#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xd6 n ASP 2 N 0.00 1.75 -3.91 -3.46 5.75 -1.25 -1.21 116.55 114.22 1xd6 n ASP 2 Ca 0.00 -1.35 -0.10 0.00 -0.01 0.00 0.00 54.79 53.33 1xd6 n ASP 2 Cb 0.00 0.30 -0.09 0.00 -1.03 0.00 0.00 41.12 40.30 1xd6 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xd6 s ARG 3 N -2.42 0.61 -0.15 0.11 1.70 -1.26 -0.71 118.95 116.83 1xd6 s ARG 3 Ca 0.22 -0.71 -0.00 0.00 -0.47 0.00 0.00 55.73 54.77 1xd6 s ARG 3 Cb 0.19 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1xd6 s ARG 3 CO 0.52 -0.16 -0.06 -1.17 -1.08 0.00 0.00 175.30 173.35 1xd6 s LEU 4 N -2.08 1.47 0.45 -1.89 2.96 0.13 -4.96 118.68 114.76 1xd6 s LEU 4 Ca -0.05 -0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 53.11 1xd6 s LEU 4 Cb -0.01 -0.90 -0.10 0.00 0.50 0.00 0.00 46.19 45.68 1xd6 s LEU 4 CO -0.04 -0.16 0.98 0.20 -1.32 0.00 0.00 176.35 176.01 1xd6 s ASN 5 N 1.65 6.74 0.24 3.68 0.01 -1.26 -0.09 114.94 125.91 1xd6 s ASN 5 Ca 0.02 1.75 -0.31 0.00 -0.71 0.00 0.00 52.86 53.61 1xd6 s ASN 5 Cb -0.14 -2.54 -0.14 0.00 0.41 0.00 0.00 41.25 38.83 1xd6 s ASN 5 CO -0.08 -0.50 1.25 0.00 -1.51 0.00 0.00 177.10 176.27 1xd6 n ALA 6 N -0.81 0.32 -0.04 0.60 0.00 -0.28 -1.93 120.51 118.38 1xd6 n ALA 6 Ca 0.08 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1xd6 n ALA 6 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1xd6 n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xd6 n GLY 7 N 1.83 0.51 3.77 0.00 0.00 0.37 -4.87 105.19 106.79 1xd6 n GLY 7 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1xd6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xd6 s LYS 8 N -0.84 2.52 0.05 1.61 -0.14 -0.81 -4.99 119.74 117.14 1xd6 s LYS 8 Ca 0.00 -1.43 -0.02 0.00 -1.36 0.00 0.00 55.97 53.16 1xd6 s LYS 8 Cb 0.00 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1xd6 s LYS 8 CO 0.00 0.13 0.00 -1.54 -0.76 0.00 0.00 175.35 173.18 1xd6 s SER 9 N -3.89 0.40 -0.19 2.83 1.04 -1.26 -2.03 113.70 110.60 1xd6 s SER 9 Ca 0.38 -0.88 -0.06 0.00 0.48 0.00 0.00 55.95 55.88 1xd6 s SER 9 Cb -0.04 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1xd6 s SER 9 CO 0.24 -0.57 0.02 -0.76 0.98 0.00 0.00 173.24 173.15 1xd6 s LEU 10 N -2.69 3.47 0.00 2.42 1.43 0.16 -4.96 118.68 118.51 1xd6 s LEU 10 Ca 0.03 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 1xd6 s LEU 10 Cb 0.05 -1.88 0.26 0.00 0.03 0.00 0.00 46.19 44.65 1xd6 s LEU 10 CO -0.09 0.12 1.15 0.61 0.23 0.00 0.00 176.35 178.37 1xd6 n GLY 11 N 3.90 -2.16 3.72 -3.19 0.00 -1.26 -0.73 105.19 105.48 1xd6 n GLY 11 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1xd6 n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xd6 n ALA 12 N -4.33 2.83 -0.62 4.61 0.00 -1.23 -0.84 120.51 120.93 1xd6 n ALA 12 Ca -0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1xd6 n ALA 12 Cb 0.56 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1xd6 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xd6 n GLY 13 N 3.81 1.48 3.82 0.00 0.00 0.12 -4.92 105.19 109.49 1xd6 n GLY 13 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1xd6 n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xd6 s GLY 14 N -1.93 2.35 0.12 -0.02 0.00 -0.02 -4.84 107.32 102.98 1xd6 s GLY 14 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 44.72 44.96 1xd6 s GLY 14 CO 0.00 0.72 0.46 -1.35 0.00 0.00 0.00 173.10 172.93 1xd6 s SER 15 N -2.31 -0.34 -0.03 1.64 1.04 -1.26 -1.29 113.70 111.15 1xd6 s SER 15 Ca 0.63 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.87 1xd6 s SER 15 Cb -0.12 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1xd6 s SER 15 CO 0.19 -0.85 0.16 -0.76 0.98 0.00 0.00 173.24 172.96 1xd6 s LEU 16 N -2.63 4.29 0.08 2.42 1.43 0.23 -4.61 118.68 119.89 1xd6 s LEU 16 Ca 0.01 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1xd6 s LEU 16 Cb 0.01 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1xd6 s LEU 16 CO -0.10 0.29 -0.09 0.00 0.23 0.00 0.00 176.35 176.68 1xd6 s ALA 17 N -1.25 0.96 -0.29 4.21 0.00 -0.35 -0.92 121.76 124.10 1xd6 s ALA 17 Ca 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1xd6 s ALA 17 Cb -0.12 0.06 0.19 0.00 0.00 0.00 0.00 23.12 23.25 1xd6 s ALA 17 CO 0.16 -0.07 0.73 -2.00 0.00 0.00 0.00 175.76 174.57 1xd6 s GLU 18 N -2.71 0.43 7.81 0.00 -6.30 -0.59 -3.81 118.70 113.54 1xd6 s GLU 18 Ca 0.03 0.45 0.00 0.00 -2.50 0.00 0.00 54.97 52.95 1xd6 s GLU 18 Cb -0.03 0.21 0.00 0.00 0.00 0.00 0.00 34.13 34.31 1xd6 s GLU 18 CO -0.01 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.89 1xd6 n GLY 19 N 5.33 3.41 0.41 -1.50 0.00 -1.26 -0.98 105.19 110.61 1xd6 n GLY 19 Ca 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1xd6 n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xd6 n PRO 20 N 13.89 1.54 -3.37 1.61 -0.04 -1.26 -4.86 135.00 142.51 1xd6 n PRO 20 Ca 0.00 -0.82 -0.38 0.00 -0.04 0.00 0.00 63.50 62.26 1xd6 n PRO 20 Cb 0.00 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1xd6 n PRO 20 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xd6 s TYR 21 N -1.78 3.62 -0.06 0.54 4.12 -0.15 -0.44 117.35 123.20 1xd6 s TYR 21 Ca 0.26 0.97 0.01 0.00 0.02 0.00 0.00 57.07 58.32 1xd6 s TYR 21 Cb 0.13 -2.46 0.02 0.00 -1.52 0.00 0.00 41.96 38.14 1xd6 s TYR 21 CO 0.20 0.38 -0.05 -1.17 0.02 0.00 0.00 175.55 174.93 1xd6 s LEU 22 N -0.15 1.20 -0.29 -1.29 2.96 -0.50 -1.54 118.68 119.07 1xd6 s LEU 22 Ca 0.25 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1xd6 s LEU 22 Cb -0.16 -0.53 0.06 0.00 0.50 0.00 0.00 46.19 46.06 1xd6 s LEU 22 CO 0.12 -0.08 -0.04 0.12 -1.32 0.00 0.00 176.35 175.16 1xd6 s PHE 23 N 1.18 3.29 -0.03 5.38 5.36 -0.10 0.39 117.98 133.45 1xd6 s PHE 23 Ca -0.07 -2.08 0.03 0.00 -0.96 0.00 0.00 56.93 53.86 1xd6 s PHE 23 Cb -0.14 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1xd6 s PHE 23 CO -0.01 -0.84 -0.12 -1.50 -1.46 0.00 0.00 175.22 171.28 1xd6 s ILE 24 N 1.19 1.02 -0.67 3.12 2.07 -0.39 -0.60 121.20 126.93 1xd6 s ILE 24 Ca -0.06 -0.50 -0.24 0.00 -1.41 0.00 0.00 60.65 58.43 1xd6 s ILE 24 Cb -0.20 -0.89 0.05 0.00 0.13 0.00 0.00 42.46 41.56 1xd6 s ILE 24 CO -0.03 0.30 1.07 -0.32 -1.91 0.00 0.00 174.94 174.05 1xd6 s MET 25 N 0.04 3.16 0.54 3.50 -2.45 -0.42 -1.49 119.30 122.19 1xd6 s MET 25 Ca -0.02 -0.58 -0.16 0.00 -1.25 0.00 0.00 55.69 53.68 1xd6 s MET 25 Cb -0.09 -4.20 -0.07 0.00 1.25 0.00 0.00 34.83 31.73 1xd6 s MET 25 CO 0.01 -1.90 1.00 -0.65 1.05 0.00 0.00 175.02 174.54 1xd6 s GLN 26 N 4.60 3.79 0.61 4.11 -0.21 -0.18 0.10 119.66 132.48 1xd6 s GLN 26 Ca 0.27 0.98 0.35 0.00 0.02 0.00 0.00 55.36 56.98 1xd6 s GLN 26 Cb -0.14 -2.11 1.97 0.00 1.00 0.00 0.00 33.01 33.74 1xd6 s GLN 26 CO 0.13 -0.41 2.27 -2.95 -2.12 0.00 0.00 175.29 172.21 1xd6 h ASN 27 N 0.69 0.00 -0.08 5.90 -1.07 -1.91 -0.12 115.58 118.99 1xd6 h ASN 27 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 1xd6 h ASN 27 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 1xd6 h ASN 27 CO 0.61 0.01 0.00 -0.90 0.07 0.00 0.00 177.43 177.22 1xd6 n ASP 28 N -3.54 0.48 0.00 6.14 5.75 -1.26 -4.48 116.55 119.64 1xd6 n ASP 28 Ca -0.03 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1xd6 n ASP 28 Cb 0.10 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1xd6 n ASP 28 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xd6 s ASN 30 N -2.55 7.28 -0.35 0.00 3.04 -1.25 -4.27 114.94 116.84 1xd6 s ASN 30 Ca 0.00 1.52 -0.13 0.00 0.04 0.00 0.00 52.86 54.29 1xd6 s ASN 30 Cb 0.00 -2.47 -0.01 0.00 -1.54 0.00 0.00 41.25 37.22 1xd6 s ASN 30 CO 0.00 0.12 0.25 -0.22 -3.04 0.00 0.00 177.10 174.21 1xd6 s LEU 31 N -0.61 4.59 -0.03 3.21 2.96 -1.26 -1.01 118.68 126.52 1xd6 s LEU 31 Ca 0.37 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1xd6 s LEU 31 Cb -0.22 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1xd6 s LEU 31 CO 0.24 -0.26 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.15 1xd6 s VAL 32 N 1.72 1.39 -0.27 1.68 1.01 -0.55 -0.96 120.40 124.41 1xd6 s VAL 32 Ca 0.06 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1xd6 s VAL 32 Cb -0.18 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1xd6 s VAL 32 CO 0.10 0.40 0.19 -0.22 0.00 0.00 0.00 175.10 175.58 1xd6 s LEU 33 N -0.14 4.03 -0.13 3.92 2.96 0.44 -1.26 118.68 128.49 1xd6 s LEU 33 Ca 0.01 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1xd6 s LEU 33 Cb -0.09 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1xd6 s LEU 33 CO 0.01 -0.04 0.04 -0.31 -1.32 0.00 0.00 176.35 174.73 1xd6 s TYR 34 N 1.68 3.25 -0.54 5.38 2.02 0.16 -0.53 117.35 128.78 1xd6 s TYR 34 Ca 0.07 0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.79 1xd6 s TYR 34 Cb -0.16 -1.93 0.13 0.00 -0.40 0.00 0.00 41.96 39.60 1xd6 s TYR 34 CO 0.10 0.35 0.47 0.34 -1.57 0.00 0.00 175.55 175.23 1xd6 s ASP 35 N -0.33 6.06 1.35 2.29 -1.08 0.87 -1.40 116.67 124.43 1xd6 s ASP 35 Ca 0.08 -1.89 0.00 0.00 -0.52 0.00 0.00 52.55 50.22 1xd6 s ASP 35 Cb -0.12 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1xd6 s ASP 35 CO 0.02 -0.79 0.00 -3.20 0.52 0.00 0.00 175.17 171.72 1xd6 n ASN 36 N 5.06 0.00 -0.11 -0.34 5.15 0.42 -1.47 115.26 123.97 1xd6 n ASN 36 Ca -0.10 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 53.96 1xd6 n ASN 36 Cb 0.41 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.58 1xd6 n ASN 36 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1xd6 n ASN 37 N 9.36 1.11 -4.65 1.20 6.94 -1.26 -4.89 115.26 123.07 1xd6 n ASN 37 Ca 0.00 -1.06 -0.40 0.00 -0.02 0.00 0.00 54.58 53.11 1xd6 n ASN 37 Cb 0.00 0.87 -0.07 0.00 -2.36 0.00 0.00 39.78 38.22 1xd6 n ASN 37 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1xd6 s ARG 38 N -2.61 4.15 -0.11 -3.83 0.52 -0.54 -5.04 118.95 111.49 1xd6 s ARG 38 Ca 0.09 0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 1xd6 s ARG 38 Cb 0.14 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 1xd6 s ARG 38 CO 0.69 -0.24 1.32 0.00 0.02 0.00 0.00 175.30 177.10 1xd6 s ALA 39 N 1.92 3.61 -0.21 2.13 0.00 -1.26 -0.09 121.76 127.86 1xd6 s ALA 39 Ca 0.24 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1xd6 s ALA 39 Cb -0.15 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1xd6 s ALA 39 CO 0.09 -1.08 0.24 1.33 0.00 0.00 0.00 175.76 176.35 1xd6 n VAL 40 N 5.13 0.00 -3.68 0.00 0.24 0.31 -4.95 118.33 115.38 1xd6 n VAL 40 Ca 0.14 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 1xd6 n VAL 40 Cb 0.45 0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 33.49 1xd6 n VAL 40 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xd6 s TRP 41 N -1.96 -0.51 -0.03 6.34 -0.00 -1.20 -5.00 118.94 116.58 1xd6 s TRP 41 Ca 0.01 1.14 -0.11 0.00 -0.00 0.00 0.00 56.10 57.13 1xd6 s TRP 41 Cb 0.05 0.21 0.02 0.00 -0.00 0.00 0.00 33.47 33.74 1xd6 s TRP 41 CO 0.29 -0.34 0.25 0.00 -0.00 0.00 0.00 176.95 177.15 1xd6 s ALA 42 N -0.23 -0.63 0.31 5.86 0.00 -1.26 -0.42 121.76 125.38 1xd6 s ALA 42 Ca -0.04 0.31 0.22 0.00 0.00 0.00 0.00 51.96 52.45 1xd6 s ALA 42 Cb -0.03 -0.05 1.04 0.00 0.00 0.00 0.00 23.12 24.08 1xd6 s ALA 42 CO 0.03 -0.21 1.91 0.66 0.00 0.00 0.00 175.76 178.14 1xd6 h SER 43 N 4.44 0.00 -0.56 0.00 4.64 -1.43 -3.48 113.55 117.17 1xd6 h SER 43 Ca -0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 1xd6 h SER 43 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xd6 h SER 43 CO 0.38 0.25 -0.09 0.61 -0.87 0.00 0.00 176.83 177.11 1xd6 n GLY 44 N -0.32 0.25 1.04 -0.77 0.00 -1.26 -4.95 105.19 99.17 1xd6 n GLY 44 Ca -0.01 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.36 1xd6 n GLY 44 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xd6 n THR 45 N -3.95 2.35 -1.79 2.61 -2.24 -1.26 -4.99 114.28 105.01 1xd6 n THR 45 Ca -0.04 -1.81 -0.41 0.00 -2.27 0.00 0.00 64.05 59.52 1xd6 n THR 45 Cb 0.53 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1xd6 n THR 45 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xd6 s ASN 46 N -1.76 6.38 0.00 3.42 4.22 -1.26 -2.22 114.94 123.73 1xd6 s ASN 46 Ca 0.44 2.94 0.00 0.00 -2.14 0.00 0.00 52.86 54.10 1xd6 s ASN 46 Cb 0.35 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 40.25 1xd6 s ASN 46 CO 0.10 -0.91 0.00 0.61 -2.04 0.00 0.00 177.10 174.86 1xd6 n GLY 47 N 2.19 1.22 0.16 0.45 0.00 0.10 -4.87 105.19 104.44 1xd6 n GLY 47 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1xd6 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xd6 h LYS 48 N 1.86 0.00 -2.31 1.61 1.79 -1.64 -3.48 116.57 114.40 1xd6 h LYS 48 Ca 0.00 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.67 1xd6 h LYS 48 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1xd6 h LYS 48 CO 0.00 0.48 0.60 0.00 -1.08 0.00 0.00 179.45 179.45 1xd6 s ALA 49 N -3.89 -1.74 0.24 3.86 0.00 -1.26 -5.16 121.76 113.80 1xd6 s ALA 49 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 51.99 1xd6 s ALA 49 Cb 0.13 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 1xd6 s ALA 49 CO 0.74 -1.06 -0.14 -1.54 0.00 0.00 0.00 175.76 173.76 1xd6 s SER 50 N -3.22 2.82 -1.42 0.00 1.04 -1.26 -4.41 113.70 107.24 1xd6 s SER 50 Ca 0.18 -1.06 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 1xd6 s SER 50 Cb -0.01 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 65.98 1xd6 s SER 50 CO 0.03 -0.17 0.88 0.59 0.98 0.00 0.00 173.24 175.55 1xd6 n ASN 51 N -0.47 -3.35 -4.79 7.02 3.02 -1.26 -4.69 115.26 110.73 1xd6 n ASN 51 Ca -0.07 -0.78 -0.36 0.00 -0.03 0.00 0.00 54.58 53.35 1xd6 n ASN 51 Cb 0.61 -4.05 -0.04 0.00 -0.61 0.00 0.00 39.78 35.69 1xd6 n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xd6 s ILE 53 N -1.77 1.47 -0.21 0.00 -5.25 -0.04 -3.51 121.20 111.88 1xd6 s ILE 53 Ca 0.62 -1.51 -0.10 0.00 -0.99 0.00 0.00 60.65 58.67 1xd6 s ILE 53 Cb -0.20 -1.41 -0.05 0.00 2.95 0.00 0.00 42.46 43.75 1xd6 s ILE 53 CO 0.25 -0.18 0.14 -0.22 -1.79 0.00 0.00 174.94 173.14 1xd6 s LEU 54 N -1.97 4.17 -0.17 0.37 2.96 0.10 -0.90 118.68 123.24 1xd6 s LEU 54 Ca 0.04 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1xd6 s LEU 54 Cb -0.09 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.52 1xd6 s LEU 54 CO 0.04 0.14 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.25 1xd6 s LYS 55 N 0.60 2.94 -0.60 1.98 2.47 0.82 -0.67 119.74 127.29 1xd6 s LYS 55 Ca 0.08 -0.82 -0.22 0.00 -1.56 0.00 0.00 55.97 53.45 1xd6 s LYS 55 Cb -0.12 -2.49 0.06 0.00 -1.46 0.00 0.00 37.83 33.82 1xd6 s LYS 55 CO 0.00 -0.15 0.91 1.41 0.16 0.00 0.00 175.35 177.68 1xd6 s MET 56 N 1.16 3.18 0.51 4.03 -2.45 -0.86 -1.31 119.30 123.55 1xd6 s MET 56 Ca 0.01 -0.68 -0.14 0.00 -1.25 0.00 0.00 55.69 53.63 1xd6 s MET 56 Cb -0.14 -4.16 -0.07 0.00 1.25 0.00 0.00 34.83 31.71 1xd6 s MET 56 CO -0.10 -1.63 0.95 -0.65 1.05 0.00 0.00 175.02 174.64 1xd6 s GLN 57 N 3.80 3.86 0.00 4.11 -0.21 -0.35 -0.48 119.66 130.39 1xd6 s GLN 57 Ca 0.23 0.82 0.11 0.00 0.02 0.00 0.00 55.36 56.54 1xd6 s GLN 57 Cb -0.16 -2.18 0.47 0.00 1.00 0.00 0.00 33.01 32.14 1xd6 s GLN 57 CO 0.13 -0.27 1.32 0.54 -2.12 0.00 0.00 175.29 174.89 1xd6 n ARG 58 N -1.72 0.03 -0.11 2.91 1.74 -1.26 -1.60 116.66 116.65 1xd6 n ARG 58 Ca 0.06 0.29 0.12 0.00 -0.77 0.00 0.00 57.85 57.55 1xd6 n ARG 58 Cb 0.54 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.76 1xd6 n ARG 58 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1xd6 n ASP 59 N -1.46 2.62 0.00 0.55 5.75 -1.26 -0.53 116.55 122.22 1xd6 n ASP 59 Ca 0.03 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1xd6 n ASP 59 Cb 0.12 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1xd6 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xd6 n GLY 60 N 1.33 0.77 3.71 6.12 0.00 -0.63 -2.20 105.19 114.30 1xd6 n GLY 60 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1xd6 n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xd6 s ASN 61 N -2.92 6.99 -0.20 1.61 2.47 -1.24 -4.69 114.94 116.97 1xd6 s ASN 61 Ca 0.00 1.20 -0.19 0.00 0.42 0.00 0.00 52.86 54.29 1xd6 s ASN 61 Cb 0.00 -2.42 -0.03 0.00 -1.45 0.00 0.00 41.25 37.35 1xd6 s ASN 61 CO 0.00 -0.14 0.53 -0.22 -3.72 0.00 0.00 177.10 173.55 1xd6 s LEU 62 N 0.91 4.15 -0.03 3.21 2.96 -1.26 -1.21 118.68 127.41 1xd6 s LEU 62 Ca 0.38 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 1xd6 s LEU 62 Cb -0.18 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.80 1xd6 s LEU 62 CO 0.18 -0.19 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.31 1xd6 s VAL 63 N 1.65 0.29 -0.19 1.68 1.01 -0.43 -1.02 120.40 123.39 1xd6 s VAL 63 Ca 0.25 -0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1xd6 s VAL 63 Cb -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1xd6 s VAL 63 CO 0.10 0.15 0.62 -0.63 0.00 0.00 0.00 175.10 175.33 1xd6 s ILE 64 N 0.74 5.03 0.04 2.22 1.01 -0.39 -0.12 121.20 129.73 1xd6 s ILE 64 Ca -0.08 1.16 0.04 0.00 0.00 0.00 0.00 60.65 61.77 1xd6 s ILE 64 Cb -0.11 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1xd6 s ILE 64 CO -0.01 0.13 -0.05 -0.31 0.00 0.00 0.00 174.94 174.70 1xd6 s TYR 65 N 1.82 2.91 -0.22 3.97 2.02 -0.08 0.21 117.35 127.97 1xd6 s TYR 65 Ca 0.28 -0.04 -0.00 0.00 -0.37 0.00 0.00 57.07 56.94 1xd6 s TYR 65 Cb -0.16 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 39.89 1xd6 s TYR 65 CO 0.10 0.41 -0.02 0.45 -1.57 0.00 0.00 175.55 174.93 1xd6 s SER 66 N -1.73 3.57 1.53 2.29 0.15 -0.06 -0.86 113.70 118.58 1xd6 s SER 66 Ca 0.20 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1xd6 s SER 66 Cb -0.11 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1xd6 s SER 66 CO 0.11 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1xd6 n GLY 67 N 4.79 3.13 0.36 9.45 0.00 -1.26 -2.20 105.19 119.47 1xd6 n GLY 67 Ca -0.11 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1xd6 n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xd6 n SER 68 N 3.63 1.38 -4.76 1.61 3.41 -1.26 -4.91 113.62 112.72 1xd6 n SER 68 Ca 0.00 -1.16 -0.39 0.00 -0.26 0.00 0.00 58.87 57.06 1xd6 n SER 68 Cb 0.00 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 1xd6 n SER 68 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xd6 s ARG 69 N -2.39 4.34 0.02 4.33 0.52 -0.93 -5.05 118.95 119.78 1xd6 s ARG 69 Ca 0.26 0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 55.93 1xd6 s ARG 69 Cb 0.19 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 1xd6 s ARG 69 CO 0.49 0.33 1.08 0.00 0.02 0.00 0.00 175.30 177.22 1xd6 s ALA 70 N -0.06 3.28 -0.15 2.13 0.00 -1.26 -0.88 121.76 124.83 1xd6 s ALA 70 Ca 0.32 0.66 0.17 0.00 0.00 0.00 0.00 51.96 53.11 1xd6 s ALA 70 Cb -0.18 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.30 1xd6 s ALA 70 CO 0.17 -0.36 0.28 -1.33 0.00 0.00 0.00 175.76 174.52 1xd6 n MET 71 N 4.04 0.67 -3.62 0.00 0.00 0.13 -4.94 117.12 113.40 1xd6 n MET 71 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 57.70 57.74 1xd6 n MET 71 Cb 0.49 -1.60 -0.07 0.00 0.00 0.00 0.00 33.22 32.04 1xd6 n MET 71 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 1xd6 s TRP 72 N -2.60 -0.50 0.02 2.03 -0.00 -1.22 -4.99 118.94 111.67 1xd6 s TRP 72 Ca -0.08 1.14 0.00 0.00 -0.00 0.00 0.00 56.10 57.16 1xd6 s TRP 72 Cb 0.07 0.37 -0.02 0.00 -0.00 0.00 0.00 33.47 33.90 1xd6 s TRP 72 CO 0.83 -0.29 -0.03 0.00 -0.00 0.00 0.00 176.95 177.46 1xd6 s ALA 73 N -0.12 0.12 -0.06 5.86 0.00 -1.26 -1.26 121.76 125.04 1xd6 s ALA 73 Ca 0.01 -0.46 0.31 0.00 0.00 0.00 0.00 51.96 51.81 1xd6 s ALA 73 Cb -0.04 0.11 1.19 0.00 0.00 0.00 0.00 23.12 24.38 1xd6 s ALA 73 CO -0.03 -0.11 1.90 0.66 0.00 0.00 0.00 175.76 178.18 1xd6 h SER 74 N 4.99 0.00 -5.88 0.00 4.64 -1.44 -3.47 113.55 112.38 1xd6 h SER 74 Ca -0.30 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.62 1xd6 h SER 74 Cb 1.21 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.41 1xd6 h SER 74 CO 0.43 0.00 -0.73 0.59 -0.87 0.00 0.00 176.83 176.25 1xd6 n ASN 75 N -2.96 -4.31 -3.31 4.97 5.03 -1.26 -4.93 115.26 108.49 1xd6 n ASN 75 Ca 0.01 -0.63 -0.27 0.00 0.87 0.00 0.00 54.58 54.57 1xd6 n ASN 75 Cb 0.32 -4.79 -0.07 0.00 -1.02 0.00 0.00 39.78 34.22 1xd6 n ASN 75 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1xd6 n THR 76 N -4.63 2.33 -2.84 3.41 -2.24 -1.26 -5.06 114.28 103.99 1xd6 n THR 76 Ca -0.11 -5.23 -0.41 0.00 -2.27 0.00 0.00 64.05 56.03 1xd6 n THR 76 Cb 0.60 -1.94 -0.04 0.00 -2.10 0.00 0.00 70.33 66.86 1xd6 n THR 76 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xd6 s ASN 77 N -2.61 7.19 0.00 3.42 3.04 -1.26 -3.65 114.94 121.07 1xd6 s ASN 77 Ca 0.41 1.44 0.00 0.00 0.04 0.00 0.00 52.86 54.76 1xd6 s ASN 77 Cb 0.18 -2.50 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 1xd6 s ASN 77 CO -0.04 -0.23 0.00 0.54 -3.04 0.00 0.00 177.10 174.33 1xd6 n ARG 78 N 4.03 0.66 -4.16 0.43 1.74 -0.93 -5.06 116.66 113.37 1xd6 n ARG 78 Ca 0.03 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 1xd6 n ARG 78 Cb 0.51 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.90 1xd6 n ARG 78 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1xd6 s GLN 79 N 2.91 2.24 -0.00 5.56 -1.52 -1.26 -4.83 119.66 122.76 1xd6 s GLN 79 Ca 0.00 -2.00 -0.36 0.00 -1.95 0.00 0.00 55.36 51.05 1xd6 s GLN 79 Cb 0.00 -1.94 -0.14 0.00 -0.22 0.00 0.00 33.01 30.70 1xd6 s GLN 79 CO 0.00 -0.32 1.62 -0.25 -0.25 0.00 0.00 175.29 176.09 1xd6 n ASP 80 N -1.41 2.65 0.00 5.90 8.00 -1.25 -4.40 116.55 126.04 1xd6 n ASP 80 Ca -0.05 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.52 1xd6 n ASP 80 Cb 0.65 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1xd6 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xd6 n GLY 81 N 3.56 2.64 2.85 0.44 0.00 0.31 -4.97 105.19 110.02 1xd6 n GLY 81 Ca 0.21 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1xd6 n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xd6 n ASN 82 N 0.00 4.91 -4.82 1.61 3.02 -1.26 -4.84 115.26 113.89 1xd6 n ASN 82 Ca 0.00 -3.70 -0.31 0.00 -0.03 0.00 0.00 54.58 50.54 1xd6 n ASN 82 Cb 0.00 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 38.59 1xd6 n ASN 82 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xd6 s TYR 83 N -3.60 3.08 -0.05 3.10 1.51 -1.26 -4.00 117.35 116.14 1xd6 s TYR 83 Ca 0.48 1.43 -0.16 0.00 -1.01 0.00 0.00 57.07 57.81 1xd6 s TYR 83 Cb 0.29 -2.89 0.03 0.00 -0.11 0.00 0.00 41.96 39.27 1xd6 s TYR 83 CO -0.15 -1.26 0.35 1.52 -1.11 0.00 0.00 175.55 174.90 1xd6 s TYR 84 N -3.01 -0.27 -0.16 2.71 1.13 -0.78 -1.12 117.35 115.85 1xd6 s TYR 84 Ca 0.58 0.50 -0.10 0.00 -1.41 0.00 0.00 57.07 56.64 1xd6 s TYR 84 Cb -0.14 0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.80 1xd6 s TYR 84 CO 0.54 -0.36 0.18 -1.17 -2.51 0.00 0.00 175.55 172.23 1xd6 s LEU 85 N -0.96 4.28 -0.04 -3.49 2.96 0.87 -1.27 118.68 121.04 1xd6 s LEU 85 Ca -0.10 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 1xd6 s LEU 85 Cb -0.04 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1xd6 s LEU 85 CO 0.04 0.24 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.73 1xd6 s ILE 86 N -0.10 0.65 -0.51 6.68 2.07 -0.10 0.17 121.20 130.06 1xd6 s ILE 86 Ca 0.12 -0.22 -0.25 0.00 -1.41 0.00 0.00 60.65 58.90 1xd6 s ILE 86 Cb -0.12 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.87 1xd6 s ILE 86 CO 0.02 0.24 0.94 -0.22 -1.91 0.00 0.00 174.94 174.00 1xd6 s LEU 87 N 0.67 4.04 0.56 8.50 2.96 0.11 -1.35 118.68 134.18 1xd6 s LEU 87 Ca -0.10 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1xd6 s LEU 87 Cb -0.13 -3.02 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1xd6 s LEU 87 CO 0.01 -1.14 1.01 -1.10 -1.32 0.00 0.00 176.35 173.80 1xd6 s GLN 88 N 3.87 3.76 0.62 1.98 -0.21 0.79 -4.89 119.66 125.59 1xd6 s GLN 88 Ca 0.34 0.88 0.34 0.00 0.02 0.00 0.00 55.36 56.93 1xd6 s GLN 88 Cb -0.11 -2.11 1.93 0.00 1.00 0.00 0.00 33.01 33.72 1xd6 s GLN 88 CO 0.23 -0.43 2.21 0.07 -2.12 0.00 0.00 175.29 175.25 1xd6 h ARG 89 N 0.35 0.00 -0.50 2.91 0.11 -1.96 0.74 114.38 116.03 1xd6 h ARG 89 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1xd6 h ARG 89 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1xd6 h ARG 89 CO 0.61 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.28 1xd6 n ASP 90 N -3.53 2.51 0.00 0.08 5.75 -1.26 -4.92 116.55 115.19 1xd6 n ASP 90 Ca -0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1xd6 n ASP 90 Cb 0.18 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1xd6 n ASP 90 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1xd6 n ARG 91 N 0.59 0.00 -2.55 0.11 0.63 0.25 -1.35 116.66 114.35 1xd6 n ARG 91 Ca 0.14 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.70 1xd6 n ARG 91 Cb 0.45 -2.51 -0.04 0.00 0.45 0.00 0.00 32.46 30.81 1xd6 n ARG 91 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1xd6 s ASN 92 N -3.11 6.78 -0.19 6.15 2.47 -1.26 -4.27 114.94 121.52 1xd6 s ASN 92 Ca 0.00 2.04 -0.03 0.00 0.42 0.00 0.00 52.86 55.29 1xd6 s ASN 92 Cb 0.00 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 1xd6 s ASN 92 CO 0.00 -0.47 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.17 1xd6 s VAL 93 N -1.65 3.51 0.01 -5.21 1.01 -1.26 -0.15 120.40 116.67 1xd6 s VAL 93 Ca 0.57 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1xd6 s VAL 93 Cb -0.22 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1xd6 s VAL 93 CO 0.28 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 175.06 1xd6 s VAL 94 N 1.00 0.63 -0.24 2.92 1.01 -0.46 -1.01 120.40 124.25 1xd6 s VAL 94 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1xd6 s VAL 94 Cb -0.15 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1xd6 s VAL 94 CO 0.00 0.01 0.14 -0.63 0.00 0.00 0.00 175.10 174.62 1xd6 s ILE 95 N -0.53 5.08 0.08 2.22 1.01 -0.09 -0.93 121.20 128.04 1xd6 s ILE 95 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1xd6 s ILE 95 Cb -0.05 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1xd6 s ILE 95 CO 0.00 0.34 0.02 -0.31 0.00 0.00 0.00 174.94 174.99 1xd6 s TYR 96 N 1.19 3.04 0.51 3.97 2.02 -0.39 -0.95 117.35 126.74 1xd6 s TYR 96 Ca 0.06 0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.77 1xd6 s TYR 96 Cb -0.14 -1.57 0.10 0.00 -0.40 0.00 0.00 41.96 39.95 1xd6 s TYR 96 CO 0.05 0.49 0.70 -0.40 -1.57 0.00 0.00 175.55 174.82 1xd6 n ASP 97 N 0.66 0.89 0.31 2.29 5.68 -0.59 -1.87 116.55 123.92 1xd6 n ASP 97 Ca -0.11 -1.77 0.19 0.00 -0.50 0.00 0.00 54.79 52.61 1xd6 n ASP 97 Cb 0.52 -0.46 1.05 0.00 -1.14 0.00 0.00 41.12 41.10 1xd6 n ASP 97 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1xd6 h ASN 98 N -0.45 0.00 -0.10 -1.12 -1.07 -1.91 -1.42 115.58 109.52 1xd6 h ASN 98 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.14 1xd6 h ASN 98 Cb 0.84 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.09 1xd6 h ASN 98 CO 0.24 0.00 0.00 -1.20 0.07 0.00 0.00 177.43 176.54 1xd6 n SER 99 N -3.35 2.32 -0.93 6.14 7.64 -1.26 -4.94 113.62 119.25 1xd6 n SER 99 Ca -0.02 -1.78 -0.09 0.00 1.01 0.00 0.00 58.87 57.99 1xd6 n SER 99 Cb 0.14 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1xd6 n SER 99 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1xd6 n ASN 100 N 0.79 -3.47 -4.74 6.43 4.13 -0.53 -5.02 115.26 112.84 1xd6 n ASN 100 Ca 0.17 0.07 -0.37 0.00 1.68 0.00 0.00 54.58 56.13 1xd6 n ASN 100 Cb 0.47 -2.43 -0.07 0.00 -1.54 0.00 0.00 39.78 36.22 1xd6 n ASN 100 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1xd6 s ASN 101 N -2.69 6.50 0.02 6.41 0.01 -1.26 -4.87 114.94 119.05 1xd6 s ASN 101 Ca 0.00 0.58 -0.30 0.00 -0.71 0.00 0.00 52.86 52.43 1xd6 s ASN 101 Cb 0.00 -2.20 -0.07 0.00 0.41 0.00 0.00 41.25 39.39 1xd6 s ASN 101 CO 0.00 0.12 1.69 0.00 -1.51 0.00 0.00 177.10 177.40 1xd6 s ALA 102 N 0.29 3.64 -0.11 0.60 0.00 -1.26 -1.54 121.76 123.38 1xd6 s ALA 102 Ca 0.18 1.12 0.17 0.00 0.00 0.00 0.00 51.96 53.42 1xd6 s ALA 102 Cb -0.13 -3.73 -0.25 0.00 0.00 0.00 0.00 23.12 19.00 1xd6 s ALA 102 CO 0.05 -1.28 0.40 0.44 0.00 0.00 0.00 175.76 175.38 1xd6 n ILE 103 N 5.12 0.00 -3.70 0.00 -5.35 -0.12 -4.99 119.36 110.33 1xd6 n ILE 103 Ca 0.17 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 62.16 1xd6 n ILE 103 Cb 0.41 0.22 -0.09 0.00 -1.74 0.00 0.00 39.64 38.45 1xd6 n ILE 103 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1xd6 s TRP 104 N -3.08 -0.50 0.02 4.28 -0.00 -1.22 -4.96 118.94 113.48 1xd6 s TRP 104 Ca -0.05 1.15 -0.01 0.00 -0.00 0.00 0.00 56.10 57.19 1xd6 s TRP 104 Cb 0.11 0.19 -0.02 0.00 -0.00 0.00 0.00 33.47 33.75 1xd6 s TRP 104 CO 0.68 -0.31 -0.01 0.00 -0.00 0.00 0.00 176.95 177.32 1xd6 s ALA 105 N -0.09 0.06 -0.17 5.86 0.00 -1.26 -0.91 121.76 125.24 1xd6 s ALA 105 Ca -0.03 -0.51 0.28 0.00 0.00 0.00 0.00 51.96 51.70 1xd6 s ALA 105 Cb -0.03 0.14 0.87 0.00 0.00 0.00 0.00 23.12 24.10 1xd6 s ALA 105 CO 0.02 -0.16 1.80 0.66 0.00 0.00 0.00 175.76 178.08 1xd6 h SER 106 N 4.66 0.00 -1.81 0.00 4.64 -1.46 -3.48 113.55 116.10 1xd6 h SER 106 Ca -0.32 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.80 1xd6 h SER 106 Cb 1.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1xd6 h SER 106 CO 0.41 0.00 -0.27 0.61 -0.87 0.00 0.00 176.83 176.71 1xd6 n GLY 107 N 0.56 0.00 1.15 -0.77 0.00 -1.26 -4.94 105.19 99.92 1xd6 n GLY 107 Ca 0.02 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.70 1xd6 n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xd6 n THR 108 N -3.95 2.43 -1.91 2.61 -2.24 -1.26 -5.01 114.28 104.94 1xd6 n THR 108 Ca -0.10 -1.83 -0.41 0.00 -2.27 0.00 0.00 64.05 59.45 1xd6 n THR 108 Cb 0.58 -0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1xd6 n THR 108 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xd6 s ASN 109 N -1.71 6.47 0.00 3.42 4.22 -1.26 -4.19 114.94 121.89 1xd6 s ASN 109 Ca 0.45 2.92 0.17 0.00 -2.14 0.00 0.00 52.86 54.26 1xd6 s ASN 109 Cb 0.36 -2.66 0.13 0.00 1.28 0.00 0.00 41.25 40.36 1xd6 s ASN 109 CO 0.10 -0.77 1.02 1.33 -2.04 0.00 0.00 177.10 176.74