#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxm s HIS 2 N 0.00 2.69 -0.05 6.34 5.04 -1.26 -4.79 115.29 123.26 2dxm s HIS 2 Ca 0.00 -0.58 0.05 0.00 -1.54 0.00 0.00 55.06 52.99 2dxm s HIS 2 Cb 0.00 -4.28 -0.02 0.00 0.04 0.00 0.00 32.58 28.32 2dxm s HIS 2 CO 0.00 -1.63 -0.21 -0.51 -2.34 0.00 0.00 174.74 170.05 2dxm s LEU 3 N 3.99 2.32 0.75 8.88 1.43 -1.26 -5.13 118.68 129.67 2dxm s LEU 3 Ca 0.22 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 2dxm s LEU 3 Cb -0.17 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.66 2dxm s LEU 3 CO 0.10 0.29 1.12 0.42 0.23 0.00 0.00 176.35 178.50 2dxm s THR 4 N -0.39 3.03 0.35 5.49 -4.23 -1.26 -4.75 115.64 113.88 2dxm s THR 4 Ca 0.03 0.39 0.12 0.00 -1.18 0.00 0.00 61.69 61.06 2dxm s THR 4 Cb -0.12 -2.83 0.34 0.00 1.34 0.00 0.00 72.50 71.23 2dxm s THR 4 CO 0.02 -0.38 1.76 -0.65 -0.54 0.00 0.00 174.62 174.82 2dxm h PRO 5 N -0.80 0.52 -0.01 3.99 0.11 -2.00 0.66 132.00 134.47 2dxm h PRO 5 Ca -0.45 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2dxm h PRO 5 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2dxm h PRO 5 CO 0.51 0.35 -0.63 1.05 -0.21 0.00 0.00 178.00 179.06 2dxm h GLU 6 N 0.54 0.03 -0.17 1.05 9.09 -1.99 -2.35 114.58 120.77 2dxm h GLU 6 Ca 0.61 -0.02 -0.17 0.00 0.05 0.00 0.00 59.36 59.83 2dxm h GLU 6 Cb 1.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2dxm h GLU 6 CO -0.38 0.65 -0.58 0.93 0.05 0.00 0.00 179.01 179.67 2dxm h GLU 7 N 0.02 0.56 -0.35 1.06 5.08 -1.24 -2.10 114.58 117.61 2dxm h GLU 7 Ca -0.01 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 2dxm h GLU 7 Cb 1.11 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2dxm h GLU 7 CO 0.08 0.98 -0.27 0.87 -1.00 0.00 0.00 179.01 179.67 2dxm h LYS 8 N 0.42 0.80 -0.24 2.33 1.57 -1.26 -1.61 116.57 118.59 2dxm h LYS 8 Ca 0.00 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 2dxm h LYS 8 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2dxm h LYS 8 CO 0.11 1.02 -0.06 1.03 -0.57 0.00 0.00 179.45 180.98 2dxm h SER 9 N 0.58 0.35 -0.33 0.86 0.87 -1.40 -0.78 113.55 113.71 2dxm h SER 9 Ca 0.06 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2dxm h SER 9 Cb 0.84 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2dxm h SER 9 CO 0.07 0.46 -0.10 0.00 -0.53 0.00 0.00 176.83 176.73 2dxm h ALA 10 N 1.59 0.45 -0.44 6.23 0.00 -1.11 -0.96 119.26 125.01 2dxm h ALA 10 Ca 0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2dxm h ALA 10 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2dxm h ALA 10 CO 0.02 0.31 0.05 0.28 0.00 0.00 0.00 179.25 179.90 2dxm h VAL 11 N 0.42 1.25 -0.02 0.00 2.07 -0.83 -3.07 116.25 116.08 2dxm h VAL 11 Ca 0.08 -0.94 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 2dxm h VAL 11 Cb 0.61 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2dxm h VAL 11 CO 0.04 0.33 -0.66 0.74 0.02 0.00 0.00 177.57 178.03 2dxm h THR 12 N 0.61 1.45 -0.25 2.57 2.02 -1.12 -2.94 112.91 115.24 2dxm h THR 12 Ca 0.13 -2.20 -0.09 0.00 0.77 0.00 0.00 66.41 65.02 2dxm h THR 12 Cb 0.42 2.17 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2dxm h THR 12 CO 0.01 0.64 -0.20 0.00 0.37 0.00 0.00 175.52 176.34 2dxm h ALA 13 N 1.26 0.36 -0.02 6.16 0.00 -1.15 -3.12 119.26 122.76 2dxm h ALA 13 Ca -0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.30 2dxm h ALA 13 Cb 1.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dxm h ALA 13 CO 0.09 0.30 -0.96 1.25 0.00 0.00 0.00 179.25 179.93 2dxm h LEU 14 N 0.30 0.76 -1.63 0.00 5.85 -1.60 -3.27 115.31 115.71 2dxm h LEU 14 Ca 0.05 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 2dxm h LEU 14 Cb 0.74 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2dxm h LEU 14 CO 0.05 1.38 0.11 -0.25 -0.34 0.00 0.00 178.44 179.40 2dxm h TRP 15 N 0.35 0.35 -0.05 1.25 2.91 -1.58 -2.27 115.95 116.90 2dxm h TRP 15 Ca -0.10 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 59.93 2dxm h TRP 15 Cb 1.60 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 30.14 2dxm h TRP 15 CO 0.08 0.27 0.09 0.78 -1.03 0.00 0.00 178.44 178.63 2dxm h GLY 16 N 0.48 0.00 1.12 2.65 0.00 -1.59 -1.04 103.07 104.68 2dxm h GLY 16 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2dxm h GLY 16 CO -0.01 0.00 -0.56 0.28 0.00 0.00 0.00 176.54 176.25 2dxm n LYS 17 N -3.53 0.16 -2.38 4.80 5.02 -0.85 -4.93 118.16 116.45 2dxm n LYS 17 Ca -0.02 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2dxm n LYS 17 Cb 0.17 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2dxm n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dxm s VAL 18 N -3.09 3.75 -0.69 -0.18 1.01 -0.40 -4.99 120.40 115.81 2dxm s VAL 18 Ca 0.08 1.35 -0.22 0.00 0.00 0.00 0.00 61.98 63.19 2dxm s VAL 18 Cb 0.15 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.75 2dxm s VAL 18 CO 0.71 0.15 0.96 0.21 0.00 0.00 0.00 175.10 177.13 2dxm s ASN 19 N 0.64 6.23 0.31 3.32 3.84 -1.26 -4.93 114.94 123.09 2dxm s ASN 19 Ca 0.57 -1.18 0.05 0.00 0.21 0.00 0.00 52.86 52.51 2dxm s ASN 19 Cb -0.32 -2.40 0.71 0.00 -0.55 0.00 0.00 41.25 38.69 2dxm s ASN 19 CO 0.33 -1.36 1.81 0.58 -2.79 0.00 0.00 177.10 175.66 2dxm h VAL 20 N 5.96 0.78 -0.14 -5.21 2.07 -1.94 -1.73 116.25 116.04 2dxm h VAL 20 Ca -0.23 -0.28 -0.21 0.00 0.82 0.00 0.00 66.70 66.81 2dxm h VAL 20 Cb 1.07 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2dxm h VAL 20 CO 1.17 0.15 -0.74 0.44 0.02 0.00 0.00 177.57 178.61 2dxm h ASP 21 N 0.81 0.80 0.74 0.57 5.19 -1.92 -2.10 116.42 120.51 2dxm h ASP 21 Ca 0.54 -0.51 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 2dxm h ASP 21 Cb 0.78 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.06 2dxm h ASP 21 CO -0.32 1.29 -0.36 -0.08 -3.12 0.00 0.00 179.24 176.65 2dxm h GLU 22 N 0.47 -0.96 -0.50 3.56 4.81 -1.85 -2.62 114.58 117.48 2dxm h GLU 22 Ca -0.04 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dxm h GLU 22 Cb 1.35 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.92 2dxm h GLU 22 CO 0.15 -0.64 0.30 0.28 -0.73 0.00 0.00 179.01 178.37 2dxm h VAL 23 N -1.23 1.14 -0.07 0.32 2.07 -1.46 -2.27 116.25 114.76 2dxm h VAL 23 Ca -0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2dxm h VAL 23 Cb 0.76 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2dxm h VAL 23 CO 0.17 0.15 0.04 1.23 0.02 0.00 0.00 177.57 179.18 2dxm h GLY 24 N 0.72 0.10 2.00 2.17 0.00 -1.38 0.63 103.07 107.30 2dxm h GLY 24 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2dxm h GLY 24 CO -0.03 0.03 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 2dxm h GLY 25 N 0.09 0.00 1.29 4.60 0.00 -1.18 -2.74 103.07 105.13 2dxm h GLY 25 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.08 2dxm h GLY 25 CO -0.01 0.00 -1.50 -2.09 0.00 0.00 0.00 176.54 172.95 2dxm h GLU 26 N 0.00 0.04 0.10 4.80 4.57 -1.04 -2.66 114.58 120.38 2dxm h GLU 26 Ca 0.00 -0.06 -0.29 0.00 -1.18 0.00 0.00 59.36 57.83 2dxm h GLU 26 Cb 0.59 0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.22 2dxm h GLU 26 CO 0.00 0.73 -1.20 0.00 -1.18 0.00 0.00 179.01 177.36 2dxm h ALA 27 N 0.91 0.05 -0.00 2.92 0.00 -0.81 -2.58 119.26 119.75 2dxm h ALA 27 Ca -0.21 -0.77 -0.19 0.00 0.00 0.00 0.00 54.91 53.74 2dxm h ALA 27 Cb 1.94 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2dxm h ALA 27 CO 0.10 0.72 -0.85 1.25 0.00 0.00 0.00 179.25 180.48 2dxm h LEU 28 N 0.27 0.25 -0.10 0.00 5.85 -1.63 -2.45 115.31 117.50 2dxm h LEU 28 Ca -0.17 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2dxm h LEU 28 Cb 1.87 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 2dxm h LEU 28 CO 0.23 0.98 0.05 1.23 -0.34 0.00 0.00 178.44 180.59 2dxm h GLY 29 N 1.83 0.14 2.00 3.75 0.00 -1.51 -2.54 103.07 106.75 2dxm h GLY 29 Ca -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2dxm h GLY 29 CO 0.13 0.06 -0.19 3.21 0.00 0.00 0.00 176.54 179.75 2dxm h ARG 30 N 0.05 0.00 -0.51 4.80 3.08 -1.48 -2.48 114.38 117.85 2dxm h ARG 30 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 2dxm h ARG 30 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2dxm h ARG 30 CO -0.00 0.19 -0.12 1.25 -1.07 0.00 0.00 179.97 180.22 2dxm h LEU 31 N 0.00 0.96 -0.33 3.04 5.85 -1.18 -0.65 115.31 122.99 2dxm h LEU 31 Ca -0.00 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2dxm h LEU 31 Cb 0.69 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2dxm h LEU 31 CO 0.02 1.08 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.71 2dxm h LEU 32 N 0.85 0.00 0.00 2.25 4.07 -1.10 -2.56 115.31 118.83 2dxm h LEU 32 Ca 0.13 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 2dxm h LEU 32 Cb 0.66 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 2dxm h LEU 32 CO 0.05 0.43 -0.63 0.58 -1.08 0.00 0.00 178.44 177.79 2dxm h VAL 33 N 0.00 1.05 -0.38 1.22 2.07 -1.35 -3.24 116.25 115.63 2dxm h VAL 33 Ca -0.00 -2.01 -0.13 0.00 0.82 0.00 0.00 66.70 65.38 2dxm h VAL 33 Cb 1.19 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 2dxm h VAL 33 CO 0.06 0.35 -0.27 0.58 0.02 0.00 0.00 177.57 178.31 2dxm h VAL 34 N -1.00 1.28 -2.74 2.57 2.07 -1.26 -3.34 116.25 113.84 2dxm h VAL 34 Ca -0.16 -1.43 -0.61 0.00 0.82 0.00 0.00 66.70 65.32 2dxm h VAL 34 Cb 1.00 1.37 -0.42 0.00 -1.52 0.00 0.00 31.29 31.71 2dxm h VAL 34 CO -0.10 0.48 -0.58 -1.22 0.02 0.00 0.00 177.57 176.17 2dxm n TYR 35 N -4.18 3.42 -0.30 1.57 4.01 -0.96 -4.98 117.16 115.74 2dxm n TYR 35 Ca -0.02 -4.26 0.30 0.00 -0.16 0.00 0.00 57.90 53.76 2dxm n TYR 35 Cb 0.48 -0.60 0.67 0.00 -0.31 0.00 0.00 39.34 39.57 2dxm n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2dxm h PRO 36 N 4.91 0.12 0.00 -0.72 0.13 -1.69 -2.24 132.00 132.51 2dxm h PRO 36 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2dxm h PRO 36 Cb 0.72 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2dxm h PRO 36 CO 0.77 0.08 0.00 -2.67 -0.23 0.00 0.00 178.00 175.95 2dxm n TRP 37 N -4.34 0.33 0.54 1.56 2.14 -1.26 -1.65 117.44 114.75 2dxm n TRP 37 Ca 0.24 0.15 0.11 0.00 2.07 0.00 0.00 57.50 60.07 2dxm n TRP 37 Cb 1.08 -0.73 0.44 0.00 -0.81 0.00 0.00 31.31 31.29 2dxm n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2dxm n THR 38 N -1.81 0.73 0.62 -1.67 -2.24 -0.84 -2.97 114.28 106.10 2dxm n THR 38 Ca 0.01 0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 2dxm n THR 38 Cb 0.12 -0.93 0.36 0.00 -2.10 0.00 0.00 70.33 67.78 2dxm n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxm n GLN 39 N -1.96 0.08 0.23 -0.78 6.02 -0.66 -3.64 117.38 116.68 2dxm n GLN 39 Ca 0.04 0.19 0.17 0.00 -0.01 0.00 0.00 57.00 57.39 2dxm n GLN 39 Cb 0.27 -1.50 0.86 0.00 1.02 0.00 0.00 30.24 30.88 2dxm n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2dxm h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.77 -1.56 114.38 110.08 2dxm h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2dxm h ARG 40 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2dxm h ARG 40 CO 0.00 0.00 -0.77 1.19 0.10 0.00 0.00 179.97 180.49 2dxm n PHE 41 N -3.80 0.22 -1.97 4.08 3.01 -1.24 -4.43 117.46 113.33 2dxm n PHE 41 Ca 0.00 0.06 -0.26 0.00 1.01 0.00 0.00 57.45 58.26 2dxm n PHE 41 Cb 0.25 -0.39 0.03 0.00 -0.01 0.00 0.00 39.48 39.37 2dxm n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2dxm n PHE 42 N -1.80 2.90 0.16 1.38 0.99 -0.59 -4.73 117.46 115.77 2dxm n PHE 42 Ca 0.04 -2.43 0.01 0.00 -0.00 0.00 0.00 57.45 55.06 2dxm n PHE 42 Cb 0.39 -0.49 0.25 0.00 -1.00 0.00 0.00 39.48 38.63 2dxm n PHE 42 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2dxm h GLU 43 N 2.21 0.00 -0.09 -1.08 4.11 -1.77 -2.87 114.58 115.09 2dxm h GLU 43 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 2dxm h GLU 43 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2dxm h GLU 43 CO 0.90 0.52 0.00 -1.13 0.07 0.00 0.00 179.01 179.37 2dxm n SER 44 N -3.82 0.48 0.03 3.06 3.41 -1.26 -3.78 113.62 111.74 2dxm n SER 44 Ca -0.01 -1.98 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 2dxm n SER 44 Cb 0.55 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 2dxm n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2dxm n PHE 45 N -0.25 0.87 0.00 7.33 0.99 -1.08 -5.08 117.46 120.23 2dxm n PHE 45 Ca 0.03 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 2dxm n PHE 45 Cb 0.08 -1.04 0.00 0.00 -1.00 0.00 0.00 39.48 37.52 2dxm n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dxm n GLY 46 N 1.39 0.06 3.61 1.37 0.00 -1.25 -4.79 105.19 105.59 2dxm n GLY 46 Ca -0.10 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2dxm n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dxm s ASP 47 N -4.00 6.42 -0.10 1.61 3.68 -1.26 -4.83 116.67 118.19 2dxm s ASP 47 Ca 0.00 1.08 0.14 0.00 2.13 0.00 0.00 52.55 55.89 2dxm s ASP 47 Cb 0.00 -2.54 0.26 0.00 -1.45 0.00 0.00 42.92 39.19 2dxm s ASP 47 CO 0.00 -1.32 1.13 0.18 0.13 0.00 0.00 175.17 175.29 2dxm n LEU 48 N 8.49 1.71 0.00 -1.34 4.77 -1.26 -4.19 117.00 125.18 2dxm n LEU 48 Ca 0.17 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 2dxm n LEU 48 Cb 0.47 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2dxm n LEU 48 CO 0.67 0.71 0.36 -1.54 -1.33 0.00 0.00 177.39 176.26 2dxm n SER 49 N -0.85 0.00 -4.97 -1.43 3.41 -1.26 -4.83 113.62 103.70 2dxm n SER 49 Ca 0.12 0.82 -0.21 0.00 -0.26 0.00 0.00 58.87 59.34 2dxm n SER 49 Cb 0.71 -0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 2dxm n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2dxm s THR 50 N -2.32 3.26 0.33 6.66 -4.23 -1.26 -4.98 115.64 113.08 2dxm s THR 50 Ca 0.00 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2dxm s THR 50 Cb 0.00 -3.20 0.17 0.00 1.34 0.00 0.00 72.50 70.81 2dxm s THR 50 CO 0.00 -0.13 1.88 -0.65 -0.54 0.00 0.00 174.62 175.18 2dxm h PRO 51 N 0.28 0.63 -0.35 3.99 0.11 -1.99 -2.69 132.00 131.98 2dxm h PRO 51 Ca -0.44 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 2dxm h PRO 51 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2dxm h PRO 51 CO 0.53 0.59 -0.02 -0.44 -0.21 0.00 0.00 178.00 178.46 2dxm h ASP 52 N 0.61 0.62 -0.14 -2.05 5.19 -1.98 -1.77 116.42 116.90 2dxm h ASP 52 Ca 0.14 -0.32 -0.08 0.00 -0.62 0.00 0.00 57.03 56.15 2dxm h ASP 52 Cb 0.26 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 2dxm h ASP 52 CO -0.00 0.79 -0.14 0.00 -3.12 0.00 0.00 179.24 176.78 2dxm h ALA 53 N 0.85 1.21 -0.28 3.45 0.00 -1.86 -0.92 119.26 121.71 2dxm h ALA 53 Ca 0.10 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2dxm h ALA 53 Cb 0.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2dxm h ALA 53 CO 0.02 0.51 -0.26 0.28 0.00 0.00 0.00 179.25 179.80 2dxm h VAL 54 N 0.47 1.30 0.00 0.00 2.07 -1.40 -1.07 116.25 117.62 2dxm h VAL 54 Ca 0.09 -1.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 2dxm h VAL 54 Cb 0.52 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2dxm h VAL 54 CO 0.03 0.45 -0.24 0.24 0.02 0.00 0.00 177.57 178.07 2dxm h MET 55 N 0.41 0.00 -0.19 1.57 2.07 -1.15 -3.07 114.93 114.58 2dxm h MET 55 Ca 0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2dxm h MET 55 Cb 0.83 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.56 2dxm h MET 55 CO 0.07 0.24 0.00 0.41 1.07 0.00 0.00 176.91 178.70 2dxm n GLY 56 N 0.37 1.10 3.71 8.32 0.00 -0.36 -4.96 105.19 113.36 2dxm n GLY 56 Ca 0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2dxm n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dxm s ASN 57 N -1.44 6.89 0.27 1.61 3.84 -0.41 -4.92 114.94 120.78 2dxm s ASN 57 Ca 0.28 2.19 0.08 0.00 0.21 0.00 0.00 52.86 55.62 2dxm s ASN 57 Cb 0.17 -2.58 0.36 0.00 -0.55 0.00 0.00 41.25 38.66 2dxm s ASN 57 CO 0.25 -0.63 1.62 -0.65 -2.79 0.00 0.00 177.10 174.90 2dxm h PRO 58 N 7.10 0.10 0.00 0.43 0.11 -1.91 -2.81 132.00 135.03 2dxm h PRO 58 Ca -0.41 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2dxm h PRO 58 Cb 1.20 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2dxm h PRO 58 CO 0.86 0.65 -0.59 0.87 -0.21 0.00 0.00 178.00 179.59 2dxm h LYS 59 N 0.08 0.00 -0.15 1.05 1.57 -1.91 -1.29 116.57 115.91 2dxm h LYS 59 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2dxm h LYS 59 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2dxm h LYS 59 CO 0.08 0.59 -0.64 0.28 -0.57 0.00 0.00 179.45 179.18 2dxm h VAL 60 N 0.00 1.33 -0.37 0.50 2.07 -1.87 -2.60 116.25 115.31 2dxm h VAL 60 Ca -0.01 -1.93 -0.16 0.00 0.82 0.00 0.00 66.70 65.42 2dxm h VAL 60 Cb 1.08 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2dxm h VAL 60 CO 0.08 0.60 -0.41 0.11 0.02 0.00 0.00 177.57 177.97 2dxm h LYS 61 N 0.41 0.92 -0.50 1.57 1.57 -1.32 -2.28 116.57 116.93 2dxm h LYS 61 Ca -0.01 -0.50 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 2dxm h LYS 61 Cb 1.21 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 2dxm h LYS 61 CO 0.12 1.15 0.33 0.00 -0.57 0.00 0.00 179.45 180.48 2dxm h ALA 62 N 0.78 0.64 -0.30 3.86 0.00 -1.21 -2.35 119.26 120.68 2dxm h ALA 62 Ca 0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2dxm h ALA 62 Cb 1.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2dxm h ALA 62 CO 0.10 0.07 -0.49 1.25 0.00 0.00 0.00 179.25 180.18 2dxm h HIS 63 N 0.67 1.07 -0.58 0.00 -0.00 -1.49 -3.07 115.15 111.76 2dxm h HIS 63 Ca 0.19 -0.37 0.12 0.00 -0.00 0.00 0.00 60.37 60.30 2dxm h HIS 63 Cb -0.07 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.10 2dxm h HIS 63 CO -0.04 1.19 0.40 0.78 -0.00 0.00 0.00 177.93 180.26 2dxm h GLY 64 N 0.64 0.43 1.17 5.26 0.00 -1.07 0.10 103.07 109.61 2dxm h GLY 64 Ca 0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 2dxm h GLY 64 CO 0.11 0.06 -0.78 0.50 0.00 0.00 0.00 176.54 176.43 2dxm h LYS 65 N 0.29 0.80 -0.49 4.80 1.57 -1.39 -1.98 116.57 120.17 2dxm h LYS 65 Ca 0.28 -0.66 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 2dxm h LYS 65 Cb 0.70 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2dxm h LYS 65 CO -0.06 1.26 0.22 -0.22 -0.57 0.00 0.00 179.45 180.08 2dxm h LYS 66 N 0.54 0.72 0.08 3.15 3.64 -1.12 0.00 116.57 123.59 2dxm h LYS 66 Ca -0.05 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2dxm h LYS 66 Cb 1.41 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2dxm h LYS 66 CO 0.16 0.63 -0.04 0.28 -2.27 0.00 0.00 179.45 178.21 2dxm h VAL 67 N 0.65 1.16 0.00 2.00 2.07 -1.08 -2.91 116.25 118.14 2dxm h VAL 67 Ca 0.17 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2dxm h VAL 67 Cb 0.16 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2dxm h VAL 67 CO -0.02 0.23 -0.03 -0.07 0.02 0.00 0.00 177.57 177.70 2dxm h LEU 68 N -0.55 0.00 -0.08 2.57 -0.00 -1.38 -2.33 115.31 113.55 2dxm h LEU 68 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.62 2dxm h LEU 68 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.14 2dxm h LEU 68 CO 0.02 0.03 -0.93 1.23 -0.00 0.00 0.00 178.44 178.79 2dxm h GLY 69 N 1.80 0.81 1.16 0.83 0.00 -0.99 -1.56 103.07 105.13 2dxm h GLY 69 Ca -0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 47.33 45.91 2dxm h GLY 69 CO 0.00 1.15 -0.14 0.00 0.00 0.00 0.00 176.54 177.56 2dxm h ALA 70 N 0.48 0.80 -0.01 3.60 0.00 -1.26 -1.94 119.26 120.93 2dxm h ALA 70 Ca -0.10 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2dxm h ALA 70 Cb 1.57 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2dxm h ALA 70 CO 0.19 0.66 0.01 0.35 0.00 0.00 0.00 179.25 180.45 2dxm h PHE 71 N 0.86 0.02 -0.16 0.00 3.57 -1.48 -2.27 116.94 117.48 2dxm h PHE 71 Ca 0.13 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2dxm h PHE 71 Cb 0.69 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 2dxm h PHE 71 CO 0.04 0.13 -0.14 1.03 -2.23 0.00 0.00 178.31 177.14 2dxm h SER 72 N -0.10 -0.46 0.27 0.41 0.87 -1.10 0.36 113.55 113.81 2dxm h SER 72 Ca 0.00 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2dxm h SER 72 Cb 0.12 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2dxm h SER 72 CO -0.00 -0.19 -0.04 0.44 -0.53 0.00 0.00 176.83 176.51 2dxm h ASP 73 N -0.17 0.00 0.51 6.23 3.32 -1.34 -2.37 116.42 122.60 2dxm h ASP 73 Ca 0.10 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2dxm h ASP 73 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2dxm h ASP 73 CO -0.25 0.04 -0.44 1.23 -1.72 0.00 0.00 179.24 178.09 2dxm h GLY 74 N 0.58 0.00 2.00 2.75 0.00 -0.31 -2.99 103.07 105.10 2dxm h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dxm h GLY 74 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 2dxm h LEU 75 N 0.00 0.00 -0.01 3.11 3.38 -1.23 -1.36 115.31 119.20 2dxm h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dxm h LEU 75 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2dxm h LEU 75 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2dxm n ALA 76 N -1.96 2.13 -2.84 1.53 0.00 -1.13 -3.74 120.51 114.50 2dxm n ALA 76 Ca -0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.18 2dxm n ALA 76 Cb 0.19 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 2dxm n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dxm n HIS 77 N -1.55 1.66 0.23 0.00 8.25 -0.51 -4.90 115.22 118.40 2dxm n HIS 77 Ca 0.06 -3.36 0.10 0.00 -0.26 0.00 0.00 57.72 54.25 2dxm n HIS 77 Cb 0.30 -0.36 0.56 0.00 1.12 0.00 0.00 29.99 31.61 2dxm n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dxm h LEU 78 N 2.93 0.00 -0.35 2.41 3.38 -1.64 -2.45 115.31 119.58 2dxm h LEU 78 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dxm h LEU 78 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2dxm h LEU 78 CO 0.61 0.21 0.00 0.47 0.09 0.00 0.00 178.44 179.82 2dxm n ASP 79 N -3.60 0.52 -2.74 -0.43 9.92 -1.26 -2.01 116.55 116.95 2dxm n ASP 79 Ca -0.01 -1.66 -0.08 0.00 -0.53 0.00 0.00 54.79 52.50 2dxm n ASP 79 Cb 0.35 -0.04 0.06 0.00 -0.64 0.00 0.00 41.12 40.85 2dxm n ASP 79 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2dxm n ASN 80 N -0.37 -2.69 0.06 -2.24 5.15 -0.93 -4.98 115.26 109.25 2dxm n ASN 80 Ca 0.11 -3.38 -0.20 0.00 -0.60 0.00 0.00 54.58 50.52 2dxm n ASN 80 Cb 0.13 1.84 -0.10 0.00 -0.53 0.00 0.00 39.78 41.11 2dxm n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2dxm h LEU 81 N 3.67 0.84 -0.96 1.20 3.38 -1.72 -2.92 115.31 118.80 2dxm h LEU 81 Ca -0.14 -0.70 -0.10 0.00 0.09 0.00 0.00 57.88 57.03 2dxm h LEU 81 Cb 1.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dxm h LEU 81 CO 0.26 1.50 -0.40 0.11 0.09 0.00 0.00 178.44 180.00 2dxm h LYS 82 N 0.33 0.23 -0.01 1.13 1.57 -1.90 -2.04 116.57 115.88 2dxm h LYS 82 Ca -0.14 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.37 2dxm h LYS 82 Cb 1.75 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 2dxm h LYS 82 CO 0.21 0.60 -0.73 0.78 -0.57 0.00 0.00 179.45 179.74 2dxm h GLY 83 N 1.21 0.11 1.40 3.86 0.00 -1.96 -2.83 103.07 104.86 2dxm h GLY 83 Ca 0.02 -0.17 -0.28 0.00 0.00 0.00 0.00 47.33 46.90 2dxm h GLY 83 CO 0.06 0.15 -1.19 -0.84 0.00 0.00 0.00 176.54 174.73 2dxm h THR 84 N 0.07 1.36 -0.54 4.70 2.02 -1.31 -3.35 112.91 115.86 2dxm h THR 84 Ca -0.02 -2.60 -0.18 0.00 0.77 0.00 0.00 66.41 64.39 2dxm h THR 84 Cb 1.29 2.70 -0.10 0.00 -1.74 0.00 0.00 68.15 70.29 2dxm h THR 84 CO 0.10 0.78 0.14 0.49 0.37 0.00 0.00 175.52 177.41 2dxm n PHE 85 N -3.72 1.77 -0.12 3.16 3.01 -0.78 -4.64 117.46 116.13 2dxm n PHE 85 Ca -0.11 -1.27 -0.05 0.00 1.01 0.00 0.00 57.45 57.03 2dxm n PHE 85 Cb 0.97 -0.56 0.13 0.00 -0.01 0.00 0.00 39.48 40.00 2dxm n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dxm h ALA 86 N 1.89 1.04 0.04 4.37 0.00 -1.63 -2.59 119.26 122.38 2dxm h ALA 86 Ca 0.22 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 2dxm h ALA 86 Cb 1.98 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 19.59 2dxm h ALA 86 CO 0.55 0.59 -0.88 1.15 0.00 0.00 0.00 179.25 180.66 2dxm h THR 87 N 0.78 1.37 -0.63 0.00 2.02 -1.89 -3.11 112.91 111.44 2dxm h THR 87 Ca 0.15 -2.26 0.01 0.00 0.77 0.00 0.00 66.41 65.08 2dxm h THR 87 Cb 0.49 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 2dxm h THR 87 CO 0.02 0.67 0.42 -0.07 0.37 0.00 0.00 175.52 176.94 2dxm h LEU 88 N 0.07 0.71 -0.71 2.58 3.38 -1.88 -1.93 115.31 117.52 2dxm h LEU 88 Ca -0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2dxm h LEU 88 Cb 1.58 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 2dxm h LEU 88 CO 0.17 0.51 0.32 -1.28 0.09 0.00 0.00 178.44 178.25 2dxm h SER 89 N 0.83 0.95 -0.32 -0.43 0.87 -1.49 0.05 113.55 114.01 2dxm h SER 89 Ca 0.24 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2dxm h SER 89 Cb -0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 2dxm h SER 89 CO -0.06 0.83 0.04 -0.33 -0.53 0.00 0.00 176.83 176.78 2dxm h GLU 90 N 1.00 0.53 -0.18 2.24 5.08 -1.35 -2.59 114.58 119.32 2dxm h GLU 90 Ca 0.24 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2dxm h GLU 90 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2dxm h GLU 90 CO -0.03 0.64 0.10 1.25 -1.00 0.00 0.00 179.01 179.97 2dxm h LEU 91 N 0.35 0.23 -1.71 1.33 5.85 -1.02 -0.50 115.31 119.83 2dxm h LEU 91 Ca 0.09 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2dxm h LEU 91 Cb 0.38 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2dxm h LEU 91 CO 0.01 0.24 -0.18 0.45 -0.34 0.00 0.00 178.44 178.62 2dxm h HIS 92 N 0.19 0.00 0.00 1.25 3.86 -1.01 -1.25 115.15 118.19 2dxm h HIS 92 Ca 0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2dxm h HIS 92 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2dxm h HIS 92 CO -0.04 0.18 -0.41 0.00 0.86 0.00 0.00 177.93 178.52 2dxm h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -1.17 -3.33 116.42 114.24 2dxm h ASP 94 Ca -0.09 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 2dxm h ASP 94 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2dxm h ASP 94 CO -0.06 0.33 -1.41 0.29 -1.72 0.00 0.00 179.24 176.67 2dxm n LYS 95 N -2.92 1.42 0.01 3.56 4.76 -0.57 -4.76 118.16 119.65 2dxm n LYS 95 Ca -0.03 0.02 0.03 0.00 -2.87 0.00 0.00 58.31 55.46 2dxm n LYS 95 Cb 0.70 -1.15 -0.10 0.00 -1.84 0.00 0.00 35.03 32.64 2dxm n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dxm n LEU 96 N -2.50 0.50 -3.56 -0.35 4.77 -0.63 -5.00 117.00 110.22 2dxm n LEU 96 Ca -0.12 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 2dxm n LEU 96 Cb 0.66 0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.93 2dxm n LEU 96 CO 0.10 0.12 0.06 1.41 -1.33 0.00 0.00 177.39 177.75 2dxm n HIS 97 N -2.68 -2.17 -3.47 -1.77 8.25 -0.36 -4.97 115.22 108.04 2dxm n HIS 97 Ca -0.11 0.91 -0.39 0.00 -0.26 0.00 0.00 57.72 57.88 2dxm n HIS 97 Cb 0.78 -4.79 -0.10 0.00 1.12 0.00 0.00 29.99 27.00 2dxm n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dxm s VAL 98 N -3.46 5.23 0.04 1.59 1.01 -0.68 -5.04 120.40 119.09 2dxm s VAL 98 Ca 0.09 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2dxm s VAL 98 Cb -0.04 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 2dxm s VAL 98 CO 0.76 0.18 1.80 -0.62 0.00 0.00 0.00 175.10 177.22 2dxm s ASP 99 N 1.69 6.53 0.65 3.32 3.68 -1.26 -4.77 116.67 126.52 2dxm s ASP 99 Ca 0.12 2.54 0.24 0.00 2.13 0.00 0.00 52.55 57.59 2dxm s ASP 99 Cb -0.16 -2.54 1.30 0.00 -1.45 0.00 0.00 42.92 40.07 2dxm s ASP 99 CO 0.10 -0.98 1.74 -0.65 0.13 0.00 0.00 175.17 175.51 2dxm h PRO 100 N 9.52 0.00 0.00 4.34 0.11 -1.96 -0.18 132.00 143.82 2dxm h PRO 100 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dxm h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2dxm h PRO 100 CO 0.94 0.00 -0.01 1.49 -0.21 0.00 0.00 178.00 180.22 2dxm h GLU 101 N 0.00 0.00 -0.01 1.05 4.57 -1.98 -1.54 114.58 116.67 2dxm h GLU 101 Ca 0.05 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 2dxm h GLU 101 Cb 1.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 2dxm h GLU 101 CO -0.00 0.01 -0.42 -0.91 -1.18 0.00 0.00 179.01 176.51 2dxm h ASN 102 N 0.00 0.02 0.76 1.04 2.35 -1.40 -2.81 115.58 115.55 2dxm h ASN 102 Ca -0.00 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 2dxm h ASN 102 Cb 0.18 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2dxm h ASN 102 CO 0.00 0.44 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.57 2dxm h PHE 103 N 0.02 0.00 0.00 1.19 0.04 -1.47 -2.72 116.94 114.00 2dxm h PHE 103 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2dxm h PHE 103 Cb 0.74 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 2dxm h PHE 103 CO 0.00 0.38 -1.11 0.00 -0.60 0.00 0.00 178.31 176.99 2dxm h ARG 104 N 0.00 0.00 -0.07 1.51 3.08 -1.57 -2.81 114.38 114.52 2dxm h ARG 104 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2dxm h ARG 104 Cb 0.87 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.93 2dxm h ARG 104 CO 0.05 0.75 -0.70 -0.07 -1.07 0.00 0.00 179.97 178.93 2dxm h LEU 105 N 0.00 0.74 -0.62 3.04 3.38 -1.45 -2.97 115.31 117.43 2dxm h LEU 105 Ca -0.08 -0.68 -0.08 0.00 0.09 0.00 0.00 57.88 57.12 2dxm h LEU 105 Cb 1.75 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 2dxm h LEU 105 CO 0.10 1.31 0.06 0.25 0.09 0.00 0.00 178.44 180.25 2dxm h LEU 106 N 0.23 1.02 -1.07 1.67 5.85 -1.60 -2.04 115.31 119.37 2dxm h LEU 106 Ca -0.07 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2dxm h LEU 106 Cb 1.35 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2dxm h LEU 106 CO 0.14 1.04 0.59 1.23 -0.34 0.00 0.00 178.44 181.10 2dxm h GLY 107 N 0.96 1.30 1.13 3.75 0.00 -1.53 0.15 103.07 108.82 2dxm h GLY 107 Ca 0.18 -0.50 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 2dxm h GLY 107 CO 0.02 0.49 -0.42 3.43 0.00 0.00 0.00 176.54 180.06 2dxm h ASN 108 N 1.25 0.99 -0.20 0.19 2.35 -1.37 -2.54 115.58 116.25 2dxm h ASN 108 Ca 0.33 -0.48 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 2dxm h ASN 108 Cb -0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.95 2dxm h ASN 108 CO -0.07 1.28 -0.10 0.58 -1.65 0.00 0.00 177.43 177.47 2dxm h VAL 109 N 0.73 1.23 -0.24 2.81 2.07 -0.98 -2.23 116.25 119.66 2dxm h VAL 109 Ca 0.05 -1.02 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 2dxm h VAL 109 Cb 1.02 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2dxm h VAL 109 CO 0.10 0.34 -0.25 0.25 0.02 0.00 0.00 177.57 178.04 2dxm h LEU 110 N 0.53 0.45 -0.47 2.57 5.85 -0.55 -1.53 115.31 122.17 2dxm h LEU 110 Ca 0.10 -0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 2dxm h LEU 110 Cb 0.49 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2dxm h LEU 110 CO 0.03 0.69 -0.58 0.58 -0.34 0.00 0.00 178.44 178.82 2dxm h VAL 111 N 0.40 1.32 -0.01 1.05 2.07 -1.02 -2.19 116.25 117.87 2dxm h VAL 111 Ca 0.06 -1.84 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 2dxm h VAL 111 Cb 0.65 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2dxm h VAL 111 CO 0.05 0.57 -0.56 0.00 0.02 0.00 0.00 177.57 177.65 2dxm h VAL 113 N 0.01 1.40 0.00 0.00 2.07 -1.12 -2.30 116.25 116.31 2dxm h VAL 113 Ca -0.01 -2.26 -0.16 0.00 0.82 0.00 0.00 66.70 65.09 2dxm h VAL 113 Cb 1.00 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2dxm h VAL 113 CO 0.07 0.63 -0.77 -0.07 0.02 0.00 0.00 177.57 177.46 2dxm h LEU 114 N 0.00 0.00 -0.43 2.57 3.38 -1.05 -1.81 115.31 117.97 2dxm h LEU 114 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2dxm h LEU 114 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2dxm h LEU 114 CO 0.08 0.77 -0.67 0.00 0.09 0.00 0.00 178.44 178.71 2dxm h ALA 115 N 1.23 0.61 -0.21 1.53 0.00 -1.24 -2.18 119.26 119.00 2dxm h ALA 115 Ca -0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2dxm h ALA 115 Cb 1.48 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2dxm h ALA 115 CO 0.10 0.73 -0.34 1.25 0.00 0.00 0.00 179.25 180.99 2dxm h HIS 116 N 0.35 0.74 0.01 0.00 -0.00 -1.30 -0.04 115.15 114.90 2dxm h HIS 116 Ca -0.02 -0.25 -0.23 0.00 -0.00 0.00 0.00 60.37 59.87 2dxm h HIS 116 Cb 1.24 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2dxm h HIS 116 CO 0.05 0.99 -0.96 0.45 -0.00 0.00 0.00 177.93 178.46 2dxm h HIS 117 N 0.28 0.62 0.00 5.26 -0.00 -1.37 -3.36 115.15 116.58 2dxm h HIS 117 Ca 0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 2dxm h HIS 117 Cb 0.92 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 2dxm h HIS 117 CO 0.09 1.17 -1.24 1.19 -0.00 0.00 0.00 177.93 179.14 2dxm n PHE 118 N -3.74 0.00 0.00 2.45 3.01 -0.82 -5.05 117.46 113.31 2dxm n PHE 118 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2dxm n PHE 118 Cb 0.85 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 2dxm n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dxm n GLY 119 N 1.43 4.08 0.02 1.37 0.00 -0.03 -2.32 105.19 109.74 2dxm n GLY 119 Ca 0.02 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2dxm n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dxm n LYS 120 N 14.00 0.03 0.18 1.61 2.85 -1.26 -2.40 118.16 133.17 2dxm n LYS 120 Ca 0.00 0.21 0.12 0.00 -1.05 0.00 0.00 58.31 57.59 2dxm n LYS 120 Cb 0.00 -1.55 0.24 0.00 -0.65 0.00 0.00 35.03 33.07 2dxm n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2dxm h GLU 121 N 0.00 0.00 -3.06 -1.58 4.81 -1.86 -3.33 114.58 109.56 2dxm h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 2dxm h GLU 121 Cb 0.34 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.58 2dxm h GLU 121 CO 0.00 0.00 2.27 0.34 -0.73 0.00 0.00 179.01 180.89 2dxm n PHE 122 N -2.81 2.75 -0.98 0.92 7.35 -1.01 -4.96 117.46 118.72 2dxm n PHE 122 Ca 0.04 -2.81 -0.30 0.00 -0.76 0.00 0.00 57.45 53.62 2dxm n PHE 122 Cb 0.50 -1.91 0.16 0.00 0.35 0.00 0.00 39.48 38.57 2dxm n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dxm s THR 123 N -0.30 2.52 0.26 -2.13 -4.23 -1.25 -4.71 115.64 105.80 2dxm s THR 123 Ca 0.47 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 61.14 2dxm s THR 123 Cb 0.14 -2.47 0.24 0.00 1.34 0.00 0.00 72.50 71.75 2dxm s THR 123 CO -0.04 -0.22 1.78 -0.65 -0.54 0.00 0.00 174.62 174.95 2dxm h PRO 124 N -1.74 0.68 -0.33 3.99 0.11 -1.94 -1.00 132.00 131.78 2dxm h PRO 124 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 2dxm h PRO 124 Cb 1.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2dxm h PRO 124 CO 0.50 0.45 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.21 2dxm h PRO 125 N 0.70 0.61 -0.54 1.05 0.11 -1.99 -1.23 132.00 130.70 2dxm h PRO 125 Ca 0.45 -0.21 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 2dxm h PRO 125 Cb 0.57 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 2dxm h PRO 125 CO -0.32 0.75 -0.04 0.28 -0.21 0.00 0.00 178.00 178.46 2dxm h VAL 126 N 0.54 1.27 -0.62 3.15 2.07 -1.75 -2.40 116.25 118.51 2dxm h VAL 126 Ca 0.09 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 2dxm h VAL 126 Cb 0.61 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2dxm h VAL 126 CO 0.04 0.41 0.13 -0.61 0.02 0.00 0.00 177.57 177.56 2dxm h GLN 127 N 0.85 1.01 -0.95 1.57 4.15 -0.99 -2.08 115.11 118.67 2dxm h GLN 127 Ca 0.15 -0.25 0.09 0.00 0.77 0.00 0.00 58.65 59.41 2dxm h GLN 127 Cb 0.58 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.07 2dxm h GLN 127 CO 0.03 0.93 0.59 0.00 -1.93 0.00 0.00 178.83 178.45 2dxm h ALA 128 N 1.04 1.38 -0.17 3.38 0.00 -0.99 -0.66 119.26 123.24 2dxm h ALA 128 Ca 0.19 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2dxm h ALA 128 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2dxm h ALA 128 CO 0.01 0.26 -0.40 0.00 0.00 0.00 0.00 179.25 179.12 2dxm h ALA 129 N 1.49 0.28 0.00 0.00 0.00 -1.13 -3.14 119.26 116.75 2dxm h ALA 129 Ca 0.45 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dxm h ALA 129 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2dxm h ALA 129 CO -0.23 0.37 -0.20 1.88 0.00 0.00 0.00 179.25 181.07 2dxm h TYR 130 N 0.22 0.00 -0.34 0.00 0.05 -0.75 -2.72 116.97 113.42 2dxm h TYR 130 Ca -0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2dxm h TYR 130 Cb 1.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 2dxm h TYR 130 CO 0.10 0.20 -0.18 1.96 -1.05 0.00 0.00 178.16 179.18 2dxm h GLN 131 N 0.00 0.72 0.00 4.88 1.08 -1.10 -1.36 115.11 119.34 2dxm h GLN 131 Ca -0.00 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 2dxm h GLN 131 Cb 0.49 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2dxm h GLN 131 CO 0.03 0.93 -0.07 0.87 -0.95 0.00 0.00 178.83 179.64 2dxm h LYS 132 N 0.49 0.00 0.16 1.46 1.57 -1.45 -1.39 116.57 117.42 2dxm h LYS 132 Ca 0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.51 2dxm h LYS 132 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2dxm h LYS 132 CO 0.05 0.07 -1.79 0.28 -0.57 0.00 0.00 179.45 177.49 2dxm h VAL 133 N 0.00 0.84 0.00 0.50 2.07 -1.32 -2.00 116.25 116.34 2dxm h VAL 133 Ca -0.00 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.05 2dxm h VAL 133 Cb 0.20 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 2dxm h VAL 133 CO 0.01 0.85 -0.16 -0.37 0.02 0.00 0.00 177.57 177.91 2dxm h VAL 134 N 0.03 0.52 0.23 2.57 -1.51 -1.01 0.03 116.25 117.11 2dxm h VAL 134 Ca -0.37 -0.81 -0.34 0.00 -1.23 0.00 0.00 66.70 63.94 2dxm h VAL 134 Cb 2.03 1.55 0.03 0.00 -2.13 0.00 0.00 31.29 32.77 2dxm h VAL 134 CO 0.13 0.16 -1.59 0.00 -1.23 0.00 0.00 177.57 175.05 2dxm h ALA 135 N 1.84 -0.05 -0.35 5.19 0.00 -1.35 -2.53 119.26 122.00 2dxm h ALA 135 Ca -0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 54.91 53.86 2dxm h ALA 135 Cb 0.54 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2dxm h ALA 135 CO 0.02 0.81 -0.13 0.78 0.00 0.00 0.00 179.25 180.73 2dxm h GLY 136 N 0.33 0.66 0.82 0.00 0.00 -0.94 -0.86 103.07 103.08 2dxm h GLY 136 Ca -0.29 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.46 2dxm h GLY 136 CO 0.24 0.44 -0.29 -2.08 0.00 0.00 0.00 176.54 174.86 2dxm h VAL 137 N 0.55 1.35 -0.51 4.60 2.07 -1.10 -2.44 116.25 120.78 2dxm h VAL 137 Ca 0.10 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 2dxm h VAL 137 Cb 0.55 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2dxm h VAL 137 CO 0.03 0.46 0.19 0.00 0.02 0.00 0.00 177.57 178.27 2dxm h ALA 138 N 0.58 1.37 -0.17 1.67 0.00 -1.23 -2.10 119.26 119.37 2dxm h ALA 138 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2dxm h ALA 138 Cb 0.87 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2dxm h ALA 138 CO 0.06 0.47 -0.29 -0.91 0.00 0.00 0.00 179.25 178.59 2dxm h ASN 139 N 0.74 0.55 -0.90 0.00 2.35 -1.17 -2.81 115.58 114.35 2dxm h ASN 139 Ca 0.17 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2dxm h ASN 139 Cb 0.18 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 2dxm h ASN 139 CO -0.01 0.98 0.50 0.00 -1.65 0.00 0.00 177.43 177.25 2dxm h ALA 140 N 0.59 1.19 0.00 -0.83 0.00 -1.18 -1.62 119.26 117.41 2dxm h ALA 140 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dxm h ALA 140 Cb 0.87 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dxm h ALA 140 CO 0.07 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.90 2dxm h LEU 141 N 1.25 0.00 -2.68 0.00 3.38 -1.42 -2.95 115.31 112.90 2dxm h LEU 141 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2dxm h LEU 141 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2dxm h LEU 141 CO -0.05 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.48 2dxm n ALA 142 N -2.10 2.32 -0.01 1.53 0.00 -0.83 -4.43 120.51 116.99 2dxm n ALA 142 Ca 0.01 -1.17 -0.10 0.00 0.00 0.00 0.00 53.44 52.18 2dxm n ALA 142 Cb 0.37 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 19.14 2dxm n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dxm h HIS 143 N 3.43 0.76 -0.47 0.00 6.17 -1.13 -3.27 115.15 120.63 2dxm h HIS 143 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 60.37 60.81 2dxm h HIS 143 Cb 0.87 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.66 2dxm h HIS 143 CO 0.34 1.01 0.00 1.63 0.71 0.00 0.00 177.93 181.62 2dxm n LYS 144 N -3.97 3.57 -2.65 5.26 4.76 -1.26 -4.92 118.16 118.96 2dxm n LYS 144 Ca -0.03 -2.32 -0.42 0.00 -2.87 0.00 0.00 58.31 52.66 2dxm n LYS 144 Cb 0.60 -1.93 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2dxm n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dxm s TYR 145 N -2.07 3.57 0.00 2.13 2.02 -1.24 -4.74 117.35 117.02 2dxm s TYR 145 Ca 0.41 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.70 2dxm s TYR 145 Cb 0.29 -3.19 0.00 0.00 -0.40 0.00 0.00 41.96 38.65 2dxm s TYR 145 CO 0.16 -0.31 0.00 -2.39 -1.57 0.00 0.00 175.55 171.43