#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xd3 s ARG 5 N 0.00 1.06 0.50 2.61 3.52 -1.26 -3.41 118.95 121.97 1xd3 s ARG 5 Ca 0.00 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.28 1xd3 s ARG 5 Cb 0.00 -0.98 0.05 0.00 -1.56 0.00 0.00 34.95 32.45 1xd3 s ARG 5 CO 0.00 0.16 0.40 0.91 -0.81 0.00 0.00 175.30 175.96 1xd3 n TRP 6 N 3.15 -0.78 -3.76 5.12 7.02 -0.57 -5.01 117.44 122.62 1xd3 n TRP 6 Ca -0.17 -2.10 -0.32 0.00 -1.02 0.00 0.00 57.50 53.88 1xd3 n TRP 6 Cb 0.55 -0.41 -0.05 0.00 -2.42 0.00 0.00 31.31 28.97 1xd3 n TRP 6 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1xd3 s LEU 7 N 0.00 4.32 0.18 -0.99 1.43 -1.26 -4.65 118.68 117.71 1xd3 s LEU 7 Ca 0.30 0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1xd3 s LEU 7 Cb -0.02 -3.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.10 1xd3 s LEU 7 CO 0.19 0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.85 1xd3 s PRO 8 N -2.33 4.60 0.28 1.29 0.04 -1.26 -4.81 135.00 132.81 1xd3 s PRO 8 Ca 0.35 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1xd3 s PRO 8 Cb -0.13 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 1xd3 s PRO 8 CO 0.23 0.09 0.75 -0.51 0.04 0.00 0.00 177.00 177.60 1xd3 s LEU 9 N -0.40 4.22 0.06 -3.56 1.43 -1.26 -4.88 118.68 114.28 1xd3 s LEU 9 Ca 0.49 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 1xd3 s LEU 9 Cb -0.29 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 1xd3 s LEU 9 CO 0.35 -0.08 0.92 -0.70 0.23 0.00 0.00 176.35 177.06 1xd3 s GLU 10 N -2.42 4.61 -0.89 1.70 2.12 -1.26 -4.96 118.70 117.60 1xd3 s GLU 10 Ca 0.49 1.34 -0.25 0.00 0.36 0.00 0.00 54.97 56.91 1xd3 s GLU 10 Cb -0.14 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1xd3 s GLU 10 CO 0.19 0.15 1.63 0.00 -0.54 0.00 0.00 175.26 176.69 1xd3 s ALA 11 N 0.28 2.33 -0.23 6.30 0.00 -1.26 -4.71 121.76 124.46 1xd3 s ALA 11 Ca 0.46 -1.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.63 1xd3 s ALA 11 Cb -0.22 -4.47 0.10 0.00 0.00 0.00 0.00 23.12 18.53 1xd3 s ALA 11 CO 0.27 -3.97 0.51 1.21 0.00 0.00 0.00 175.76 173.78 1xd3 s ASN 12 N 6.10 -0.62 0.35 0.00 3.84 -1.26 -5.05 114.94 118.29 1xd3 s ASN 12 Ca 0.54 1.21 0.06 0.00 0.21 0.00 0.00 52.86 54.89 1xd3 s ASN 12 Cb -0.05 1.61 0.72 0.00 -0.55 0.00 0.00 41.25 42.98 1xd3 s ASN 12 CO 0.00 -0.22 1.91 -0.65 -2.79 0.00 0.00 177.10 175.35 1xd3 h PRO 13 N 7.92 0.77 -0.52 0.43 0.11 -1.89 0.08 132.00 138.90 1xd3 h PRO 13 Ca -0.20 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.88 1xd3 h PRO 13 Cb 1.12 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1xd3 h PRO 13 CO 0.13 0.51 0.33 0.93 -0.21 0.00 0.00 178.00 179.69 1xd3 h GLU 14 N 0.79 0.65 0.21 1.05 5.08 -1.97 0.30 114.58 120.69 1xd3 h GLU 14 Ca 0.38 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1xd3 h GLU 14 Cb 0.43 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xd3 h GLU 14 CO -0.15 0.43 -0.10 0.28 -1.00 0.00 0.00 179.01 178.47 1xd3 h VAL 15 N 0.67 0.87 -0.31 3.13 2.07 -1.54 -2.17 116.25 118.97 1xd3 h VAL 15 Ca 0.20 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1xd3 h VAL 15 Cb -0.03 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1xd3 h VAL 15 CO -0.07 0.11 -0.13 0.71 0.02 0.00 0.00 177.57 178.21 1xd3 h THR 16 N -0.53 1.24 -0.26 2.57 1.35 -0.90 -0.78 112.91 115.60 1xd3 h THR 16 Ca -0.03 -1.05 -0.15 0.00 -0.55 0.00 0.00 66.41 64.63 1xd3 h THR 16 Cb 0.39 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1xd3 h THR 16 CO 0.05 0.35 -0.45 0.78 -0.25 0.00 0.00 175.52 175.99 1xd3 h ASN 17 N 0.49 0.71 -0.22 5.36 2.35 -0.42 -0.10 115.58 123.74 1xd3 h ASN 17 Ca 0.09 -0.34 -0.11 0.00 -0.55 0.00 0.00 56.30 55.39 1xd3 h ASN 17 Cb 0.51 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1xd3 h ASN 17 CO 0.03 1.06 -0.22 -0.61 -1.65 0.00 0.00 177.43 176.04 1xd3 h GLN 18 N 0.53 0.68 -0.36 0.81 5.75 -1.07 -1.57 115.11 119.87 1xd3 h GLN 18 Ca 0.03 -0.26 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1xd3 h GLN 18 Cb 0.99 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.49 1xd3 h GLN 18 CO 0.09 0.84 0.05 0.35 -2.65 0.00 0.00 178.83 177.52 1xd3 h PHE 19 N 0.60 0.63 -0.93 3.99 -0.00 -0.85 -0.54 116.94 119.85 1xd3 h PHE 19 Ca 0.09 -0.09 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1xd3 h PHE 19 Cb 0.69 -0.17 -0.05 0.00 -0.00 0.00 0.00 35.95 36.43 1xd3 h PHE 19 CO 0.03 0.66 0.59 -0.07 -0.00 0.00 0.00 178.31 179.52 1xd3 h LEU 20 N 0.43 1.08 -0.34 0.59 3.38 -0.75 0.23 115.31 119.93 1xd3 h LEU 20 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1xd3 h LEU 20 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xd3 h LEU 20 CO 0.01 0.80 0.11 0.50 0.09 0.00 0.00 178.44 179.95 1xd3 h LYS 21 N 1.27 0.52 0.00 1.13 1.63 -1.01 -1.47 116.57 118.64 1xd3 h LYS 21 Ca 0.34 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 1xd3 h LYS 21 Cb -0.11 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 1xd3 h LYS 21 CO -0.07 0.55 -0.17 1.96 -3.45 0.00 0.00 179.45 178.26 1xd3 h GLN 22 N 0.40 0.00 0.00 1.90 1.08 -0.45 -0.28 115.11 117.76 1xd3 h GLN 22 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1xd3 h GLN 22 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1xd3 h GLN 22 CO -0.00 0.17 0.00 1.28 -0.95 0.00 0.00 178.83 179.33 1xd3 n LEU 23 N -3.68 0.00 0.00 1.46 4.77 0.01 -4.75 117.00 114.81 1xd3 n LEU 23 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1xd3 n LEU 23 Cb 0.29 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xd3 n LEU 23 CO 0.32 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xd3 n GLY 24 N 1.11 0.92 3.74 -0.72 0.00 -0.11 -2.05 105.19 108.08 1xd3 n GLY 24 Ca 0.16 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1xd3 n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xd3 s LEU 25 N 0.00 4.31 0.28 0.99 2.01 -0.59 -0.13 118.68 125.55 1xd3 s LEU 25 Ca 0.00 0.85 -0.29 0.00 0.01 0.00 0.00 54.13 54.69 1xd3 s LEU 25 Cb 0.00 -2.69 -0.10 0.00 0.01 0.00 0.00 46.19 43.41 1xd3 s LEU 25 CO 0.00 0.05 1.27 -2.28 1.01 0.00 0.00 176.35 176.40 1xd3 s HIS 26 N 0.38 3.21 -0.08 0.29 5.65 -0.46 -4.37 115.29 119.90 1xd3 s HIS 26 Ca 0.26 1.39 -0.03 0.00 0.25 0.00 0.00 55.06 56.93 1xd3 s HIS 26 Cb -0.15 -3.59 -0.13 0.00 -1.18 0.00 0.00 32.58 27.53 1xd3 s HIS 26 CO 0.11 -1.66 2.05 -0.35 -0.65 0.00 0.00 174.74 174.24 1xd3 n PRO 27 N 1.47 1.08 0.10 2.88 -0.04 -1.26 -4.30 135.00 134.94 1xd3 n PRO 27 Ca 0.02 -0.59 0.13 0.00 -0.04 0.00 0.00 63.50 63.02 1xd3 n PRO 27 Cb 0.43 -1.82 0.41 0.00 -0.04 0.00 0.00 33.50 32.48 1xd3 n PRO 27 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xd3 n ASN 28 N 2.91 0.78 -3.99 3.54 5.03 -1.26 -4.70 115.26 117.57 1xd3 n ASN 28 Ca 0.23 0.58 -0.17 0.00 0.87 0.00 0.00 54.58 56.09 1xd3 n ASN 28 Cb 0.42 -0.79 -0.14 0.00 -1.02 0.00 0.00 39.78 38.25 1xd3 n ASN 28 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1xd3 s TRP 29 N -3.10 0.64 -0.01 3.10 0.52 -1.26 -0.75 118.94 118.07 1xd3 s TRP 29 Ca 0.11 -0.14 -0.02 0.00 0.02 0.00 0.00 56.10 56.06 1xd3 s TRP 29 Cb 0.12 -0.41 0.00 0.00 -1.15 0.00 0.00 33.47 32.04 1xd3 s TRP 29 CO 0.59 -0.01 0.05 -0.65 0.02 0.00 0.00 176.95 176.95 1xd3 s GLN 30 N -0.25 0.16 0.36 4.98 -1.52 0.49 -4.86 119.66 119.01 1xd3 s GLN 30 Ca 0.02 -0.09 -0.25 0.00 -1.95 0.00 0.00 55.36 53.09 1xd3 s GLN 30 Cb -0.03 0.07 -0.09 0.00 -0.22 0.00 0.00 33.01 32.73 1xd3 s GLN 30 CO -0.00 -0.03 1.02 -0.06 -0.25 0.00 0.00 175.29 175.97 1xd3 s PHE 31 N -0.39 3.42 0.07 0.91 0.08 -1.26 -1.14 117.98 119.68 1xd3 s PHE 31 Ca -0.04 1.69 0.03 0.00 0.12 0.00 0.00 56.93 58.73 1xd3 s PHE 31 Cb -0.03 -3.08 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 1xd3 s PHE 31 CO 0.00 -0.37 -0.09 0.14 -0.10 0.00 0.00 175.22 174.80 1xd3 s VAL 32 N -1.60 0.77 0.66 -0.44 -7.23 -0.42 -4.80 120.40 107.34 1xd3 s VAL 32 Ca 0.54 -1.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.19 1xd3 s VAL 32 Cb -0.22 -1.03 -0.00 0.00 0.56 0.00 0.00 36.38 35.69 1xd3 s VAL 32 CO 0.28 -0.47 1.10 -1.81 -0.31 0.00 0.00 175.10 173.89 1xd3 s ASP 33 N -2.03 5.15 -0.22 4.85 1.01 -1.26 -1.26 116.67 122.90 1xd3 s ASP 33 Ca -0.02 1.95 0.01 0.00 0.71 0.00 0.00 52.55 55.20 1xd3 s ASP 33 Cb -0.06 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1xd3 s ASP 33 CO -0.00 -1.60 -0.13 -0.69 0.21 0.00 0.00 175.17 172.96 1xd3 s VAL 34 N -2.42 2.36 -0.23 -1.27 1.01 -1.01 -4.79 120.40 114.05 1xd3 s VAL 34 Ca 0.66 -1.15 0.19 0.00 0.00 0.00 0.00 61.98 61.67 1xd3 s VAL 34 Cb -0.19 -2.17 0.07 0.00 0.00 0.00 0.00 36.38 34.08 1xd3 s VAL 34 CO 0.42 0.28 1.24 1.88 0.00 0.00 0.00 175.10 178.92 1xd3 h TYR 35 N 7.92 0.00 -2.33 5.22 0.05 -1.89 -3.43 116.97 122.51 1xd3 h TYR 35 Ca -0.34 0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.62 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 0.55 0.28 0.52 0.20 -1.05 0.00 0.00 178.16 178.67 1xd3 s GLY 36 N -4.46 -0.17 0.00 3.88 0.00 -1.26 -5.06 107.32 100.26 1xd3 s GLY 36 Ca 0.02 0.05 0.19 0.00 0.00 0.00 0.00 44.72 44.99 1xd3 s GLY 36 CO 0.75 0.43 1.10 1.03 0.00 0.00 0.00 173.10 176.42 1xd3 n MET 37 N -0.52 1.70 -2.08 2.90 2.81 -1.26 -4.18 117.12 116.49 1xd3 n MET 37 Ca -0.06 -1.60 -0.30 0.00 -1.81 0.00 0.00 57.70 53.94 1xd3 n MET 37 Cb 0.61 -1.37 0.02 0.00 -0.71 0.00 0.00 33.22 31.76 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 -1.67 6.04 0.24 7.83 1.47 -1.26 -4.84 116.67 124.47 1xd3 s ASP 38 Ca 0.22 1.20 -0.06 0.00 1.18 0.00 0.00 52.55 55.10 1xd3 s ASP 38 Cb 0.16 -2.26 0.42 0.00 -0.34 0.00 0.00 42.92 40.90 1xd3 s ASP 38 CO 0.26 -0.91 1.71 -0.65 0.68 0.00 0.00 175.17 176.27 1xd3 h PRO 39 N -0.25 0.35 -0.19 2.11 0.11 -1.98 -1.02 132.00 131.13 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 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1xd3 h PRO 39 CO 0.62 0.23 0.09 1.49 -0.21 0.00 0.00 178.00 180.22 1xd3 h GLU 40 N 0.36 0.18 -0.16 1.05 4.81 -1.98 0.86 114.58 119.71 1xd3 h GLU 40 Ca 0.39 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.46 1xd3 h GLU 40 Cb 0.61 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1xd3 h GLU 40 CO -0.43 0.12 -0.55 -0.07 -0.73 0.00 0.00 179.01 177.36 1xd3 h LEU 41 N 0.19 0.53 -1.25 1.64 3.38 -1.79 -2.80 115.31 115.21 1xd3 h LEU 41 Ca 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1xd3 h LEU 41 Cb 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1xd3 h LEU 41 CO -0.06 0.97 -0.16 -0.07 0.09 0.00 0.00 178.44 179.21 1xd3 h LEU 42 N 0.37 0.00 -0.91 1.67 3.38 -0.94 -2.42 115.31 116.46 1xd3 h LEU 42 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xd3 h LEU 42 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xd3 h LEU 42 CO 0.10 0.16 0.00 0.77 0.09 0.00 0.00 178.44 179.56 1xd3 h SER 43 N 0.00 0.00 1.60 -0.43 4.64 -0.55 -2.10 113.55 116.71 1xd3 h SER 43 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xd3 h SER 43 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1xd3 h SER 43 CO 0.02 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.22 1xd3 h MET 44 N 0.00 0.00 -6.27 4.77 2.86 -1.50 -3.44 114.93 111.35 1xd3 h MET 44 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 1xd3 h MET 44 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1xd3 h MET 44 CO 0.00 0.00 0.59 0.08 1.06 0.00 0.00 176.91 178.64 1xd3 s VAL 45 N -3.23 4.69 0.56 -2.22 1.01 -0.79 -5.00 120.40 115.41 1xd3 s VAL 45 Ca 0.07 1.96 -0.21 0.00 0.00 0.00 0.00 61.98 63.81 1xd3 s VAL 45 Cb 0.08 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1xd3 s VAL 45 CO 0.61 0.01 1.33 -2.84 0.00 0.00 0.00 175.10 174.21 1xd3 s PRO 46 N 2.02 3.04 0.15 2.72 0.02 -1.26 -5.03 135.00 136.66 1xd3 s PRO 46 Ca 0.50 2.17 0.10 0.00 0.02 0.00 0.00 61.00 63.78 1xd3 s PRO 46 Cb -0.19 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 1xd3 s PRO 46 CO 0.19 -1.25 -0.19 1.03 -0.33 0.00 0.00 177.00 176.46 1xd3 s ARG 47 N -3.01 1.74 0.82 5.54 1.81 -1.26 -4.39 118.95 120.20 1xd3 s ARG 47 Ca 0.74 -1.29 -0.12 0.00 -1.72 0.00 0.00 55.73 53.34 1xd3 s ARG 47 Cb -0.39 -2.04 0.08 0.00 -0.45 0.00 0.00 34.95 32.15 1xd3 s ARG 47 CO 0.45 0.45 1.14 -1.25 -0.68 0.00 0.00 175.30 175.41 1xd3 s PRO 48 N -2.39 1.92 -0.08 3.54 0.04 -1.26 -4.59 135.00 132.18 1xd3 s PRO 48 Ca 0.19 0.31 0.05 0.00 0.04 0.00 0.00 61.00 61.59 1xd3 s PRO 48 Cb -0.10 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1xd3 s PRO 48 CO 0.11 -1.66 -0.24 0.08 0.04 0.00 0.00 177.00 175.32 1xd3 s VAL 49 N -3.39 2.02 -0.63 -0.36 1.01 -1.26 -1.31 120.40 116.48 1xd3 s VAL 49 Ca 0.62 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1xd3 s VAL 49 Cb -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1xd3 s VAL 49 CO 0.52 0.55 0.53 0.00 0.00 0.00 0.00 175.10 176.70 1xd3 s ALA 51 N -0.98 -1.82 -0.05 0.00 0.00 -1.25 -4.47 121.76 113.20 1xd3 s ALA 51 Ca 0.06 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1xd3 s ALA 51 Cb 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1xd3 s ALA 51 CO 0.15 -0.44 -0.11 0.08 0.00 0.00 0.00 175.76 175.44 1xd3 s VAL 52 N -1.74 1.02 -0.20 0.00 1.01 -0.76 -0.72 120.40 119.00 1xd3 s VAL 52 Ca -0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1xd3 s VAL 52 Cb -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1xd3 s VAL 52 CO 0.02 0.32 0.01 -0.76 0.00 0.00 0.00 175.10 174.69 1xd3 s LEU 53 N 0.49 3.32 -0.14 3.92 1.02 -0.13 -0.61 118.68 126.55 1xd3 s LEU 53 Ca -0.10 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 53.87 1xd3 s LEU 53 Cb -0.13 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 1xd3 s LEU 53 CO 0.02 0.07 -0.10 -0.22 0.02 0.00 0.00 176.35 176.14 1xd3 s LEU 54 N 0.95 2.85 -0.18 1.79 2.96 -0.02 -1.50 118.68 125.53 1xd3 s LEU 54 Ca 0.02 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1xd3 s LEU 54 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1xd3 s LEU 54 CO 0.02 0.16 0.09 -0.22 -1.32 0.00 0.00 176.35 175.07 1xd3 s LEU 55 N 0.42 3.98 0.20 -0.68 0.20 0.12 -1.21 118.68 121.70 1xd3 s LEU 55 Ca -0.08 0.16 -0.09 0.00 0.69 0.00 0.00 54.13 54.80 1xd3 s LEU 55 Cb -0.15 -2.01 -0.01 0.00 -0.43 0.00 0.00 46.19 43.59 1xd3 s LEU 55 CO 0.04 0.20 0.33 0.72 -0.29 0.00 0.00 176.35 177.35 1xd3 s PHE 56 N 0.24 0.48 -0.05 5.38 -0.12 -0.23 -1.71 117.98 121.97 1xd3 s PHE 56 Ca 0.06 -0.82 -0.21 0.00 -0.05 0.00 0.00 56.93 55.91 1xd3 s PHE 56 Cb -0.12 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 1xd3 s PHE 56 CO -0.00 -0.80 0.59 -1.25 -0.05 0.00 0.00 175.22 173.71 1xd3 s PRO 57 N -4.01 4.35 -1.24 1.99 0.04 -1.24 -0.73 135.00 134.15 1xd3 s PRO 57 Ca 0.22 0.70 -0.10 0.00 0.04 0.00 0.00 61.00 61.85 1xd3 s PRO 57 Cb 0.02 -3.40 0.18 0.00 0.04 0.00 0.00 34.50 31.35 1xd3 s PRO 57 CO 0.04 0.23 1.70 -0.89 0.04 0.00 0.00 177.00 178.13 1xd3 n ILE 58 N 3.26 4.39 -2.08 0.56 2.08 0.30 -4.83 119.36 123.03 1xd3 n ILE 58 Ca -0.05 -4.62 -0.27 0.00 0.56 0.00 0.00 62.75 58.36 1xd3 n ILE 58 Cb 0.51 -2.38 0.09 0.00 -0.75 0.00 0.00 39.64 37.12 1xd3 n ILE 58 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1xd3 s THR 59 N 0.49 2.13 0.29 1.39 -4.23 -1.26 -4.88 115.64 109.57 1xd3 s THR 59 Ca 0.40 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1xd3 s THR 59 Cb 0.05 -2.97 0.11 0.00 1.34 0.00 0.00 72.50 71.02 1xd3 s THR 59 CO 0.01 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 175.54 1xd3 h GLU 60 N -0.90 0.57 -0.75 3.99 4.39 -1.99 -0.95 114.58 118.95 1xd3 h GLU 60 Ca -0.44 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.06 1xd3 h GLU 60 Cb 1.31 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1xd3 h GLU 60 CO 0.58 0.68 0.34 -0.22 -1.16 0.00 0.00 179.01 179.23 1xd3 h LYS 61 N 0.53 1.09 -0.45 2.33 3.64 -1.97 -1.92 116.57 119.81 1xd3 h LYS 61 Ca 0.10 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1xd3 h LYS 61 Cb 0.50 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1xd3 h LYS 61 CO 0.03 0.86 0.08 -0.92 -2.27 0.00 0.00 179.45 177.23 1xd3 h TYR 62 N 1.06 0.79 -0.68 1.91 3.20 -1.73 -2.86 116.97 118.67 1xd3 h TYR 62 Ca 0.25 -0.11 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1xd3 h TYR 62 Cb 0.14 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1xd3 h TYR 62 CO 0.01 0.74 0.45 0.93 -1.64 0.00 0.00 178.16 178.65 1xd3 h GLU 63 N 0.61 0.87 -0.33 1.82 4.39 -0.73 0.56 114.58 121.78 1xd3 h GLU 63 Ca 0.14 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1xd3 h GLU 63 Cb 0.37 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1xd3 h GLU 63 CO 0.01 0.58 0.16 0.28 -1.16 0.00 0.00 179.01 178.88 1xd3 h VAL 64 N 0.90 1.16 -0.67 3.13 2.07 -1.21 -0.88 116.25 120.75 1xd3 h VAL 64 Ca 0.25 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1xd3 h VAL 64 Cb -0.07 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1xd3 h VAL 64 CO -0.06 0.16 0.39 0.15 0.02 0.00 0.00 177.57 178.24 1xd3 h PHE 65 N 0.40 0.89 -0.56 1.57 3.04 -1.10 -1.95 116.94 119.24 1xd3 h PHE 65 Ca 0.11 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1xd3 h PHE 65 Cb 0.11 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.30 1xd3 h PHE 65 CO -0.02 0.61 0.35 -0.09 -2.02 0.00 0.00 178.31 177.15 1xd3 h ARG 66 N 0.91 0.69 -0.84 1.11 2.43 -0.60 0.39 114.38 118.47 1xd3 h ARG 66 Ca 0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1xd3 h ARG 66 Cb -0.01 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1xd3 h ARG 66 CO -0.04 0.46 0.54 1.15 -1.51 0.00 0.00 179.97 180.56 1xd3 h THR 67 N 0.72 1.22 -0.31 0.20 2.02 -0.86 -1.32 112.91 114.57 1xd3 h THR 67 Ca 0.21 -0.44 -0.17 0.00 0.77 0.00 0.00 66.41 66.78 1xd3 h THR 67 Cb -0.04 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 1xd3 h THR 67 CO -0.07 0.22 -0.49 -0.33 0.37 0.00 0.00 175.52 175.23 1xd3 h GLU 68 N 1.14 0.87 -0.61 6.66 5.08 -0.89 -2.58 114.58 124.25 1xd3 h GLU 68 Ca 0.30 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1xd3 h GLU 68 Cb -0.10 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1xd3 h GLU 68 CO -0.06 1.15 0.26 1.49 -1.00 0.00 0.00 179.01 180.86 1xd3 h GLU 69 N 0.68 0.90 -0.29 2.33 4.81 -0.69 -0.49 114.58 121.84 1xd3 h GLU 69 Ca 0.03 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1xd3 h GLU 69 Cb 1.09 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1xd3 h GLU 69 CO 0.11 0.75 0.19 1.49 -0.73 0.00 0.00 179.01 180.82 1xd3 h GLU 70 N 0.84 0.37 -0.14 1.92 4.81 -1.16 -1.06 114.58 120.16 1xd3 h GLU 70 Ca 0.21 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1xd3 h GLU 70 Cb 0.17 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xd3 h GLU 70 CO -0.02 0.25 -0.40 1.49 -0.73 0.00 0.00 179.01 179.59 1xd3 h GLU 71 N 0.38 0.32 -0.21 1.92 4.57 -1.27 -1.19 114.58 119.10 1xd3 h GLU 71 Ca 0.11 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1xd3 h GLU 71 Cb -0.04 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1xd3 h GLU 71 CO -0.03 0.67 0.06 -0.22 -1.18 0.00 0.00 179.01 178.32 1xd3 h LYS 72 N 0.27 0.32 -0.45 1.92 3.64 -0.68 -0.47 116.57 121.12 1xd3 h LYS 72 Ca 0.03 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1xd3 h LYS 72 Cb 0.83 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1xd3 h LYS 72 CO 0.07 0.42 -0.19 0.82 -2.27 0.00 0.00 179.45 178.30 1xd3 h ILE 73 N 0.16 1.27 -0.59 2.00 2.04 -1.10 0.25 117.51 121.55 1xd3 h ILE 73 Ca 0.07 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.51 1xd3 h ILE 73 Cb 0.23 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1xd3 h ILE 73 CO -0.00 0.45 -0.02 0.11 0.00 0.00 0.00 178.15 178.69 1xd3 h LYS 74 N 0.78 1.04 0.00 2.37 1.57 -1.11 0.11 116.57 121.32 1xd3 h LYS 74 Ca 0.11 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 1xd3 h LYS 74 Cb 0.73 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1xd3 h LYS 74 CO 0.06 1.03 -1.04 0.66 -0.57 0.00 0.00 179.45 179.58 1xd3 h SER 75 N 0.95 0.00 0.00 0.86 4.64 -0.88 -3.38 113.55 115.74 1xd3 h SER 75 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xd3 h SER 75 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1xd3 h SER 75 CO 0.03 0.61 -0.59 0.00 -0.87 0.00 0.00 176.83 176.01 1xd3 n GLN 76 N -3.07 3.49 0.00 4.77 6.02 0.87 -5.08 117.38 124.37 1xd3 n GLN 76 Ca -0.05 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1xd3 n GLN 76 Cb 0.82 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 31.14 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 1.38 -2.08 3.59 1.08 0.00 0.37 -5.02 105.19 104.51 1xd3 n GLY 77 Ca 0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.52 1.41 -0.18 1.61 -2.07 -1.26 -4.79 119.66 111.86 1xd3 s GLN 78 Ca 0.00 -0.64 -0.07 0.00 -1.82 0.00 0.00 55.36 52.83 1xd3 s GLN 78 Cb 0.00 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1xd3 s GLN 78 CO 0.00 -0.63 0.06 0.16 -1.32 0.00 0.00 175.29 173.56 1xd3 s ASP 79 N -2.79 5.61 -0.13 12.60 -4.77 -1.26 -5.07 116.67 120.86 1xd3 s ASP 79 Ca 0.05 0.08 -0.02 0.00 -3.30 0.00 0.00 52.55 49.36 1xd3 s ASP 79 Cb -0.03 -1.96 0.04 0.00 -1.09 0.00 0.00 42.92 39.89 1xd3 s ASP 79 CO -0.05 0.18 0.01 -0.69 0.70 0.00 0.00 175.17 175.32 1xd3 s VAL 80 N 0.36 0.46 0.49 2.11 1.01 -1.26 -4.71 120.40 118.86 1xd3 s VAL 80 Ca 0.03 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 1xd3 s VAL 80 Cb -0.12 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 1xd3 s VAL 80 CO 0.00 0.05 1.32 0.28 0.00 0.00 0.00 175.10 176.75 1xd3 s THR 81 N 1.92 2.37 0.50 3.92 -1.32 -1.26 -4.89 115.64 116.88 1xd3 s THR 81 Ca 0.02 0.30 0.41 0.00 -1.21 0.00 0.00 61.69 61.21 1xd3 s THR 81 Cb -0.14 -3.16 0.42 0.00 -1.51 0.00 0.00 72.50 68.11 1xd3 s THR 81 CO -0.07 0.01 2.26 0.77 -2.21 0.00 0.00 174.62 175.38 1xd3 h SER 82 N 1.90 0.00 0.96 8.08 4.64 -2.01 -2.67 113.55 124.45 1xd3 h SER 82 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xd3 h SER 82 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1xd3 h SER 82 CO 0.59 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 1xd3 n SER 83 N -3.13 0.24 -4.74 4.97 3.41 -1.26 -4.81 113.62 108.29 1xd3 n SER 83 Ca -0.02 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 1xd3 n SER 83 Cb 0.14 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 1xd3 n SER 83 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xd3 s VAL 84 N -3.05 2.84 -0.28 -3.33 1.01 -1.01 -4.99 120.40 111.58 1xd3 s VAL 84 Ca 0.11 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 1xd3 s VAL 84 Cb 0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1xd3 s VAL 84 CO 0.47 0.09 0.26 -0.47 0.00 0.00 0.00 175.10 175.46 1xd3 s TYR 85 N 0.33 3.23 -0.01 5.22 6.14 -1.26 -5.06 117.35 125.93 1xd3 s TYR 85 Ca 0.61 0.20 0.04 0.00 0.64 0.00 0.00 57.07 58.55 1xd3 s TYR 85 Cb -0.40 -2.47 -0.01 0.00 0.42 0.00 0.00 41.96 39.50 1xd3 s TYR 85 CO 0.39 -0.21 -0.12 0.12 0.64 0.00 0.00 175.55 176.37 1xd3 s PHE 86 N 1.88 1.13 0.02 4.97 5.36 -1.26 -4.84 117.98 125.24 1xd3 s PHE 86 Ca 0.10 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 1xd3 s PHE 86 Cb -0.16 -0.74 -0.01 0.00 -0.34 0.00 0.00 43.02 41.76 1xd3 s PHE 86 CO 0.11 -0.04 -0.07 0.00 -1.46 0.00 0.00 175.22 173.76 1xd3 s MET 87 N -0.19 0.48 0.53 10.12 0.23 -1.26 -4.01 119.30 125.21 1xd3 s MET 87 Ca 0.03 -0.46 -0.05 0.00 -1.03 0.00 0.00 55.69 54.17 1xd3 s MET 87 Cb -0.06 -0.37 -0.02 0.00 -1.53 0.00 0.00 34.83 32.85 1xd3 s MET 87 CO -0.00 0.09 0.84 0.15 -2.03 0.00 0.00 175.02 174.06 1xd3 s LYS 88 N -0.82 3.29 -0.26 3.16 1.02 -0.95 -4.16 119.74 121.01 1xd3 s LYS 88 Ca -0.04 0.12 -0.08 0.00 0.02 0.00 0.00 55.97 55.99 1xd3 s LYS 88 Cb -0.06 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1xd3 s LYS 88 CO 0.00 -0.41 0.11 -1.14 -0.92 0.00 0.00 175.35 172.99 1xd3 s GLN 89 N -4.85 3.66 0.00 1.68 0.74 0.39 -4.31 119.66 116.98 1xd3 s GLN 89 Ca 0.50 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.43 1xd3 s GLN 89 Cb -0.10 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.58 1xd3 s GLN 89 CO 0.45 -0.22 0.53 0.25 -0.55 0.00 0.00 175.29 175.75 1xd3 n THR 90 N 4.96 0.23 -4.24 -0.34 -2.24 -1.26 -4.78 114.28 106.61 1xd3 n THR 90 Ca -0.15 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.79 1xd3 n THR 90 Cb 0.51 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.23 2.80 0.22 2.28 1.01 -1.26 -4.79 121.20 121.22 1xd3 s ILE 91 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 1xd3 s ILE 91 Cb 0.00 -2.22 -0.12 0.00 0.01 0.00 0.00 42.46 40.13 1xd3 s ILE 91 CO 0.00 0.49 1.67 -0.24 0.00 0.00 0.00 174.94 176.87 1xd3 n SER 92 N 4.39 3.83 -0.19 3.58 2.88 -1.22 -2.14 113.62 124.75 1xd3 n SER 92 Ca -0.19 1.08 -0.03 0.00 -1.33 0.00 0.00 58.87 58.41 1xd3 n SER 92 Cb 0.51 -1.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.40 1xd3 n SER 92 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xd3 n ASN 93 N 3.50 -4.50 -0.44 -3.46 3.02 -1.26 -1.51 115.26 110.61 1xd3 n ASN 93 Ca 0.15 0.06 0.10 0.00 -0.03 0.00 0.00 54.58 54.86 1xd3 n ASN 93 Cb 0.34 -2.22 0.41 0.00 -0.61 0.00 0.00 39.78 37.70 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 2.54 -0.16 5.41 0.00 -0.91 -4.38 120.51 124.05 1xd3 n ALA 94 Ca -0.03 -0.44 0.20 0.00 0.00 0.00 0.00 53.44 53.18 1xd3 n ALA 94 Cb 0.28 -1.13 0.59 0.00 0.00 0.00 0.00 19.45 19.19 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 0.25 0.75 0.92 0.00 0.00 -1.89 0.09 103.07 103.20 1xd3 h GLY 96 Ca 0.39 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1xd3 h GLY 96 CO -0.09 0.54 0.07 -0.84 0.00 0.00 0.00 176.54 176.22 1xd3 h THR 97 N 0.51 1.23 -0.38 4.70 2.02 -1.58 -2.25 112.91 117.17 1xd3 h THR 97 Ca 0.10 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1xd3 h THR 97 Cb 0.53 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1xd3 h THR 97 CO 0.03 0.28 0.04 0.40 0.37 0.00 0.00 175.52 176.64 1xd3 h ILE 98 N 0.45 1.19 -0.57 3.11 2.04 -1.16 0.31 117.51 122.89 1xd3 h ILE 98 Ca 0.11 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1xd3 h ILE 98 Cb 0.34 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1xd3 h ILE 98 CO 0.00 0.26 0.19 1.23 0.00 0.00 0.00 178.15 179.83 1xd3 h GLY 99 N 0.83 0.95 0.98 5.37 0.00 -0.78 -0.22 103.07 110.20 1xd3 h GLY 99 Ca 0.12 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1xd3 h GLY 99 CO 0.00 0.52 -0.06 1.41 0.00 0.00 0.00 176.54 178.42 1xd3 h LEU 100 N 0.80 0.77 -0.61 3.11 3.38 -0.76 -1.24 115.31 120.76 1xd3 h LEU 100 Ca 0.18 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xd3 h LEU 100 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1xd3 h LEU 100 CO -0.01 0.93 0.36 0.40 0.09 0.00 0.00 178.44 180.22 1xd3 h ILE 101 N 0.60 1.18 -0.77 1.22 2.04 -0.74 -1.11 117.51 119.93 1xd3 h ILE 101 Ca 0.11 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1xd3 h ILE 101 Cb 0.57 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1xd3 h ILE 101 CO 0.03 0.19 0.39 0.45 0.00 0.00 0.00 178.15 179.21 1xd3 h HIS 102 N 0.82 1.09 -0.62 1.37 3.86 -0.87 0.22 115.15 121.02 1xd3 h HIS 102 Ca 0.22 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1xd3 h HIS 102 Cb -0.02 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 1xd3 h HIS 102 CO -0.02 0.79 0.04 0.00 0.86 0.00 0.00 177.93 179.60 1xd3 h ALA 103 N 1.20 0.83 0.07 2.45 0.00 -0.75 -2.79 119.26 120.26 1xd3 h ALA 103 Ca 0.27 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1xd3 h ALA 103 Cb 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xd3 h ALA 103 CO -0.04 0.64 -0.48 0.82 0.00 0.00 0.00 179.25 180.20 1xd3 h ILE 104 N 0.98 1.59 -0.68 0.00 1.08 -1.01 -3.29 117.51 116.18 1xd3 h ILE 104 Ca 0.18 -2.35 0.10 0.00 -0.39 0.00 0.00 64.86 62.41 1xd3 h ILE 104 Cb 0.51 3.13 -0.04 0.00 -3.07 0.00 0.00 36.82 37.35 1xd3 h ILE 104 CO 0.02 0.65 0.45 0.00 -0.69 0.00 0.00 178.15 178.58 1xd3 h ALA 105 N 0.11 1.93 -0.22 1.87 0.00 -0.62 -0.72 119.26 121.62 1xd3 h ALA 105 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xd3 h ALA 105 Cb 1.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xd3 h ALA 105 CO 0.09 -0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1xd3 n ASN 106 N -4.48 1.70 -0.50 0.00 3.02 -1.05 -3.55 115.26 110.39 1xd3 n ASN 106 Ca 0.11 -1.80 0.02 0.00 -0.03 0.00 0.00 54.58 52.89 1xd3 n ASN 106 Cb 0.36 -0.14 0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.36 0.44 -0.29 6.41 3.02 -0.40 -4.93 115.26 119.88 1xd3 n ASN 107 Ca 0.15 -2.19 0.10 0.00 -0.03 0.00 0.00 54.58 52.61 1xd3 n ASN 107 Cb 0.31 -0.25 0.23 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.08 0.11 0.00 3.52 3.64 -1.26 0.55 116.57 123.21 1xd3 h LYS 108 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xd3 h LYS 108 Cb 1.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1xd3 h LYS 108 CO 0.01 0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 177.01 1xd3 n ASP 109 N -5.34 0.00 -0.55 4.20 8.00 -1.26 -1.67 116.55 119.93 1xd3 n ASP 109 Ca 0.19 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.30 1xd3 n ASP 109 Cb 0.61 -0.50 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1xd3 n ASP 109 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xd3 n LYS 110 N -1.50 1.35 -4.03 -1.24 5.02 0.18 -4.96 118.16 112.97 1xd3 n LYS 110 Ca 0.03 -1.10 -0.22 0.00 -2.02 0.00 0.00 58.31 55.00 1xd3 n LYS 110 Cb 0.15 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.40 3.19 -0.22 1.97 -1.94 -0.67 -5.00 119.30 114.23 1xd3 s MET 111 Ca 0.21 -0.87 -0.00 0.00 -1.71 0.00 0.00 55.69 53.32 1xd3 s MET 111 Cb 0.19 -2.75 0.06 0.00 2.01 0.00 0.00 34.83 34.33 1xd3 s MET 111 CO 0.52 0.43 -0.03 -1.58 -0.01 0.00 0.00 175.02 174.36 1xd3 s HIS 112 N -1.99 1.98 0.27 -0.03 2.46 -1.26 -5.02 115.29 111.70 1xd3 s HIS 112 Ca 0.33 -1.46 -0.19 0.00 0.47 0.00 0.00 55.06 54.22 1xd3 s HIS 112 Cb -0.09 -1.42 -0.09 0.00 -0.13 0.00 0.00 32.58 30.86 1xd3 s HIS 112 CO 0.27 -0.72 0.76 -0.06 -2.47 0.00 0.00 174.74 172.52 1xd3 s PHE 113 N 1.54 3.56 0.65 3.88 0.08 -1.26 -1.35 117.98 125.07 1xd3 s PHE 113 Ca -0.04 1.39 -0.14 0.00 0.12 0.00 0.00 56.93 58.27 1xd3 s PHE 113 Cb -0.18 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.63 1xd3 s PHE 113 CO -0.07 0.23 1.07 -1.21 -0.10 0.00 0.00 175.22 175.15 1xd3 s GLU 114 N -2.32 3.00 0.22 0.44 2.02 0.82 -4.83 118.70 118.05 1xd3 s GLU 114 Ca 0.48 1.15 -0.08 0.00 0.02 0.00 0.00 54.97 56.54 1xd3 s GLU 114 Cb -0.15 -1.99 0.34 0.00 0.10 0.00 0.00 34.13 32.43 1xd3 s GLU 114 CO 0.20 -1.06 1.75 0.66 0.02 0.00 0.00 175.26 176.83 1xd3 h SER 115 N -0.15 0.28 -0.90 -0.19 4.64 -1.97 -2.49 113.55 112.77 1xd3 h SER 115 Ca -0.45 0.08 -0.49 0.00 -0.47 0.00 0.00 61.79 60.46 1xd3 h SER 115 Cb 1.22 0.05 -0.28 0.00 -0.31 0.00 0.00 62.40 63.09 1xd3 h SER 115 CO 0.56 0.15 0.62 0.61 -0.87 0.00 0.00 176.83 177.90 1xd3 n GLY 116 N -1.30 4.41 3.70 -0.77 0.00 -1.26 -4.99 105.19 104.98 1xd3 n GLY 116 Ca 0.11 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1xd3 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xd3 s SER 117 N -1.12 6.58 0.17 1.61 0.15 -0.94 -4.91 113.70 115.25 1xd3 s SER 117 Ca 0.52 2.54 -0.06 0.00 0.70 0.00 0.00 55.95 59.66 1xd3 s SER 117 Cb 0.44 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 62.22 1xd3 s SER 117 CO 0.09 -0.88 1.48 0.00 1.20 0.00 0.00 173.24 175.13 1xd3 h THR 118 N 4.57 1.30 -0.30 6.45 1.03 -1.79 -2.78 112.91 121.38 1xd3 h THR 118 Ca -0.43 -1.74 -0.12 0.00 -0.01 0.00 0.00 66.41 64.11 1xd3 h THR 118 Cb 1.20 1.68 -0.01 0.00 -1.07 0.00 0.00 68.15 69.95 1xd3 h THR 118 CO 0.93 0.55 -0.30 0.25 -0.01 0.00 0.00 175.52 176.94 1xd3 h LEU 119 N 0.53 0.65 -0.51 0.00 5.85 -1.76 -1.21 115.31 118.86 1xd3 h LEU 119 Ca 0.02 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1xd3 h LEU 119 Cb 1.09 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1xd3 h LEU 119 CO 0.11 0.92 0.27 0.50 -0.34 0.00 0.00 178.44 179.89 1xd3 h LYS 120 N 0.54 0.52 -0.35 1.25 3.64 -1.75 -0.42 116.57 120.00 1xd3 h LYS 120 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1xd3 h LYS 120 Cb 0.79 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1xd3 h LYS 120 CO 0.06 0.34 0.17 -0.22 -2.27 0.00 0.00 179.45 177.53 1xd3 h LYS 121 N 0.53 0.51 -0.45 1.90 3.64 -1.21 -1.00 116.57 120.48 1xd3 h LYS 121 Ca 0.22 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1xd3 h LYS 121 Cb 0.10 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1xd3 h LYS 121 CO -0.14 0.46 0.23 0.35 -2.27 0.00 0.00 179.45 178.08 1xd3 h PHE 122 N 0.43 0.41 -0.47 1.91 3.57 -0.78 -1.05 116.94 120.97 1xd3 h PHE 122 Ca 0.12 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 1xd3 h PHE 122 Cb 0.12 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1xd3 h PHE 122 CO -0.01 0.21 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.04 1xd3 h LEU 123 N 0.45 0.91 -0.69 0.59 3.38 -0.91 -1.68 115.31 117.37 1xd3 h LEU 123 Ca 0.19 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1xd3 h LEU 123 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1xd3 h LEU 123 CO -0.14 1.07 0.03 -0.33 0.09 0.00 0.00 178.44 179.16 1xd3 h GLU 124 N 0.80 1.04 0.00 1.13 5.08 -0.85 -2.01 114.58 119.77 1xd3 h GLU 124 Ca 0.12 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1xd3 h GLU 124 Cb 0.71 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xd3 h GLU 124 CO 0.05 1.00 0.00 0.93 -1.00 0.00 0.00 179.01 179.99 1xd3 h GLU 125 N 0.96 0.00 -0.26 2.33 4.39 -1.07 -3.28 114.58 117.64 1xd3 h GLU 125 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1xd3 h GLU 125 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1xd3 h GLU 125 CO 0.02 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.74 1xd3 n SER 126 N -2.49 2.67 -0.33 1.42 3.41 -0.64 -4.70 113.62 112.95 1xd3 n SER 126 Ca 0.05 -1.93 0.09 0.00 -0.26 0.00 0.00 58.87 56.83 1xd3 n SER 126 Cb 0.44 -0.17 0.30 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.74 0.87 -0.42 -3.33 3.04 -1.43 -2.28 116.25 114.44 1xd3 h VAL 127 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1xd3 h VAL 127 Cb 0.66 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1xd3 h VAL 127 CO 0.00 0.16 0.00 -1.20 -1.01 0.00 0.00 177.57 175.52 1xd3 n SER 128 N -4.61 3.37 -4.84 3.17 7.64 -1.26 -4.97 113.62 112.11 1xd3 n SER 128 Ca 0.19 -1.95 -0.32 0.00 1.01 0.00 0.00 58.87 57.79 1xd3 n SER 128 Cb 0.42 -0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.29 4.04 0.81 1.43 -1.94 -0.86 -5.06 119.30 116.43 1xd3 s MET 129 Ca 0.36 0.96 -0.12 0.00 -1.71 0.00 0.00 55.69 55.18 1xd3 s MET 129 Cb 0.21 -2.19 0.08 0.00 2.01 0.00 0.00 34.83 34.93 1xd3 s MET 129 CO 0.28 -0.14 1.13 -1.54 -0.01 0.00 0.00 175.02 174.74 1xd3 s SER 130 N -2.71 4.49 0.35 3.03 1.04 -1.26 -4.79 113.70 113.84 1xd3 s SER 130 Ca 0.59 1.05 0.06 0.00 0.48 0.00 0.00 55.95 58.13 1xd3 s SER 130 Cb -0.10 -1.70 0.72 0.00 0.10 0.00 0.00 66.02 65.05 1xd3 s SER 130 CO 0.24 -1.94 1.93 -0.65 0.98 0.00 0.00 173.24 173.79 1xd3 h PRO 131 N -1.07 0.77 -0.36 4.02 0.11 -1.98 -0.44 132.00 133.04 1xd3 h PRO 131 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1xd3 h PRO 131 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xd3 h PRO 131 CO 0.63 0.51 -0.06 0.93 -0.21 0.00 0.00 178.00 179.79 1xd3 h GLU 132 N 0.79 0.68 -0.30 1.05 3.07 -1.92 -2.36 114.58 115.59 1xd3 h GLU 132 Ca 0.36 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 1xd3 h GLU 132 Cb 0.37 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1xd3 h GLU 132 CO -0.14 0.83 -0.21 0.93 -1.40 0.00 0.00 179.01 179.02 1xd3 h GLU 133 N 0.48 0.56 -0.82 2.33 5.08 -1.72 -2.34 114.58 118.15 1xd3 h GLU 133 Ca 0.09 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1xd3 h GLU 133 Cb 0.56 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1xd3 h GLU 133 CO 0.03 0.73 0.37 0.00 -1.00 0.00 0.00 179.01 179.14 1xd3 h ARG 134 N 0.50 1.20 -0.50 2.33 3.08 -0.98 -0.02 114.38 119.99 1xd3 h ARG 134 Ca 0.08 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1xd3 h ARG 134 Cb 0.64 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1xd3 h ARG 134 CO 0.05 0.94 0.22 0.00 -1.07 0.00 0.00 179.97 180.10 1xd3 h ALA 135 N 1.22 0.65 -0.42 0.04 0.00 -1.13 -1.35 119.26 118.27 1xd3 h ALA 135 Ca 0.28 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1xd3 h ALA 135 Cb 0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xd3 h ALA 135 CO -0.03 0.24 -0.12 0.07 0.00 0.00 0.00 179.25 179.41 1xd3 h ARG 136 N 0.67 0.75 -0.73 0.00 -0.00 -1.04 -2.64 114.38 111.38 1xd3 h ARG 136 Ca 0.17 -0.25 -0.02 0.00 -0.00 0.00 0.00 59.98 59.88 1xd3 h ARG 136 Cb 0.17 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 30.04 1xd3 h ARG 136 CO -0.02 0.83 0.37 -0.92 -0.00 0.00 0.00 179.97 180.24 1xd3 h TYR 137 N 0.68 1.03 -0.26 4.08 3.20 -0.63 -2.19 116.97 122.87 1xd3 h TYR 137 Ca 0.11 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1xd3 h TYR 137 Cb 0.59 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1xd3 h TYR 137 CO 0.03 0.74 -0.01 1.25 -1.64 0.00 0.00 178.16 178.53 1xd3 h LEU 138 N 1.01 0.35 -2.90 2.82 5.85 -0.92 -2.16 115.31 119.38 1xd3 h LEU 138 Ca 0.25 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1xd3 h LEU 138 Cb 0.08 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1xd3 h LEU 138 CO -0.04 0.42 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.16 1xd3 h GLU 139 N 0.37 0.00 -0.06 1.25 5.08 -1.06 -2.38 114.58 117.78 1xd3 h GLU 139 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1xd3 h GLU 139 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1xd3 h GLU 139 CO 0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 1xd3 n ASN 140 N -3.22 1.81 -4.45 1.42 3.02 -0.86 -4.89 115.26 108.10 1xd3 n ASN 140 Ca -0.03 -1.57 -0.44 0.00 -0.03 0.00 0.00 54.58 52.50 1xd3 n ASN 140 Cb 0.07 -0.04 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 -0.65 3.52 0.30 3.10 5.04 -0.90 -4.88 117.35 122.87 1xd3 s TYR 141 Ca 0.06 -2.06 0.05 0.00 -2.44 0.00 0.00 57.07 52.68 1xd3 s TYR 141 Cb 0.04 -4.26 0.72 0.00 0.35 0.00 0.00 41.96 38.81 1xd3 s TYR 141 CO 0.05 -1.36 1.79 -0.44 -1.34 0.00 0.00 175.55 174.24 1xd3 h ASP 142 N 7.40 0.80 -1.00 4.32 3.32 -1.90 -2.30 116.42 127.07 1xd3 h ASP 142 Ca 0.27 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.48 1xd3 h ASP 142 Cb 0.90 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.33 1xd3 h ASP 142 CO 1.19 0.31 0.65 0.00 -1.72 0.00 0.00 179.24 179.66 1xd3 h ALA 143 N 1.63 1.42 0.07 3.45 0.00 -1.98 0.36 119.26 124.22 1xd3 h ALA 143 Ca 0.57 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.21 1xd3 h ALA 143 Cb 0.85 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xd3 h ALA 143 CO -0.36 0.43 -1.10 0.82 0.00 0.00 0.00 179.25 179.04 1xd3 h ILE 144 N 1.16 1.47 -0.69 0.00 2.04 -1.82 -2.43 117.51 117.24 1xd3 h ILE 144 Ca 0.43 -2.82 -0.00 0.00 1.00 0.00 0.00 64.86 63.47 1xd3 h ILE 144 Cb 0.19 2.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1xd3 h ILE 144 CO -0.18 0.83 0.42 -0.09 0.00 0.00 0.00 178.15 179.13 1xd3 h ARG 145 N 0.13 0.94 -0.42 2.37 2.43 -1.01 -0.56 114.38 118.26 1xd3 h ARG 145 Ca -0.10 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1xd3 h ARG 145 Cb 1.78 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 1xd3 h ARG 145 CO 0.18 0.67 -0.19 0.28 -1.51 0.00 0.00 179.97 179.40 1xd3 h VAL 146 N 0.95 1.28 -0.22 0.20 2.07 -0.96 -2.01 116.25 117.56 1xd3 h VAL 146 Ca 0.25 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 1xd3 h VAL 146 Cb -0.03 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xd3 h VAL 146 CO -0.05 0.45 -0.34 0.71 0.02 0.00 0.00 177.57 178.36 1xd3 h THR 147 N 0.71 1.29 -0.39 2.57 1.35 -1.27 -1.54 112.91 115.62 1xd3 h THR 147 Ca 0.10 -1.44 -0.04 0.00 -0.55 0.00 0.00 66.41 64.48 1xd3 h THR 147 Cb 0.76 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 1xd3 h THR 147 CO 0.06 0.45 0.08 -0.74 -0.25 0.00 0.00 175.52 175.12 1xd3 h HIS 148 N 0.40 0.67 -0.57 4.73 6.17 -1.02 -0.99 115.15 124.52 1xd3 h HIS 148 Ca 0.05 -0.08 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 1xd3 h HIS 148 Cb 0.79 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.51 1xd3 h HIS 148 CO 0.03 0.65 0.35 1.49 0.71 0.00 0.00 177.93 181.16 1xd3 h GLU 149 N 0.49 0.77 -0.63 5.26 4.81 -1.10 0.14 114.58 124.32 1xd3 h GLU 149 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1xd3 h GLU 149 Cb 0.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1xd3 h GLU 149 CO 0.00 0.55 0.33 1.15 -0.73 0.00 0.00 179.01 180.31 1xd3 h THR 150 N 0.77 1.21 -0.08 0.32 2.02 -1.13 -2.24 112.91 113.78 1xd3 h THR 150 Ca 0.21 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1xd3 h THR 150 Cb -0.03 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1xd3 h THR 150 CO -0.04 0.23 -0.30 0.28 0.37 0.00 0.00 175.52 176.06 1xd3 h SER 151 N 0.87 0.14 0.18 4.18 0.02 -0.65 -2.59 113.55 115.71 1xd3 h SER 151 Ca 0.22 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1xd3 h SER 151 Cb 0.07 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1xd3 h SER 151 CO -0.03 0.45 -0.06 0.00 -1.14 0.00 0.00 176.83 176.05 1xd3 h ALA 152 N 1.56 1.39 -0.00 3.77 0.00 -0.12 -1.36 119.26 124.50 1xd3 h ALA 152 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xd3 h ALA 152 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xd3 h ALA 152 CO 0.04 0.07 -0.20 0.72 0.00 0.00 0.00 179.25 179.89 1xd3 n HIS 153 N -3.71 0.00 -2.69 0.00 8.25 -0.97 -4.43 115.22 111.66 1xd3 n HIS 153 Ca -0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.20 1xd3 n HIS 153 Cb 0.16 -0.24 0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.68 2.87 0.00 -0.41 2.02 -0.51 -4.76 118.70 115.23 1xd3 s GLU 154 Ca 0.22 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1xd3 s GLU 154 Cb 0.19 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1xd3 s GLU 154 CO 0.54 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1xd3 n GLY 155 N -2.33 1.53 0.06 -1.39 0.00 -1.26 -4.73 105.19 97.06 1xd3 n GLY 155 Ca 0.04 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 43.93 1xd3 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xd3 n GLN 156 N -1.01 0.20 -4.18 1.61 10.64 -1.26 -4.83 117.38 118.55 1xd3 n GLN 156 Ca 0.00 0.11 -0.26 0.00 -1.83 0.00 0.00 57.00 55.02 1xd3 n GLN 156 Cb 0.00 -1.68 -0.07 0.00 -0.86 0.00 0.00 30.24 27.63 1xd3 n GLN 156 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1xd3 s THR 157 N -3.10 3.92 0.35 -0.39 -4.23 -1.26 -5.11 115.64 105.83 1xd3 s THR 157 Ca 0.10 -1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.08 1xd3 s THR 157 Cb 0.14 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.90 1xd3 s THR 157 CO 0.64 -0.12 0.81 -1.61 -0.54 0.00 0.00 174.62 173.79 1xd3 s GLU 158 N -3.03 4.10 0.42 3.99 0.41 -1.26 -4.85 118.70 118.49 1xd3 s GLU 158 Ca 0.29 0.83 -0.25 0.00 -0.41 0.00 0.00 54.97 55.42 1xd3 s GLU 158 Cb -0.09 -2.38 -0.08 0.00 -1.78 0.00 0.00 34.13 29.79 1xd3 s GLU 158 CO 0.20 0.11 1.32 0.00 -0.49 0.00 0.00 175.26 176.40 1xd3 s ALA 159 N -2.01 3.21 0.81 5.21 0.00 -1.26 -5.02 121.76 122.70 1xd3 s ALA 159 Ca 0.56 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 1xd3 s ALA 159 Cb -0.10 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.61 1xd3 s ALA 159 CO 0.16 -0.90 1.17 -1.25 0.00 0.00 0.00 175.76 174.94 1xd3 s PRO 160 N -2.34 1.80 0.40 0.00 0.04 -1.26 -5.02 135.00 128.61 1xd3 s PRO 160 Ca 0.59 -0.05 -0.26 0.00 0.04 0.00 0.00 61.00 61.31 1xd3 s PRO 160 Cb -0.38 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.09 1xd3 s PRO 160 CO 0.49 -1.66 1.28 -1.12 0.04 0.00 0.00 177.00 176.04 1xd3 s SER 161 N -4.62 6.39 0.48 6.66 0.01 -1.26 -4.92 113.70 116.44 1xd3 s SER 161 Ca 0.64 2.62 0.20 0.00 1.31 0.00 0.00 55.95 60.71 1xd3 s SER 161 Cb -0.10 -2.64 1.19 0.00 0.21 0.00 0.00 66.02 64.68 1xd3 s SER 161 CO 0.49 -0.79 2.03 -0.29 0.41 0.00 0.00 173.24 175.08 1xd3 h ILE 162 N 2.51 0.91 -0.02 1.44 2.10 -1.95 -2.57 117.51 119.93 1xd3 h ILE 162 Ca -0.49 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 64.86 1xd3 h ILE 162 Cb 1.24 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 1xd3 h ILE 162 CO 0.63 0.16 0.00 0.47 -1.08 0.00 0.00 178.15 178.33 1xd3 n ASP 163 N -4.05 1.35 -4.77 2.19 8.00 -1.26 -4.89 116.55 113.12 1xd3 n ASP 163 Ca -0.02 -1.47 -0.40 0.00 0.71 0.00 0.00 54.79 53.61 1xd3 n ASP 163 Cb 0.24 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1xd3 n ASP 163 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xd3 s GLU 164 N -1.98 4.26 0.36 -1.24 2.02 -0.97 -4.95 118.70 116.19 1xd3 s GLU 164 Ca 0.39 2.16 -0.28 0.00 0.02 0.00 0.00 54.97 57.25 1xd3 s GLU 164 Cb 0.21 -2.98 -0.10 0.00 0.10 0.00 0.00 34.13 31.36 1xd3 s GLU 164 CO 0.33 -0.25 1.36 -1.59 0.02 0.00 0.00 175.26 175.14 1xd3 s LYS 165 N -1.91 4.22 -0.12 1.61 -2.85 -1.26 -5.01 119.74 114.42 1xd3 s LYS 165 Ca 0.51 2.31 0.02 0.00 -1.00 0.00 0.00 55.97 57.81 1xd3 s LYS 165 Cb -0.38 -2.99 0.01 0.00 -2.06 0.00 0.00 37.83 32.40 1xd3 s LYS 165 CO 0.50 -0.34 -0.19 0.08 0.10 0.00 0.00 175.35 175.51 1xd3 s VAL 166 N -1.15 1.82 -0.16 1.79 1.01 -1.26 -5.02 120.40 117.43 1xd3 s VAL 166 Ca 0.51 -0.84 0.15 0.00 0.00 0.00 0.00 61.98 61.81 1xd3 s VAL 166 Cb -0.41 -1.62 0.34 0.00 0.00 0.00 0.00 36.38 34.68 1xd3 s VAL 166 CO 0.55 0.50 1.17 -0.90 0.00 0.00 0.00 175.10 176.43 1xd3 n ASP 167 N 4.09 1.95 -4.28 3.32 5.75 -1.26 -5.00 116.55 121.12 1xd3 n ASP 167 Ca -0.20 -3.36 -0.28 0.00 -0.01 0.00 0.00 54.79 50.94 1xd3 n ASP 167 Cb 0.51 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 39.99 1xd3 n ASP 167 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xd3 s LEU 168 N -2.84 2.11 0.06 -2.12 1.43 -1.26 -0.54 118.68 115.52 1xd3 s LEU 168 Ca 0.33 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1xd3 s LEU 168 Cb 0.31 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1xd3 s LEU 168 CO -0.02 0.25 -0.07 -2.28 0.23 0.00 0.00 176.35 174.45 1xd3 s HIS 169 N -0.68 0.74 -0.08 0.29 2.46 0.09 -4.90 115.29 113.20 1xd3 s HIS 169 Ca 0.09 -0.64 0.00 0.00 0.47 0.00 0.00 55.06 54.98 1xd3 s HIS 169 Cb -0.09 -0.44 -0.03 0.00 -0.13 0.00 0.00 32.58 31.89 1xd3 s HIS 169 CO 0.01 -0.11 -0.08 -0.06 -2.47 0.00 0.00 174.74 172.03 1xd3 s PHE 170 N -2.14 2.92 0.10 3.88 0.08 -1.26 -1.07 117.98 120.50 1xd3 s PHE 170 Ca -0.03 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1xd3 s PHE 170 Cb -0.05 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 1xd3 s PHE 170 CO -0.01 0.23 -0.08 0.96 -0.10 0.00 0.00 175.22 176.22 1xd3 s ILE 171 N -0.56 0.82 -0.00 0.64 -4.36 -0.35 -4.78 121.20 112.60 1xd3 s ILE 171 Ca 0.08 -1.83 0.04 0.00 -0.26 0.00 0.00 60.65 58.68 1xd3 s ILE 171 Cb -0.12 -1.56 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 1xd3 s ILE 171 CO 0.02 -0.75 -0.11 0.00 0.24 0.00 0.00 174.94 174.34 1xd3 s ALA 172 N -3.14 2.85 -0.14 2.27 0.00 -0.84 -0.84 121.76 121.92 1xd3 s ALA 172 Ca 0.10 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1xd3 s ALA 172 Cb 0.02 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1xd3 s ALA 172 CO -0.02 0.59 -0.18 -0.51 0.00 0.00 0.00 175.76 175.64 1xd3 s LEU 173 N -1.26 1.92 0.11 0.00 1.43 0.22 -0.30 118.68 120.79 1xd3 s LEU 173 Ca 0.15 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1xd3 s LEU 173 Cb -0.11 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1xd3 s LEU 173 CO 0.05 0.02 0.01 0.68 0.23 0.00 0.00 176.35 177.35 1xd3 s VAL 174 N 1.09 0.24 -0.22 -1.59 -7.23 -0.59 -1.83 120.40 110.27 1xd3 s VAL 174 Ca -0.02 -1.89 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1xd3 s VAL 174 Cb -0.14 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1xd3 s VAL 174 CO -0.06 -0.68 0.06 -2.28 -0.31 0.00 0.00 175.10 171.84 1xd3 s HIS 175 N -3.94 3.14 -0.05 2.82 2.46 -1.26 -0.62 115.29 117.83 1xd3 s HIS 175 Ca 0.17 -0.22 -0.01 0.00 0.47 0.00 0.00 55.06 55.47 1xd3 s HIS 175 Cb 0.07 -2.17 0.03 0.00 -0.13 0.00 0.00 32.58 30.38 1xd3 s HIS 175 CO -0.02 -0.15 0.02 0.08 -2.47 0.00 0.00 174.74 172.19 1xd3 s VAL 176 N 1.10 0.19 -1.38 0.89 1.01 -0.03 -4.91 120.40 117.27 1xd3 s VAL 176 Ca 0.04 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 1xd3 s VAL 176 Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1xd3 s VAL 176 CO 0.03 0.20 0.36 -0.67 0.00 0.00 0.00 175.10 175.02 1xd3 n ASP 177 N 4.86 -1.42 0.00 3.32 2.03 -1.26 -1.88 116.55 122.19 1xd3 n ASP 177 Ca -0.12 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 53.97 1xd3 n ASP 177 Cb 0.50 -2.01 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 1xd3 n ASP 177 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xd3 n GLY 178 N -2.25 1.52 3.28 0.27 0.00 -1.26 -5.03 105.19 101.71 1xd3 n GLY 178 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.99 1.61 -0.26 1.61 3.76 -0.79 -1.82 115.29 116.41 1xd3 s HIS 179 Ca 0.00 -0.51 -0.16 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 0.23 0.40 -1.17 -0.85 0.00 0.00 174.74 173.36 1xd3 s LEU 180 N -2.53 4.05 -0.09 0.89 2.96 0.74 -0.85 118.68 123.85 1xd3 s LEU 180 Ca 0.12 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1xd3 s LEU 180 Cb -0.05 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1xd3 s LEU 180 CO 0.05 -0.20 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.41 1xd3 s TYR 181 N 2.08 2.71 -0.21 5.38 2.02 0.20 -0.24 117.35 129.30 1xd3 s TYR 181 Ca 0.16 -0.51 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1xd3 s TYR 181 Cb -0.16 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1xd3 s TYR 181 CO 0.10 -0.09 0.30 -2.00 -1.57 0.00 0.00 175.55 172.29 1xd3 s GLU 182 N -0.09 4.16 -0.27 -0.62 2.12 -0.16 -1.54 118.70 122.30 1xd3 s GLU 182 Ca -0.03 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 1xd3 s GLU 182 Cb -0.14 -3.52 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1xd3 s GLU 182 CO 0.04 0.05 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.26 1xd3 s LEU 183 N 1.06 3.55 -0.17 2.70 1.43 0.59 -1.10 118.68 126.75 1xd3 s LEU 183 Ca 0.15 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1xd3 s LEU 183 Cb -0.14 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1xd3 s LEU 183 CO 0.06 -0.20 0.02 -0.62 0.23 0.00 0.00 176.35 175.84 1xd3 s ASP 184 N 1.27 2.62 0.23 2.29 -1.08 -1.26 -1.98 116.67 118.76 1xd3 s ASP 184 Ca -0.03 -0.65 0.17 0.00 -0.52 0.00 0.00 52.55 51.52 1xd3 s ASP 184 Cb -0.18 -0.59 0.87 0.00 -1.46 0.00 0.00 42.92 41.56 1xd3 s ASP 184 CO -0.03 -0.27 1.52 0.61 0.52 0.00 0.00 175.17 177.52 1xd3 n GLY 185 N 5.06 -0.86 0.09 2.66 0.00 -1.26 -1.39 105.19 109.48 1xd3 n GLY 185 Ca -0.09 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.06 0.23 -3.26 1.61 1.74 -1.26 -0.46 116.66 113.19 1xd3 n ARG 186 Ca -0.00 0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 57.03 1xd3 n ARG 186 Cb 0.06 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 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 -3.10 3.13 0.00 5.56 1.02 -0.49 -5.00 119.74 120.87 1xd3 s LYS 187 Ca 0.10 -0.70 0.29 0.00 0.02 0.00 0.00 55.97 55.68 1xd3 s LYS 187 Cb 0.13 -2.69 1.41 0.00 -0.52 0.00 0.00 37.83 36.16 1xd3 s LYS 187 CO 0.61 -0.07 1.99 -0.35 -0.92 0.00 0.00 175.35 176.61 1xd3 n PRO 188 N -1.85 0.31 -3.68 -1.68 -0.05 -1.26 -4.92 135.00 121.87 1xd3 n PRO 188 Ca -0.00 0.01 -0.03 0.00 -0.05 0.00 0.00 63.50 63.43 1xd3 n PRO 188 Cb 0.58 -1.50 -0.01 0.00 -0.05 0.00 0.00 33.50 32.51 1xd3 n PRO 188 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 1xd3 s PHE 189 N -2.68 -0.14 0.84 0.54 -0.12 -1.26 -5.11 117.98 110.05 1xd3 s PHE 189 Ca 0.24 -0.08 -0.10 0.00 -0.05 0.00 0.00 56.93 56.94 1xd3 s PHE 189 Cb 0.19 0.60 0.10 0.00 -0.63 0.00 0.00 43.02 43.28 1xd3 s PHE 189 CO 0.46 -0.64 1.11 -2.14 -0.05 0.00 0.00 175.22 173.97 1xd3 s PRO 190 N -3.04 1.65 -0.20 1.99 0.02 -1.26 -4.74 135.00 129.41 1xd3 s PRO 190 Ca 0.11 1.31 -0.02 0.00 0.02 0.00 0.00 61.00 62.42 1xd3 s PRO 190 Cb -0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1xd3 s PRO 190 CO -0.01 -2.11 -0.10 0.42 -0.33 0.00 0.00 177.00 174.87 1xd3 s ILE 191 N -2.79 2.93 -0.32 2.83 -1.09 -0.25 -4.94 121.20 117.56 1xd3 s ILE 191 Ca 0.64 -0.65 -0.27 0.00 -2.23 0.00 0.00 60.65 58.14 1xd3 s ILE 191 Cb -0.20 -2.30 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 1xd3 s ILE 191 CO 0.57 0.47 0.95 0.21 -1.23 0.00 0.00 174.94 175.91 1xd3 s ASN 192 N 1.34 6.81 -0.22 3.58 3.84 -1.26 -0.98 114.94 128.04 1xd3 s ASN 192 Ca 0.04 0.86 0.15 0.00 0.21 0.00 0.00 52.86 54.12 1xd3 s ASN 192 Cb -0.14 -2.48 0.76 0.00 -0.55 0.00 0.00 41.25 38.84 1xd3 s ASN 192 CO -0.06 -0.78 1.68 1.41 -2.79 0.00 0.00 177.10 176.57 1xd3 n HIS 193 N 6.60 1.84 0.00 0.43 8.25 0.67 -5.01 115.22 127.99 1xd3 n HIS 193 Ca 0.08 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 1xd3 n HIS 193 Cb 0.48 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 0.44 -2.81 3.76 -1.41 0.00 -1.26 -4.81 105.19 99.11 1xd3 n GLY 194 Ca 0.26 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1xd3 n GLY 194 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xd3 s GLU 195 N -0.52 2.96 0.18 1.61 -1.05 -1.26 -0.18 118.70 120.43 1xd3 s GLU 195 Ca 0.00 1.60 -0.23 0.00 -0.15 0.00 0.00 54.97 56.19 1xd3 s GLU 195 Cb 0.00 -1.95 0.07 0.00 -0.44 0.00 0.00 34.13 31.81 1xd3 s GLU 195 CO 0.00 -1.16 0.99 -0.08 0.95 0.00 0.00 175.26 175.95 1xd3 s THR 196 N -1.94 0.00 0.25 1.83 -1.32 -0.75 -4.59 115.64 109.11 1xd3 s THR 196 Ca 0.72 -0.65 -0.08 0.00 -1.21 0.00 0.00 61.69 60.47 1xd3 s THR 196 Cb -0.25 -2.38 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 1xd3 s THR 196 CO 0.35 0.00 0.39 -0.94 -2.21 0.00 0.00 174.62 172.21 1xd3 s SER 197 N -3.13 0.13 0.25 8.08 1.04 -1.26 -4.26 113.70 114.56 1xd3 s SER 197 Ca 0.16 -1.14 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 1xd3 s SER 197 Cb -0.02 0.55 0.40 0.00 0.10 0.00 0.00 66.02 67.05 1xd3 s SER 197 CO 0.04 -1.09 1.83 0.44 0.98 0.00 0.00 173.24 175.44 1xd3 h ASP 198 N 2.32 0.78 1.35 7.02 3.32 -1.96 -1.65 116.42 127.62 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 0.40 0.46 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.03 1xd3 h GLU 199 N 0.90 0.00 -0.03 3.56 3.07 -1.96 -3.30 114.58 116.82 1xd3 h GLU 199 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1xd3 h GLU 199 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1xd3 h GLU 199 CO -0.22 0.03 0.00 0.25 -1.40 0.00 0.00 179.01 177.66 1xd3 n THR 200 N -3.12 1.13 -0.18 1.13 -2.24 -0.95 -4.78 114.28 105.28 1xd3 n THR 200 Ca 0.02 -1.18 -0.03 0.00 -2.27 0.00 0.00 64.05 60.59 1xd3 n THR 200 Cb 0.40 0.39 0.07 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.20 0.33 -0.03 3.22 5.85 -1.39 -0.18 115.31 123.31 1xd3 h LEU 201 Ca 0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1xd3 h LEU 201 Cb 0.60 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1xd3 h LEU 201 CO 0.00 0.22 -0.05 0.25 -0.34 0.00 0.00 178.44 178.53 1xd3 h LEU 202 N 0.48 -0.15 -0.59 2.25 5.85 -1.86 0.26 115.31 121.55 1xd3 h LEU 202 Ca 0.24 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1xd3 h LEU 202 Cb 0.19 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1xd3 h LEU 202 CO -0.19 -0.07 0.27 -0.33 -0.34 0.00 0.00 178.44 177.78 1xd3 h GLU 203 N -0.08 0.85 -0.26 1.25 3.07 -1.84 -0.60 114.58 116.97 1xd3 h GLU 203 Ca 0.03 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.63 1xd3 h GLU 203 Cb 0.12 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1xd3 h GLU 203 CO -0.08 0.70 -0.39 -0.44 -1.40 0.00 0.00 179.01 177.40 1xd3 h ASP 204 N 0.80 0.65 -0.47 1.42 3.32 -0.76 -2.25 116.42 119.14 1xd3 h ASP 204 Ca 0.20 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1xd3 h ASP 204 Cb 0.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1xd3 h ASP 204 CO -0.02 0.97 -0.15 0.00 -1.72 0.00 0.00 179.24 178.31 1xd3 h ALA 205 N 1.06 0.65 -0.26 3.45 0.00 -0.31 -2.63 119.26 121.22 1xd3 h ALA 205 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xd3 h ALA 205 Cb 0.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xd3 h ALA 205 CO 0.08 0.58 0.10 0.82 0.00 0.00 0.00 179.25 180.83 1xd3 h ILE 206 N 0.77 1.11 -0.43 0.00 1.08 -0.92 -1.07 117.51 118.05 1xd3 h ILE 206 Ca 0.11 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 1xd3 h ILE 206 Cb 0.71 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1xd3 h ILE 206 CO 0.05 0.13 0.06 -0.33 -0.69 0.00 0.00 178.15 177.38 1xd3 h GLU 207 N 0.37 0.67 -0.38 2.37 4.39 -1.03 0.64 114.58 121.61 1xd3 h GLU 207 Ca 0.09 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1xd3 h GLU 207 Cb 0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1xd3 h GLU 207 CO -0.01 0.64 -0.35 0.28 -1.16 0.00 0.00 179.01 178.41 1xd3 h VAL 208 N 0.64 1.28 -0.79 3.13 2.07 -1.10 -2.45 116.25 119.03 1xd3 h VAL 208 Ca 0.14 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1xd3 h VAL 208 Cb 0.31 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1xd3 h VAL 208 CO 0.00 0.51 0.50 0.00 0.02 0.00 0.00 177.57 178.61 1xd3 h LYS 210 N 0.98 0.93 -0.80 0.00 3.64 -0.74 -1.77 116.57 118.82 1xd3 h LYS 210 Ca 0.32 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xd3 h LYS 210 Cb 0.01 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1xd3 h LYS 210 CO -0.11 0.67 0.35 0.87 -2.27 0.00 0.00 179.45 178.96 1xd3 h LYS 211 N 0.94 1.17 -0.70 1.90 1.57 -0.80 0.73 116.57 121.38 1xd3 h LYS 211 Ca 0.24 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1xd3 h LYS 211 Cb -0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1xd3 h LYS 211 CO -0.04 0.92 0.31 0.74 -0.57 0.00 0.00 179.45 180.81 1xd3 h PHE 212 N 1.15 1.03 -0.21 -1.35 -1.00 -0.83 -2.69 116.94 113.04 1xd3 h PHE 212 Ca 0.27 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.90 1xd3 h PHE 212 Cb 0.16 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.40 1xd3 h PHE 212 CO 0.02 0.78 -0.21 0.52 -1.61 0.00 0.00 178.31 177.81 1xd3 h MET 213 N 0.98 0.51 0.00 1.51 2.86 -0.91 -3.17 114.93 116.71 1xd3 h MET 213 Ca 0.24 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1xd3 h MET 213 Cb 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1xd3 h MET 213 CO -0.02 0.85 -0.12 1.05 1.06 0.00 0.00 176.91 179.73 1xd3 h GLU 214 N 0.19 0.00 -0.01 1.72 4.11 -0.81 -1.74 114.58 118.03 1xd3 h GLU 214 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1xd3 h GLU 214 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1xd3 h GLU 214 CO 0.05 0.12 -0.02 2.89 0.07 0.00 0.00 179.01 182.12 1xd3 n ARG 215 N -3.51 1.54 -3.16 1.06 1.85 -1.02 -3.87 116.66 109.56 1xd3 n ARG 215 Ca -0.01 -0.85 -0.17 0.00 -1.00 0.00 0.00 57.85 55.82 1xd3 n ARG 215 Cb 0.26 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 30.17 1xd3 n ARG 215 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1xd3 n ASP 216 N 0.01 0.79 0.28 2.89 -0.08 -0.68 -4.92 116.55 114.84 1xd3 n ASP 216 Ca 0.19 -3.01 0.18 0.00 -1.51 0.00 0.00 54.79 50.63 1xd3 n ASP 216 Cb 0.33 -0.56 0.87 0.00 2.34 0.00 0.00 41.12 44.10 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 3.00 0.00 -0.01 -0.67 0.13 -1.60 -1.62 132.00 131.23 1xd3 h PRO 217 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1xd3 h PRO 217 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1xd3 h PRO 217 CO 0.49 0.00 -0.06 -0.25 -0.23 0.00 0.00 178.00 177.95 1xd3 n ASP 218 N -3.19 1.29 -4.83 1.44 8.00 -1.26 -4.87 116.55 113.13 1xd3 n ASP 218 Ca -0.00 -1.31 -0.37 0.00 0.71 0.00 0.00 54.79 53.82 1xd3 n ASP 218 Cb 0.36 0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.12 3.76 -0.00 -1.24 0.41 -0.61 -4.96 118.70 113.93 1xd3 s GLU 219 Ca 0.35 0.05 0.08 0.00 -0.41 0.00 0.00 54.97 55.04 1xd3 s GLU 219 Cb 0.21 -3.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.21 1xd3 s GLU 219 CO 0.38 0.63 0.33 1.28 -0.49 0.00 0.00 175.26 177.39 1xd3 n LEU 220 N 2.31 0.34 -3.88 1.80 4.77 -1.26 -4.90 117.00 116.18 1xd3 n LEU 220 Ca -0.17 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 54.95 1xd3 n LEU 220 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1xd3 n LEU 220 CO 0.35 0.09 2.17 0.54 -1.33 0.00 0.00 177.39 179.20 1xd3 n ARG 221 N -1.24 2.04 -4.12 3.23 1.74 -1.26 -4.86 116.66 112.18 1xd3 n ARG 221 Ca 0.01 -2.27 -0.15 0.00 -0.77 0.00 0.00 57.85 54.67 1xd3 n ARG 221 Cb 0.13 -3.19 -0.11 0.00 -1.02 0.00 0.00 32.46 28.27 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 5.33 0.91 -0.17 -1.55 0.40 -1.26 -3.69 117.98 117.95 1xd3 s PHE 222 Ca 0.56 -0.53 -0.13 0.00 -0.60 0.00 0.00 56.93 56.23 1xd3 s PHE 222 Cb 0.11 -0.52 0.05 0.00 0.51 0.00 0.00 43.02 43.17 1xd3 s PHE 222 CO 0.06 -0.03 0.43 1.21 0.70 0.00 0.00 175.22 177.59 1xd3 s ASN 223 N -1.83 -0.50 -0.05 1.36 3.84 -0.70 -4.97 114.94 112.10 1xd3 s ASN 223 Ca -0.04 0.90 0.04 0.00 0.21 0.00 0.00 52.86 53.97 1xd3 s ASN 223 Cb -0.08 0.85 0.00 0.00 -0.55 0.00 0.00 41.25 41.47 1xd3 s ASN 223 CO 0.01 -0.17 -0.15 0.00 -2.79 0.00 0.00 177.10 173.99 1xd3 s ALA 224 N 0.77 1.39 0.02 1.71 0.00 -1.26 0.16 121.76 124.55 1xd3 s ALA 224 Ca -0.04 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.40 1xd3 s ALA 224 Cb -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1xd3 s ALA 224 CO -0.06 0.22 -0.20 0.96 0.00 0.00 0.00 175.76 176.69 1xd3 s ILE 225 N 0.20 1.60 -0.11 0.00 -4.36 -0.56 -2.39 121.20 115.58 1xd3 s ILE 225 Ca -0.06 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1xd3 s ILE 225 Cb -0.12 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 42.20 1xd3 s ILE 225 CO 0.02 0.29 -0.11 0.00 0.24 0.00 0.00 174.94 175.38 1xd3 s ALA 226 N -0.67 2.72 -0.63 2.27 0.00 -0.39 -0.96 121.76 124.10 1xd3 s ALA 226 Ca 0.07 -0.90 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 1xd3 s ALA 226 Cb -0.08 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.89 1xd3 s ALA 226 CO 0.01 0.34 0.95 -1.17 0.00 0.00 0.00 175.76 175.89 1xd3 s LEU 227 N -0.00 4.33 0.18 0.00 2.96 0.10 -1.30 118.68 124.95 1xd3 s LEU 227 Ca -0.03 -0.83 0.06 0.00 -0.22 0.00 0.00 54.13 53.12 1xd3 s LEU 227 Cb -0.14 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1xd3 s LEU 227 CO 0.04 -1.37 0.07 -0.44 -1.32 0.00 0.00 176.35 173.33 1xd3 s SER 228 N 3.43 5.12 0.44 3.68 0.01 -0.29 -1.32 113.70 124.76 1xd3 s SER 228 Ca 0.24 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 56.95 1xd3 s SER 228 Cb -0.16 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.78 1xd3 s SER 228 CO 0.12 0.07 1.40 0.00 0.41 0.00 0.00 173.24 175.24 1xd3 s ALA 229 N -1.81 3.26 0.00 1.44 0.00 -0.43 -0.38 121.76 123.84 1xd3 s ALA 229 Ca 0.30 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1xd3 s ALA 229 Cb -0.09 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1xd3 s ALA 229 CO 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 174.86