00 -0.08 0.08 -4.06 0.00 0.00 176.95 172.97 1xja s VAL 96 N -1.56 1.00 -0.24 -0.66 1.01 -0.43 -1.61 120.40 117.91 1xja s VAL 96 Ca -0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1xja s VAL 96 Cb -0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1xja s VAL 96 CO 0.01 0.36 0.00 -0.47 0.00 0.00 0.00 175.10 175.00 1xja s TYR 97 N 1.61 3.02 0.20 5.22 5.04 0.26 -1.23 117.35 131.47 1xja s TYR 97 Ca 0.03 -0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 53.79 1xja s TYR 97 Cb -0.13 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 39.99 1xja s TYR 97 CO -0.07 -0.51 0.20 -0.59 -1.34 0.00 0.00 175.55 173.24 1xja s PHE 98 N 1.51 0.91 -0.21 4.97 -0.71 0.19 -0.12 117.98 124.52 1xja s PHE 98 Ca 0.05 -1.19 -0.02 0.00 -1.04 0.00 0.00 56.93 54.74 1xja s PHE 98 Cb -0.15 -0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.30 1xja s PHE 98 CO -0.01 -0.70 -0.11 0.50 -1.34 0.00 0.00 175.22 173.57 1xja s ARG 99 N -4.10 3.13 0.65 1.99 6.06 0.26 -0.09 118.95 126.84 1xja s ARG 99 Ca 0.32 -0.77 -0.12 0.00 -2.50 0.00 0.00 55.73 52.66 1xja s ARG 99 Cb 0.05 -2.84 -0.02 0.00 0.06 0.00 0.00 34.95 32.21 1xja s ARG 99 CO 0.09 -0.24 1.05 -1.25 -2.50 0.00 0.00 175.30 172.45 1xja s PRO 100 N 1.38 3.19 0.43 5.12 0.04 -1.26 -4.83 135.00 139.06 1xja s PRO 100 Ca 0.04 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1xja s PRO 100 Cb -0.14 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 1xja s PRO 100 CO -0.07 -0.90 1.04 1.03 0.04 0.00 0.00 177.00 178.13 1xja s ARG 101 N -4.74 4.05 0.24 4.56 0.52 -1.26 -4.94 118.95 117.39 1xja s ARG 101 Ca 0.59 1.43 -0.11 0.00 -0.52 0.00 0.00 55.73 57.12 1xja s ARG 101 Cb -0.14 -2.37 0.34 0.00 0.52 0.00 0.00 34.95 33.31 1xja s ARG 101 CO 0.48 -0.22 1.61 0.00 0.02 0.00 0.00 175.30 177.19 1xja h ALA 102 N 2.15 0.56 0.00 2.13 0.00 -2.05 -1.15 119.26 120.89 1xja h ALA 102 Ca -0.49 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xja h ALA 102 Cb 1.21 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1xja h ALA 102 CO 0.61 -0.42 0.00 2.48 0.00 0.00 0.00 179.25 181.93 1xja n TYR 103 N -5.48 0.00 0.33 0.00 0.18 -1.26 -3.35 117.16 107.58 1xja n TYR 103 Ca 0.11 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.01 1xja n TYR 103 Cb 0.41 0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.53 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 0.00 0.00 -0.72 -3.48 4.06 -1.58 -3.40 115.95 110.83 1xja h TRP 104 Ca 0.00 0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.09 1xja h TRP 104 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 1xja h TRP 104 CO 0.00 0.00 -0.24 0.45 -3.56 0.00 0.00 178.44 175.09 1xja h HIS 105 N 0.00 -0.59 -0.13 0.49 3.86 -1.73 0.59 115.15 117.64 1xja h HIS 105 Ca 0.00 0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1xja h HIS 105 Cb 0.90 0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1xja h HIS 105 CO 0.00 -0.34 0.13 0.93 0.86 0.00 0.00 177.93 179.50 1xja h GLU 106 N -0.05 0.00 -0.02 2.45 3.07 -1.89 0.22 114.58 118.36 1xja h GLU 106 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1xja h GLU 106 Cb 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1xja h GLU 106 CO -0.76 0.00 0.00 0.91 -1.40 0.00 0.00 179.01 177.76 1xja n TRP 107 N -4.01 0.02 -0.80 4.33 8.01 0.20 -3.73 117.44 121.46 1xja n TRP 107 Ca 0.00 -0.01 0.08 0.00 -1.31 0.00 0.00 57.50 56.26 1xja n TRP 107 Cb 0.24 0.00 0.21 0.00 -2.01 0.00 0.00 31.31 29.75 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 0.03 3.36 -4.24 -0.99 4.77 0.06 -4.83 117.00 115.16 1xja n LEU 108 Ca 0.19 -2.78 -0.42 0.00 -0.03 0.00 0.00 56.01 52.98 1xja n LEU 108 Cb 0.32 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1xja n LEU 108 CO 0.16 0.68 0.66 -3.20 -1.33 0.00 0.00 177.39 174.36 1xja n ASN 109 N -0.46 5.14 -4.90 -1.43 4.05 -1.22 -5.05 115.26 111.39 1xja n ASN 109 Ca 0.17 -3.10 -0.29 0.00 0.45 0.00 0.00 54.58 51.82 1xja n ASN 109 Cb 0.73 -1.26 -0.03 0.00 1.23 0.00 0.00 39.78 40.45 1xja n ASN 109 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1xja s TRP 110 N -1.43 3.47 0.37 1.20 0.52 -1.26 -5.05 118.94 116.76 1xja s TRP 110 Ca 0.30 0.68 -0.27 0.00 0.02 0.00 0.00 56.10 56.83 1xja s TRP 110 Cb -0.08 -2.13 -0.09 0.00 -1.15 0.00 0.00 33.47 30.01 1xja s TRP 110 CO -0.08 0.18 1.29 -2.14 0.02 0.00 0.00 176.95 176.22 1xja s PRO 111 N -3.46 4.13 0.20 4.98 0.02 -1.26 -4.72 135.00 134.88 1xja s PRO 111 Ca 0.45 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.60 1xja s PRO 111 Cb -0.11 -2.88 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 1xja s PRO 111 CO 0.29 -0.35 0.41 -1.54 -0.33 0.00 0.00 177.00 175.47 1xja s SER 112 N -0.66 6.42 0.15 2.53 1.04 -1.26 -2.11 113.70 119.81 1xja s SER 112 Ca 0.54 0.49 0.18 0.00 0.48 0.00 0.00 55.95 57.64 1xja s SER 112 Cb -0.38 -2.05 -0.05 0.00 0.10 0.00 0.00 66.02 63.64 1xja s SER 112 CO 0.50 -0.04 1.01 0.16 0.98 0.00 0.00 173.24 175.85 1xja h ILE 113 N 1.66 0.41 -1.03 -1.02 3.07 -1.55 -3.48 117.51 115.57 1xja h ILE 113 Ca -0.47 -1.74 0.26 0.00 1.55 0.00 0.00 64.86 64.45 1xja h ILE 113 Cb 1.18 1.96 -0.27 0.00 -0.27 0.00 0.00 36.82 39.42 1xja h ILE 113 CO 0.69 0.23 0.98 0.72 -1.05 0.00 0.00 178.15 179.72 1xja s PHE 114 N -3.05 -0.02 0.00 0.16 -0.12 -1.26 -5.06 117.98 108.63 1xja s PHE 114 Ca -0.01 0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1xja s PHE 114 Cb 0.09 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.97 1xja s PHE 114 CO 0.79 -0.02 0.00 0.00 -0.05 0.00 0.00 175.22 175.94 1xja n ALA 115 N 0.48 0.00 -2.43 1.99 0.00 -1.26 -1.88 120.51 117.40 1xja n ALA 115 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1xja n ALA 115 Cb 0.59 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 7.64 2.81 -4.56 0.00 4.05 -1.26 -4.85 115.26 119.09 1xja n ASN 116 Ca 0.00 -2.78 -0.40 0.00 0.45 0.00 0.00 54.58 51.84 1xja n ASN 116 Cb 0.00 -0.42 -0.09 0.00 1.23 0.00 0.00 39.78 40.50 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 -3.80 5.15 0.52 -0.44 2.01 -0.79 -4.36 115.64 113.93 1xja s THR 117 Ca 0.37 0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.47 1xja s THR 117 Cb 0.36 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 69.00 1xja s THR 117 CO -0.02 -0.04 0.94 -0.83 -0.69 0.00 0.00 174.62 173.97 1xja s GLY 118 N 1.72 1.89 -0.04 4.40 0.00 0.11 -1.39 107.32 114.02 1xja s GLY 118 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 1xja s GLY 118 CO 0.11 0.22 0.09 -0.12 0.00 0.00 0.00 173.10 173.41 1xja s PHE 119 N -2.72 -0.10 -0.12 1.90 2.19 -0.90 -0.42 117.98 117.81 1xja s PHE 119 Ca 0.55 0.26 -0.07 0.00 0.33 0.00 0.00 56.93 58.01 1xja s PHE 119 Cb -0.10 0.01 0.05 0.00 -1.31 0.00 0.00 43.02 41.67 1xja s PHE 119 CO 0.38 -0.06 0.29 0.12 1.83 0.00 0.00 175.22 177.78 1xja s PHE 120 N 0.19 -0.38 -0.20 10.12 5.36 0.54 -4.58 117.98 129.03 1xja s PHE 120 Ca -0.01 0.89 -0.03 0.00 -0.96 0.00 0.00 56.93 56.82 1xja s PHE 120 Cb -0.02 0.10 0.06 0.00 -0.34 0.00 0.00 43.02 42.82 1xja s PHE 120 CO -0.01 -0.24 0.04 0.50 -1.46 0.00 0.00 175.22 174.05 1xja s ARG 121 N 1.14 0.64 0.83 10.12 3.52 -1.26 -0.68 118.95 133.26 1xja s ARG 121 Ca -0.08 -0.43 -0.11 0.00 -0.13 0.00 0.00 55.73 54.98 1xja s ARG 121 Cb -0.09 -2.10 0.10 0.00 -1.56 0.00 0.00 34.95 31.29 1xja s ARG 121 CO -0.08 -0.65 1.14 -2.14 -0.81 0.00 0.00 175.30 172.75 1xja s PRO 122 N 1.86 1.65 0.52 5.12 0.02 -1.26 -4.93 135.00 137.98 1xja s PRO 122 Ca -0.01 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.25 1xja s PRO 122 Cb -0.17 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 1xja s PRO 122 CO -0.08 -2.14 1.15 -3.47 -0.33 0.00 0.00 177.00 172.13 1xja n ASP 123 N -3.71 1.79 -0.31 2.53 -0.08 -1.26 -4.68 116.55 110.84 1xja n ASP 123 Ca 0.11 0.96 0.27 0.00 -1.51 0.00 0.00 54.79 54.62 1xja n ASP 123 Cb 0.52 -1.46 0.60 0.00 2.34 0.00 0.00 41.12 43.12 1xja n ASP 123 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1xja h GLU 124 N 1.27 0.23 0.00 -0.67 4.39 -2.01 0.12 114.58 117.90 1xja h GLU 124 Ca -0.48 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1xja h GLU 124 Cb 1.33 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1xja h GLU 124 CO 0.55 0.15 0.00 0.00 -1.16 0.00 0.00 179.01 178.56 1xja h ALA 125 N 1.55 1.00 -0.02 3.43 0.00 -2.03 -3.03 119.26 120.16 1xja h ALA 125 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1xja h ALA 125 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1xja h ALA 125 CO -0.18 0.00 -0.24 0.72 0.00 0.00 0.00 179.25 179.55 1xja n HIS 126 N -2.66 0.00 0.05 0.00 8.25 0.37 -4.58 115.22 116.64 1xja n HIS 126 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1xja n HIS 126 Cb 0.36 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 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 2.54 -0.48 -0.75 -0.41 1.08 -1.30 -1.34 115.11 114.44 1xja h GLN 127 Ca 0.00 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 1xja h GLN 127 Cb 0.66 0.11 -0.08 0.00 -0.05 0.00 0.00 27.48 28.12 1xja h GLN 127 CO 0.00 -0.32 0.39 -1.00 -0.95 0.00 0.00 178.83 176.95 1xja h PRO 128 N -0.50 0.62 0.04 1.46 0.13 -1.81 0.45 132.00 132.39 1xja h PRO 128 Ca 0.06 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1xja h PRO 128 Cb 0.60 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1xja h PRO 128 CO -0.31 0.41 -0.09 0.45 -0.23 0.00 0.00 178.00 178.23 1xja h HIS 129 N 0.64 -0.22 -0.52 1.56 3.86 -1.72 0.01 115.15 118.76 1xja h HIS 129 Ca 0.38 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.55 1xja h HIS 129 Cb 0.41 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 1xja h HIS 129 CO -0.10 -0.14 0.16 0.74 0.86 0.00 0.00 177.93 179.45 1xja h PHE 130 N -0.17 0.83 -0.29 2.45 0.04 -0.81 -0.92 116.94 118.08 1xja h PHE 130 Ca 0.02 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.61 1xja h PHE 130 Cb 0.19 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1xja h PHE 130 CO -0.14 0.72 -0.24 0.77 -0.60 0.00 0.00 178.31 178.82 1xja h SER 131 N 0.71 0.55 0.09 2.17 0.02 -0.82 0.02 113.55 116.29 1xja h SER 131 Ca 0.17 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1xja h SER 131 Cb 0.28 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xja h SER 131 CO -0.00 0.79 -0.04 -0.78 -1.14 0.00 0.00 176.83 175.65 1xja h ASP 132 N 0.49 -0.11 -0.36 3.07 3.58 -0.80 -0.89 116.42 121.40 1xja h ASP 132 Ca 0.07 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 1xja h ASP 132 Cb 0.68 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 1xja h ASP 132 CO 0.05 0.11 0.20 0.25 -2.88 0.00 0.00 179.24 176.98 1xja h LEU 133 N -0.33 0.47 -0.46 2.28 7.12 -1.00 -1.56 115.31 121.83 1xja h LEU 133 Ca -0.01 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 57.87 1xja h LEU 133 Cb 0.27 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1xja h LEU 133 CO 0.02 0.39 -0.09 0.15 -0.13 0.00 0.00 178.44 178.78 1xja h PHE 134 N 0.54 0.99 -0.21 1.25 3.04 -0.65 -2.42 116.94 119.47 1xja h PHE 134 Ca 0.14 -0.21 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 1xja h PHE 134 Cb 0.03 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1xja h PHE 134 CO 0.00 0.96 -0.01 0.78 -2.02 0.00 0.00 178.31 178.03 1xja h GLY 135 N 0.72 0.32 1.72 2.40 0.00 -0.23 -1.71 103.07 106.29 1xja h GLY 135 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1xja h GLY 135 CO 0.04 0.16 -0.23 1.46 0.00 0.00 0.00 176.54 177.97 1xja h GLN 136 N 0.30 0.33 -0.57 4.80 4.20 -0.88 -1.30 115.11 121.99 1xja h GLN 136 Ca 0.07 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1xja h GLN 136 Cb 0.22 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1xja h GLN 136 CO 0.01 0.55 0.01 0.82 -0.67 0.00 0.00 178.83 179.54 1xja h ILE 137 N 0.30 1.26 -0.53 2.54 2.04 -0.97 -1.78 117.51 120.38 1xja h ILE 137 Ca 0.05 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 1xja h ILE 137 Cb 0.57 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1xja h ILE 137 CO 0.04 0.40 0.14 0.40 0.00 0.00 0.00 178.15 179.13 1xja h ILE 138 N 0.89 1.24 -0.44 -0.67 1.08 -0.93 0.36 117.51 119.04 1xja h ILE 138 Ca 0.16 -0.84 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 1xja h ILE 138 Cb 0.54 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1xja h ILE 138 CO 0.03 0.31 0.05 0.78 -0.69 0.00 0.00 178.15 178.63 1xja h ASN 139 N 0.74 0.73 0.14 1.72 -0.26 -1.08 -2.81 115.58 114.75 1xja h ASN 139 Ca 0.17 -0.28 -0.17 0.00 -0.56 0.00 0.00 56.30 55.46 1xja h ASN 139 Cb 0.32 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1xja h ASN 139 CO -0.00 0.82 -0.65 0.00 -1.06 0.00 0.00 177.43 176.54 1xja h ALA 140 N 0.93 0.64 0.00 -0.83 0.00 -1.23 -2.41 119.26 116.36 1xja h ALA 140 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xja h ALA 140 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xja h ALA 140 CO 0.01 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1xja n GLY 141 N 0.42 -0.83 0.00 0.00 0.00 0.11 -3.00 105.19 101.88 1xja n GLY 141 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1xja n GLY 141 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xja n GLN 142 N -1.16 2.21 -1.92 1.61 6.02 -1.07 -3.79 117.38 119.27 1xja n GLN 142 Ca 0.12 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 1xja n GLN 142 Cb 0.12 -0.88 0.12 0.00 1.02 0.00 0.00 30.24 30.62 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 -1.85 1.65 -0.34 1.08 0.00 -0.92 -5.04 107.32 101.91 1xja s GLY 143 Ca -0.00 -0.83 0.16 0.00 0.00 0.00 0.00 44.72 44.05 1xja s GLY 143 CO 0.07 -0.26 1.00 -1.84 0.00 0.00 0.00 173.10 172.07 1xja n GLU 144 N -3.43 1.13 -1.83 2.90 0.28 -1.26 -4.77 120.64 113.66 1xja n GLU 144 Ca 0.10 -3.01 -0.29 0.00 -0.16 0.00 0.00 57.16 53.80 1xja n GLU 144 Cb 0.61 -1.08 0.15 0.00 1.43 0.00 0.00 31.44 32.54 1xja n GLU 144 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1xja s GLY 145 N -2.72 1.67 0.37 -1.84 0.00 -1.26 -4.93 107.32 98.61 1xja s GLY 145 Ca 0.27 -0.90 0.27 0.00 0.00 0.00 0.00 44.72 44.37 1xja s GLY 145 CO 0.01 -0.25 1.80 0.07 0.00 0.00 0.00 173.10 174.72 1xja h ARG 146 N -1.45 0.00 -0.02 2.90 0.11 -2.03 -3.14 114.38 110.74 1xja h ARG 146 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1xja h ARG 146 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1xja h ARG 146 CO 0.51 0.00 -0.06 0.66 0.10 0.00 0.00 179.97 181.19 1xja n TYR 147 N -2.62 0.00 0.08 4.08 4.01 -1.26 -4.59 117.16 116.86 1xja n TYR 147 Ca 0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1xja n TYR 147 Cb 0.32 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.64 1xja n TYR 147 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xja h SER 148 N 3.51 0.31 -0.30 7.72 4.64 -1.82 -0.73 113.55 126.88 1xja h SER 148 Ca 0.00 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 1xja h SER 148 Cb 0.77 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1xja h SER 148 CO 0.00 0.55 -0.36 -0.08 -0.87 0.00 0.00 176.83 176.06 1xja h GLU 149 N 0.29 0.84 0.00 4.77 4.81 -1.81 -0.47 114.58 122.99 1xja h GLU 149 Ca 0.05 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1xja h GLU 149 Cb 0.56 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1xja h GLU 149 CO 0.04 1.06 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.87 1xja h LEU 150 N 0.69 0.00 0.05 1.64 3.38 -1.79 -0.52 115.31 118.76 1xja h LEU 150 Ca 0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 1xja h LEU 150 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1xja h LEU 150 CO 0.09 0.44 -1.17 0.25 0.09 0.00 0.00 178.44 178.13 1xja h LEU 151 N 0.00 0.42 -0.40 1.67 5.85 -0.97 -2.33 115.31 119.55 1xja h LEU 151 Ca -0.00 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1xja h LEU 151 Cb 0.83 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1xja h LEU 151 CO 0.06 1.30 0.15 0.00 -0.34 0.00 0.00 178.44 179.61 1xja h ALA 152 N 0.64 0.52 -0.87 1.25 0.00 -0.75 -0.84 119.26 119.21 1xja h ALA 152 Ca -0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xja h ALA 152 Cb 1.88 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1xja h ALA 152 CO 0.19 0.14 0.53 0.82 0.00 0.00 0.00 179.25 180.93 1xja h ILE 153 N 0.50 1.24 -0.62 0.00 1.08 -1.10 -0.71 117.51 117.90 1xja h ILE 153 Ca 0.13 -0.52 -0.09 0.00 -0.39 0.00 0.00 64.86 63.99 1xja h ILE 153 Cb 0.21 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 1xja h ILE 153 CO -0.01 0.25 0.02 -1.13 -0.69 0.00 0.00 178.15 176.59 1xja h ASN 154 N 1.20 1.06 0.46 1.72 -1.24 -1.06 -1.06 115.58 116.65 1xja h ASN 154 Ca 0.31 -0.30 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 1xja h ASN 154 Cb -0.06 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 1xja h ASN 154 CO -0.06 1.09 -0.73 -0.07 -1.29 0.00 0.00 177.43 176.37 1xja h LEU 155 N 0.98 0.27 0.14 0.34 3.38 -0.78 -1.22 115.31 118.42 1xja h LEU 155 Ca 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xja h LEU 155 Cb 0.54 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xja h LEU 155 CO 0.03 0.91 -0.07 0.25 0.09 0.00 0.00 178.44 179.65 1xja h LEU 156 N 0.15 -0.15 -1.20 1.67 5.85 -1.00 -1.19 115.31 119.45 1xja h LEU 156 Ca -0.02 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.63 1xja h LEU 156 Cb 1.30 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 1xja h LEU 156 CO 0.11 0.11 0.59 -0.08 -0.34 0.00 0.00 178.44 178.83 1xja h GLU 157 N -0.42 0.78 -0.67 1.25 4.81 -1.09 0.31 114.58 119.54 1xja h GLU 157 Ca -0.02 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1xja h GLU 157 Cb 0.34 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1xja h GLU 157 CO 0.03 0.51 0.09 0.37 -0.73 0.00 0.00 179.01 179.29 1xja h GLN 158 N 0.80 1.11 -0.11 1.92 4.15 -0.87 -1.10 115.11 121.01 1xja h GLN 158 Ca 0.46 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1xja h GLN 158 Cb 0.62 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1xja h GLN 158 CO -0.22 1.02 0.06 1.25 -1.93 0.00 0.00 178.83 179.01 1xja h LEU 159 N 1.03 0.14 -0.51 -2.39 5.85 0.25 -0.41 115.31 119.27 1xja h LEU 159 Ca 0.20 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1xja h LEU 159 Cb 0.46 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1xja h LEU 159 CO 0.02 0.18 0.28 -0.07 -0.34 0.00 0.00 178.44 178.50 1xja h LEU 160 N 0.09 0.42 -0.77 2.25 3.38 -0.98 -1.89 115.31 117.81 1xja h LEU 160 Ca 0.04 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1xja h LEU 160 Cb 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1xja h LEU 160 CO -0.01 0.30 0.09 -0.07 0.09 0.00 0.00 178.44 178.84 1xja h LEU 161 N 0.55 0.98 -0.83 1.67 3.38 -0.95 -2.04 115.31 118.07 1xja h LEU 161 Ca 0.21 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1xja h LEU 161 Cb 0.08 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1xja h LEU 161 CO -0.13 0.98 0.53 0.03 0.09 0.00 0.00 178.44 179.95 1xja h ARG 162 N 0.97 0.99 0.07 1.13 2.47 -0.69 -1.46 114.38 117.85 1xja h ARG 162 Ca 0.19 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1xja h ARG 162 Cb 0.43 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1xja h ARG 162 CO 0.01 0.65 -0.03 -0.09 0.56 0.00 0.00 179.97 181.07 1xja h ARG 163 N 1.02 -0.09 -0.41 0.04 2.43 -1.00 -0.29 114.38 116.08 1xja h ARG 163 Ca 0.34 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 1xja h ARG 163 Cb 0.03 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 1xja h ARG 163 CO -0.12 0.02 -0.08 0.52 -1.51 0.00 0.00 179.97 178.79 1xja h MET 164 N -0.18 0.02 0.00 0.20 2.86 -0.82 0.21 114.93 117.22 1xja h MET 164 Ca -0.01 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 1xja h MET 164 Cb 0.15 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1xja h MET 164 CO 0.02 0.01 -0.56 1.49 1.06 0.00 0.00 176.91 178.93 1xja h GLU 165 N 0.02 0.00 -0.09 1.72 4.81 -1.16 -0.44 114.58 119.44 1xja h GLU 165 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1xja h GLU 165 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1xja h GLU 165 CO -0.41 0.56 0.03 0.00 -0.73 0.00 0.00 179.01 178.46 1xja h ALA 166 N 1.44 0.12 -0.28 2.92 0.00 0.19 -3.11 119.26 120.54 1xja h ALA 166 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xja h ALA 166 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xja h ALA 166 CO 0.07 -0.27 0.00 0.44 0.00 0.00 0.00 179.25 179.49 1xja n ILE 167 N -4.91 0.37 -1.44 0.00 -5.35 -0.06 -4.94 119.36 103.03 1xja n ILE 167 Ca -0.06 -0.50 -0.48 0.00 -0.27 0.00 0.00 62.75 61.44 1xja n ILE 167 Cb 0.13 0.50 -0.09 0.00 -1.74 0.00 0.00 39.64 38.44 1xja n ILE 167 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xja n ASN 168 N 0.71 1.64 0.09 7.28 5.15 -0.18 -4.79 115.26 125.16 1xja n ASN 168 Ca 0.17 0.27 0.08 0.00 -0.60 0.00 0.00 54.58 54.50 1xja n ASN 168 Cb 0.40 -1.20 0.38 0.00 -0.53 0.00 0.00 39.78 38.84 1xja n ASN 168 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1xja n GLU 169 N 8.28 0.10 0.31 1.20 2.13 -1.26 -2.51 120.64 128.89 1xja n GLU 169 Ca 0.47 0.51 0.21 0.00 0.66 0.00 0.00 57.16 59.00 1xja n GLU 169 Cb 0.20 -1.76 1.08 0.00 0.27 0.00 0.00 31.44 31.23 1xja n GLU 169 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1xja h SER 170 N 0.00 0.00 -0.51 4.31 0.02 -1.98 -0.59 113.55 114.80 1xja h SER 170 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xja h SER 170 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1xja h SER 170 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1xja n LEU 171 N -2.98 4.61 -2.58 5.07 4.32 -1.04 -4.29 117.00 120.11 1xja n LEU 171 Ca -0.02 -2.65 -0.13 0.00 -0.02 0.00 0.00 56.01 53.18 1xja n LEU 171 Cb 0.10 -0.56 0.03 0.00 -1.62 0.00 0.00 43.42 41.36 1xja n LEU 171 CO 0.20 0.73 0.01 1.41 -1.22 0.00 0.00 177.39 178.52 1xja n HIS 172 N 0.55 1.91 -1.71 -1.77 -0.00 -0.23 -5.11 115.22 108.85 1xja n HIS 172 Ca 0.24 -2.69 -0.35 0.00 -0.00 0.00 0.00 57.72 54.92 1xja n HIS 172 Cb 0.92 -0.27 0.06 0.00 -0.00 0.00 0.00 29.99 30.70 1xja n HIS 172 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1xja s PRO 173 N -3.41 2.56 0.00 -0.41 0.02 -1.25 -5.03 135.00 127.48 1xja s PRO 173 Ca 0.35 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1xja s PRO 173 Cb 0.41 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 33.05 1xja s PRO 173 CO -0.03 -1.51 0.00 -2.30 -0.33 0.00 0.00 177.00 172.82 1xja n PRO 174 N -2.19 -0.28 0.00 5.54 -0.02 -1.26 -5.17 135.00 131.62 1xja n PRO 174 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1xja n PRO 174 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1xja n PRO 174 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15