#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xd3 n GLY 3 N 0.00 0.39 3.76 8.31 0.00 -1.26 -5.01 105.19 111.37 1xd3 n GLY 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xd3 n GLY 3 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xd3 s GLN 4 N -0.61 2.44 -0.03 1.61 -2.07 -1.26 -4.94 119.66 114.80 1xd3 s GLN 4 Ca 0.00 1.33 0.04 0.00 -1.82 0.00 0.00 55.36 54.91 1xd3 s GLN 4 Cb 0.00 -1.91 -0.00 0.00 -1.09 0.00 0.00 33.01 30.01 1xd3 s GLN 4 CO 0.00 -1.52 -0.14 1.03 -1.32 0.00 0.00 175.29 173.34 1xd3 s ARG 5 N -4.45 1.36 0.54 9.60 0.52 -1.26 -2.96 118.95 122.31 1xd3 s ARG 5 Ca 0.65 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 1xd3 s ARG 5 Cb -0.20 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.05 1xd3 s ARG 5 CO 0.49 0.22 0.14 -1.58 0.02 0.00 0.00 175.30 174.58 1xd3 s TRP 6 N -0.00 1.65 0.06 -0.53 0.52 -0.30 -4.98 118.94 115.35 1xd3 s TRP 6 Ca -0.01 -0.97 -0.04 0.00 0.02 0.00 0.00 56.10 55.10 1xd3 s TRP 6 Cb -0.09 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 1xd3 s TRP 6 CO 0.01 -0.06 0.27 -0.51 0.02 0.00 0.00 176.95 176.69 1xd3 s LEU 7 N -4.05 4.34 0.23 2.99 1.43 -1.26 -4.57 118.68 117.79 1xd3 s LEU 7 Ca 0.11 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1xd3 s LEU 7 Cb -0.01 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.20 1xd3 s LEU 7 CO 0.07 0.18 1.15 -2.16 0.23 0.00 0.00 176.35 175.81 1xd3 s PRO 8 N -2.24 4.56 0.19 1.29 0.04 -1.26 -4.80 135.00 132.78 1xd3 s PRO 8 Ca 0.33 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 1xd3 s PRO 8 Cb -0.13 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 1xd3 s PRO 8 CO 0.22 0.06 0.69 -1.17 0.04 0.00 0.00 177.00 176.84 1xd3 s LEU 9 N -0.87 4.41 0.16 -3.56 2.96 -1.26 -4.86 118.68 115.65 1xd3 s LEU 9 Ca 0.49 1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 55.50 1xd3 s LEU 9 Cb -0.32 -3.42 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 1xd3 s LEU 9 CO 0.39 0.10 0.98 -0.70 -1.32 0.00 0.00 176.35 175.80 1xd3 s GLU 10 N -1.73 4.72 -1.11 1.98 2.12 -1.26 -4.94 118.70 118.48 1xd3 s GLU 10 Ca 0.39 1.51 -0.22 0.00 0.36 0.00 0.00 54.97 57.01 1xd3 s GLU 10 Cb -0.18 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 30.89 1xd3 s GLU 10 CO 0.21 0.27 1.71 0.00 -0.54 0.00 0.00 175.26 176.91 1xd3 s ALA 11 N -0.35 2.55 -0.12 6.30 0.00 -1.26 -4.74 121.76 124.14 1xd3 s ALA 11 Ca 0.46 -2.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.06 1xd3 s ALA 11 Cb -0.25 -4.60 0.06 0.00 0.00 0.00 0.00 23.12 18.33 1xd3 s ALA 11 CO 0.31 -4.01 0.26 1.21 0.00 0.00 0.00 175.76 173.54 1xd3 s ASN 12 N 5.56 0.17 0.41 0.00 3.84 -1.26 -5.04 114.94 118.62 1xd3 s ASN 12 Ca 0.57 0.59 0.11 0.00 0.21 0.00 0.00 52.86 54.33 1xd3 s ASN 12 Cb -0.00 0.63 0.93 0.00 -0.55 0.00 0.00 41.25 42.26 1xd3 s ASN 12 CO 0.01 -0.22 1.97 -0.65 -2.79 0.00 0.00 177.10 175.42 1xd3 h PRO 13 N 7.98 0.51 -0.64 0.43 0.11 -1.89 -0.87 132.00 137.63 1xd3 h PRO 13 Ca -0.21 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 1xd3 h PRO 13 Cb 1.13 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1xd3 h PRO 13 CO 0.20 0.34 0.25 0.93 -0.21 0.00 0.00 178.00 179.51 1xd3 h GLU 14 N 0.53 0.96 -0.09 1.05 5.08 -1.96 0.16 114.58 120.31 1xd3 h GLU 14 Ca 0.29 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xd3 h GLU 14 Cb 0.45 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xd3 h GLU 14 CO -0.09 0.81 -0.03 0.28 -1.00 0.00 0.00 179.01 178.98 1xd3 h VAL 15 N 0.91 1.31 -0.35 3.13 2.07 -1.60 -2.37 116.25 119.34 1xd3 h VAL 15 Ca 0.21 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1xd3 h VAL 15 Cb 0.21 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xd3 h VAL 15 CO -0.02 0.28 -0.21 0.71 0.02 0.00 0.00 177.57 178.35 1xd3 h THR 16 N -0.16 1.27 -0.35 2.57 1.35 -1.07 -0.84 112.91 115.68 1xd3 h THR 16 Ca 0.02 -1.29 -0.11 0.00 -0.55 0.00 0.00 66.41 64.48 1xd3 h THR 16 Cb 0.46 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1xd3 h THR 16 CO 0.01 0.43 -0.23 0.78 -0.25 0.00 0.00 175.52 176.25 1xd3 h ASN 17 N 0.60 0.71 -0.34 5.36 2.35 -0.71 -1.46 115.58 122.09 1xd3 h ASN 17 Ca 0.09 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.45 1xd3 h ASN 17 Cb 0.69 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1xd3 h ASN 17 CO 0.05 0.92 -0.29 -0.61 -1.65 0.00 0.00 177.43 175.86 1xd3 h GLN 18 N 0.61 0.85 -0.11 0.81 5.75 -1.18 -1.38 115.11 120.47 1xd3 h GLN 18 Ca 0.08 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1xd3 h GLN 18 Cb 0.72 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 1xd3 h GLN 18 CO 0.06 1.03 0.03 0.35 -2.65 0.00 0.00 178.83 177.64 1xd3 h PHE 19 N 0.72 0.05 -0.85 3.99 3.57 -0.90 -0.15 116.94 123.37 1xd3 h PHE 19 Ca 0.08 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1xd3 h PHE 19 Cb 0.84 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1xd3 h PHE 19 CO 0.05 0.02 0.41 -0.07 -2.23 0.00 0.00 178.31 176.50 1xd3 h LEU 20 N 0.08 1.10 -0.38 0.59 3.38 -1.11 -1.52 115.31 117.45 1xd3 h LEU 20 Ca 0.05 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1xd3 h LEU 20 Cb 0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1xd3 h LEU 20 CO -0.06 0.92 0.24 0.50 0.09 0.00 0.00 178.44 180.14 1xd3 h LYS 21 N 1.20 0.47 0.00 1.13 3.64 -0.85 -1.26 116.57 120.90 1xd3 h LYS 21 Ca 0.29 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1xd3 h LYS 21 Cb 0.11 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xd3 h LYS 21 CO -0.04 0.31 -0.13 1.96 -2.27 0.00 0.00 179.45 179.28 1xd3 h GLN 22 N 0.48 0.00 -0.27 1.90 1.08 -0.60 -0.59 115.11 117.11 1xd3 h GLN 22 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1xd3 h GLN 22 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 1xd3 h GLN 22 CO -0.05 0.13 0.00 1.28 -0.95 0.00 0.00 178.83 179.24 1xd3 n LEU 23 N -3.66 1.87 0.00 1.46 4.77 -0.61 -4.85 117.00 115.98 1xd3 n LEU 23 Ca -0.02 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1xd3 n LEU 23 Cb 0.25 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xd3 n LEU 23 CO 0.31 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1xd3 n GLY 24 N 1.12 0.67 3.76 -0.72 0.00 -0.23 -2.00 105.19 107.79 1xd3 n GLY 24 Ca 0.14 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1xd3 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xd3 s LEU 25 N 0.00 4.33 0.57 0.99 2.96 -0.54 -0.48 118.68 126.51 1xd3 s LEU 25 Ca 0.00 0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 54.53 1xd3 s LEU 25 Cb 0.00 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1xd3 s LEU 25 CO 0.00 0.12 1.08 -1.00 -1.32 0.00 0.00 176.35 175.23 1xd3 s HIS 26 N 0.08 2.86 -0.56 5.38 3.76 0.42 -4.14 115.29 123.09 1xd3 s HIS 26 Ca 0.23 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.68 1xd3 s HIS 26 Cb -0.15 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.43 1xd3 s HIS 26 CO 0.10 -1.25 0.65 -0.35 -0.85 0.00 0.00 174.74 173.03 1xd3 n PRO 27 N -1.73 0.90 -0.01 8.40 -0.04 -1.26 -4.11 135.00 137.16 1xd3 n PRO 27 Ca 0.10 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1xd3 n PRO 27 Cb 0.52 -1.28 0.72 0.00 -0.04 0.00 0.00 33.50 33.43 1xd3 n PRO 27 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xd3 n ASN 28 N 0.27 0.54 -4.09 3.54 6.94 -1.26 -4.48 115.26 116.71 1xd3 n ASN 28 Ca 0.00 -1.27 -0.27 0.00 -0.02 0.00 0.00 54.58 53.03 1xd3 n ASN 28 Cb 0.32 -0.01 -0.17 0.00 -2.36 0.00 0.00 39.78 37.57 1xd3 n ASN 28 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1xd3 s TRP 29 N -1.98 1.77 -0.04 -2.53 0.52 -1.26 -0.07 118.94 115.36 1xd3 s TRP 29 Ca 0.41 -0.65 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 1xd3 s TRP 29 Cb 0.20 -1.24 0.01 0.00 -1.15 0.00 0.00 33.47 31.29 1xd3 s TRP 29 CO 0.32 -0.29 0.10 -0.65 0.02 0.00 0.00 176.95 176.45 1xd3 s GLN 30 N 0.46 0.11 0.41 4.98 -1.52 0.29 -4.89 119.66 119.51 1xd3 s GLN 30 Ca -0.14 0.14 -0.24 0.00 -1.95 0.00 0.00 55.36 53.18 1xd3 s GLN 30 Cb -0.15 0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.60 1xd3 s GLN 30 CO 0.05 -0.02 1.06 -0.06 -0.25 0.00 0.00 175.29 176.07 1xd3 s PHE 31 N 0.08 3.21 0.10 0.91 0.08 -1.26 -1.05 117.98 120.05 1xd3 s PHE 31 Ca -0.00 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.69 1xd3 s PHE 31 Cb -0.01 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1xd3 s PHE 31 CO -0.00 -0.71 -0.07 0.14 -0.10 0.00 0.00 175.22 174.48 1xd3 s VAL 32 N -1.68 0.71 0.53 -0.44 -7.23 0.06 -4.81 120.40 107.55 1xd3 s VAL 32 Ca 0.59 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.68 1xd3 s VAL 32 Cb -0.22 -1.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 1xd3 s VAL 32 CO 0.27 -0.85 1.01 -1.81 -0.31 0.00 0.00 175.10 173.42 1xd3 s ASP 33 N -3.00 6.32 -0.24 4.85 1.01 -1.26 -1.07 116.67 123.28 1xd3 s ASP 33 Ca 0.11 1.70 -0.00 0.00 0.71 0.00 0.00 52.55 55.07 1xd3 s ASP 33 Cb 0.05 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.48 1xd3 s ASP 33 CO -0.04 -0.79 -0.09 -0.69 0.21 0.00 0.00 175.17 173.76 1xd3 s VAL 34 N -2.47 2.62 -0.36 -1.27 1.01 -1.02 -4.81 120.40 114.11 1xd3 s VAL 34 Ca 0.62 -1.10 0.22 0.00 0.00 0.00 0.00 61.98 61.72 1xd3 s VAL 34 Cb -0.13 -2.32 0.21 0.00 0.00 0.00 0.00 36.38 34.14 1xd3 s VAL 34 CO 0.31 0.23 1.41 1.88 0.00 0.00 0.00 175.10 178.92 1xd3 h TYR 35 N 7.96 0.00 -2.15 5.22 0.05 -1.89 -3.43 116.97 122.74 1xd3 h TYR 35 Ca -0.33 0.00 0.24 0.00 0.05 0.00 0.00 58.73 58.69 1xd3 h TYR 35 Cb 1.10 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.77 1xd3 h TYR 35 CO 0.57 0.03 0.70 0.20 -1.05 0.00 0.00 178.16 178.60 1xd3 s GLY 36 N -4.28 -0.13 0.00 3.88 0.00 -1.26 -5.05 107.32 100.47 1xd3 s GLY 36 Ca 0.04 0.07 0.18 0.00 0.00 0.00 0.00 44.72 45.02 1xd3 s GLY 36 CO 0.71 2.15 1.00 1.03 0.00 0.00 0.00 173.10 177.99 1xd3 n MET 37 N -0.65 1.58 -2.26 2.90 2.81 -1.26 -4.31 117.12 115.93 1xd3 n MET 37 Ca -0.03 -1.22 -0.29 0.00 -1.81 0.00 0.00 57.70 54.34 1xd3 n MET 37 Cb 0.60 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1xd3 n MET 37 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1xd3 s ASP 38 N -1.80 6.26 0.27 7.83 3.84 -1.26 -4.84 116.67 126.97 1xd3 s ASP 38 Ca 0.18 1.18 -0.01 0.00 -0.00 0.00 0.00 52.55 53.90 1xd3 s ASP 38 Cb 0.15 -2.36 0.59 0.00 -1.38 0.00 0.00 42.92 39.92 1xd3 s ASP 38 CO 0.34 -0.72 1.68 -0.65 -0.00 0.00 0.00 175.17 175.82 1xd3 h PRO 39 N -0.02 0.28 -0.58 2.11 0.11 -1.98 -0.25 132.00 131.67 1xd3 h PRO 39 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xd3 h PRO 39 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1xd3 h PRO 39 CO 0.62 0.19 0.38 1.49 -0.21 0.00 0.00 178.00 180.47 1xd3 h GLU 40 N 0.29 0.76 0.05 1.05 4.81 -1.98 0.83 114.58 120.39 1xd3 h GLU 40 Ca 0.49 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.42 1xd3 h GLU 40 Cb 0.90 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.12 1xd3 h GLU 40 CO -0.55 0.50 -1.06 -0.07 -0.73 0.00 0.00 179.01 177.10 1xd3 h LEU 41 N 0.78 0.60 -1.36 1.64 3.38 -1.69 -3.14 115.31 115.52 1xd3 h LEU 41 Ca 0.22 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 1xd3 h LEU 41 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1xd3 h LEU 41 CO -0.05 1.34 -0.29 -0.07 0.09 0.00 0.00 178.44 179.45 1xd3 h LEU 42 N 0.22 0.00 -2.22 1.67 3.38 -0.89 -2.37 115.31 115.10 1xd3 h LEU 42 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xd3 h LEU 42 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1xd3 h LEU 42 CO 0.19 0.29 0.00 0.28 0.09 0.00 0.00 178.44 179.29 1xd3 h SER 43 N 0.00 0.00 1.17 -0.43 0.02 -0.78 -1.66 113.55 111.87 1xd3 h SER 43 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xd3 h SER 43 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1xd3 h SER 43 CO 0.04 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 175.96 1xd3 n MET 44 N -3.05 0.10 -2.62 3.45 2.81 -0.89 -4.74 117.12 112.17 1xd3 n MET 44 Ca -0.01 0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 1xd3 n MET 44 Cb 0.18 -1.62 -0.02 0.00 -0.71 0.00 0.00 33.22 31.05 1xd3 n MET 44 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1xd3 s VAL 45 N -3.04 4.63 0.51 2.03 1.01 -0.63 -5.00 120.40 119.92 1xd3 s VAL 45 Ca 0.13 1.93 -0.23 0.00 0.00 0.00 0.00 61.98 63.80 1xd3 s VAL 45 Cb 0.16 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1xd3 s VAL 45 CO 0.55 -0.05 1.36 -2.84 0.00 0.00 0.00 175.10 174.12 1xd3 s PRO 46 N 2.46 3.35 0.19 2.72 0.02 -1.26 -5.03 135.00 137.45 1xd3 s PRO 46 Ca 0.49 2.25 0.09 0.00 0.02 0.00 0.00 61.00 63.85 1xd3 s PRO 46 Cb -0.19 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 1xd3 s PRO 46 CO 0.15 -1.03 -0.10 1.03 -0.33 0.00 0.00 177.00 176.72 1xd3 s ARG 47 N -2.75 2.04 0.76 5.54 1.81 -1.26 -4.33 118.95 120.75 1xd3 s ARG 47 Ca 0.68 -1.30 -0.11 0.00 -1.72 0.00 0.00 55.73 53.28 1xd3 s ARG 47 Cb -0.40 -2.14 0.04 0.00 -0.45 0.00 0.00 34.95 32.00 1xd3 s ARG 47 CO 0.49 0.43 1.08 -2.14 -0.68 0.00 0.00 175.30 174.48 1xd3 s PRO 48 N -2.87 2.44 -0.16 3.54 0.02 -1.26 -4.53 135.00 132.18 1xd3 s PRO 48 Ca 0.25 0.76 -0.00 0.00 0.02 0.00 0.00 61.00 62.03 1xd3 s PRO 48 Cb -0.09 -1.95 -0.00 0.00 0.02 0.00 0.00 34.50 32.48 1xd3 s PRO 48 CO 0.15 -1.40 -0.14 0.08 -0.33 0.00 0.00 177.00 175.36 1xd3 s VAL 49 N -3.12 2.72 -1.40 3.83 1.01 -1.26 -1.39 120.40 120.79 1xd3 s VAL 49 Ca 0.60 -0.75 0.14 0.00 0.00 0.00 0.00 61.98 61.97 1xd3 s VAL 49 Cb -0.14 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.11 1xd3 s VAL 49 CO 0.54 0.51 0.82 0.00 0.00 0.00 0.00 175.10 176.97 1xd3 s ALA 51 N -1.55 -1.88 -0.07 0.00 0.00 -1.25 -4.51 121.76 112.51 1xd3 s ALA 51 Ca 0.13 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.53 1xd3 s ALA 51 Cb 0.11 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1xd3 s ALA 51 CO 0.30 -0.39 -0.12 0.08 0.00 0.00 0.00 175.76 175.63 1xd3 s VAL 52 N -1.50 1.11 -0.20 0.00 1.01 -0.44 -0.58 120.40 119.80 1xd3 s VAL 52 Ca -0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1xd3 s VAL 52 Cb -0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1xd3 s VAL 52 CO 0.01 0.35 0.07 -0.76 0.00 0.00 0.00 175.10 174.77 1xd3 s LEU 53 N 0.76 3.71 -0.16 3.92 1.02 0.07 -0.57 118.68 127.42 1xd3 s LEU 53 Ca -0.13 -0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 1xd3 s LEU 53 Cb -0.15 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.08 1xd3 s LEU 53 CO 0.03 0.11 -0.10 -0.22 0.02 0.00 0.00 176.35 176.19 1xd3 s LEU 54 N 0.77 2.83 -0.19 1.79 2.96 -0.28 -1.34 118.68 125.21 1xd3 s LEU 54 Ca 0.04 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 53.53 1xd3 s LEU 54 Cb -0.13 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1xd3 s LEU 54 CO 0.02 0.11 0.12 -0.22 -1.32 0.00 0.00 176.35 175.07 1xd3 s LEU 55 N 0.68 4.18 0.18 -0.68 0.20 0.94 -1.35 118.68 122.83 1xd3 s LEU 55 Ca -0.05 0.23 -0.08 0.00 0.69 0.00 0.00 54.13 54.92 1xd3 s LEU 55 Cb -0.15 -2.08 -0.01 0.00 -0.43 0.00 0.00 46.19 43.52 1xd3 s LEU 55 CO 0.02 0.19 0.28 0.72 -0.29 0.00 0.00 176.35 177.27 1xd3 s PHE 56 N 0.29 0.52 -0.09 5.38 -0.12 -0.27 -1.38 117.98 122.32 1xd3 s PHE 56 Ca 0.08 -0.87 -0.26 0.00 -0.05 0.00 0.00 56.93 55.82 1xd3 s PHE 56 Cb -0.11 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 1xd3 s PHE 56 CO -0.01 -0.74 0.85 -2.14 -0.05 0.00 0.00 175.22 173.13 1xd3 s PRO 57 N -4.01 4.42 -1.19 1.99 0.02 -1.24 -0.79 135.00 134.22 1xd3 s PRO 57 Ca 0.21 1.13 -0.07 0.00 0.02 0.00 0.00 61.00 62.29 1xd3 s PRO 57 Cb 0.03 -3.50 0.23 0.00 0.02 0.00 0.00 34.50 31.28 1xd3 s PRO 57 CO 0.03 -0.14 1.69 0.44 -0.33 0.00 0.00 177.00 178.70 1xd3 n ILE 58 N 4.21 4.81 -1.98 2.83 -5.35 0.77 -4.79 119.36 119.84 1xd3 n ILE 58 Ca 0.04 -5.11 -0.29 0.00 -0.27 0.00 0.00 62.75 57.12 1xd3 n ILE 58 Cb 0.50 -2.23 0.15 0.00 -1.74 0.00 0.00 39.64 36.32 1xd3 n ILE 58 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1xd3 s THR 59 N -1.07 2.02 0.21 7.28 -4.23 -1.26 -4.84 115.64 113.75 1xd3 s THR 59 Ca 0.36 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1xd3 s THR 59 Cb 0.07 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 71.10 1xd3 s THR 59 CO 0.05 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.59 1xd3 h GLU 60 N -1.39 1.16 -0.67 3.99 5.08 -1.99 -0.68 114.58 120.09 1xd3 h GLU 60 Ca -0.44 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1xd3 h GLU 60 Cb 1.26 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1xd3 h GLU 60 CO 0.45 0.93 0.28 0.87 -1.00 0.00 0.00 179.01 180.54 1xd3 h LYS 61 N 1.13 0.99 -0.23 2.33 1.57 -1.95 -2.04 116.57 118.37 1xd3 h LYS 61 Ca 0.27 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1xd3 h LYS 61 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xd3 h LYS 61 CO -0.03 0.82 0.12 -0.92 -0.57 0.00 0.00 179.45 178.87 1xd3 h TYR 62 N 0.94 0.33 -0.36 -1.35 3.20 -1.73 -2.79 116.97 115.21 1xd3 h TYR 62 Ca 0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1xd3 h TYR 62 Cb 0.18 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1xd3 h TYR 62 CO 0.01 0.31 0.24 0.93 -1.64 0.00 0.00 178.16 178.01 1xd3 h GLU 63 N 0.25 0.46 -0.56 1.82 4.39 -0.77 0.10 114.58 120.26 1xd3 h GLU 63 Ca 0.08 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1xd3 h GLU 63 Cb 0.10 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1xd3 h GLU 63 CO -0.01 0.31 0.25 0.28 -1.16 0.00 0.00 179.01 178.68 1xd3 h VAL 64 N 0.48 1.21 -0.48 3.13 2.07 -1.13 -0.77 116.25 120.76 1xd3 h VAL 64 Ca 0.13 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 1xd3 h VAL 64 Cb -0.04 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1xd3 h VAL 64 CO -0.03 0.24 -0.08 0.15 0.02 0.00 0.00 177.57 177.87 1xd3 h PHE 65 N 0.76 1.01 -0.79 1.57 3.04 -0.97 -2.03 116.94 119.53 1xd3 h PHE 65 Ca 0.19 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1xd3 h PHE 65 Cb 0.14 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.37 1xd3 h PHE 65 CO 0.00 0.97 0.51 -0.09 -2.02 0.00 0.00 178.31 177.68 1xd3 h ARG 66 N 0.75 1.05 -0.36 1.11 2.43 -0.73 0.22 114.38 118.84 1xd3 h ARG 66 Ca 0.13 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1xd3 h ARG 66 Cb 0.63 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1xd3 h ARG 66 CO 0.04 0.71 0.17 1.15 -1.51 0.00 0.00 179.97 180.53 1xd3 h THR 67 N 1.07 1.17 -0.58 0.20 2.02 -0.99 -0.52 112.91 115.28 1xd3 h THR 67 Ca 0.29 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1xd3 h THR 67 Cb -0.10 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1xd3 h THR 67 CO -0.06 0.18 0.17 -0.33 0.37 0.00 0.00 175.52 175.85 1xd3 h GLU 68 N 0.44 0.91 -0.49 6.66 5.08 -0.85 -2.55 114.58 123.79 1xd3 h GLU 68 Ca 0.12 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xd3 h GLU 68 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1xd3 h GLU 68 CO -0.01 0.82 0.31 1.49 -1.00 0.00 0.00 179.01 180.62 1xd3 h GLU 69 N 0.82 0.65 -0.23 2.33 4.81 -0.25 -0.39 114.58 122.32 1xd3 h GLU 69 Ca 0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1xd3 h GLU 69 Cb 0.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xd3 h GLU 69 CO -0.00 0.46 0.15 1.49 -0.73 0.00 0.00 179.01 180.37 1xd3 h GLU 70 N 0.65 0.29 -0.29 1.92 4.81 -0.94 -0.23 114.58 120.80 1xd3 h GLU 70 Ca 0.18 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1xd3 h GLU 70 Cb -0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1xd3 h GLU 70 CO -0.04 0.19 -0.29 1.49 -0.73 0.00 0.00 179.01 179.64 1xd3 h GLU 71 N 0.30 0.61 -0.19 1.92 4.57 -1.28 -1.01 114.58 119.50 1xd3 h GLU 71 Ca 0.09 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1xd3 h GLU 71 Cb -0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1xd3 h GLU 71 CO -0.03 0.83 0.12 -0.22 -1.18 0.00 0.00 179.01 178.53 1xd3 h LYS 72 N 0.52 0.25 -0.47 1.92 3.64 -0.65 0.84 116.57 122.62 1xd3 h LYS 72 Ca 0.07 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1xd3 h LYS 72 Cb 0.77 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1xd3 h LYS 72 CO 0.06 0.20 -0.10 0.82 -2.27 0.00 0.00 179.45 178.17 1xd3 h ILE 73 N 0.23 1.26 -0.32 2.00 2.04 -0.88 0.31 117.51 122.15 1xd3 h ILE 73 Ca 0.07 -1.18 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 1xd3 h ILE 73 Cb 0.01 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1xd3 h ILE 73 CO -0.01 0.41 -0.33 0.11 0.00 0.00 0.00 178.15 178.33 1xd3 h LYS 74 N 0.77 0.70 0.00 2.37 1.57 -1.00 0.10 116.57 121.08 1xd3 h LYS 74 Ca 0.13 -0.32 -0.22 0.00 -1.87 0.00 0.00 60.65 58.37 1xd3 h LYS 74 Cb 0.60 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1xd3 h LYS 74 CO 0.04 0.93 -1.17 0.66 -0.57 0.00 0.00 179.45 179.33 1xd3 h SER 75 N 0.59 0.00 0.00 0.86 4.64 -0.54 -3.37 113.55 115.73 1xd3 h SER 75 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xd3 h SER 75 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1xd3 h SER 75 CO 0.07 0.90 -1.48 0.00 -0.87 0.00 0.00 176.83 175.45 1xd3 n GLN 76 N -3.21 0.82 0.00 4.77 6.02 0.11 -5.08 117.38 120.81 1xd3 n GLN 76 Ca -0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1xd3 n GLN 76 Cb 0.94 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.88 1xd3 n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xd3 n GLY 77 N 1.59 -2.04 3.77 1.08 0.00 0.35 -5.03 105.19 104.91 1xd3 n GLY 77 Ca -0.02 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 1xd3 n GLY 77 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xd3 s GLN 78 N -2.50 1.65 -0.14 1.61 -2.07 -1.26 -4.83 119.66 112.12 1xd3 s GLN 78 Ca 0.00 -0.87 -0.07 0.00 -1.82 0.00 0.00 55.36 52.61 1xd3 s GLN 78 Cb 0.00 0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 1xd3 s GLN 78 CO 0.00 -0.75 0.09 -0.51 -1.32 0.00 0.00 175.29 172.80 1xd3 s ASP 79 N -2.88 5.94 -0.14 12.60 1.01 -1.26 -5.07 116.67 126.87 1xd3 s ASP 79 Ca 0.09 0.26 -0.04 0.00 0.71 0.00 0.00 52.55 53.58 1xd3 s ASP 79 Cb -0.05 -1.94 0.05 0.00 1.01 0.00 0.00 42.92 42.00 1xd3 s ASP 79 CO 0.03 0.30 0.07 -0.69 0.21 0.00 0.00 175.17 175.09 1xd3 s VAL 80 N -0.38 0.03 0.56 -1.27 1.01 -1.26 -4.66 120.40 114.43 1xd3 s VAL 80 Ca 0.10 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1xd3 s VAL 80 Cb -0.12 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1xd3 s VAL 80 CO 0.02 -0.12 1.22 0.28 0.00 0.00 0.00 175.10 176.49 1xd3 s THR 81 N 2.10 2.67 0.41 3.92 -1.32 -1.26 -4.90 115.64 117.26 1xd3 s THR 81 Ca 0.03 0.45 0.40 0.00 -1.21 0.00 0.00 61.69 61.35 1xd3 s THR 81 Cb -0.15 -3.20 0.42 0.00 -1.51 0.00 0.00 72.50 68.07 1xd3 s THR 81 CO -0.07 -0.07 2.20 0.77 -2.21 0.00 0.00 174.62 175.24 1xd3 h SER 82 N 1.20 0.00 0.62 8.08 4.64 -2.01 -2.61 113.55 123.46 1xd3 h SER 82 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 1xd3 h SER 82 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1xd3 h SER 82 CO 0.56 0.00 -0.18 0.28 -0.87 0.00 0.00 176.83 176.63 1xd3 h SER 83 N 0.00 0.00 -3.20 4.97 0.02 -2.00 -3.44 113.55 109.90 1xd3 h SER 83 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1xd3 h SER 83 Cb 0.23 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.82 1xd3 h SER 83 CO 0.00 0.18 0.80 -0.69 -1.14 0.00 0.00 176.83 175.98 1xd3 s VAL 84 N -3.94 2.65 -0.31 2.27 1.01 -0.99 -4.98 120.40 116.12 1xd3 s VAL 84 Ca -0.01 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1xd3 s VAL 84 Cb 0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1xd3 s VAL 84 CO 0.61 0.07 0.19 -0.47 0.00 0.00 0.00 175.10 175.50 1xd3 s TYR 85 N 0.37 3.20 -0.02 5.22 6.14 -1.26 -5.06 117.35 125.95 1xd3 s TYR 85 Ca 0.63 -0.21 0.04 0.00 0.64 0.00 0.00 57.07 58.17 1xd3 s TYR 85 Cb -0.42 -2.41 -0.01 0.00 0.42 0.00 0.00 41.96 39.54 1xd3 s TYR 85 CO 0.39 -0.32 -0.15 0.12 0.64 0.00 0.00 175.55 176.23 1xd3 s PHE 86 N 1.70 1.39 0.02 4.97 5.36 -1.26 -4.83 117.98 125.33 1xd3 s PHE 86 Ca 0.06 -0.30 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1xd3 s PHE 86 Cb -0.17 -0.91 -0.01 0.00 -0.34 0.00 0.00 43.02 41.59 1xd3 s PHE 86 CO 0.09 -0.06 -0.08 0.00 -1.46 0.00 0.00 175.22 173.71 1xd3 s MET 87 N -0.23 0.60 0.53 10.12 0.23 -1.26 -3.99 119.30 125.31 1xd3 s MET 87 Ca 0.03 -0.52 -0.11 0.00 -1.03 0.00 0.00 55.69 54.06 1xd3 s MET 87 Cb -0.07 -0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.66 1xd3 s MET 87 CO -0.00 0.13 0.92 0.15 -2.03 0.00 0.00 175.02 174.19 1xd3 s LYS 88 N -0.85 3.68 -0.30 3.16 -0.14 -0.96 -4.15 119.74 120.17 1xd3 s LYS 88 Ca -0.02 0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 55.09 1xd3 s LYS 88 Cb -0.06 -2.21 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 1xd3 s LYS 88 CO 0.00 -0.34 0.19 -1.14 -0.76 0.00 0.00 175.35 173.31 1xd3 s GLN 89 N -4.64 3.70 0.00 1.68 0.74 -0.13 -4.41 119.66 116.60 1xd3 s GLN 89 Ca 0.53 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.45 1xd3 s GLN 89 Cb -0.10 -3.67 0.00 0.00 1.10 0.00 0.00 33.01 30.33 1xd3 s GLN 89 CO 0.44 -0.30 0.67 0.25 -0.55 0.00 0.00 175.29 175.79 1xd3 n THR 90 N 5.06 0.44 -4.66 -0.34 -2.24 -1.26 -4.78 114.28 106.49 1xd3 n THR 90 Ca -0.14 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 60.82 1xd3 n THR 90 Cb 0.51 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 69.46 1xd3 n THR 90 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xd3 s ILE 91 N -0.44 1.90 0.27 2.28 1.01 -1.26 -4.68 121.20 120.28 1xd3 s ILE 91 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1xd3 s ILE 91 Cb 0.00 -1.69 -0.11 0.00 0.01 0.00 0.00 42.46 40.67 1xd3 s ILE 91 CO 0.00 0.52 1.62 -0.44 0.00 0.00 0.00 174.94 176.64 1xd3 s SER 92 N 0.82 6.39 -0.29 3.58 0.01 -1.15 -2.31 113.70 120.74 1xd3 s SER 92 Ca -0.08 2.91 0.00 0.00 1.31 0.00 0.00 55.95 60.09 1xd3 s SER 92 Cb -0.16 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1xd3 s SER 92 CO -0.01 -0.92 0.00 0.59 0.41 0.00 0.00 173.24 173.31 1xd3 n ASN 93 N 2.63 -4.85 -0.57 2.44 3.02 -1.26 -1.15 115.26 115.51 1xd3 n ASN 93 Ca 0.10 0.07 0.10 0.00 -0.03 0.00 0.00 54.58 54.82 1xd3 n ASN 93 Cb 0.37 -2.60 0.36 0.00 -0.61 0.00 0.00 39.78 37.30 1xd3 n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xd3 n ALA 94 N 1.05 2.51 -0.19 5.41 0.00 -0.98 -4.33 120.51 123.98 1xd3 n ALA 94 Ca -0.03 -0.54 0.21 0.00 0.00 0.00 0.00 53.44 53.09 1xd3 n ALA 94 Cb 0.34 -1.07 0.58 0.00 0.00 0.00 0.00 19.45 19.30 1xd3 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xd3 h GLY 96 N 0.26 0.65 1.00 0.00 0.00 -1.89 0.95 103.07 104.04 1xd3 h GLY 96 Ca 0.43 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1xd3 h GLY 96 CO -0.11 0.41 0.07 -0.84 0.00 0.00 0.00 176.54 176.07 1xd3 h THR 97 N 0.43 1.26 -0.55 4.70 2.02 -1.52 -1.40 112.91 117.85 1xd3 h THR 97 Ca 0.11 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.23 1xd3 h THR 97 Cb 0.39 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1xd3 h THR 97 CO 0.01 0.35 0.04 0.40 0.37 0.00 0.00 175.52 176.69 1xd3 h ILE 98 N 0.76 1.25 -0.62 3.11 2.04 -1.05 0.14 117.51 123.15 1xd3 h ILE 98 Ca 0.16 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1xd3 h ILE 98 Cb 0.43 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1xd3 h ILE 98 CO 0.01 0.37 0.21 1.23 0.00 0.00 0.00 178.15 179.98 1xd3 h GLY 99 N 1.00 1.03 1.05 5.37 0.00 -0.55 0.43 103.07 111.39 1xd3 h GLY 99 Ca 0.17 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1xd3 h GLY 99 CO 0.02 0.55 -0.20 1.41 0.00 0.00 0.00 176.54 178.32 1xd3 h LEU 100 N 0.88 0.91 -0.52 3.11 3.38 -0.82 -1.16 115.31 121.10 1xd3 h LEU 100 Ca 0.20 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1xd3 h LEU 100 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xd3 h LEU 100 CO -0.01 1.11 0.26 0.40 0.09 0.00 0.00 178.44 180.29 1xd3 h ILE 101 N 0.71 1.19 -0.78 1.22 2.04 -0.52 -1.29 117.51 120.09 1xd3 h ILE 101 Ca 0.10 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1xd3 h ILE 101 Cb 0.76 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1xd3 h ILE 101 CO 0.06 0.21 0.48 0.45 0.00 0.00 0.00 178.15 179.35 1xd3 h HIS 102 N 0.69 1.02 -0.40 1.37 3.86 -0.71 0.25 115.15 121.23 1xd3 h HIS 102 Ca 0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1xd3 h HIS 102 Cb 0.10 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.21 1xd3 h HIS 102 CO -0.01 0.68 0.16 0.00 0.86 0.00 0.00 177.93 179.62 1xd3 h ALA 103 N 1.26 0.52 0.04 2.45 0.00 -0.85 -2.61 119.26 120.06 1xd3 h ALA 103 Ca 0.28 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 1xd3 h ALA 103 Cb -0.05 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xd3 h ALA 103 CO -0.05 0.12 -0.91 0.82 0.00 0.00 0.00 179.25 179.22 1xd3 h ILE 104 N 0.50 1.35 -0.85 0.00 1.08 -1.01 -3.27 117.51 115.32 1xd3 h ILE 104 Ca 0.13 -2.26 0.06 0.00 -0.39 0.00 0.00 64.86 62.40 1xd3 h ILE 104 Cb 0.18 2.61 -0.05 0.00 -3.07 0.00 0.00 36.82 36.48 1xd3 h ILE 104 CO -0.01 0.68 0.56 0.00 -0.69 0.00 0.00 178.15 178.68 1xd3 h ALA 105 N 0.31 1.55 -0.06 1.87 0.00 -0.54 0.64 119.26 123.04 1xd3 h ALA 105 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xd3 h ALA 105 Cb 1.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xd3 h ALA 105 CO 0.18 0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.85 1xd3 n ASN 106 N -4.48 0.80 -0.66 0.00 3.02 -0.99 -3.29 115.26 109.67 1xd3 n ASN 106 Ca 0.12 -1.46 0.03 0.00 -0.03 0.00 0.00 54.58 53.24 1xd3 n ASN 106 Cb 0.19 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 1xd3 n ASN 106 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xd3 n ASN 107 N -0.29 0.68 -0.27 6.41 3.02 -0.44 -4.94 115.26 119.42 1xd3 n ASN 107 Ca 0.17 -2.28 0.06 0.00 -0.03 0.00 0.00 54.58 52.50 1xd3 n ASN 107 Cb 0.21 -0.28 0.21 0.00 -0.61 0.00 0.00 39.78 39.31 1xd3 n ASN 107 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1xd3 h LYS 108 N 0.28 0.46 0.00 3.52 3.64 -0.92 -0.53 116.57 123.02 1xd3 h LYS 108 Ca -0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xd3 h LYS 108 Cb 1.42 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1xd3 h LYS 108 CO 0.02 0.31 0.00 -0.44 -2.27 0.00 0.00 179.45 177.07 1xd3 h ASP 109 N 0.48 0.00 0.21 4.20 3.32 -1.89 -1.90 116.42 120.84 1xd3 h ASP 109 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1xd3 h ASP 109 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1xd3 h ASP 109 CO -0.41 0.00 -0.45 0.29 -1.72 0.00 0.00 179.24 176.95 1xd3 n LYS 110 N -2.38 0.62 -3.50 3.56 5.02 -0.21 -4.96 118.16 116.30 1xd3 n LYS 110 Ca -0.00 -0.43 -0.29 0.00 -2.02 0.00 0.00 58.31 55.57 1xd3 n LYS 110 Cb 0.13 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.61 1xd3 n LYS 110 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1xd3 s MET 111 N -2.67 3.61 -0.28 1.97 -1.94 -0.72 -5.04 119.30 114.23 1xd3 s MET 111 Ca 0.18 -0.10 -0.00 0.00 -1.71 0.00 0.00 55.69 54.06 1xd3 s MET 111 Cb 0.18 -2.74 0.05 0.00 2.01 0.00 0.00 34.83 34.34 1xd3 s MET 111 CO 0.62 0.32 -0.04 -1.58 -0.01 0.00 0.00 175.02 174.32 1xd3 s HIS 112 N -1.93 3.23 0.03 -0.03 2.46 -1.26 -5.06 115.29 112.72 1xd3 s HIS 112 Ca 0.42 -1.95 0.01 0.00 0.47 0.00 0.00 55.06 54.01 1xd3 s HIS 112 Cb -0.11 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 30.25 1xd3 s HIS 112 CO 0.28 -0.82 0.05 -0.06 -2.47 0.00 0.00 174.74 171.73 1xd3 s PHE 113 N 1.22 3.18 0.71 3.88 0.08 -1.26 -0.43 117.98 125.36 1xd3 s PHE 113 Ca -0.05 0.12 -0.13 0.00 0.12 0.00 0.00 56.93 56.98 1xd3 s PHE 113 Cb -0.19 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1xd3 s PHE 113 CO -0.03 0.51 1.11 -1.21 -0.10 0.00 0.00 175.22 175.51 1xd3 s GLU 114 N -1.93 2.48 0.10 0.44 2.02 0.37 -4.92 118.70 117.27 1xd3 s GLU 114 Ca 0.24 1.35 -0.30 0.00 0.02 0.00 0.00 54.97 56.28 1xd3 s GLU 114 Cb -0.12 -1.91 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 1xd3 s GLU 114 CO 0.16 -1.49 1.12 -1.54 0.02 0.00 0.00 175.26 173.52 1xd3 s SER 115 N -2.81 7.22 0.00 -0.19 1.04 -1.26 -1.87 113.70 115.82 1xd3 s SER 115 Ca 0.66 1.99 0.00 0.00 0.48 0.00 0.00 55.95 59.07 1xd3 s SER 115 Cb -0.20 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1xd3 s SER 115 CO 0.47 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1xd3 n GLY 116 N 2.63 0.89 3.62 7.32 0.00 -1.26 -5.00 105.19 113.39 1xd3 n GLY 116 Ca 0.06 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.49 1xd3 n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xd3 n SER 117 N 0.00 1.18 0.12 1.61 2.88 -0.78 -4.84 113.62 113.79 1xd3 n SER 117 Ca 0.00 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.66 1xd3 n SER 117 Cb 0.00 -1.03 0.19 0.00 -0.75 0.00 0.00 64.21 62.62 1xd3 n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xd3 h THR 118 N 3.94 1.38 -0.16 2.46 1.03 -1.83 -1.86 112.91 117.88 1xd3 h THR 118 Ca -0.48 -1.84 -0.16 0.00 -0.01 0.00 0.00 66.41 63.92 1xd3 h THR 118 Cb 1.37 1.95 0.01 0.00 -1.07 0.00 0.00 68.15 70.40 1xd3 h THR 118 CO 0.81 0.54 -0.54 0.25 -0.01 0.00 0.00 175.52 176.57 1xd3 h LEU 119 N 0.09 0.75 -0.67 0.00 5.85 -1.72 -1.27 115.31 118.33 1xd3 h LEU 119 Ca -0.00 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.15 1xd3 h LEU 119 Cb 0.98 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1xd3 h LEU 119 CO 0.08 1.22 0.42 0.50 -0.34 0.00 0.00 178.44 180.32 1xd3 h LYS 120 N 0.32 0.80 -0.46 1.25 3.64 -1.74 -0.29 116.57 120.09 1xd3 h LYS 120 Ca -0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1xd3 h LYS 120 Cb 1.16 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1xd3 h LYS 120 CO 0.11 0.53 0.23 -0.22 -2.27 0.00 0.00 179.45 177.83 1xd3 h LYS 121 N 0.82 0.65 -0.40 1.90 3.64 -1.22 0.57 116.57 122.52 1xd3 h LYS 121 Ca 0.27 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1xd3 h LYS 121 Cb 0.02 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1xd3 h LYS 121 CO -0.11 0.54 0.24 0.35 -2.27 0.00 0.00 179.45 178.20 1xd3 h PHE 122 N 0.60 0.44 -0.63 1.91 3.57 -0.69 -1.08 116.94 121.05 1xd3 h PHE 122 Ca 0.16 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1xd3 h PHE 122 Cb 0.09 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1xd3 h PHE 122 CO -0.01 0.26 0.04 -0.07 -2.23 0.00 0.00 178.31 176.29 1xd3 h LEU 123 N 0.48 1.06 -0.58 0.59 3.38 -0.74 -1.43 115.31 118.06 1xd3 h LEU 123 Ca 0.16 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1xd3 h LEU 123 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1xd3 h LEU 123 CO -0.08 1.08 -0.25 -0.33 0.09 0.00 0.00 178.44 178.96 1xd3 h GLU 124 N 1.00 0.87 0.00 1.13 5.08 -0.64 -1.58 114.58 120.44 1xd3 h GLU 124 Ca 0.18 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 58.03 1xd3 h GLU 124 Cb 0.52 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1xd3 h GLU 124 CO 0.02 1.02 -0.66 0.93 -1.00 0.00 0.00 179.01 179.32 1xd3 h GLU 125 N 0.75 0.00 -0.23 2.33 4.39 -1.13 -3.25 114.58 117.44 1xd3 h GLU 125 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1xd3 h GLU 125 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1xd3 h GLU 125 CO 0.07 0.66 0.00 -1.13 -1.16 0.00 0.00 179.01 177.45 1xd3 n SER 126 N -3.72 3.27 -0.24 1.42 3.41 -0.55 -4.57 113.62 112.65 1xd3 n SER 126 Ca -0.01 -2.00 0.11 0.00 -0.26 0.00 0.00 58.87 56.71 1xd3 n SER 126 Cb 0.66 -0.14 0.38 0.00 -0.26 0.00 0.00 64.21 64.85 1xd3 n SER 126 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1xd3 h VAL 127 N 4.59 0.87 -0.54 -3.33 3.04 -1.32 -2.33 116.25 117.23 1xd3 h VAL 127 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 1xd3 h VAL 127 Cb 1.00 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1xd3 h VAL 127 CO 0.00 0.13 0.00 -1.20 -1.01 0.00 0.00 177.57 175.49 1xd3 n SER 128 N -4.53 3.55 -4.89 3.17 7.64 -1.26 -4.98 113.62 112.31 1xd3 n SER 128 Ca 0.16 -2.07 -0.29 0.00 1.01 0.00 0.00 58.87 57.68 1xd3 n SER 128 Cb 0.42 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 1xd3 n SER 128 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1xd3 s MET 129 N -1.12 3.62 0.77 1.43 -1.94 -0.88 -5.08 119.30 116.10 1xd3 s MET 129 Ca 0.37 0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 54.59 1xd3 s MET 129 Cb 0.20 -2.34 0.05 0.00 2.01 0.00 0.00 34.83 34.75 1xd3 s MET 129 CO 0.24 -0.20 1.12 -1.54 -0.01 0.00 0.00 175.02 174.63 1xd3 s SER 130 N -3.83 4.83 0.35 3.03 1.04 -1.26 -4.80 113.70 113.06 1xd3 s SER 130 Ca 0.50 1.04 0.06 0.00 0.48 0.00 0.00 55.95 58.03 1xd3 s SER 130 Cb -0.10 -1.72 0.74 0.00 0.10 0.00 0.00 66.02 65.03 1xd3 s SER 130 CO 0.42 -1.72 1.91 -0.65 0.98 0.00 0.00 173.24 174.17 1xd3 h PRO 131 N -0.92 0.76 -0.27 4.02 0.11 -1.98 0.00 132.00 133.71 1xd3 h PRO 131 Ca -0.46 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 1xd3 h PRO 131 Cb 1.29 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xd3 h PRO 131 CO 0.63 0.50 -0.39 0.93 -0.21 0.00 0.00 178.00 179.47 1xd3 h GLU 132 N 0.78 0.75 -0.26 1.05 3.07 -1.92 -2.47 114.58 115.57 1xd3 h GLU 132 Ca 0.39 -0.44 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1xd3 h GLU 132 Cb 0.46 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1xd3 h GLU 132 CO -0.16 1.06 -0.14 0.93 -1.40 0.00 0.00 179.01 179.31 1xd3 h GLU 133 N 0.49 0.44 -0.53 2.33 5.08 -1.70 -1.94 114.58 118.75 1xd3 h GLU 133 Ca 0.03 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1xd3 h GLU 133 Cb 0.98 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1xd3 h GLU 133 CO 0.09 0.58 -0.02 0.00 -1.00 0.00 0.00 179.01 178.66 1xd3 h ARG 134 N 0.41 0.91 -0.51 2.33 3.08 -0.96 0.71 114.38 120.35 1xd3 h ARG 134 Ca 0.08 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 1xd3 h ARG 134 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1xd3 h ARG 134 CO 0.03 0.91 -0.02 0.00 -1.07 0.00 0.00 179.97 179.82 1xd3 h ALA 135 N 1.14 0.69 -0.64 0.04 0.00 -1.10 -0.94 119.26 118.46 1xd3 h ALA 135 Ca 0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xd3 h ALA 135 Cb 0.52 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xd3 h ALA 135 CO 0.03 0.52 0.16 0.00 0.00 0.00 0.00 179.25 179.96 1xd3 h ARG 136 N 0.78 0.99 -0.61 0.00 2.47 -0.96 -2.11 114.38 114.94 1xd3 h ARG 136 Ca 0.14 -0.22 -0.05 0.00 -1.26 0.00 0.00 59.98 58.60 1xd3 h ARG 136 Cb 0.55 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1xd3 h ARG 136 CO 0.03 0.88 0.19 -0.92 0.56 0.00 0.00 179.97 180.71 1xd3 h TYR 137 N 0.95 0.99 -0.64 3.04 3.20 -0.53 -2.35 116.97 121.63 1xd3 h TYR 137 Ca 0.20 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1xd3 h TYR 137 Cb 0.33 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1xd3 h TYR 137 CO 0.02 0.81 0.33 1.25 -1.64 0.00 0.00 178.16 178.93 1xd3 h LEU 138 N 0.87 0.80 -2.73 2.82 5.85 -0.80 -1.27 115.31 120.86 1xd3 h LEU 138 Ca 0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xd3 h LEU 138 Cb 0.29 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1xd3 h LEU 138 CO -0.01 0.67 0.07 -0.33 -0.34 0.00 0.00 178.44 178.50 1xd3 h GLU 139 N 0.90 0.00 -0.07 1.25 5.08 -0.83 -2.13 114.58 118.77 1xd3 h GLU 139 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1xd3 h GLU 139 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xd3 h GLU 139 CO -0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 1xd3 n ASN 140 N -3.16 1.88 -4.40 1.42 3.02 -0.54 -4.90 115.26 108.56 1xd3 n ASN 140 Ca -0.03 -1.52 -0.45 0.00 -0.03 0.00 0.00 54.58 52.56 1xd3 n ASN 140 Cb 0.14 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1xd3 n ASN 140 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xd3 s TYR 141 N -0.69 3.49 0.24 3.10 5.04 -0.80 -4.91 117.35 122.82 1xd3 s TYR 141 Ca 0.10 -1.82 -0.04 0.00 -2.44 0.00 0.00 57.07 52.86 1xd3 s TYR 141 Cb 0.06 -4.10 0.45 0.00 0.35 0.00 0.00 41.96 38.72 1xd3 s TYR 141 CO 0.08 -1.27 1.73 -0.44 -1.34 0.00 0.00 175.55 174.32 1xd3 h ASP 142 N 8.04 0.29 -0.79 4.32 3.32 -1.90 -2.50 116.42 127.19 1xd3 h ASP 142 Ca 0.17 0.11 0.14 0.00 0.02 0.00 0.00 57.03 57.46 1xd3 h ASP 142 Cb 0.99 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.53 1xd3 h ASP 142 CO 1.01 0.11 0.36 0.00 -1.72 0.00 0.00 179.24 179.00 1xd3 h ALA 143 N 1.54 1.14 0.04 3.45 0.00 -1.98 0.18 119.26 123.63 1xd3 h ALA 143 Ca 0.41 0.09 -0.26 0.00 0.00 0.00 0.00 54.91 55.16 1xd3 h ALA 143 Cb 0.62 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xd3 h ALA 143 CO -0.40 -0.14 -1.07 0.82 0.00 0.00 0.00 179.25 178.46 1xd3 h ILE 144 N 0.54 1.34 -0.53 0.00 2.04 -1.85 -2.27 117.51 116.78 1xd3 h ILE 144 Ca 0.43 -2.43 0.04 0.00 1.00 0.00 0.00 64.86 63.90 1xd3 h ILE 144 Cb 0.60 2.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.15 1xd3 h ILE 144 CO -0.37 0.74 0.28 -0.09 0.00 0.00 0.00 178.15 178.70 1xd3 h ARG 145 N 0.29 0.52 -0.44 2.37 2.43 -0.96 0.02 114.38 118.61 1xd3 h ARG 145 Ca -0.13 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1xd3 h ARG 145 Cb 1.73 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.14 1xd3 h ARG 145 CO 0.20 0.34 -0.02 0.28 -1.51 0.00 0.00 179.97 179.26 1xd3 h VAL 146 N 0.54 1.26 -0.59 0.20 2.07 -0.68 -2.11 116.25 116.94 1xd3 h VAL 146 Ca 0.23 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 1xd3 h VAL 146 Cb 0.13 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1xd3 h VAL 146 CO -0.15 0.37 -0.02 0.74 0.02 0.00 0.00 177.57 178.52 1xd3 h THR 147 N 0.62 1.27 -0.55 2.57 2.02 -1.13 -1.90 112.91 115.81 1xd3 h THR 147 Ca 0.12 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1xd3 h THR 147 Cb 0.52 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1xd3 h THR 147 CO 0.03 0.42 0.35 -0.74 0.37 0.00 0.00 175.52 175.95 1xd3 h HIS 148 N 0.95 0.70 -0.12 3.16 6.17 -0.89 0.34 115.15 125.46 1xd3 h HIS 148 Ca 0.17 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.27 1xd3 h HIS 148 Cb 0.58 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.26 1xd3 h HIS 148 CO 0.04 0.46 -0.00 1.49 0.71 0.00 0.00 177.93 180.63 1xd3 h GLU 149 N 0.74 0.04 -0.44 5.26 4.57 -1.14 0.16 114.58 123.78 1xd3 h GLU 149 Ca 0.20 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1xd3 h GLU 149 Cb -0.06 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1xd3 h GLU 149 CO -0.04 0.02 0.27 1.15 -1.18 0.00 0.00 179.01 179.24 1xd3 h THR 150 N 0.04 1.13 -0.04 0.32 2.02 -1.02 -2.44 112.91 112.91 1xd3 h THR 150 Ca 0.06 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1xd3 h THR 150 Cb 0.07 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1xd3 h THR 150 CO -0.10 0.13 -0.28 0.28 0.37 0.00 0.00 175.52 175.92 1xd3 h SER 151 N 0.58 0.07 0.30 4.18 0.02 -0.59 -2.58 113.55 115.53 1xd3 h SER 151 Ca 0.16 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1xd3 h SER 151 Cb -0.03 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1xd3 h SER 151 CO -0.03 0.36 -0.07 0.00 -1.14 0.00 0.00 176.83 175.94 1xd3 h ALA 152 N 1.65 1.28 -0.00 3.77 0.00 -0.18 -1.53 119.26 124.24 1xd3 h ALA 152 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xd3 h ALA 152 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xd3 h ALA 152 CO 0.04 0.09 -0.22 0.72 0.00 0.00 0.00 179.25 179.88 1xd3 n HIS 153 N -3.58 0.00 -2.57 0.00 8.25 -0.97 -4.49 115.22 111.86 1xd3 n HIS 153 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 1xd3 n HIS 153 Cb 0.19 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1xd3 n HIS 153 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xd3 s GLU 154 N -2.61 2.55 0.00 -0.41 2.02 -0.58 -4.75 118.70 114.92 1xd3 s GLU 154 Ca 0.23 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1xd3 s GLU 154 Cb 0.19 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1xd3 s GLU 154 CO 0.53 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1xd3 n GLY 155 N -2.46 1.09 0.14 -1.39 0.00 -1.26 -4.73 105.19 96.58 1xd3 n GLY 155 Ca 0.07 -2.29 0.01 0.00 0.00 0.00 0.00 46.02 43.81 1xd3 n GLY 155 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xd3 h GLN 156 N 0.00 0.00 -6.22 1.61 4.15 -1.99 -3.46 115.11 109.20 1xd3 h GLN 156 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1xd3 h GLN 156 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 1xd3 h GLN 156 CO 0.00 0.57 -0.58 0.95 -1.93 0.00 0.00 178.83 177.84 1xd3 s THR 157 N -3.10 4.10 0.29 2.39 -4.23 -1.26 -5.10 115.64 108.73 1xd3 s THR 157 Ca 0.02 -1.48 -0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1xd3 s THR 157 Cb 0.09 -3.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.67 1xd3 s THR 157 CO 0.75 -0.28 0.94 -1.83 -0.54 0.00 0.00 174.62 173.66 1xd3 s GLU 158 N -3.53 4.68 0.27 3.99 1.03 -1.26 -4.86 118.70 119.01 1xd3 s GLU 158 Ca 0.31 1.38 -0.29 0.00 0.03 0.00 0.00 54.97 56.40 1xd3 s GLU 158 Cb -0.08 -2.97 -0.10 0.00 -0.80 0.00 0.00 34.13 30.19 1xd3 s GLU 158 CO 0.22 0.37 1.26 0.00 -1.33 0.00 0.00 175.26 175.78 1xd3 s ALA 159 N -1.46 3.49 0.96 -0.84 0.00 -1.26 -5.02 121.76 117.63 1xd3 s ALA 159 Ca 0.47 1.13 -0.16 0.00 0.00 0.00 0.00 51.96 53.40 1xd3 s ALA 159 Cb -0.21 -3.45 0.20 0.00 0.00 0.00 0.00 23.12 19.66 1xd3 s ALA 159 CO 0.27 -0.50 1.32 -1.25 0.00 0.00 0.00 175.76 175.59 1xd3 s PRO 160 N -1.07 0.66 0.60 0.00 0.04 -1.26 -5.03 135.00 128.93 1xd3 s PRO 160 Ca 0.51 -0.42 -0.17 0.00 0.04 0.00 0.00 61.00 60.96 1xd3 s PRO 160 Cb -0.37 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1xd3 s PRO 160 CO 0.45 -2.39 1.11 0.45 0.04 0.00 0.00 177.00 176.65 1xd3 s SER 161 N -4.89 5.49 0.57 6.66 0.15 -1.26 -4.92 113.70 115.51 1xd3 s SER 161 Ca 0.74 2.05 0.35 0.00 0.70 0.00 0.00 55.95 59.79 1xd3 s SER 161 Cb -0.04 -2.56 1.58 0.00 -1.71 0.00 0.00 66.02 63.29 1xd3 s SER 161 CO 0.53 -1.37 2.07 -0.29 1.20 0.00 0.00 173.24 175.38 1xd3 h ILE 162 N 0.63 0.09 0.00 6.45 2.10 -1.96 -2.89 117.51 121.94 1xd3 h ILE 162 Ca -0.48 -0.44 0.00 0.00 1.08 0.00 0.00 64.86 65.01 1xd3 h ILE 162 Cb 1.25 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 38.38 1xd3 h ILE 162 CO 0.56 0.03 -0.87 -0.90 -1.08 0.00 0.00 178.15 175.89 1xd3 n ASP 163 N -3.16 0.64 -4.75 2.19 5.75 -1.26 -4.92 116.55 111.05 1xd3 n ASP 163 Ca -0.00 -0.32 -0.38 0.00 -0.01 0.00 0.00 54.79 54.08 1xd3 n ASP 163 Cb 0.26 0.65 0.04 0.00 -1.03 0.00 0.00 41.12 41.04 1xd3 n ASP 163 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1xd3 s GLU 164 N -3.12 3.08 0.25 0.11 2.02 -1.09 -4.93 118.70 115.02 1xd3 s GLU 164 Ca 0.06 2.14 -0.30 0.00 0.02 0.00 0.00 54.97 56.90 1xd3 s GLU 164 Cb 0.15 -2.18 -0.10 0.00 0.10 0.00 0.00 34.13 32.11 1xd3 s GLU 164 CO 0.78 -1.21 1.33 -1.59 0.02 0.00 0.00 175.26 174.59 1xd3 s LYS 165 N -3.00 4.36 -0.15 1.61 0.00 -1.26 -4.98 119.74 116.32 1xd3 s LYS 165 Ca 0.73 2.15 0.02 0.00 0.00 0.00 0.00 55.97 58.87 1xd3 s LYS 165 Cb -0.38 -3.14 0.01 0.00 0.00 0.00 0.00 37.83 34.32 1xd3 s LYS 165 CO 0.44 -0.25 -0.20 0.08 0.00 0.00 0.00 175.35 175.42 1xd3 s VAL 166 N -0.34 1.95 -0.15 1.79 1.01 -1.26 -5.00 120.40 118.39 1xd3 s VAL 166 Ca 0.54 -0.89 0.15 0.00 0.00 0.00 0.00 61.98 61.78 1xd3 s VAL 166 Cb -0.39 -1.74 0.34 0.00 0.00 0.00 0.00 36.38 34.59 1xd3 s VAL 166 CO 0.44 0.53 1.17 -0.90 0.00 0.00 0.00 175.10 176.34 1xd3 n ASP 167 N 4.31 1.93 -4.27 3.32 3.85 -1.26 -4.99 116.55 119.43 1xd3 n ASP 167 Ca -0.20 -3.36 -0.27 0.00 -0.71 0.00 0.00 54.79 50.25 1xd3 n ASP 167 Cb 0.51 -0.46 -0.14 0.00 -1.35 0.00 0.00 41.12 39.68 1xd3 n ASP 167 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1xd3 s LEU 168 N -2.81 2.15 0.05 -2.12 1.43 -1.26 -0.17 118.68 115.95 1xd3 s LEU 168 Ca 0.33 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1xd3 s LEU 168 Cb 0.31 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 1xd3 s LEU 168 CO -0.02 0.20 -0.04 -2.28 0.23 0.00 0.00 176.35 174.44 1xd3 s HIS 169 N -0.76 0.51 -0.07 0.29 2.46 0.03 -4.87 115.29 112.88 1xd3 s HIS 169 Ca 0.09 -0.80 0.01 0.00 0.47 0.00 0.00 55.06 54.82 1xd3 s HIS 169 Cb -0.09 -0.35 -0.03 0.00 -0.13 0.00 0.00 32.58 31.99 1xd3 s HIS 169 CO 0.02 -0.25 -0.08 -0.06 -2.47 0.00 0.00 174.74 171.90 1xd3 s PHE 170 N -2.77 2.91 0.09 3.88 0.08 -1.26 -1.12 117.98 119.80 1xd3 s PHE 170 Ca -0.02 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.02 1xd3 s PHE 170 Cb -0.00 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 1xd3 s PHE 170 CO -0.05 0.28 -0.08 0.96 -0.10 0.00 0.00 175.22 176.23 1xd3 s ILE 171 N -0.70 0.75 -0.04 0.64 -5.25 -0.45 -4.80 121.20 111.35 1xd3 s ILE 171 Ca 0.11 -1.76 0.03 0.00 -0.99 0.00 0.00 60.65 58.04 1xd3 s ILE 171 Cb -0.11 -1.47 -0.03 0.00 2.95 0.00 0.00 42.46 43.80 1xd3 s ILE 171 CO 0.02 -0.73 -0.13 0.00 -1.79 0.00 0.00 174.94 172.31 1xd3 s ALA 172 N -3.03 2.74 -0.17 2.27 0.00 -0.86 -1.13 121.76 121.59 1xd3 s ALA 172 Ca 0.08 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.07 1xd3 s ALA 172 Cb 0.01 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1xd3 s ALA 172 CO -0.03 0.56 -0.20 -0.51 0.00 0.00 0.00 175.76 175.59 1xd3 s LEU 173 N -0.84 2.16 0.14 0.00 1.43 0.26 -0.12 118.68 121.71 1xd3 s LEU 173 Ca 0.12 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1xd3 s LEU 173 Cb -0.11 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1xd3 s LEU 173 CO 0.01 0.03 -0.00 0.68 0.23 0.00 0.00 176.35 177.30 1xd3 s VAL 174 N 1.12 0.51 -0.21 -1.59 -7.23 -0.66 -1.33 120.40 111.01 1xd3 s VAL 174 Ca 0.01 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1xd3 s VAL 174 Cb -0.14 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1xd3 s VAL 174 CO -0.09 -0.59 0.03 -2.28 -0.31 0.00 0.00 175.10 171.87 1xd3 s HIS 175 N -3.76 3.08 -0.05 2.82 2.46 -1.26 -0.87 115.29 117.71 1xd3 s HIS 175 Ca 0.20 -0.39 -0.01 0.00 0.47 0.00 0.00 55.06 55.34 1xd3 s HIS 175 Cb 0.06 -2.14 0.03 0.00 -0.13 0.00 0.00 32.58 30.41 1xd3 s HIS 175 CO 0.01 -0.24 0.02 0.08 -2.47 0.00 0.00 174.74 172.14 1xd3 s VAL 176 N 1.14 0.18 -1.53 0.89 1.01 -0.49 -4.89 120.40 116.70 1xd3 s VAL 176 Ca 0.03 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1xd3 s VAL 176 Cb -0.14 -0.34 0.06 0.00 0.00 0.00 0.00 36.38 35.96 1xd3 s VAL 176 CO 0.02 0.20 0.58 0.47 0.00 0.00 0.00 175.10 176.37 1xd3 n ASP 177 N 4.81 -1.68 0.00 3.32 8.00 -1.26 -2.00 116.55 127.74 1xd3 n ASP 177 Ca -0.13 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1xd3 n ASP 177 Cb 0.50 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 1xd3 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xd3 n GLY 178 N -1.77 0.85 3.29 0.44 0.00 -1.26 -5.04 105.19 101.71 1xd3 n GLY 178 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1xd3 n GLY 178 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xd3 s HIS 179 N -3.39 1.62 -0.24 1.61 3.76 -0.85 -1.80 115.29 116.00 1xd3 s HIS 179 Ca 0.00 -0.52 -0.14 0.00 -0.15 0.00 0.00 55.06 54.24 1xd3 s HIS 179 Cb 0.00 -0.82 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 1xd3 s HIS 179 CO 0.00 0.25 0.34 -1.17 -0.85 0.00 0.00 174.74 173.31 1xd3 s LEU 180 N -2.64 4.10 -0.09 0.89 2.96 0.63 -1.40 118.68 123.14 1xd3 s LEU 180 Ca 0.13 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1xd3 s LEU 180 Cb -0.05 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 1xd3 s LEU 180 CO 0.05 -0.09 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.49 1xd3 s TYR 181 N 1.56 2.63 -0.18 5.38 2.02 -0.05 -0.50 117.35 128.21 1xd3 s TYR 181 Ca 0.15 -0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 1xd3 s TYR 181 Cb -0.15 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1xd3 s TYR 181 CO 0.08 -0.18 0.38 -2.00 -1.57 0.00 0.00 175.55 172.26 1xd3 s GLU 182 N -0.01 4.23 -0.29 -0.62 2.12 -0.06 -1.65 118.70 122.42 1xd3 s GLU 182 Ca -0.06 0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.46 1xd3 s GLU 182 Cb -0.15 -3.49 0.04 0.00 0.26 0.00 0.00 34.13 30.80 1xd3 s GLU 182 CO 0.05 0.07 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.32 1xd3 s LEU 183 N 0.96 3.75 -0.19 2.70 1.43 0.83 -0.97 118.68 127.19 1xd3 s LEU 183 Ca 0.19 -1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.10 1xd3 s LEU 183 Cb -0.14 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.42 1xd3 s LEU 183 CO 0.07 -0.23 -0.01 -0.62 0.23 0.00 0.00 176.35 175.79 1xd3 s ASP 184 N 1.27 3.02 0.19 2.29 -1.08 -1.26 -2.02 116.67 119.08 1xd3 s ASP 184 Ca -0.04 -0.81 0.14 0.00 -0.52 0.00 0.00 52.55 51.32 1xd3 s ASP 184 Cb -0.19 -0.80 0.74 0.00 -1.46 0.00 0.00 42.92 41.21 1xd3 s ASP 184 CO -0.02 -0.25 1.44 0.61 0.52 0.00 0.00 175.17 177.47 1xd3 n GLY 185 N 4.92 -0.79 0.10 2.66 0.00 -1.26 -1.27 105.19 109.56 1xd3 n GLY 185 Ca -0.10 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1xd3 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xd3 n ARG 186 N -1.97 0.28 -3.41 1.61 1.74 -1.26 -0.95 116.66 112.69 1xd3 n ARG 186 Ca -0.00 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 1xd3 n ARG 186 Cb 0.05 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.69 1xd3 n ARG 186 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xd3 s LYS 187 N -3.12 3.48 0.00 5.56 1.02 -0.39 -5.00 119.74 121.29 1xd3 s LYS 187 Ca 0.09 -0.36 0.24 0.00 0.02 0.00 0.00 55.97 55.96 1xd3 s LYS 187 Cb 0.12 -2.68 1.13 0.00 -0.52 0.00 0.00 37.83 35.89 1xd3 s LYS 187 CO 0.63 0.16 1.79 -0.35 -0.92 0.00 0.00 175.35 176.66 1xd3 n PRO 188 N -1.77 0.19 -3.66 -1.68 -0.04 -1.26 -4.91 135.00 121.87 1xd3 n PRO 188 Ca -0.05 0.07 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1xd3 n PRO 188 Cb 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1xd3 n PRO 188 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xd3 s PHE 189 N -2.77 -0.17 0.90 0.54 -0.12 -1.26 -5.12 117.98 109.98 1xd3 s PHE 189 Ca 0.18 -0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 56.90 1xd3 s PHE 189 Cb 0.16 0.59 0.13 0.00 -0.63 0.00 0.00 43.02 43.28 1xd3 s PHE 189 CO 0.40 -0.64 1.11 -2.14 -0.05 0.00 0.00 175.22 173.90 1xd3 s PRO 190 N -3.06 1.18 -0.19 1.99 0.02 -1.26 -4.74 135.00 128.94 1xd3 s PRO 190 Ca 0.11 1.25 -0.01 0.00 0.02 0.00 0.00 61.00 62.36 1xd3 s PRO 190 Cb -0.00 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.75 1xd3 s PRO 190 CO -0.02 -2.42 -0.11 0.42 -0.33 0.00 0.00 177.00 174.53 1xd3 s ILE 191 N -2.74 2.87 -0.27 2.83 -1.09 -0.14 -4.95 121.20 117.70 1xd3 s ILE 191 Ca 0.65 -0.68 -0.25 0.00 -2.23 0.00 0.00 60.65 58.14 1xd3 s ILE 191 Cb -0.21 -2.25 -0.00 0.00 -1.58 0.00 0.00 42.46 38.42 1xd3 s ILE 191 CO 0.58 0.48 0.84 0.21 -1.23 0.00 0.00 174.94 175.82 1xd3 s ASN 192 N 1.17 6.80 -0.09 3.58 3.84 -1.26 -0.88 114.94 128.09 1xd3 s ASN 192 Ca 0.01 0.93 0.17 0.00 0.21 0.00 0.00 52.86 54.19 1xd3 s ASN 192 Cb -0.14 -2.44 0.63 0.00 -0.55 0.00 0.00 41.25 38.75 1xd3 s ASN 192 CO -0.04 -0.58 1.55 1.41 -2.79 0.00 0.00 177.10 176.65 1xd3 n HIS 193 N 6.15 1.23 0.00 0.43 8.25 0.34 -5.01 115.22 126.61 1xd3 n HIS 193 Ca 0.06 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 1xd3 n HIS 193 Cb 0.48 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1xd3 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xd3 n GLY 194 N 0.91 -0.67 3.84 -1.41 0.00 -1.26 -4.85 105.19 101.75 1xd3 n GLY 194 Ca 0.23 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 1xd3 n GLY 194 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xd3 s GLU 195 N -0.07 4.05 0.38 1.61 2.02 -1.26 -0.27 118.70 125.16 1xd3 s GLU 195 Ca 0.00 0.93 -0.16 0.00 0.02 0.00 0.00 54.97 55.77 1xd3 s GLU 195 Cb 0.00 -2.22 0.06 0.00 0.10 0.00 0.00 34.13 32.07 1xd3 s GLU 195 CO 0.00 -0.10 0.80 -0.08 0.02 0.00 0.00 175.26 175.91 1xd3 s THR 196 N -2.34 0.00 0.26 3.63 -1.32 -0.74 -4.63 115.64 110.49 1xd3 s THR 196 Ca 0.59 -0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 60.01 1xd3 s THR 196 Cb -0.10 -2.93 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 1xd3 s THR 196 CO 0.22 0.00 0.38 -0.94 -2.21 0.00 0.00 174.62 172.08 1xd3 s SER 197 N -3.09 0.25 0.26 8.08 1.04 -1.26 -4.30 113.70 114.67 1xd3 s SER 197 Ca 0.16 -1.20 -0.03 0.00 0.48 0.00 0.00 55.95 55.36 1xd3 s SER 197 Cb -0.05 0.55 0.43 0.00 0.10 0.00 0.00 66.02 67.06 1xd3 s SER 197 CO 0.11 -1.10 1.83 0.44 0.98 0.00 0.00 173.24 175.50 1xd3 h ASP 198 N 2.31 0.80 1.96 7.02 3.32 -1.96 -1.96 116.42 127.90 1xd3 h ASP 198 Ca -0.29 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1xd3 h ASP 198 Cb 1.25 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 1xd3 h ASP 198 CO 0.41 0.46 -0.04 -0.33 -1.72 0.00 0.00 179.24 178.01 1xd3 h GLU 199 N 0.90 0.00 -0.13 3.56 3.07 -1.96 -3.34 114.58 116.68 1xd3 h GLU 199 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1xd3 h GLU 199 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1xd3 h GLU 199 CO -0.24 0.03 0.00 0.25 -1.40 0.00 0.00 179.01 177.66 1xd3 n THR 200 N -3.10 1.29 -0.15 1.13 -2.24 -1.03 -4.75 114.28 105.43 1xd3 n THR 200 Ca 0.04 -1.30 -0.03 0.00 -2.27 0.00 0.00 64.05 60.49 1xd3 n THR 200 Cb 0.54 0.30 0.06 0.00 -2.10 0.00 0.00 70.33 69.13 1xd3 n THR 200 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xd3 h LEU 201 N 0.82 -0.01 0.19 3.22 5.85 -1.49 -0.61 115.31 123.28 1xd3 h LEU 201 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xd3 h LEU 201 Cb 0.76 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1xd3 h LEU 201 CO 0.03 0.02 -0.19 0.25 -0.34 0.00 0.00 178.44 178.21 1xd3 h LEU 202 N 0.22 -0.51 -0.54 2.25 5.85 -1.85 0.26 115.31 121.00 1xd3 h LEU 202 Ca 0.24 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.03 1xd3 h LEU 202 Cb 0.32 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1xd3 h LEU 202 CO -0.32 -0.29 0.32 -0.33 -0.34 0.00 0.00 178.44 177.49 1xd3 h GLU 203 N -0.41 0.63 -0.39 1.25 3.07 -1.84 -0.23 114.58 116.65 1xd3 h GLU 203 Ca 0.00 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.70 1xd3 h GLU 203 Cb 0.39 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1xd3 h GLU 203 CO -0.05 0.41 -0.26 -0.44 -1.40 0.00 0.00 179.01 177.27 1xd3 h ASP 204 N 0.64 0.83 -0.50 1.42 3.32 -0.90 -2.01 116.42 119.22 1xd3 h ASP 204 Ca 0.21 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1xd3 h ASP 204 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1xd3 h ASP 204 CO -0.09 1.05 -0.03 0.00 -1.72 0.00 0.00 179.24 178.45 1xd3 h ALA 205 N 1.01 0.92 -0.26 3.45 0.00 -0.14 -2.60 119.26 121.64 1xd3 h ALA 205 Ca 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1xd3 h ALA 205 Cb 0.79 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xd3 h ALA 205 CO 0.07 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.73 1xd3 h ILE 206 N 0.87 1.18 -0.38 0.00 1.08 -0.76 -0.80 117.51 118.69 1xd3 h ILE 206 Ca 0.16 -0.75 -0.05 0.00 -0.39 0.00 0.00 64.86 63.83 1xd3 h ILE 206 Cb 0.55 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1xd3 h ILE 206 CO 0.03 0.25 0.03 -0.33 -0.69 0.00 0.00 178.15 177.44 1xd3 h GLU 207 N 0.39 0.59 -0.30 2.37 4.39 -0.98 0.70 114.58 121.73 1xd3 h GLU 207 Ca 0.08 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1xd3 h GLU 207 Cb 0.33 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1xd3 h GLU 207 CO 0.01 0.59 -0.28 0.28 -1.16 0.00 0.00 179.01 178.45 1xd3 h VAL 208 N 0.57 1.30 -0.99 3.13 2.07 -1.07 -2.72 116.25 118.53 1xd3 h VAL 208 Ca 0.12 -1.45 0.05 0.00 0.82 0.00 0.00 66.70 66.24 1xd3 h VAL 208 Cb 0.31 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1xd3 h VAL 208 CO 0.01 0.47 0.65 0.00 0.02 0.00 0.00 177.57 178.71 1xd3 h LYS 210 N 1.21 1.15 -0.54 0.00 1.57 -0.70 -1.91 116.57 117.35 1xd3 h LYS 210 Ca 0.41 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1xd3 h LYS 210 Cb 0.08 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1xd3 h LYS 210 CO -0.15 0.76 0.35 0.87 -0.57 0.00 0.00 179.45 180.71 1xd3 h LYS 211 N 1.19 0.71 -0.73 3.15 1.57 -0.93 -0.56 116.57 120.97 1xd3 h LYS 211 Ca 0.41 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 1xd3 h LYS 211 Cb 0.10 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1xd3 h LYS 211 CO -0.15 0.48 0.45 0.74 -0.57 0.00 0.00 179.45 180.40 1xd3 h PHE 212 N 0.73 0.85 -0.37 -1.35 -1.00 -0.89 -2.57 116.94 112.34 1xd3 h PHE 212 Ca 0.20 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.92 1xd3 h PHE 212 Cb -0.07 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 1xd3 h PHE 212 CO -0.03 0.47 -0.08 0.52 -1.61 0.00 0.00 178.31 177.58 1xd3 h MET 213 N 0.88 0.70 0.00 1.51 2.86 -0.88 -3.00 114.93 117.01 1xd3 h MET 213 Ca 0.30 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1xd3 h MET 213 Cb 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1xd3 h MET 213 CO -0.12 0.85 -0.07 1.05 1.06 0.00 0.00 176.91 179.68 1xd3 h GLU 214 N 0.50 0.00 0.00 1.72 4.11 -0.97 -2.02 114.58 117.92 1xd3 h GLU 214 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.47 1xd3 h GLU 214 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xd3 h GLU 214 CO 0.03 0.07 -0.28 0.00 0.07 0.00 0.00 179.01 178.90 1xd3 h ARG 215 N 0.00 0.00 -2.11 1.06 3.08 -1.32 -3.34 114.38 111.76 1xd3 h ARG 215 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1xd3 h ARG 215 Cb 0.40 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.04 1xd3 h ARG 215 CO 0.01 0.28 -0.86 -3.47 -1.07 0.00 0.00 179.97 174.86 1xd3 n ASP 216 N -3.23 2.24 0.17 7.04 -0.08 -0.77 -4.90 116.55 117.03 1xd3 n ASP 216 Ca 0.02 -3.17 0.18 0.00 -1.51 0.00 0.00 54.79 50.32 1xd3 n ASP 216 Cb 0.59 -0.64 0.80 0.00 2.34 0.00 0.00 41.12 44.21 1xd3 n ASP 216 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xd3 h PRO 217 N 3.76 0.00 -0.01 -0.67 0.13 -1.67 -1.19 132.00 132.35 1xd3 h PRO 217 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xd3 h PRO 217 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1xd3 h PRO 217 CO 0.66 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.08 1xd3 n ASP 218 N -3.70 0.95 -4.83 1.44 8.00 -1.26 -4.88 116.55 112.27 1xd3 n ASP 218 Ca 0.04 -1.04 -0.35 0.00 0.71 0.00 0.00 54.79 54.14 1xd3 n ASP 218 Cb 0.45 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 1xd3 n ASP 218 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xd3 s GLU 219 N -2.26 3.28 0.00 -1.24 0.41 -0.45 -4.96 118.70 113.48 1xd3 s GLU 219 Ca 0.33 -0.28 0.03 0.00 -0.41 0.00 0.00 54.97 54.63 1xd3 s GLU 219 Cb 0.20 -3.04 -0.01 0.00 -1.78 0.00 0.00 34.13 29.50 1xd3 s GLU 219 CO 0.43 0.72 0.27 1.28 -0.49 0.00 0.00 175.26 177.47 1xd3 n LEU 220 N 1.67 0.49 -3.93 1.80 4.77 -1.26 -4.92 117.00 115.62 1xd3 n LEU 220 Ca -0.17 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.73 1xd3 n LEU 220 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1xd3 n LEU 220 CO 0.34 0.11 2.40 0.54 -1.33 0.00 0.00 177.39 179.45 1xd3 n ARG 221 N -0.67 2.66 -4.20 3.23 1.74 -1.26 -4.87 116.66 113.29 1xd3 n ARG 221 Ca 0.01 -2.62 -0.17 0.00 -0.77 0.00 0.00 57.85 54.29 1xd3 n ARG 221 Cb 0.05 -3.30 -0.12 0.00 -1.02 0.00 0.00 32.46 28.07 1xd3 n ARG 221 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xd3 s PHE 222 N 4.06 1.00 -0.15 -1.55 0.40 -1.26 -3.64 117.98 116.84 1xd3 s PHE 222 Ca 0.51 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 1xd3 s PHE 222 Cb 0.11 -0.58 0.05 0.00 0.51 0.00 0.00 43.02 43.11 1xd3 s PHE 222 CO -0.01 0.00 0.38 1.21 0.70 0.00 0.00 175.22 177.50 1xd3 s ASN 223 N -1.36 -0.45 -0.07 1.36 3.84 -0.48 -4.97 114.94 112.81 1xd3 s ASN 223 Ca -0.03 0.81 0.04 0.00 0.21 0.00 0.00 52.86 53.89 1xd3 s ASN 223 Cb -0.09 0.72 -0.00 0.00 -0.55 0.00 0.00 41.25 41.33 1xd3 s ASN 223 CO 0.01 -0.17 -0.21 0.00 -2.79 0.00 0.00 177.10 173.94 1xd3 s ALA 224 N 1.07 1.90 -0.01 1.71 0.00 -1.26 -0.04 121.76 125.12 1xd3 s ALA 224 Ca -0.07 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1xd3 s ALA 224 Cb -0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1xd3 s ALA 224 CO -0.09 0.30 -0.21 0.96 0.00 0.00 0.00 175.76 176.72 1xd3 s ILE 225 N 0.17 1.67 -0.13 0.00 -4.36 -0.45 -2.43 121.20 115.66 1xd3 s ILE 225 Ca -0.10 -0.93 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1xd3 s ILE 225 Cb -0.15 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 1xd3 s ILE 225 CO 0.05 0.45 -0.03 0.00 0.24 0.00 0.00 174.94 175.65 1xd3 s ALA 226 N -0.52 3.06 -0.56 2.27 0.00 -0.23 -0.75 121.76 125.03 1xd3 s ALA 226 Ca 0.08 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 1xd3 s ALA 226 Cb -0.08 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.58 1xd3 s ALA 226 CO -0.01 0.33 0.87 -1.17 0.00 0.00 0.00 175.76 175.78 1xd3 s LEU 227 N -0.02 4.34 0.27 0.00 2.96 0.25 -0.76 118.68 125.72 1xd3 s LEU 227 Ca 0.01 -0.57 0.11 0.00 -0.22 0.00 0.00 54.13 53.46 1xd3 s LEU 227 Cb -0.13 -2.68 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 1xd3 s LEU 227 CO 0.02 -1.18 -0.10 -0.94 -1.32 0.00 0.00 176.35 172.83 1xd3 s SER 228 N 2.93 4.08 0.41 3.68 1.04 -0.22 -1.15 113.70 124.48 1xd3 s SER 228 Ca 0.26 -0.82 -0.25 0.00 0.48 0.00 0.00 55.95 55.62 1xd3 s SER 228 Cb -0.15 -0.58 -0.08 0.00 0.10 0.00 0.00 66.02 65.31 1xd3 s SER 228 CO 0.16 0.03 1.24 0.00 0.98 0.00 0.00 173.24 175.65 1xd3 s ALA 229 N -2.36 3.18 0.00 5.32 0.00 -0.49 -0.54 121.76 126.87 1xd3 s ALA 229 Ca 0.30 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1xd3 s ALA 229 Cb -0.06 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1xd3 s ALA 229 CO 0.17 -0.72 0.02 0.00 0.00 0.00 0.00 175.76 175.23