#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkh s GLN 2 N 0.00 2.19 0.37 3.17 -0.21 -1.26 -5.12 119.66 118.80 2dkh s GLN 2 Ca 0.00 -0.89 -0.15 0.00 0.02 0.00 0.00 55.36 54.34 2dkh s GLN 2 Cb 0.00 -2.19 0.04 0.00 1.00 0.00 0.00 33.01 31.87 2dkh s GLN 2 CO 0.00 0.57 0.74 -0.59 -2.12 0.00 0.00 175.29 173.89 2dkh s PHE 3 N -0.77 0.21 -1.24 0.91 -0.71 -1.26 -4.91 117.98 110.22 2dkh s PHE 3 Ca 0.12 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 2dkh s PHE 3 Cb -0.10 0.70 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 2dkh s PHE 3 CO 0.02 -1.48 0.00 0.72 -1.34 0.00 0.00 175.22 173.14 2dkh n HIS 4 N -0.53 -0.09 -0.34 3.49 8.25 -1.26 -4.92 115.22 119.82 2dkh n HIS 4 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2dkh n HIS 4 Cb 0.60 -2.29 0.13 0.00 1.12 0.00 0.00 29.99 29.54 2dkh n HIS 4 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2dkh h LEU 5 N 0.00 1.00 -2.93 2.41 5.85 -1.99 -2.88 115.31 116.77 2dkh h LEU 5 Ca -0.25 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2dkh h LEU 5 Cb 0.85 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2dkh h LEU 5 CO 0.36 0.68 0.00 0.59 -0.34 0.00 0.00 178.44 179.73 2dkh n ASN 6 N -4.50 3.46 0.00 1.25 3.02 -1.26 -4.47 115.26 112.76 2dkh n ASN 6 Ca 0.12 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 2dkh n ASN 6 Cb 0.10 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2dkh n ASN 6 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkh n GLY 7 N 0.69 3.75 3.73 7.41 0.00 -1.09 -4.89 105.19 114.80 2dkh n GLY 7 Ca 0.17 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2dkh n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dkh s PHE 8 N -2.00 3.18 -0.18 1.61 2.19 -1.26 -4.27 117.98 117.25 2dkh s PHE 8 Ca 0.00 1.05 0.00 0.00 0.33 0.00 0.00 56.93 58.31 2dkh s PHE 8 Cb 0.00 -3.70 0.04 0.00 -1.31 0.00 0.00 43.02 38.05 2dkh s PHE 8 CO 0.00 -2.34 -0.07 0.50 1.83 0.00 0.00 175.22 175.14 2dkh s ARG 9 N 0.28 1.65 0.83 10.12 3.52 -1.26 -5.06 118.95 129.03 2dkh s ARG 9 Ca 0.61 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 55.42 2dkh s ARG 9 Cb -0.38 -2.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.90 2dkh s ARG 9 CO 0.36 -0.45 1.11 -1.25 -0.81 0.00 0.00 175.30 174.27 2dkh s PRO 10 N 1.54 1.81 0.84 5.12 0.04 -1.26 -4.90 135.00 138.19 2dkh s PRO 10 Ca -0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2dkh s PRO 10 Cb -0.16 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2dkh s PRO 10 CO -0.08 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.58 2dkh n GLY 11 N -2.13 -1.99 3.65 0.56 0.00 -1.26 -4.81 105.19 99.21 2dkh n GLY 11 Ca 0.07 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2dkh n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dkh s ASN 12 N -4.00 6.52 0.29 1.61 3.84 -1.26 -4.87 114.94 117.07 2dkh s ASN 12 Ca 0.00 2.06 0.22 0.00 0.21 0.00 0.00 52.86 55.35 2dkh s ASN 12 Cb 0.00 -2.53 1.08 0.00 -0.55 0.00 0.00 41.25 39.25 2dkh s ASN 12 CO 0.00 -1.07 1.68 -0.81 -2.79 0.00 0.00 177.10 174.11 2dkh n PRO 13 N 7.37 0.17 0.00 0.43 -0.04 -1.26 -1.58 135.00 140.09 2dkh n PRO 13 Ca 0.18 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.29 2dkh n PRO 13 Cb 0.44 -1.92 0.47 0.00 -0.04 0.00 0.00 33.50 32.45 2dkh n PRO 13 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dkh n LEU 14 N -2.25 0.00 -4.44 1.53 4.77 -1.26 -4.43 117.00 110.91 2dkh n LEU 14 Ca 0.00 0.48 -0.44 0.00 -0.03 0.00 0.00 56.01 56.03 2dkh n LEU 14 Cb 0.12 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2dkh n LEU 14 CO 0.14 -0.12 0.27 -0.63 -1.33 0.00 0.00 177.39 175.72 2dkh s ILE 15 N -2.96 4.95 0.58 -0.08 1.01 -0.61 -4.81 121.20 119.27 2dkh s ILE 15 Ca 0.11 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 2dkh s ILE 15 Cb 0.14 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2dkh s ILE 15 CO 0.39 -0.74 1.03 0.00 0.00 0.00 0.00 174.94 175.63 2dkh s ALA 16 N 2.44 2.85 0.41 9.38 0.00 -0.32 -4.96 121.76 131.57 2dkh s ALA 16 Ca 0.13 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 2dkh s ALA 16 Cb -0.20 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 2dkh s ALA 16 CO 0.11 -0.65 1.21 -2.14 0.00 0.00 0.00 175.76 174.29 2dkh s PRO 17 N -4.18 3.96 0.14 0.00 0.02 -1.26 -4.72 135.00 128.96 2dkh s PRO 17 Ca 0.61 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 2dkh s PRO 17 Cb -0.14 -2.65 -0.09 0.00 0.02 0.00 0.00 34.50 31.65 2dkh s PRO 17 CO 0.37 -0.42 1.44 0.00 -0.33 0.00 0.00 177.00 178.06 2dkh s ALA 18 N -1.39 3.65 0.16 -1.55 0.00 -1.26 -4.37 121.76 116.99 2dkh s ALA 18 Ca 0.58 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 53.47 2dkh s ALA 18 Cb -0.33 -3.56 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 2dkh s ALA 18 CO 0.41 -0.67 0.88 0.45 0.00 0.00 0.00 175.76 176.83 2dkh s SER 19 N 1.04 7.48 0.06 0.00 0.15 0.03 -4.93 113.70 117.53 2dkh s SER 19 Ca 0.66 1.75 0.20 0.00 0.70 0.00 0.00 55.95 59.26 2dkh s SER 19 Cb -0.39 -2.55 0.82 0.00 -1.71 0.00 0.00 66.02 62.18 2dkh s SER 19 CO 0.31 0.09 1.62 -0.81 1.20 0.00 0.00 173.24 175.66 2dkh n PRO 20 N 2.07 0.05 0.22 5.44 -0.04 -1.26 -2.46 135.00 139.01 2dkh n PRO 20 Ca -0.02 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 2dkh n PRO 20 Cb 0.48 -1.58 0.30 0.00 -0.04 0.00 0.00 33.50 32.66 2dkh n PRO 20 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dkh h LEU 21 N 0.00 0.00 -8.47 1.53 3.38 -1.92 -3.42 115.31 106.41 2dkh h LEU 21 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 2dkh h LEU 21 Cb 0.35 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.87 2dkh h LEU 21 CO 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 178.44 178.03 2dkh s ALA 22 N -3.30 3.35 0.69 1.53 0.00 -1.03 -4.74 121.76 118.27 2dkh s ALA 22 Ca 0.06 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.23 2dkh s ALA 22 Cb 0.06 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.57 2dkh s ALA 22 CO 0.63 -1.27 1.25 -1.25 0.00 0.00 0.00 175.76 175.13 2dkh s PRO 23 N 1.61 2.30 0.66 0.00 0.04 -1.26 -4.88 135.00 133.47 2dkh s PRO 23 Ca 0.04 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 2dkh s PRO 23 Cb -0.19 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 2dkh s PRO 23 CO 0.08 -1.75 1.22 0.00 0.04 0.00 0.00 177.00 176.58 2dkh s ALA 24 N -1.69 2.36 0.26 8.56 0.00 -1.26 -4.93 121.76 125.06 2dkh s ALA 24 Ca 0.79 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 2dkh s ALA 24 Cb -0.33 -3.47 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 2dkh s ALA 24 CO 0.43 -1.50 1.57 -1.58 0.00 0.00 0.00 175.76 174.67 2dkh s HIS 25 N -1.74 2.88 0.14 0.00 2.46 -1.26 -5.01 115.29 112.75 2dkh s HIS 25 Ca 0.77 0.78 0.07 0.00 0.47 0.00 0.00 55.06 57.14 2dkh s HIS 25 Cb -0.31 -4.00 -0.04 0.00 -0.13 0.00 0.00 32.58 28.11 2dkh s HIS 25 CO 0.39 -3.41 -0.03 0.95 -2.47 0.00 0.00 174.74 170.17 2dkh s THR 26 N 0.27 3.68 0.21 0.89 -4.23 -1.26 -5.02 115.64 110.18 2dkh s THR 26 Ca 0.64 -1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 59.76 2dkh s THR 26 Cb -0.46 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 70.73 2dkh s THR 26 CO 0.43 -0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.26 2dkh h GLU 27 N 3.10 0.79 -6.54 3.99 4.22 -2.02 -3.42 114.58 114.70 2dkh h GLU 27 Ca -0.48 -0.05 -0.52 0.00 0.08 0.00 0.00 59.36 58.40 2dkh h GLU 27 Cb 1.19 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2dkh h GLU 27 CO 0.57 0.52 -0.08 0.00 -2.18 0.00 0.00 179.01 177.84 2dkh s ALA 28 N -6.11 3.55 0.19 2.92 0.00 -1.26 -5.05 121.76 116.01 2dkh s ALA 28 Ca -0.13 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 2dkh s ALA 28 Cb 0.16 -2.43 -0.08 0.00 0.00 0.00 0.00 23.12 20.76 2dkh s ALA 28 CO 0.77 0.29 1.24 0.08 0.00 0.00 0.00 175.76 178.13 2dkh s VAL 29 N -2.04 3.43 0.78 0.00 1.01 -1.26 -4.98 120.40 117.34 2dkh s VAL 29 Ca 0.47 1.20 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 2dkh s VAL 29 Cb -0.11 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2dkh s VAL 29 CO 0.27 0.19 0.90 -0.81 0.00 0.00 0.00 175.10 175.65 2dkh n PRO 30 N 2.47 0.25 0.14 2.72 -0.04 -1.26 -4.91 135.00 134.37 2dkh n PRO 30 Ca 0.05 0.14 0.01 0.00 -0.04 0.00 0.00 63.50 63.66 2dkh n PRO 30 Cb 0.44 -2.18 0.14 0.00 -0.04 0.00 0.00 33.50 31.86 2dkh n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dkh h SER 31 N -0.68 0.00 -3.86 3.54 4.64 -1.93 -3.44 113.55 111.82 2dkh h SER 31 Ca -0.46 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.65 2dkh h SER 31 Cb 1.32 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.14 2dkh h SER 31 CO 0.44 0.59 -0.62 -1.10 -0.87 0.00 0.00 176.83 175.27 2dkh s GLN 32 N -3.30 0.12 0.14 4.77 -0.21 -1.26 -1.16 119.66 118.76 2dkh s GLN 32 Ca 0.01 0.06 -0.09 0.00 0.02 0.00 0.00 55.36 55.36 2dkh s GLN 32 Cb 0.11 0.05 -0.01 0.00 1.00 0.00 0.00 33.01 34.16 2dkh s GLN 32 CO 0.75 -0.02 0.24 0.14 -2.12 0.00 0.00 175.29 174.28 2dkh s VAL 33 N -0.07 0.09 -0.08 1.09 -7.23 -0.22 -4.95 120.40 109.03 2dkh s VAL 33 Ca -0.01 -1.34 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 2dkh s VAL 33 Cb -0.01 -1.68 -0.27 0.00 0.56 0.00 0.00 36.38 34.98 2dkh s VAL 33 CO 0.00 -0.42 0.90 0.44 -0.31 0.00 0.00 175.10 175.71 2dkh h ASP 34 N 2.63 0.24 -3.39 4.85 3.45 -1.19 -2.57 116.42 120.43 2dkh h ASP 34 Ca -0.33 -0.91 -0.45 0.00 0.43 0.00 0.00 57.03 55.77 2dkh h ASP 34 Cb 1.22 -0.08 -0.35 0.00 -0.56 0.00 0.00 39.33 39.56 2dkh h ASP 34 CO 0.51 1.13 -0.79 -0.69 -1.57 0.00 0.00 179.24 177.84 2dkh s VAL 35 N -2.61 0.74 -0.22 -1.35 1.01 -0.80 -1.02 120.40 116.15 2dkh s VAL 35 Ca -0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2dkh s VAL 35 Cb -0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2dkh s VAL 35 CO 0.76 0.28 -0.04 -0.22 0.00 0.00 0.00 175.10 175.88 2dkh s LEU 36 N 1.06 2.92 -0.17 3.92 2.96 -0.43 -1.22 118.68 127.72 2dkh s LEU 36 Ca -0.08 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 2dkh s LEU 36 Cb -0.14 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2dkh s LEU 36 CO -0.01 -0.01 0.03 -0.63 -1.32 0.00 0.00 176.35 174.41 2dkh s ILE 37 N 1.43 4.44 -0.31 6.68 1.01 0.47 -0.90 121.20 134.02 2dkh s ILE 37 Ca 0.05 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2dkh s ILE 37 Cb -0.14 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2dkh s ILE 37 CO -0.03 0.47 0.13 -0.69 0.00 0.00 0.00 174.94 174.82 2dkh s VAL 38 N 0.40 4.31 0.00 2.92 1.01 -0.16 -1.17 120.40 127.71 2dkh s VAL 38 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2dkh s VAL 38 Cb -0.13 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.00 2dkh s VAL 38 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2dkh n GLY 39 N 4.93 2.37 2.64 4.51 0.00 0.56 -0.36 105.19 119.84 2dkh n GLY 39 Ca -0.14 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 2dkh n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkh n GLY 41 N -0.68 1.08 0.30 0.00 0.00 -1.26 -4.73 105.19 99.90 2dkh n GLY 41 Ca 0.56 -2.00 0.04 0.00 0.00 0.00 0.00 46.02 44.61 2dkh n GLY 41 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dkh h PRO 42 N 0.00 0.69 -0.17 1.61 0.11 -1.93 -0.75 132.00 131.56 2dkh h PRO 42 Ca -0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 2dkh h PRO 42 Cb 0.02 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2dkh h PRO 42 CO 0.00 0.45 0.02 0.00 -0.21 0.00 0.00 178.00 178.27 2dkh h ALA 43 N 1.48 0.22 -0.62 -0.75 0.00 -1.89 -1.78 119.26 115.92 2dkh h ALA 43 Ca 0.40 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2dkh h ALA 43 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2dkh h ALA 43 CO -0.28 -0.11 0.03 0.78 0.00 0.00 0.00 179.25 179.67 2dkh h GLY 44 N 0.06 1.15 1.99 0.00 0.00 -1.59 -2.20 103.07 102.48 2dkh h GLY 44 Ca 0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 47.33 46.43 2dkh h GLY 44 CO 0.00 0.76 -0.60 1.41 0.00 0.00 0.00 176.54 178.12 2dkh h LEU 45 N 0.97 0.02 -0.20 3.11 3.38 -1.14 0.78 115.31 122.23 2dkh h LEU 45 Ca 0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2dkh h LEU 45 Cb 0.53 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dkh h LEU 45 CO 0.03 0.61 -0.03 0.74 0.09 0.00 0.00 178.44 179.88 2dkh h THR 46 N 0.01 1.27 -0.44 0.22 2.02 -1.17 -0.05 112.91 114.77 2dkh h THR 46 Ca -0.01 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 2dkh h THR 46 Cb 1.07 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2dkh h THR 46 CO 0.08 0.29 0.11 0.25 0.37 0.00 0.00 175.52 176.62 2dkh h LEU 47 N 0.11 0.67 -0.63 2.58 5.85 -1.22 -1.66 115.31 121.01 2dkh h LEU 47 Ca 0.05 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2dkh h LEU 47 Cb 0.45 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2dkh h LEU 47 CO 0.02 0.73 0.27 0.00 -0.34 0.00 0.00 178.44 179.12 2dkh h ALA 48 N 0.97 0.82 -0.76 1.25 0.00 -0.78 -0.70 119.26 120.06 2dkh h ALA 48 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2dkh h ALA 48 Cb 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2dkh h ALA 48 CO 0.00 0.41 0.37 0.00 0.00 0.00 0.00 179.25 180.03 2dkh h ALA 49 N 1.11 1.21 -0.06 0.00 0.00 -0.85 0.68 119.26 121.36 2dkh h ALA 49 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2dkh h ALA 49 Cb 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2dkh h ALA 49 CO -0.02 0.60 -0.01 0.37 0.00 0.00 0.00 179.25 180.20 2dkh h GLN 50 N 1.08 0.10 0.00 0.00 5.75 -0.83 -3.13 115.11 118.09 2dkh h GLN 50 Ca 0.26 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 2dkh h GLN 50 Cb 0.10 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 2dkh h GLN 50 CO -0.03 0.41 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.42 2dkh h LEU 51 N -0.21 0.00 -2.23 -2.39 3.38 -0.86 -2.70 115.31 110.30 2dkh h LEU 51 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dkh h LEU 51 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dkh h LEU 51 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.60 2dkh h ALA 52 N 1.94 1.00 0.00 1.53 0.00 -0.80 -1.60 119.26 121.32 2dkh h ALA 52 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dkh h ALA 52 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dkh h ALA 52 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 2dkh n ALA 53 N -2.06 1.92 -3.77 0.00 0.00 -1.02 -3.52 120.51 112.06 2dkh n ALA 53 Ca -0.01 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2dkh n ALA 53 Cb 0.17 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 2dkh n ALA 53 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dkh s PHE 54 N -3.20 3.43 0.35 0.00 0.08 -0.60 -4.86 117.98 113.18 2dkh s PHE 54 Ca 0.07 -2.91 0.37 0.00 0.12 0.00 0.00 56.93 54.58 2dkh s PHE 54 Cb 0.11 -3.09 1.96 0.00 -0.57 0.00 0.00 43.02 41.43 2dkh s PHE 54 CO 0.46 -0.78 2.13 -1.00 -0.10 0.00 0.00 175.22 175.94 2dkh h PRO 55 N 6.63 0.00 0.00 0.24 0.13 -1.81 -1.51 132.00 135.69 2dkh h PRO 55 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2dkh h PRO 55 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2dkh h PRO 55 CO 0.73 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 2dkh n ASP 56 N -2.85 0.45 -4.62 1.44 3.85 -1.26 -3.77 116.55 109.79 2dkh n ASP 56 Ca -0.02 0.56 -0.35 0.00 -0.71 0.00 0.00 54.79 54.27 2dkh n ASP 56 Cb 0.09 -0.68 -0.10 0.00 -1.35 0.00 0.00 41.12 39.09 2dkh n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 2dkh s ILE 57 N -3.10 4.92 -0.57 2.12 1.01 -0.57 -5.05 121.20 119.96 2dkh s ILE 57 Ca 0.10 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 2dkh s ILE 57 Cb 0.13 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.40 2dkh s ILE 57 CO 0.49 0.41 0.94 -0.13 0.00 0.00 0.00 174.94 176.65 2dkh s ARG 58 N 0.73 3.29 -0.08 2.79 1.81 -1.26 -4.95 118.95 121.29 2dkh s ARG 58 Ca 0.05 -0.37 0.01 0.00 -1.72 0.00 0.00 55.73 53.70 2dkh s ARG 58 Cb -0.13 -4.08 -0.03 0.00 -0.45 0.00 0.00 34.95 30.26 2dkh s ARG 58 CO 0.02 -1.53 -0.08 0.99 -0.68 0.00 0.00 175.30 174.02 2dkh s THR 59 N 3.93 3.59 -0.05 0.02 2.01 -1.26 -0.64 115.64 123.24 2dkh s THR 59 Ca 0.29 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.79 2dkh s THR 59 Cb -0.13 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2dkh s THR 59 CO 0.18 0.58 -0.08 0.00 -0.69 0.00 0.00 174.62 174.61 2dkh s ILE 61 N 0.68 1.80 0.19 0.00 2.07 -1.26 -0.40 121.20 124.28 2dkh s ILE 61 Ca -0.11 -0.82 0.07 0.00 -1.41 0.00 0.00 60.65 58.38 2dkh s ILE 61 Cb -0.14 -1.61 -0.04 0.00 0.13 0.00 0.00 42.46 40.80 2dkh s ILE 61 CO 0.02 0.50 0.05 0.68 -1.91 0.00 0.00 174.94 174.27 2dkh s VAL 62 N 0.90 3.93 -0.15 4.00 -7.23 -0.32 -1.16 120.40 120.37 2dkh s VAL 62 Ca -0.07 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 2dkh s VAL 62 Cb -0.15 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 33.82 2dkh s VAL 62 CO -0.02 -0.17 0.37 -0.70 -0.31 0.00 0.00 175.10 174.28 2dkh s GLU 63 N -3.16 0.40 0.22 4.82 2.56 -0.98 -0.33 118.70 122.23 2dkh s GLU 63 Ca 0.29 0.60 0.07 0.00 0.00 0.00 0.00 54.97 55.93 2dkh s GLU 63 Cb -0.09 0.11 0.18 0.00 2.00 0.00 0.00 34.13 36.33 2dkh s GLU 63 CO 0.20 -0.09 1.51 -0.56 -0.56 0.00 0.00 175.26 175.76 2dkh h GLN 64 N 6.19 0.11 -7.19 4.30 3.07 -1.70 0.12 115.11 120.00 2dkh h GLN 64 Ca -0.31 -0.10 -0.53 0.00 0.09 0.00 0.00 58.65 57.80 2dkh h GLN 64 Cb 1.18 0.02 0.16 0.00 0.08 0.00 0.00 27.48 28.92 2dkh h GLN 64 CO 0.29 0.78 0.38 0.15 0.09 0.00 0.00 178.83 180.51 2dkh s LYS 65 N -3.46 2.05 0.00 0.06 1.02 -1.26 -3.65 119.74 114.49 2dkh s LYS 65 Ca -0.02 1.73 0.29 0.00 0.02 0.00 0.00 55.97 57.98 2dkh s LYS 65 Cb 0.12 -1.83 1.22 0.00 -0.52 0.00 0.00 37.83 36.82 2dkh s LYS 65 CO 0.79 -1.90 1.84 0.39 -0.92 0.00 0.00 175.35 175.56 2dkh n GLU 66 N -2.87 1.08 -3.98 1.68 1.02 -1.26 -1.03 120.64 115.28 2dkh n GLU 66 Ca 0.13 -0.47 0.02 0.00 -0.02 0.00 0.00 57.16 56.83 2dkh n GLU 66 Cb 0.50 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 2dkh n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dkh n GLY 67 N 1.21 0.26 3.76 0.62 0.00 -1.26 -4.64 105.19 105.14 2dkh n GLY 67 Ca 0.17 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2dkh n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkh s PRO 68 N -2.02 3.12 0.57 1.61 0.04 -1.26 -5.01 135.00 132.05 2dkh s PRO 68 Ca 0.29 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 2dkh s PRO 68 Cb -0.01 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2dkh s PRO 68 CO 0.00 -1.09 1.01 0.00 0.04 0.00 0.00 177.00 176.96 2dkh s MET 69 N -3.23 3.72 -0.06 4.56 0.23 -1.26 -4.99 119.30 118.27 2dkh s MET 69 Ca 0.75 0.87 0.09 0.00 -1.03 0.00 0.00 55.69 56.37 2dkh s MET 69 Cb -0.30 -2.10 -0.14 0.00 -1.53 0.00 0.00 34.83 30.76 2dkh s MET 69 CO 0.33 -0.46 0.11 0.39 -2.03 0.00 0.00 175.02 173.36 2dkh n GLU 70 N -2.22 1.58 -3.68 3.16 1.02 -1.26 -4.82 120.64 114.43 2dkh n GLU 70 Ca 0.06 -0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.97 2dkh n GLU 70 Cb 0.54 -1.25 -0.18 0.00 -0.02 0.00 0.00 31.44 30.54 2dkh n GLU 70 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dkh s LEU 71 N -4.30 0.21 0.41 -4.62 0.20 -1.26 -4.74 118.68 104.57 2dkh s LEU 71 Ca -0.04 0.11 0.08 0.00 0.69 0.00 0.00 54.13 54.96 2dkh s LEU 71 Cb 0.04 -0.08 0.00 0.00 -0.43 0.00 0.00 46.19 45.72 2dkh s LEU 71 CO 0.41 -0.24 0.51 -0.83 -0.29 0.00 0.00 176.35 175.91 2dkh s GLY 72 N 2.07 1.96 0.05 7.98 0.00 -1.26 -4.87 107.32 113.26 2dkh s GLY 72 Ca 0.03 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.04 2dkh s GLY 72 CO -0.03 -1.53 1.05 1.46 0.00 0.00 0.00 173.10 174.05 2dkh h GLN 73 N 0.76 0.20 -6.23 2.90 7.50 -1.99 -3.43 115.11 114.81 2dkh h GLN 73 Ca -0.41 -0.34 -0.51 0.00 0.50 0.00 0.00 58.65 57.89 2dkh h GLN 73 Cb 1.27 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.92 2dkh h GLN 73 CO 0.49 1.10 -0.35 0.00 -1.50 0.00 0.00 178.83 178.57 2dkh s ALA 74 N -2.65 3.85 0.00 3.87 0.00 -1.26 -5.00 121.76 120.57 2dkh s ALA 74 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2dkh s ALA 74 Cb 0.08 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.27 2dkh s ALA 74 CO 0.86 0.35 0.00 -0.40 0.00 0.00 0.00 175.76 176.57 2dkh n ASP 75 N -0.94 0.00 -4.69 0.00 5.68 -1.26 -1.63 116.55 113.71 2dkh n ASP 75 Ca -0.06 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.81 2dkh n ASP 75 Cb 0.55 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.50 2dkh n ASP 75 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2dkh s GLY 76 N 0.00 2.39 -0.29 6.12 0.00 -1.26 -0.14 107.32 114.14 2dkh s GLY 76 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.10 2dkh s GLY 76 CO 0.00 1.89 -0.04 -0.42 0.00 0.00 0.00 173.10 174.53 2dkh s ILE 77 N 1.94 2.60 0.67 0.90 1.01 0.39 -4.61 121.20 124.10 2dkh s ILE 77 Ca 0.48 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 2dkh s ILE 77 Cb -0.18 -2.54 -0.00 0.00 0.01 0.00 0.00 42.46 39.75 2dkh s ILE 77 CO 0.18 -0.11 1.06 0.00 0.00 0.00 0.00 174.94 176.07 2dkh s ALA 78 N 1.17 2.69 0.18 9.38 0.00 -1.26 -1.64 121.76 132.27 2dkh s ALA 78 Ca -0.06 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 2dkh s ALA 78 Cb -0.20 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 19.85 2dkh s ALA 78 CO -0.03 -1.12 1.65 0.00 0.00 0.00 0.00 175.76 176.26 2dkh h ARG 80 N -0.04 0.00 -0.37 0.00 1.12 -1.43 -1.66 114.38 112.00 2dkh h ARG 80 Ca 0.22 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.97 2dkh h ARG 80 Cb 0.37 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 2dkh h ARG 80 CO -0.48 0.18 -0.23 1.15 -3.11 0.00 0.00 179.97 177.48 2dkh h THR 81 N 0.00 1.28 -0.64 0.20 2.02 -1.36 -2.22 112.91 112.19 2dkh h THR 81 Ca -0.00 -1.38 0.02 0.00 0.77 0.00 0.00 66.41 65.82 2dkh h THR 81 Cb 0.33 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2dkh h THR 81 CO 0.02 0.46 0.42 0.24 0.37 0.00 0.00 175.52 177.03 2dkh h MET 82 N 0.61 0.80 -0.39 6.66 2.86 -0.26 0.53 114.93 125.74 2dkh h MET 82 Ca 0.08 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2dkh h MET 82 Cb 0.79 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2dkh h MET 82 CO 0.06 0.53 0.00 0.93 1.06 0.00 0.00 176.91 179.50 2dkh h GLU 83 N 0.83 0.62 -0.18 1.72 5.08 -0.91 -0.21 114.58 121.52 2dkh h GLU 83 Ca 0.24 -0.14 -0.20 0.00 -1.00 0.00 0.00 59.36 58.26 2dkh h GLU 83 Cb -0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2dkh h GLU 83 CO -0.06 0.64 -0.68 1.98 -1.00 0.00 0.00 179.01 179.89 2dkh h MET 84 N 0.59 0.72 -0.33 2.33 4.05 -0.65 -2.67 114.93 118.97 2dkh h MET 84 Ca 0.12 -0.53 -0.02 0.00 -0.28 0.00 0.00 59.70 58.99 2dkh h MET 84 Cb 0.37 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 2dkh h MET 84 CO 0.01 1.15 0.14 0.74 0.23 0.00 0.00 176.91 179.18 2dkh h PHE 85 N 0.52 0.45 -0.37 1.39 0.04 -0.35 0.07 116.94 118.69 2dkh h PHE 85 Ca -0.02 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 2dkh h PHE 85 Cb 1.28 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 2dkh h PHE 85 CO 0.07 0.36 -0.10 1.49 -0.60 0.00 0.00 178.31 179.53 2dkh h GLU 86 N 0.46 0.63 0.00 1.51 4.57 -0.90 -1.57 114.58 119.29 2dkh h GLU 86 Ca 0.12 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2dkh h GLU 86 Cb 0.09 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2dkh h GLU 86 CO -0.01 0.73 -0.18 0.00 -1.18 0.00 0.00 179.01 178.36 2dkh h ALA 87 N 1.31 1.42 -0.45 2.92 0.00 -0.66 -1.39 119.26 122.39 2dkh h ALA 87 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dkh h ALA 87 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dkh h ALA 87 CO 0.03 0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.70 2dkh n PHE 88 N -3.91 0.60 -2.59 0.00 3.01 -0.68 -0.95 117.46 112.94 2dkh n PHE 88 Ca -0.02 -0.30 -0.19 0.00 1.01 0.00 0.00 57.45 57.95 2dkh n PHE 88 Cb 0.27 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.75 2dkh n PHE 88 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2dkh n GLU 89 N 1.15 -2.68 -0.22 -1.08 1.02 -0.52 -4.90 120.64 113.42 2dkh n GLU 89 Ca 0.19 0.86 0.02 0.00 -0.02 0.00 0.00 57.16 58.20 2dkh n GLU 89 Cb 0.50 -5.43 0.02 0.00 -0.02 0.00 0.00 31.44 26.52 2dkh n GLU 89 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2dkh n PHE 90 N -4.17 0.00 -0.20 -0.32 -1.74 -0.70 -4.82 117.46 105.51 2dkh n PHE 90 Ca -0.17 -0.24 -0.04 0.00 -0.56 0.00 0.00 57.45 56.45 2dkh n PHE 90 Cb 0.64 -0.05 0.15 0.00 1.52 0.00 0.00 39.48 41.73 2dkh n PHE 90 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2dkh h ALA 91 N 0.00 1.17 -0.27 1.98 0.00 -1.85 -2.73 119.26 117.56 2dkh h ALA 91 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2dkh h ALA 91 Cb 1.10 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2dkh h ALA 91 CO 0.00 0.59 -0.11 0.38 0.00 0.00 0.00 179.25 180.12 2dkh h ASP 92 N 0.97 -0.37 -0.81 0.00 3.04 -1.91 0.18 116.42 117.52 2dkh h ASP 92 Ca 0.22 0.10 -0.04 0.00 -3.24 0.00 0.00 57.03 54.06 2dkh h ASP 92 Cb 0.23 0.21 -0.04 0.00 -1.04 0.00 0.00 39.33 38.70 2dkh h ASP 92 CO -0.01 -0.14 0.34 -1.28 -2.04 0.00 0.00 179.24 176.10 2dkh h SER 93 N -0.06 1.11 -0.49 4.15 0.87 -1.88 -2.34 113.55 114.91 2dkh h SER 93 Ca 0.14 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2dkh h SER 93 Cb 0.27 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 2dkh h SER 93 CO -0.31 0.97 0.19 0.40 -0.53 0.00 0.00 176.83 177.55 2dkh h ILE 94 N 1.18 1.21 -0.56 2.23 1.08 -1.11 -2.56 117.51 118.97 2dkh h ILE 94 Ca 0.27 -0.66 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 2dkh h ILE 94 Cb 0.20 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2dkh h ILE 94 CO -0.02 0.25 0.37 -0.07 -0.69 0.00 0.00 178.15 177.99 2dkh h LEU 95 N 0.65 0.59 -0.44 1.44 3.38 -0.60 0.11 115.31 120.44 2dkh h LEU 95 Ca 0.16 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2dkh h LEU 95 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2dkh h LEU 95 CO -0.01 0.41 -0.59 0.50 0.09 0.00 0.00 178.44 178.84 2dkh h LYS 96 N 0.69 0.00 0.00 1.13 1.63 -1.18 -3.36 116.57 115.48 2dkh h LYS 96 Ca 0.22 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.65 2dkh h LYS 96 Cb 0.03 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.59 2dkh h LYS 96 CO -0.06 0.59 -2.41 -1.91 -3.45 0.00 0.00 179.45 172.22 2dkh n GLU 97 N -3.45 0.68 -1.57 1.90 2.13 -0.94 -5.01 120.64 114.38 2dkh n GLU 97 Ca 0.00 0.04 -0.32 0.00 0.66 0.00 0.00 57.16 57.55 2dkh n GLU 97 Cb 0.69 -1.52 0.06 0.00 0.27 0.00 0.00 31.44 30.93 2dkh n GLU 97 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dkh s ALA 98 N -2.50 2.53 -0.33 4.31 0.00 0.33 -4.03 121.76 122.07 2dkh s ALA 98 Ca -0.17 0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 2dkh s ALA 98 Cb 0.07 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2dkh s ALA 98 CO 0.76 -1.34 0.57 0.00 0.00 0.00 0.00 175.76 175.75 2dkh s TRP 100 N 2.50 3.26 -0.42 0.00 0.52 -1.26 -0.14 118.94 123.40 2dkh s TRP 100 Ca 0.22 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.82 2dkh s TRP 100 Cb -0.15 -3.36 0.06 0.00 -1.15 0.00 0.00 33.47 28.87 2dkh s TRP 100 CO 0.13 -1.05 0.28 0.42 0.02 0.00 0.00 176.95 176.74 2dkh s ILE 101 N -1.32 4.54 -0.23 2.03 -1.09 -0.20 -4.91 121.20 120.01 2dkh s ILE 101 Ca 0.52 -1.19 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 2dkh s ILE 101 Cb -0.31 -3.70 -0.17 0.00 -1.58 0.00 0.00 42.46 36.70 2dkh s ILE 101 CO 0.40 -0.45 -0.09 0.59 -1.23 0.00 0.00 174.94 174.16 2dkh n ASN 102 N 5.00 1.98 -4.30 3.58 3.02 -1.26 -4.42 115.26 118.85 2dkh n ASN 102 Ca -0.11 0.20 -0.18 0.00 -0.03 0.00 0.00 54.58 54.46 2dkh n ASN 102 Cb 0.44 -0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 2dkh n ASN 102 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dkh s ASP 103 N -7.02 2.30 -0.08 6.41 -0.00 -1.26 -0.81 116.67 116.20 2dkh s ASP 103 Ca -0.33 -0.97 0.03 0.00 -0.00 0.00 0.00 52.55 51.29 2dkh s ASP 103 Cb 0.10 -0.10 0.01 0.00 -0.00 0.00 0.00 42.92 42.93 2dkh s ASP 103 CO 0.59 -0.19 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.69 2dkh s VAL 104 N -2.82 1.65 0.18 -1.27 1.01 -0.35 -3.62 120.40 115.18 2dkh s VAL 104 Ca 0.18 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2dkh s VAL 104 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2dkh s VAL 104 CO 0.05 0.47 -0.02 0.42 0.00 0.00 0.00 175.10 176.02 2dkh s THR 105 N 0.45 3.61 -0.07 3.92 -4.23 -0.68 -1.07 115.64 117.57 2dkh s THR 105 Ca -0.16 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 2dkh s THR 105 Cb -0.17 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 2dkh s THR 105 CO 0.06 -0.13 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.44 2dkh s PHE 106 N -1.77 2.16 0.03 3.99 0.08 0.08 -1.51 117.98 121.04 2dkh s PHE 106 Ca 0.27 -0.73 0.07 0.00 0.12 0.00 0.00 56.93 56.67 2dkh s PHE 106 Cb -0.09 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 2dkh s PHE 106 CO 0.18 -0.26 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.24 2dkh s TRP 107 N 0.12 1.90 0.24 0.36 0.52 -0.33 0.21 118.94 121.95 2dkh s TRP 107 Ca -0.09 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 55.61 2dkh s TRP 107 Cb -0.14 -1.16 -0.02 0.00 -1.15 0.00 0.00 33.47 31.00 2dkh s TRP 107 CO 0.05 0.06 0.29 0.15 0.02 0.00 0.00 176.95 177.52 2dkh s LYS 108 N -0.99 1.43 0.44 4.98 1.02 -0.73 -1.22 119.74 124.67 2dkh s LYS 108 Ca 0.08 -1.55 -0.25 0.00 0.02 0.00 0.00 55.97 54.27 2dkh s LYS 108 Cb -0.09 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.49 2dkh s LYS 108 CO 0.01 -0.53 1.33 -2.30 -0.92 0.00 0.00 175.35 172.94 2dkh n PRO 109 N -0.36 2.04 -2.64 -1.68 -0.02 -1.22 -0.59 135.00 130.53 2dkh n PRO 109 Ca 0.01 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 2dkh n PRO 109 Cb 0.64 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 2dkh n PRO 109 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2dkh s ASP 110 N -0.52 7.04 0.30 2.55 -1.08 0.83 -4.68 116.67 121.12 2dkh s ASP 110 Ca 0.61 1.30 0.05 0.00 -0.52 0.00 0.00 52.55 53.99 2dkh s ASP 110 Cb -0.48 -2.54 0.79 0.00 -1.46 0.00 0.00 42.92 39.22 2dkh s ASP 110 CO 0.57 -0.74 1.68 -0.65 0.52 0.00 0.00 175.17 176.55 2dkh h PRO 111 N 7.68 0.32 -0.64 4.34 0.11 -1.91 -1.82 132.00 140.08 2dkh h PRO 111 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2dkh h PRO 111 Cb 1.06 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2dkh h PRO 111 CO 1.00 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.41 2dkh n GLY 112 N -1.34 2.83 2.97 -0.55 0.00 -1.26 -4.87 105.19 102.97 2dkh n GLY 112 Ca 0.24 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 2dkh n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dkh s GLN 113 N -2.14 0.22 0.39 1.61 -0.21 -0.69 -5.15 119.66 113.70 2dkh s GLN 113 Ca 0.53 0.64 -0.27 0.00 0.02 0.00 0.00 55.36 56.27 2dkh s GLN 113 Cb 0.36 -0.31 -0.10 0.00 1.00 0.00 0.00 33.01 33.96 2dkh s GLN 113 CO 0.22 -0.43 1.43 -2.14 -2.12 0.00 0.00 175.29 172.25 2dkh s PRO 114 N 2.46 4.04 -1.37 2.91 0.02 -1.26 -3.62 135.00 138.18 2dkh s PRO 114 Ca 0.04 2.44 -0.03 0.00 0.02 0.00 0.00 61.00 63.48 2dkh s PRO 114 Cb -0.13 -2.90 0.02 0.00 0.02 0.00 0.00 34.50 31.50 2dkh s PRO 114 CO -0.11 -0.54 0.26 0.41 -0.33 0.00 0.00 177.00 176.69 2dkh n GLY 115 N 0.56 -0.50 2.97 0.52 0.00 -1.26 -4.98 105.19 102.49 2dkh n GLY 115 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2dkh n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dkh s ARG 116 N -5.41 0.30 0.14 1.61 0.52 -1.24 -4.56 118.95 110.31 2dkh s ARG 116 Ca 0.16 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2dkh s ARG 116 Cb -0.08 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 2dkh s ARG 116 CO 0.20 0.00 0.17 0.96 0.02 0.00 0.00 175.30 176.65 2dkh s ILE 117 N -0.92 4.76 0.04 1.52 -4.36 -1.22 -0.12 121.20 120.91 2dkh s ILE 117 Ca -0.08 -0.90 -0.05 0.00 -0.26 0.00 0.00 60.65 59.36 2dkh s ILE 117 Cb -0.07 -3.41 -0.01 0.00 1.25 0.00 0.00 42.46 40.22 2dkh s ILE 117 CO -0.00 -0.06 0.08 0.00 0.24 0.00 0.00 174.94 175.20 2dkh s ALA 118 N -1.68 -0.01 0.10 2.27 0.00 0.24 -4.73 121.76 117.94 2dkh s ALA 118 Ca 0.32 -0.59 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 2dkh s ALA 118 Cb -0.11 0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.18 2dkh s ALA 118 CO 0.25 -0.31 1.42 0.50 0.00 0.00 0.00 175.76 177.62 2dkh s ARG 119 N -2.59 4.30 -0.03 0.00 3.52 -1.26 -1.77 118.95 121.12 2dkh s ARG 119 Ca -0.05 2.09 0.08 0.00 -0.13 0.00 0.00 55.73 57.72 2dkh s ARG 119 Cb -0.01 -3.32 -0.13 0.00 -1.56 0.00 0.00 34.95 29.93 2dkh s ARG 119 CO -0.05 -0.49 0.15 1.58 -0.81 0.00 0.00 175.30 175.69 2dkh n HIS 120 N 4.28 0.00 -3.78 5.12 -0.00 0.13 -4.92 115.22 116.05 2dkh n HIS 120 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.80 2dkh n HIS 120 Cb 0.42 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.99 30.14 2dkh n HIS 120 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2dkh s GLY 121 N -3.28 -0.18 -0.22 1.57 0.00 -0.86 -4.97 107.32 99.39 2dkh s GLY 121 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 2dkh s GLY 121 CO 0.36 0.06 0.56 -1.60 0.00 0.00 0.00 173.10 172.48 2dkh s ARG 122 N -3.36 0.61 0.05 2.90 3.52 -1.26 -0.74 118.95 120.66 2dkh s ARG 122 Ca 0.12 0.90 0.03 0.00 -0.13 0.00 0.00 55.73 56.65 2dkh s ARG 122 Cb -0.02 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.53 2dkh s ARG 122 CO 0.04 -0.12 -0.09 0.14 -0.81 0.00 0.00 175.30 174.46 2dkh s VAL 123 N 0.92 0.61 -0.00 7.11 -7.23 -0.24 -4.99 120.40 116.58 2dkh s VAL 123 Ca -0.05 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 2dkh s VAL 123 Cb -0.05 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 2dkh s VAL 123 CO -0.08 -0.36 1.26 -1.58 -0.31 0.00 0.00 175.10 174.02 2dkh s GLN 124 N -1.60 4.36 0.16 4.82 0.74 -1.26 -1.20 119.66 125.66 2dkh s GLN 124 Ca -0.09 1.79 -0.15 0.00 0.05 0.00 0.00 55.36 56.96 2dkh s GLN 124 Cb -0.10 -3.49 0.03 0.00 1.10 0.00 0.00 33.01 30.55 2dkh s GLN 124 CO 0.01 -0.42 1.76 0.22 -0.55 0.00 0.00 175.29 176.30 2dkh h ASP 125 N 7.34 0.60 -3.42 6.67 3.58 -1.26 -3.41 116.42 126.52 2dkh h ASP 125 Ca -0.37 -0.10 -0.67 0.00 0.42 0.00 0.00 57.03 56.31 2dkh h ASP 125 Cb 1.18 -0.15 -0.33 0.00 1.72 0.00 0.00 39.33 41.75 2dkh h ASP 125 CO 0.87 0.52 -0.78 -0.89 -2.88 0.00 0.00 179.24 176.08 2dkh s THR 126 N -5.84 2.67 0.52 2.25 2.01 -1.26 -5.04 115.64 110.95 2dkh s THR 126 Ca -0.13 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.65 2dkh s THR 126 Cb 0.11 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 70.26 2dkh s THR 126 CO 0.75 0.29 1.27 -1.84 -0.69 0.00 0.00 174.62 174.40 2dkh n GLU 127 N 4.65 1.64 -1.66 4.92 0.28 -1.26 -4.88 120.64 124.33 2dkh n GLU 127 Ca -0.18 0.60 -0.43 0.00 -0.16 0.00 0.00 57.16 56.99 2dkh n GLU 127 Cb 0.48 -2.46 -0.01 0.00 1.43 0.00 0.00 31.44 30.89 2dkh n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dkh n ASP 128 N -0.61 2.14 0.00 -1.84 10.43 -1.26 -1.98 116.55 123.42 2dkh n ASP 128 Ca 0.10 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.63 2dkh n ASP 128 Cb 0.44 -1.41 0.00 0.00 1.84 0.00 0.00 41.12 41.98 2dkh n ASP 128 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2dkh n GLY 129 N 0.95 0.70 0.17 0.44 0.00 -1.26 -4.91 105.19 101.28 2dkh n GLY 129 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2dkh n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dkh h LEU 130 N 0.00 0.62 -7.30 0.99 5.85 -1.75 -3.47 115.31 110.24 2dkh h LEU 130 Ca 0.00 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 2dkh h LEU 130 Cb 0.03 -0.18 -0.16 0.00 0.37 0.00 0.00 40.66 40.72 2dkh h LEU 130 CO 0.00 1.09 -0.04 -0.55 -0.34 0.00 0.00 178.44 178.60 2dkh s SER 131 N -6.57 -0.34 0.00 1.25 0.15 -1.26 -5.02 113.70 101.91 2dkh s SER 131 Ca -0.13 0.03 0.29 0.00 0.70 0.00 0.00 55.95 56.84 2dkh s SER 131 Cb 0.06 0.46 1.37 0.00 -1.71 0.00 0.00 66.02 66.21 2dkh s SER 131 CO 0.82 -0.72 1.99 -1.84 1.20 0.00 0.00 173.24 174.69 2dkh n GLU 132 N 0.36 0.22 -4.30 5.44 0.00 -1.26 -4.79 120.64 116.30 2dkh n GLU 132 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.70 2dkh n GLU 132 Cb 0.61 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.44 2dkh n GLU 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2dkh s PHE 133 N -2.78 2.59 0.66 -1.84 0.08 -1.26 -5.14 117.98 110.29 2dkh s PHE 133 Ca 0.21 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 2dkh s PHE 133 Cb 0.19 -1.31 0.06 0.00 -0.57 0.00 0.00 43.02 41.39 2dkh s PHE 133 CO 0.49 0.46 0.95 -1.25 -0.10 0.00 0.00 175.22 175.76 2dkh s PRO 134 N -2.50 2.26 0.01 0.24 0.04 -1.26 -4.80 135.00 129.00 2dkh s PRO 134 Ca 0.22 -0.45 -0.23 0.00 0.04 0.00 0.00 61.00 60.58 2dkh s PRO 134 Cb -0.10 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2dkh s PRO 134 CO 0.13 -1.10 0.68 -1.58 0.04 0.00 0.00 177.00 175.17 2dkh s HIS 135 N -3.11 3.70 0.17 0.56 5.65 -1.26 -4.36 115.29 116.65 2dkh s HIS 135 Ca 0.60 1.33 0.00 0.00 0.25 0.00 0.00 55.06 57.24 2dkh s HIS 135 Cb -0.10 -2.72 -0.04 0.00 -1.18 0.00 0.00 32.58 28.53 2dkh s HIS 135 CO 0.43 0.30 0.06 0.14 -0.65 0.00 0.00 174.74 175.01 2dkh s VAL 136 N -0.06 0.34 -0.13 0.89 -7.23 -0.65 -1.03 120.40 112.53 2dkh s VAL 136 Ca 0.35 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 2dkh s VAL 136 Cb -0.19 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2dkh s VAL 136 CO 0.20 -0.33 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.81 2dkh s ILE 137 N -3.90 2.07 -0.25 -0.62 -1.09 0.80 -0.46 121.20 117.76 2dkh s ILE 137 Ca 0.28 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.56 2dkh s ILE 137 Cb 0.07 -1.81 0.07 0.00 -1.58 0.00 0.00 42.46 39.21 2dkh s ILE 137 CO 0.06 0.55 0.61 -0.22 -1.23 0.00 0.00 174.94 174.71 2dkh s LEU 138 N 0.64 -0.66 -0.41 2.97 2.96 0.80 -0.94 118.68 124.04 2dkh s LEU 138 Ca -0.11 1.32 -0.45 0.00 -0.22 0.00 0.00 54.13 54.67 2dkh s LEU 138 Cb -0.16 2.08 -0.19 0.00 0.50 0.00 0.00 46.19 48.41 2dkh s LEU 138 CO 0.02 -0.22 1.48 -3.20 -1.32 0.00 0.00 176.35 173.10 2dkh n ASN 139 N 4.14 1.00 -0.32 3.68 5.15 -1.26 -4.37 115.26 123.28 2dkh n ASN 139 Ca -0.20 1.15 0.19 0.00 -0.60 0.00 0.00 54.58 55.11 2dkh n ASN 139 Cb 0.58 -0.86 0.39 0.00 -0.53 0.00 0.00 39.78 39.36 2dkh n ASN 139 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2dkh h GLN 140 N 4.56 0.32 -0.65 1.20 4.15 -1.58 0.75 115.11 123.86 2dkh h GLN 140 Ca -0.44 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.07 2dkh h GLN 140 Cb 1.34 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 2dkh h GLN 140 CO 0.90 0.21 0.44 0.00 -1.93 0.00 0.00 178.83 178.45 2dkh h ALA 141 N 1.80 1.99 -0.01 3.38 0.00 -1.85 -0.16 119.26 124.41 2dkh h ALA 141 Ca 0.65 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.42 2dkh h ALA 141 Cb 1.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2dkh h ALA 141 CO -0.60 -0.14 -0.60 0.00 0.00 0.00 0.00 179.25 177.91 2dkh h ARG 142 N 0.46 0.02 -0.25 0.00 2.47 -1.16 0.14 114.38 116.06 2dkh h ARG 142 Ca 0.30 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.90 2dkh h ARG 142 Cb 0.58 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2dkh h ARG 142 CO -0.09 0.62 -0.25 0.28 0.56 0.00 0.00 179.97 181.08 2dkh h VAL 143 N 0.02 1.31 -0.81 2.04 2.07 -1.04 -2.32 116.25 117.52 2dkh h VAL 143 Ca -0.01 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.14 2dkh h VAL 143 Cb 1.07 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 2dkh h VAL 143 CO 0.08 0.45 0.50 0.45 0.02 0.00 0.00 177.57 179.07 2dkh h HIS 144 N 0.33 0.94 -0.86 1.57 3.86 -0.96 -1.76 115.15 118.26 2dkh h HIS 144 Ca 0.04 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 2dkh h HIS 144 Cb 0.81 -0.31 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 2dkh h HIS 144 CO 0.08 0.51 0.55 -0.44 0.86 0.00 0.00 177.93 179.48 2dkh h ASP 145 N 0.95 0.88 -0.45 2.45 3.32 -0.72 0.85 116.42 123.72 2dkh h ASP 145 Ca 0.34 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 2dkh h ASP 145 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2dkh h ASP 145 CO -0.14 0.59 -0.00 0.45 -1.72 0.00 0.00 179.24 178.41 2dkh h HIS 146 N 1.03 0.86 -0.67 4.55 3.86 -0.82 -1.16 115.15 122.79 2dkh h HIS 146 Ca 0.36 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 2dkh h HIS 146 Cb 0.09 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 2dkh h HIS 146 CO -0.03 0.84 0.18 1.88 0.86 0.00 0.00 177.93 181.66 2dkh h TYR 147 N 0.63 1.12 -0.47 2.45 0.99 -0.82 -0.67 116.97 120.20 2dkh h TYR 147 Ca 0.13 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 2dkh h TYR 147 Cb 0.50 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.89 2dkh h TYR 147 CO 0.04 0.91 0.02 -0.07 -0.00 0.00 0.00 178.16 179.06 2dkh h LEU 148 N 1.00 0.73 -0.39 3.88 3.38 -0.69 0.36 115.31 123.58 2dkh h LEU 148 Ca 0.21 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2dkh h LEU 148 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2dkh h LEU 148 CO -0.00 0.79 -0.28 -0.08 0.09 0.00 0.00 178.44 178.96 2dkh h GLU 149 N 0.72 0.88 -0.69 1.13 4.81 -0.92 -0.74 114.58 119.76 2dkh h GLU 149 Ca 0.15 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2dkh h GLU 149 Cb 0.41 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 2dkh h GLU 149 CO 0.02 1.07 0.34 -0.09 -0.73 0.00 0.00 179.01 179.62 2dkh h ARG 150 N 0.69 0.99 -0.37 1.92 9.65 -0.68 0.25 114.38 126.83 2dkh h ARG 150 Ca 0.08 -0.14 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 2dkh h ARG 150 Cb 0.86 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2dkh h ARG 150 CO 0.08 0.77 0.09 0.52 2.80 0.00 0.00 179.97 184.23 2dkh h MET 151 N 0.96 0.60 -0.60 0.20 2.86 -0.77 -1.70 114.93 116.48 2dkh h MET 151 Ca 0.24 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 2dkh h MET 151 Cb 0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2dkh h MET 151 CO -0.03 0.64 0.06 -0.09 1.06 0.00 0.00 176.91 178.55 2dkh h ARG 152 N 0.46 1.01 -0.01 1.72 2.43 -0.88 -1.76 114.38 117.35 2dkh h ARG 152 Ca 0.12 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2dkh h ARG 152 Cb 0.31 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2dkh h ARG 152 CO 0.00 0.97 -0.05 0.09 -1.51 0.00 0.00 179.97 179.47 2dkh n ASN 153 N -4.27 0.74 -4.76 -3.80 3.02 0.05 -4.19 115.26 102.06 2dkh n ASN 153 Ca 0.03 -1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 53.25 2dkh n ASN 153 Cb 0.30 -0.01 0.13 0.00 -0.61 0.00 0.00 39.78 39.59 2dkh n ASN 153 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dkh s SER 154 N -2.18 3.56 0.61 6.41 1.04 -0.65 -1.17 113.70 121.33 2dkh s SER 154 Ca 0.37 1.16 0.38 0.00 0.48 0.00 0.00 55.95 58.34 2dkh s SER 154 Cb 0.21 -1.81 2.00 0.00 0.10 0.00 0.00 66.02 66.52 2dkh s SER 154 CO 0.40 -2.54 2.25 -0.65 0.98 0.00 0.00 173.24 173.68 2dkh h PRO 155 N -1.48 0.00 0.00 4.02 0.11 -1.76 -1.93 132.00 130.95 2dkh h PRO 155 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dkh h PRO 155 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2dkh h PRO 155 CO 0.59 0.02 -0.08 0.77 -0.21 0.00 0.00 178.00 179.09 2dkh h SER 156 N 0.00 0.00 -6.31 -2.05 0.02 -1.85 0.13 113.55 103.49 2dkh h SER 156 Ca -0.00 -0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.47 2dkh h SER 156 Cb 0.13 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2dkh h SER 156 CO 0.00 0.00 -0.78 0.54 -1.14 0.00 0.00 176.83 175.45 2dkh n ARG 157 N -2.85 -5.11 -2.44 3.45 5.12 -0.73 -4.89 116.66 109.22 2dkh n ARG 157 Ca 0.04 0.57 -0.41 0.00 -1.93 0.00 0.00 57.85 56.12 2dkh n ARG 157 Cb 0.51 -5.35 -0.03 0.00 -1.16 0.00 0.00 32.46 26.42 2dkh n ARG 157 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2dkh s LEU 158 N -7.16 4.43 0.01 0.55 2.96 -0.68 -4.76 118.68 114.03 2dkh s LEU 158 Ca 0.52 2.11 -0.07 0.00 -0.22 0.00 0.00 54.13 56.47 2dkh s LEU 158 Cb -0.26 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.83 2dkh s LEU 158 CO 0.84 -0.35 0.12 -1.83 -1.32 0.00 0.00 176.35 173.80 2dkh s GLU 159 N 0.17 0.48 0.74 1.98 -1.05 -1.26 -2.92 118.70 116.83 2dkh s GLU 159 Ca 0.54 -0.44 -0.13 0.00 -0.15 0.00 0.00 54.97 54.79 2dkh s GLU 159 Cb -0.30 0.20 0.04 0.00 -0.44 0.00 0.00 34.13 33.63 2dkh s GLU 159 CO 0.33 -0.11 1.12 -2.14 0.95 0.00 0.00 175.26 175.41 2dkh s PRO 160 N -1.47 2.30 -0.46 -4.83 0.02 -1.26 -4.72 135.00 124.58 2dkh s PRO 160 Ca -0.14 1.36 -0.09 0.00 0.02 0.00 0.00 61.00 62.14 2dkh s PRO 160 Cb -0.07 -1.89 0.11 0.00 0.02 0.00 0.00 34.50 32.67 2dkh s PRO 160 CO 0.01 -1.63 0.32 -1.01 -0.33 0.00 0.00 177.00 174.35 2dkh s HIS 161 N -2.57 3.42 0.78 6.54 3.76 -0.31 -5.02 115.29 121.89 2dkh s HIS 161 Ca 0.65 -1.85 -0.10 0.00 -0.15 0.00 0.00 55.06 53.61 2dkh s HIS 161 Cb -0.20 -3.37 0.08 0.00 1.11 0.00 0.00 32.58 30.20 2dkh s HIS 161 CO 0.50 -0.96 1.13 0.71 -0.85 0.00 0.00 174.74 175.26 2dkh s TYR 162 N 1.36 2.85 -1.33 1.40 2.02 -1.26 -2.33 117.35 120.06 2dkh s TYR 162 Ca 0.05 0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 57.29 2dkh s TYR 162 Cb -0.25 -3.42 0.01 0.00 -0.40 0.00 0.00 41.96 37.90 2dkh s TYR 162 CO -0.00 -1.70 1.11 0.00 -1.57 0.00 0.00 175.55 173.39 2dkh n ALA 163 N -3.20 -1.52 -3.81 3.71 0.00 0.19 -4.84 120.51 111.04 2dkh n ALA 163 Ca 0.08 0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.52 2dkh n ALA 163 Cb 0.61 -4.52 -0.17 0.00 0.00 0.00 0.00 19.45 15.37 2dkh n ALA 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dkh s ARG 164 N -6.07 1.32 -0.27 0.00 3.00 0.05 -0.29 118.95 116.68 2dkh s ARG 164 Ca 0.42 -0.19 -0.06 0.00 0.00 0.00 0.00 55.73 55.89 2dkh s ARG 164 Cb -0.19 -1.39 -0.00 0.00 0.00 0.00 0.00 34.95 33.37 2dkh s ARG 164 CO 0.74 -0.23 0.05 0.50 0.00 0.00 0.00 175.30 176.37 2dkh s ARG 165 N 1.58 3.26 0.01 3.54 3.52 0.27 -1.88 118.95 129.24 2dkh s ARG 165 Ca 0.01 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 2dkh s ARG 165 Cb -0.13 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.92 2dkh s ARG 165 CO -0.06 -0.34 1.39 0.08 -0.81 0.00 0.00 175.30 175.56 2dkh s VAL 166 N 1.52 3.71 -0.22 7.11 1.01 -1.26 -1.06 120.40 131.20 2dkh s VAL 166 Ca 0.04 1.11 0.10 0.00 0.00 0.00 0.00 61.98 63.23 2dkh s VAL 166 Cb -0.16 -3.71 -0.20 0.00 0.00 0.00 0.00 36.38 32.30 2dkh s VAL 166 CO 0.01 0.01 -0.06 0.18 0.00 0.00 0.00 175.10 175.24 2dkh n LEU 167 N 5.22 1.32 -3.63 3.92 4.77 0.49 -4.85 117.00 124.25 2dkh n LEU 167 Ca 0.13 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2dkh n LEU 167 Cb 0.44 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2dkh n LEU 167 CO 0.58 0.67 0.18 -0.62 -1.33 0.00 0.00 177.39 176.88 2dkh s ASP 168 N -5.83 -0.29 -0.04 -1.43 3.68 -1.15 -4.99 116.67 106.62 2dkh s ASP 168 Ca -0.20 -0.14 -0.02 0.00 2.13 0.00 0.00 52.55 54.33 2dkh s ASP 168 Cb 0.07 0.46 0.03 0.00 -1.45 0.00 0.00 42.92 42.04 2dkh s ASP 168 CO 0.69 -0.78 0.06 -0.69 0.13 0.00 0.00 175.17 174.59 2dkh s VAL 169 N -3.19 -0.11 -0.05 1.11 1.01 -1.26 -1.44 120.40 116.48 2dkh s VAL 169 Ca -0.01 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2dkh s VAL 169 Cb 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.25 2dkh s VAL 169 CO -0.08 0.15 -0.11 -0.54 0.00 0.00 0.00 175.10 174.53 2dkh s LYS 170 N 1.86 1.35 -0.23 2.72 -0.14 -0.32 -4.73 119.74 120.25 2dkh s LYS 170 Ca 0.01 -0.35 -0.09 0.00 -1.36 0.00 0.00 55.97 54.17 2dkh s LYS 170 Cb -0.12 -1.18 -0.04 0.00 -1.68 0.00 0.00 37.83 34.80 2dkh s LYS 170 CO -0.03 0.06 0.12 0.08 -0.76 0.00 0.00 175.35 174.82 2dkh s VAL 171 N 0.50 5.01 -0.70 3.17 1.01 -1.26 -0.12 120.40 128.00 2dkh s VAL 171 Ca -0.10 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 2dkh s VAL 171 Cb -0.13 -3.32 0.17 0.00 0.00 0.00 0.00 36.38 33.09 2dkh s VAL 171 CO 0.02 0.36 0.69 -0.62 0.00 0.00 0.00 175.10 175.55 2dkh s ASP 172 N 1.08 6.48 0.00 3.32 3.68 0.71 -4.91 116.67 127.03 2dkh s ASP 172 Ca 0.06 -2.17 0.07 0.00 2.13 0.00 0.00 52.55 52.64 2dkh s ASP 172 Cb -0.14 -2.24 0.42 0.00 -1.45 0.00 0.00 42.92 39.52 2dkh s ASP 172 CO 0.04 -0.78 0.88 1.41 0.13 0.00 0.00 175.17 176.86 2dkh n HIS 173 N 4.91 0.00 0.20 -5.34 8.25 -1.26 -1.17 115.22 120.81 2dkh n HIS 173 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2dkh n HIS 173 Cb 0.44 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.60 2dkh n HIS 173 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dkh n GLY 174 N -0.56 0.40 3.78 -1.41 0.00 -1.26 -5.02 105.19 101.12 2dkh n GLY 174 Ca 0.05 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2dkh n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkh s ALA 175 N -0.79 3.05 0.09 4.61 0.00 -0.32 -4.97 121.76 123.43 2dkh s ALA 175 Ca 0.12 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 2dkh s ALA 175 Cb 0.08 -3.29 -0.22 0.00 0.00 0.00 0.00 23.12 19.68 2dkh s ALA 175 CO 0.11 -0.30 1.18 0.00 0.00 0.00 0.00 175.76 176.74 2dkh h ALA 176 N 2.34 0.15 -2.85 0.00 0.00 -1.95 -3.46 119.26 113.48 2dkh h ALA 176 Ca -0.49 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 53.59 2dkh h ALA 176 Cb 1.22 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2dkh h ALA 176 CO 0.62 0.84 -0.05 0.34 0.00 0.00 0.00 179.25 180.99 2dkh s ASP 177 N -7.22 -0.14 -0.99 0.00 3.68 -1.26 -4.95 116.67 105.79 2dkh s ASP 177 Ca -0.06 -0.79 -0.27 0.00 2.13 0.00 0.00 52.55 53.56 2dkh s ASP 177 Cb 0.07 0.60 0.04 0.00 -1.45 0.00 0.00 42.92 42.18 2dkh s ASP 177 CO 0.89 -1.14 0.51 -1.22 0.13 0.00 0.00 175.17 174.34 2dkh n TYR 178 N -0.38 -1.08 0.51 -5.34 4.02 -1.26 -4.80 117.16 108.83 2dkh n TYR 178 Ca -0.04 0.06 0.09 0.00 -0.01 0.00 0.00 57.90 57.99 2dkh n TYR 178 Cb 0.62 -2.20 0.37 0.00 -0.02 0.00 0.00 39.34 38.11 2dkh n TYR 178 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2dkh n PRO 179 N -4.26 0.05 -3.70 -0.72 -0.04 -1.18 -4.28 135.00 120.87 2dkh n PRO 179 Ca -0.10 0.27 -0.36 0.00 -0.04 0.00 0.00 63.50 63.27 2dkh n PRO 179 Cb 0.45 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 2dkh n PRO 179 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dkh s VAL 180 N -3.07 5.25 -0.22 0.52 1.01 -0.66 -0.21 120.40 123.02 2dkh s VAL 180 Ca 0.07 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 2dkh s VAL 180 Cb 0.10 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2dkh s VAL 180 CO 0.32 0.36 0.06 -0.89 0.00 0.00 0.00 175.10 174.94 2dkh s THR 181 N 1.03 4.42 -0.12 3.92 2.01 0.83 -0.36 115.64 127.37 2dkh s THR 181 Ca 0.07 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 2dkh s THR 181 Cb -0.13 -3.03 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 2dkh s THR 181 CO 0.04 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 2dkh s VAL 182 N 1.15 3.18 -0.18 3.82 1.01 0.69 -1.17 120.40 128.91 2dkh s VAL 182 Ca 0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2dkh s VAL 182 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2dkh s VAL 182 CO 0.03 0.53 0.02 -0.89 0.00 0.00 0.00 175.10 174.79 2dkh s THR 183 N 0.21 4.31 0.09 3.92 2.01 -0.52 -0.91 115.64 124.75 2dkh s THR 183 Ca -0.07 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 61.79 2dkh s THR 183 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2dkh s THR 183 CO 0.05 0.46 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.50 2dkh s LEU 184 N 0.55 2.29 -0.10 4.42 1.02 0.87 -0.38 118.68 127.35 2dkh s LEU 184 Ca 0.00 -0.66 0.03 0.00 0.02 0.00 0.00 54.13 53.52 2dkh s LEU 184 Cb -0.14 -0.71 -0.01 0.00 0.02 0.00 0.00 46.19 45.36 2dkh s LEU 184 CO 0.02 -0.01 -0.20 -0.70 0.02 0.00 0.00 176.35 175.48 2dkh s GLU 185 N -1.87 3.07 0.05 1.70 2.12 -0.23 -0.19 118.70 123.36 2dkh s GLU 185 Ca 0.03 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 2dkh s GLU 185 Cb -0.10 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 2dkh s GLU 185 CO 0.03 0.25 1.00 1.03 -0.54 0.00 0.00 175.26 177.03 2dkh s ARG 186 N 0.21 4.59 0.05 4.30 0.52 0.49 -0.57 118.95 128.54 2dkh s ARG 186 Ca -0.12 1.48 0.22 0.00 -0.52 0.00 0.00 55.73 56.79 2dkh s ARG 186 Cb -0.16 -3.42 -0.22 0.00 0.52 0.00 0.00 34.95 31.68 2dkh s ARG 186 CO 0.07 0.02 0.68 0.00 0.02 0.00 0.00 175.30 176.08 2dkh s ASP 188 N -4.85 5.58 0.26 0.00 3.84 -1.26 -4.70 116.67 115.53 2dkh s ASP 188 Ca -0.05 2.09 -0.02 0.00 -0.00 0.00 0.00 52.55 54.57 2dkh s ASP 188 Cb 0.12 -2.57 0.49 0.00 -1.38 0.00 0.00 42.92 39.58 2dkh s ASP 188 CO 0.87 -1.31 1.77 0.00 -0.00 0.00 0.00 175.17 176.49 2dkh h ALA 189 N 0.84 1.22 -0.17 2.11 0.00 -1.97 0.82 119.26 122.11 2dkh h ALA 189 Ca -0.49 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2dkh h ALA 189 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dkh h ALA 189 CO 0.56 -0.06 0.13 0.00 0.00 0.00 0.00 179.25 179.87 2dkh h ALA 190 N 1.53 2.12 0.00 0.00 0.00 -1.99 -2.90 119.26 118.03 2dkh h ALA 190 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2dkh h ALA 190 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dkh h ALA 190 CO -0.34 -0.21 -0.13 0.72 0.00 0.00 0.00 179.25 179.29 2dkh n HIS 191 N -4.43 0.00 -1.64 0.00 8.25 -0.70 -5.08 115.22 111.62 2dkh n HIS 191 Ca 0.01 -0.44 -0.64 0.00 -0.26 0.00 0.00 57.72 56.40 2dkh n HIS 191 Cb 0.26 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 2dkh n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dkh n ALA 192 N -0.58 -1.85 0.00 -1.41 0.00 0.28 -0.32 120.51 116.62 2dkh n ALA 192 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2dkh n ALA 192 Cb 0.54 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2dkh n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkh n GLY 193 N 3.30 2.39 3.75 0.00 0.00 -0.91 -5.01 105.19 108.71 2dkh n GLY 193 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2dkh n GLY 193 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dkh s GLN 194 N -0.37 4.23 -0.15 1.61 -0.21 0.56 -4.75 119.66 120.58 2dkh s GLN 194 Ca 0.00 2.38 -0.07 0.00 0.02 0.00 0.00 55.36 57.69 2dkh s GLN 194 Cb 0.00 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 2dkh s GLN 194 CO 0.00 -0.46 0.09 0.42 -2.12 0.00 0.00 175.29 173.23 2dkh s ILE 195 N -0.23 5.08 0.07 1.08 -1.09 -1.26 -0.38 121.20 124.47 2dkh s ILE 195 Ca 0.59 0.06 0.09 0.00 -2.23 0.00 0.00 60.65 59.15 2dkh s ILE 195 Cb -0.43 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2dkh s ILE 195 CO 0.47 0.53 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.85 2dkh s GLU 196 N -0.25 1.52 -0.05 2.79 2.02 0.73 -4.98 118.70 120.48 2dkh s GLU 196 Ca 0.09 -1.13 0.03 0.00 0.02 0.00 0.00 54.97 53.99 2dkh s GLU 196 Cb -0.12 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2dkh s GLU 196 CO 0.01 0.44 -0.14 0.99 0.02 0.00 0.00 175.26 176.58 2dkh s THR 197 N -0.90 1.25 -0.04 3.63 2.01 -1.26 -0.09 115.64 120.24 2dkh s THR 197 Ca 0.11 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2dkh s THR 197 Cb -0.10 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.31 2dkh s THR 197 CO 0.03 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 2dkh s VAL 198 N 0.27 1.09 -0.19 3.82 1.01 -0.08 -4.73 120.40 121.58 2dkh s VAL 198 Ca -0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2dkh s VAL 198 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2dkh s VAL 198 CO 0.03 0.33 0.09 -1.10 0.00 0.00 0.00 175.10 174.44 2dkh s GLN 199 N 0.17 4.04 0.10 2.72 -1.52 -0.31 -0.22 119.66 124.63 2dkh s GLN 199 Ca -0.04 -0.30 0.03 0.00 -1.95 0.00 0.00 55.36 53.09 2dkh s GLN 199 Cb -0.10 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 2dkh s GLN 199 CO 0.01 0.25 -0.08 0.00 -0.25 0.00 0.00 175.29 175.23 2dkh s ALA 200 N 0.45 1.01 0.06 6.09 0.00 0.52 -1.05 121.76 128.84 2dkh s ALA 200 Ca 0.05 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 2dkh s ALA 200 Cb -0.12 0.09 -0.31 0.00 0.00 0.00 0.00 23.12 22.78 2dkh s ALA 200 CO -0.00 -0.13 1.09 0.00 0.00 0.00 0.00 175.76 176.72 2dkh h ARG 201 N 3.33 0.38 -3.58 0.00 3.08 -1.16 -1.74 114.38 114.69 2dkh h ARG 201 Ca -0.36 -0.64 -0.18 0.00 0.07 0.00 0.00 59.98 58.87 2dkh h ARG 201 Cb 1.18 0.24 -0.24 0.00 0.08 0.00 0.00 29.97 31.23 2dkh h ARG 201 CO 0.58 1.31 -0.58 0.71 -1.07 0.00 0.00 179.97 180.91 2dkh s TYR 202 N -2.65 0.01 -0.03 3.04 2.02 -0.19 -4.73 117.35 114.82 2dkh s TYR 202 Ca -0.06 -0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.66 2dkh s TYR 202 Cb 0.06 -0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.58 2dkh s TYR 202 CO 0.91 -0.16 -0.13 0.08 -1.57 0.00 0.00 175.55 174.68 2dkh s VAL 203 N -0.73 1.06 -0.16 0.71 1.01 -0.87 -1.32 120.40 120.10 2dkh s VAL 203 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2dkh s VAL 203 Cb -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2dkh s VAL 203 CO 0.00 0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.61 2dkh s VAL 204 N 0.10 1.53 -0.54 2.92 1.01 -0.08 -1.31 120.40 124.03 2dkh s VAL 204 Ca -0.03 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.00 2dkh s VAL 204 Cb -0.10 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.82 2dkh s VAL 204 CO 0.01 0.36 0.93 -0.83 0.00 0.00 0.00 175.10 175.57 2dkh s GLY 205 N 1.49 1.43 -0.36 4.51 0.00 0.11 -0.99 107.32 113.50 2dkh s GLY 205 Ca 0.03 -1.22 0.05 0.00 0.00 0.00 0.00 44.72 43.59 2dkh s GLY 205 CO -0.10 2.03 1.36 0.00 0.00 0.00 0.00 173.10 176.39 2dkh n ASP 207 N -0.78 3.93 -0.36 0.00 5.75 -0.88 -4.35 116.55 119.86 2dkh n ASP 207 Ca 0.47 -2.86 0.04 0.00 -0.01 0.00 0.00 54.79 52.42 2dkh n ASP 207 Cb 0.91 -0.68 -0.01 0.00 -1.03 0.00 0.00 41.12 40.31 2dkh n ASP 207 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dkh n GLY 208 N -0.07 -2.04 0.40 6.12 0.00 -1.26 -3.73 105.19 104.61 2dkh n GLY 208 Ca 0.30 -1.39 0.24 0.00 0.00 0.00 0.00 46.02 45.16 2dkh n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkh h ALA 209 N -0.34 2.21 -0.82 4.61 0.00 -1.91 0.81 119.26 123.82 2dkh h ALA 209 Ca 0.01 0.09 -0.44 0.00 0.00 0.00 0.00 54.91 54.56 2dkh h ALA 209 Cb 0.24 0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.83 2dkh h ALA 209 CO 0.00 -0.67 0.45 0.54 0.00 0.00 0.00 179.25 179.57 2dkh n ARG 210 N -4.70 2.18 -1.65 0.00 1.74 -1.26 -4.84 116.66 108.12 2dkh n ARG 210 Ca 0.27 -3.09 -0.62 0.00 -0.77 0.00 0.00 57.85 53.64 2dkh n ARG 210 Cb 0.94 -2.09 -0.09 0.00 -1.02 0.00 0.00 32.46 30.20 2dkh n ARG 210 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dkh n SER 211 N -1.13 1.10 0.14 0.55 2.88 0.27 -4.88 113.62 112.55 2dkh n SER 211 Ca 0.53 1.15 0.02 0.00 -1.33 0.00 0.00 58.87 59.24 2dkh n SER 211 Cb 1.44 -0.97 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2dkh n SER 211 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2dkh h ASN 212 N 4.75 0.00 -0.32 -3.46 2.35 -1.89 -3.07 115.58 113.94 2dkh h ASN 212 Ca -0.47 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.20 2dkh h ASN 212 Cb 1.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 2dkh h ASN 212 CO 0.86 0.55 -0.10 0.58 -1.65 0.00 0.00 177.43 177.67 2dkh h VAL 213 N 0.00 1.28 -0.40 2.81 2.07 -1.90 0.40 116.25 120.51 2dkh h VAL 213 Ca -0.01 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.37 2dkh h VAL 213 Cb 1.38 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 2dkh h VAL 213 CO 0.07 0.38 0.23 -0.09 0.02 0.00 0.00 177.57 178.18 2dkh h ARG 214 N 0.41 0.45 -0.72 1.57 2.43 -1.90 -1.93 114.38 114.70 2dkh h ARG 214 Ca 0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2dkh h ARG 214 Cb 0.60 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2dkh h ARG 214 CO 0.04 0.30 0.28 0.00 -1.51 0.00 0.00 179.97 179.08 2dkh h ARG 215 N 0.47 1.07 -0.46 0.20 3.08 -1.42 -1.90 114.38 115.41 2dkh h ARG 215 Ca 0.16 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2dkh h ARG 215 Cb 0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2dkh h ARG 215 CO -0.08 0.87 0.19 0.00 -1.07 0.00 0.00 179.97 179.88 2dkh h ALA 216 N 1.26 1.46 -0.53 0.04 0.00 -0.19 -2.19 119.26 119.12 2dkh h ALA 216 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dkh h ALA 216 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dkh h ALA 216 CO -0.02 0.41 0.00 0.44 0.00 0.00 0.00 179.25 180.08 2dkh n ILE 217 N -4.36 1.89 -1.34 0.00 -5.35 -0.80 -4.88 119.36 104.51 2dkh n ILE 217 Ca 0.03 -1.08 -0.12 0.00 -0.27 0.00 0.00 62.75 61.32 2dkh n ILE 217 Cb 0.15 -0.10 -0.05 0.00 -1.74 0.00 0.00 39.64 37.90 2dkh n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dkh n GLY 218 N 0.81 1.24 3.89 3.28 0.00 -0.83 -4.94 105.19 108.64 2dkh n GLY 218 Ca 0.23 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2dkh n GLY 218 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dkh s ARG 219 N -2.87 3.68 -0.05 1.61 1.81 -0.75 -5.02 118.95 117.36 2dkh s ARG 219 Ca 0.00 0.24 -0.05 0.00 -1.72 0.00 0.00 55.73 54.20 2dkh s ARG 219 Cb 0.00 -2.49 0.01 0.00 -0.45 0.00 0.00 34.95 32.03 2dkh s ARG 219 CO 0.00 0.03 0.14 1.14 -0.68 0.00 0.00 175.30 175.93 2dkh s GLN 220 N -3.89 0.18 -0.26 3.54 -2.07 -1.26 -4.35 119.66 111.55 2dkh s GLN 220 Ca 0.48 0.16 -0.29 0.00 -1.82 0.00 0.00 55.36 53.88 2dkh s GLN 220 Cb -0.10 0.09 -0.01 0.00 -1.09 0.00 0.00 33.01 31.89 2dkh s GLN 220 CO 0.33 -0.02 1.41 -0.51 -1.32 0.00 0.00 175.29 175.17 2dkh s LEU 221 N -0.01 3.92 -0.18 2.60 1.43 -1.26 -4.34 118.68 120.84 2dkh s LEU 221 Ca -0.01 1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 54.45 2dkh s LEU 221 Cb -0.01 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2dkh s LEU 221 CO 0.00 -1.11 -0.01 -0.69 0.23 0.00 0.00 176.35 174.77 2dkh s VAL 222 N 4.56 3.99 -0.65 -1.59 1.01 -0.46 -4.75 120.40 122.52 2dkh s VAL 222 Ca 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2dkh s VAL 222 Cb -0.20 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2dkh s VAL 222 CO 0.24 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.41 2dkh n GLY 223 N 3.86 -0.64 3.95 4.51 0.00 -1.26 -1.38 105.19 114.24 2dkh n GLY 223 Ca -0.17 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2dkh n GLY 223 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dkh s ASP 224 N -4.00 6.27 0.99 1.61 1.01 -0.82 -4.96 116.67 116.77 2dkh s ASP 224 Ca 0.00 0.08 -0.12 0.00 0.71 0.00 0.00 52.55 53.22 2dkh s ASP 224 Cb 0.00 -1.84 0.19 0.00 1.01 0.00 0.00 42.92 42.27 2dkh s ASP 224 CO 0.00 -0.03 1.08 -0.94 0.21 0.00 0.00 175.17 175.49 2dkh s SER 225 N -3.73 2.54 -0.67 0.27 1.04 -1.26 -3.39 113.70 108.50 2dkh s SER 225 Ca 0.34 1.52 -0.35 0.00 0.48 0.00 0.00 55.95 57.94 2dkh s SER 225 Cb -0.10 -2.19 -0.17 0.00 0.10 0.00 0.00 66.02 63.66 2dkh s SER 225 CO 0.29 -3.23 2.41 0.00 0.98 0.00 0.00 173.24 173.68 2dkh n ALA 226 N -4.27 0.48 -0.22 5.32 0.00 -1.26 -4.51 120.51 116.05 2dkh n ALA 226 Ca 0.06 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.37 2dkh n ALA 226 Cb 0.55 -2.38 0.31 0.00 0.00 0.00 0.00 19.45 17.92 2dkh n ALA 226 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2dkh h ASN 227 N 12.12 0.76 -5.20 0.00 -0.00 -1.86 -3.46 115.58 117.94 2dkh h ASN 227 Ca -0.13 -0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.10 2dkh h ASN 227 Cb 1.34 -0.17 -0.06 0.00 -0.00 0.00 0.00 38.32 39.43 2dkh h ASN 227 CO 1.21 0.50 0.02 0.00 -0.00 0.00 0.00 177.43 179.16 2dkh s GLN 228 N -5.76 1.83 -0.04 6.67 1.03 -1.26 -5.15 119.66 116.98 2dkh s GLN 228 Ca -0.10 -1.36 0.02 0.00 0.04 0.00 0.00 55.36 53.95 2dkh s GLN 228 Cb 0.19 0.53 0.01 0.00 0.03 0.00 0.00 33.01 33.77 2dkh s GLN 228 CO 0.78 -0.80 -0.07 0.00 -2.54 0.00 0.00 175.29 172.65 2dkh s ALA 229 N -3.39 0.83 -0.08 2.60 0.00 -1.26 -4.11 121.76 116.36 2dkh s ALA 229 Ca 0.21 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.01 2dkh s ALA 229 Cb -0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 2dkh s ALA 229 CO 0.12 0.06 -0.24 -1.58 0.00 0.00 0.00 175.76 174.12 2dkh s TRP 230 N 0.62 2.44 -0.04 0.00 0.52 0.12 -1.14 118.94 121.46 2dkh s TRP 230 Ca -0.10 -0.86 -0.24 0.00 0.02 0.00 0.00 56.10 54.93 2dkh s TRP 230 Cb -0.13 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 2dkh s TRP 230 CO 0.01 -0.31 0.71 0.20 0.02 0.00 0.00 176.95 177.58 2dkh s GLY 231 N 0.09 2.66 -0.07 0.98 0.00 0.52 0.42 107.32 111.92 2dkh s GLY 231 Ca -0.11 0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.81 2dkh s GLY 231 CO 0.06 1.15 -0.17 0.14 0.00 0.00 0.00 173.10 174.28 2dkh s VAL 232 N 0.60 1.51 -0.05 1.40 1.01 0.13 0.25 120.40 125.26 2dkh s VAL 232 Ca 0.38 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2dkh s VAL 232 Cb -0.18 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 34.90 2dkh s VAL 232 CO 0.19 0.44 0.12 0.00 0.00 0.00 0.00 175.10 175.85 2dkh s MET 233 N 0.32 0.10 -0.30 2.72 0.23 -0.65 0.16 119.30 121.88 2dkh s MET 233 Ca -0.11 0.26 -0.11 0.00 -1.03 0.00 0.00 55.69 54.70 2dkh s MET 233 Cb -0.15 -0.07 -0.03 0.00 -1.53 0.00 0.00 34.83 33.05 2dkh s MET 233 CO 0.04 -0.10 0.19 -0.51 -2.03 0.00 0.00 175.02 172.61 2dkh s ASP 234 N 0.66 5.86 0.12 -1.18 -0.00 0.10 -0.84 116.67 121.38 2dkh s ASP 234 Ca -0.05 -0.25 0.05 0.00 -0.00 0.00 0.00 52.55 52.30 2dkh s ASP 234 Cb -0.07 -2.08 -0.04 0.00 -0.00 0.00 0.00 42.92 40.73 2dkh s ASP 234 CO -0.03 -0.13 -0.12 0.68 -0.00 0.00 0.00 175.17 175.56 2dkh s VAL 235 N 1.71 1.19 -0.40 -1.27 -7.23 0.26 -2.80 120.40 111.86 2dkh s VAL 235 Ca 0.06 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2dkh s VAL 235 Cb -0.17 -1.49 0.10 0.00 0.56 0.00 0.00 36.38 35.38 2dkh s VAL 235 CO 0.09 -0.48 0.20 -0.76 -0.31 0.00 0.00 175.10 173.84 2dkh s LEU 236 N -2.49 5.11 0.19 1.32 1.43 0.07 -1.57 118.68 122.74 2dkh s LEU 236 Ca 0.08 -1.83 0.02 0.00 -1.03 0.00 0.00 54.13 51.37 2dkh s LEU 236 Cb -0.04 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2dkh s LEU 236 CO 0.02 -0.52 0.02 0.00 0.23 0.00 0.00 176.35 176.10 2dkh s ALA 237 N 1.23 1.42 -0.18 4.21 0.00 -1.26 -0.67 121.76 126.52 2dkh s ALA 237 Ca 0.05 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 2dkh s ALA 237 Cb -0.23 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2dkh s ALA 237 CO -0.02 -0.35 -0.10 0.08 0.00 0.00 0.00 175.76 175.36 2dkh s VAL 238 N -3.68 3.00 0.04 0.00 1.01 -0.03 -4.94 120.40 115.80 2dkh s VAL 238 Ca 0.27 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2dkh s VAL 238 Cb 0.06 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2dkh s VAL 238 CO 0.06 0.48 -0.03 0.28 0.00 0.00 0.00 175.10 175.89 2dkh s THR 239 N 1.03 0.21 -1.34 3.92 -1.32 -1.26 -0.94 115.64 115.93 2dkh s THR 239 Ca -0.01 -1.53 0.17 0.00 -1.21 0.00 0.00 61.69 59.12 2dkh s THR 239 Cb -0.15 -1.12 0.50 0.00 -1.51 0.00 0.00 72.50 70.23 2dkh s THR 239 CO -0.02 -0.83 1.42 -0.90 -2.21 0.00 0.00 174.62 172.08 2dkh n ASP 240 N 0.59 3.61 -4.65 8.08 3.85 -1.18 -4.92 116.55 121.92 2dkh n ASP 240 Ca -0.17 -2.10 -0.42 0.00 -0.71 0.00 0.00 54.79 51.38 2dkh n ASP 240 Cb 0.59 -0.39 -0.03 0.00 -1.35 0.00 0.00 41.12 39.94 2dkh n ASP 240 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 2dkh s PHE 241 N -1.18 2.05 0.50 2.11 5.36 -1.26 -4.90 117.98 120.66 2dkh s PHE 241 Ca 0.38 0.33 0.32 0.00 -0.96 0.00 0.00 56.93 57.00 2dkh s PHE 241 Cb 0.21 -3.90 1.78 0.00 -0.34 0.00 0.00 43.02 40.77 2dkh s PHE 241 CO 0.24 -3.52 2.19 -1.00 -1.46 0.00 0.00 175.22 171.67 2dkh h PRO 242 N 9.76 0.00 -0.52 10.12 0.13 -2.01 -3.16 132.00 146.33 2dkh h PRO 242 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2dkh h PRO 242 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dkh h PRO 242 CO 0.96 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.53 2dkh n ASP 243 N -3.55 4.89 0.28 1.44 10.43 -1.26 -4.66 116.55 124.11 2dkh n ASP 243 Ca -0.02 -2.75 0.18 0.00 2.57 0.00 0.00 54.79 54.77 2dkh n ASP 243 Cb 0.16 -0.60 0.95 0.00 1.84 0.00 0.00 41.12 43.47 2dkh n ASP 243 CO 0.00 0.00 0.00 1.62 -1.07 0.00 0.00 177.20 177.75 2dkh h VAL 244 N 3.44 0.30 -0.22 2.53 3.04 -1.96 -1.32 116.25 122.06 2dkh h VAL 244 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2dkh h VAL 244 Cb 1.63 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2dkh h VAL 244 CO 0.33 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.43 2dkh n ARG 245 N -3.51 1.92 -3.34 4.17 5.12 -1.26 -4.54 116.66 115.21 2dkh n ARG 245 Ca -0.01 -1.38 -0.19 0.00 -1.93 0.00 0.00 57.85 54.34 2dkh n ARG 245 Cb 0.21 -1.42 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 2dkh n ARG 245 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2dkh s TYR 246 N -1.72 2.75 -0.02 -1.55 2.02 -0.50 -4.76 117.35 113.57 2dkh s TYR 246 Ca 0.33 -0.45 -0.25 0.00 -0.37 0.00 0.00 57.07 56.33 2dkh s TYR 246 Cb 0.18 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2dkh s TYR 246 CO 0.27 -0.24 0.78 0.21 -1.57 0.00 0.00 175.55 175.00 2dkh s LYS 247 N -4.22 4.48 -0.04 -0.62 2.20 -1.24 -4.02 119.74 116.28 2dkh s LYS 247 Ca 0.51 1.04 0.01 0.00 -0.36 0.00 0.00 55.97 57.17 2dkh s LYS 247 Cb -0.06 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2dkh s LYS 247 CO 0.30 0.09 -0.04 0.08 -0.36 0.00 0.00 175.35 175.42 2dkh s VAL 248 N 0.63 0.50 -0.29 4.02 1.01 -0.30 -1.68 120.40 124.29 2dkh s VAL 248 Ca 0.41 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 2dkh s VAL 248 Cb -0.19 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2dkh s VAL 248 CO 0.21 0.21 0.15 0.00 0.00 0.00 0.00 175.10 175.68 2dkh s ALA 249 N 0.85 3.36 -0.17 5.51 0.00 -0.57 0.04 121.76 130.78 2dkh s ALA 249 Ca -0.11 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 2dkh s ALA 249 Cb -0.14 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2dkh s ALA 249 CO 0.00 -0.69 -0.15 0.42 0.00 0.00 0.00 175.76 175.34 2dkh s ILE 250 N 1.67 2.55 -0.12 0.00 1.01 0.12 -1.19 121.20 125.24 2dkh s ILE 250 Ca 0.06 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2dkh s ILE 250 Cb -0.16 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2dkh s ILE 250 CO 0.08 0.51 -0.15 -1.10 0.00 0.00 0.00 174.94 174.27 2dkh s GLN 251 N 1.08 3.31 0.27 2.79 -0.21 -0.36 -0.51 119.66 126.03 2dkh s GLN 251 Ca -0.00 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.60 2dkh s GLN 251 Cb -0.14 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 2dkh s GLN 251 CO -0.05 0.20 0.38 -1.54 -2.12 0.00 0.00 175.29 172.16 2dkh s SER 252 N 0.36 0.40 0.00 5.90 1.04 -0.89 -3.38 113.70 117.12 2dkh s SER 252 Ca -0.13 -1.28 0.30 0.00 0.48 0.00 0.00 55.95 55.33 2dkh s SER 252 Cb -0.16 0.56 1.58 0.00 0.10 0.00 0.00 66.02 68.09 2dkh s SER 252 CO 0.06 -1.11 2.07 -0.62 0.98 0.00 0.00 173.24 174.62 2dkh n GLU 253 N -0.43 0.70 0.00 4.02 -0.58 -1.26 -2.67 120.64 120.42 2dkh n GLU 253 Ca 0.01 -0.07 0.11 0.00 -0.42 0.00 0.00 57.16 56.78 2dkh n GLU 253 Cb 0.63 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 30.01 2dkh n GLU 253 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2dkh n GLN 254 N -1.09 1.40 0.00 3.49 1.13 -1.26 -5.07 117.38 115.99 2dkh n GLN 254 Ca 0.18 -1.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.14 2dkh n GLN 254 Cb 0.21 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2dkh n GLN 254 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dkh n GLY 255 N 1.37 2.81 3.61 1.08 0.00 -1.09 -4.71 105.19 108.26 2dkh n GLY 255 Ca 0.09 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 2dkh n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dkh s ASN 256 N 0.00 4.80 0.02 1.61 0.01 -1.26 -2.09 114.94 118.02 2dkh s ASN 256 Ca 0.00 0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 2dkh s ASN 256 Cb 0.00 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.39 2dkh s ASN 256 CO 0.00 0.36 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.21 2dkh s VAL 257 N -0.80 0.38 -0.11 1.60 1.01 0.33 -1.20 120.40 121.60 2dkh s VAL 257 Ca 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2dkh s VAL 257 Cb -0.11 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.86 2dkh s VAL 257 CO 0.02 -0.21 -0.20 -0.22 0.00 0.00 0.00 175.10 174.48 2dkh s LEU 258 N -0.97 1.98 -0.20 3.92 2.96 -0.19 0.12 118.68 126.30 2dkh s LEU 258 Ca -0.06 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2dkh s LEU 258 Cb -0.07 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2dkh s LEU 258 CO -0.00 0.09 0.08 -0.63 -1.32 0.00 0.00 176.35 174.57 2dkh s ILE 259 N 0.69 4.83 -0.25 6.68 1.01 0.11 -0.70 121.20 133.55 2dkh s ILE 259 Ca -0.11 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2dkh s ILE 259 Cb -0.16 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.17 2dkh s ILE 259 CO 0.02 0.42 -0.11 -0.63 0.00 0.00 0.00 174.94 174.65 2dkh s ILE 260 N 0.67 2.09 0.27 2.92 -1.09 0.16 -1.15 121.20 125.07 2dkh s ILE 260 Ca 0.04 -1.57 -0.29 0.00 -2.23 0.00 0.00 60.65 56.60 2dkh s ILE 260 Cb -0.13 -2.21 -0.10 0.00 -1.58 0.00 0.00 42.46 38.45 2dkh s ILE 260 CO 0.02 -0.02 1.29 -2.16 -1.23 0.00 0.00 174.94 172.84 2dkh s PRO 261 N 1.14 4.40 0.33 2.79 0.04 -1.26 -0.71 135.00 141.74 2dkh s PRO 261 Ca -0.08 2.11 0.07 0.00 0.04 0.00 0.00 61.00 63.15 2dkh s PRO 261 Cb -0.20 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2dkh s PRO 261 CO -0.05 -0.17 0.31 1.03 0.04 0.00 0.00 177.00 178.15 2dkh s ARG 262 N -1.09 2.77 0.30 4.56 1.81 -0.63 -4.81 118.95 121.86 2dkh s ARG 262 Ca 0.52 -1.26 -0.28 0.00 -1.72 0.00 0.00 55.73 52.98 2dkh s ARG 262 Cb -0.38 -2.51 -0.13 0.00 -0.45 0.00 0.00 34.95 31.47 2dkh s ARG 262 CO 0.46 0.10 1.11 -0.85 -0.68 0.00 0.00 175.30 175.44 2dkh n GLU 263 N -1.40 1.61 -0.00 3.54 0.00 -1.26 -3.20 120.64 119.93 2dkh n GLU 263 Ca -0.02 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.71 2dkh n GLU 263 Cb 0.60 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 30.02 2dkh n GLU 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dkh n GLY 264 N 1.12 0.23 3.20 -1.84 0.00 -1.26 -4.44 105.19 102.21 2dkh n GLY 264 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2dkh n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkh n GLY 265 N -2.00 1.61 0.89 -0.02 0.00 -1.20 -4.76 105.19 99.71 2dkh n GLY 265 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dkh n GLY 265 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dkh n HIS 266 N -2.00 0.00 -1.91 1.61 8.25 -1.26 -5.05 115.22 114.86 2dkh n HIS 266 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2dkh n HIS 266 Cb 0.00 0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.18 2dkh n HIS 266 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dkh s LEU 267 N -5.60 4.05 -0.02 2.41 2.96 -1.26 -4.63 118.68 116.59 2dkh s LEU 267 Ca 0.00 2.73 -0.03 0.00 -0.22 0.00 0.00 54.13 56.62 2dkh s LEU 267 Cb 0.00 -4.06 0.01 0.00 0.50 0.00 0.00 46.19 42.64 2dkh s LEU 267 CO 0.00 -1.17 0.07 -0.69 -1.32 0.00 0.00 176.35 173.23 2dkh s VAL 268 N -1.29 0.01 -0.13 1.68 1.01 -0.61 -1.61 120.40 119.47 2dkh s VAL 268 Ca 0.63 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2dkh s VAL 268 Cb -0.39 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2dkh s VAL 268 CO 0.49 -0.04 0.01 -0.60 0.00 0.00 0.00 175.10 174.96 2dkh s ARG 269 N -0.09 3.47 -0.12 2.72 3.52 0.11 -0.57 118.95 127.99 2dkh s ARG 269 Ca -0.01 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2dkh s ARG 269 Cb -0.01 -2.95 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 2dkh s ARG 269 CO 0.00 0.45 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.71 2dkh s PHE 270 N -0.19 2.71 -0.23 5.12 0.40 -0.02 -0.66 117.98 125.11 2dkh s PHE 270 Ca 0.05 -0.83 -0.07 0.00 -0.60 0.00 0.00 56.93 55.48 2dkh s PHE 270 Cb -0.12 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 2dkh s PHE 270 CO 0.02 -0.31 0.06 0.71 0.70 0.00 0.00 175.22 176.40 2dkh s TYR 271 N 0.38 3.10 -0.21 0.36 1.51 0.12 -1.64 117.35 120.97 2dkh s TYR 271 Ca -0.14 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 2dkh s TYR 271 Cb -0.17 -2.20 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 2dkh s TYR 271 CO 0.07 -0.27 -0.07 0.08 -1.11 0.00 0.00 175.55 174.25 2dkh s VAL 272 N 1.38 3.15 0.30 0.71 1.01 0.14 -1.02 120.40 126.07 2dkh s VAL 272 Ca 0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2dkh s VAL 272 Cb -0.15 -2.42 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 2dkh s VAL 272 CO 0.03 0.44 1.30 -0.70 0.00 0.00 0.00 175.10 176.18 2dkh s GLU 273 N 1.43 4.38 0.00 2.72 2.12 -0.34 -0.36 118.70 128.65 2dkh s GLU 273 Ca 0.05 2.17 0.00 0.00 0.36 0.00 0.00 54.97 57.55 2dkh s GLU 273 Cb -0.14 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2dkh s GLU 273 CO -0.05 -0.18 0.00 -1.33 -0.54 0.00 0.00 175.26 173.16 2dkh n MET 274 N 1.23 1.58 -1.98 4.30 2.81 -0.29 -4.72 117.12 120.05 2dkh n MET 274 Ca 0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.89 2dkh n MET 274 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 2dkh n MET 274 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2dkh n ASP 275 N -0.41 -4.24 -1.68 7.83 -0.08 -1.26 -4.42 116.55 112.27 2dkh n ASP 275 Ca 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 2dkh n ASP 275 Cb 0.00 -2.63 0.00 0.00 2.34 0.00 0.00 41.12 40.83 2dkh n ASP 275 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2dkh n ASN 287 N -0.06 -0.73 -4.72 1.67 4.05 -1.26 -5.12 115.26 109.09 2dkh n ASN 287 Ca 0.02 -0.49 -0.42 0.00 0.45 0.00 0.00 54.58 54.14 2dkh n ASN 287 Cb 0.08 -0.18 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 2dkh n ASN 287 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2dkh s ILE 288 N 0.34 3.46 0.27 -1.44 -1.09 -1.26 -5.03 121.20 116.46 2dkh s ILE 288 Ca 0.00 1.09 0.10 0.00 -2.23 0.00 0.00 60.65 59.61 2dkh s ILE 288 Cb 0.00 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 2dkh s ILE 288 CO 0.00 0.11 -0.15 0.42 -1.23 0.00 0.00 174.94 174.09 2dkh s THR 289 N 0.80 2.16 0.33 2.92 -4.23 -1.26 -5.02 115.64 111.34 2dkh s THR 289 Ca 0.61 -2.29 0.08 0.00 -1.18 0.00 0.00 61.69 58.91 2dkh s THR 289 Cb -0.35 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.25 2dkh s THR 289 CO 0.32 -0.40 1.78 1.62 -0.54 0.00 0.00 174.62 177.40 2dkh h VAL 290 N 2.29 1.27 -1.00 2.29 3.04 -1.99 -2.24 116.25 119.91 2dkh h VAL 290 Ca -0.40 -1.29 0.03 0.00 -1.01 0.00 0.00 66.70 64.04 2dkh h VAL 290 Cb 1.25 1.55 -0.06 0.00 -2.01 0.00 0.00 31.29 32.02 2dkh h VAL 290 CO 0.63 0.38 0.65 -0.33 -1.01 0.00 0.00 177.57 177.90 2dkh h GLU 291 N 0.18 1.24 -0.48 4.17 3.07 -1.99 0.84 114.58 121.62 2dkh h GLU 291 Ca 0.02 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.69 2dkh h GLU 291 Cb 0.67 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2dkh h GLU 291 CO 0.05 0.82 -0.15 1.96 -1.40 0.00 0.00 179.01 180.29 2dkh h GLN 292 N 1.28 0.96 -0.42 2.33 4.20 -1.82 -0.47 115.11 121.16 2dkh h GLN 292 Ca 0.39 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2dkh h GLN 292 Cb -0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2dkh h GLN 292 CO -0.11 1.05 0.22 -0.07 -0.67 0.00 0.00 178.83 179.24 2dkh h LEU 293 N 0.81 0.54 -0.42 1.46 3.38 -0.87 -0.71 115.31 119.49 2dkh h LEU 293 Ca 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dkh h LEU 293 Cb 0.72 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2dkh h LEU 293 CO 0.05 0.49 0.18 0.40 0.09 0.00 0.00 178.44 179.66 2dkh h ILE 294 N 0.54 1.19 -0.87 1.22 2.04 -0.75 -0.67 117.51 120.21 2dkh h ILE 294 Ca 0.15 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2dkh h ILE 294 Cb 0.09 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2dkh h ILE 294 CO -0.02 0.21 0.56 0.00 0.00 0.00 0.00 178.15 178.90 2dkh h ALA 295 N 1.03 1.13 -0.24 1.87 0.00 -0.82 -0.28 119.26 121.96 2dkh h ALA 295 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2dkh h ALA 295 Cb 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2dkh h ALA 295 CO -0.01 0.42 -0.06 1.15 0.00 0.00 0.00 179.25 180.74 2dkh h THR 296 N 1.10 1.29 -1.01 0.00 2.02 -0.75 -2.06 112.91 113.50 2dkh h THR 296 Ca 0.34 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.48 2dkh h THR 296 Cb -0.02 1.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 2dkh h THR 296 CO -0.11 0.33 0.66 0.00 0.37 0.00 0.00 175.52 176.77 2dkh h ALA 297 N 0.75 1.34 -0.61 6.16 0.00 -0.73 -0.34 119.26 125.82 2dkh h ALA 297 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2dkh h ALA 297 Cb 0.53 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2dkh h ALA 297 CO 0.02 0.56 0.20 1.96 0.00 0.00 0.00 179.25 181.99 2dkh h GLN 298 N 1.27 0.95 -0.44 0.00 4.20 -0.92 0.31 115.11 120.49 2dkh h GLN 298 Ca 0.40 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.83 2dkh h GLN 298 Cb -0.00 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2dkh h GLN 298 CO -0.12 0.84 -0.05 0.00 -0.67 0.00 0.00 178.83 178.83 2dkh h ARG 299 N 0.88 0.74 -0.33 1.46 3.08 -0.64 -1.63 114.38 117.93 2dkh h ARG 299 Ca 0.20 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2dkh h ARG 299 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2dkh h ARG 299 CO -0.01 0.78 -0.30 0.28 -1.07 0.00 0.00 179.97 179.66 2dkh h VAL 300 N 0.68 1.29 0.00 2.04 2.07 -0.75 -3.23 116.25 118.35 2dkh h VAL 300 Ca 0.13 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.18 2dkh h VAL 300 Cb 0.49 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2dkh h VAL 300 CO 0.03 0.48 0.00 -0.07 0.02 0.00 0.00 177.57 178.02 2dkh h LEU 301 N 0.57 0.00 -9.23 2.57 3.38 -0.75 -3.43 115.31 108.42 2dkh h LEU 301 Ca 0.06 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.39 2dkh h LEU 301 Cb 0.88 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.74 2dkh h LEU 301 CO 0.08 0.00 -0.24 1.57 0.09 0.00 0.00 178.44 179.94 2dkh n HIS 302 N -2.78 0.25 1.35 1.13 -0.00 -0.63 -0.78 115.22 113.75 2dkh n HIS 302 Ca 0.03 0.82 0.12 0.00 0.46 0.00 0.00 57.72 59.16 2dkh n HIS 302 Cb 0.41 -2.08 0.68 0.00 -0.12 0.00 0.00 29.99 28.87 2dkh n HIS 302 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2dkh n PRO 303 N 0.85 0.55 -2.25 1.57 -0.04 -1.26 -3.37 135.00 131.04 2dkh n PRO 303 Ca 0.14 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 2dkh n PRO 303 Cb 0.29 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2dkh n PRO 303 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2dkh s TYR 304 N -2.32 3.28 0.21 0.54 2.02 0.04 -5.01 117.35 116.11 2dkh s TYR 304 Ca 0.30 1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 58.26 2dkh s TYR 304 Cb 0.17 -3.55 -0.07 0.00 -0.40 0.00 0.00 41.96 38.11 2dkh s TYR 304 CO 0.34 -1.57 0.55 0.15 -1.57 0.00 0.00 175.55 173.45 2dkh s LYS 305 N -0.77 3.85 -0.22 -0.62 1.02 -1.26 -4.73 119.74 117.00 2dkh s LYS 305 Ca 0.52 0.34 -0.02 0.00 0.02 0.00 0.00 55.97 56.83 2dkh s LYS 305 Cb -0.36 -2.72 0.07 0.00 -0.52 0.00 0.00 37.83 34.30 2dkh s LYS 305 CO 0.42 0.36 0.05 -1.17 -0.92 0.00 0.00 175.35 174.09 2dkh s LEU 306 N -2.58 1.37 -0.38 3.17 2.96 -1.26 -3.13 118.68 118.83 2dkh s LEU 306 Ca 0.45 -1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2dkh s LEU 306 Cb -0.12 -0.65 0.08 0.00 0.50 0.00 0.00 46.19 46.00 2dkh s LEU 306 CO 0.20 -0.33 0.16 -0.70 -1.32 0.00 0.00 176.35 174.36 2dkh s GLU 307 N 1.82 2.36 -0.15 1.98 2.12 -0.11 -4.96 118.70 121.75 2dkh s GLU 307 Ca 0.01 -1.50 -0.29 0.00 0.36 0.00 0.00 54.97 53.55 2dkh s GLU 307 Cb -0.17 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.68 2dkh s GLU 307 CO -0.13 -0.88 1.04 0.08 -0.54 0.00 0.00 175.26 174.84 2dkh s VAL 308 N 1.28 4.69 -0.15 3.70 1.01 -1.26 -0.85 120.40 128.82 2dkh s VAL 308 Ca 0.02 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.09 2dkh s VAL 308 Cb -0.22 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 2dkh s VAL 308 CO -0.01 -0.07 0.25 0.29 0.00 0.00 0.00 175.10 175.56 2dkh n LYS 309 N 5.59 0.68 -3.63 2.72 4.76 0.16 -4.98 118.16 123.46 2dkh n LYS 309 Ca 0.10 0.16 -0.15 0.00 -2.87 0.00 0.00 58.31 55.55 2dkh n LYS 309 Cb 0.47 -1.64 -0.07 0.00 -1.84 0.00 0.00 35.03 31.95 2dkh n LYS 309 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2dkh s ASN 310 N -6.12 -0.57 -0.47 4.39 3.84 -0.86 -5.01 114.94 110.14 2dkh s ASN 310 Ca -0.15 0.84 0.03 0.00 0.21 0.00 0.00 52.86 53.79 2dkh s ASN 310 Cb 0.07 0.82 0.13 0.00 -0.55 0.00 0.00 41.25 41.72 2dkh s ASN 310 CO 0.78 -0.40 0.24 -0.69 -2.79 0.00 0.00 177.10 174.23 2dkh s VAL 311 N -0.53 1.97 0.53 -5.21 1.01 -1.26 -0.75 120.40 116.15 2dkh s VAL 311 Ca -0.06 -2.86 0.22 0.00 0.00 0.00 0.00 61.98 59.28 2dkh s VAL 311 Cb -0.03 -2.38 0.35 0.00 0.00 0.00 0.00 36.38 34.33 2dkh s VAL 311 CO 0.05 -0.83 2.05 -0.65 0.00 0.00 0.00 175.10 175.72 2dkh h PRO 312 N 6.70 0.00 -1.60 2.72 0.11 -1.91 -3.45 132.00 134.58 2dkh h PRO 312 Ca -0.05 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.13 2dkh h PRO 312 Cb 0.92 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.80 2dkh h PRO 312 CO 0.58 0.00 0.51 -0.46 -0.21 0.00 0.00 178.00 178.42 2dkh s TRP 313 N -5.02 -0.40 0.10 0.65 -0.00 -1.24 -5.03 118.94 108.00 2dkh s TRP 313 Ca -0.05 0.72 -0.24 0.00 -0.00 0.00 0.00 56.10 56.53 2dkh s TRP 313 Cb 0.19 0.44 0.07 0.00 -0.00 0.00 0.00 33.47 34.16 2dkh s TRP 313 CO 0.70 -0.35 0.59 1.67 -0.00 0.00 0.00 176.95 179.57 2dkh s TRP 314 N -0.98 -0.53 0.16 5.86 1.48 -1.26 0.02 118.94 123.69 2dkh s TRP 314 Ca -0.02 0.50 -0.24 0.00 -1.06 0.00 0.00 56.10 55.28 2dkh s TRP 314 Cb -0.01 0.48 0.07 0.00 -1.16 0.00 0.00 33.47 32.86 2dkh s TRP 314 CO 0.02 -0.76 1.02 0.45 -4.06 0.00 0.00 176.95 173.61 2dkh s SER 315 N -2.31 -0.07 -0.49 -2.66 0.15 0.12 -4.98 113.70 103.47 2dkh s SER 315 Ca -0.02 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.03 2dkh s SER 315 Cb -0.01 0.48 0.13 0.00 -1.71 0.00 0.00 66.02 64.91 2dkh s SER 315 CO -0.06 -0.93 0.32 -0.69 1.20 0.00 0.00 173.24 173.08 2dkh s VAL 316 N -2.62 3.69 -0.47 4.45 1.01 -1.26 0.22 120.40 125.42 2dkh s VAL 316 Ca 0.18 -2.24 -0.28 0.00 0.00 0.00 0.00 61.98 59.64 2dkh s VAL 316 Cb -0.02 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2dkh s VAL 316 CO 0.04 -0.77 1.05 -0.47 0.00 0.00 0.00 175.10 174.95 2dkh s TYR 317 N 0.85 2.86 -0.12 5.22 5.04 0.17 -4.87 117.35 126.51 2dkh s TYR 317 Ca 0.10 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.30 2dkh s TYR 317 Cb -0.23 -4.24 0.06 0.00 0.35 0.00 0.00 41.96 37.90 2dkh s TYR 317 CO -0.03 -1.19 0.19 -2.00 -1.34 0.00 0.00 175.55 171.17 2dkh s GLU 318 N 4.17 0.08 -0.07 4.97 2.12 -1.26 0.16 118.70 128.87 2dkh s GLU 318 Ca 0.44 0.50 -0.16 0.00 0.36 0.00 0.00 54.97 56.11 2dkh s GLU 318 Cb -0.08 -0.47 0.03 0.00 0.26 0.00 0.00 34.13 33.87 2dkh s GLU 318 CO 0.29 -0.38 0.38 0.96 -0.54 0.00 0.00 175.26 175.97 2dkh s ILE 319 N 2.32 0.03 0.48 -3.70 -0.00 -1.26 -5.01 121.20 114.06 2dkh s ILE 319 Ca 0.03 -0.26 0.02 0.00 -0.00 0.00 0.00 60.65 60.45 2dkh s ILE 319 Cb -0.13 -0.63 0.01 0.00 -0.00 0.00 0.00 42.46 41.72 2dkh s ILE 319 CO -0.08 -0.14 0.69 -0.83 -0.00 0.00 0.00 174.94 174.59 2dkh s GLY 320 N -0.75 1.71 -0.44 6.27 0.00 -1.26 -4.07 107.32 108.78 2dkh s GLY 320 Ca -0.08 -1.24 -0.22 0.00 0.00 0.00 0.00 44.72 43.17 2dkh s GLY 320 CO 0.03 -1.03 0.72 1.20 0.00 0.00 0.00 173.10 174.03 2dkh s GLN 321 N -4.60 3.36 0.09 2.90 -0.21 -1.22 -4.53 119.66 115.45 2dkh s GLN 321 Ca 0.52 -0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.71 2dkh s GLN 321 Cb -0.10 -3.94 -0.04 0.00 1.00 0.00 0.00 33.01 29.93 2dkh s GLN 321 CO 0.37 -1.06 -0.07 1.03 -2.12 0.00 0.00 175.29 173.45 2dkh s ARG 322 N 3.07 0.82 -0.08 2.91 0.52 -0.80 -1.95 118.95 123.44 2dkh s ARG 322 Ca 0.27 -1.30 -0.24 0.00 -0.52 0.00 0.00 55.73 53.94 2dkh s ARG 322 Cb -0.13 -0.21 0.05 0.00 0.52 0.00 0.00 34.95 35.19 2dkh s ARG 322 CO 0.21 -0.01 0.55 -1.50 0.02 0.00 0.00 175.30 174.56 2dkh s ILE 323 N -3.51 0.02 0.41 1.52 2.07 -0.48 -0.99 121.20 120.24 2dkh s ILE 323 Ca 0.11 -0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.01 2dkh s ILE 323 Cb 0.04 -0.84 -0.11 0.00 0.13 0.00 0.00 42.46 41.69 2dkh s ILE 323 CO -0.05 -0.07 0.92 0.00 -1.91 0.00 0.00 174.94 173.83 2dkh h ALA 325 N 1.95 1.04 -2.58 0.00 0.00 -1.91 -3.45 119.26 114.32 2dkh h ALA 325 Ca -0.49 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2dkh h ALA 325 Cb 1.18 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 2dkh h ALA 325 CO 0.62 0.36 -0.34 0.21 0.00 0.00 0.00 179.25 180.10 2dkh s LYS 326 N -3.69 0.64 -0.07 0.00 2.47 -1.26 -5.03 119.74 112.80 2dkh s LYS 326 Ca -0.00 -0.33 0.17 0.00 -1.56 0.00 0.00 55.97 54.26 2dkh s LYS 326 Cb 0.11 0.28 0.59 0.00 -1.46 0.00 0.00 37.83 37.35 2dkh s LYS 326 CO 0.66 -0.18 1.50 0.66 0.16 0.00 0.00 175.35 178.16 2dkh n TYR 327 N 1.18 1.09 -4.24 4.03 0.53 -1.26 -4.99 117.16 113.49 2dkh n TYR 327 Ca -0.21 -0.59 -0.17 0.00 -1.02 0.00 0.00 57.90 55.91 2dkh n TYR 327 Cb 0.56 -0.15 -0.07 0.00 -1.03 0.00 0.00 39.34 38.66 2dkh n TYR 327 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 2dkh n ASP 328 N 0.93 -0.65 -1.19 7.72 3.85 -1.26 -1.07 116.55 124.88 2dkh n ASP 328 Ca 0.22 -2.93 0.04 0.00 -0.71 0.00 0.00 54.79 51.40 2dkh n ASP 328 Cb 0.73 1.51 0.20 0.00 -1.35 0.00 0.00 41.12 42.21 2dkh n ASP 328 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2dkh n ASP 329 N -1.83 3.34 -4.60 -1.12 3.85 -0.77 -4.84 116.55 110.58 2dkh n ASP 329 Ca 0.07 -2.46 -0.39 0.00 -0.71 0.00 0.00 54.79 51.30 2dkh n ASP 329 Cb 0.53 -0.59 -0.09 0.00 -1.35 0.00 0.00 41.12 39.62 2dkh n ASP 329 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2dkh s VAL 330 N -1.87 5.19 0.19 2.12 1.01 -1.26 -4.95 120.40 120.83 2dkh s VAL 330 Ca 0.27 0.52 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 2dkh s VAL 330 Cb 0.21 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 33.02 2dkh s VAL 330 CO 0.08 0.17 1.82 0.58 0.00 0.00 0.00 175.10 177.76 2dkh h VAL 331 N 5.38 1.05 -1.71 2.92 2.07 -1.95 -3.44 116.25 120.57 2dkh h VAL 331 Ca -0.32 -0.24 -0.68 0.00 0.82 0.00 0.00 66.70 66.27 2dkh h VAL 331 Cb 1.17 0.28 0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2dkh h VAL 331 CO 0.63 0.13 0.66 0.47 0.02 0.00 0.00 177.57 179.48 2dkh n ASP 332 N -4.75 2.10 -0.28 0.57 10.43 -1.26 -4.86 116.55 118.50 2dkh n ASP 332 Ca 0.06 1.09 -0.04 0.00 2.57 0.00 0.00 54.79 58.47 2dkh n ASP 332 Cb 0.10 -1.21 0.07 0.00 1.84 0.00 0.00 41.12 41.92 2dkh n ASP 332 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2dkh h ALA 333 N 5.75 0.99 -3.27 2.24 0.00 -1.98 -3.38 119.26 119.61 2dkh h ALA 333 Ca -0.47 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 2dkh h ALA 333 Cb 1.32 -0.32 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 2dkh h ALA 333 CO 0.85 0.41 -0.76 0.08 0.00 0.00 0.00 179.25 179.82 2dkh s VAL 334 N -6.13 0.63 0.47 0.00 1.01 -1.26 -5.02 120.40 110.10 2dkh s VAL 334 Ca -0.13 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2dkh s VAL 334 Cb 0.15 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 2dkh s VAL 334 CO 0.78 -0.28 1.26 0.00 0.00 0.00 0.00 175.10 176.86 2dkh s ALA 335 N 1.80 3.02 0.42 5.51 0.00 -1.26 -5.06 121.76 126.18 2dkh s ALA 335 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.13 2dkh s ALA 335 Cb -0.17 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2dkh s ALA 335 CO -0.11 -0.90 0.07 0.95 0.00 0.00 0.00 175.76 175.77 2dkh s THR 336 N -1.39 0.95 -0.48 0.00 -4.23 -1.26 -5.00 115.64 104.23 2dkh s THR 336 Ca 0.64 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.27 2dkh s THR 336 Cb -0.35 -2.43 0.12 0.00 1.34 0.00 0.00 72.50 71.18 2dkh s THR 336 CO 0.43 0.00 1.35 -2.65 -0.54 0.00 0.00 174.62 173.21 2dkh n PRO 337 N -0.96 0.08 -0.03 3.99 -0.02 -1.26 -1.53 135.00 135.26 2dkh n PRO 337 Ca -0.09 0.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 2dkh n PRO 337 Cb 0.66 -1.80 0.09 0.00 -0.02 0.00 0.00 33.50 32.43 2dkh n PRO 337 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dkh n ASP 338 N -1.92 2.45 -4.80 2.55 3.85 -1.26 -5.00 116.55 112.43 2dkh n ASP 338 Ca -0.01 -1.71 -0.33 0.00 -0.71 0.00 0.00 54.79 52.04 2dkh n ASP 338 Cb 0.06 -0.04 0.02 0.00 -1.35 0.00 0.00 41.12 39.81 2dkh n ASP 338 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 2dkh s SER 339 N -1.29 5.63 0.71 -1.12 0.01 -0.58 -5.00 113.70 112.06 2dkh s SER 339 Ca 0.20 1.84 -0.14 0.00 1.31 0.00 0.00 55.95 59.16 2dkh s SER 339 Cb 0.14 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.86 2dkh s SER 339 CO 0.20 -1.27 1.16 -2.84 0.41 0.00 0.00 173.24 170.90 2dkh s PRO 340 N -4.14 2.35 0.19 12.44 0.02 -1.26 -4.93 135.00 139.67 2dkh s PRO 340 Ca 0.64 1.56 -0.20 0.00 0.02 0.00 0.00 61.00 63.02 2dkh s PRO 340 Cb -0.17 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 2dkh s PRO 340 CO 0.39 -1.63 0.69 -0.51 -0.33 0.00 0.00 177.00 175.61 2dkh s LEU 341 N -5.17 4.40 0.50 -5.54 1.43 -1.26 -4.93 118.68 108.11 2dkh s LEU 341 Ca 0.70 1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 54.98 2dkh s LEU 341 Cb -0.24 -3.43 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 2dkh s LEU 341 CO 0.45 0.09 1.11 -2.16 0.23 0.00 0.00 176.35 176.07 2dkh s PRO 342 N -1.76 3.63 0.00 1.29 0.04 -1.26 -4.92 135.00 132.01 2dkh s PRO 342 Ca 0.40 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2dkh s PRO 342 Cb -0.18 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2dkh s PRO 342 CO 0.21 -0.61 0.00 0.54 0.04 0.00 0.00 177.00 177.18 2dkh n ARG 343 N -0.91 2.45 -4.67 4.56 5.12 -1.26 -5.04 116.66 116.90 2dkh n ARG 343 Ca 0.09 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.76 2dkh n ARG 343 Cb 0.50 -0.78 -0.16 0.00 -1.16 0.00 0.00 32.46 30.86 2dkh n ARG 343 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dkh s VAL 344 N -1.33 1.24 0.21 1.55 1.01 -1.26 -2.05 120.40 119.77 2dkh s VAL 344 Ca 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.51 2dkh s VAL 344 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 2dkh s VAL 344 CO 0.00 0.38 -0.17 -0.36 0.00 0.00 0.00 175.10 174.94 2dkh s PHE 345 N 0.50 1.92 0.01 5.22 0.40 -0.43 -1.84 117.98 123.76 2dkh s PHE 345 Ca -0.13 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 55.79 2dkh s PHE 345 Cb -0.15 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 2dkh s PHE 345 CO 0.04 0.45 -0.17 0.96 0.70 0.00 0.00 175.22 177.20 2dkh s ILE 346 N -2.54 1.32 0.08 0.64 -4.36 -0.23 0.09 121.20 116.20 2dkh s ILE 346 Ca 0.22 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.78 2dkh s ILE 346 Cb -0.04 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 2dkh s ILE 346 CO 0.09 0.26 -0.06 0.00 0.24 0.00 0.00 174.94 175.47 2dkh s ALA 347 N -0.55 0.84 0.00 2.27 0.00 -0.16 -4.82 121.76 119.33 2dkh s ALA 347 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2dkh s ALA 347 Cb -0.07 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2dkh s ALA 347 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2dkh n GLY 348 N 0.25 0.49 0.34 0.00 0.00 -1.26 -3.34 105.19 101.68 2dkh n GLY 348 Ca -0.14 -0.84 0.20 0.00 0.00 0.00 0.00 46.02 45.24 2dkh n GLY 348 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dkh h ASP 349 N 8.64 0.00 0.24 1.61 5.19 -1.88 -0.56 116.42 129.67 2dkh h ASP 349 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2dkh h ASP 349 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2dkh h ASP 349 CO 0.00 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 176.07 2dkh h ALA 350 N 1.75 1.27 0.00 3.45 0.00 -1.54 -3.25 119.26 120.95 2dkh h ALA 350 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dkh h ALA 350 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dkh h ALA 350 CO -0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2dkh s HIS 352 N -0.41 -1.09 -0.15 0.00 0.00 -0.93 -0.49 115.29 112.22 2dkh s HIS 352 Ca 0.00 2.01 0.01 0.00 -3.00 0.00 0.00 55.06 54.08 2dkh s HIS 352 Cb 0.00 0.65 0.00 0.00 -4.00 0.00 0.00 32.58 29.24 2dkh s HIS 352 CO 0.00 -0.54 -0.18 0.95 -1.00 0.00 0.00 174.74 173.97 2dkh s THR 353 N 2.24 2.42 -0.11 -5.38 -4.23 -0.16 -3.94 115.64 106.48 2dkh s THR 353 Ca -0.07 -0.86 -0.05 0.00 -1.18 0.00 0.00 61.69 59.54 2dkh s THR 353 Cb -0.08 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 2dkh s THR 353 CO -0.19 0.53 0.07 -1.00 -0.54 0.00 0.00 174.62 173.49 2dkh s HIS 354 N 0.82 3.38 0.75 3.99 3.76 -1.26 -1.90 115.29 124.82 2dkh s HIS 354 Ca -0.06 0.35 -0.15 0.00 -0.15 0.00 0.00 55.06 55.05 2dkh s HIS 354 Cb -0.15 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.67 2dkh s HIS 354 CO -0.01 0.58 0.88 -1.13 -0.85 0.00 0.00 174.74 174.22 2dkh n SER 355 N 2.13 0.07 0.17 1.40 3.41 -1.26 -4.83 113.62 114.71 2dkh n SER 355 Ca -0.19 0.62 0.16 0.00 -0.26 0.00 0.00 58.87 59.20 2dkh n SER 355 Cb 0.54 -1.37 0.77 0.00 -0.26 0.00 0.00 64.21 63.89 2dkh n SER 355 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2dkh h PRO 356 N -0.47 0.00 -0.47 4.33 0.11 -1.95 0.03 132.00 133.57 2dkh h PRO 356 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2dkh h PRO 356 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 2dkh h PRO 356 CO 0.45 0.00 -0.00 0.87 -0.21 0.00 0.00 178.00 179.11 2dkh h LYS 357 N 0.00 0.78 -1.03 1.05 1.57 -1.98 -2.83 116.57 114.14 2dkh h LYS 357 Ca 0.11 -0.21 0.26 0.00 -1.87 0.00 0.00 60.65 58.94 2dkh h LYS 357 Cb 0.52 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 2dkh h LYS 357 CO -0.00 0.79 0.67 0.00 -0.57 0.00 0.00 179.45 180.34 2dkh h ALA 358 N 1.27 2.30 -0.74 3.86 0.00 -1.30 -3.45 119.26 121.19 2dkh h ALA 358 Ca 0.14 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2dkh h ALA 358 Cb 0.45 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2dkh h ALA 358 CO 0.02 -0.68 -0.20 0.41 0.00 0.00 0.00 179.25 178.79 2dkh n GLY 359 N -1.50 0.81 0.11 0.00 0.00 -1.07 -4.80 105.19 98.74 2dkh n GLY 359 Ca 0.24 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.73 2dkh n GLY 359 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dkh h GLN 360 N 0.00 0.00 0.00 1.61 1.08 -1.85 -3.46 115.11 112.48 2dkh h GLN 360 Ca -0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 2dkh h GLN 360 Cb 0.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2dkh h GLN 360 CO 0.29 0.34 0.00 0.41 -0.95 0.00 0.00 178.83 178.92 2dkh n GLY 361 N 1.33 2.88 0.58 3.46 0.00 -1.26 -1.24 105.19 110.94 2dkh n GLY 361 Ca -0.06 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2dkh n GLY 361 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2dkh n MET 362 N 14.00 1.67 -0.02 1.61 0.00 -1.26 -4.49 117.12 128.62 2dkh n MET 362 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 57.70 56.42 2dkh n MET 362 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 33.22 31.69 2dkh n MET 362 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2dkh h ASN 363 N 2.85 0.16 -0.16 3.17 2.35 -1.43 -2.75 115.58 119.77 2dkh h ASN 363 Ca 0.00 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 55.56 2dkh h ASN 363 Cb 0.67 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2dkh h ASN 363 CO 0.00 0.20 -0.27 0.15 -1.65 0.00 0.00 177.43 175.86 2dkh h PHE 364 N 0.11 0.72 -0.73 1.19 3.57 -1.79 -2.94 116.94 117.07 2dkh h PHE 364 Ca 0.05 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.39 2dkh h PHE 364 Cb 0.07 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 2dkh h PHE 364 CO -0.04 0.84 0.47 0.77 -2.23 0.00 0.00 178.31 178.12 2dkh h SER 365 N 0.55 0.80 0.47 0.41 0.02 -1.81 -2.10 113.55 111.88 2dkh h SER 365 Ca 0.07 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2dkh h SER 365 Cb 0.75 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2dkh h SER 365 CO 0.06 0.57 -0.31 0.24 -1.14 0.00 0.00 176.83 176.25 2dkh h MET 366 N 0.95 0.00 0.00 3.45 2.86 -1.35 -2.01 114.93 118.83 2dkh h MET 366 Ca 0.28 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.86 2dkh h MET 366 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2dkh h MET 366 CO -0.08 0.31 -0.28 1.96 1.06 0.00 0.00 176.91 179.89 2dkh h GLN 367 N 0.00 0.00 -0.08 1.72 1.08 -1.22 -1.65 115.11 114.96 2dkh h GLN 367 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2dkh h GLN 367 Cb 0.63 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2dkh h GLN 367 CO 0.04 0.28 0.04 -0.44 -0.95 0.00 0.00 178.83 177.80 2dkh h ASP 368 N 0.00 0.10 -0.45 1.46 3.45 -1.07 -1.87 116.42 118.04 2dkh h ASP 368 Ca -0.00 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.29 2dkh h ASP 368 Cb 0.72 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 2dkh h ASP 368 CO 0.04 0.17 0.03 0.28 -1.57 0.00 0.00 179.24 178.19 2dkh h SER 369 N 0.03 0.81 0.56 6.45 0.02 -1.43 -2.15 113.55 117.83 2dkh h SER 369 Ca 0.03 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2dkh h SER 369 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2dkh h SER 369 CO -0.00 0.85 -0.26 0.15 -1.14 0.00 0.00 176.83 176.43 2dkh h PHE 370 N 0.79 0.00 -0.05 3.45 3.57 -1.16 0.40 116.94 123.95 2dkh h PHE 370 Ca 0.16 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2dkh h PHE 370 Cb 0.43 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.17 2dkh h PHE 370 CO 0.02 0.26 -0.34 -0.97 -2.23 0.00 0.00 178.31 175.06 2dkh h ASN 371 N 0.00 0.37 0.15 0.41 -0.73 -0.97 -3.37 115.58 111.45 2dkh h ASN 371 Ca -0.00 -0.69 -0.25 0.00 1.87 0.00 0.00 56.30 57.24 2dkh h ASN 371 Cb 0.60 -0.11 0.01 0.00 0.27 0.00 0.00 38.32 39.09 2dkh h ASN 371 CO 0.03 1.00 -0.99 0.25 -0.37 0.00 0.00 177.43 177.36 2dkh h LEU 372 N -0.23 0.74 -0.36 0.34 5.85 -1.04 -3.38 115.31 117.23 2dkh h LEU 372 Ca -0.03 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.15 2dkh h LEU 372 Cb 1.01 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2dkh h LEU 372 CO 0.07 1.39 -0.42 1.23 -0.34 0.00 0.00 178.44 180.36 2dkh h GLY 373 N 0.80 -1.26 2.00 3.75 0.00 -1.08 -1.30 103.07 105.98 2dkh h GLY 373 Ca -0.10 0.77 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 2dkh h GLY 373 CO 0.18 -0.27 -0.10 0.11 0.00 0.00 0.00 176.54 176.47 2dkh h TRP 374 N -0.26 0.00 -0.22 5.60 5.08 -1.77 -1.96 115.95 122.41 2dkh h TRP 374 Ca 0.06 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.94 2dkh h TRP 374 Cb 0.43 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.59 2dkh h TRP 374 CO -0.73 0.10 -0.21 0.87 -1.28 0.00 0.00 178.44 177.18 2dkh h LYS 375 N 0.00 0.53 -0.63 0.12 1.57 -1.56 -0.83 116.57 115.77 2dkh h LYS 375 Ca -0.00 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2dkh h LYS 375 Cb 0.17 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2dkh h LYS 375 CO 0.01 0.86 0.31 -0.07 -0.57 0.00 0.00 179.45 180.00 2dkh h LEU 376 N 0.22 0.82 -0.49 2.94 3.38 -0.95 -1.25 115.31 119.98 2dkh h LEU 376 Ca 0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2dkh h LEU 376 Cb 0.76 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2dkh h LEU 376 CO 0.05 0.71 0.20 0.00 0.09 0.00 0.00 178.44 179.50 2dkh h ALA 377 N 1.14 0.64 -0.60 1.53 0.00 -1.27 -0.29 119.26 120.41 2dkh h ALA 377 Ca 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dkh h ALA 377 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2dkh h ALA 377 CO -0.03 0.24 0.17 0.00 0.00 0.00 0.00 179.25 179.63 2dkh h ALA 378 N 1.05 0.79 -0.31 0.00 0.00 -0.89 -1.34 119.26 118.56 2dkh h ALA 378 Ca 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2dkh h ALA 378 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2dkh h ALA 378 CO -0.01 0.48 -0.05 0.28 0.00 0.00 0.00 179.25 179.95 2dkh h VAL 379 N 0.86 1.27 -0.40 0.00 2.07 -1.04 0.53 116.25 119.55 2dkh h VAL 379 Ca 0.19 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2dkh h VAL 379 Cb 0.32 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2dkh h VAL 379 CO -0.00 0.34 0.14 -0.07 0.02 0.00 0.00 177.57 178.00 2dkh h LEU 380 N 0.35 0.52 -0.25 2.57 3.38 -0.92 -1.23 115.31 119.73 2dkh h LEU 380 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dkh h LEU 380 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2dkh h LEU 380 CO 0.03 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.59 2dkh n ARG 381 N -4.36 1.17 -2.21 1.13 1.74 -0.52 -4.89 116.66 108.71 2dkh n ARG 381 Ca 0.03 -0.25 -0.18 0.00 -0.77 0.00 0.00 57.85 56.68 2dkh n ARG 381 Cb 0.16 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 2dkh n ARG 381 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2dkh n LYS 382 N -0.63 -1.43 0.05 5.56 4.76 -0.46 -4.87 118.16 121.14 2dkh n LYS 382 Ca 0.19 0.93 0.11 0.00 -2.87 0.00 0.00 58.31 56.67 2dkh n LYS 382 Cb 0.15 -5.40 -0.07 0.00 -1.84 0.00 0.00 35.03 27.86 2dkh n LYS 382 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2dkh n GLN 383 N -2.71 0.61 -4.04 1.97 6.02 0.14 -4.60 117.38 114.77 2dkh n GLN 383 Ca -0.21 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.64 2dkh n GLN 383 Cb 0.65 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 30.11 2dkh n GLN 383 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dkh s ALA 385 N -1.40 3.18 0.59 0.00 0.00 0.55 -4.28 121.76 120.39 2dkh s ALA 385 Ca -0.11 1.19 0.29 0.00 0.00 0.00 0.00 51.96 53.32 2dkh s ALA 385 Cb -0.10 -3.47 1.62 0.00 0.00 0.00 0.00 23.12 21.17 2dkh s ALA 385 CO 0.00 -0.83 2.07 -1.35 0.00 0.00 0.00 175.76 175.65 2dkh h PRO 386 N 2.50 0.00 -0.07 0.00 0.11 -1.91 -0.73 132.00 131.90 2dkh h PRO 386 Ca -0.50 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2dkh h PRO 386 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2dkh h PRO 386 CO 0.62 0.00 0.12 0.93 -0.21 0.00 0.00 178.00 179.46 2dkh h GLU 387 N 0.00 0.00 -0.73 1.05 3.07 -1.96 -0.35 114.58 115.67 2dkh h GLU 387 Ca 0.11 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.08 2dkh h GLU 387 Cb 0.59 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 2dkh h GLU 387 CO -0.00 0.00 0.48 1.25 -1.40 0.00 0.00 179.01 179.34 2dkh h LEU 388 N 0.00 0.51 -2.62 1.33 5.85 -1.49 -1.67 115.31 117.22 2dkh h LEU 388 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2dkh h LEU 388 Cb 0.27 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2dkh h LEU 388 CO -0.00 0.29 0.00 -0.07 -0.34 0.00 0.00 178.44 178.33 2dkh h LEU 389 N 0.56 0.00 -1.81 2.25 3.38 -1.26 -1.20 115.31 117.23 2dkh h LEU 389 Ca 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 2dkh h LEU 389 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dkh h LEU 389 CO -0.12 0.00 -0.14 0.45 0.09 0.00 0.00 178.44 178.72 2dkh h HIS 390 N 0.00 0.00 0.00 1.13 3.86 -1.48 -2.59 115.15 116.07 2dkh h HIS 390 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2dkh h HIS 390 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2dkh h HIS 390 CO 0.00 0.14 0.00 1.79 0.86 0.00 0.00 177.93 180.72 2dkh h THR 391 N 0.00 0.00 0.76 2.45 1.35 -1.38 -2.83 112.91 113.26 2dkh h THR 391 Ca -0.00 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 2dkh h THR 391 Cb 0.28 1.14 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2dkh h THR 391 CO 0.02 0.00 -0.37 0.22 -0.25 0.00 0.00 175.52 175.14 2dkh h TYR 392 N 0.00 -0.95 -0.25 4.73 3.20 -1.62 -1.42 116.97 120.67 2dkh h TYR 392 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2dkh h TYR 392 Cb 0.37 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2dkh h TYR 392 CO 0.00 -0.57 0.13 1.03 -1.64 0.00 0.00 178.16 177.11 2dkh h SER 393 N -1.19 0.32 -0.26 -2.11 0.87 -1.72 -0.10 113.55 109.35 2dkh h SER 393 Ca -0.10 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2dkh h SER 393 Cb 0.80 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2dkh h SER 393 CO 0.17 0.33 0.15 0.77 -0.53 0.00 0.00 176.83 177.72 2dkh h SER 394 N 0.28 0.34 0.00 6.23 4.64 -1.55 0.25 113.55 123.74 2dkh h SER 394 Ca 0.09 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2dkh h SER 394 Cb 0.09 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dkh h SER 394 CO -0.01 0.28 -0.23 -0.33 -0.87 0.00 0.00 176.83 175.67 2dkh h GLU 395 N 0.39 0.00 -0.24 4.77 5.08 -1.10 -3.32 114.58 120.16 2dkh h GLU 395 Ca 0.10 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2dkh h GLU 395 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2dkh h GLU 395 CO -0.02 0.53 -0.42 0.00 -1.00 0.00 0.00 179.01 178.10 2dkh h ARG 396 N -1.00 0.59 -0.29 2.33 2.47 -0.97 -2.64 114.38 114.87 2dkh h ARG 396 Ca -0.05 -0.31 -0.10 0.00 -1.26 0.00 0.00 59.98 58.26 2dkh h ARG 396 Cb 0.63 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2dkh h ARG 396 CO -0.03 0.91 -0.20 0.37 0.56 0.00 0.00 179.97 181.58 2dkh h GLN 397 N 0.48 0.65 -0.18 0.04 -0.00 -1.12 -2.66 115.11 112.32 2dkh h GLN 397 Ca 0.04 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.65 58.37 2dkh h GLN 397 Cb 0.94 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.40 2dkh h GLN 397 CO 0.08 0.91 0.10 0.28 0.00 0.00 0.00 178.83 180.20 2dkh h VAL 398 N 0.40 1.10 0.00 2.39 2.07 -1.65 -0.67 116.25 119.90 2dkh h VAL 398 Ca 0.06 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2dkh h VAL 398 Cb 0.74 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2dkh h VAL 398 CO 0.05 0.10 -0.33 -0.37 0.02 0.00 0.00 177.57 177.05 2dkh h VAL 399 N 0.20 0.95 -0.15 2.57 -1.51 -1.51 -0.00 116.25 116.79 2dkh h VAL 399 Ca 0.06 -1.25 -0.20 0.00 -1.23 0.00 0.00 66.70 64.08 2dkh h VAL 399 Cb 0.07 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 2dkh h VAL 399 CO -0.01 0.32 -0.72 0.00 -1.23 0.00 0.00 177.57 175.93 2dkh h ALA 400 N 1.67 0.44 -0.34 5.19 0.00 -1.20 -1.70 119.26 123.33 2dkh h ALA 400 Ca -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 2dkh h ALA 400 Cb 0.71 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2dkh h ALA 400 CO 0.04 0.71 -0.36 0.37 0.00 0.00 0.00 179.25 180.01 2dkh h GLN 401 N 0.47 0.84 -0.35 0.00 5.75 -0.74 -1.85 115.11 119.23 2dkh h GLN 401 Ca -0.03 -0.45 -0.04 0.00 -0.15 0.00 0.00 58.65 57.98 2dkh h GLN 401 Cb 1.33 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.88 2dkh h GLN 401 CO 0.14 1.09 0.06 1.96 -2.65 0.00 0.00 178.83 179.43 2dkh h GLN 402 N 0.63 0.52 -0.58 1.69 4.20 -0.98 0.88 115.11 121.47 2dkh h GLN 402 Ca 0.05 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 2dkh h GLN 402 Cb 0.95 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 2dkh h GLN 402 CO 0.09 0.50 -0.04 1.25 -0.67 0.00 0.00 178.83 179.96 2dkh h LEU 403 N 0.51 1.03 -0.43 1.46 5.85 -1.06 -1.49 115.31 121.18 2dkh h LEU 403 Ca 0.12 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 2dkh h LEU 403 Cb 0.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2dkh h LEU 403 CO 0.00 1.11 -0.02 0.40 -0.34 0.00 0.00 178.44 179.59 2dkh h ILE 404 N 0.93 1.26 -0.80 4.05 2.04 -0.62 -0.72 117.51 123.66 2dkh h ILE 404 Ca 0.16 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 65.00 2dkh h ILE 404 Cb 0.60 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2dkh h ILE 404 CO 0.04 0.36 0.49 0.44 0.00 0.00 0.00 178.15 179.49 2dkh h ASP 405 N 0.60 0.79 -0.18 1.72 3.32 -0.59 0.36 116.42 122.43 2dkh h ASP 405 Ca 0.12 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2dkh h ASP 405 Cb 0.52 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2dkh h ASP 405 CO 0.03 0.52 -0.02 0.15 -1.72 0.00 0.00 179.24 178.19 2dkh h PHE 406 N 0.92 0.36 0.00 4.55 3.04 -1.01 -2.63 116.94 122.18 2dkh h PHE 406 Ca 0.34 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2dkh h PHE 406 Cb 0.11 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.53 2dkh h PHE 406 CO -0.04 0.56 0.00 -0.25 -2.02 0.00 0.00 178.31 176.56 2dkh n ASP 407 N -4.69 0.00 0.04 0.41 10.43 -0.30 -0.37 116.55 122.06 2dkh n ASP 407 Ca -0.05 0.45 -0.18 0.00 2.57 0.00 0.00 54.79 57.57 2dkh n ASP 407 Cb 0.25 -0.48 -0.09 0.00 1.84 0.00 0.00 41.12 42.64 2dkh n ASP 407 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 2dkh h ARG 408 N 0.00 0.67 0.01 -1.24 2.47 0.08 -3.22 114.38 113.15 2dkh h ARG 408 Ca 0.00 -0.68 -0.31 0.00 -1.26 0.00 0.00 59.98 57.72 2dkh h ARG 408 Cb 0.32 0.19 -0.05 0.00 -1.65 0.00 0.00 29.97 28.77 2dkh h ARG 408 CO 0.00 1.27 -1.90 0.39 0.56 0.00 0.00 179.97 180.30 2dkh n GLU 409 N -3.85 0.65 0.00 0.04 -0.58 -0.98 -3.71 120.64 112.21 2dkh n GLU 409 Ca -0.10 0.22 0.01 0.00 -0.42 0.00 0.00 57.16 56.87 2dkh n GLU 409 Cb 0.85 -1.72 0.04 0.00 -0.57 0.00 0.00 31.44 30.04 2dkh n GLU 409 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2dkh n TRP 410 N -2.99 0.00 -2.80 -0.32 -0.00 0.50 -4.04 117.44 107.79 2dkh n TRP 410 Ca -0.22 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 56.85 2dkh n TRP 410 Cb 1.08 -0.47 -0.01 0.00 -0.00 0.00 0.00 31.31 31.90 2dkh n TRP 410 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2dkh s ALA 411 N -2.95 3.41 0.00 5.87 0.00 -1.21 -5.04 121.76 121.85 2dkh s ALA 411 Ca 0.01 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.10 2dkh s ALA 411 Cb 0.01 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2dkh s ALA 411 CO 0.03 -3.11 0.00 1.17 0.00 0.00 0.00 175.76 173.85 2dkh n LYS 412 N 7.09 0.00 0.00 0.00 4.81 -1.26 -5.05 118.16 123.76 2dkh n LYS 412 Ca 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2dkh n LYS 412 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 2dkh n LYS 412 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dkh n ASP 427 N 0.00 -0.02 0.16 3.14 2.03 -1.26 -5.20 116.55 115.40 2dkh n ASP 427 Ca 0.00 0.01 0.06 0.00 0.52 0.00 0.00 54.79 55.38 2dkh n ASP 427 Cb 0.00 0.13 0.53 0.00 -0.72 0.00 0.00 41.12 41.07 2dkh n ASP 427 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dkh h PRO 428 N 0.00 0.19 0.00 -0.67 0.13 -2.06 0.16 132.00 129.75 2dkh h PRO 428 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2dkh h PRO 428 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2dkh h PRO 428 CO 0.00 0.17 -0.42 1.17 -0.23 0.00 0.00 178.00 178.69 2dkh n LYS 429 N -4.47 0.22 0.06 0.86 4.81 -1.26 -3.09 118.16 115.28 2dkh n LYS 429 Ca -0.01 0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.43 2dkh n LYS 429 Cb 0.11 -1.67 -0.13 0.00 0.02 0.00 0.00 35.03 33.37 2dkh n LYS 429 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2dkh h GLU 430 N 0.00 0.07 -0.31 1.64 4.57 -1.23 -2.80 114.58 116.52 2dkh h GLU 430 Ca 0.00 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 57.91 2dkh h GLU 430 Cb 0.69 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2dkh h GLU 430 CO 0.00 1.00 -0.40 0.35 -1.18 0.00 0.00 179.01 178.77 2dkh h PHE 431 N 0.02 1.00 -0.24 0.92 3.04 -0.94 -1.87 116.94 118.87 2dkh h PHE 431 Ca -0.08 -0.32 -0.05 0.00 3.98 0.00 0.00 57.97 61.49 2dkh h PHE 431 Cb 1.85 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 40.15 2dkh h PHE 431 CO 0.02 1.12 -0.08 0.37 -2.02 0.00 0.00 178.31 177.72 2dkh h GLN 432 N 0.59 0.37 -0.42 1.11 5.75 -1.59 0.21 115.11 121.14 2dkh h GLN 432 Ca 0.04 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 2dkh h GLN 432 Cb 1.00 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.48 2dkh h GLN 432 CO 0.10 0.47 0.02 -0.22 -2.65 0.00 0.00 178.83 176.54 2dkh h LYS 433 N 0.36 0.73 -0.21 1.69 3.64 -1.21 0.92 116.57 122.49 2dkh h LYS 433 Ca 0.07 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2dkh h LYS 433 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2dkh h LYS 433 CO 0.02 0.79 -0.33 1.88 -2.27 0.00 0.00 179.45 179.54 2dkh h TYR 434 N 0.57 0.50 -0.48 1.91 0.05 -0.73 -1.50 116.97 117.28 2dkh h TYR 434 Ca 0.12 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 2dkh h TYR 434 Cb 0.45 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2dkh h TYR 434 CO 0.03 0.72 0.01 0.35 -1.05 0.00 0.00 178.16 178.23 2dkh h PHE 435 N 0.37 0.92 -0.48 4.88 3.04 -0.12 0.22 116.94 125.77 2dkh h PHE 435 Ca 0.04 -0.15 -0.10 0.00 3.98 0.00 0.00 57.97 61.74 2dkh h PHE 435 Cb 0.77 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 2dkh h PHE 435 CO 0.02 0.86 -0.10 1.49 -2.02 0.00 0.00 178.31 178.57 2dkh h GLU 436 N 0.70 0.91 -0.44 1.11 4.81 -0.62 -2.06 114.58 118.99 2dkh h GLU 436 Ca 0.14 -0.34 -0.12 0.00 -0.13 0.00 0.00 59.36 58.90 2dkh h GLU 436 Cb 0.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2dkh h GLU 436 CO 0.02 0.99 -0.21 0.37 -0.73 0.00 0.00 179.01 179.45 2dkh h GLN 437 N 0.76 0.90 -0.86 1.92 5.75 -1.16 -2.24 115.11 120.18 2dkh h GLN 437 Ca 0.12 -0.37 0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2dkh h GLN 437 Cb 0.64 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 2dkh h GLN 437 CO 0.04 1.02 0.56 1.25 -2.65 0.00 0.00 178.83 179.06 2dkh h HIS 438 N 0.78 1.03 -0.65 3.99 2.76 -0.82 -0.18 115.15 122.06 2dkh h HIS 438 Ca 0.10 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 2dkh h HIS 438 Cb 0.76 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 2dkh h HIS 438 CO 0.05 0.59 0.11 0.78 -1.30 0.00 0.00 177.93 178.15 2dkh h GLY 439 N 1.06 1.15 1.11 5.26 0.00 -0.81 0.19 103.07 111.04 2dkh h GLY 439 Ca 0.34 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 2dkh h GLY 439 CO -0.10 0.71 -0.22 3.21 0.00 0.00 0.00 176.54 180.14 2dkh h ARG 440 N 0.99 1.00 -0.29 4.80 3.08 -0.84 -1.52 114.38 121.60 2dkh h ARG 440 Ca 0.20 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 2dkh h ARG 440 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2dkh h ARG 440 CO 0.01 1.11 -0.02 0.74 -1.07 0.00 0.00 179.97 180.74 2dkh h PHE 441 N 0.86 0.58 0.00 3.04 0.04 -0.79 -2.52 116.94 118.14 2dkh h PHE 441 Ca 0.11 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2dkh h PHE 441 Cb 0.80 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2dkh h PHE 441 CO 0.05 0.69 -0.29 1.79 -0.60 0.00 0.00 178.31 179.95 2dkh h THR 442 N 0.30 0.83 0.00 -1.55 1.35 -0.59 -1.10 112.91 112.16 2dkh h THR 442 Ca 0.08 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2dkh h THR 442 Cb 0.47 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2dkh h THR 442 CO 0.02 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 175.57 2dkh n ALA 443 N -2.32 2.33 -0.99 6.62 0.00 -0.58 -4.76 120.51 120.81 2dkh n ALA 443 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2dkh n ALA 443 Cb 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2dkh n ALA 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkh n GLY 444 N 1.02 0.56 1.47 0.00 0.00 -0.42 -1.15 105.19 106.67 2dkh n GLY 444 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2dkh n GLY 444 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dkh n VAL 445 N -2.75 1.61 0.92 1.61 0.24 -0.97 -4.36 118.33 114.62 2dkh n VAL 445 Ca 0.00 -1.16 0.12 0.00 -2.04 0.00 0.00 64.34 61.25 2dkh n VAL 445 Cb 0.03 0.23 0.16 0.00 -1.47 0.00 0.00 33.84 32.79 2dkh n VAL 445 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dkh n GLY 446 N 1.18 -1.22 3.68 7.63 0.00 -1.20 -4.83 105.19 110.43 2dkh n GLY 446 Ca 0.25 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 2dkh n GLY 446 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dkh n THR 447 N -1.60 0.14 -3.52 2.61 -1.04 -1.26 -4.95 114.28 104.66 2dkh n THR 447 Ca 0.05 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.05 61.76 2dkh n THR 447 Cb 0.35 -1.76 -0.14 0.00 -1.82 0.00 0.00 70.33 66.96 2dkh n THR 447 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2dkh s HIS 448 N 1.70 0.17 0.29 -1.42 5.04 -1.26 -4.25 115.29 115.57 2dkh s HIS 448 Ca 0.81 -0.73 -0.29 0.00 -1.54 0.00 0.00 55.06 53.30 2dkh s HIS 448 Cb -0.62 -0.81 -0.10 0.00 0.04 0.00 0.00 32.58 31.09 2dkh s HIS 448 CO 0.39 -0.84 1.16 0.71 -2.34 0.00 0.00 174.74 173.82 2dkh s TYR 449 N 2.15 3.42 0.66 3.88 2.02 0.19 -4.96 117.35 124.70 2dkh s TYR 449 Ca 0.09 1.60 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 2dkh s TYR 449 Cb -0.16 -3.40 -0.01 0.00 -0.40 0.00 0.00 41.96 37.99 2dkh s TYR 449 CO -0.35 -0.96 1.05 0.00 -1.57 0.00 0.00 175.55 173.72 2dkh s ALA 450 N -1.09 3.01 0.36 3.71 0.00 -1.26 -4.51 121.76 121.98 2dkh s ALA 450 Ca 0.46 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.90 2dkh s ALA 450 Cb -0.34 -3.01 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 2dkh s ALA 450 CO 0.44 -0.92 0.91 -2.30 0.00 0.00 0.00 175.76 173.90 2dkh n PRO 451 N -2.86 1.17 -0.31 0.00 -0.02 -1.26 -4.65 135.00 127.08 2dkh n PRO 451 Ca 0.06 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2dkh n PRO 451 Cb 0.56 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2dkh n PRO 451 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2dkh n SER 452 N 0.98 0.00 -0.36 2.55 3.41 -0.05 -4.89 113.62 115.26 2dkh n SER 452 Ca 0.10 -0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2dkh n SER 452 Cb 0.36 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.44 2dkh n SER 452 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2dkh h LEU 453 N 0.00 1.05 0.00 1.04 5.85 -2.02 -3.21 115.31 118.02 2dkh h LEU 453 Ca 0.00 -0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 2dkh h LEU 453 Cb 0.00 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2dkh h LEU 453 CO 0.00 0.71 -1.89 0.18 -0.34 0.00 0.00 178.44 177.10 2dkh n LEU 454 N -4.48 0.48 -4.55 2.25 4.77 -1.26 -4.94 117.00 109.28 2dkh n LEU 454 Ca 0.13 0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.99 2dkh n LEU 454 Cb 0.10 0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2dkh n LEU 454 CO 0.34 0.32 -0.30 -0.89 -1.33 0.00 0.00 177.39 175.54 2dkh s THR 455 N -2.74 4.35 1.05 -5.08 2.01 -1.21 -4.69 115.64 109.33 2dkh s THR 455 Ca -0.06 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.58 2dkh s THR 455 Cb 0.08 -2.95 0.22 0.00 0.01 0.00 0.00 72.50 69.87 2dkh s THR 455 CO 0.83 0.46 1.20 -0.83 -0.69 0.00 0.00 174.62 175.58 2dkh s GLY 456 N 0.54 1.66 0.10 4.40 0.00 -0.57 -0.87 107.32 112.58 2dkh s GLY 456 Ca 0.01 -0.96 0.26 0.00 0.00 0.00 0.00 44.72 44.03 2dkh s GLY 456 CO 0.02 -0.18 1.58 -1.06 0.00 0.00 0.00 173.10 173.46 2dkh n GLN 457 N -4.19 0.17 -2.06 2.90 6.02 -1.26 -4.35 117.38 114.61 2dkh n GLN 457 Ca 0.13 0.09 -0.07 0.00 -0.01 0.00 0.00 57.00 57.13 2dkh n GLN 457 Cb 0.59 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 2dkh n GLN 457 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dkh n ALA 458 N -1.69 -0.21 0.40 -1.58 0.00 -1.26 -4.92 120.51 111.25 2dkh n ALA 458 Ca 0.05 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.63 2dkh n ALA 458 Cb 0.40 -1.09 0.33 0.00 0.00 0.00 0.00 19.45 19.08 2dkh n ALA 458 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dkh n LYS 459 N -1.80 0.05 -0.59 0.00 5.02 -1.26 -1.78 118.16 117.80 2dkh n LYS 459 Ca -0.09 0.34 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 2dkh n LYS 459 Cb 0.54 -1.61 0.20 0.00 -0.02 0.00 0.00 35.03 34.14 2dkh n LYS 459 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2dkh n HIS 460 N -1.71 0.00 -0.10 2.13 8.25 -1.26 -4.80 115.22 117.74 2dkh n HIS 460 Ca 0.03 -1.45 0.07 0.00 -0.26 0.00 0.00 57.72 56.11 2dkh n HIS 460 Cb 0.16 -0.24 0.41 0.00 1.12 0.00 0.00 29.99 31.44 2dkh n HIS 460 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2dkh h GLN 461 N 0.94 0.59 0.00 -0.41 5.75 -1.62 -1.82 115.11 118.54 2dkh h GLN 461 Ca -0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2dkh h GLN 461 Cb 1.02 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.44 2dkh h GLN 461 CO 0.00 0.39 0.00 0.00 -2.65 0.00 0.00 178.83 176.57 2dkh n ALA 462 N -2.48 1.30 0.21 3.38 0.00 -1.26 -1.48 120.51 120.19 2dkh n ALA 462 Ca 0.08 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2dkh n ALA 462 Cb 0.21 -1.12 0.42 0.00 0.00 0.00 0.00 19.45 18.96 2dkh n ALA 462 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dkh h LEU 463 N 0.00 0.00 -5.26 0.00 3.38 -1.61 -3.38 115.31 108.44 2dkh h LEU 463 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2dkh h LEU 463 Cb 0.12 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.67 2dkh h LEU 463 CO 0.00 0.29 -0.60 0.00 0.09 0.00 0.00 178.44 178.22 2dkh n ALA 464 N -2.27 -0.85 0.31 1.53 0.00 -0.55 -0.41 120.51 118.26 2dkh n ALA 464 Ca -0.00 -1.54 0.19 0.00 0.00 0.00 0.00 53.44 52.08 2dkh n ALA 464 Cb 0.45 -1.32 1.00 0.00 0.00 0.00 0.00 19.45 19.58 2dkh n ALA 464 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dkh h SER 465 N 4.82 0.00 0.15 0.00 4.64 -0.91 -2.05 113.55 120.20 2dkh h SER 465 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2dkh h SER 465 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dkh h SER 465 CO 0.16 0.02 -0.06 0.61 -0.87 0.00 0.00 176.83 176.69 2dkh n GLY 466 N -0.92 -0.66 2.73 -0.77 0.00 0.09 -4.25 105.19 101.41 2dkh n GLY 466 Ca -0.02 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 2dkh n GLY 466 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dkh n PHE 467 N -0.62 3.51 -1.69 1.61 3.72 -0.77 -4.71 117.46 118.50 2dkh n PHE 467 Ca 0.18 -4.13 -0.44 0.00 -0.05 0.00 0.00 57.45 53.01 2dkh n PHE 467 Cb 0.26 -0.70 -0.03 0.00 -0.94 0.00 0.00 39.48 38.07 2dkh n PHE 467 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2dkh n THR 468 N 1.49 0.25 -1.82 4.37 -1.04 -1.26 -4.91 114.28 111.36 2dkh n THR 468 Ca 0.25 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.79 2dkh n THR 468 Cb 0.38 -1.97 -0.03 0.00 -1.82 0.00 0.00 70.33 66.89 2dkh n THR 468 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2dkh s VAL 469 N 2.24 2.43 0.00 12.58 1.01 -1.26 -2.06 120.40 135.33 2dkh s VAL 469 Ca 0.81 0.23 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2dkh s VAL 469 Cb -0.54 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2dkh s VAL 469 CO 0.38 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2dkh n GLY 470 N 3.94 0.50 3.73 4.51 0.00 0.30 -4.78 105.19 113.38 2dkh n GLY 470 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2dkh n GLY 470 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkh s MET 471 N -0.84 2.35 0.63 1.61 1.00 -0.88 -0.64 119.30 122.53 2dkh s MET 471 Ca 0.00 -1.59 -0.18 0.00 0.00 0.00 0.00 55.69 53.92 2dkh s MET 471 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 34.83 32.66 2dkh s MET 471 CO 0.00 0.07 1.23 -0.98 0.00 0.00 0.00 175.02 175.34 2dkh s ARG 472 N -3.86 2.76 -0.47 2.03 1.04 -1.26 -0.72 118.95 118.47 2dkh s ARG 472 Ca 0.38 1.88 -0.28 0.00 -1.04 0.00 0.00 55.73 56.68 2dkh s ARG 472 Cb -0.02 -1.89 -0.02 0.00 -2.04 0.00 0.00 34.95 30.98 2dkh s ARG 472 CO 0.23 -1.39 1.77 0.12 -0.04 0.00 0.00 175.30 175.99 2dkh s PHE 473 N -1.59 1.82 -0.64 5.89 5.36 0.32 -4.73 117.98 124.41 2dkh s PHE 473 Ca 0.78 0.70 -0.27 0.00 -0.96 0.00 0.00 56.93 57.19 2dkh s PHE 473 Cb -0.32 -4.14 -0.00 0.00 -0.34 0.00 0.00 43.02 38.22 2dkh s PHE 473 CO 0.36 -2.53 1.62 -1.58 -1.46 0.00 0.00 175.22 171.63 2dkh s HIS 474 N 7.68 1.94 0.69 10.12 5.65 -1.26 -4.91 115.29 135.20 2dkh s HIS 474 Ca 0.71 0.47 -0.17 0.00 0.25 0.00 0.00 55.06 56.33 2dkh s HIS 474 Cb -0.17 -4.30 0.02 0.00 -1.18 0.00 0.00 32.58 26.95 2dkh s HIS 474 CO 0.28 -2.21 1.27 0.45 -0.65 0.00 0.00 174.74 173.87 2dkh s SER 475 N 6.19 4.32 0.06 9.88 0.15 -1.26 -4.93 113.70 128.10 2dkh s SER 475 Ca 0.55 2.55 -0.08 0.00 0.70 0.00 0.00 55.95 59.67 2dkh s SER 475 Cb -0.11 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2dkh s SER 475 CO 0.20 -2.19 0.18 0.00 1.20 0.00 0.00 173.24 172.62 2dkh s ALA 476 N -1.61 -0.26 0.53 5.45 0.00 -1.26 -4.89 121.76 119.72 2dkh s ALA 476 Ca 0.80 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 2dkh s ALA 476 Cb -0.35 0.35 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 2dkh s ALA 476 CO 0.43 -0.41 1.18 -1.25 0.00 0.00 0.00 175.76 175.71 2dkh s PRO 477 N -3.05 3.38 0.29 0.00 0.04 -1.26 -1.38 135.00 133.02 2dkh s PRO 477 Ca -0.01 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 2dkh s PRO 477 Cb 0.01 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2dkh s PRO 477 CO -0.07 -0.87 0.43 0.14 0.04 0.00 0.00 177.00 176.68 2dkh s VAL 478 N -1.60 0.00 -0.12 -0.36 -7.23 -0.14 -4.38 120.40 106.56 2dkh s VAL 478 Ca 0.71 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 2dkh s VAL 478 Cb -0.29 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2dkh s VAL 478 CO 0.33 0.00 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.25 2dkh s VAL 479 N -3.56 1.75 0.02 1.32 1.01 0.96 -1.31 120.40 120.60 2dkh s VAL 479 Ca 0.29 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2dkh s VAL 479 Cb 0.01 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2dkh s VAL 479 CO 0.15 0.49 1.26 -0.60 0.00 0.00 0.00 175.10 176.40 2dkh s ARG 480 N 0.90 4.37 0.23 2.72 3.52 0.02 -0.84 118.95 129.87 2dkh s ARG 480 Ca -0.07 1.81 -0.04 0.00 -0.13 0.00 0.00 55.73 57.31 2dkh s ARG 480 Cb -0.15 -3.45 0.24 0.00 -1.56 0.00 0.00 34.95 30.03 2dkh s ARG 480 CO -0.02 -0.40 1.69 0.28 -0.81 0.00 0.00 175.30 176.05 2dkh h VAL 481 N 4.72 1.26 0.00 7.11 2.07 -1.65 0.23 116.25 129.99 2dkh h VAL 481 Ca -0.39 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2dkh h VAL 481 Cb 1.19 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2dkh h VAL 481 CO 0.86 0.40 -0.06 0.00 0.02 0.00 0.00 177.57 178.78 2dkh n ASP 483 N -4.04 0.00 -1.63 0.00 3.85 -1.19 -5.02 116.55 108.53 2dkh n ASP 483 Ca -0.03 -1.14 -0.19 0.00 -0.71 0.00 0.00 54.79 52.72 2dkh n ASP 483 Cb 0.15 -0.03 -0.07 0.00 -1.35 0.00 0.00 41.12 39.82 2dkh n ASP 483 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2dkh n ALA 484 N 0.00 -0.35 -2.47 2.12 0.00 0.82 -4.96 120.51 115.67 2dkh n ALA 484 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 2dkh n ALA 484 Cb 0.53 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 2dkh n ALA 484 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dkh s LYS 485 N -3.90 4.50 -0.01 0.00 2.20 -1.22 -4.67 119.74 116.64 2dkh s LYS 485 Ca 0.00 1.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 2dkh s LYS 485 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 2dkh s LYS 485 CO 0.00 -0.14 1.12 -2.14 -0.36 0.00 0.00 175.35 173.82 2dkh s PRO 486 N 0.86 4.44 0.19 4.03 0.02 -1.26 -0.80 135.00 142.48 2dkh s PRO 486 Ca 0.55 1.60 -0.05 0.00 0.02 0.00 0.00 61.00 63.13 2dkh s PRO 486 Cb -0.27 -3.46 -0.03 0.00 0.02 0.00 0.00 34.50 30.77 2dkh s PRO 486 CO 0.29 -0.26 0.21 0.14 -0.33 0.00 0.00 177.00 177.06 2dkh s VAL 487 N 1.49 0.03 -0.26 3.83 -7.23 -0.42 -4.96 120.40 112.87 2dkh s VAL 487 Ca 0.55 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.81 2dkh s VAL 487 Cb -0.24 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2dkh s VAL 487 CO 0.25 -0.14 0.37 -1.10 -0.31 0.00 0.00 175.10 174.17 2dkh s GLN 488 N -4.08 4.03 0.26 4.82 -1.52 -1.26 -0.97 119.66 120.94 2dkh s GLN 488 Ca 0.29 0.05 -0.02 0.00 -1.95 0.00 0.00 55.36 53.73 2dkh s GLN 488 Cb 0.05 -3.65 0.49 0.00 -0.22 0.00 0.00 33.01 29.68 2dkh s GLN 488 CO 0.07 -0.26 1.80 1.25 -0.25 0.00 0.00 175.29 177.91 2dkh h LEU 489 N 8.52 0.70 -0.94 2.90 5.85 -1.55 -0.66 115.31 130.13 2dkh h LEU 489 Ca -0.32 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2dkh h LEU 489 Cb 1.16 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2dkh h LEU 489 CO 0.65 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.72 2dkh n GLY 490 N -1.33 -1.08 0.00 3.75 0.00 -1.26 -1.90 105.19 103.37 2dkh n GLY 490 Ca 0.16 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.42 2dkh n GLY 490 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dkh n HIS 491 N -2.20 0.00 0.19 1.61 8.25 -0.25 -1.43 115.22 121.38 2dkh n HIS 491 Ca 0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2dkh n HIS 491 Cb 0.14 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.53 2dkh n HIS 491 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dkh s GLY 493 N -4.35 1.47 0.39 0.00 0.00 -0.52 -4.98 107.32 99.33 2dkh s GLY 493 Ca 0.02 -2.57 -0.00 0.00 0.00 0.00 0.00 44.72 42.17 2dkh s GLY 493 CO 0.68 2.66 0.61 0.54 0.00 0.00 0.00 173.10 177.59 2dkh s LYS 494 N 4.49 3.34 -1.58 2.90 -0.14 -1.26 -4.57 119.74 122.92 2dkh s LYS 494 Ca 0.48 -0.35 -0.10 0.00 -1.36 0.00 0.00 55.97 54.64 2dkh s LYS 494 Cb 0.01 -2.60 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 2dkh s LYS 494 CO -0.03 -0.03 2.80 0.00 -0.76 0.00 0.00 175.35 177.33 2dkh n ALA 495 N -1.93 7.17 -0.41 5.17 0.00 -0.12 -4.35 120.51 126.04 2dkh n ALA 495 Ca -0.02 -3.63 0.05 0.00 0.00 0.00 0.00 53.44 49.83 2dkh n ALA 495 Cb 0.57 -3.36 0.11 0.00 0.00 0.00 0.00 19.45 16.76 2dkh n ALA 495 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2dkh n ASP 496 N 3.90 2.62 0.00 0.00 3.85 -1.26 -4.93 116.55 120.73 2dkh n ASP 496 Ca 0.73 -2.37 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 2dkh n ASP 496 Cb 0.26 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 2dkh n ASP 496 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dkh n GLY 497 N -0.40 0.95 3.85 6.12 0.00 -1.26 -5.02 105.19 109.43 2dkh n GLY 497 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2dkh n GLY 497 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dkh s ARG 498 N -0.04 4.01 0.39 1.61 0.52 -1.26 -4.74 118.95 119.44 2dkh s ARG 498 Ca 0.00 0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 55.65 2dkh s ARG 498 Cb 0.00 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.72 2dkh s ARG 498 CO 0.00 0.30 0.83 -1.58 0.02 0.00 0.00 175.30 174.87 2dkh s TRP 499 N -1.76 3.38 -0.03 -0.53 0.52 -0.48 -3.65 118.94 116.39 2dkh s TRP 499 Ca 0.48 1.34 0.06 0.00 0.02 0.00 0.00 56.10 57.99 2dkh s TRP 499 Cb -0.13 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 2dkh s TRP 499 CO 0.19 -0.05 -0.20 1.03 0.02 0.00 0.00 176.95 177.94 2dkh s ARG 500 N -3.30 2.28 -0.30 4.98 3.00 0.53 -0.26 118.95 125.87 2dkh s ARG 500 Ca 0.57 -0.83 0.03 0.00 0.00 0.00 0.00 55.73 55.49 2dkh s ARG 500 Cb -0.10 -2.21 0.08 0.00 0.00 0.00 0.00 34.95 32.72 2dkh s ARG 500 CO 0.20 0.59 -0.00 -0.51 0.00 0.00 0.00 175.30 175.57 2dkh s LEU 501 N -0.78 3.92 -0.45 2.53 1.43 0.06 -0.76 118.68 124.63 2dkh s LEU 501 Ca 0.11 -1.79 -0.18 0.00 -1.03 0.00 0.00 54.13 51.25 2dkh s LEU 501 Cb -0.10 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2dkh s LEU 501 CO 0.00 -0.31 0.49 -0.31 0.23 0.00 0.00 176.35 176.45 2dkh s TYR 502 N 1.08 3.14 -0.34 0.29 2.02 -0.25 -0.78 117.35 122.51 2dkh s TYR 502 Ca 0.03 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 2dkh s TYR 502 Cb -0.19 -3.10 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 2dkh s TYR 502 CO -0.08 -0.80 0.19 0.00 -1.57 0.00 0.00 175.55 173.29 2dkh s ALA 503 N 2.26 3.33 -0.35 3.71 0.00 -0.21 -0.60 121.76 129.90 2dkh s ALA 503 Ca 0.13 -1.51 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 2dkh s ALA 503 Cb -0.18 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 2dkh s ALA 503 CO 0.13 -1.10 0.45 -0.06 0.00 0.00 0.00 175.76 175.18 2dkh s PHE 504 N 1.62 3.19 0.54 0.00 0.40 0.21 -0.27 117.98 123.66 2dkh s PHE 504 Ca 0.04 0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.22 2dkh s PHE 504 Cb -0.18 -2.83 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 2dkh s PHE 504 CO 0.07 -0.51 1.18 0.00 0.70 0.00 0.00 175.22 176.66 2dkh s ALA 505 N 2.23 2.72 0.69 5.36 0.00 -0.09 -1.03 121.76 131.63 2dkh s ALA 505 Ca 0.15 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 2dkh s ALA 505 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2dkh s ALA 505 CO 0.13 -0.91 1.06 0.00 0.00 0.00 0.00 175.76 176.04 2dkh s ALA 506 N -1.63 2.71 0.25 0.00 0.00 -1.26 -4.52 121.76 117.31 2dkh s ALA 506 Ca 0.72 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 2dkh s ALA 506 Cb -0.28 -3.17 0.47 0.00 0.00 0.00 0.00 23.12 20.14 2dkh s ALA 506 CO 0.32 -1.17 1.68 0.37 0.00 0.00 0.00 175.76 176.95 2dkh h GLN 507 N -0.66 0.24 -0.57 0.00 5.75 -1.08 -1.91 115.11 116.88 2dkh h GLN 507 Ca -0.44 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2dkh h GLN 507 Cb 1.21 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2dkh h GLN 507 CO 0.57 0.16 0.00 0.09 -2.65 0.00 0.00 178.83 177.00 2dkh n ASN 508 N -5.18 3.14 -0.33 -0.69 3.02 -1.26 -4.56 115.26 109.40 2dkh n ASN 508 Ca 0.14 -2.10 -0.04 0.00 -0.03 0.00 0.00 54.58 52.56 2dkh n ASN 508 Cb 0.47 -0.40 0.08 0.00 -0.61 0.00 0.00 39.78 39.32 2dkh n ASN 508 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2dkh h ASP 509 N 3.16 1.11 -0.54 6.41 3.45 -1.61 0.16 116.42 128.56 2dkh h ASP 509 Ca 0.00 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.29 2dkh h ASP 509 Cb 0.85 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 39.31 2dkh h ASP 509 CO 0.05 0.90 0.10 0.25 -1.57 0.00 0.00 179.24 178.97 2dkh h LEU 510 N 1.24 0.88 0.00 1.55 5.85 -1.80 -2.86 115.31 120.17 2dkh h LEU 510 Ca 0.31 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2dkh h LEU 510 Cb 0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2dkh h LEU 510 CO -0.05 0.88 -0.47 0.00 -0.34 0.00 0.00 178.44 178.46 2dkh h ALA 511 N 1.23 0.73 -2.91 1.25 0.00 -1.79 -3.40 119.26 114.37 2dkh h ALA 511 Ca 0.18 -0.38 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 2dkh h ALA 511 Cb 0.38 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 2dkh h ALA 511 CO 0.01 0.50 -0.72 -0.65 0.00 0.00 0.00 179.25 178.39 2dkh s GLN 512 N -3.02 1.73 0.49 0.00 -0.21 0.52 -4.96 119.66 114.21 2dkh s GLN 512 Ca 0.04 -2.62 0.33 0.00 0.02 0.00 0.00 55.36 53.13 2dkh s GLN 512 Cb 0.07 -2.64 1.69 0.00 1.00 0.00 0.00 33.01 33.14 2dkh s GLN 512 CO 0.74 -1.26 2.01 -1.35 -2.12 0.00 0.00 175.29 173.30 2dkh h PRO 513 N 5.92 0.00 0.00 2.91 0.11 -1.79 -3.12 132.00 136.03 2dkh h PRO 513 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2dkh h PRO 513 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2dkh h PRO 513 CO 0.57 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.41 2dkh h GLU 514 N 0.00 0.00 0.00 1.05 9.09 -1.93 -3.22 114.58 119.57 2dkh h GLU 514 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 2dkh h GLU 514 Cb 0.12 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.18 2dkh h GLU 514 CO 0.00 0.00 -0.10 -1.13 0.05 0.00 0.00 179.01 177.83 2dkh n SER 515 N -2.85 -0.98 0.00 3.06 3.41 -1.18 -4.81 113.62 110.27 2dkh n SER 515 Ca -0.02 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 2dkh n SER 515 Cb 0.08 1.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 2dkh n SER 515 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkh n GLY 516 N -0.41 0.72 0.17 5.00 0.00 -1.26 -3.68 105.19 105.72 2dkh n GLY 516 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2dkh n GLY 516 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dkh h LEU 517 N 0.00 -0.28 -1.26 0.99 6.46 -1.91 -1.28 115.31 118.03 2dkh h LEU 517 Ca 0.00 0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.81 2dkh h LEU 517 Cb 0.00 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2dkh h LEU 517 CO 0.00 -0.10 -0.13 -0.07 -0.62 0.00 0.00 178.44 177.52 2dkh h LEU 518 N 0.04 0.33 -0.83 2.25 3.38 -1.83 -1.50 115.31 117.15 2dkh h LEU 518 Ca 0.20 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2dkh h LEU 518 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2dkh h LEU 518 CO -0.38 0.49 -0.51 0.00 0.09 0.00 0.00 178.44 178.14 2dkh h ALA 519 N 1.54 1.01 -0.47 1.53 0.00 -1.41 -1.72 119.26 119.75 2dkh h ALA 519 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 2dkh h ALA 519 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2dkh h ALA 519 CO 0.03 0.66 -0.00 1.25 0.00 0.00 0.00 179.25 181.18 2dkh h LEU 520 N 0.15 0.81 -0.76 0.00 5.85 -0.51 -1.35 115.31 119.50 2dkh h LEU 520 Ca 0.00 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2dkh h LEU 520 Cb 0.96 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2dkh h LEU 520 CO 0.08 0.92 0.41 0.00 -0.34 0.00 0.00 178.44 179.51 2dkh h ARG 522 N 1.05 0.82 0.01 0.00 2.43 -1.13 -1.16 114.38 116.40 2dkh h ARG 522 Ca 0.27 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2dkh h ARG 522 Cb 0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2dkh h ARG 522 CO -0.04 0.58 -0.00 0.35 -1.51 0.00 0.00 179.97 179.35 2dkh h PHE 523 N 0.82 -0.01 -0.74 2.20 3.04 -0.70 -0.38 116.94 121.18 2dkh h PHE 523 Ca 0.22 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.22 2dkh h PHE 523 Cb -0.03 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.42 2dkh h PHE 523 CO -0.02 0.23 0.45 -0.07 -2.02 0.00 0.00 178.31 176.87 2dkh h LEU 524 N -0.24 0.70 0.12 0.59 3.38 -0.50 -0.88 115.31 118.49 2dkh h LEU 524 Ca -0.00 0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 2dkh h LEU 524 Cb 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2dkh h LEU 524 CO 0.00 0.46 -1.45 1.05 0.09 0.00 0.00 178.44 178.59 2dkh h GLU 525 N 0.84 0.26 0.00 1.13 4.11 -1.22 -3.37 114.58 116.32 2dkh h GLU 525 Ca 0.32 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2dkh h GLU 525 Cb 0.12 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dkh h GLU 525 CO -0.15 1.14 -0.81 0.41 0.07 0.00 0.00 179.01 179.67 2dkh n GLY 526 N 1.63 -0.48 3.71 1.06 0.00 -0.15 -4.93 105.19 106.03 2dkh n GLY 526 Ca -0.14 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2dkh n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dkh s ASP 527 N -2.58 6.42 0.57 1.61 3.68 -0.34 -4.97 116.67 121.07 2dkh s ASP 527 Ca 0.05 0.50 0.26 0.00 2.13 0.00 0.00 52.55 55.48 2dkh s ASP 527 Cb 0.12 -2.19 1.58 0.00 -1.45 0.00 0.00 42.92 40.97 2dkh s ASP 527 CO 0.64 0.05 2.13 0.00 0.13 0.00 0.00 175.17 178.11 2dkh h ALA 528 N 6.90 1.88 -0.00 3.66 0.00 -1.93 0.97 119.26 130.74 2dkh h ALA 528 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2dkh h ALA 528 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dkh h ALA 528 CO 0.74 -0.23 -0.12 0.00 0.00 0.00 0.00 179.25 179.65 2dkh n ALA 529 N -2.41 2.73 -1.76 0.00 0.00 -1.26 -4.36 120.51 113.45 2dkh n ALA 529 Ca 0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 2dkh n ALA 529 Cb 0.27 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 2dkh n ALA 529 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dkh n SER 530 N -1.15 3.86 0.25 0.00 2.88 0.33 -4.83 113.62 114.96 2dkh n SER 530 Ca 0.12 1.19 0.11 0.00 -1.33 0.00 0.00 58.87 58.96 2dkh n SER 530 Cb 0.29 -1.61 0.66 0.00 -0.75 0.00 0.00 64.21 62.79 2dkh n SER 530 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2dkh h PRO 531 N 3.83 0.00 -0.39 -1.46 0.13 -1.88 0.26 132.00 132.49 2dkh h PRO 531 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2dkh h PRO 531 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2dkh h PRO 531 CO 0.71 0.15 -0.05 1.25 -0.23 0.00 0.00 178.00 179.83 2dkh h LEU 532 N 0.00 0.72 -0.14 1.56 6.46 -1.90 0.18 115.31 122.19 2dkh h LEU 532 Ca -0.00 -0.34 -0.23 0.00 -0.12 0.00 0.00 57.88 57.19 2dkh h LEU 532 Cb 0.38 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2dkh h LEU 532 CO 0.02 0.89 -0.91 0.03 -0.62 0.00 0.00 178.44 177.85 2dkh h ARG 533 N 0.54 0.60 -0.36 1.25 2.47 -1.59 -2.73 114.38 114.56 2dkh h ARG 533 Ca 0.10 -0.59 -0.12 0.00 -1.26 0.00 0.00 59.98 58.12 2dkh h ARG 533 Cb 0.55 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2dkh h ARG 533 CO 0.03 1.20 -0.23 0.00 0.56 0.00 0.00 179.97 181.53 2dkh h ARG 534 N 0.37 0.79 -0.01 0.04 2.47 -0.89 -3.37 114.38 113.78 2dkh h ARG 534 Ca -0.08 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 2dkh h ARG 534 Cb 1.54 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.85 2dkh h ARG 534 CO 0.17 1.00 -0.20 1.19 0.56 0.00 0.00 179.97 182.69 2dkh n PHE 535 N -4.24 0.00 -2.91 3.04 3.01 0.04 -4.50 117.46 111.91 2dkh n PHE 535 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 2dkh n PHE 535 Cb 0.45 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.87 2dkh n PHE 535 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2dkh s THR 536 N -1.57 4.88 0.35 4.37 2.01 -1.03 -4.99 115.64 119.66 2dkh s THR 536 Ca 0.13 1.57 -0.28 0.00 0.31 0.00 0.00 61.69 63.42 2dkh s THR 536 Cb 0.12 -4.11 -0.12 0.00 0.01 0.00 0.00 72.50 68.39 2dkh s THR 536 CO 0.30 -0.00 1.38 -2.65 -0.69 0.00 0.00 174.62 172.96 2dkh n PRO 537 N 5.49 2.33 -1.72 4.92 -0.02 -1.26 -4.90 135.00 139.84 2dkh n PRO 537 Ca 0.04 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 2dkh n PRO 537 Cb 0.48 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 2dkh n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkh n ALA 538 N 0.54 1.70 0.00 3.55 0.00 -1.26 -2.04 120.51 123.00 2dkh n ALA 538 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2dkh n ALA 538 Cb 0.37 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2dkh n ALA 538 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkh n GLY 539 N 0.92 2.45 3.94 0.00 0.00 -1.26 -5.04 105.19 106.20 2dkh n GLY 539 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 2dkh n GLY 539 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dkh s GLN 540 N -0.41 2.94 0.62 1.61 -0.21 -0.86 -5.05 119.66 118.29 2dkh s GLN 540 Ca 0.00 -0.29 -0.19 0.00 0.02 0.00 0.00 55.36 54.90 2dkh s GLN 540 Cb 0.00 -2.42 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 2dkh s GLN 540 CO 0.00 -0.52 1.29 -0.51 -2.12 0.00 0.00 175.29 173.43 2dkh s ASP 541 N -4.28 4.83 0.49 5.90 1.01 -1.26 -4.88 116.67 118.48 2dkh s ASP 541 Ca 0.52 2.60 0.33 0.00 0.71 0.00 0.00 52.55 56.71 2dkh s ASP 541 Cb -0.10 -2.62 1.66 0.00 1.01 0.00 0.00 42.92 42.87 2dkh s ASP 541 CO 0.41 -1.85 2.00 -0.29 0.21 0.00 0.00 175.17 175.65 2dkh h ILE 542 N 0.76 0.00 -0.31 0.77 2.10 -1.97 -1.35 117.51 117.51 2dkh h ILE 542 Ca -0.51 -0.13 -0.08 0.00 1.08 0.00 0.00 64.86 65.22 2dkh h ILE 542 Cb 1.32 0.94 -0.05 0.00 -1.09 0.00 0.00 36.82 37.95 2dkh h ILE 542 CO 0.54 0.00 -0.00 -0.90 -1.08 0.00 0.00 178.15 176.71 2dkh n ASP 543 N -2.72 3.34 0.19 2.19 5.75 -1.26 -4.65 116.55 119.38 2dkh n ASP 543 Ca -0.01 -3.31 0.13 0.00 -0.01 0.00 0.00 54.79 51.59 2dkh n ASP 543 Cb 0.13 -0.59 0.37 0.00 -1.03 0.00 0.00 41.12 40.00 2dkh n ASP 543 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2dkh h SER 544 N 1.44 0.00 0.00 -1.12 4.64 -1.59 -3.37 113.55 113.54 2dkh h SER 544 Ca 0.10 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 2dkh h SER 544 Cb 1.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 2dkh h SER 544 CO 0.31 0.00 -1.33 -0.38 -0.87 0.00 0.00 176.83 174.56 2dkh n ILE 545 N -2.76 0.33 -3.76 0.95 2.08 -1.26 -4.81 119.36 110.12 2dkh n ILE 545 Ca 0.04 -0.08 -0.37 0.00 0.56 0.00 0.00 62.75 62.89 2dkh n ILE 545 Cb 0.42 -1.57 -0.13 0.00 -0.75 0.00 0.00 39.64 37.62 2dkh n ILE 545 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2dkh s PHE 546 N -2.11 3.17 -0.62 1.39 0.08 -1.26 -1.38 117.98 117.25 2dkh s PHE 546 Ca -0.08 -1.10 -0.19 0.00 0.12 0.00 0.00 56.93 55.67 2dkh s PHE 546 Cb 0.03 -2.26 0.11 0.00 -0.57 0.00 0.00 43.02 40.33 2dkh s PHE 546 CO 0.10 -0.62 0.73 0.34 -0.10 0.00 0.00 175.22 175.68 2dkh s ASP 547 N 1.47 6.22 -0.14 1.36 3.68 0.64 -4.40 116.67 125.50 2dkh s ASP 547 Ca 0.01 -1.49 -0.20 0.00 2.13 0.00 0.00 52.55 53.00 2dkh s ASP 547 Cb -0.18 -2.31 -0.04 0.00 -1.45 0.00 0.00 42.92 38.95 2dkh s ASP 547 CO 0.02 -1.11 0.55 -0.22 0.13 0.00 0.00 175.17 174.55 2dkh s LEU 548 N 2.64 4.23 -0.10 -1.34 2.96 -1.26 -0.76 118.68 125.04 2dkh s LEU 548 Ca 0.13 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 2dkh s LEU 548 Cb -0.23 -2.80 0.01 0.00 0.50 0.00 0.00 46.19 43.68 2dkh s LEU 548 CO 0.05 -0.11 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.69 2dkh s ARG 549 N 1.10 2.13 -0.15 1.98 1.81 0.04 -4.81 118.95 121.06 2dkh s ARG 549 Ca 0.28 -0.54 -0.06 0.00 -1.72 0.00 0.00 55.73 53.69 2dkh s ARG 549 Cb -0.16 -1.79 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 2dkh s ARG 549 CO 0.11 -0.03 0.07 0.00 -0.68 0.00 0.00 175.30 174.78 2dkh s ALA 550 N 0.88 3.51 -0.20 2.13 0.00 0.90 -1.05 121.76 127.94 2dkh s ALA 550 Ca -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2dkh s ALA 550 Cb -0.15 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.15 2dkh s ALA 550 CO 0.00 0.37 -0.14 0.08 0.00 0.00 0.00 175.76 176.07 2dkh s VAL 551 N -0.22 1.85 0.09 0.00 1.01 0.62 -0.31 120.40 123.44 2dkh s VAL 551 Ca 0.08 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2dkh s VAL 551 Cb -0.12 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2dkh s VAL 551 CO 0.01 0.28 0.28 -0.36 0.00 0.00 0.00 175.10 175.31 2dkh s PHE 552 N 1.32 3.51 -0.58 5.22 0.08 0.43 -0.92 117.98 127.04 2dkh s PHE 552 Ca -0.00 0.40 0.25 0.00 0.12 0.00 0.00 56.93 57.70 2dkh s PHE 552 Cb -0.16 -1.88 0.58 0.00 -0.57 0.00 0.00 43.02 40.99 2dkh s PHE 552 CO -0.09 0.53 1.69 -1.00 -0.10 0.00 0.00 175.22 176.25 2dkh h PRO 553 N 3.09 0.00 -7.23 0.24 0.13 -1.88 -3.27 132.00 123.09 2dkh h PRO 553 Ca -0.46 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.17 2dkh h PRO 553 Cb 1.17 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 2dkh h PRO 553 CO 0.74 0.00 0.37 -0.65 -0.23 0.00 0.00 178.00 178.22 2dkh s GLN 554 N -3.16 2.89 0.75 0.86 1.11 -1.26 -4.64 119.66 116.21 2dkh s GLN 554 Ca 0.09 1.26 -0.14 0.00 0.01 0.00 0.00 55.36 56.58 2dkh s GLN 554 Cb 0.09 -1.97 0.05 0.00 -1.01 0.00 0.00 33.01 30.16 2dkh s GLN 554 CO 0.63 -1.16 1.19 0.00 0.01 0.00 0.00 175.29 175.96 2dkh s ALA 555 N -2.52 2.08 0.53 6.09 0.00 -1.26 -4.26 121.76 122.41 2dkh s ALA 555 Ca 0.64 0.81 0.18 0.00 0.00 0.00 0.00 51.96 53.59 2dkh s ALA 555 Cb -0.18 -3.45 1.32 0.00 0.00 0.00 0.00 23.12 20.81 2dkh s ALA 555 CO 0.43 -1.93 2.14 0.10 0.00 0.00 0.00 175.76 176.50 2dkh h TYR 556 N -0.47 0.00 0.00 0.00 -0.00 -1.91 0.30 116.97 114.89 2dkh h TYR 556 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.26 2dkh h TYR 556 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 2dkh h TYR 556 CO 0.48 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.89 2dkh n THR 557 N -4.47 0.84 0.96 -0.90 -2.24 -1.26 -2.63 114.28 104.58 2dkh n THR 557 Ca -0.01 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 2dkh n THR 557 Cb 0.15 -0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 67.41 2dkh n THR 557 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dkh n GLU 558 N -1.71 1.33 -3.39 -0.78 4.71 0.09 -4.84 120.64 116.05 2dkh n GLU 558 Ca 0.04 -1.01 -0.43 0.00 -0.01 0.00 0.00 57.16 55.74 2dkh n GLU 558 Cb 0.21 -1.45 -0.09 0.00 -1.01 0.00 0.00 31.44 29.11 2dkh n GLU 558 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2dkh s VAL 559 N -2.37 5.18 -0.61 2.62 1.01 -1.08 -4.99 120.40 120.17 2dkh s VAL 559 Ca 0.18 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 2dkh s VAL 559 Cb 0.17 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2dkh s VAL 559 CO 0.54 -0.44 0.97 0.00 0.00 0.00 0.00 175.10 176.17 2dkh s ALA 560 N 1.85 3.11 0.28 5.51 0.00 -1.26 -4.93 121.76 126.33 2dkh s ALA 560 Ca 0.07 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.54 2dkh s ALA 560 Cb -0.20 -3.82 0.56 0.00 0.00 0.00 0.00 23.12 19.67 2dkh s ALA 560 CO 0.10 -2.61 1.82 -0.07 0.00 0.00 0.00 175.76 175.01 2dkh h LEU 561 N 11.26 0.87 -1.83 0.00 3.38 -1.96 -1.49 115.31 125.54 2dkh h LEU 561 Ca -0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2dkh h LEU 561 Cb 1.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2dkh h LEU 561 CO 1.14 0.45 0.00 1.05 0.09 0.00 0.00 178.44 181.16 2dkh h GLU 562 N 0.94 0.00 -0.02 1.13 9.09 -2.01 -1.83 114.58 121.88 2dkh h GLU 562 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 2dkh h GLU 562 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 2dkh h GLU 562 CO -0.28 0.00 -0.32 0.25 0.05 0.00 0.00 179.01 178.70 2dkh n THR 563 N -2.53 0.00 -2.83 -1.06 -2.24 -0.56 -4.98 114.28 100.07 2dkh n THR 563 Ca -0.01 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 2dkh n THR 563 Cb 0.07 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 2dkh n THR 563 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dkh s LEU 564 N -2.35 3.79 0.64 3.22 1.43 -0.69 -5.05 118.68 119.68 2dkh s LEU 564 Ca 0.22 1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 54.19 2dkh s LEU 564 Cb 0.19 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 2dkh s LEU 564 CO 0.49 -0.43 1.27 -2.65 0.23 0.00 0.00 176.35 175.26 2dkh n PRO 565 N -1.51 1.13 0.32 1.29 -0.02 -1.26 -4.87 135.00 130.07 2dkh n PRO 565 Ca 0.02 0.44 0.19 0.00 -2.02 0.00 0.00 63.50 62.13 2dkh n PRO 565 Cb 0.54 -2.50 1.07 0.00 -0.02 0.00 0.00 33.50 32.59 2dkh n PRO 565 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dkh h ALA 566 N 0.57 1.19 0.00 3.55 0.00 -1.97 -1.16 119.26 121.45 2dkh h ALA 566 Ca -0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2dkh h ALA 566 Cb 1.34 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2dkh h ALA 566 CO 0.53 0.01 -0.16 1.25 0.00 0.00 0.00 179.25 180.88 2dkh h LEU 567 N 0.00 0.00 -0.49 0.00 5.85 -1.93 -1.05 115.31 117.69 2dkh h LEU 567 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dkh h LEU 567 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2dkh h LEU 567 CO 0.00 0.16 -0.29 0.18 -0.34 0.00 0.00 178.44 178.15 2dkh n LEU 568 N -4.07 1.05 -3.03 2.25 4.77 -0.44 -4.02 117.00 113.52 2dkh n LEU 568 Ca -0.02 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 2dkh n LEU 568 Cb 0.24 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2dkh n LEU 568 CO 0.34 0.20 -0.19 0.18 -1.33 0.00 0.00 177.39 176.58 2dkh n LEU 569 N -0.67 1.00 -4.74 2.23 4.77 -0.81 -4.40 117.00 114.39 2dkh n LEU 569 Ca 0.12 -4.62 -0.41 0.00 -0.03 0.00 0.00 56.01 51.07 2dkh n LEU 569 Cb 0.35 0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 2dkh n LEU 569 CO 0.27 2.07 1.02 -2.16 -1.33 0.00 0.00 177.39 177.25 2dkh s PRO 570 N -2.63 4.36 0.52 3.23 0.04 -0.46 -4.62 135.00 135.43 2dkh s PRO 570 Ca 0.36 2.11 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 2dkh s PRO 570 Cb 0.38 -3.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 2dkh s PRO 570 CO -0.04 -0.30 1.00 -1.25 0.04 0.00 0.00 177.00 176.44 2dkh s PRO 571 N -0.05 3.87 0.22 0.56 0.04 -1.26 -1.11 135.00 137.26 2dkh s PRO 571 Ca 0.58 1.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 2dkh s PRO 571 Cb -0.38 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2dkh s PRO 571 CO 0.38 -0.34 0.57 -1.59 0.04 0.00 0.00 177.00 176.06 2dkh s LYS 572 N -3.96 1.48 0.81 4.56 -2.85 0.15 -4.67 119.74 115.27 2dkh s LYS 572 Ca 0.60 -0.91 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 2dkh s LYS 572 Cb -0.11 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 2dkh s LYS 572 CO 0.30 -0.64 0.00 0.41 0.10 0.00 0.00 175.35 175.52 2dkh n GLY 573 N -0.38 -1.94 0.26 0.59 0.00 -1.26 -2.58 105.19 99.87 2dkh n GLY 573 Ca -0.08 -1.36 0.16 0.00 0.00 0.00 0.00 46.02 44.73 2dkh n GLY 573 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dkh h GLN 574 N 0.00 0.00 -0.04 1.61 4.20 -1.93 -3.21 115.11 115.74 2dkh h GLN 574 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dkh h GLN 574 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2dkh h GLN 574 CO 0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 2dkh n LEU 575 N -3.06 2.39 -0.97 1.46 4.77 -1.26 -4.97 117.00 115.36 2dkh n LEU 575 Ca 0.01 -1.04 -0.11 0.00 -0.03 0.00 0.00 56.01 54.84 2dkh n LEU 575 Cb 0.36 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2dkh n LEU 575 CO 0.29 0.44 -0.12 0.61 -1.33 0.00 0.00 177.39 177.28 2dkh n GLY 576 N 0.91 0.82 3.76 -0.72 0.00 -1.16 -4.97 105.19 103.84 2dkh n GLY 576 Ca 0.10 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 2dkh n GLY 576 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkh s MET 577 N -3.42 3.45 0.02 1.61 -1.94 -1.07 -4.28 119.30 113.67 2dkh s MET 577 Ca 0.00 2.28 -0.25 0.00 -1.71 0.00 0.00 55.69 56.01 2dkh s MET 577 Cb 0.00 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 2dkh s MET 577 CO 0.00 -0.96 0.76 0.42 -0.01 0.00 0.00 175.02 175.23 2dkh s ILE 578 N -1.27 4.80 -0.40 2.53 -1.09 -1.26 -0.67 121.20 123.84 2dkh s ILE 578 Ca 0.66 1.61 -0.21 0.00 -2.23 0.00 0.00 60.65 60.48 2dkh s ILE 578 Cb -0.41 -4.11 0.01 0.00 -1.58 0.00 0.00 42.46 36.38 2dkh s ILE 578 CO 0.51 0.33 0.65 -0.62 -1.23 0.00 0.00 174.94 174.59 2dkh s ASP 579 N 0.15 6.38 -0.03 3.58 -1.08 -0.27 -4.92 116.67 120.48 2dkh s ASP 579 Ca 0.39 -0.10 0.14 0.00 -0.52 0.00 0.00 52.55 52.46 2dkh s ASP 579 Cb -0.20 -2.33 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 2dkh s ASP 579 CO 0.22 -0.71 1.34 -1.22 0.52 0.00 0.00 175.17 175.32 2dkh n TYR 580 N 6.21 0.77 -1.28 -5.34 4.01 -1.26 -4.05 117.16 116.22 2dkh n TYR 580 Ca -0.01 -0.35 -0.08 0.00 -0.16 0.00 0.00 57.90 57.30 2dkh n TYR 580 Cb 0.48 -0.07 0.22 0.00 -0.31 0.00 0.00 39.34 39.66 2dkh n TYR 580 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2dkh n GLU 581 N 0.81 2.35 0.00 -0.72 1.02 -1.26 -4.38 120.64 118.46 2dkh n GLU 581 Ca 0.16 -3.09 0.10 0.00 -0.02 0.00 0.00 57.16 54.32 2dkh n GLU 581 Cb 0.49 -1.98 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 2dkh n GLU 581 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dkh n LYS 582 N -0.92 0.97 -5.19 3.49 4.76 -1.26 -4.95 118.16 115.07 2dkh n LYS 582 Ca 0.40 -0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 54.99 2dkh n LYS 582 Cb 1.24 -1.43 -0.17 0.00 -1.84 0.00 0.00 35.03 32.84 2dkh n LYS 582 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dkh s VAL 583 N -2.56 2.16 0.12 -0.18 1.01 -1.26 -0.07 120.40 119.62 2dkh s VAL 583 Ca 0.13 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2dkh s VAL 583 Cb 0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2dkh s VAL 583 CO 0.65 0.56 -0.01 -0.36 0.00 0.00 0.00 175.10 175.94 2dkh s PHE 584 N 0.21 0.93 0.32 5.22 0.40 0.58 -1.65 117.98 123.98 2dkh s PHE 584 Ca -0.14 -1.05 0.03 0.00 -0.60 0.00 0.00 56.93 55.17 2dkh s PHE 584 Cb -0.17 -0.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 2dkh s PHE 584 CO 0.07 -0.29 0.10 -1.12 0.70 0.00 0.00 175.22 174.68 2dkh s SER 585 N -3.07 1.96 0.71 1.36 0.01 -0.02 -0.43 113.70 114.22 2dkh s SER 585 Ca 0.18 -1.45 -0.08 0.00 1.31 0.00 0.00 55.95 55.90 2dkh s SER 585 Cb 0.06 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.50 2dkh s SER 585 CO -0.01 -0.74 1.04 -2.84 0.41 0.00 0.00 173.24 171.10 2dkh s PRO 586 N -3.90 2.40 -0.49 12.44 0.02 -1.23 -0.03 135.00 144.21 2dkh s PRO 586 Ca 0.35 -0.00 -0.28 0.00 0.02 0.00 0.00 61.00 61.09 2dkh s PRO 586 Cb 0.07 -2.12 0.03 0.00 0.02 0.00 0.00 34.50 32.50 2dkh s PRO 586 CO 0.15 -1.18 1.07 0.34 -0.33 0.00 0.00 177.00 177.05 2dkh s ASP 587 N -4.46 6.56 0.00 2.53 -1.08 -1.26 -4.31 116.67 114.65 2dkh s ASP 587 Ca 0.59 0.29 0.11 0.00 -0.52 0.00 0.00 52.55 53.02 2dkh s ASP 587 Cb -0.11 -2.52 0.17 0.00 -1.46 0.00 0.00 42.92 39.00 2dkh s ASP 587 CO 0.47 -1.22 1.00 0.18 0.52 0.00 0.00 175.17 176.12 2dkh n LEU 588 N 7.69 2.30 -0.01 -1.34 4.77 -1.26 -3.45 117.00 125.70 2dkh n LEU 588 Ca 0.10 -1.35 -0.19 0.00 -0.03 0.00 0.00 56.01 54.54 2dkh n LEU 588 Cb 0.49 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2dkh n LEU 588 CO 0.69 0.50 -0.12 0.50 -1.33 0.00 0.00 177.39 177.63 2dkh h LYS 589 N 2.18 0.17 -5.63 3.23 3.64 -1.98 -3.45 116.57 114.74 2dkh h LYS 589 Ca 0.00 -0.30 -0.58 0.00 -1.27 0.00 0.00 60.65 58.50 2dkh h LYS 589 Cb 0.57 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.41 2dkh h LYS 589 CO 0.00 1.14 -0.17 -0.80 -2.27 0.00 0.00 179.45 177.35 2dkh s ASN 590 N -6.81 6.59 0.31 4.20 0.01 -1.26 -5.04 114.94 112.94 2dkh s ASN 590 Ca -0.19 0.70 -0.29 0.00 -0.71 0.00 0.00 52.86 52.37 2dkh s ASN 590 Cb 0.02 -2.26 -0.13 0.00 0.41 0.00 0.00 41.25 39.29 2dkh s ASN 590 CO 0.74 -0.01 1.31 0.00 -1.51 0.00 0.00 177.10 177.64 2dkh n ALA 591 N 3.87 1.15 -1.46 0.60 0.00 -1.26 -2.61 120.51 120.80 2dkh n ALA 591 Ca -0.08 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 2dkh n ALA 591 Cb 0.51 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 2dkh n ALA 591 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dkh n GLY 592 N 1.25 1.40 0.62 0.00 0.00 -1.26 -4.90 105.19 102.30 2dkh n GLY 592 Ca 0.07 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2dkh n GLY 592 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dkh n GLN 593 N -2.57 2.82 -2.53 1.61 1.13 -1.07 -4.89 117.38 111.87 2dkh n GLN 593 Ca -0.14 -2.26 -0.43 0.00 -1.94 0.00 0.00 57.00 52.23 2dkh n GLN 593 Cb 0.48 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.38 2dkh n GLN 593 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2dkh s ASP 594 N -1.38 6.83 0.52 1.08 3.68 -1.22 -4.03 116.67 122.15 2dkh s ASP 594 Ca 0.27 1.18 0.20 0.00 2.13 0.00 0.00 52.55 56.33 2dkh s ASP 594 Cb 0.18 -2.54 1.33 0.00 -1.45 0.00 0.00 42.92 40.44 2dkh s ASP 594 CO 0.11 -0.95 2.08 -0.29 0.13 0.00 0.00 175.17 176.25 2dkh h ILE 595 N 5.80 0.87 -0.08 4.11 2.10 -1.86 0.05 117.51 128.49 2dkh h ILE 595 Ca -0.23 -0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.66 2dkh h ILE 595 Cb 1.08 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.67 2dkh h ILE 595 CO 1.03 0.00 -0.18 -0.26 -1.08 0.00 0.00 178.15 177.66 2dkh h PHE 596 N 0.00 0.14 0.00 2.19 -1.00 -1.94 -0.20 116.94 116.14 2dkh h PHE 596 Ca 0.12 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 2dkh h PHE 596 Cb 0.48 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 2dkh h PHE 596 CO -0.00 0.32 -0.20 0.93 -1.61 0.00 0.00 178.31 177.75 2dkh h GLU 597 N 0.13 0.00 -0.97 1.51 4.39 -1.43 -1.56 114.58 116.64 2dkh h GLU 597 Ca 0.02 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.85 2dkh h GLU 597 Cb 0.40 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 2dkh h GLU 597 CO 0.03 0.74 0.62 -0.07 -1.16 0.00 0.00 179.01 179.16 2dkh h LEU 598 N -1.00 0.86 -3.20 1.33 3.38 -0.94 -2.59 115.31 113.15 2dkh h LEU 598 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dkh h LEU 598 Cb 0.81 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2dkh h LEU 598 CO -0.03 0.45 0.00 0.54 0.09 0.00 0.00 178.44 179.49 2dkh n ARG 599 N -4.61 3.30 -3.77 1.13 5.12 -0.10 -4.85 116.66 112.89 2dkh n ARG 599 Ca 0.19 -2.73 -0.23 0.00 -1.93 0.00 0.00 57.85 53.14 2dkh n ARG 599 Cb 0.39 -1.79 0.02 0.00 -1.16 0.00 0.00 32.46 29.92 2dkh n ARG 599 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dkh n GLY 600 N 0.10 -0.31 3.74 -0.13 0.00 -0.98 -0.73 105.19 106.88 2dkh n GLY 600 Ca 0.21 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 2dkh n GLY 600 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dkh s ILE 601 N -3.65 4.02 -0.49 -0.61 -1.09 -0.59 -1.88 121.20 116.91 2dkh s ILE 601 Ca 0.11 1.87 -0.28 0.00 -2.23 0.00 0.00 60.65 60.11 2dkh s ILE 601 Cb -0.05 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 2dkh s ILE 601 CO 0.82 0.38 1.47 -0.62 -1.23 0.00 0.00 174.94 175.77 2dkh s ASP 602 N -0.59 6.12 0.34 3.58 -1.08 0.45 -4.88 116.67 120.61 2dkh s ASP 602 Ca 0.45 0.56 0.01 0.00 -0.52 0.00 0.00 52.55 53.05 2dkh s ASP 602 Cb -0.27 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.24 2dkh s ASP 602 CO 0.34 -1.66 2.00 0.03 0.52 0.00 0.00 175.17 176.40 2dkh h ARG 603 N 11.35 0.87 0.00 4.34 3.08 -1.92 0.26 114.38 132.37 2dkh h ARG 603 Ca -0.27 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 2dkh h ARG 603 Cb 1.11 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2dkh h ARG 603 CO 1.14 0.59 -0.33 1.96 -1.07 0.00 0.00 179.97 182.25 2dkh h GLN 604 N 0.90 0.00 0.00 0.04 1.08 -1.94 0.76 115.11 115.95 2dkh h GLN 604 Ca 0.24 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.17 2dkh h GLN 604 Cb -0.09 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.29 2dkh h GLN 604 CO -0.05 0.33 -2.03 1.04 -0.95 0.00 0.00 178.83 177.17 2dkh n GLN 605 N -3.25 1.35 -0.01 1.46 1.13 -1.09 -4.54 117.38 112.43 2dkh n GLN 605 Ca 0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2dkh n GLN 605 Cb 0.61 -1.38 -0.00 0.00 0.11 0.00 0.00 30.24 29.58 2dkh n GLN 605 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dkh n GLY 606 N 2.19 -2.18 3.59 1.08 0.00 0.90 -4.44 105.19 106.33 2dkh n GLY 606 Ca -0.26 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2dkh n GLY 606 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkh s ALA 607 N -1.02 -1.91 -0.25 4.61 0.00 -0.20 -4.61 121.76 118.38 2dkh s ALA 607 Ca 0.00 1.66 -0.05 0.00 0.00 0.00 0.00 51.96 53.57 2dkh s ALA 607 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2dkh s ALA 607 CO 0.00 -0.30 0.00 -1.17 0.00 0.00 0.00 175.76 174.29 2dkh s LEU 608 N -0.65 3.29 -0.32 0.00 2.96 0.12 -0.62 118.68 123.47 2dkh s LEU 608 Ca -0.02 -0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 2dkh s LEU 608 Cb -0.02 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.90 2dkh s LEU 608 CO 0.01 -0.10 0.12 -0.69 -1.32 0.00 0.00 176.35 174.37 2dkh s VAL 609 N 1.47 4.20 -0.23 1.68 1.01 0.24 -0.52 120.40 128.24 2dkh s VAL 609 Ca 0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2dkh s VAL 609 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2dkh s VAL 609 CO -0.01 -0.01 0.41 -0.69 0.00 0.00 0.00 175.10 174.80 2dkh s VAL 610 N 1.52 5.17 -0.07 2.92 1.01 -0.14 -1.09 120.40 129.73 2dkh s VAL 610 Ca 0.02 0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2dkh s VAL 610 Cb -0.18 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2dkh s VAL 610 CO 0.04 0.20 -0.21 -0.69 0.00 0.00 0.00 175.10 174.44 2dkh s VAL 611 N 1.69 1.79 0.89 2.92 1.01 0.06 -0.01 120.40 128.75 2dkh s VAL 611 Ca 0.18 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2dkh s VAL 611 Cb -0.15 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.81 2dkh s VAL 611 CO 0.09 0.50 1.11 -0.13 0.00 0.00 0.00 175.10 176.67 2dkh s ARG 612 N 0.12 1.33 0.27 2.72 0.52 -0.15 -0.35 118.95 123.41 2dkh s ARG 612 Ca -0.09 0.57 0.20 0.00 -0.52 0.00 0.00 55.73 55.89 2dkh s ARG 612 Cb -0.15 -1.84 1.02 0.00 0.52 0.00 0.00 34.95 34.50 2dkh s ARG 612 CO 0.05 -2.13 1.62 -2.30 0.02 0.00 0.00 175.30 172.56 2dkh n PRO 613 N -3.77 0.14 -0.56 3.54 -0.02 -1.24 -1.11 135.00 131.99 2dkh n PRO 613 Ca 0.07 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 2dkh n PRO 613 Cb 0.57 -1.89 0.34 0.00 -0.02 0.00 0.00 33.50 32.50 2dkh n PRO 613 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dkh n ASP 614 N -2.17 4.45 0.00 2.55 5.68 -1.26 -4.70 116.55 121.09 2dkh n ASP 614 Ca -0.00 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 2dkh n ASP 614 Cb 0.09 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 2dkh n ASP 614 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dkh n GLN 615 N 1.16 -0.43 -3.33 0.11 6.02 -0.26 -4.99 117.38 115.65 2dkh n GLN 615 Ca 0.25 0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.96 2dkh n GLN 615 Cb 0.82 -3.43 -0.06 0.00 1.02 0.00 0.00 30.24 28.59 2dkh n GLN 615 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2dkh s TYR 616 N -1.96 3.71 0.02 1.08 2.02 -1.26 -0.52 117.35 120.44 2dkh s TYR 616 Ca 0.00 1.12 -0.30 0.00 -0.37 0.00 0.00 57.07 57.51 2dkh s TYR 616 Cb 0.00 -2.48 -0.06 0.00 -0.40 0.00 0.00 41.96 39.02 2dkh s TYR 616 CO 0.00 0.48 1.38 0.08 -1.57 0.00 0.00 175.55 175.92 2dkh s VAL 617 N -0.59 3.67 -0.25 0.71 1.01 0.11 -0.98 120.40 124.08 2dkh s VAL 617 Ca 0.27 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.38 2dkh s VAL 617 Cb -0.18 -3.71 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 2dkh s VAL 617 CO 0.16 0.02 -0.18 0.00 0.00 0.00 0.00 175.10 175.10 2dkh n ALA 618 N 5.01 1.42 -2.90 5.51 0.00 0.99 -0.54 120.51 129.98 2dkh n ALA 618 Ca 0.12 -1.10 -0.11 0.00 0.00 0.00 0.00 53.44 52.36 2dkh n ALA 618 Cb 0.44 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 2dkh n ALA 618 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dkh s GLN 619 N -2.52 0.70 -0.24 0.00 -1.52 -1.02 -1.51 119.66 113.54 2dkh s GLN 619 Ca -0.33 -0.59 -0.01 0.00 -1.95 0.00 0.00 55.36 52.48 2dkh s GLN 619 Cb 0.09 0.29 0.07 0.00 -0.22 0.00 0.00 33.01 33.25 2dkh s GLN 619 CO 0.62 -0.21 0.04 0.08 -0.25 0.00 0.00 175.29 175.58 2dkh s VAL 620 N -2.48 0.82 0.25 1.09 1.01 -1.26 -0.97 120.40 118.86 2dkh s VAL 620 Ca -0.06 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.05 2dkh s VAL 620 Cb -0.01 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2dkh s VAL 620 CO -0.03 -0.37 -0.18 -0.76 0.00 0.00 0.00 175.10 173.75 2dkh s LEU 621 N 1.69 2.57 0.38 3.92 1.43 0.32 -4.49 118.68 124.51 2dkh s LEU 621 Ca 0.02 -1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 51.85 2dkh s LEU 621 Cb -0.17 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 2dkh s LEU 621 CO -0.14 -0.02 1.22 -2.84 0.23 0.00 0.00 176.35 174.80 2dkh s PRO 622 N -3.48 4.11 0.43 1.29 0.02 -1.26 -0.70 135.00 135.39 2dkh s PRO 622 Ca 0.27 1.98 0.12 0.00 0.02 0.00 0.00 61.00 63.38 2dkh s PRO 622 Cb -0.04 -2.79 0.97 0.00 0.02 0.00 0.00 34.50 32.67 2dkh s PRO 622 CO 0.12 -0.32 2.00 -0.07 -0.33 0.00 0.00 177.00 178.40 2dkh h LEU 623 N 2.83 0.41 -0.20 -5.54 3.38 -1.85 -2.16 115.31 112.17 2dkh h LEU 623 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2dkh h LEU 623 Cb 1.24 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2dkh h LEU 623 CO 0.63 0.26 -0.13 0.61 0.09 0.00 0.00 178.44 179.90 2dkh n GLY 624 N -1.50 -1.01 2.86 0.83 0.00 -1.26 -4.50 105.19 100.60 2dkh n GLY 624 Ca 0.08 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2dkh n GLY 624 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkh n ASP 625 N -1.04 4.60 -0.05 1.61 4.64 -0.81 -4.68 116.55 120.82 2dkh n ASP 625 Ca 0.13 -2.99 -0.02 0.00 -1.38 0.00 0.00 54.79 50.53 2dkh n ASP 625 Cb 0.29 -1.56 0.24 0.00 -1.04 0.00 0.00 41.12 39.04 2dkh n ASP 625 CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 2dkh h HIS 626 N 5.96 0.66 -0.65 -0.67 3.86 -1.85 -2.57 115.15 119.90 2dkh h HIS 626 Ca 0.46 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 2dkh h HIS 626 Cb 0.65 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 2dkh h HIS 626 CO 1.34 0.63 0.34 0.00 0.86 0.00 0.00 177.93 181.10 2dkh h ALA 627 N 1.41 0.84 -0.44 2.45 0.00 -1.98 -0.80 119.26 120.73 2dkh h ALA 627 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2dkh h ALA 627 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dkh h ALA 627 CO 0.01 0.37 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 2dkh h ALA 628 N 1.16 0.78 -0.32 0.00 0.00 -1.89 -0.52 119.26 118.47 2dkh h ALA 628 Ca 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dkh h ALA 628 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2dkh h ALA 628 CO -0.03 0.65 0.17 1.25 0.00 0.00 0.00 179.25 181.29 2dkh h LEU 629 N 0.77 0.40 -0.01 0.00 5.85 -1.15 -0.72 115.31 120.45 2dkh h LEU 629 Ca 0.10 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dkh h LEU 629 Cb 0.76 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2dkh h LEU 629 CO 0.06 0.38 0.00 0.28 -0.34 0.00 0.00 178.44 178.83 2dkh h SER 630 N 0.39 0.01 -0.83 1.25 0.02 -1.00 -2.97 113.55 110.41 2dkh h SER 630 Ca 0.11 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2dkh h SER 630 Cb 0.08 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2dkh h SER 630 CO -0.02 0.07 0.55 0.00 -1.14 0.00 0.00 176.83 176.29 2dkh h ALA 631 N 0.94 1.48 0.43 3.77 0.00 -0.90 0.06 119.26 125.03 2dkh h ALA 631 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dkh h ALA 631 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2dkh h ALA 631 CO -0.00 0.45 -0.32 -0.92 0.00 0.00 0.00 179.25 178.45 2dkh h TYR 632 N 1.05 -0.86 -0.09 0.00 -0.00 -1.01 -2.12 116.97 113.93 2dkh h TYR 632 Ca 0.33 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.95 2dkh h TYR 632 Cb 0.01 0.32 -0.01 0.00 -0.00 0.00 0.00 36.73 37.05 2dkh h TYR 632 CO -0.00 -0.48 -0.41 0.74 -0.00 0.00 0.00 178.16 178.02 2dkh h PHE 633 N -0.75 0.24 0.00 -3.82 -1.00 -1.33 -2.29 116.94 107.99 2dkh h PHE 633 Ca -0.04 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 2dkh h PHE 633 Cb 0.64 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 2dkh h PHE 633 CO -0.14 0.58 -0.07 0.93 -1.61 0.00 0.00 178.31 178.00 2dkh h GLU 634 N 0.17 0.00 0.00 1.51 4.39 -0.81 0.42 114.58 120.26 2dkh h GLU 634 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dkh h GLU 634 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2dkh h GLU 634 CO 0.06 0.07 0.00 0.66 -1.16 0.00 0.00 179.01 178.64 2dkh h SER 635 N 0.00 0.00 0.00 1.42 4.64 -0.77 -3.37 113.55 115.47 2dkh h SER 635 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dkh h SER 635 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2dkh h SER 635 CO 0.01 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.19 2dkh n PHE 636 N -2.38 0.00 -3.02 4.77 1.16 -0.98 -5.01 117.46 112.00 2dkh n PHE 636 Ca 0.02 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.34 2dkh n PHE 636 Cb 0.23 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.10 2dkh n PHE 636 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 2dkh s MET 637 N 0.00 3.49 -0.07 3.97 -1.94 0.10 -0.33 119.30 124.51 2dkh s MET 637 Ca 0.00 -0.10 0.05 0.00 -1.71 0.00 0.00 55.69 53.93 2dkh s MET 637 Cb 0.00 -2.53 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 2dkh s MET 637 CO 0.00 -0.03 -0.22 1.03 -0.01 0.00 0.00 175.02 175.78 2dkh s ARG 638 N -4.52 2.74 0.00 2.03 0.52 0.27 -4.76 118.95 115.23 2dkh s ARG 638 Ca 0.44 -0.85 0.28 0.00 -0.52 0.00 0.00 55.73 55.08 2dkh s ARG 638 Cb -0.10 -2.26 1.15 0.00 0.52 0.00 0.00 34.95 34.26 2dkh s ARG 638 CO 0.40 0.35 1.80 0.00 0.02 0.00 0.00 175.30 177.87