#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxj h VAL 3 N 0.00 0.00 0.00 5.18 3.04 -1.82 -2.92 116.25 119.73 1dxj h VAL 3 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1dxj h VAL 3 Cb 0.00 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1dxj h VAL 3 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.57 177.79 1dxj h GLY 4 N 2.08 0.00 2.00 3.17 0.00 -1.94 -1.75 103.07 106.63 1dxj h GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dxj h GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.30 1dxj h SER 5 N 0.00 0.00 0.13 0.19 0.02 -1.92 -3.31 113.55 108.67 1dxj h SER 5 Ca 0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 1dxj h SER 5 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1dxj h SER 5 CO 0.00 0.00 -2.09 0.52 -1.14 0.00 0.00 176.83 174.12 1dxj n VAL 6 N -2.94 1.70 -3.71 2.27 0.31 -0.70 -4.89 118.33 110.37 1dxj n VAL 6 Ca 0.04 -0.66 -0.24 0.00 -0.01 0.00 0.00 64.34 63.47 1dxj n VAL 6 Cb 0.49 -1.58 -0.17 0.00 -0.91 0.00 0.00 33.84 31.67 1dxj n VAL 6 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1dxj s ILE 7 N -2.55 0.21 0.63 2.52 2.07 -0.94 -4.96 121.20 118.17 1dxj s ILE 7 Ca -0.23 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 1dxj s ILE 7 Cb 0.07 -0.57 0.08 0.00 0.13 0.00 0.00 42.46 42.17 1dxj s ILE 7 CO 0.74 0.03 0.87 1.51 -1.91 0.00 0.00 174.94 176.18 1dxj s ASP 8 N 2.02 4.84 0.35 4.50 -4.77 -1.26 -4.47 116.67 117.89 1dxj s ASP 8 Ca 0.03 -0.28 0.08 0.00 -3.30 0.00 0.00 52.55 49.08 1dxj s ASP 8 Cb -0.14 -0.34 0.79 0.00 -1.09 0.00 0.00 42.92 42.14 1dxj s ASP 8 CO -0.06 -1.48 1.87 0.00 0.70 0.00 0.00 175.17 176.20 1dxj h ALA 9 N -0.17 1.80 -0.30 2.11 0.00 -1.98 -1.90 119.26 118.82 1dxj h ALA 9 Ca -0.38 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1dxj h ALA 9 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1dxj h ALA 9 CO 0.45 -0.03 -0.02 0.77 0.00 0.00 0.00 179.25 180.42 1dxj h SER 10 N 0.72 0.54 -0.57 0.00 0.02 -1.99 -1.57 113.55 110.71 1dxj h SER 10 Ca 0.44 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1dxj h SER 10 Cb 0.67 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1dxj h SER 10 CO -0.20 0.74 0.14 -0.07 -1.14 0.00 0.00 176.83 176.30 1dxj h LEU 11 N 0.33 0.86 -0.31 5.07 3.38 -1.87 0.21 115.31 122.98 1dxj h LEU 11 Ca 0.08 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1dxj h LEU 11 Cb 0.47 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1dxj h LEU 11 CO 0.02 0.86 0.08 0.15 0.09 0.00 0.00 178.44 179.64 1dxj h PHE 12 N 0.81 0.13 -0.25 1.13 3.57 -1.26 0.85 116.94 121.93 1dxj h PHE 12 Ca 0.18 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1dxj h PHE 12 Cb 0.34 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1dxj h PHE 12 CO 0.02 0.04 -0.20 -0.44 -2.23 0.00 0.00 178.31 175.51 1dxj h ASP 13 N 0.20 0.45 -0.32 0.41 3.32 -1.10 -0.93 116.42 118.44 1dxj h ASP 13 Ca 0.14 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 1dxj h ASP 13 Cb 0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1dxj h ASP 13 CO -0.17 0.66 -0.24 -0.61 -1.72 0.00 0.00 179.24 177.16 1dxj h GLN 14 N 0.41 0.73 0.02 3.56 4.15 -0.23 -2.18 115.11 121.57 1dxj h GLN 14 Ca 0.07 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1dxj h GLN 14 Cb 0.58 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1dxj h GLN 14 CO 0.04 0.97 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.83 1dxj h LEU 15 N 0.49 -0.02 -5.80 -2.39 3.38 -0.70 -3.29 115.31 106.99 1dxj h LEU 15 Ca 0.06 -0.33 -0.77 0.00 0.09 0.00 0.00 57.88 56.93 1dxj h LEU 15 Cb 0.80 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.26 1dxj h LEU 15 CO 0.06 0.32 0.82 0.18 0.09 0.00 0.00 178.44 179.92 1dxj n LEU 16 N -4.94 7.03 0.17 1.67 4.77 -0.37 -4.82 117.00 120.51 1dxj n LEU 16 Ca -0.08 -5.28 0.13 0.00 -0.03 0.00 0.00 56.01 50.74 1dxj n LEU 16 Cb 0.19 -1.06 0.58 0.00 -2.33 0.00 0.00 43.42 40.79 1dxj n LEU 16 CO 0.33 2.02 0.88 0.07 -1.33 0.00 0.00 177.39 179.36 1dxj h LYS 17 N 3.74 0.00 -0.13 3.23 2.10 -1.46 -3.16 116.57 120.89 1dxj h LYS 17 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1dxj h LYS 17 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1dxj h LYS 17 CO 1.19 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 179.36 1dxj n HIS 18 N -2.39 0.21 -0.10 0.07 8.25 -1.22 -4.74 115.22 115.29 1dxj n HIS 18 Ca 0.01 -0.57 0.02 0.00 -0.26 0.00 0.00 57.72 56.92 1dxj n HIS 18 Cb 0.18 -0.07 0.34 0.00 1.12 0.00 0.00 29.99 31.56 1dxj n HIS 18 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1dxj h ARG 19 N 0.76 0.76 -0.60 -0.41 0.11 -1.74 -2.17 114.38 111.09 1dxj h ARG 19 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1dxj h ARG 19 Cb 0.68 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1dxj h ARG 19 CO 0.01 0.50 0.00 0.09 0.10 0.00 0.00 179.97 180.68 1dxj n ASN 20 N -4.44 3.48 -4.77 0.08 3.02 -1.26 -4.24 115.26 107.12 1dxj n ASN 20 Ca 0.05 -2.24 -0.39 0.00 -0.03 0.00 0.00 54.58 51.97 1dxj n ASN 20 Cb 0.05 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 1dxj n ASN 20 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1dxj s ASP 21 N -0.85 5.99 0.32 6.41 -1.08 -0.82 -4.76 116.67 121.88 1dxj s ASP 21 Ca 0.38 2.80 0.23 0.00 -0.52 0.00 0.00 52.55 55.43 1dxj s ASP 21 Cb 0.23 -2.65 1.16 0.00 -1.46 0.00 0.00 42.92 40.20 1dxj s ASP 21 CO 0.20 -1.09 1.69 -0.81 0.52 0.00 0.00 175.17 175.68 1dxj n PRO 22 N -0.16 0.16 0.00 4.34 -0.04 -1.26 -0.70 135.00 137.34 1dxj n PRO 22 Ca 0.05 0.59 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 1dxj n PRO 22 Cb 0.43 -1.95 0.60 0.00 -0.04 0.00 0.00 33.50 32.53 1dxj n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dxj n ALA 23 N -1.79 2.74 -2.87 0.55 0.00 -1.26 -4.85 120.51 113.03 1dxj n ALA 23 Ca -0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1dxj n ALA 23 Cb 0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 1dxj n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dxj h GLU 25 N 1.56 0.33 -0.29 0.00 4.81 -1.20 -3.40 114.58 116.40 1dxj h GLU 25 Ca -0.49 -0.53 0.05 0.00 -0.13 0.00 0.00 59.36 58.26 1dxj h GLU 25 Cb 1.23 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.72 1dxj h GLU 25 CO 0.62 1.24 -0.48 0.78 -0.73 0.00 0.00 179.01 180.44 1dxj h GLY 26 N 1.32 -0.79 -6.06 1.92 0.00 -1.76 -3.47 103.07 94.24 1dxj h GLY 26 Ca -0.14 0.60 -0.41 0.00 0.00 0.00 0.00 47.33 47.37 1dxj h GLY 26 CO 0.21 -0.18 -0.82 0.28 0.00 0.00 0.00 176.54 176.03 1dxj n LYS 27 N -5.42 -5.17 -0.30 4.80 4.76 -1.26 -2.24 118.16 113.33 1dxj n LYS 27 Ca -0.03 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1dxj n LYS 27 Cb 0.36 -5.28 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 1dxj n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dxj n GLY 28 N -1.55 0.69 0.17 0.72 0.00 -1.26 -4.99 105.19 98.97 1dxj n GLY 28 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1dxj n GLY 28 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dxj h PHE 29 N 0.00 -0.31 -0.44 1.61 3.57 -1.82 -3.37 116.94 116.18 1dxj h PHE 29 Ca 0.00 -0.01 -0.67 0.00 3.53 0.00 0.00 57.97 60.82 1dxj h PHE 29 Cb 0.00 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1dxj h PHE 29 CO 0.00 0.01 2.52 0.66 -2.23 0.00 0.00 178.31 179.26 1dxj n TYR 30 N -5.10 3.94 -2.97 0.41 4.01 -1.26 -4.74 117.16 111.45 1dxj n TYR 30 Ca -0.09 -2.75 -0.29 0.00 -0.16 0.00 0.00 57.90 54.60 1dxj n TYR 30 Cb 0.24 -2.55 -0.03 0.00 -0.31 0.00 0.00 39.34 36.69 1dxj n TYR 30 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1dxj s SER 31 N 4.00 6.46 0.17 7.72 1.04 -1.26 -4.98 113.70 126.85 1dxj s SER 31 Ca 0.52 0.98 -0.11 0.00 0.48 0.00 0.00 55.95 57.82 1dxj s SER 31 Cb 0.08 -2.26 0.07 0.00 0.10 0.00 0.00 66.02 64.01 1dxj s SER 31 CO 0.02 -0.37 1.70 0.22 0.98 0.00 0.00 173.24 175.79 1dxj h TYR 32 N 1.23 0.96 -0.93 5.02 3.20 -1.96 -1.90 116.97 122.60 1dxj h TYR 32 Ca -0.47 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.31 1dxj h TYR 32 Cb 1.19 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 1dxj h TYR 32 CO 0.59 0.80 0.61 -0.97 -1.64 0.00 0.00 178.16 177.56 1dxj h ASN 33 N 0.85 1.07 -0.41 -2.11 -0.73 -1.99 -0.58 115.58 111.67 1dxj h ASN 33 Ca 0.19 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.19 1dxj h ASN 33 Cb 0.30 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.61 1dxj h ASN 33 CO -0.00 0.78 -0.27 0.00 -0.37 0.00 0.00 177.43 177.57 1dxj h ALA 34 N 1.41 0.69 0.46 1.57 0.00 -1.89 -1.30 119.26 120.21 1dxj h ALA 34 Ca 0.34 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1dxj h ALA 34 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1dxj h ALA 34 CO -0.07 0.67 -0.22 0.35 0.00 0.00 0.00 179.25 179.98 1dxj h PHE 35 N 0.80 -0.58 -0.17 0.00 3.57 -0.67 -1.78 116.94 118.11 1dxj h PHE 35 Ca 0.09 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1dxj h PHE 35 Cb 0.84 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1dxj h PHE 35 CO 0.05 -0.32 -0.18 -0.39 -2.23 0.00 0.00 178.31 175.24 1dxj h VAL 36 N -0.69 1.21 -0.43 1.41 -1.51 -1.14 -0.35 116.25 114.76 1dxj h VAL 36 Ca -0.06 -0.95 -0.04 0.00 -1.23 0.00 0.00 66.70 64.42 1dxj h VAL 36 Cb 0.51 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 1dxj h VAL 36 CO 0.10 0.30 0.12 0.74 -1.23 0.00 0.00 177.57 177.60 1dxj h THR 37 N 0.27 1.22 -0.38 7.19 2.02 -1.16 -2.31 112.91 119.76 1dxj h THR 37 Ca 0.05 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.35 1dxj h THR 37 Cb 0.47 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1dxj h THR 37 CO 0.03 0.27 -0.28 0.00 0.37 0.00 0.00 175.52 175.91 1dxj h ALA 38 N 0.97 0.54 -0.53 6.16 0.00 -1.09 -3.16 119.26 122.14 1dxj h ALA 38 Ca 0.14 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1dxj h ALA 38 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1dxj h ALA 38 CO -0.00 0.56 0.35 0.00 0.00 0.00 0.00 179.25 180.16 1dxj h ALA 39 N 0.78 1.68 0.00 0.00 0.00 -0.93 -2.22 119.26 118.57 1dxj h ALA 39 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dxj h ALA 39 Cb 0.85 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1dxj h ALA 39 CO 0.07 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.57 1dxj h ARG 40 N 0.67 0.00 0.00 0.00 3.08 -1.38 -1.45 114.38 115.29 1dxj h ARG 40 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1dxj h ARG 40 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1dxj h ARG 40 CO -0.05 0.04 0.00 0.45 -1.07 0.00 0.00 179.97 179.34 1dxj n SER 41 N -3.26 0.66 -4.03 7.04 2.88 -0.83 -4.50 113.62 111.57 1dxj n SER 41 Ca -0.01 0.61 -0.32 0.00 -1.33 0.00 0.00 58.87 57.81 1dxj n SER 41 Cb 0.20 -0.77 -0.14 0.00 -0.75 0.00 0.00 64.21 62.76 1dxj n SER 41 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1dxj s PHE 42 N -3.18 3.57 0.27 0.66 0.40 -0.55 -5.08 117.98 114.07 1dxj s PHE 42 Ca 0.08 -2.91 -0.30 0.00 -0.60 0.00 0.00 56.93 53.20 1dxj s PHE 42 Cb 0.11 -2.99 -0.11 0.00 0.51 0.00 0.00 43.02 40.54 1dxj s PHE 42 CO 0.49 -0.90 1.61 0.20 0.70 0.00 0.00 175.22 177.32 1dxj s GLY 43 N 0.79 1.93 0.00 4.36 0.00 -1.26 -2.16 107.32 110.98 1dxj s GLY 43 Ca 0.12 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.39 1dxj s GLY 43 CO -0.05 2.60 0.00 0.61 0.00 0.00 0.00 173.10 176.26 1dxj n GLY 44 N 2.59 2.64 3.63 0.20 0.00 -1.26 -5.04 105.19 107.95 1dxj n GLY 44 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1dxj n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dxj s PHE 45 N -2.70 2.00 -0.08 1.61 5.36 -0.92 -2.65 117.98 120.61 1dxj s PHE 45 Ca 0.00 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 1dxj s PHE 45 Cb 0.00 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 1dxj s PHE 45 CO 0.00 -3.15 0.00 0.41 -1.46 0.00 0.00 175.22 171.02 1dxj n GLY 46 N 4.72 0.32 0.25 13.12 0.00 -1.26 -4.62 105.19 117.72 1dxj n GLY 46 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.21 1dxj n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dxj n THR 47 N -2.51 0.68 -4.08 2.61 -2.24 -1.08 -4.55 114.28 103.11 1dxj n THR 47 Ca -0.01 -0.80 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 1dxj n THR 47 Cb 0.26 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.70 1dxj n THR 47 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1dxj s THR 48 N -0.99 3.88 0.00 4.28 2.01 -1.18 -4.87 115.64 118.77 1dxj s THR 48 Ca 0.10 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1dxj s THR 48 Cb 0.09 -2.75 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1dxj s THR 48 CO 0.01 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1dxj n GLY 49 N 4.28 -1.83 3.71 4.40 0.00 -1.26 -4.01 105.19 110.47 1dxj n GLY 49 Ca -0.17 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1dxj n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dxj s ASP 50 N -3.98 3.01 0.27 1.61 -4.77 -1.26 -4.74 116.67 106.81 1dxj s ASP 50 Ca 0.00 1.20 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 1dxj s ASP 50 Cb 0.00 -1.86 0.55 0.00 -1.09 0.00 0.00 42.92 40.52 1dxj s ASP 50 CO 0.00 -2.89 1.79 0.74 0.70 0.00 0.00 175.17 175.51 1dxj h THR 51 N -1.73 0.81 -0.05 2.11 2.02 -2.00 -1.78 112.91 112.30 1dxj h THR 51 Ca -0.53 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 1dxj h THR 51 Cb 1.32 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1dxj h THR 51 CO 0.58 0.14 -0.36 0.78 0.37 0.00 0.00 175.52 177.03 1dxj h ASN 52 N 0.78 0.09 -0.26 4.18 2.35 -1.97 -1.62 115.58 119.12 1dxj h ASN 52 Ca 0.48 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 56.03 1dxj h ASN 52 Cb 0.60 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 1dxj h ASN 52 CO -0.32 0.45 -0.46 0.74 -1.65 0.00 0.00 177.43 176.19 1dxj h THR 53 N 0.08 1.28 -0.37 2.81 2.02 -1.66 0.39 112.91 117.46 1dxj h THR 53 Ca 0.01 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 1dxj h THR 53 Cb 0.68 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1dxj h THR 53 CO 0.05 0.54 0.11 0.03 0.37 0.00 0.00 175.52 176.61 1dxj h ARG 54 N 0.66 0.59 -0.69 6.66 3.08 -1.12 0.27 114.38 123.83 1dxj h ARG 54 Ca 0.04 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1dxj h ARG 54 Cb 1.04 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1dxj h ARG 54 CO 0.10 0.61 0.28 0.87 -1.07 0.00 0.00 179.97 180.77 1dxj h LYS 55 N 0.46 1.02 -0.53 0.04 1.57 -1.21 -2.37 116.57 115.56 1dxj h LYS 55 Ca 0.12 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1dxj h LYS 55 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1dxj h LYS 55 CO -0.00 0.85 0.12 -0.09 -0.57 0.00 0.00 179.45 179.75 1dxj h ARG 56 N 0.98 0.81 -0.43 3.15 2.43 -0.65 -0.40 114.38 120.26 1dxj h ARG 56 Ca 0.23 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1dxj h ARG 56 Cb 0.20 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1dxj h ARG 56 CO -0.02 0.73 0.13 1.49 -1.51 0.00 0.00 179.97 180.80 1dxj h GLU 57 N 0.78 0.68 -0.61 0.20 4.81 -0.65 -0.59 114.58 119.19 1dxj h GLU 57 Ca 0.17 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1dxj h GLU 57 Cb 0.30 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1dxj h GLU 57 CO -0.00 0.66 0.17 0.28 -0.73 0.00 0.00 179.01 179.40 1dxj h VAL 58 N 0.56 1.25 -0.45 0.32 2.07 -1.18 -1.26 116.25 117.56 1dxj h VAL 58 Ca 0.14 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1dxj h VAL 58 Cb 0.27 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1dxj h VAL 58 CO -0.00 0.33 0.16 0.00 0.02 0.00 0.00 177.57 178.07 1dxj h ALA 59 N 1.05 0.59 -0.47 1.67 0.00 -0.90 -1.02 119.26 120.17 1dxj h ALA 59 Ca 0.20 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1dxj h ALA 59 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1dxj h ALA 59 CO -0.00 0.22 -0.11 0.00 0.00 0.00 0.00 179.25 179.36 1dxj h ALA 60 N 1.01 0.65 0.04 0.00 0.00 -1.02 -0.39 119.26 119.54 1dxj h ALA 60 Ca 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1dxj h ALA 60 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dxj h ALA 60 CO -0.01 0.54 -0.02 0.35 0.00 0.00 0.00 179.25 180.12 1dxj h PHE 61 N 0.75 -0.05 -0.19 0.00 3.57 -1.16 -2.00 116.94 117.86 1dxj h PHE 61 Ca 0.12 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 1dxj h PHE 61 Cb 0.65 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1dxj h PHE 61 CO 0.05 0.10 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.99 1dxj h LEU 62 N -0.19 0.30 0.06 0.59 3.38 -1.17 -2.16 115.31 116.12 1dxj h LEU 62 Ca -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1dxj h LEU 62 Cb 0.18 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dxj h LEU 62 CO 0.01 0.50 -0.03 0.00 0.09 0.00 0.00 178.44 179.01 1dxj h ALA 63 N 1.53 -0.08 -0.23 1.53 0.00 -0.92 0.13 119.26 121.22 1dxj h ALA 63 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1dxj h ALA 63 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1dxj h ALA 63 CO 0.03 -0.40 0.14 1.96 0.00 0.00 0.00 179.25 180.98 1dxj h GLN 64 N -0.37 0.28 0.00 0.00 1.08 -1.31 -2.08 115.11 112.71 1dxj h GLN 64 Ca -0.01 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 1dxj h GLN 64 Cb 0.33 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1dxj h GLN 64 CO 0.01 0.18 -0.48 1.79 -0.95 0.00 0.00 178.83 179.39 1dxj h THR 65 N 0.29 1.28 -0.57 -0.54 1.35 -1.43 -2.71 112.91 110.58 1dxj h THR 65 Ca 0.09 -1.69 -0.10 0.00 -0.55 0.00 0.00 66.41 64.17 1dxj h THR 65 Cb -0.01 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1dxj h THR 65 CO -0.04 0.47 -0.02 0.28 -0.25 0.00 0.00 175.52 175.97 1dxj h SER 66 N 0.00 1.00 -0.48 5.36 0.02 -0.76 -2.50 113.55 116.19 1dxj h SER 66 Ca -0.00 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1dxj h SER 66 Cb 0.89 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1dxj h SER 66 CO 0.06 1.07 0.26 -0.74 -1.14 0.00 0.00 176.83 176.35 1dxj h HIS 67 N 0.91 0.66 0.00 3.45 6.17 -1.15 -0.07 115.15 125.12 1dxj h HIS 67 Ca 0.16 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.21 1dxj h HIS 67 Cb 0.57 -0.21 -0.00 0.00 2.52 0.00 0.00 27.41 30.29 1dxj h HIS 67 CO 0.04 0.50 -0.04 0.93 0.71 0.00 0.00 177.93 180.07 1dxj h GLU 68 N 0.64 0.00 -0.01 5.26 4.39 -1.18 -3.02 114.58 120.65 1dxj h GLU 68 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1dxj h GLU 68 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1dxj h GLU 68 CO -0.03 0.04 0.00 0.25 -1.16 0.00 0.00 179.01 178.11 1dxj n THR 69 N -3.97 1.76 -1.97 1.13 -2.24 -0.97 -4.86 114.28 103.16 1dxj n THR 69 Ca -0.03 -2.04 -0.41 0.00 -2.27 0.00 0.00 64.05 59.30 1dxj n THR 69 Cb 0.13 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 1dxj n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1dxj s THR 70 N -2.56 2.46 -0.16 4.28 -1.32 -0.06 -1.40 115.64 116.87 1dxj s THR 70 Ca 0.27 0.43 0.17 0.00 -1.21 0.00 0.00 61.69 61.35 1dxj s THR 70 Cb 0.24 -3.27 0.37 0.00 -1.51 0.00 0.00 72.50 68.32 1dxj s THR 70 CO 0.03 0.09 1.25 0.61 -2.21 0.00 0.00 174.62 174.38 1dxj n GLY 71 N 1.22 4.43 3.91 6.08 0.00 -0.34 -4.77 105.19 115.72 1dxj n GLY 71 Ca 0.03 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1dxj n GLY 71 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dxj s GLY 72 N -2.40 1.68 0.27 -0.02 0.00 -1.26 -4.95 107.32 100.65 1dxj s GLY 72 Ca 0.34 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 1dxj s GLY 72 CO 0.05 -0.53 0.63 0.00 0.00 0.00 0.00 173.10 173.26 1dxj s ALA 73 N -2.23 -0.83 0.10 3.20 0.00 -1.26 -4.95 121.76 115.79 1dxj s ALA 73 Ca 0.44 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1dxj s ALA 73 Cb -0.10 0.93 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 1dxj s ALA 73 CO 0.33 -0.97 1.65 0.00 0.00 0.00 0.00 175.76 176.77 1dxj s ALA 74 N -3.91 3.72 0.00 0.00 0.00 -1.26 -2.09 121.76 118.22 1dxj s ALA 74 Ca 0.16 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1dxj s ALA 74 Cb -0.04 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1dxj s ALA 74 CO 0.08 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1dxj n GLY 75 N 3.95 0.55 3.72 0.00 0.00 -1.26 -5.03 105.19 107.12 1dxj n GLY 75 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1dxj n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dxj s SER 76 N -2.30 4.32 0.22 1.61 0.01 -0.89 -4.88 113.70 111.80 1dxj s SER 76 Ca 0.00 2.51 -0.32 0.00 1.31 0.00 0.00 55.95 59.45 1dxj s SER 76 Cb 0.00 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.50 1dxj s SER 76 CO 0.00 -2.19 1.69 -2.65 0.41 0.00 0.00 173.24 170.51 1dxj n PRO 77 N -2.35 2.73 -1.02 12.44 -0.02 -1.26 -0.60 135.00 144.91 1dxj n PRO 77 Ca 0.15 0.98 -0.01 0.00 -2.02 0.00 0.00 63.50 62.60 1dxj n PRO 77 Cb 0.49 -2.81 -0.00 0.00 -0.02 0.00 0.00 33.50 31.15 1dxj n PRO 77 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dxj n ASP 78 N 3.63 -4.28 0.00 2.55 8.00 -1.26 -4.82 116.55 120.37 1dxj n ASP 78 Ca 0.15 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1dxj n ASP 78 Cb 0.35 -1.85 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 1dxj n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dxj n GLY 79 N -1.33 -1.33 0.27 0.44 0.00 0.23 -4.35 105.19 99.12 1dxj n GLY 79 Ca -0.01 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.53 1dxj n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dxj h PRO 80 N 0.00 0.00 -0.65 1.61 0.13 -1.79 -2.92 132.00 128.38 1dxj h PRO 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1dxj h PRO 80 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1dxj h PRO 80 CO 0.00 0.07 0.00 0.66 -0.23 0.00 0.00 178.00 178.50 1dxj n TYR 81 N -4.03 0.75 0.01 1.56 4.01 -1.26 -3.04 117.16 115.17 1dxj n TYR 81 Ca -0.03 -0.28 0.02 0.00 -0.16 0.00 0.00 57.90 57.45 1dxj n TYR 81 Cb 0.16 -0.19 0.05 0.00 -0.31 0.00 0.00 39.34 39.05 1dxj n TYR 81 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dxj n ALA 82 N 0.33 2.20 -1.29 -0.72 0.00 -1.10 -4.70 120.51 115.24 1dxj n ALA 82 Ca 0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.67 1dxj n ALA 82 Cb 0.53 -0.16 0.22 0.00 0.00 0.00 0.00 19.45 20.04 1dxj n ALA 82 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1dxj n TRP 83 N 0.00 1.03 -1.52 0.00 7.02 -1.17 -3.45 117.44 119.36 1dxj n TRP 83 Ca 0.04 -1.35 -0.32 0.00 -1.02 0.00 0.00 57.50 54.84 1dxj n TRP 83 Cb 0.25 -0.43 0.07 0.00 -2.42 0.00 0.00 31.31 28.78 1dxj n TRP 83 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1dxj s GLY 84 N -2.34 1.91 -1.57 6.99 0.00 -1.26 -1.20 107.32 109.85 1dxj s GLY 84 Ca 0.44 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.53 1dxj s GLY 84 CO 0.03 0.75 0.27 -1.72 0.00 0.00 0.00 173.10 172.42 1dxj n TYR 85 N -2.95 -1.35 0.13 1.90 4.02 -1.23 -4.31 117.16 113.36 1dxj n TYR 85 Ca 0.10 0.23 -0.24 0.00 -0.01 0.00 0.00 57.90 57.98 1dxj n TYR 85 Cb 0.53 -4.01 -0.16 0.00 -0.02 0.00 0.00 39.34 35.67 1dxj n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dxj s PHE 87 N -2.60 3.14 -0.12 0.00 0.08 -0.53 -0.72 117.98 117.22 1dxj s PHE 87 Ca -0.10 0.03 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1dxj s PHE 87 Cb 0.05 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.85 1dxj s PHE 87 CO 0.92 0.52 -0.11 0.28 -0.10 0.00 0.00 175.22 176.73 1dxj n VAL 88 N 0.18 0.71 -4.42 -0.44 0.31 -1.26 -4.76 118.33 108.65 1dxj n VAL 88 Ca -0.09 -0.27 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 1dxj n VAL 88 Cb 0.53 -0.96 -0.10 0.00 -0.91 0.00 0.00 33.84 32.39 1dxj n VAL 88 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1dxj s THR 89 N -2.25 2.26 0.44 2.52 -4.23 -1.26 -0.53 115.64 112.60 1dxj s THR 89 Ca -0.17 -2.25 -0.25 0.00 -1.18 0.00 0.00 61.69 57.84 1dxj s THR 89 Cb 0.04 -2.17 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 1dxj s THR 89 CO 0.28 -0.37 1.37 -0.70 -0.54 0.00 0.00 174.62 174.66 1dxj s GLU 90 N -3.29 3.75 0.18 3.99 2.12 -0.44 -4.93 118.70 120.09 1dxj s GLU 90 Ca 0.25 2.29 -0.10 0.00 0.36 0.00 0.00 54.97 57.77 1dxj s GLU 90 Cb -0.05 -2.66 0.07 0.00 0.26 0.00 0.00 34.13 31.75 1dxj s GLU 90 CO 0.12 -0.72 1.67 0.00 -0.54 0.00 0.00 175.26 175.79 1dxj h ARG 91 N 2.38 1.00 -5.61 4.30 2.47 -2.00 -3.40 114.38 113.53 1dxj h ARG 91 Ca -0.50 -0.26 -0.62 0.00 -1.26 0.00 0.00 59.98 57.34 1dxj h ARG 91 Cb 1.26 -0.12 -0.12 0.00 -1.65 0.00 0.00 29.97 29.34 1dxj h ARG 91 CO 0.61 0.93 0.25 0.34 0.56 0.00 0.00 179.97 182.66 1dxj s ASP 92 N -6.37 6.51 -0.22 7.04 -1.08 -1.26 -4.93 116.67 116.37 1dxj s ASP 92 Ca -0.12 0.35 0.14 0.00 -0.52 0.00 0.00 52.55 52.40 1dxj s ASP 92 Cb 0.13 -2.36 0.52 0.00 -1.46 0.00 0.00 42.92 39.76 1dxj s ASP 92 CO 0.83 -0.61 1.44 0.29 0.52 0.00 0.00 175.17 177.65 1dxj n LYS 93 N 6.13 2.56 0.09 4.34 5.02 -1.26 -4.55 118.16 130.48 1dxj n LYS 93 Ca 0.01 -2.94 0.12 0.00 -2.02 0.00 0.00 58.31 53.47 1dxj n LYS 93 Cb 0.48 -1.84 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1dxj n LYS 93 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1dxj h SER 94 N 1.51 0.00 -3.68 4.39 4.64 -1.97 -3.45 113.55 114.99 1dxj h SER 94 Ca 0.08 -0.08 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1dxj h SER 94 Cb 1.54 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.49 1dxj h SER 94 CO 0.29 0.04 -0.25 0.21 -0.87 0.00 0.00 176.83 176.25 1dxj s ASN 95 N -5.00 6.27 0.37 4.97 3.84 -1.26 -4.97 114.94 119.17 1dxj s ASN 95 Ca 0.02 0.31 0.18 0.00 0.21 0.00 0.00 52.86 53.59 1dxj s ASN 95 Cb 0.11 -2.21 0.69 0.00 -0.55 0.00 0.00 41.25 39.30 1dxj s ASN 95 CO 0.76 -0.15 1.75 0.11 -2.79 0.00 0.00 177.10 176.78 1dxj h LYS 96 N 8.00 0.00 -6.13 0.43 1.57 -1.92 -3.38 116.57 115.15 1dxj h LYS 96 Ca -0.33 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.02 1dxj h LYS 96 Cb 1.16 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.51 1dxj h LYS 96 CO 0.65 0.38 -0.80 0.66 -0.57 0.00 0.00 179.45 179.77 1dxj n TYR 97 N -3.58 -2.07 -3.61 -1.35 4.01 -1.26 -0.01 117.16 109.29 1dxj n TYR 97 Ca -0.00 0.87 -0.39 0.00 -0.16 0.00 0.00 57.90 58.21 1dxj n TYR 97 Cb 0.50 -4.33 -0.11 0.00 -0.31 0.00 0.00 39.34 35.09 1dxj n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dxj s ASP 99 N 1.65 6.99 0.46 0.00 1.11 -1.26 -4.99 116.67 120.62 1dxj s ASP 99 Ca 0.05 1.21 0.29 0.00 0.18 0.00 0.00 52.55 54.29 1dxj s ASP 99 Cb -0.17 -2.34 1.37 0.00 1.07 0.00 0.00 42.92 42.85 1dxj s ASP 99 CO 0.08 0.21 1.71 1.55 1.18 0.00 0.00 175.17 179.89 1dxj h PRO 100 N 4.16 0.16 0.00 8.23 0.13 -1.99 -2.75 132.00 139.94 1dxj h PRO 100 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1dxj h PRO 100 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dxj h PRO 100 CO 0.64 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 1dxj n GLY 101 N -1.60 -1.57 3.56 1.56 0.00 -1.26 -4.85 105.19 101.03 1dxj n GLY 101 Ca 0.31 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 1dxj n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dxj s THR 102 N -3.11 3.15 0.74 2.61 2.01 -1.04 -5.10 115.64 114.91 1dxj s THR 102 Ca 0.10 -1.57 -0.15 0.00 0.31 0.00 0.00 61.69 60.38 1dxj s THR 102 Cb 0.13 -2.53 0.05 0.00 0.01 0.00 0.00 72.50 70.16 1dxj s THR 102 CO 0.54 -0.04 1.22 -2.16 -0.69 0.00 0.00 174.62 173.50 1dxj s PRO 103 N -2.60 2.02 -0.41 4.92 0.04 -1.26 -4.77 135.00 132.93 1dxj s PRO 103 Ca 0.23 1.82 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1dxj s PRO 103 Cb -0.09 -1.81 0.20 0.00 0.04 0.00 0.00 34.50 32.83 1dxj s PRO 103 CO 0.14 -1.94 0.42 0.00 0.04 0.00 0.00 177.00 175.66 1dxj n PRO 105 N 2.41 0.65 -1.72 0.00 -0.02 -1.26 -4.87 135.00 130.18 1dxj n PRO 105 Ca 0.26 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1dxj n PRO 105 Cb 0.50 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1dxj n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dxj n ALA 106 N -1.57 2.78 -1.09 3.55 0.00 -1.26 -2.71 120.51 120.22 1dxj n ALA 106 Ca 0.12 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.93 1dxj n ALA 106 Cb 0.46 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.38 1dxj n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dxj n GLY 107 N 3.92 0.62 3.49 0.00 0.00 -1.26 -5.04 105.19 106.91 1dxj n GLY 107 Ca 0.16 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1dxj n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxj s LYS 108 N -1.79 2.35 0.08 1.61 -0.14 -1.10 -5.13 119.74 115.62 1dxj s LYS 108 Ca 0.00 -0.81 0.06 0.00 -1.36 0.00 0.00 55.97 53.86 1dxj s LYS 108 Cb 0.00 -2.33 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 1dxj s LYS 108 CO 0.00 0.59 -0.15 -1.12 -0.76 0.00 0.00 175.35 173.91 1dxj s SER 109 N -1.12 1.80 -0.31 2.83 0.01 -1.26 -4.87 113.70 110.78 1dxj s SER 109 Ca 0.14 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.84 1dxj s SER 109 Cb -0.11 -0.06 0.46 0.00 0.21 0.00 0.00 66.02 66.52 1dxj s SER 109 CO 0.04 -0.06 1.18 -1.22 0.41 0.00 0.00 173.24 173.59 1dxj n TYR 110 N 1.25 2.82 -1.38 2.43 4.01 0.99 -4.86 117.16 122.42 1dxj n TYR 110 Ca -0.21 -2.31 -0.29 0.00 -0.16 0.00 0.00 57.90 54.93 1dxj n TYR 110 Cb 0.54 -0.32 0.14 0.00 -0.31 0.00 0.00 39.34 39.39 1dxj n TYR 110 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1dxj s TYR 111 N -3.59 2.44 0.21 -0.72 -0.85 -1.26 -0.98 117.35 112.59 1dxj s TYR 111 Ca 0.51 1.03 -0.32 0.00 -0.52 0.00 0.00 57.07 57.77 1dxj s TYR 111 Cb 0.41 -3.25 -0.14 0.00 0.38 0.00 0.00 41.96 39.36 1dxj s TYR 111 CO 0.02 -2.38 1.48 0.41 -1.52 0.00 0.00 175.55 173.55 1dxj n GLY 112 N -1.68 0.92 3.14 5.49 0.00 -1.24 -4.61 105.19 107.21 1dxj n GLY 112 Ca 0.06 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1dxj n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dxj s ARG 113 N 0.08 0.40 0.13 1.61 0.52 -1.07 -1.33 118.95 119.30 1dxj s ARG 113 Ca 0.72 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.99 1dxj s ARG 113 Cb -0.66 0.18 0.00 0.00 0.52 0.00 0.00 34.95 34.99 1dxj s ARG 113 CO 0.45 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.10 1dxj n GLY 114 N 2.27 -2.42 0.35 -3.53 0.00 0.31 -1.63 105.19 100.54 1dxj n GLY 114 Ca -0.17 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1dxj n GLY 114 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dxj h PRO 115 N 0.00 0.45 -0.52 1.61 0.11 -1.88 -0.84 132.00 130.93 1dxj h PRO 115 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1dxj h PRO 115 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1dxj h PRO 115 CO 0.00 0.30 0.00 1.51 -0.21 0.00 0.00 178.00 179.60 1dxj n ILE 116 N -4.48 0.78 -3.84 4.15 0.13 -1.26 -4.49 119.36 110.35 1dxj n ILE 116 Ca 0.10 -0.89 -0.29 0.00 -1.10 0.00 0.00 62.75 60.57 1dxj n ILE 116 Cb 0.36 0.70 0.01 0.00 -0.84 0.00 0.00 39.64 39.87 1dxj n ILE 116 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1dxj n GLN 117 N 1.36 -2.30 -1.65 9.51 1.13 -0.32 -4.85 117.38 120.25 1dxj n GLN 117 Ca 0.20 0.41 -0.48 0.00 -1.94 0.00 0.00 57.00 55.19 1dxj n GLN 117 Cb 0.57 -4.25 -0.05 0.00 0.11 0.00 0.00 30.24 26.62 1dxj n GLN 117 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1dxj n LEU 118 N -4.35 2.75 -4.07 1.08 7.94 -0.65 -4.26 117.00 115.44 1dxj n LEU 118 Ca -0.21 1.08 -0.10 0.00 -1.11 0.00 0.00 56.01 55.67 1dxj n LEU 118 Cb 0.64 -1.35 -0.11 0.00 0.53 0.00 0.00 43.42 43.13 1dxj n LEU 118 CO 0.72 -0.46 -0.38 -0.89 -1.11 0.00 0.00 177.39 175.27 1dxj s THR 119 N 1.19 0.39 0.00 1.96 2.01 -1.26 -2.59 115.64 117.35 1dxj s THR 119 Ca 0.82 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1dxj s THR 119 Cb -0.76 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1dxj s THR 119 CO 0.42 -0.62 0.00 1.41 -0.69 0.00 0.00 174.62 175.14 1dxj n HIS 120 N 0.96 0.00 -0.32 4.92 8.25 -0.15 -4.38 115.22 124.49 1dxj n HIS 120 Ca -0.19 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1dxj n HIS 120 Cb 0.57 -1.07 0.28 0.00 1.12 0.00 0.00 29.99 30.89 1dxj n HIS 120 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1dxj h ASN 121 N 0.00 0.84 0.34 0.41 -1.07 -1.47 -1.50 115.58 113.13 1dxj h ASN 121 Ca 0.00 0.04 -0.07 0.00 0.07 0.00 0.00 56.30 56.34 1dxj h ASN 121 Cb 0.00 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 36.11 1dxj h ASN 121 CO 0.00 0.46 -0.32 0.10 0.07 0.00 0.00 177.43 177.74 1dxj h TYR 122 N 0.91 0.00 0.01 4.14 -0.00 -1.88 -0.49 116.97 119.66 1dxj h TYR 122 Ca 0.46 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.98 1dxj h TYR 122 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.23 1dxj h TYR 122 CO -0.00 0.32 -0.93 -0.91 -0.00 0.00 0.00 178.16 176.64 1dxj h ASN 123 N 0.00 0.39 -0.49 0.10 2.35 -1.49 -1.94 115.58 114.50 1dxj h ASN 123 Ca -0.00 -0.32 -0.11 0.00 -0.55 0.00 0.00 56.30 55.31 1dxj h ASN 123 Cb 0.57 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1dxj h ASN 123 CO 0.04 1.13 -0.11 1.88 -1.65 0.00 0.00 177.43 178.72 1dxj h TYR 124 N 0.16 1.08 -0.31 1.19 -1.99 -0.93 -1.28 116.97 114.88 1dxj h TYR 124 Ca -0.07 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 1dxj h TYR 124 Cb 1.57 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 40.01 1dxj h TYR 124 CO 0.05 1.01 0.16 0.00 -0.00 0.00 0.00 178.16 179.37 1dxj h ALA 125 N 1.00 0.40 0.07 3.88 0.00 -1.04 0.83 119.26 124.39 1dxj h ALA 125 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dxj h ALA 125 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1dxj h ALA 125 CO 0.05 -0.05 -0.03 1.96 0.00 0.00 0.00 179.25 181.18 1dxj h GLN 126 N 0.37 -0.09 -0.75 0.00 4.20 -1.25 -1.75 115.11 115.85 1dxj h GLN 126 Ca 0.11 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1dxj h GLN 126 Cb 0.10 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1dxj h GLN 126 CO -0.01 0.07 0.48 0.00 -0.67 0.00 0.00 178.83 178.70 1dxj h ALA 127 N 0.68 0.97 -0.35 3.87 0.00 -1.19 -2.27 119.26 120.98 1dxj h ALA 127 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1dxj h ALA 127 Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1dxj h ALA 127 CO 0.02 0.30 0.17 0.78 0.00 0.00 0.00 179.25 180.51 1dxj h GLY 128 N 0.95 0.47 1.33 0.00 0.00 -0.71 -0.99 103.07 104.11 1dxj h GLY 128 Ca 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1dxj h GLY 128 CO -0.10 0.08 0.13 3.21 0.00 0.00 0.00 176.54 179.87 1dxj h ARG 129 N 0.34 0.84 -0.11 4.80 3.08 -1.10 0.92 114.38 123.16 1dxj h ARG 129 Ca 0.15 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 1dxj h ARG 129 Cb 0.07 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1dxj h ARG 129 CO -0.11 0.76 -0.71 0.00 -1.07 0.00 0.00 179.97 178.83 1dxj h ALA 130 N 1.33 0.56 0.00 0.04 0.00 -1.13 -3.22 119.26 116.84 1dxj h ALA 130 Ca 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1dxj h ALA 130 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dxj h ALA 130 CO -0.00 0.74 -0.51 1.28 0.00 0.00 0.00 179.25 180.76 1dxj n LEU 131 N -3.87 0.54 -1.23 0.00 4.77 -0.40 -4.97 117.00 111.84 1dxj n LEU 131 Ca -0.05 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 1dxj n LEU 131 Cb 0.70 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1dxj n LEU 131 CO 0.49 0.03 0.02 0.61 -1.33 0.00 0.00 177.39 177.21 1dxj n GLY 132 N 1.43 0.33 3.02 -0.72 0.00 0.23 -5.05 105.19 104.42 1dxj n GLY 132 Ca 0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.44 1dxj n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxj s VAL 133 N -2.82 0.57 -1.07 1.61 1.01 -0.69 -5.04 120.40 113.97 1dxj s VAL 133 Ca 0.12 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 1dxj s VAL 133 Cb -0.05 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.85 1dxj s VAL 133 CO 0.15 -0.01 1.51 -0.62 0.00 0.00 0.00 175.10 176.13 1dxj s ASP 134 N -0.61 6.55 0.10 3.32 2.15 -1.26 -4.35 116.67 122.57 1dxj s ASP 134 Ca -0.01 -1.63 0.25 0.00 0.43 0.00 0.00 52.55 51.60 1dxj s ASP 134 Cb -0.05 -2.57 0.56 0.00 -0.30 0.00 0.00 42.92 40.56 1dxj s ASP 134 CO 0.00 -1.46 1.49 0.18 -0.17 0.00 0.00 175.17 175.21 1dxj n LEU 135 N 8.85 0.61 -0.05 -1.34 4.77 -1.26 -2.40 117.00 126.18 1dxj n LEU 135 Ca 0.36 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.47 1dxj n LEU 135 Cb 0.50 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1dxj n LEU 135 CO 0.68 -0.04 0.42 0.40 -1.33 0.00 0.00 177.39 177.52 1dxj h ILE 136 N 0.00 1.32 0.00 -0.08 1.08 -1.86 -2.27 117.51 115.70 1dxj h ILE 136 Ca 0.00 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1dxj h ILE 136 Cb 0.67 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1dxj h ILE 136 CO 0.00 0.54 -0.63 0.78 -0.69 0.00 0.00 178.15 178.14 1dxj h ASN 137 N 0.34 0.00 -2.00 1.72 2.35 -1.98 -3.39 115.58 112.63 1dxj h ASN 137 Ca -0.01 -0.16 -0.51 0.00 -0.55 0.00 0.00 56.30 55.07 1dxj h ASN 137 Cb 1.10 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.06 1dxj h ASN 137 CO 0.11 0.08 -0.99 0.59 -1.65 0.00 0.00 177.43 175.57 1dxj n ASN 138 N -2.26 2.31 0.28 5.81 3.02 -1.01 -4.91 115.26 118.50 1dxj n ASN 138 Ca 0.03 -3.25 0.14 0.00 -0.03 0.00 0.00 54.58 51.47 1dxj n ASN 138 Cb 0.46 -0.58 0.82 0.00 -0.61 0.00 0.00 39.78 39.86 1dxj n ASN 138 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1dxj h PRO 139 N 2.97 0.00 0.00 3.52 0.13 -1.60 -2.25 132.00 134.77 1dxj h PRO 139 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1dxj h PRO 139 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1dxj h PRO 139 CO 0.63 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1dxj n ASP 140 N -3.73 0.59 0.15 1.44 8.00 -1.26 -2.14 116.55 119.59 1dxj n ASP 140 Ca -0.02 0.69 0.06 0.00 0.71 0.00 0.00 54.79 56.23 1dxj n ASP 140 Cb 0.17 -0.80 0.53 0.00 -0.02 0.00 0.00 41.12 40.99 1dxj n ASP 140 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dxj h LEU 141 N 0.00 0.20 -2.21 0.64 3.38 -1.79 -0.55 115.31 114.97 1dxj h LEU 141 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dxj h LEU 141 Cb 0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1dxj h LEU 141 CO 0.00 0.18 -0.01 0.58 0.09 0.00 0.00 178.44 179.28 1dxj h VAL 142 N 0.23 0.03 -0.01 1.22 2.07 -1.65 0.12 116.25 118.25 1dxj h VAL 142 Ca 0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1dxj h VAL 142 Cb 0.04 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1dxj h VAL 142 CO -0.01 0.01 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 1dxj n ALA 143 N -2.10 2.56 -0.00 1.67 0.00 -0.34 -4.00 120.51 118.29 1dxj n ALA 143 Ca -0.01 -0.56 -0.00 0.00 0.00 0.00 0.00 53.44 52.87 1dxj n ALA 143 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1dxj n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dxj n ARG 144 N 0.43 3.09 -3.53 0.00 1.74 -0.45 -4.93 116.66 113.01 1dxj n ARG 144 Ca 0.06 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 1dxj n ARG 144 Cb 0.26 -1.02 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 1dxj n ARG 144 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1dxj s ASP 145 N -3.30 5.87 0.38 0.55 -1.08 0.37 -4.97 116.67 114.48 1dxj s ASP 145 Ca -0.01 -1.20 0.06 0.00 -0.52 0.00 0.00 52.55 50.88 1dxj s ASP 145 Cb 0.00 -2.08 0.75 0.00 -1.46 0.00 0.00 42.92 40.14 1dxj s ASP 145 CO 0.03 -0.50 2.00 0.00 0.52 0.00 0.00 175.17 177.22 1dxj h ALA 146 N 8.54 1.59 -0.20 3.66 0.00 -1.85 0.26 119.26 131.25 1dxj h ALA 146 Ca -0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1dxj h ALA 146 Cb 1.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1dxj h ALA 146 CO 0.75 0.34 -0.04 0.28 0.00 0.00 0.00 179.25 180.58 1dxj h VAL 147 N 0.59 1.28 -0.63 0.00 2.07 -1.93 -1.88 116.25 115.76 1dxj h VAL 147 Ca 0.15 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1dxj h VAL 147 Cb 0.04 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1dxj h VAL 147 CO -0.02 0.31 0.18 0.40 0.02 0.00 0.00 177.57 178.46 1dxj h ILE 148 N 0.12 1.24 0.01 4.57 2.04 -1.79 -0.11 117.51 123.59 1dxj h ILE 148 Ca 0.05 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1dxj h ILE 148 Cb 0.48 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1dxj h ILE 148 CO 0.02 0.32 -0.11 -1.28 0.00 0.00 0.00 178.15 177.10 1dxj h SER 149 N 0.92 -0.30 -0.40 1.72 0.87 -0.81 -0.40 113.55 115.15 1dxj h SER 149 Ca 0.20 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.73 1dxj h SER 149 Cb 0.28 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1dxj h SER 149 CO -0.01 -0.15 -0.04 -0.26 -0.53 0.00 0.00 176.83 175.84 1dxj h PHE 150 N -0.19 0.87 -0.84 2.24 0.04 -1.11 -2.96 116.94 115.00 1dxj h PHE 150 Ca 0.04 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1dxj h PHE 150 Cb 0.23 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1dxj h PHE 150 CO -0.16 0.83 0.53 0.87 -0.60 0.00 0.00 178.31 179.77 1dxj h LYS 151 N 0.75 1.12 -0.45 1.51 1.57 -0.52 -0.96 116.57 119.59 1dxj h LYS 151 Ca 0.14 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1dxj h LYS 151 Cb 0.51 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1dxj h LYS 151 CO 0.03 0.77 0.07 1.79 -0.57 0.00 0.00 179.45 181.53 1dxj h THR 152 N 1.15 1.21 -0.08 -0.16 1.35 -0.91 0.11 112.91 115.58 1dxj h THR 152 Ca 0.30 -0.80 -0.13 0.00 -0.55 0.00 0.00 66.41 65.24 1dxj h THR 152 Cb -0.09 0.80 0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1dxj h THR 152 CO -0.06 0.29 -0.45 0.00 -0.25 0.00 0.00 175.52 175.05 1dxj h ALA 153 N 1.42 0.16 -0.24 6.62 0.00 -1.40 -2.19 119.26 123.63 1dxj h ALA 153 Ca 0.14 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1dxj h ALA 153 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dxj h ALA 153 CO 0.00 0.31 -0.39 0.82 0.00 0.00 0.00 179.25 179.99 1dxj h ILE 154 N -0.01 1.30 -0.04 0.00 2.04 -1.14 -1.86 117.51 117.79 1dxj h ILE 154 Ca -0.03 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.29 1dxj h ILE 154 Cb 1.10 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1dxj h ILE 154 CO 0.09 0.49 -0.01 -0.25 0.00 0.00 0.00 178.15 178.47 1dxj h TRP 155 N 0.46 -0.01 -0.57 1.37 7.01 -0.78 -1.23 115.95 122.20 1dxj h TRP 155 Ca 0.04 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.09 1dxj h TRP 155 Cb 0.88 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 1dxj h TRP 155 CO 0.03 -0.01 0.30 0.35 -2.79 0.00 0.00 178.44 176.33 1dxj h PHE 156 N 0.01 0.56 -0.90 2.65 3.57 -1.28 -2.15 116.94 119.40 1dxj h PHE 156 Ca 0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1dxj h PHE 156 Cb 0.03 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 1dxj h PHE 156 CO -0.11 0.28 0.59 2.35 -2.23 0.00 0.00 178.31 179.19 1dxj h TRP 157 N 0.58 1.06 -0.01 0.41 2.91 -0.89 -2.88 115.95 117.14 1dxj h TRP 157 Ca 0.25 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.30 1dxj h TRP 157 Cb 0.14 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 1dxj h TRP 157 CO -0.09 0.59 -0.17 -1.33 -1.03 0.00 0.00 178.44 176.41 1dxj n MET 158 N -4.47 0.96 -3.66 2.65 2.81 -0.50 -1.96 117.12 112.95 1dxj n MET 158 Ca 0.13 -0.51 -0.38 0.00 -1.81 0.00 0.00 57.70 55.12 1dxj n MET 158 Cb 0.15 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.06 1dxj n MET 158 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1dxj s THR 159 N -2.39 4.70 0.44 2.03 2.01 -0.92 -4.85 115.64 116.66 1dxj s THR 159 Ca 0.28 -0.27 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 1dxj s THR 159 Cb 0.20 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 69.27 1dxj s THR 159 CO 0.47 0.14 0.96 -2.16 -0.69 0.00 0.00 174.62 173.35 1dxj s PRO 160 N 1.64 4.18 -0.17 4.92 0.04 -1.26 -4.44 135.00 139.91 1dxj s PRO 160 Ca 0.05 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 1dxj s PRO 160 Cb -0.17 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.29 1dxj s PRO 160 CO 0.07 -0.08 0.23 -0.65 0.04 0.00 0.00 177.00 176.61 1dxj s GLN 161 N -3.21 0.16 5.65 4.56 -0.21 -0.66 -4.95 119.66 121.01 1dxj s GLN 161 Ca 0.62 0.40 0.00 0.00 0.02 0.00 0.00 55.36 56.41 1dxj s GLN 161 Cb -0.10 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.16 1dxj s GLN 161 CO 0.14 -0.51 0.00 0.41 -2.12 0.00 0.00 175.29 173.21 1dxj n GLY 162 N 5.33 3.64 0.00 3.09 0.00 -1.26 -0.94 105.19 115.04 1dxj n GLY 162 Ca -0.05 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1dxj n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dxj n ASN 163 N 6.21 0.00 -4.68 1.61 6.94 -1.26 -4.79 115.26 119.28 1dxj n ASN 163 Ca 0.00 -0.17 -0.38 0.00 -0.02 0.00 0.00 54.58 54.01 1dxj n ASN 163 Cb 0.00 -0.27 -0.07 0.00 -2.36 0.00 0.00 39.78 37.08 1dxj n ASN 163 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dxj s LYS 164 N -2.53 4.21 0.87 -3.83 1.02 -0.12 -5.03 119.74 114.32 1dxj s LYS 164 Ca 0.28 0.23 -0.13 0.00 0.02 0.00 0.00 55.97 56.37 1dxj s LYS 164 Cb 0.19 -3.51 0.12 0.00 -0.52 0.00 0.00 37.83 34.11 1dxj s LYS 164 CO 0.43 0.02 1.21 -1.25 -0.92 0.00 0.00 175.35 174.83 1dxj s PRO 165 N 1.13 1.45 0.50 -1.68 0.04 -1.26 -1.64 135.00 133.54 1dxj s PRO 165 Ca 0.20 0.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.05 1dxj s PRO 165 Cb -0.15 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1dxj s PRO 165 CO 0.08 -1.93 1.01 -1.54 0.04 0.00 0.00 177.00 174.66 1dxj s SER 166 N -4.57 6.40 0.35 6.66 1.04 -1.26 -4.67 113.70 117.66 1dxj s SER 166 Ca 0.65 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.91 1dxj s SER 166 Cb -0.10 -2.54 0.65 0.00 0.10 0.00 0.00 66.02 64.13 1dxj s SER 166 CO 0.51 -0.74 1.95 0.00 0.98 0.00 0.00 173.24 175.94 1dxj h HIS 168 N 0.65 -0.18 -0.21 0.00 -0.00 -1.74 -2.04 115.15 111.63 1dxj h HIS 168 Ca 0.16 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.48 1dxj h HIS 168 Cb 0.10 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1dxj h HIS 168 CO 0.01 -0.13 -0.18 -0.44 -0.00 0.00 0.00 177.93 177.19 1dxj h ASP 169 N -0.05 0.36 0.27 3.26 3.32 -1.77 -2.31 116.42 119.49 1dxj h ASP 169 Ca 0.10 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1dxj h ASP 169 Cb 0.20 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1dxj h ASP 169 CO -0.23 0.56 -0.13 0.58 -1.72 0.00 0.00 179.24 178.30 1dxj h VAL 170 N 0.34 0.77 0.00 -1.35 2.07 -1.20 0.43 116.25 117.31 1dxj h VAL 170 Ca 0.06 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1dxj h VAL 170 Cb 0.51 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1dxj h VAL 170 CO 0.03 0.11 -0.07 -0.29 0.02 0.00 0.00 177.57 177.37 1dxj h ILE 171 N -0.65 0.31 -0.70 4.57 6.09 -1.32 -2.47 117.51 123.33 1dxj h ILE 171 Ca -0.04 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 1dxj h ILE 171 Cb 0.46 1.36 0.00 0.00 0.47 0.00 0.00 36.82 39.11 1dxj h ILE 171 CO 0.06 0.07 0.00 0.35 -3.07 0.00 0.00 178.15 175.56 1dxj n THR 172 N -3.36 1.08 -2.09 2.19 -2.24 -0.88 -4.84 114.28 104.13 1dxj n THR 172 Ca -0.01 -1.02 -0.18 0.00 -2.27 0.00 0.00 64.05 60.57 1dxj n THR 172 Cb 0.24 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1dxj n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1dxj n ASN 173 N 1.52 -5.22 0.05 3.42 3.02 -0.93 -4.88 115.26 112.24 1dxj n ASN 173 Ca 0.24 0.12 0.11 0.00 -0.03 0.00 0.00 54.58 55.02 1dxj n ASN 173 Cb 0.63 -4.29 0.05 0.00 -0.61 0.00 0.00 39.78 35.56 1dxj n ASN 173 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1dxj n ARG 174 N -2.65 0.36 -2.99 3.52 1.74 0.08 -4.87 116.66 111.85 1dxj n ARG 174 Ca -0.20 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.51 1dxj n ARG 174 Cb 0.64 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1dxj n ARG 174 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1dxj s TRP 175 N -3.24 3.57 -0.32 -1.55 -0.00 -0.80 -4.99 118.94 111.63 1dxj s TRP 175 Ca 0.03 1.30 -0.06 0.00 -0.00 0.00 0.00 56.10 57.37 1dxj s TRP 175 Cb 0.13 -2.86 0.03 0.00 -0.00 0.00 0.00 33.47 30.77 1dxj s TRP 175 CO 0.78 0.05 0.08 0.99 -0.00 0.00 0.00 176.95 178.85 1dxj s THR 176 N 0.93 3.72 0.52 5.86 2.01 -1.26 -4.95 115.64 122.47 1dxj s THR 176 Ca 0.39 -1.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 1dxj s THR 176 Cb -0.18 -3.05 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 1dxj s THR 176 CO 0.19 -0.08 1.31 -2.65 -0.69 0.00 0.00 174.62 172.70 1dxj n PRO 177 N 4.80 1.73 -2.21 4.92 -0.02 -1.26 -5.01 135.00 137.95 1dxj n PRO 177 Ca -0.13 0.63 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 1dxj n PRO 177 Cb 0.46 -2.51 0.16 0.00 -0.02 0.00 0.00 33.50 31.59 1dxj n PRO 177 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1dxj s SER 178 N -0.82 3.56 0.40 2.55 1.04 -1.26 -4.86 113.70 114.31 1dxj s SER 178 Ca 0.69 -0.04 0.09 0.00 0.48 0.00 0.00 55.95 57.17 1dxj s SER 178 Cb -0.44 -0.11 0.82 0.00 0.10 0.00 0.00 66.02 66.38 1dxj s SER 178 CO 0.52 -2.41 1.94 0.00 0.98 0.00 0.00 173.24 174.27 1dxj h ALA 179 N -1.20 1.55 -0.63 5.32 0.00 -1.99 -1.52 119.26 120.79 1dxj h ALA 179 Ca -0.41 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 1dxj h ALA 179 Cb 1.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1dxj h ALA 179 CO 0.37 0.32 0.10 0.00 0.00 0.00 0.00 179.25 180.05 1dxj h ALA 180 N 1.67 0.99 -0.25 0.00 0.00 -1.92 -0.75 119.26 119.00 1dxj h ALA 180 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1dxj h ALA 180 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dxj h ALA 180 CO 0.01 0.64 -0.05 -0.44 0.00 0.00 0.00 179.25 179.41 1dxj h ASP 181 N 0.96 0.48 -0.71 0.00 3.32 -1.66 -1.76 116.42 117.04 1dxj h ASP 181 Ca 0.19 -0.36 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1dxj h ASP 181 Cb 0.42 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1dxj h ASP 181 CO 0.01 0.72 0.44 0.58 -1.72 0.00 0.00 179.24 179.27 1dxj h VAL 182 N 0.22 1.07 -0.19 -1.35 2.07 -1.13 -0.82 116.25 116.13 1dxj h VAL 182 Ca 0.06 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1dxj h VAL 182 Cb 0.51 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1dxj h VAL 182 CO 0.02 0.15 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 1dxj h ALA 183 N 1.32 1.46 -0.14 1.67 0.00 -1.00 -1.96 119.26 120.62 1dxj h ALA 183 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dxj h ALA 183 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dxj h ALA 183 CO -0.13 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1dxj n ALA 184 N -2.49 2.53 -2.27 0.00 0.00 -0.56 -4.92 120.51 112.80 1dxj n ALA 184 Ca -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.85 1dxj n ALA 184 Cb 0.27 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1dxj n ALA 184 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dxj n ASN 185 N 0.05 -5.03 -4.48 0.00 3.02 -0.71 -1.61 115.26 106.50 1dxj n ASN 185 Ca 0.15 0.01 -0.44 0.00 -0.03 0.00 0.00 54.58 54.27 1dxj n ASN 185 Cb 0.25 -4.12 -0.00 0.00 -0.61 0.00 0.00 39.78 35.30 1dxj n ASN 185 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dxj s ARG 186 N -4.77 4.06 0.02 3.52 0.52 -0.42 -4.53 118.95 117.35 1dxj s ARG 186 Ca 0.00 -2.47 -0.25 0.00 -0.52 0.00 0.00 55.73 52.49 1dxj s ARG 186 Cb 0.00 -5.11 -0.05 0.00 0.52 0.00 0.00 34.95 30.31 1dxj s ARG 186 CO 0.00 -1.82 0.75 0.99 0.02 0.00 0.00 175.30 175.24 1dxj s THR 187 N 1.94 4.80 0.04 0.02 2.01 -1.26 -4.69 115.64 118.49 1dxj s THR 187 Ca 0.43 1.58 -0.37 0.00 0.31 0.00 0.00 61.69 63.64 1dxj s THR 187 Cb -0.02 -4.09 -0.17 0.00 0.01 0.00 0.00 72.50 68.22 1dxj s THR 187 CO 0.00 0.34 1.34 -2.65 -0.69 0.00 0.00 174.62 172.96 1dxj n PRO 188 N 3.00 0.99 -3.95 4.92 -0.02 -1.26 -4.54 135.00 134.14 1dxj n PRO 188 Ca -0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1dxj n PRO 188 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1dxj n PRO 188 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dxj n GLY 189 N 2.53 -1.84 0.30 -1.23 0.00 -1.26 -4.78 105.19 98.91 1dxj n GLY 189 Ca 0.19 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1dxj n GLY 189 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dxj h PHE 190 N 0.00 0.67 -0.93 1.61 3.57 -1.74 -2.92 116.94 117.19 1dxj h PHE 190 Ca 0.00 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1dxj h PHE 190 Cb 0.00 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.48 1dxj h PHE 190 CO 0.00 0.55 0.62 0.78 -2.23 0.00 0.00 178.31 178.02 1dxj h GLY 191 N 0.84 1.34 1.38 2.40 0.00 -1.03 -1.71 103.07 106.27 1dxj h GLY 191 Ca 0.16 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1dxj h GLY 191 CO -0.01 0.43 0.01 -2.08 0.00 0.00 0.00 176.54 174.88 1dxj h VAL 192 N 1.21 1.24 -0.49 4.60 2.07 -1.75 -0.95 116.25 122.17 1dxj h VAL 192 Ca 0.36 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1dxj h VAL 192 Cb -0.04 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1dxj h VAL 192 CO -0.10 0.34 0.21 0.40 0.02 0.00 0.00 177.57 178.44 1dxj h ILE 193 N 0.72 1.20 -0.70 4.57 2.04 -1.34 0.20 117.51 124.21 1dxj h ILE 193 Ca 0.14 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1dxj h ILE 193 Cb 0.43 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1dxj h ILE 193 CO 0.02 0.23 0.43 0.74 0.00 0.00 0.00 178.15 179.57 1dxj h THR 194 N 0.64 1.19 -0.40 -0.27 2.02 -1.04 -0.76 112.91 114.30 1dxj h THR 194 Ca 0.16 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 1dxj h THR 194 Cb 0.16 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1dxj h THR 194 CO -0.02 0.20 0.05 -1.13 0.37 0.00 0.00 175.52 174.99 1dxj h ASN 195 N 0.95 0.64 -0.53 4.18 -0.73 -0.52 0.15 115.58 119.72 1dxj h ASN 195 Ca 0.25 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1dxj h ASN 195 Cb -0.06 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 1dxj h ASN 195 CO -0.05 0.75 0.27 0.40 -0.37 0.00 0.00 177.43 178.44 1dxj h ILE 196 N 0.51 1.19 -0.07 2.57 2.04 0.03 -0.21 117.51 123.56 1dxj h ILE 196 Ca 0.12 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1dxj h ILE 196 Cb 0.40 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1dxj h ILE 196 CO 0.01 0.21 -0.13 0.40 0.00 0.00 0.00 178.15 178.64 1dxj h ILE 197 N 0.71 1.40 -0.12 -0.67 2.04 -0.96 -3.42 117.51 116.49 1dxj h ILE 197 Ca 0.18 -1.40 -0.18 0.00 1.00 0.00 0.00 64.86 64.46 1dxj h ILE 197 Cb 0.08 2.15 -0.23 0.00 -0.74 0.00 0.00 36.82 38.08 1dxj h ILE 197 CO -0.03 0.39 -0.55 -3.20 0.00 0.00 0.00 178.15 174.77 1dxj n ASN 198 N -4.63 -0.45 0.19 1.72 5.15 0.49 -4.98 115.26 112.75 1dxj n ASN 198 Ca -0.08 -2.13 0.13 0.00 -0.60 0.00 0.00 54.58 51.90 1dxj n ASN 198 Cb 0.36 0.27 0.69 0.00 -0.53 0.00 0.00 39.78 40.58 1dxj n ASN 198 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1dxj h GLY 199 N 1.31 0.00 1.92 8.20 0.00 -0.83 -1.57 103.07 112.11 1dxj h GLY 199 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1dxj h GLY 199 CO -0.09 0.00 0.05 -1.33 0.00 0.00 0.00 176.54 175.17 1dxj h GLY 200 N 0.00 0.09 0.00 4.60 0.00 -1.89 -1.56 103.07 104.32 1dxj h GLY 200 Ca 0.08 -0.04 -0.33 0.00 0.00 0.00 0.00 47.33 47.04 1dxj h GLY 200 CO -0.00 0.03 -2.27 1.39 0.00 0.00 0.00 176.54 175.70 1dxj n ILE 201 N -4.53 1.27 0.62 2.60 5.41 -0.99 -4.75 119.36 119.00 1dxj n ILE 201 Ca -0.02 -0.53 0.11 0.00 1.00 0.00 0.00 62.75 63.32 1dxj n ILE 201 Cb 0.09 -1.19 0.04 0.00 -0.71 0.00 0.00 39.64 37.87 1dxj n ILE 201 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1dxj n GLU 202 N -3.09 0.25 -4.32 0.38 1.02 -0.63 -4.96 120.64 109.31 1dxj n GLU 202 Ca -0.38 -0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.53 1dxj n GLU 202 Cb 0.94 -1.59 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 1dxj n GLU 202 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dxj n GLY 204 N -0.87 0.28 0.85 0.00 0.00 0.04 -4.62 105.19 100.87 1dxj n GLY 204 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1dxj n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxj n ARG 205 N -1.16 1.24 0.00 1.61 1.74 -1.19 -4.85 116.66 114.05 1dxj n ARG 205 Ca 0.00 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 1dxj n ARG 205 Cb 0.18 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1dxj n ARG 205 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dxj n GLY 206 N -0.72 -1.85 3.70 -0.13 0.00 -1.09 -4.92 105.19 100.17 1dxj n GLY 206 Ca 0.16 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1dxj n GLY 206 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dxj n PRO 207 N 0.00 2.16 -4.12 1.61 -0.02 -1.26 -4.57 135.00 128.80 1dxj n PRO 207 Ca 0.00 0.76 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 1dxj n PRO 207 Cb 0.00 -2.37 -0.17 0.00 -0.02 0.00 0.00 33.50 30.94 1dxj n PRO 207 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dxj s SER 208 N -0.13 1.93 0.44 2.55 0.15 -1.26 -5.02 113.70 112.36 1dxj s SER 208 Ca 0.59 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 57.12 1dxj s SER 208 Cb -0.58 -0.79 0.99 0.00 -1.71 0.00 0.00 66.02 63.94 1dxj s SER 208 CO 0.59 -0.07 1.96 1.55 1.20 0.00 0.00 173.24 178.46 1dxj h PRO 209 N 7.75 0.00 -0.42 5.44 0.13 -1.95 -0.82 132.00 142.13 1dxj h PRO 209 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1dxj h PRO 209 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1dxj h PRO 209 CO 0.43 0.23 -0.05 0.00 -0.23 0.00 0.00 178.00 178.37 1dxj h ALA 210 N 1.77 0.57 -0.76 -0.56 0.00 -1.96 -0.64 119.26 117.69 1dxj h ALA 210 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1dxj h ALA 210 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1dxj h ALA 210 CO 0.03 0.41 0.28 1.03 0.00 0.00 0.00 179.25 181.00 1dxj h SER 211 N 0.61 1.07 -0.10 0.00 0.87 -1.80 -2.04 113.55 112.15 1dxj h SER 211 Ca 0.11 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1dxj h SER 211 Cb 0.56 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1dxj h SER 211 CO 0.03 0.97 -0.03 1.23 -0.53 0.00 0.00 176.83 178.50 1dxj h GLY 212 N 1.11 0.35 1.02 5.77 0.00 -0.74 -1.50 103.07 109.09 1dxj h GLY 212 Ca 0.25 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 1dxj h GLY 212 CO -0.02 0.18 -0.30 -1.80 0.00 0.00 0.00 176.54 174.60 1dxj h ASP 213 N 0.32 0.84 -0.52 0.19 3.58 -0.55 -0.90 116.42 119.38 1dxj h ASP 213 Ca 0.07 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1dxj h ASP 213 Cb 0.26 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1dxj h ASP 213 CO 0.01 1.13 0.34 0.03 -2.88 0.00 0.00 179.24 177.87 1dxj h ARG 214 N 0.56 0.69 -0.75 0.28 3.08 -0.84 -2.53 114.38 114.88 1dxj h ARG 214 Ca 0.06 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1dxj h ARG 214 Cb 0.88 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1dxj h ARG 214 CO 0.08 0.46 0.26 0.82 -1.07 0.00 0.00 179.97 180.52 1dxj h ILE 215 N 0.70 1.26 -0.59 2.04 2.04 -1.13 -1.83 117.51 120.00 1dxj h ILE 215 Ca 0.19 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1dxj h ILE 215 Cb -0.07 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1dxj h ILE 215 CO -0.04 0.34 0.39 1.23 0.00 0.00 0.00 178.15 180.07 1dxj h GLY 216 N 1.12 0.83 0.96 5.37 0.00 -0.89 0.19 103.07 110.65 1dxj h GLY 216 Ca 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1dxj h GLY 216 CO -0.01 0.30 0.18 0.74 0.00 0.00 0.00 176.54 177.75 1dxj h PHE 217 N 0.79 0.69 -0.39 5.60 0.04 -1.30 -2.10 116.94 120.27 1dxj h PHE 217 Ca 0.22 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.95 1dxj h PHE 217 Cb -0.09 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.83 1dxj h PHE 217 CO -0.03 0.59 0.24 -0.92 -0.60 0.00 0.00 178.31 177.58 1dxj h TYR 218 N 0.59 0.44 -0.55 -0.55 3.20 -0.77 -0.53 116.97 118.81 1dxj h TYR 218 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1dxj h TYR 218 Cb 0.19 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1dxj h TYR 218 CO 0.00 0.27 0.30 0.87 -1.64 0.00 0.00 178.16 177.96 1dxj h LYS 219 N 0.48 0.77 -0.41 1.82 1.57 -0.90 0.38 116.57 120.28 1dxj h LYS 219 Ca 0.15 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1dxj h LYS 219 Cb -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1dxj h LYS 219 CO -0.06 0.59 0.10 -0.09 -0.57 0.00 0.00 179.45 179.42 1dxj h ARG 220 N 0.74 0.65 -0.78 3.15 2.43 -1.09 -0.38 114.38 119.10 1dxj h ARG 220 Ca 0.19 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1dxj h ARG 220 Cb 0.05 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1dxj h ARG 220 CO -0.03 0.67 0.39 1.88 -1.51 0.00 0.00 179.97 181.37 1dxj h TYR 221 N 0.52 1.10 -0.48 2.20 0.05 -0.91 -1.70 116.97 117.75 1dxj h TYR 221 Ca 0.13 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 1dxj h TYR 221 Cb 0.31 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1dxj h TYR 221 CO 0.02 0.79 0.10 0.00 -1.05 0.00 0.00 178.16 178.02 1dxj h ASP 223 N 0.65 0.68 -0.46 0.00 3.32 -0.61 0.22 116.42 120.22 1dxj h ASP 223 Ca 0.15 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1dxj h ASP 223 Cb 0.36 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1dxj h ASP 223 CO 0.01 0.48 -0.04 0.58 -1.72 0.00 0.00 179.24 178.55 1dxj h VAL 224 N 0.81 1.27 -0.05 -1.35 2.07 -1.16 -2.92 116.25 114.92 1dxj h VAL 224 Ca 0.25 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1dxj h VAL 224 Cb -0.03 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1dxj h VAL 224 CO -0.08 0.39 0.00 0.18 0.02 0.00 0.00 177.57 178.07 1dxj n LEU 225 N -4.33 0.55 -3.48 2.57 4.77 -0.44 -4.92 117.00 111.72 1dxj n LEU 225 Ca 0.00 -0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 55.56 1dxj n LEU 225 Cb 0.33 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1dxj n LEU 225 CO 0.42 0.11 0.02 1.57 -1.33 0.00 0.00 177.39 178.19 1dxj n HIS 226 N -0.43 -2.16 -5.01 -1.77 -0.00 0.16 -5.03 115.22 100.97 1dxj n HIS 226 Ca 0.15 0.84 -0.30 0.00 -0.00 0.00 0.00 57.72 58.42 1dxj n HIS 226 Cb 0.16 -4.47 -0.15 0.00 -0.00 0.00 0.00 29.99 25.52 1dxj n HIS 226 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1dxj s LEU 227 N -6.19 2.12 0.63 0.27 1.43 0.52 -5.02 118.68 112.44 1dxj s LEU 227 Ca 0.17 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 1dxj s LEU 227 Cb -0.03 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1dxj s LEU 227 CO 0.77 0.27 1.04 -0.44 0.23 0.00 0.00 176.35 178.22 1dxj s SER 228 N -0.97 5.80 0.27 2.29 0.01 -1.26 -4.29 113.70 115.54 1dxj s SER 228 Ca 0.10 1.65 0.06 0.00 1.31 0.00 0.00 55.95 59.07 1dxj s SER 228 Cb -0.10 -2.51 0.37 0.00 0.21 0.00 0.00 66.02 64.00 1dxj s SER 228 CO 0.01 -1.16 1.65 1.88 0.41 0.00 0.00 173.24 176.03 1dxj h TYR 229 N -0.07 0.30 0.00 2.43 0.05 -1.96 -3.50 116.97 114.22 1dxj h TYR 229 Ca -0.45 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.24 1dxj h TYR 229 Cb 1.21 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1dxj h TYR 229 CO 0.62 0.68 0.00 0.41 -1.05 0.00 0.00 178.16 178.82 1dxj n GLY 230 N -0.02 -0.86 3.95 3.88 0.00 -1.26 -4.99 105.19 105.88 1dxj n GLY 230 Ca -0.02 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 1dxj n GLY 230 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dxj s PRO 231 N -2.10 2.57 -1.18 1.61 0.04 -1.26 -4.68 135.00 130.00 1dxj s PRO 231 Ca 0.00 -0.43 -0.05 0.00 0.04 0.00 0.00 61.00 60.56 1dxj s PRO 231 Cb 0.00 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1dxj s PRO 231 CO 0.00 -0.82 0.86 0.09 0.04 0.00 0.00 177.00 177.17 1dxj n ASN 232 N -2.54 -3.59 0.10 6.66 3.02 -1.26 -4.33 115.26 113.31 1dxj n ASN 232 Ca 0.06 -0.76 -0.05 0.00 -0.03 0.00 0.00 54.58 53.81 1dxj n ASN 232 Cb 0.59 -4.61 0.06 0.00 -0.61 0.00 0.00 39.78 35.21 1dxj n ASN 232 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1dxj h LEU 233 N -1.65 0.11 0.00 3.41 3.38 -1.94 -1.17 115.31 117.46 1dxj h LEU 233 Ca -0.61 -0.08 -0.45 0.00 0.09 0.00 0.00 57.88 56.83 1dxj h LEU 233 Cb 1.34 -0.03 0.05 0.00 0.09 0.00 0.00 40.66 42.10 1dxj h LEU 233 CO 0.50 0.83 0.01 0.59 0.09 0.00 0.00 178.44 180.45 1dxj n ASN 234 N -3.69 1.71 -1.27 -0.43 3.02 -1.26 -2.80 115.26 110.54 1dxj n ASN 234 Ca -0.02 -2.30 0.02 0.00 -0.03 0.00 0.00 54.58 52.25 1dxj n ASN 234 Cb 0.73 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.42 1dxj n ASN 234 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dxj h ARG 236 N 0.71 0.81 -0.39 0.00 3.08 -1.86 0.30 114.38 117.02 1dxj h ARG 236 Ca -0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1dxj h ARG 236 Cb 1.75 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1dxj h ARG 236 CO 0.04 0.54 0.00 -0.25 -1.07 0.00 0.00 179.97 179.23 1dxj n ASP 237 N -4.53 3.22 -4.79 7.04 8.00 -1.26 -2.67 116.55 121.55 1dxj n ASP 237 Ca 0.15 -1.93 -0.39 0.00 0.71 0.00 0.00 54.79 53.34 1dxj n ASP 237 Cb 0.34 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.12 1dxj n ASP 237 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1dxj s GLN 238 N -1.19 4.24 -0.01 -1.24 -0.21 -0.88 -4.71 119.66 115.66 1dxj s GLN 238 Ca 0.33 0.73 -0.30 0.00 0.02 0.00 0.00 55.36 56.14 1dxj s GLN 238 Cb 0.19 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1dxj s GLN 238 CO 0.25 0.55 0.96 1.03 -2.12 0.00 0.00 175.29 175.96 1dxj s ARG 239 N -0.79 4.55 0.54 2.91 0.52 -0.63 -1.53 118.95 124.52 1dxj s ARG 239 Ca 0.29 1.38 -0.20 0.00 -0.52 0.00 0.00 55.73 56.69 1dxj s ARG 239 Cb -0.19 -3.46 -0.07 0.00 0.52 0.00 0.00 34.95 31.75 1dxj s ARG 239 CO 0.18 -0.05 0.91 -0.35 0.02 0.00 0.00 175.30 176.01 1dxj n PRO 240 N 3.94 0.98 -1.50 3.54 -0.04 -1.26 -4.72 135.00 135.94 1dxj n PRO 240 Ca 0.06 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.47 1dxj n PRO 240 Cb 0.51 -2.06 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 1dxj n PRO 240 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1dxj n PHE 241 N -1.36 1.11 0.00 0.54 3.72 -1.26 -4.25 117.46 115.95 1dxj n PHE 241 Ca 0.12 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 1dxj n PHE 241 Cb 0.45 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.49 1dxj n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxj n GLY 242 N 6.37 -0.96 0.09 1.37 0.00 -1.26 -5.01 105.19 105.78 1dxj n GLY 242 Ca 0.50 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.95 1dxj n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93