#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xja n ASN 16 N 0.00 -0.74 -0.50 -2.13 4.13 -1.26 -4.94 115.26 109.81 1xja n ASN 16 Ca 0.00 0.70 0.06 0.00 1.68 0.00 0.00 54.58 57.01 1xja n ASN 16 Cb 0.00 -0.58 0.10 0.00 -1.54 0.00 0.00 39.78 37.76 1xja n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xja n ALA 17 N 0.03 2.53 0.00 5.41 0.00 -1.26 -4.85 120.51 122.38 1xja n ALA 17 Ca 0.11 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1xja n ALA 17 Cb 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.74 -0.17 -3.73 0.00 8.25 -1.26 -4.90 115.22 112.67 1xja n HIS 18 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 1xja n HIS 18 Cb 0.74 0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.90 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 -3.69 0.42 0.05 2.41 0.20 -1.26 -1.38 118.68 115.43 1xja s LEU 19 Ca 0.00 0.56 0.03 0.00 0.69 0.00 0.00 54.13 55.41 1xja s LEU 19 Cb 0.00 0.80 -0.02 0.00 -0.43 0.00 0.00 46.19 46.54 1xja s LEU 19 CO 0.00 -0.16 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.11 1xja s VAL 20 N 1.17 0.73 0.32 1.68 1.01 0.40 -4.90 120.40 120.80 1xja s VAL 20 Ca -0.08 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 1xja s VAL 20 Cb -0.09 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1xja s VAL 20 CO -0.08 -0.31 0.50 0.00 0.00 0.00 0.00 175.10 175.21 1xja s ALA 21 N -1.30 0.31 0.00 5.51 0.00 -1.26 0.41 121.76 125.43 1xja s ALA 21 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1xja s ALA 21 Cb -0.10 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1xja s ALA 21 CO 0.01 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1xja n GLY 22 N -0.50 -1.57 3.14 0.00 0.00 -0.91 -4.83 105.19 100.53 1xja n GLY 22 Ca -0.01 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.70 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 1.94 -0.44 0.99 2.96 -1.26 -1.86 118.68 121.01 1xja s LEU 23 Ca 0.00 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1xja s LEU 23 Cb 0.00 -0.97 0.12 0.00 0.50 0.00 0.00 46.19 45.84 1xja s LEU 23 CO 0.00 0.17 0.17 -0.89 -1.32 0.00 0.00 176.35 174.48 1xja s THR 24 N -0.04 2.52 -0.73 3.68 2.01 -0.18 -5.00 115.64 117.91 1xja s THR 24 Ca -0.02 -2.83 -0.23 0.00 0.31 0.00 0.00 61.69 58.92 1xja s THR 24 Cb -0.11 -2.79 0.07 0.00 0.01 0.00 0.00 72.50 69.68 1xja s THR 24 CO 0.02 -0.71 1.07 -2.16 -0.69 0.00 0.00 174.62 172.15 1xja s PRO 25 N 0.30 3.21 -0.25 4.92 0.04 -1.26 -2.40 135.00 139.57 1xja s PRO 25 Ca 0.14 -0.85 -0.25 0.00 0.04 0.00 0.00 61.00 60.08 1xja s PRO 25 Cb -0.22 -4.37 -0.00 0.00 0.04 0.00 0.00 34.50 29.95 1xja s PRO 25 CO -0.04 -1.90 0.87 0.42 0.04 0.00 0.00 177.00 176.39 1xja s ILE 26 N 4.27 4.80 -0.05 0.56 -1.09 -1.01 -4.94 121.20 123.74 1xja s ILE 26 Ca 0.27 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 1xja s ILE 26 Cb -0.13 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1xja s ILE 26 CO 0.08 -0.11 -0.01 -1.61 -1.23 0.00 0.00 174.94 172.05 1xja s GLU 27 N 2.93 2.86 -0.09 2.79 0.41 -1.26 -1.09 118.70 125.25 1xja s GLU 27 Ca 0.36 -0.52 -0.33 0.00 -0.41 0.00 0.00 54.97 54.07 1xja s GLU 27 Cb -0.15 -2.71 -0.11 0.00 -1.78 0.00 0.00 34.13 29.38 1xja s GLU 27 CO 0.08 0.66 1.92 0.00 -0.49 0.00 0.00 175.26 177.43 1xja n ALA 28 N 1.83 1.00 -1.02 5.21 0.00 -0.85 -0.31 120.51 126.38 1xja n ALA 28 Ca -0.17 0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 1xja n ALA 28 Cb 0.53 -2.54 -0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 7.12 -4.18 -3.76 0.00 3.02 -1.26 -5.01 115.26 111.19 1xja n ASN 29 Ca 0.23 0.02 -0.30 0.00 -0.03 0.00 0.00 54.58 54.50 1xja n ASN 29 Cb 0.31 -1.75 0.23 0.00 -0.61 0.00 0.00 39.78 37.96 1xja n ASN 29 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xja s GLY 30 N -2.09 1.70 0.38 7.41 0.00 0.58 -4.89 107.32 110.42 1xja s GLY 30 Ca 0.00 -1.21 0.28 0.00 0.00 0.00 0.00 44.72 43.79 1xja s GLY 30 CO 0.00 -0.31 1.83 -0.24 0.00 0.00 0.00 173.10 174.38 1xja h VAL 31 N -2.29 0.00 -0.08 1.40 3.04 -1.95 -2.74 116.25 113.64 1xja h VAL 31 Ca -0.43 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1xja h VAL 31 Cb 1.25 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1xja h VAL 31 CO 0.30 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.04 1xja n LEU 32 N -2.59 2.69 -4.57 3.16 4.77 -1.26 -4.87 117.00 114.33 1xja n LEU 32 Ca 0.01 -1.09 -0.32 0.00 -0.03 0.00 0.00 56.01 54.58 1xja n LEU 32 Cb 0.25 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1xja n LEU 32 CO 0.22 0.49 1.52 -0.62 -1.33 0.00 0.00 177.39 177.68 1xja s ASP 33 N -1.54 5.64 -0.28 -1.43 2.15 -1.03 -4.82 116.67 115.35 1xja s ASP 33 Ca 0.24 -1.41 -0.26 0.00 0.43 0.00 0.00 52.55 51.55 1xja s ASP 33 Cb 0.16 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.36 1xja s ASP 33 CO 0.24 -2.36 1.17 0.72 -0.17 0.00 0.00 175.17 174.77 1xja s PHE 34 N 8.48 -0.32 0.18 -5.34 -0.12 -1.26 -4.84 117.98 114.75 1xja s PHE 34 Ca 0.62 0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 57.96 1xja s PHE 34 Cb -0.02 0.41 -0.08 0.00 -0.63 0.00 0.00 43.02 42.70 1xja s PHE 34 CO 0.03 -0.17 1.32 -0.06 -0.05 0.00 0.00 175.22 176.29 1xja s PHE 35 N 0.00 3.26 0.24 3.49 0.40 -1.26 -4.81 117.98 119.30 1xja s PHE 35 Ca 0.04 1.18 -0.12 0.00 -0.60 0.00 0.00 56.93 57.43 1xja s PHE 35 Cb -0.04 -3.61 -0.08 0.00 0.51 0.00 0.00 43.02 39.80 1xja s PHE 35 CO -0.09 -1.95 0.61 -1.50 0.70 0.00 0.00 175.22 173.00 1xja s ILE 36 N 0.31 4.83 -0.15 0.64 1.10 -0.67 -4.94 121.20 122.32 1xja s ILE 36 Ca 0.58 0.70 -0.05 0.00 -0.51 0.00 0.00 60.65 61.36 1xja s ILE 36 Cb -0.36 -3.65 0.07 0.00 0.15 0.00 0.00 42.46 38.67 1xja s ILE 36 CO 0.37 -0.04 0.30 -0.62 -2.11 0.00 0.00 174.94 172.84 1xja s ASP 37 N -2.20 0.20 -0.32 4.50 2.15 -1.25 -2.91 116.67 116.84 1xja s ASP 37 Ca 0.47 0.69 -0.02 0.00 0.43 0.00 0.00 52.55 54.13 1xja s ASP 37 Cb -0.12 0.85 0.11 0.00 -0.30 0.00 0.00 42.92 43.47 1xja s ASP 37 CO 0.20 -0.24 0.16 0.00 -0.17 0.00 0.00 175.17 175.12 1xja s ARG 38 N 2.45 0.47 0.36 4.34 1.70 -0.52 -5.01 118.95 122.73 1xja s ARG 38 Ca 0.00 -0.97 0.06 0.00 -0.47 0.00 0.00 55.73 54.35 1xja s ARG 38 Cb -0.12 -1.43 0.74 0.00 -0.57 0.00 0.00 34.95 33.57 1xja s ARG 38 CO -0.10 -1.08 1.95 -1.00 -1.08 0.00 0.00 175.30 173.99 1xja h PRO 39 N 7.81 0.73 -0.83 3.89 0.13 -1.93 -1.81 132.00 140.00 1xja h PRO 39 Ca -0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1xja h PRO 39 Cb 0.99 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xja h PRO 39 CO 0.40 0.49 0.00 1.28 -0.23 0.00 0.00 178.00 179.93 1xja n LEU 40 N -4.49 2.86 0.00 1.56 4.77 -1.26 -4.52 117.00 115.92 1xja n LEU 40 Ca 0.11 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1xja n LEU 40 Cb 0.25 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1xja n LEU 40 CO 0.33 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1xja n GLY 41 N 0.26 1.23 3.29 -0.72 0.00 -0.69 -4.43 105.19 104.13 1xja n GLY 41 Ca 0.11 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 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 1.36 0.20 1.61 1.00 -1.26 -4.80 119.30 117.41 1xja s MET 42 Ca 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 55.69 54.05 1xja s MET 42 Cb 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 34.83 34.74 1xja s MET 42 CO 0.00 -0.30 1.45 1.57 0.00 0.00 0.00 175.02 177.74 1xja h LYS 43 N 2.44 0.01 -6.03 2.03 -0.00 -1.95 0.11 116.57 113.17 1xja h LYS 43 Ca -0.38 -0.01 -0.56 0.00 -0.00 0.00 0.00 60.65 59.71 1xja h LYS 43 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.44 1xja h LYS 43 CO 0.60 0.80 -0.30 0.20 -0.00 0.00 0.00 179.45 180.75 1xja s GLY 44 N -4.58 2.28 0.69 0.07 0.00 -1.26 -4.71 107.32 99.80 1xja s GLY 44 Ca -0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 44.72 43.18 1xja s GLY 44 CO 0.79 -1.88 1.01 -0.19 0.00 0.00 0.00 173.10 172.83 1xja s TYR 45 N -2.71 2.99 -0.19 1.90 1.51 -0.31 -4.07 117.35 116.47 1xja s TYR 45 Ca 0.39 0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 56.88 1xja s TYR 45 Cb -0.02 -3.14 0.06 0.00 -0.11 0.00 0.00 41.96 38.75 1xja s TYR 45 CO 0.24 -1.33 0.45 0.42 -1.11 0.00 0.00 175.55 174.22 1xja s ILE 46 N -3.23 -0.04 -0.13 2.71 1.01 -1.02 -2.12 121.20 118.38 1xja s ILE 46 Ca 0.59 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 1xja s ILE 46 Cb -0.11 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1xja s ILE 46 CO 0.45 0.03 -0.05 -0.76 0.00 0.00 0.00 174.94 174.62 1xja s LEU 47 N 1.47 3.23 -0.12 2.97 1.43 -0.82 -0.82 118.68 126.03 1xja s LEU 47 Ca -0.09 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1xja s LEU 47 Cb -0.08 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.39 1xja s LEU 47 CO -0.14 0.23 -0.20 0.21 0.23 0.00 0.00 176.35 176.68 1xja s ASN 48 N -0.02 2.84 -0.13 2.29 3.84 -0.08 -1.78 114.94 121.89 1xja s ASN 48 Ca 0.01 -0.53 0.02 0.00 0.21 0.00 0.00 52.86 52.57 1xja s ASN 48 Cb -0.13 -1.30 0.01 0.00 -0.55 0.00 0.00 41.25 39.28 1xja s ASN 48 CO 0.03 0.08 -0.18 -0.22 -2.79 0.00 0.00 177.10 174.02 1xja s LEU 49 N 0.72 1.88 -0.24 3.21 2.96 0.39 -0.71 118.68 126.90 1xja s LEU 49 Ca -0.11 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.08 1xja s LEU 49 Cb -0.16 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 1xja s LEU 49 CO 0.01 0.02 0.64 -0.89 -1.32 0.00 0.00 176.35 174.82 1xja s THR 50 N 1.03 4.98 -0.22 3.68 2.01 -1.06 0.08 115.64 126.15 1xja s THR 50 Ca -0.04 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.01 1xja s THR 50 Cb -0.15 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1xja s THR 50 CO -0.04 0.04 -0.29 2.30 -0.69 0.00 0.00 174.62 175.93 1xja n ILE 51 N 5.10 1.28 -4.59 1.82 -5.35 0.07 -0.05 119.36 117.63 1xja n ILE 51 Ca -0.00 -0.26 -0.33 0.00 -0.27 0.00 0.00 62.75 61.88 1xja n ILE 51 Cb 0.49 -1.86 -0.14 0.00 -1.74 0.00 0.00 39.64 36.39 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 -2.46 3.43 3.28 6.28 0.52 -1.08 -4.73 118.95 124.19 1xja s ARG 52 Ca -0.31 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1xja s ARG 52 Cb 0.11 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1xja s ARG 52 CO 0.40 0.16 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1xja n GLY 53 N 3.70 -0.03 3.24 -3.53 0.00 -1.26 -0.80 105.19 106.51 1xja n GLY 53 Ca -0.18 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 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 1.02 0.25 1.61 -0.21 -1.10 -3.63 119.66 117.60 1xja s GLN 54 Ca 0.00 -1.43 0.06 0.00 0.02 0.00 0.00 55.36 54.01 1xja s GLN 54 Cb 0.00 -0.56 -0.02 0.00 1.00 0.00 0.00 33.01 33.43 1xja s GLN 54 CO 0.00 0.06 0.20 0.41 -2.12 0.00 0.00 175.29 173.84 1xja n GLY 55 N -0.15 3.22 3.53 3.09 0.00 -0.56 -2.84 105.19 111.48 1xja n GLY 55 Ca -0.11 -1.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.00 1xja n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xja s VAL 56 N -2.98 -0.29 0.20 1.61 0.11 -0.44 -1.82 120.40 116.79 1xja s VAL 56 Ca 0.29 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.40 1xja s VAL 56 Cb 0.01 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1xja s VAL 56 CO 0.20 0.02 0.34 0.68 -3.33 0.00 0.00 175.10 173.00 1xja s VAL 57 N 1.97 5.28 0.03 2.04 -7.23 0.11 -1.97 120.40 120.62 1xja s VAL 57 Ca -0.08 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 1xja s VAL 57 Cb -0.08 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.05 1xja s VAL 57 CO -0.18 -0.21 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.82 1xja s LYS 58 N -3.56 0.43 -0.30 4.82 1.02 0.26 -1.50 119.74 120.92 1xja s LYS 58 Ca 0.35 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.57 1xja s LYS 58 Cb -0.10 -0.04 0.19 0.00 -0.52 0.00 0.00 37.83 37.36 1xja s LYS 58 CO 0.29 -0.02 0.76 1.21 -0.92 0.00 0.00 175.35 176.67 1xja s ASN 59 N -1.69 -1.11 -1.00 2.83 3.84 -0.03 -4.23 114.94 113.54 1xja s ASN 59 Ca -0.11 0.44 -0.14 0.00 0.21 0.00 0.00 52.86 53.26 1xja s ASN 59 Cb -0.08 1.83 0.00 0.00 -0.55 0.00 0.00 41.25 42.45 1xja s ASN 59 CO -0.01 -0.21 0.71 0.00 -2.79 0.00 0.00 177.10 174.80 1xja n GLN 60 N 5.39 -1.19 0.00 0.43 6.02 -1.26 -1.71 117.38 125.06 1xja n GLN 60 Ca 0.01 0.66 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 1xja n GLN 60 Cb 0.53 -3.68 0.00 0.00 1.02 0.00 0.00 30.24 28.11 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 2.39 3.75 1.08 0.00 -1.26 -4.97 105.19 104.44 1xja n GLY 61 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 4.65 0.13 1.61 0.52 -0.69 -5.06 118.95 120.11 1xja s ARG 62 Ca 0.00 1.74 0.07 0.00 -0.52 0.00 0.00 55.73 57.02 1xja s ARG 62 Cb 0.00 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 1xja s ARG 62 CO 0.00 0.19 -0.17 -1.21 0.02 0.00 0.00 175.30 174.13 1xja s GLU 63 N -0.99 1.13 -0.12 3.54 2.02 -1.26 -0.85 118.70 122.17 1xja s GLU 63 Ca 0.46 -1.27 -0.07 0.00 0.02 0.00 0.00 54.97 54.11 1xja s GLU 63 Cb -0.30 -1.17 0.04 0.00 0.10 0.00 0.00 34.13 32.80 1xja s GLU 63 CO 0.38 0.24 0.28 0.12 0.02 0.00 0.00 175.26 176.30 1xja s PHE 64 N -1.83 -0.36 -0.23 1.61 5.36 -0.56 -4.98 117.98 116.99 1xja s PHE 64 Ca 0.10 0.85 -0.12 0.00 -0.96 0.00 0.00 56.93 56.80 1xja s PHE 64 Cb -0.07 0.10 -0.05 0.00 -0.34 0.00 0.00 43.02 42.67 1xja s PHE 64 CO 0.05 -0.22 0.23 0.08 -1.46 0.00 0.00 175.22 173.90 1xja s VAL 65 N 0.89 5.31 -0.24 3.12 1.01 -1.26 0.04 120.40 129.27 1xja s VAL 65 Ca -0.06 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1xja s VAL 65 Cb -0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1xja s VAL 65 CO -0.06 0.31 0.07 0.00 0.00 0.00 0.00 175.10 175.42 1xja s ARG 67 N 1.45 2.53 0.09 0.00 3.00 -1.26 -1.50 118.95 123.27 1xja s ARG 67 Ca 0.06 -1.28 -0.35 0.00 0.00 0.00 0.00 55.73 54.16 1xja s ARG 67 Cb -0.15 -2.65 -0.14 0.00 0.00 0.00 0.00 34.95 32.01 1xja s ARG 67 CO 0.03 -0.62 1.56 -2.30 0.00 0.00 0.00 175.30 173.98 1xja n PRO 68 N -2.13 1.85 -0.18 3.54 -0.02 -1.24 -2.24 135.00 134.58 1xja n PRO 68 Ca 0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1xja n PRO 68 Cb 0.60 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.33 0.82 3.79 -1.23 0.00 0.93 -5.00 105.19 107.83 1xja n GLY 69 Ca 0.18 0.00 -0.37 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 -2.28 6.50 -0.18 1.61 1.01 -0.95 -4.27 116.67 118.11 1xja s ASP 70 Ca 0.00 0.59 -0.02 0.00 0.71 0.00 0.00 52.55 53.83 1xja s ASP 70 Cb 0.00 -2.16 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1xja s ASP 70 CO 0.00 0.24 -0.10 -0.63 0.21 0.00 0.00 175.17 174.89 1xja s ILE 71 N -0.30 3.06 -0.07 0.77 1.09 -0.60 -2.56 121.20 122.59 1xja s ILE 71 Ca 0.17 -0.62 0.02 0.00 -1.10 0.00 0.00 60.65 59.13 1xja s ILE 71 Cb -0.14 -2.35 -0.03 0.00 -1.06 0.00 0.00 42.46 38.89 1xja s ILE 71 CO 0.06 0.48 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.50 1xja s LEU 72 N 1.07 2.92 -0.11 2.97 1.02 0.11 -1.21 118.68 125.46 1xja s LEU 72 Ca 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 1xja s LEU 72 Cb -0.15 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 1xja s LEU 72 CO -0.02 0.34 -0.03 -0.22 0.02 0.00 0.00 176.35 176.44 1xja s LEU 73 N -0.66 3.35 -0.41 1.79 2.96 0.03 -0.90 118.68 124.85 1xja s LEU 73 Ca 0.10 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1xja s LEU 73 Cb -0.11 -1.77 0.12 0.00 0.50 0.00 0.00 46.19 44.92 1xja s LEU 73 CO 0.01 0.29 0.16 -0.36 -1.32 0.00 0.00 176.35 175.13 1xja s PHE 74 N -0.34 2.78 0.90 5.38 0.40 -0.00 -1.91 117.98 125.19 1xja s PHE 74 Ca 0.06 -2.67 -0.11 0.00 -0.60 0.00 0.00 56.93 53.62 1xja s PHE 74 Cb -0.12 -2.41 0.14 0.00 0.51 0.00 0.00 43.02 41.13 1xja s PHE 74 CO 0.02 -0.84 1.16 -2.14 0.70 0.00 0.00 175.22 174.12 1xja s PRO 75 N 0.59 1.08 0.31 0.24 0.02 -1.26 -2.42 135.00 133.56 1xja s PRO 75 Ca 0.14 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 1xja s PRO 75 Cb -0.22 -1.73 -0.12 0.00 0.02 0.00 0.00 34.50 32.45 1xja s PRO 75 CO -0.07 -2.60 1.40 -2.30 -0.33 0.00 0.00 177.00 173.10 1xja n PRO 76 N -4.09 2.27 0.00 5.54 -0.02 -1.26 -1.97 135.00 135.47 1xja n PRO 76 Ca 0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1xja n PRO 76 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.02 3.74 -1.23 0.00 0.38 -4.89 105.19 107.54 1xja n GLY 77 Ca 0.07 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 -0.20 2.77 0.18 1.61 2.56 -0.83 -3.47 118.70 121.31 1xja s GLU 78 Ca 0.00 2.02 -0.31 0.00 0.00 0.00 0.00 54.97 56.68 1xja s GLU 78 Cb 0.00 -1.93 -0.09 0.00 2.00 0.00 0.00 34.13 34.11 1xja s GLU 78 CO 0.00 -1.42 1.42 0.42 -0.56 0.00 0.00 175.26 175.12 1xja s ILE 79 N -1.44 2.97 -0.36 -3.70 1.09 -1.26 -3.31 121.20 115.20 1xja s ILE 79 Ca 0.80 0.75 -0.03 0.00 -1.10 0.00 0.00 60.65 61.06 1xja s ILE 79 Cb -0.36 -3.48 0.07 0.00 -1.06 0.00 0.00 42.46 37.64 1xja s ILE 79 CO 0.39 0.09 0.11 -1.00 -0.10 0.00 0.00 174.94 174.43 1xja s HIS 80 N 0.59 3.40 -0.35 3.97 3.76 -1.15 -4.97 115.29 120.54 1xja s HIS 80 Ca 0.62 -1.99 0.02 0.00 -0.15 0.00 0.00 55.06 53.56 1xja s HIS 80 Cb -0.39 -2.63 0.15 0.00 1.11 0.00 0.00 32.58 30.82 1xja s HIS 80 CO 0.36 -0.86 0.35 -1.58 -0.85 0.00 0.00 174.74 172.15 1xja s HIS 81 N 1.24 -0.30 0.13 1.40 5.04 -1.26 -1.44 115.29 120.11 1xja s HIS 81 Ca 0.01 -0.67 -0.12 0.00 -1.54 0.00 0.00 55.06 52.75 1xja s HIS 81 Cb -0.21 -0.44 0.01 0.00 0.04 0.00 0.00 32.58 31.98 1xja s HIS 81 CO -0.01 -0.95 0.32 1.52 -2.34 0.00 0.00 174.74 173.27 1xja s TYR 82 N 1.69 0.08 0.06 3.88 -0.85 -1.15 0.89 117.35 121.96 1xja s TYR 82 Ca 0.15 -0.45 -0.27 0.00 -0.52 0.00 0.00 57.07 55.97 1xja s TYR 82 Cb -0.15 0.09 0.09 0.00 0.38 0.00 0.00 41.96 42.37 1xja s TYR 82 CO -0.12 -0.69 1.15 0.20 -1.52 0.00 0.00 175.55 174.58 1xja s GLY 83 N -2.88 -0.25 0.56 5.49 0.00 -0.83 -1.68 107.32 107.74 1xja s GLY 83 Ca 0.08 0.29 -0.20 0.00 0.00 0.00 0.00 44.72 44.90 1xja s GLY 83 CO -0.07 1.09 0.97 -2.13 0.00 0.00 0.00 173.10 172.96 1xja n ARG 84 N -0.57 1.02 -2.71 2.90 0.63 -1.26 -1.33 116.66 115.35 1xja n ARG 84 Ca -0.06 0.39 -0.42 0.00 -0.92 0.00 0.00 57.85 56.84 1xja n ARG 84 Cb 0.61 -2.14 -0.03 0.00 0.45 0.00 0.00 32.46 31.35 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 -1.47 3.47 0.65 -0.14 5.65 -1.13 -4.65 115.29 117.67 1xja s HIS 85 Ca 0.72 1.53 0.06 0.00 0.25 0.00 0.00 55.06 57.63 1xja s HIS 85 Cb -0.44 -3.18 0.34 0.00 -1.18 0.00 0.00 32.58 28.11 1xja s HIS 85 CO 0.50 -0.28 1.19 -1.00 -0.65 0.00 0.00 174.74 174.50 1xja h PRO 86 N 7.19 0.00 -0.38 2.88 0.13 -1.93 1.01 132.00 140.91 1xja h PRO 86 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xja h PRO 86 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xja h PRO 86 CO 0.88 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.04 1xja n GLU 87 N -2.57 2.86 -4.17 0.86 1.02 -1.26 -4.93 120.64 112.46 1xja n GLU 87 Ca -0.00 -2.11 -0.34 0.00 -0.02 0.00 0.00 57.16 54.69 1xja n GLU 87 Cb 0.86 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.88 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 -1.00 3.22 0.46 0.62 0.00 0.35 -4.97 121.76 120.43 1xja s ALA 88 Ca 0.25 -0.79 0.40 0.00 0.00 0.00 0.00 51.96 51.83 1xja s ALA 88 Cb 0.13 -1.77 2.08 0.00 0.00 0.00 0.00 23.12 23.57 1xja s ALA 88 CO 0.17 0.17 2.23 0.00 0.00 0.00 0.00 175.76 178.33 1xja h ARG 89 N 6.75 0.00 -2.09 0.00 3.08 -1.92 -3.44 114.38 116.77 1xja h ARG 89 Ca -0.34 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.85 1xja h ARG 89 Cb 1.18 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.07 1xja h ARG 89 CO 0.67 0.00 0.57 -1.83 -1.07 0.00 0.00 179.97 178.31 1xja s GLU 90 N -3.98 0.70 -0.38 0.04 4.04 -1.26 -2.01 118.70 115.85 1xja s GLU 90 Ca -0.03 -0.26 0.01 0.00 0.04 0.00 0.00 54.97 54.73 1xja s GLU 90 Cb 0.12 0.32 0.14 0.00 0.02 0.00 0.00 34.13 34.73 1xja s GLU 90 CO 0.43 -0.31 0.23 -0.46 -1.84 0.00 0.00 175.26 173.31 1xja s TRP 91 N -2.95 1.05 -0.13 4.83 -0.00 -0.25 -2.71 118.94 118.77 1xja s TRP 91 Ca 0.06 -1.88 -0.21 0.00 -0.00 0.00 0.00 56.10 54.08 1xja s TRP 91 Cb -0.01 -1.14 -0.03 0.00 -0.00 0.00 0.00 33.47 32.29 1xja s TRP 91 CO -0.08 -0.82 0.59 0.71 -0.00 0.00 0.00 176.95 177.36 1xja s TYR 92 N 0.80 3.48 -0.03 5.86 1.51 0.02 -2.41 117.35 126.58 1xja s TYR 92 Ca 0.19 1.00 -0.06 0.00 -1.01 0.00 0.00 57.07 57.19 1xja s TYR 92 Cb -0.20 -2.71 0.01 0.00 -0.11 0.00 0.00 41.96 38.94 1xja s TYR 92 CO -0.01 0.02 0.14 -3.38 -1.11 0.00 0.00 175.55 171.21 1xja s HIS 93 N 1.14 -0.06 -0.12 2.71 -3.43 -1.01 -0.75 115.29 113.78 1xja s HIS 93 Ca 0.30 0.13 -0.05 0.00 -0.80 0.00 0.00 55.06 54.64 1xja s HIS 93 Cb -0.16 0.00 -0.04 0.00 -1.43 0.00 0.00 32.58 30.95 1xja s HIS 93 CO 0.13 -0.19 0.09 -0.65 -2.00 0.00 0.00 174.74 172.11 1xja s GLN 94 N -0.68 3.37 0.18 -0.38 -0.21 0.11 -1.01 119.66 121.05 1xja s GLN 94 Ca -0.08 -0.25 0.06 0.00 0.02 0.00 0.00 55.36 55.12 1xja s GLN 94 Cb -0.05 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.85 1xja s GLN 94 CO 0.01 0.69 -0.12 1.67 -2.12 0.00 0.00 175.29 175.42 1xja s TRP 95 N -0.79 1.52 -0.15 0.91 1.48 -0.78 -0.46 118.94 120.66 1xja s TRP 95 Ca 0.13 -0.67 -0.04 0.00 -1.06 0.00 0.00 56.10 54.46 1xja s TRP 95 Cb -0.12 -0.74 0.07 0.00 -1.16 0.00 0.00 33.47 31.52 1xja s TRP 95 CO 0.03 0.22 0.18 0.54 -4.06 0.00 0.00 176.95 173.86 1xja s VAL 96 N -3.14 -0.28 -0.24 -0.66 0.11 -0.74 -2.13 120.40 113.32 1xja s VAL 96 Ca 0.20 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.19 1xja s VAL 96 Cb 0.01 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1xja s VAL 96 CO 0.04 -0.07 0.30 -0.47 -3.33 0.00 0.00 175.10 171.58 1xja s TYR 97 N 2.30 3.30 0.18 1.54 5.04 0.17 -1.94 117.35 127.94 1xja s TYR 97 Ca 0.04 0.39 -0.11 0.00 -2.44 0.00 0.00 57.07 54.95 1xja s TYR 97 Cb -0.14 -2.45 -0.00 0.00 0.35 0.00 0.00 41.96 39.72 1xja s TYR 97 CO -0.09 -0.07 0.36 -0.59 -1.34 0.00 0.00 175.55 173.82 1xja s PHE 98 N 1.50 0.30 -0.34 4.97 -0.71 -0.90 -0.45 117.98 122.35 1xja s PHE 98 Ca 0.13 -0.66 0.01 0.00 -1.04 0.00 0.00 56.93 55.38 1xja s PHE 98 Cb -0.15 0.07 0.09 0.00 -1.21 0.00 0.00 43.02 41.82 1xja s PHE 98 CO 0.08 -0.80 0.07 -0.98 -1.34 0.00 0.00 175.22 172.24 1xja s ARG 99 N -3.96 1.81 1.10 1.99 3.03 -0.48 -1.16 118.95 121.29 1xja s ARG 99 Ca 0.17 -1.73 -0.12 0.00 2.03 0.00 0.00 55.73 56.07 1xja s ARG 99 Cb 0.02 -3.27 0.24 0.00 -1.03 0.00 0.00 34.95 30.91 1xja s ARG 99 CO 0.01 -0.90 0.98 -0.35 -1.13 0.00 0.00 175.30 173.91 1xja n PRO 100 N 4.40 -1.87 -3.18 3.89 -0.04 -1.26 -4.91 135.00 132.02 1xja n PRO 100 Ca -0.02 -0.51 -0.34 0.00 -0.04 0.00 0.00 63.50 62.60 1xja n PRO 100 Cb 0.42 -2.19 -0.06 0.00 -0.04 0.00 0.00 33.50 31.63 1xja n PRO 100 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xja s ARG 101 N -4.39 4.04 0.22 0.54 0.52 -1.26 -4.98 118.95 113.64 1xja s ARG 101 Ca 0.67 0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 56.38 1xja s ARG 101 Cb -0.24 -2.63 0.25 0.00 0.52 0.00 0.00 34.95 32.85 1xja s ARG 101 CO 0.63 0.27 1.47 0.00 0.02 0.00 0.00 175.30 177.70 1xja n ALA 102 N 0.08 -0.08 1.65 2.13 0.00 -1.26 -0.44 120.51 122.59 1xja n ALA 102 Ca 0.01 0.95 0.10 0.00 0.00 0.00 0.00 53.44 54.50 1xja n ALA 102 Cb 0.52 -0.44 0.57 0.00 0.00 0.00 0.00 19.45 20.10 1xja n ALA 102 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1xja n TYR 103 N -5.41 0.00 0.12 0.00 4.11 -1.26 -3.77 117.16 110.95 1xja n TYR 103 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.99 1xja n TYR 103 Cb 0.39 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.76 1xja n TYR 103 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.86 175.37 1xja h TRP 104 N 0.00 0.00 -1.01 -3.48 4.06 -1.13 -3.37 115.95 111.01 1xja h TRP 104 Ca 0.00 0.00 0.29 0.00 2.06 0.00 0.00 58.89 61.24 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 0.68 0.59 0.45 -3.56 0.00 0.00 178.44 176.60 1xja h HIS 105 N 0.00 0.95 0.00 0.49 3.86 -1.72 0.20 115.15 118.93 1xja h HIS 105 Ca -0.01 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1xja h HIS 105 Cb 1.44 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 1xja h HIS 105 CO 0.00 -0.08 -0.03 0.93 0.86 0.00 0.00 177.93 179.61 1xja h GLU 106 N 0.42 0.00 -0.58 2.45 5.08 -1.89 -1.15 114.58 118.90 1xja h GLU 106 Ca 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1xja h GLU 106 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1xja h GLU 106 CO -0.54 0.03 0.00 0.91 -1.00 0.00 0.00 179.01 178.41 1xja n TRP 107 N -4.14 0.78 -0.03 4.33 8.01 0.70 -3.90 117.44 123.18 1xja n TRP 107 Ca -0.03 -0.39 0.05 0.00 -1.31 0.00 0.00 57.50 55.82 1xja n TRP 107 Cb 0.12 -0.00 0.11 0.00 -2.01 0.00 0.00 31.31 29.53 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 1.20 2.59 -3.72 -0.99 4.77 -0.44 -4.79 117.00 115.62 1xja n LEU 108 Ca 0.19 -1.78 -0.42 0.00 -0.03 0.00 0.00 56.01 53.97 1xja n LEU 108 Cb 0.49 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xja n LEU 108 CO 0.13 0.63 2.24 -3.20 -1.33 0.00 0.00 177.39 175.85 1xja n ASN 109 N 0.41 5.90 -4.81 -1.43 2.85 -1.23 -4.98 115.26 111.96 1xja n ASN 109 Ca 0.09 -3.06 -0.34 0.00 -0.11 0.00 0.00 54.58 51.16 1xja n ASN 109 Cb 0.37 -1.47 -0.07 0.00 1.24 0.00 0.00 39.78 39.85 1xja n ASN 109 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1xja s TRP 110 N 0.42 3.41 -0.02 1.20 0.52 -1.26 -5.00 118.94 118.20 1xja s TRP 110 Ca 0.46 1.62 -0.30 0.00 0.02 0.00 0.00 56.10 57.90 1xja s TRP 110 Cb 0.13 -2.84 -0.05 0.00 -1.15 0.00 0.00 33.47 29.55 1xja s TRP 110 CO -0.03 -0.01 1.47 -1.25 0.02 0.00 0.00 176.95 177.14 1xja s PRO 111 N -2.88 4.25 0.00 4.98 0.04 -1.26 -4.52 135.00 135.60 1xja s PRO 111 Ca 0.58 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.45 1xja s PRO 111 Cb -0.11 -3.68 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 1xja s PRO 111 CO 0.16 -0.67 0.58 -1.54 0.04 0.00 0.00 177.00 175.57 1xja s SER 112 N 2.26 6.97 0.60 6.66 1.04 -1.26 -1.46 113.70 128.52 1xja s SER 112 Ca 0.66 1.15 0.38 0.00 0.48 0.00 0.00 55.95 58.62 1xja s SER 112 Cb -0.32 -2.36 1.91 0.00 0.10 0.00 0.00 66.02 65.36 1xja s SER 112 CO 0.27 0.13 2.20 0.16 0.98 0.00 0.00 173.24 176.97 1xja h ILE 113 N 4.06 0.11 0.00 -1.02 3.07 -1.69 -3.45 117.51 118.60 1xja h ILE 113 Ca -0.46 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.70 1xja h ILE 113 Cb 1.20 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1xja h ILE 113 CO 0.69 0.02 0.00 2.22 -1.05 0.00 0.00 178.15 180.03 1xja n PHE 114 N -3.20 0.00 0.00 0.16 1.16 -1.26 -5.07 117.46 109.25 1xja n PHE 114 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1xja n PHE 114 Cb 0.17 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 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 -0.03 0.00 -2.23 1.98 0.00 -1.26 -1.63 120.51 117.34 1xja n ALA 115 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1xja n ALA 115 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 5.03 4.06 -4.30 0.00 4.05 -1.26 -4.83 115.26 118.02 1xja n ASN 116 Ca 0.00 -3.31 -0.45 0.00 0.45 0.00 0.00 54.58 51.26 1xja n ASN 116 Cb 0.00 -0.38 -0.05 0.00 1.23 0.00 0.00 39.78 40.58 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 -4.39 5.12 0.63 -0.44 2.01 -0.65 -4.39 115.64 113.54 1xja s THR 117 Ca 0.45 -1.67 -0.18 0.00 0.31 0.00 0.00 61.69 60.60 1xja s THR 117 Cb 0.39 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 1xja s THR 117 CO 0.02 -0.88 1.29 -0.83 -0.69 0.00 0.00 174.62 173.53 1xja s GLY 118 N 3.29 2.85 -0.04 4.40 0.00 -0.80 -1.89 107.32 115.13 1xja s GLY 118 Ca 0.05 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.94 1xja s GLY 118 CO 0.01 1.63 0.10 -0.12 0.00 0.00 0.00 173.10 174.72 1xja s PHE 119 N -1.41 -0.11 -0.12 1.90 2.19 -0.53 -0.79 117.98 119.11 1xja s PHE 119 Ca 0.81 0.26 -0.05 0.00 0.33 0.00 0.00 56.93 58.29 1xja s PHE 119 Cb -0.37 0.03 0.06 0.00 -1.31 0.00 0.00 43.02 41.44 1xja s PHE 119 CO 0.39 -0.05 0.25 0.12 1.83 0.00 0.00 175.22 177.76 1xja s PHE 120 N 0.08 -0.39 -0.34 10.12 5.36 -0.35 -4.43 117.98 128.03 1xja s PHE 120 Ca -0.00 0.92 0.04 0.00 -0.96 0.00 0.00 56.93 56.93 1xja s PHE 120 Cb -0.01 -0.06 0.10 0.00 -0.34 0.00 0.00 43.02 42.71 1xja s PHE 120 CO 0.00 -0.34 0.04 0.50 -1.46 0.00 0.00 175.22 173.96 1xja s ARG 121 N 2.34 1.59 0.41 10.12 3.52 -1.26 -1.56 118.95 134.09 1xja s ARG 121 Ca 0.01 -1.82 -0.25 0.00 -0.13 0.00 0.00 55.73 53.54 1xja s ARG 121 Cb -0.12 -3.20 -0.11 0.00 -1.56 0.00 0.00 34.95 29.97 1xja s ARG 121 CO -0.08 -0.91 1.09 -2.30 -0.81 0.00 0.00 175.30 172.29 1xja n PRO 122 N 4.29 1.53 -0.77 5.12 -0.02 -1.26 -4.93 135.00 138.95 1xja n PRO 122 Ca 0.02 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1xja n PRO 122 Cb 0.42 -2.12 0.18 0.00 -0.02 0.00 0.00 33.50 31.95 1xja n PRO 122 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1xja s ASP 123 N -0.66 2.67 0.44 2.55 1.47 -1.26 -4.51 116.67 117.37 1xja s ASP 123 Ca 0.62 1.92 0.24 0.00 1.18 0.00 0.00 52.55 56.51 1xja s ASP 123 Cb -0.56 -2.46 1.25 0.00 -0.34 0.00 0.00 42.92 40.82 1xja s ASP 123 CO 0.57 -3.21 1.78 1.05 0.68 0.00 0.00 175.17 176.04 1xja h GLU 124 N -1.95 0.25 0.00 2.11 -0.00 -2.01 -0.35 114.58 112.63 1xja h GLU 124 Ca -0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.86 1xja h GLU 124 Cb 1.28 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 1xja h GLU 124 CO 0.46 0.17 -0.05 0.00 -0.00 0.00 0.00 179.01 179.59 1xja h ALA 125 N 1.56 0.97 0.00 1.06 0.00 -2.02 -3.32 119.26 117.51 1xja h ALA 125 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1xja h ALA 125 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1xja h ALA 125 CO -0.21 0.00 -1.61 0.72 0.00 0.00 0.00 179.25 178.15 1xja n HIS 126 N -2.95 0.00 -0.27 0.00 8.25 -0.23 -4.56 115.22 115.46 1xja n HIS 126 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 1xja n HIS 126 Cb 0.52 -0.32 0.21 0.00 1.12 0.00 0.00 29.99 31.51 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 0.00 0.17 -0.02 -0.41 4.20 -1.41 -2.13 115.11 115.51 1xja h GLN 127 Ca 0.00 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1xja h GLN 127 Cb 0.76 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1xja h GLN 127 CO 0.00 0.12 -0.15 -1.35 -0.67 0.00 0.00 178.83 176.77 1xja h PRO 128 N 0.18 -0.23 0.38 1.46 0.11 -1.80 -1.60 132.00 130.49 1xja h PRO 128 Ca 0.46 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.58 1xja h PRO 128 Cb 0.84 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1xja h PRO 128 CO -0.62 -0.16 -0.29 0.45 -0.21 0.00 0.00 178.00 177.17 1xja h HIS 129 N -0.24 -0.78 -0.37 0.65 3.86 -1.70 -2.19 115.15 114.38 1xja h HIS 129 Ca 0.06 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1xja h HIS 129 Cb 0.32 0.29 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 1xja h HIS 129 CO -0.22 -0.44 0.11 0.74 0.86 0.00 0.00 177.93 178.99 1xja h PHE 130 N -0.67 0.19 0.00 2.45 0.04 -1.43 0.16 116.94 117.67 1xja h PHE 130 Ca -0.03 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1xja h PHE 130 Cb 0.58 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 1xja h PHE 130 CO -0.14 0.07 -0.06 0.77 -0.60 0.00 0.00 178.31 178.35 1xja h SER 131 N 0.25 0.00 0.06 2.17 0.02 -1.23 -0.06 113.55 114.76 1xja h SER 131 Ca 0.17 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1xja h SER 131 Cb 0.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1xja h SER 131 CO -0.19 0.06 -0.45 -0.78 -1.14 0.00 0.00 176.83 174.32 1xja h ASP 132 N 0.00 0.29 -0.32 3.07 3.58 -0.58 -1.44 116.42 121.03 1xja h ASP 132 Ca -0.00 -0.92 0.04 0.00 0.42 0.00 0.00 57.03 56.58 1xja h ASP 132 Cb 0.11 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1xja h ASP 132 CO 0.01 1.18 0.07 0.25 -2.88 0.00 0.00 179.24 177.87 1xja h LEU 133 N -0.56 0.03 -0.96 2.28 6.46 -0.46 0.12 115.31 122.21 1xja h LEU 133 Ca -0.07 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 57.82 1xja h LEU 133 Cb 1.31 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 41.23 1xja h LEU 133 CO 0.09 0.05 0.61 0.15 -0.62 0.00 0.00 178.44 178.71 1xja h PHE 134 N 0.19 1.12 -0.21 1.25 3.04 -1.08 0.10 116.94 121.34 1xja h PHE 134 Ca 0.15 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1xja h PHE 134 Cb 0.16 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.29 1xja h PHE 134 CO -0.17 0.52 -0.04 0.78 -2.02 0.00 0.00 178.31 177.39 1xja h GLY 135 N 1.05 0.34 1.61 2.40 0.00 0.23 -1.94 103.07 106.76 1xja h GLY 135 Ca 0.44 -0.18 -0.19 0.00 0.00 0.00 0.00 47.33 47.40 1xja h GLY 135 CO -0.21 0.17 -0.77 1.46 0.00 0.00 0.00 176.54 177.19 1xja h GLN 136 N 0.31 0.37 -0.83 4.80 4.20 0.15 -2.82 115.11 121.29 1xja h GLN 136 Ca 0.07 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1xja h GLN 136 Cb 0.27 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 1xja h GLN 136 CO 0.01 0.98 0.42 0.82 -0.67 0.00 0.00 178.83 180.39 1xja h ILE 137 N 0.24 1.25 -0.66 2.54 2.04 -0.41 0.08 117.51 122.60 1xja h ILE 137 Ca -0.04 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1xja h ILE 137 Cb 1.36 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1xja h ILE 137 CO 0.13 0.29 0.27 0.40 0.00 0.00 0.00 178.15 179.24 1xja h ILE 138 N 1.17 1.24 -0.29 -0.67 1.08 -1.30 0.61 117.51 119.34 1xja h ILE 138 Ca 0.29 -0.74 -0.09 0.00 -0.39 0.00 0.00 64.86 63.92 1xja h ILE 138 Cb 0.08 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1xja h ILE 138 CO -0.04 0.29 -0.19 0.78 -0.69 0.00 0.00 178.15 178.31 1xja h ASN 139 N 0.93 0.67 -0.31 1.72 -0.26 -1.20 -2.16 115.58 114.97 1xja h ASN 139 Ca 0.22 -0.43 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 1xja h ASN 139 Cb 0.20 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1xja h ASN 139 CO -0.02 0.95 0.16 0.00 -1.06 0.00 0.00 177.43 177.46 1xja h ALA 140 N 0.73 0.39 -0.01 -0.83 0.00 -0.85 -1.13 119.26 117.57 1xja h ALA 140 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xja h ALA 140 Cb 0.72 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xja h ALA 140 CO 0.05 -0.06 0.01 0.78 0.00 0.00 0.00 179.25 180.03 1xja h GLY 141 N 0.37 0.00 -1.50 0.00 0.00 -0.76 -1.96 103.07 99.22 1xja h GLY 141 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1xja h GLY 141 CO -0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 1xja n GLN 142 N -3.65 1.63 -1.42 4.80 6.02 -0.82 -4.54 117.38 119.39 1xja n GLN 142 Ca -0.03 -1.66 -0.31 0.00 -0.01 0.00 0.00 57.00 54.98 1xja n GLN 142 Cb 0.09 -1.35 0.07 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.39 1.76 0.05 1.08 0.00 -0.48 -4.97 107.32 103.37 1xja s GLY 143 Ca 0.23 0.28 0.22 0.00 0.00 0.00 0.00 44.72 45.45 1xja s GLY 143 CO 0.22 0.62 0.82 1.18 0.00 0.00 0.00 173.10 175.94 1xja n GLU 144 N -3.24 0.46 -1.54 2.90 1.02 -1.26 -4.84 120.64 114.14 1xja n GLU 144 Ca 0.09 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1xja n GLU 144 Cb 0.53 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.31 -0.77 0.30 0.62 0.00 -1.26 -4.85 105.19 100.53 1xja n GLY 145 Ca -0.00 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 1.23 0.00 -0.62 1.61 2.43 -2.02 -1.26 114.38 115.75 1xja h ARG 146 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1xja h ARG 146 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1xja h ARG 146 CO 0.55 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.67 1xja n TYR 147 N -4.36 0.82 -0.03 2.20 4.01 -1.26 -4.61 117.16 113.92 1xja n TYR 147 Ca 0.00 -0.49 -0.09 0.00 -0.16 0.00 0.00 57.90 57.16 1xja n TYR 147 Cb 0.22 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 3.69 0.03 -0.63 7.72 0.02 -1.51 -1.61 113.55 121.25 1xja h SER 148 Ca 0.00 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1xja h SER 148 Cb 0.92 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1xja h SER 148 CO 0.00 0.04 0.14 -0.08 -1.14 0.00 0.00 176.83 175.79 1xja h GLU 149 N 0.12 1.02 -0.15 3.45 4.81 -1.78 -1.81 114.58 120.24 1xja h GLU 149 Ca 0.08 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1xja h GLU 149 Cb 0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1xja h GLU 149 CO -0.09 0.93 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.94 1xja h LEU 150 N 0.93 0.22 -0.18 1.64 3.38 -1.83 -0.62 115.31 118.85 1xja h LEU 150 Ca 0.20 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1xja h LEU 150 Cb 0.38 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xja h LEU 150 CO 0.01 0.37 -0.27 -0.07 0.09 0.00 0.00 178.44 178.56 1xja h LEU 151 N 0.23 0.56 -0.71 1.67 3.38 -0.88 -1.21 115.31 118.35 1xja h LEU 151 Ca 0.05 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.51 1xja h LEU 151 Cb 0.35 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1xja h LEU 151 CO 0.02 0.97 0.46 0.00 0.09 0.00 0.00 178.44 179.98 1xja h ALA 152 N 0.61 0.90 -0.28 1.53 0.00 -0.95 0.29 119.26 121.36 1xja h ALA 152 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xja h ALA 152 Cb 0.85 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xja h ALA 152 CO 0.06 0.29 0.18 0.82 0.00 0.00 0.00 179.25 180.61 1xja h ILE 153 N 0.93 1.08 -0.31 0.00 2.04 -1.06 0.26 117.51 120.47 1xja h ILE 153 Ca 0.27 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1xja h ILE 153 Cb -0.08 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1xja h ILE 153 CO -0.07 0.07 0.20 -1.13 0.00 0.00 0.00 178.15 177.23 1xja h ASN 154 N 0.37 0.35 -0.46 1.72 -1.24 -0.48 -0.81 115.58 115.03 1xja h ASN 154 Ca 0.10 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 1xja h ASN 154 Cb -0.03 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 1xja h ASN 154 CO -0.02 0.26 0.03 -0.07 -1.29 0.00 0.00 177.43 176.33 1xja h LEU 155 N 0.41 0.83 -0.49 0.34 3.38 -0.13 -0.91 115.31 118.74 1xja h LEU 155 Ca 0.11 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xja h LEU 155 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1xja h LEU 155 CO -0.02 0.88 0.31 0.25 0.09 0.00 0.00 178.44 179.94 1xja h LEU 156 N 0.81 0.58 -1.03 1.67 5.85 -0.09 -0.26 115.31 122.84 1xja h LEU 156 Ca 0.16 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xja h LEU 156 Cb 0.44 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1xja h LEU 156 CO 0.02 0.44 0.66 -0.08 -0.34 0.00 0.00 178.44 179.14 1xja h GLU 157 N 0.66 1.30 -0.56 1.25 4.81 -0.67 -1.28 114.58 120.09 1xja h GLU 157 Ca 0.18 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1xja h GLU 157 Cb -0.04 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.03 1xja h GLU 157 CO -0.04 0.86 0.18 0.37 -0.73 0.00 0.00 179.01 179.66 1xja h GLN 158 N 1.34 0.86 -0.18 1.92 4.15 -0.43 -0.48 115.11 122.30 1xja h GLN 158 Ca 0.37 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.63 1xja h GLN 158 Cb -0.15 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 1xja h GLN 158 CO -0.08 0.78 0.02 1.25 -1.93 0.00 0.00 178.83 178.87 1xja h LEU 159 N 0.78 -0.02 0.32 -2.39 6.46 -0.24 0.39 115.31 120.60 1xja h LEU 159 Ca 0.18 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1xja h LEU 159 Cb 0.28 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1xja h LEU 159 CO -0.01 0.01 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.40 1xja h LEU 160 N 0.09 -0.99 -0.99 2.25 3.38 -1.01 -0.64 115.31 117.39 1xja h LEU 160 Ca 0.08 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.29 1xja h LEU 160 Cb 0.09 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.08 1xja h LEU 160 CO -0.12 -0.49 0.61 -0.07 0.09 0.00 0.00 178.44 178.45 1xja h LEU 161 N -0.72 0.83 -0.63 1.67 3.38 -0.75 0.04 115.31 119.13 1xja h LEU 161 Ca -0.02 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1xja h LEU 161 Cb 0.66 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1xja h LEU 161 CO -0.09 0.37 0.20 0.03 0.09 0.00 0.00 178.44 179.04 1xja h ARG 162 N 0.86 0.98 -0.60 1.13 2.47 0.38 -2.81 114.38 116.79 1xja h ARG 162 Ca 0.53 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 59.05 1xja h ARG 162 Cb 0.68 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1xja h ARG 162 CO -0.33 0.87 0.39 -0.09 0.56 0.00 0.00 179.97 181.37 1xja h ARG 163 N 0.91 0.75 -0.73 0.04 2.43 0.53 0.20 114.38 118.51 1xja h ARG 163 Ca 0.20 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.41 1xja h ARG 163 Cb 0.29 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1xja h ARG 163 CO -0.01 0.50 0.39 0.52 -1.51 0.00 0.00 179.97 179.87 1xja h MET 164 N 0.78 0.67 0.00 0.20 2.86 -1.11 0.12 114.93 118.44 1xja h MET 164 Ca 0.23 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.66 1xja h MET 164 Cb -0.04 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1xja h MET 164 CO -0.07 0.44 -0.84 0.93 1.06 0.00 0.00 176.91 178.43 1xja h GLU 165 N 0.69 0.00 -0.23 1.72 3.07 -1.25 -3.23 114.58 115.36 1xja h GLU 165 Ca 0.34 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.09 1xja h GLU 165 Cb 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1xja h GLU 165 CO -0.23 0.79 -0.32 0.00 -1.40 0.00 0.00 179.01 177.85 1xja h ALA 166 N 1.19 1.03 0.00 3.43 0.00 0.22 0.64 119.26 125.77 1xja h ALA 166 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xja h ALA 166 Cb 1.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1xja h ALA 166 CO 0.10 0.59 0.00 0.44 0.00 0.00 0.00 179.25 180.38 1xja n ILE 167 N -4.08 0.00 -0.71 0.00 -0.00 0.33 -5.07 119.36 109.83 1xja n ILE 167 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1xja n ILE 167 Cb 0.45 -0.44 0.00 0.00 -0.00 0.00 0.00 39.64 39.65 1xja n ILE 167 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14