#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xja n PRO 8 N 0.00 1.92 -0.16 -0.67 -0.04 -1.26 -4.47 135.00 130.32 1xja n PRO 8 Ca 0.00 0.68 -0.09 0.00 -0.04 0.00 0.00 63.50 64.05 1xja n PRO 8 Cb 0.00 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1xja n PRO 8 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xja h LEU 9 N 4.10 0.69 -6.82 1.53 6.46 -1.20 -3.36 115.31 116.71 1xja h LEU 9 Ca -0.45 -0.22 -0.61 0.00 -0.12 0.00 0.00 57.88 56.49 1xja h LEU 9 Cb 1.28 -0.18 -0.40 0.00 -0.73 0.00 0.00 40.66 40.63 1xja h LEU 9 CO 0.75 0.73 -0.77 -0.22 -0.62 0.00 0.00 178.44 178.31 1xja s LEU 10 N -9.66 2.78 0.09 2.25 2.96 -1.26 -5.05 118.68 110.80 1xja s LEU 10 Ca -0.13 -3.04 -0.36 0.00 -0.22 0.00 0.00 54.13 50.39 1xja s LEU 10 Cb 0.11 -0.99 -0.18 0.00 0.50 0.00 0.00 46.19 45.63 1xja s LEU 10 CO 0.78 -0.20 1.03 -2.65 -1.32 0.00 0.00 176.35 173.99 1xja n PRO 11 N 2.98 0.44 0.00 0.98 -0.02 -1.26 -2.03 135.00 136.09 1xja n PRO 11 Ca 0.17 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1xja n PRO 11 Cb 0.38 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.85 2.53 0.24 -1.23 0.00 -1.26 -4.77 105.19 102.55 1xja n GLY 12 Ca 0.18 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 0.87 -2.70 1.61 3.20 -1.87 -3.48 116.97 114.61 1xja h TYR 13 Ca 0.00 -0.28 0.11 0.00 3.14 0.00 0.00 58.73 61.70 1xja h TYR 13 Cb 0.00 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 1xja h TYR 13 CO 0.00 1.05 0.37 0.45 -1.64 0.00 0.00 178.16 178.38 1xja s SER 14 N -6.89 -0.17 -0.01 -2.11 0.15 -1.18 -5.04 113.70 98.45 1xja s SER 14 Ca -0.09 -0.61 0.21 0.00 0.70 0.00 0.00 55.95 56.17 1xja s SER 14 Cb 0.11 0.63 -0.28 0.00 -1.71 0.00 0.00 66.02 64.77 1xja s SER 14 CO 0.86 -1.19 0.69 0.49 1.20 0.00 0.00 173.24 175.29 1xja n PHE 15 N -0.50 0.00 -1.61 3.44 0.99 -1.26 -4.58 117.46 113.94 1xja n PHE 15 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.99 1xja n PHE 15 Cb 0.60 -0.24 0.02 0.00 -1.00 0.00 0.00 39.48 38.86 1xja n PHE 15 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1xja n ASN 16 N -1.86 1.28 -0.00 4.37 3.02 -1.26 -4.21 115.26 116.60 1xja n ASN 16 Ca 0.00 1.02 0.03 0.00 -0.03 0.00 0.00 54.58 55.60 1xja n ASN 16 Cb 0.44 -1.36 -0.04 0.00 -0.61 0.00 0.00 39.78 38.20 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 -0.59 2.80 -0.04 5.41 0.00 -1.26 -0.82 120.51 126.00 1xja n ALA 17 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1xja n ALA 17 Cb 0.40 -0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.29 0.00 -3.67 0.00 8.25 -1.26 -4.48 115.22 112.77 1xja n HIS 18 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1xja n HIS 18 Cb 0.13 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 30.75 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 -4.93 -0.37 0.03 2.41 0.20 -1.26 -1.67 118.68 113.10 1xja s LEU 19 Ca -0.07 1.16 0.01 0.00 0.69 0.00 0.00 54.13 55.92 1xja s LEU 19 Cb 0.03 1.85 -0.02 0.00 -0.43 0.00 0.00 46.19 47.62 1xja s LEU 19 CO 0.30 -0.21 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.41 1xja s VAL 20 N 1.11 0.35 0.15 1.68 1.01 -0.13 -4.80 120.40 119.76 1xja s VAL 20 Ca -0.07 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 1xja s VAL 20 Cb -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1xja s VAL 20 CO -0.11 -0.42 0.20 0.00 0.00 0.00 0.00 175.10 174.78 1xja s ALA 21 N -1.38 0.28 0.28 5.51 0.00 -1.26 0.20 121.76 125.39 1xja s ALA 21 Ca -0.12 -1.07 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 1xja s ALA 21 Cb -0.10 0.83 0.06 0.00 0.00 0.00 0.00 23.12 23.92 1xja s ALA 21 CO -0.00 -0.58 0.91 0.20 0.00 0.00 0.00 175.76 176.28 1xja s GLY 22 N -2.99 0.21 -0.03 0.00 0.00 -0.58 -4.80 107.32 99.14 1xja s GLY 22 Ca 0.19 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.43 1xja s GLY 22 CO -0.00 0.96 -0.14 -2.27 0.00 0.00 0.00 173.10 171.65 1xja s LEU 23 N -3.21 1.91 -0.41 0.66 2.96 -1.26 -1.60 118.68 117.73 1xja s LEU 23 Ca 0.18 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1xja s LEU 23 Cb -0.04 -0.77 0.12 0.00 0.50 0.00 0.00 46.19 46.01 1xja s LEU 23 CO 0.08 0.13 0.19 -0.89 -1.32 0.00 0.00 176.35 174.55 1xja s THR 24 N -0.04 1.48 -0.66 3.68 2.01 0.09 -5.01 115.64 117.18 1xja s THR 24 Ca -0.01 -2.36 -0.22 0.00 0.31 0.00 0.00 61.69 59.42 1xja s THR 24 Cb -0.09 -2.05 0.08 0.00 0.01 0.00 0.00 72.50 70.45 1xja s THR 24 CO 0.01 -0.81 0.94 -2.16 -0.69 0.00 0.00 174.62 171.90 1xja s PRO 25 N 0.61 3.12 -0.12 4.92 0.04 -1.26 -2.03 135.00 140.29 1xja s PRO 25 Ca 0.15 -0.95 -0.21 0.00 0.04 0.00 0.00 61.00 60.03 1xja s PRO 25 Cb -0.23 -4.27 -0.03 0.00 0.04 0.00 0.00 34.50 30.01 1xja s PRO 25 CO -0.06 -1.78 0.63 0.42 0.04 0.00 0.00 177.00 176.25 1xja s ILE 26 N 3.80 5.07 -0.12 0.56 1.01 -0.99 -4.95 121.20 125.59 1xja s ILE 26 Ca 0.21 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 62.10 1xja s ILE 26 Cb -0.17 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1xja s ILE 26 CO 0.09 0.23 -0.06 -1.61 0.00 0.00 0.00 174.94 173.58 1xja s GLU 27 N 1.07 3.28 0.19 2.79 0.41 -1.26 -1.75 118.70 123.43 1xja s GLU 27 Ca 0.32 -0.55 -0.33 0.00 -0.41 0.00 0.00 54.97 54.00 1xja s GLU 27 Cb -0.16 -2.75 -0.15 0.00 -1.78 0.00 0.00 34.13 29.29 1xja s GLU 27 CO 0.14 0.40 1.35 0.00 -0.49 0.00 0.00 175.26 176.66 1xja n ALA 28 N 3.03 0.35 -0.85 5.21 0.00 -0.38 -0.76 120.51 127.11 1xja n ALA 28 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1xja n ALA 28 Cb 0.53 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.35 -2.23 -3.46 0.00 3.02 -1.26 -5.01 115.26 108.67 1xja n ASN 29 Ca 0.14 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.49 1xja n ASN 29 Cb 0.28 -1.82 0.13 0.00 -0.61 0.00 0.00 39.78 37.75 1xja n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xja n GLY 30 N -1.38 -0.90 0.24 7.41 0.00 0.06 -4.90 105.19 105.72 1xja n GLY 30 Ca 0.00 -1.77 0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.31 0.84 -0.02 1.61 2.07 -1.95 -2.28 116.25 115.22 1xja h VAL 31 Ca -0.29 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1xja h VAL 31 Cb 0.85 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1xja h VAL 31 CO 0.22 0.15 -0.01 0.18 0.02 0.00 0.00 177.57 178.13 1xja n LEU 32 N -3.98 1.62 -3.63 2.57 4.77 -1.26 -4.75 117.00 112.34 1xja n LEU 32 Ca -0.02 -0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 55.01 1xja n LEU 32 Cb 0.24 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1xja n LEU 32 CO 0.33 0.27 2.52 -0.67 -1.33 0.00 0.00 177.39 178.51 1xja n ASP 33 N 0.25 3.78 -4.02 -1.43 2.03 -0.86 -4.82 116.55 111.48 1xja n ASP 33 Ca 0.18 -2.74 -0.11 0.00 0.52 0.00 0.00 54.79 52.64 1xja n ASP 33 Cb 0.38 -1.43 -0.08 0.00 -0.72 0.00 0.00 41.12 39.27 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 3.78 0.88 -0.03 -0.67 -0.12 -1.26 -4.85 117.98 115.70 1xja s PHE 34 Ca 0.52 -1.14 -0.13 0.00 -0.05 0.00 0.00 56.93 56.13 1xja s PHE 34 Cb 0.14 -0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.23 1xja s PHE 34 CO -0.01 -0.82 0.34 -0.06 -0.05 0.00 0.00 175.22 174.62 1xja s PHE 35 N -4.00 3.69 -0.20 3.49 0.40 -1.26 -4.57 117.98 115.53 1xja s PHE 35 Ca 0.32 0.87 -0.17 0.00 -0.60 0.00 0.00 56.93 57.35 1xja s PHE 35 Cb 0.03 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1xja s PHE 35 CO 0.12 0.67 0.43 0.42 0.70 0.00 0.00 175.22 177.56 1xja s ILE 36 N -1.08 5.17 -0.19 0.64 1.01 0.13 -4.91 121.20 121.96 1xja s ILE 36 Ca 0.22 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.65 1xja s ILE 36 Cb -0.15 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.59 1xja s ILE 36 CO 0.11 0.23 -0.11 -0.62 0.00 0.00 0.00 174.94 174.55 1xja s ASP 37 N 1.09 3.24 -0.48 3.58 2.15 -1.26 -2.01 116.67 122.97 1xja s ASP 37 Ca 0.20 -0.80 0.03 0.00 0.43 0.00 0.00 52.55 52.41 1xja s ASP 37 Cb -0.15 -1.21 0.14 0.00 -0.30 0.00 0.00 42.92 41.40 1xja s ASP 37 CO 0.09 -0.13 0.27 -0.13 -0.17 0.00 0.00 175.17 175.10 1xja s ARG 38 N 1.42 1.54 0.32 4.34 0.52 0.12 -5.00 118.95 122.21 1xja s ARG 38 Ca 0.00 -2.28 0.02 0.00 -0.52 0.00 0.00 55.73 52.96 1xja s ARG 38 Cb -0.15 -2.61 0.59 0.00 0.52 0.00 0.00 34.95 33.29 1xja s ARG 38 CO -0.09 -1.17 1.92 -1.00 0.02 0.00 0.00 175.30 174.98 1xja h PRO 39 N 6.50 0.92 -0.53 3.54 0.13 -1.93 -1.71 132.00 138.91 1xja h PRO 39 Ca 0.00 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 1xja h PRO 39 Cb 0.90 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 31.76 1xja h PRO 39 CO 0.55 0.61 0.10 1.28 -0.23 0.00 0.00 178.00 180.31 1xja n LEU 40 N -4.49 5.22 0.00 1.56 4.77 -1.26 -4.51 117.00 118.28 1xja n LEU 40 Ca 0.13 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 1xja n LEU 40 Cb 0.22 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1xja n LEU 40 CO 0.33 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1xja n GLY 41 N -0.18 0.98 3.32 -0.72 0.00 -0.82 -4.43 105.19 103.35 1xja n GLY 41 Ca 0.32 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 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 1.27 0.41 1.61 1.00 -1.26 -4.84 119.30 117.49 1xja s MET 42 Ca 0.00 -1.59 0.22 0.00 0.00 0.00 0.00 55.69 54.32 1xja s MET 42 Cb 0.00 -0.86 0.74 0.00 0.00 0.00 0.00 34.83 34.71 1xja s MET 42 CO 0.00 0.07 1.75 0.87 0.00 0.00 0.00 175.02 177.72 1xja h LYS 43 N 2.58 0.00 0.00 2.03 1.57 -1.95 -0.30 116.57 120.49 1xja h LYS 43 Ca -0.38 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1xja h LYS 43 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xja h LYS 43 CO 0.64 0.28 -0.01 0.41 -0.57 0.00 0.00 179.45 180.19 1xja n GLY 44 N 0.35 3.33 3.89 3.86 0.00 -1.26 -4.71 105.19 110.65 1xja n GLY 44 Ca 0.00 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.32 3.53 -0.05 1.61 1.51 0.03 -3.53 117.35 120.13 1xja s TYR 45 Ca 0.01 0.56 0.03 0.00 -1.01 0.00 0.00 57.07 56.66 1xja s TYR 45 Cb -0.00 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1xja s TYR 45 CO 0.00 0.53 -0.13 0.42 -1.11 0.00 0.00 175.55 175.26 1xja s ILE 46 N -1.48 1.18 -0.14 2.71 1.01 -0.75 -0.81 121.20 122.92 1xja s ILE 46 Ca 0.35 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1xja s ILE 46 Cb -0.13 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 1xja s ILE 46 CO 0.21 0.36 -0.16 -0.76 0.00 0.00 0.00 174.94 174.59 1xja s LEU 47 N 0.43 2.46 -0.15 2.97 1.43 -0.69 -0.88 118.68 124.26 1xja s LEU 47 Ca -0.10 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1xja s LEU 47 Cb -0.14 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1xja s LEU 47 CO 0.03 0.11 -0.21 0.21 0.23 0.00 0.00 176.35 176.72 1xja s ASN 48 N 0.67 3.18 -0.16 2.29 3.84 -0.45 -1.30 114.94 123.01 1xja s ASN 48 Ca -0.08 -0.60 -0.01 0.00 0.21 0.00 0.00 52.86 52.38 1xja s ASN 48 Cb -0.16 -1.47 -0.01 0.00 -0.55 0.00 0.00 41.25 39.07 1xja s ASN 48 CO 0.02 0.06 -0.11 -0.22 -2.79 0.00 0.00 177.10 174.06 1xja s LEU 49 N 0.92 2.68 -0.14 3.21 2.96 0.06 -1.36 118.68 127.01 1xja s LEU 49 Ca -0.04 -0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 53.23 1xja s LEU 49 Cb -0.15 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1xja s LEU 49 CO -0.04 0.09 0.79 -0.89 -1.32 0.00 0.00 176.35 174.98 1xja s THR 50 N 0.80 4.93 -0.04 3.68 2.01 -1.03 -0.27 115.64 125.72 1xja s THR 50 Ca -0.04 1.56 0.11 0.00 0.31 0.00 0.00 61.69 63.63 1xja s THR 50 Cb -0.15 -4.10 -0.16 0.00 0.01 0.00 0.00 72.50 68.09 1xja s THR 50 CO 0.01 0.09 0.19 2.30 -0.69 0.00 0.00 174.62 176.52 1xja n ILE 51 N 4.50 0.18 -3.73 1.82 -5.35 0.18 -0.31 119.36 116.65 1xja n ILE 51 Ca 0.03 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.07 1xja n ILE 51 Cb 0.49 -0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.29 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 -2.65 0.48 2.26 6.28 0.52 -1.06 -4.81 118.95 119.97 1xja s ARG 52 Ca -0.04 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1xja s ARG 52 Cb 0.06 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.77 1xja s ARG 52 CO 0.46 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1xja n GLY 53 N 2.86 -1.18 2.99 -3.53 0.00 -1.26 -0.55 105.19 104.51 1xja n GLY 53 Ca -0.13 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 0.32 0.18 1.61 -0.21 -1.03 -3.87 119.66 116.66 1xja s GLN 54 Ca 0.00 -0.60 0.08 0.00 0.02 0.00 0.00 55.36 54.86 1xja s GLN 54 Cb 0.00 0.11 -0.04 0.00 1.00 0.00 0.00 33.01 34.08 1xja s GLN 54 CO 0.00 -0.05 -0.15 0.20 -2.12 0.00 0.00 175.29 173.16 1xja s GLY 55 N -1.46 1.37 -0.15 3.09 0.00 -0.91 -0.93 107.32 108.33 1xja s GLY 55 Ca -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1xja s GLY 55 CO -0.01 -1.65 -0.14 0.54 0.00 0.00 0.00 173.10 171.84 1xja s VAL 56 N -2.65 2.80 -0.20 1.40 0.11 -0.51 -1.01 120.40 120.34 1xja s VAL 56 Ca 0.19 -0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 58.44 1xja s VAL 56 Cb -0.02 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 1xja s VAL 56 CO 0.06 0.51 0.05 -0.69 -3.33 0.00 0.00 175.10 171.70 1xja s VAL 57 N 0.71 4.50 0.06 2.04 1.01 0.16 -2.81 120.40 126.07 1xja s VAL 57 Ca -0.07 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1xja s VAL 57 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1xja s VAL 57 CO 0.02 0.43 -0.14 -0.54 0.00 0.00 0.00 175.10 174.87 1xja s LYS 58 N 0.72 2.12 -0.29 2.72 1.02 0.11 -1.31 119.74 124.81 1xja s LYS 58 Ca 0.02 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 55.06 1xja s LYS 58 Cb -0.14 -2.26 0.20 0.00 -0.52 0.00 0.00 37.83 35.11 1xja s LYS 58 CO 0.02 0.53 0.61 1.21 -0.92 0.00 0.00 175.35 176.80 1xja s ASN 59 N -1.73 -1.51 -1.22 2.83 3.84 -0.76 -4.28 114.94 112.11 1xja s ASN 59 Ca 0.17 0.43 -0.10 0.00 0.21 0.00 0.00 52.86 53.57 1xja s ASN 59 Cb -0.11 2.06 -0.01 0.00 -0.55 0.00 0.00 41.25 42.64 1xja s ASN 59 CO 0.08 -0.28 0.73 0.00 -2.79 0.00 0.00 177.10 174.84 1xja n GLN 60 N 5.42 -2.70 0.00 0.43 6.02 -1.26 -1.99 117.38 123.30 1xja n GLN 60 Ca 0.03 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1xja n GLN 60 Cb 0.53 -4.68 0.00 0.00 1.02 0.00 0.00 30.24 27.11 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 -1.64 3.00 3.87 1.08 0.00 -1.26 -5.01 105.19 105.22 1xja n GLY 61 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.09 3.87 0.13 1.61 0.52 -0.84 -5.09 118.95 119.06 1xja s ARG 62 Ca 0.00 0.48 0.07 0.00 -0.52 0.00 0.00 55.73 55.76 1xja s ARG 62 Cb 0.00 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1xja s ARG 62 CO 0.00 0.14 -0.16 -1.21 0.02 0.00 0.00 175.30 174.09 1xja s GLU 63 N -3.24 1.11 -0.12 3.54 2.02 -1.26 -1.83 118.70 118.91 1xja s GLU 63 Ca 0.51 -1.29 -0.10 0.00 0.02 0.00 0.00 54.97 54.11 1xja s GLU 63 Cb -0.10 -1.08 0.03 0.00 0.10 0.00 0.00 34.13 33.08 1xja s GLU 63 CO 0.23 0.21 0.32 0.12 0.02 0.00 0.00 175.26 176.17 1xja s PHE 64 N -2.03 -0.37 -0.29 1.61 5.36 -0.43 -4.97 117.98 116.85 1xja s PHE 64 Ca 0.11 0.89 -0.08 0.00 -0.96 0.00 0.00 56.93 56.89 1xja s PHE 64 Cb -0.06 0.13 -0.00 0.00 -0.34 0.00 0.00 43.02 42.75 1xja s PHE 64 CO 0.04 -0.19 0.10 0.08 -1.46 0.00 0.00 175.22 173.80 1xja s VAL 65 N 0.37 4.24 -0.09 3.12 1.01 -1.26 0.37 120.40 128.16 1xja s VAL 65 Ca -0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1xja s VAL 65 Cb -0.03 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1xja s VAL 65 CO -0.01 0.11 0.44 0.00 0.00 0.00 0.00 175.10 175.64 1xja s ARG 67 N 0.22 2.44 0.03 0.00 1.81 -1.26 -2.14 118.95 120.04 1xja s ARG 67 Ca 0.24 -1.46 -0.39 0.00 -1.72 0.00 0.00 55.73 52.40 1xja s ARG 67 Cb -0.15 -2.24 -0.19 0.00 -0.45 0.00 0.00 34.95 31.92 1xja s ARG 67 CO 0.10 0.17 1.17 -2.30 -0.68 0.00 0.00 175.30 173.76 1xja n PRO 68 N -1.14 0.42 -0.01 3.54 -0.02 -1.25 -0.43 135.00 136.09 1xja n PRO 68 Ca -0.04 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1xja n PRO 68 Cb 0.60 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.87 1.05 3.73 -1.23 0.00 0.58 -4.99 105.19 106.20 1xja n GLY 69 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.72 7.51 -0.19 1.61 1.01 0.42 -4.40 116.67 119.91 1xja s ASP 70 Ca 0.00 1.82 -0.01 0.00 0.71 0.00 0.00 52.55 55.08 1xja s ASP 70 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 1xja s ASP 70 CO 0.00 -0.04 -0.14 -0.63 0.21 0.00 0.00 175.17 174.57 1xja s ILE 71 N -0.18 2.55 -0.03 0.77 1.01 -0.09 -2.47 121.20 122.77 1xja s ILE 71 Ca 0.46 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1xja s ILE 71 Cb -0.24 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1xja s ILE 71 CO 0.30 0.50 0.05 -0.76 0.00 0.00 0.00 174.94 175.03 1xja s LEU 72 N 1.35 3.79 -0.21 2.97 1.02 -0.46 -0.00 118.68 127.13 1xja s LEU 72 Ca 0.05 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.35 1xja s LEU 72 Cb -0.13 -2.12 0.04 0.00 0.02 0.00 0.00 46.19 44.00 1xja s LEU 72 CO -0.09 0.30 -0.15 -0.22 0.02 0.00 0.00 176.35 176.21 1xja s LEU 73 N -1.49 2.63 -0.44 1.79 2.96 0.29 -1.34 118.68 123.08 1xja s LEU 73 Ca 0.20 -0.97 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 1xja s LEU 73 Cb -0.12 -1.45 0.11 0.00 0.50 0.00 0.00 46.19 45.24 1xja s LEU 73 CO 0.10 -0.10 0.29 -0.36 -1.32 0.00 0.00 176.35 174.96 1xja s PHE 74 N 1.25 3.47 1.15 5.38 0.40 -0.06 0.06 117.98 129.64 1xja s PHE 74 Ca -0.01 -2.02 -0.15 0.00 -0.60 0.00 0.00 56.93 54.14 1xja s PHE 74 Cb -0.16 -3.35 0.26 0.00 0.51 0.00 0.00 43.02 40.28 1xja s PHE 74 CO -0.09 -0.97 1.06 -2.14 0.70 0.00 0.00 175.22 173.77 1xja s PRO 75 N 1.29 -0.80 0.46 0.24 0.02 -1.26 -1.80 135.00 133.15 1xja s PRO 75 Ca 0.06 0.40 -0.25 0.00 0.02 0.00 0.00 61.00 61.24 1xja s PRO 75 Cb -0.25 -1.60 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1xja s PRO 75 CO -0.02 -3.54 1.41 -2.14 -0.33 0.00 0.00 177.00 172.39 1xja s PRO 76 N -4.93 3.61 0.00 5.54 0.02 -1.23 -2.58 135.00 135.42 1xja s PRO 76 Ca 0.68 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.07 1xja s PRO 76 Cb -0.18 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.75 1xja s PRO 76 CO 0.59 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 1xja n GLY 77 N 0.60 2.24 3.76 0.52 0.00 -0.12 -4.92 105.19 107.26 1xja n GLY 77 Ca 0.06 0.00 -0.35 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 2.99 0.42 1.61 2.56 -1.07 -4.07 118.70 121.15 1xja s GLU 78 Ca 0.00 1.74 -0.25 0.00 0.00 0.00 0.00 54.97 56.46 1xja s GLU 78 Cb 0.00 -1.94 -0.08 0.00 2.00 0.00 0.00 34.13 34.11 1xja s GLU 78 CO 0.00 -1.17 1.25 0.42 -0.56 0.00 0.00 175.26 175.20 1xja s ILE 79 N -1.72 2.82 -0.11 -3.70 1.01 -1.26 -3.19 121.20 115.04 1xja s ILE 79 Ca 0.75 0.70 0.02 0.00 0.00 0.00 0.00 60.65 62.12 1xja s ILE 79 Cb -0.28 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1xja s ILE 79 CO 0.33 0.07 -0.17 -1.00 0.00 0.00 0.00 174.94 174.17 1xja s HIS 80 N -1.34 2.11 -0.30 3.97 3.76 -0.71 -4.93 115.29 117.85 1xja s HIS 80 Ca 0.59 -0.98 -0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1xja s HIS 80 Cb -0.35 -1.49 0.19 0.00 1.11 0.00 0.00 32.58 32.04 1xja s HIS 80 CO 0.44 -0.48 0.68 -1.58 -0.85 0.00 0.00 174.74 172.95 1xja s HIS 81 N 0.88 -1.46 -0.01 1.40 5.04 -1.23 0.10 115.29 120.01 1xja s HIS 81 Ca -0.08 1.37 -0.28 0.00 -1.54 0.00 0.00 55.06 54.52 1xja s HIS 81 Cb -0.15 0.44 0.10 0.00 0.04 0.00 0.00 32.58 33.01 1xja s HIS 81 CO -0.00 -0.81 0.83 1.52 -2.34 0.00 0.00 174.74 173.94 1xja s TYR 82 N 2.87 -0.42 0.15 3.88 -0.85 -0.85 -0.72 117.35 121.41 1xja s TYR 82 Ca 0.16 0.42 -0.19 0.00 -0.52 0.00 0.00 57.07 56.93 1xja s TYR 82 Cb -0.13 0.51 0.07 0.00 0.38 0.00 0.00 41.96 42.79 1xja s TYR 82 CO -0.21 -0.57 0.92 0.41 -1.52 0.00 0.00 175.55 174.59 1xja n GLY 83 N 0.04 0.65 3.72 5.49 0.00 -1.12 -0.70 105.19 113.27 1xja n GLY 83 Ca -0.12 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1xja n GLY 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xja n ARG 84 N -0.65 2.03 -2.32 1.61 0.63 -1.26 -1.43 116.66 115.28 1xja n ARG 84 Ca -0.01 0.72 -0.42 0.00 -0.92 0.00 0.00 57.85 57.22 1xja n ARG 84 Cb 0.51 -2.46 -0.03 0.00 0.45 0.00 0.00 32.46 30.93 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 -1.19 3.23 0.58 -0.14 5.65 -0.11 -4.54 115.29 118.77 1xja s HIS 85 Ca 0.61 1.10 0.32 0.00 0.25 0.00 0.00 55.06 57.33 1xja s HIS 85 Cb -0.49 -3.54 1.38 0.00 -1.18 0.00 0.00 32.58 28.75 1xja s HIS 85 CO 0.58 -1.82 1.72 -1.00 -0.65 0.00 0.00 174.74 173.57 1xja h PRO 86 N 7.10 0.00 -0.02 2.88 0.13 -1.91 0.87 132.00 141.05 1xja h PRO 86 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1xja h PRO 86 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xja h PRO 86 CO 0.85 0.00 -0.08 0.39 -0.23 0.00 0.00 178.00 178.93 1xja n GLU 87 N -3.74 1.80 -3.79 0.86 1.02 -1.26 -4.89 120.64 110.63 1xja n GLU 87 Ca 0.18 -1.31 -0.37 0.00 -0.02 0.00 0.00 57.16 55.65 1xja n GLU 87 Cb 1.10 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.99 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 -2.10 3.84 0.36 0.62 0.00 0.30 -4.97 121.76 119.81 1xja s ALA 88 Ca 0.30 -0.54 0.22 0.00 0.00 0.00 0.00 51.96 51.94 1xja s ALA 88 Cb 0.20 -2.06 1.13 0.00 0.00 0.00 0.00 23.12 22.39 1xja s ALA 88 CO 0.37 0.59 1.96 0.00 0.00 0.00 0.00 175.76 178.68 1xja h ARG 89 N 4.90 0.00 -2.98 0.00 2.47 -1.90 -3.45 114.38 113.43 1xja h ARG 89 Ca -0.54 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.20 1xja h ARG 89 Cb 1.23 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 1xja h ARG 89 CO 0.59 0.21 0.27 -1.83 0.56 0.00 0.00 179.97 179.76 1xja s GLU 90 N -4.15 2.01 -0.34 0.04 1.03 -1.26 -1.25 118.70 114.78 1xja s GLU 90 Ca -0.02 -1.22 0.02 0.00 0.03 0.00 0.00 54.97 53.77 1xja s GLU 90 Cb 0.13 0.61 0.15 0.00 -0.80 0.00 0.00 34.13 34.22 1xja s GLU 90 CO 0.64 -0.93 0.33 -0.46 -1.33 0.00 0.00 175.26 173.51 1xja s TRP 91 N -3.00 -0.27 -0.18 4.83 -0.00 -0.71 -2.47 118.94 117.13 1xja s TRP 91 Ca 0.14 -0.66 -0.15 0.00 -0.00 0.00 0.00 56.10 55.43 1xja s TRP 91 Cb -0.05 -0.47 -0.04 0.00 -0.00 0.00 0.00 33.47 32.90 1xja s TRP 91 CO 0.09 -0.94 0.35 0.71 -0.00 0.00 0.00 176.95 177.16 1xja s TYR 92 N 1.74 3.41 0.00 5.86 1.51 0.28 -2.35 117.35 127.81 1xja s TYR 92 Ca 0.14 0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 56.73 1xja s TYR 92 Cb -0.15 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1xja s TYR 92 CO -0.14 0.09 0.14 -3.38 -1.11 0.00 0.00 175.55 171.15 1xja s HIS 93 N 0.96 0.04 0.12 2.71 -3.43 -0.86 -0.64 115.29 114.18 1xja s HIS 93 Ca 0.18 -0.13 0.04 0.00 -0.80 0.00 0.00 55.06 54.35 1xja s HIS 93 Cb -0.14 -0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 1xja s HIS 93 CO 0.07 -0.29 0.10 -0.65 -2.00 0.00 0.00 174.74 171.97 1xja s GLN 94 N -1.38 2.87 0.02 -0.38 -0.21 0.63 -0.73 119.66 120.47 1xja s GLN 94 Ca -0.15 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 1xja s GLN 94 Cb -0.08 -2.68 -0.02 0.00 1.00 0.00 0.00 33.01 31.24 1xja s GLN 94 CO 0.02 0.53 -0.01 1.67 -2.12 0.00 0.00 175.29 175.38 1xja s TRP 95 N -1.55 0.22 -0.09 0.91 1.48 -0.62 -0.76 118.94 118.52 1xja s TRP 95 Ca 0.30 -0.46 0.01 0.00 -1.06 0.00 0.00 56.10 54.88 1xja s TRP 95 Cb -0.11 -0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.05 1xja s TRP 95 CO 0.22 -0.20 -0.09 0.08 -4.06 0.00 0.00 176.95 172.90 1xja s VAL 96 N -1.43 1.04 -0.26 -0.66 1.01 -0.42 -1.52 120.40 118.16 1xja s VAL 96 Ca -0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1xja s VAL 96 Cb -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1xja s VAL 96 CO -0.01 0.36 0.04 -0.47 0.00 0.00 0.00 175.10 175.02 1xja s TYR 97 N 1.27 3.07 0.19 5.22 5.04 0.13 -1.70 117.35 130.58 1xja s TYR 97 Ca -0.03 -0.78 -0.09 0.00 -2.44 0.00 0.00 57.07 53.73 1xja s TYR 97 Cb -0.14 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 1xja s TYR 97 CO -0.03 -0.49 0.33 -0.59 -1.34 0.00 0.00 175.55 173.42 1xja s PHE 98 N 1.53 0.45 -0.24 4.97 -0.71 0.01 -0.96 117.98 123.04 1xja s PHE 98 Ca 0.05 -0.80 -0.01 0.00 -1.04 0.00 0.00 56.93 55.14 1xja s PHE 98 Cb -0.16 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.66 1xja s PHE 98 CO 0.01 -0.79 -0.09 1.03 -1.34 0.00 0.00 175.22 174.04 1xja s ARG 99 N -4.00 2.79 0.70 1.99 0.52 -0.67 -0.79 118.95 119.50 1xja s ARG 99 Ca 0.21 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 1xja s ARG 99 Cb 0.02 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.62 1xja s ARG 99 CO 0.04 -0.38 1.09 -1.25 0.02 0.00 0.00 175.30 174.81 1xja s PRO 100 N 1.29 2.65 0.57 3.54 0.04 -1.26 -4.88 135.00 136.96 1xja s PRO 100 Ca -0.00 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.10 1xja s PRO 100 Cb -0.16 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1xja s PRO 100 CO -0.06 -1.34 1.03 1.03 0.04 0.00 0.00 177.00 177.69 1xja s ARG 101 N -4.57 3.56 0.25 4.56 0.52 -1.26 -4.94 118.95 117.06 1xja s ARG 101 Ca 0.63 1.04 -0.05 0.00 -0.52 0.00 0.00 55.73 56.83 1xja s ARG 101 Cb -0.18 -2.07 0.47 0.00 0.52 0.00 0.00 34.95 33.69 1xja s ARG 101 CO 0.49 -0.60 1.69 0.00 0.02 0.00 0.00 175.30 176.91 1xja h ALA 102 N 0.44 0.99 0.00 2.13 0.00 -2.05 -1.45 119.26 119.32 1xja h ALA 102 Ca -0.46 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xja h ALA 102 Cb 1.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xja h ALA 102 CO 0.59 -0.32 0.00 2.48 0.00 0.00 0.00 179.25 182.01 1xja n TYR 103 N -5.12 0.00 0.05 0.00 4.11 -1.26 -3.31 117.16 111.63 1xja n TYR 103 Ca 0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.97 1xja n TYR 103 Cb 0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 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 0.01 -0.78 -3.48 4.06 -1.63 -3.38 115.95 110.77 1xja h TRP 104 Ca 0.00 -0.01 0.18 0.00 2.06 0.00 0.00 58.89 61.12 1xja h TRP 104 Cb 0.00 -0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.01 1xja h TRP 104 CO 0.00 1.01 -0.10 0.72 -3.56 0.00 0.00 178.44 176.51 1xja n HIS 105 N -3.33 0.38 0.33 0.49 8.25 -1.21 0.15 115.22 120.28 1xja n HIS 105 Ca -0.02 0.94 0.05 0.00 -0.26 0.00 0.00 57.72 58.44 1xja n HIS 105 Cb 0.95 -1.01 0.24 0.00 1.12 0.00 0.00 29.99 31.29 1xja n HIS 105 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1xja n GLU 106 N -5.19 0.02 -0.01 -0.41 1.02 -1.26 -1.65 120.64 113.16 1xja n GLU 106 Ca 0.15 0.35 0.08 0.00 -0.02 0.00 0.00 57.16 57.72 1xja n GLU 106 Cb 0.48 -1.54 0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1xja n GLU 106 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1xja n TRP 107 N -1.58 0.03 -0.75 -0.32 8.01 0.40 -4.41 117.44 118.82 1xja n TRP 107 Ca 0.02 -0.02 0.08 0.00 -1.31 0.00 0.00 57.50 56.27 1xja n TRP 107 Cb 0.12 -0.00 0.25 0.00 -2.01 0.00 0.00 31.31 29.67 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 0.93 3.87 -3.80 -0.99 4.77 -0.66 -4.74 117.00 116.38 1xja n LEU 108 Ca 0.10 -2.71 -0.41 0.00 -0.03 0.00 0.00 56.01 52.95 1xja n LEU 108 Cb 0.42 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1xja n LEU 108 CO 0.10 0.70 1.22 0.59 -1.33 0.00 0.00 177.39 178.67 1xja n ASN 109 N -0.03 6.74 -4.81 -1.43 3.02 -1.25 -5.02 115.26 112.48 1xja n ASN 109 Ca 0.20 -3.54 -0.33 0.00 -0.03 0.00 0.00 54.58 50.88 1xja n ASN 109 Cb 0.80 -1.20 -0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1xja n ASN 109 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1xja s TRP 110 N -3.49 3.10 0.78 3.10 0.52 -1.26 -5.02 118.94 116.67 1xja s TRP 110 Ca 0.35 1.51 -0.14 0.00 0.02 0.00 0.00 56.10 57.84 1xja s TRP 110 Cb 0.12 -2.96 0.06 0.00 -1.15 0.00 0.00 33.47 29.54 1xja s TRP 110 CO -0.00 -0.90 1.22 -2.14 0.02 0.00 0.00 176.95 175.14 1xja s PRO 111 N -3.99 1.83 0.24 4.98 0.02 -1.26 -4.64 135.00 132.17 1xja s PRO 111 Ca 0.63 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.53 1xja s PRO 111 Cb -0.15 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1xja s PRO 111 CO 0.34 -2.08 -0.02 -1.54 -0.33 0.00 0.00 177.00 173.37 1xja s SER 112 N -2.05 4.52 0.06 2.53 1.04 -1.26 -1.06 113.70 117.48 1xja s SER 112 Ca 0.74 -0.60 0.16 0.00 0.48 0.00 0.00 55.95 56.74 1xja s SER 112 Cb -0.30 -0.85 -0.14 0.00 0.10 0.00 0.00 66.02 64.84 1xja s SER 112 CO 0.48 0.03 0.83 0.16 0.98 0.00 0.00 173.24 175.73 1xja h ILE 113 N 2.11 0.55 -1.51 -1.02 3.07 -1.56 -3.47 117.51 115.69 1xja h ILE 113 Ca -0.45 -2.08 0.20 0.00 1.55 0.00 0.00 64.86 64.08 1xja h ILE 113 Cb 1.24 2.09 -0.21 0.00 -0.27 0.00 0.00 36.82 39.67 1xja h ILE 113 CO 0.59 0.31 0.75 0.72 -1.05 0.00 0.00 178.15 179.48 1xja s PHE 114 N -2.89 -0.18 0.00 0.16 -0.12 -1.26 -5.06 117.98 108.63 1xja s PHE 114 Ca -0.03 0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.05 1xja s PHE 114 Cb 0.09 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1xja s PHE 114 CO 0.81 -0.24 0.00 0.00 -0.05 0.00 0.00 175.22 175.74 1xja n ALA 115 N 0.17 0.00 -2.37 1.99 0.00 -1.26 -0.96 120.51 118.07 1xja n ALA 115 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1xja n ALA 115 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 4.93 3.72 -4.42 0.00 4.05 -1.26 -4.88 115.26 117.41 1xja n ASN 116 Ca 0.00 -3.22 -0.43 0.00 0.45 0.00 0.00 54.58 51.38 1xja n ASN 116 Cb 0.00 -0.42 -0.10 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 -4.44 5.12 0.72 -0.44 2.01 -0.14 -4.38 115.64 114.09 1xja s THR 117 Ca 0.42 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 1xja s THR 117 Cb 0.39 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1xja s THR 117 CO -0.02 -0.38 1.09 -0.83 -0.69 0.00 0.00 174.62 173.79 1xja s GLY 118 N 1.92 1.85 -0.10 4.40 0.00 0.11 -1.46 107.32 114.04 1xja s GLY 118 Ca 0.04 0.35 -0.09 0.00 0.00 0.00 0.00 44.72 45.02 1xja s GLY 118 CO 0.08 0.69 0.27 -0.12 0.00 0.00 0.00 173.10 174.03 1xja s PHE 119 N -2.71 -0.30 -0.19 1.90 2.19 -0.22 -0.55 117.98 118.10 1xja s PHE 119 Ca 0.63 0.74 -0.04 0.00 0.33 0.00 0.00 56.93 58.59 1xja s PHE 119 Cb -0.18 0.10 0.09 0.00 -1.31 0.00 0.00 43.02 41.72 1xja s PHE 119 CO 0.50 -0.15 0.24 0.12 1.83 0.00 0.00 175.22 177.77 1xja s PHE 120 N 0.16 -0.36 -0.35 10.12 5.36 1.00 -4.46 117.98 129.44 1xja s PHE 120 Ca -0.00 0.44 -0.03 0.00 -0.96 0.00 0.00 56.93 56.37 1xja s PHE 120 Cb -0.02 -0.26 0.07 0.00 -0.34 0.00 0.00 43.02 42.47 1xja s PHE 120 CO 0.00 -0.56 0.10 0.50 -1.46 0.00 0.00 175.22 173.80 1xja s ARG 121 N 2.37 2.33 0.83 10.12 3.52 -1.26 -0.91 118.95 135.95 1xja s ARG 121 Ca 0.06 -1.44 -0.11 0.00 -0.13 0.00 0.00 55.73 54.12 1xja s ARG 121 Cb -0.15 -3.40 0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1xja s ARG 121 CO -0.12 -0.80 1.10 -2.14 -0.81 0.00 0.00 175.30 172.53 1xja s PRO 122 N 1.25 1.77 1.14 5.12 0.02 -1.26 -5.02 135.00 138.03 1xja s PRO 122 Ca 0.00 1.10 -0.13 0.00 0.02 0.00 0.00 61.00 62.00 1xja s PRO 122 Cb -0.21 -1.85 0.27 0.00 0.02 0.00 0.00 34.50 32.73 1xja s PRO 122 CO -0.01 -1.97 1.04 -0.51 -0.33 0.00 0.00 177.00 175.22 1xja s ASP 123 N -3.31 1.23 0.59 2.53 1.01 -1.26 -4.65 116.67 112.81 1xja s ASP 123 Ca 0.63 1.46 0.38 0.00 0.71 0.00 0.00 52.55 55.72 1xja s ASP 123 Cb -0.18 -2.22 1.77 0.00 1.01 0.00 0.00 42.92 43.30 1xja s ASP 123 CO 0.57 -4.04 2.13 1.05 0.21 0.00 0.00 175.17 175.09 1xja h GLU 124 N -2.51 0.00 0.05 8.23 9.09 -2.01 -1.70 114.58 125.74 1xja h GLU 124 Ca -0.60 0.00 -0.27 0.00 0.05 0.00 0.00 59.36 58.54 1xja h GLU 124 Cb 1.33 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.41 1xja h GLU 124 CO 0.52 0.00 -1.36 0.00 0.05 0.00 0.00 179.01 178.22 1xja h ALA 125 N 2.00 0.38 0.00 1.06 0.00 -2.03 -3.37 119.26 117.30 1xja h ALA 125 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1xja h ALA 125 Cb 0.31 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xja h ALA 125 CO 0.00 1.25 -1.47 0.72 0.00 0.00 0.00 179.25 179.75 1xja n HIS 126 N -3.34 0.37 -0.19 0.00 8.25 -1.02 -4.52 115.22 114.76 1xja n HIS 126 Ca -0.10 0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1xja n HIS 126 Cb 1.01 -0.62 0.06 0.00 1.12 0.00 0.00 29.99 31.55 1xja n HIS 126 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1xja h GLN 127 N 0.00 0.02 -0.86 -0.41 -0.00 -1.48 -0.29 115.11 112.09 1xja h GLN 127 Ca 0.00 -0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.74 1xja h GLN 127 Cb 0.93 -0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.35 1xja h GLN 127 CO 0.00 0.01 0.56 -1.35 0.00 0.00 0.00 178.83 178.05 1xja h PRO 128 N 0.02 0.82 -0.13 -2.39 0.11 -1.81 -1.43 132.00 127.18 1xja h PRO 128 Ca 0.28 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 1xja h PRO 128 Cb 0.43 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1xja h PRO 128 CO -0.57 0.54 -0.02 1.25 -0.21 0.00 0.00 178.00 178.98 1xja h HIS 129 N 0.84 0.27 -0.44 0.65 -0.00 -1.36 -2.43 115.15 112.68 1xja h HIS 129 Ca 0.40 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.63 1xja h HIS 129 Cb 0.41 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 1xja h HIS 129 CO -0.00 0.52 -0.08 0.74 -0.00 0.00 0.00 177.93 179.11 1xja h PHE 130 N -0.05 0.84 -0.38 5.26 0.04 -1.02 -1.61 116.94 120.01 1xja h PHE 130 Ca 0.03 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 1xja h PHE 130 Cb 0.43 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1xja h PHE 130 CO 0.05 0.82 -0.15 0.77 -0.60 0.00 0.00 178.31 179.20 1xja h SER 131 N 0.71 0.68 -0.04 2.17 0.02 -1.27 0.19 113.55 116.01 1xja h SER 131 Ca 0.13 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1xja h SER 131 Cb 0.54 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xja h SER 131 CO 0.03 0.84 -0.07 -0.78 -1.14 0.00 0.00 176.83 175.72 1xja h ASP 132 N 0.62 0.13 -0.92 3.07 3.58 -1.27 -1.42 116.42 120.21 1xja h ASP 132 Ca 0.10 -0.54 0.04 0.00 0.42 0.00 0.00 57.03 57.05 1xja h ASP 132 Cb 0.60 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.56 1xja h ASP 132 CO 0.04 0.64 0.60 0.25 -2.88 0.00 0.00 179.24 177.90 1xja h LEU 133 N -0.37 0.99 -1.12 2.28 6.46 -1.15 -0.25 115.31 122.14 1xja h LEU 133 Ca 0.00 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1xja h LEU 133 Cb 0.62 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1xja h LEU 133 CO 0.02 0.68 -0.11 0.15 -0.62 0.00 0.00 178.44 178.55 1xja h PHE 134 N 1.15 0.52 -0.08 1.25 3.04 -0.51 -2.13 116.94 120.17 1xja h PHE 134 Ca 0.37 -0.08 -0.13 0.00 3.98 0.00 0.00 57.97 62.11 1xja h PHE 134 Cb 0.02 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1xja h PHE 134 CO -0.00 0.59 -0.51 0.78 -2.02 0.00 0.00 178.31 177.14 1xja h GLY 135 N 0.91 0.24 1.60 2.40 0.00 0.03 -2.45 103.07 105.80 1xja h GLY 135 Ca 0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1xja h GLY 135 CO 0.03 0.24 -0.07 1.46 0.00 0.00 0.00 176.54 178.20 1xja h GLN 136 N 0.18 0.49 -0.18 4.80 4.20 -0.51 -1.92 115.11 122.17 1xja h GLN 136 Ca 0.01 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.42 1xja h GLN 136 Cb 0.97 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1xja h GLN 136 CO 0.08 0.57 -0.61 0.82 -0.67 0.00 0.00 178.83 179.02 1xja h ILE 137 N 0.46 1.32 0.39 2.54 2.04 -1.16 -1.30 117.51 121.80 1xja h ILE 137 Ca 0.09 -1.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.07 1xja h ILE 137 Cb 0.41 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1xja h ILE 137 CO 0.02 0.58 -0.19 0.40 0.00 0.00 0.00 178.15 178.96 1xja h ILE 138 N 0.46 0.62 -0.01 -0.67 1.08 -1.06 0.81 117.51 118.75 1xja h ILE 138 Ca -0.01 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1xja h ILE 138 Cb 1.18 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1xja h ILE 138 CO 0.12 0.04 -0.18 0.78 -0.69 0.00 0.00 178.15 178.22 1xja h ASN 139 N -0.64 -0.53 -0.54 1.72 -0.26 -1.35 -1.19 115.58 112.79 1xja h ASN 139 Ca -0.05 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1xja h ASN 139 Cb 0.47 0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.93 1xja h ASN 139 CO 0.09 -0.24 0.29 0.00 -1.06 0.00 0.00 177.43 176.50 1xja h ALA 140 N 0.63 1.45 0.00 -0.83 0.00 -1.24 -0.66 119.26 118.61 1xja h ALA 140 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xja h ALA 140 Cb 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xja h ALA 140 CO -0.18 0.45 0.00 0.78 0.00 0.00 0.00 179.25 180.30 1xja h GLY 141 N 0.87 0.00 -0.78 0.00 0.00 0.18 -2.40 103.07 100.94 1xja h GLY 141 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1xja h GLY 141 CO -0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.45 1xja n GLN 142 N -2.63 1.65 -1.65 4.80 6.02 -0.41 -4.27 117.38 120.88 1xja n GLN 142 Ca 0.01 -1.48 -0.30 0.00 -0.01 0.00 0.00 57.00 55.22 1xja n GLN 142 Cb 0.21 -1.17 0.07 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.84 1.64 0.00 1.08 0.00 -0.39 -5.00 107.32 103.81 1xja s GLY 143 Ca 0.13 -0.17 0.14 0.00 0.00 0.00 0.00 44.72 44.82 1xja s GLY 143 CO 0.11 0.21 0.83 1.18 0.00 0.00 0.00 173.10 175.42 1xja n GLU 144 N -3.23 1.64 -1.65 2.90 1.02 -1.26 -4.79 120.64 115.26 1xja n GLU 144 Ca 0.07 -0.89 -0.38 0.00 -0.02 0.00 0.00 57.16 55.94 1xja n GLU 144 Cb 0.56 -1.23 0.05 0.00 -0.02 0.00 0.00 31.44 30.80 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 1.02 -0.05 0.28 0.62 0.00 -1.26 -4.84 105.19 100.95 1xja n GLY 145 Ca 0.06 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 0.59 0.00 -0.33 1.61 2.43 -2.03 -2.22 114.38 114.43 1xja h ARG 146 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1xja h ARG 146 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1xja h ARG 146 CO 0.52 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.64 1xja n TYR 147 N -4.26 0.68 -0.09 2.20 4.02 -1.26 -4.64 117.16 113.81 1xja n TYR 147 Ca -0.03 -0.63 -0.11 0.00 -0.01 0.00 0.00 57.90 57.12 1xja n TYR 147 Cb 0.10 -0.14 -0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1xja n TYR 147 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xja h SER 148 N 2.05 0.43 -0.77 7.72 0.87 -1.70 -2.27 113.55 119.89 1xja h SER 148 Ca 0.00 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1xja h SER 148 Cb 1.01 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 1xja h SER 148 CO 0.09 0.60 0.35 -0.08 -0.53 0.00 0.00 176.83 177.25 1xja h GLU 149 N 0.25 1.12 0.00 2.24 4.81 -1.78 -0.92 114.58 120.31 1xja h GLU 149 Ca 0.08 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1xja h GLU 149 Cb 0.36 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xja h GLU 149 CO 0.01 0.89 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.95 1xja h LEU 150 N 1.09 0.00 -0.04 1.64 3.38 -1.85 -1.23 115.31 118.30 1xja h LEU 150 Ca 0.26 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 1xja h LEU 150 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xja h LEU 150 CO -0.03 0.15 -0.29 0.25 0.09 0.00 0.00 178.44 178.61 1xja h LEU 151 N 0.00 0.33 -0.57 1.67 6.46 -0.64 -1.86 115.31 120.71 1xja h LEU 151 Ca -0.00 -0.68 0.09 0.00 -0.12 0.00 0.00 57.88 57.17 1xja h LEU 151 Cb 0.40 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.16 1xja h LEU 151 CO 0.02 0.96 0.18 0.00 -0.62 0.00 0.00 178.44 178.98 1xja h ALA 152 N 0.38 0.70 -0.66 1.25 0.00 -0.73 0.23 119.26 120.43 1xja h ALA 152 Ca -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xja h ALA 152 Cb 0.97 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1xja h ALA 152 CO 0.06 -0.24 0.24 0.82 0.00 0.00 0.00 179.25 180.13 1xja h ILE 153 N 0.34 1.23 -0.21 0.00 2.04 -1.25 0.13 117.51 119.80 1xja h ILE 153 Ca 0.29 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.25 1xja h ILE 153 Cb 0.37 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1xja h ILE 153 CO -0.32 0.30 -0.43 -1.13 0.00 0.00 0.00 178.15 176.57 1xja h ASN 154 N 0.95 0.53 0.87 1.72 -1.24 -0.19 -1.47 115.58 116.75 1xja h ASN 154 Ca 0.22 -0.24 -0.14 0.00 0.71 0.00 0.00 56.30 56.85 1xja h ASN 154 Cb 0.21 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1xja h ASN 154 CO -0.02 0.90 -0.65 -0.07 -1.29 0.00 0.00 177.43 176.31 1xja h LEU 155 N 0.41 0.00 -0.30 0.34 3.38 -0.20 -2.07 115.31 116.86 1xja h LEU 155 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1xja h LEU 155 Cb 0.93 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xja h LEU 155 CO 0.08 0.65 -0.36 0.25 0.09 0.00 0.00 178.44 179.15 1xja h LEU 156 N 0.00 0.84 -0.64 1.67 5.85 -0.79 -1.53 115.31 120.71 1xja h LEU 156 Ca -0.01 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1xja h LEU 156 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1xja h LEU 156 CO 0.08 1.16 0.42 -0.08 -0.34 0.00 0.00 178.44 179.69 1xja h GLU 157 N 0.55 0.84 -0.45 1.25 4.81 -1.13 -1.91 114.58 118.54 1xja h GLU 157 Ca 0.04 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1xja h GLU 157 Cb 0.95 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1xja h GLU 157 CO 0.09 0.56 0.23 0.37 -0.73 0.00 0.00 179.01 179.53 1xja h GLN 158 N 0.87 0.44 -0.70 1.92 4.15 -1.13 -0.71 115.11 119.94 1xja h GLN 158 Ca 0.23 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.70 1xja h GLN 158 Cb -0.10 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.44 1xja h GLN 158 CO -0.05 0.29 0.39 1.25 -1.93 0.00 0.00 178.83 178.78 1xja h LEU 159 N 0.45 0.56 -0.92 -2.39 6.46 -0.72 0.49 115.31 119.24 1xja h LEU 159 Ca 0.19 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1xja h LEU 159 Cb 0.10 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 1xja h LEU 159 CO -0.14 0.35 0.35 -0.07 -0.62 0.00 0.00 178.44 178.32 1xja h LEU 160 N 0.70 1.03 -0.34 2.25 3.38 -0.59 0.78 115.31 122.52 1xja h LEU 160 Ca 0.32 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 1xja h LEU 160 Cb 0.24 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xja h LEU 160 CO -0.21 0.88 -0.77 -0.07 0.09 0.00 0.00 178.44 178.37 1xja h LEU 161 N 1.12 0.56 -0.54 1.67 3.38 0.10 -3.05 115.31 118.54 1xja h LEU 161 Ca 0.27 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1xja h LEU 161 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1xja h LEU 161 CO -0.03 1.13 0.06 0.03 0.09 0.00 0.00 178.44 179.72 1xja h ARG 162 N 0.31 0.91 -0.12 1.13 2.47 0.37 -2.24 114.38 117.21 1xja h ARG 162 Ca -0.04 -0.26 0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1xja h ARG 162 Cb 1.36 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 29.54 1xja h ARG 162 CO 0.14 0.90 -0.13 -0.09 0.56 0.00 0.00 179.97 181.34 1xja h ARG 163 N 0.79 -0.15 -0.61 0.04 2.43 -0.85 -0.69 114.38 115.34 1xja h ARG 163 Ca 0.16 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1xja h ARG 163 Cb 0.44 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1xja h ARG 163 CO 0.02 -0.10 0.30 0.52 -1.51 0.00 0.00 179.97 179.19 1xja h MET 164 N -0.16 0.86 -0.17 0.20 2.86 -1.41 -0.88 114.93 116.22 1xja h MET 164 Ca 0.09 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1xja h MET 164 Cb 0.28 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1xja h MET 164 CO -0.21 0.66 -0.25 0.93 1.06 0.00 0.00 176.91 179.09 1xja h GLU 165 N 0.86 0.47 0.52 1.72 5.08 -1.12 -1.83 114.58 120.28 1xja h GLU 165 Ca 0.21 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1xja h GLU 165 Cb 0.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1xja h GLU 165 CO -0.03 0.87 -0.44 0.00 -1.00 0.00 0.00 179.01 178.41 1xja h ALA 166 N 0.59 -1.02 -0.75 3.43 0.00 -0.78 -2.38 119.26 118.35 1xja h ALA 166 Ca 0.02 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xja h ALA 166 Cb 0.83 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1xja h ALA 166 CO 0.06 -1.10 0.37 0.82 0.00 0.00 0.00 179.25 179.39 1xja h ILE 167 N -0.95 0.80 0.00 0.00 2.04 -1.23 -0.62 117.51 117.54 1xja h ILE 167 Ca -0.06 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1xja h ILE 167 Cb 0.81 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1xja h ILE 167 CO -0.02 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.04 1xja n ASN 168 N -4.88 0.00 -0.00 1.72 2.85 -0.69 0.21 115.26 114.47 1xja n ASN 168 Ca 0.13 0.46 0.03 0.00 -0.11 0.00 0.00 54.58 55.09 1xja n ASN 168 Cb 0.33 -0.47 -0.04 0.00 1.24 0.00 0.00 39.78 40.83 1xja n ASN 168 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xja n GLU 169 N -1.47 0.79 -0.33 1.20 -0.58 -0.34 -4.18 120.64 115.73 1xja n GLU 169 Ca 0.01 -0.05 0.11 0.00 -0.42 0.00 0.00 57.16 56.81 1xja n GLU 169 Cb 0.05 -1.10 0.29 0.00 -0.57 0.00 0.00 31.44 30.11 1xja n GLU 169 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xja n SER 170 N -1.64 3.74 0.00 1.62 2.88 -0.62 -5.12 113.62 114.49 1xja n SER 170 Ca -0.01 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1xja n SER 170 Cb 0.15 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1xja n SER 170 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99