#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dke s HIS 2 N 0.00 2.88 0.05 3.52 3.76 -1.26 -4.92 115.29 119.32 1dke s HIS 2 Ca 0.00 0.42 -0.09 0.00 -0.15 0.00 0.00 55.06 55.24 1dke s HIS 2 Cb 0.00 -4.09 -0.05 0.00 1.11 0.00 0.00 32.58 29.54 1dke s HIS 2 CO 0.00 -1.17 0.35 -0.51 -0.85 0.00 0.00 174.74 172.56 1dke s LEU 3 N 3.95 4.36 0.62 0.89 1.02 -1.26 -5.08 118.68 123.18 1dke s LEU 3 Ca 0.39 0.71 -0.13 0.00 0.02 0.00 0.00 54.13 55.13 1dke s LEU 3 Cb -0.10 -2.87 -0.03 0.00 0.02 0.00 0.00 46.19 43.22 1dke s LEU 3 CO 0.27 0.20 1.03 -0.89 0.02 0.00 0.00 176.35 176.99 1dke s THR 4 N -1.36 4.33 0.16 5.49 2.01 -1.26 -4.85 115.64 120.16 1dke s THR 4 Ca 0.31 0.87 -0.18 0.00 0.31 0.00 0.00 61.69 63.00 1dke s THR 4 Cb -0.14 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 68.82 1dke s THR 4 CO 0.17 -0.87 1.67 -0.65 -0.69 0.00 0.00 174.62 174.25 1dke h PRO 5 N -0.09 -0.04 -0.67 4.92 0.11 -2.00 -0.74 132.00 133.49 1dke h PRO 5 Ca -0.45 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1dke h PRO 5 Cb 1.20 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1dke h PRO 5 CO 0.60 -0.03 0.45 0.93 -0.21 0.00 0.00 178.00 179.73 1dke h GLU 6 N -0.04 0.53 -0.25 1.05 3.07 -2.02 -2.61 114.58 114.31 1dke h GLU 6 Ca 0.17 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1dke h GLU 6 Cb 0.30 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1dke h GLU 6 CO -0.38 0.35 -0.10 0.93 -1.40 0.00 0.00 179.01 178.41 1dke h GLU 7 N 0.55 0.52 0.31 2.33 5.08 -1.53 -3.16 114.58 118.68 1dke h GLU 7 Ca 0.31 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dke h GLU 7 Cb 0.48 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1dke h GLU 7 CO -0.10 0.76 -0.26 -0.22 -1.00 0.00 0.00 179.01 178.19 1dke h LYS 8 N 0.25 -0.57 -0.86 2.33 3.64 -0.94 -1.60 116.57 118.83 1dke h LYS 8 Ca 0.06 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.70 1dke h LYS 8 Cb 0.60 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.40 1dke h LYS 8 CO 0.03 -0.38 0.13 1.03 -2.27 0.00 0.00 179.45 178.00 1dke h SER 9 N -0.59 -0.18 -0.18 4.20 0.87 -1.55 -0.85 113.55 115.27 1dke h SER 9 Ca -0.02 0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 1dke h SER 9 Cb 0.52 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1dke h SER 9 CO -0.03 -0.19 -0.22 0.00 -0.53 0.00 0.00 176.83 175.86 1dke h ALA 10 N 1.79 1.01 -0.37 6.23 0.00 -1.39 -0.85 119.26 125.69 1dke h ALA 10 Ca 0.52 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1dke h ALA 10 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1dke h ALA 10 CO -0.70 0.59 -0.12 0.28 0.00 0.00 0.00 179.25 179.29 1dke h VAL 11 N 0.55 1.28 -0.36 0.00 2.07 -0.20 -2.07 116.25 117.52 1dke h VAL 11 Ca 0.08 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 1dke h VAL 11 Cb 0.67 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1dke h VAL 11 CO 0.05 0.40 -0.23 0.74 0.02 0.00 0.00 177.57 178.55 1dke h THR 12 N 0.52 1.29 0.64 2.57 2.02 -1.39 -0.78 112.91 117.77 1dke h THR 12 Ca 0.09 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1dke h THR 12 Cb 0.65 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1dke h THR 12 CO 0.04 0.45 -0.32 0.00 0.37 0.00 0.00 175.52 176.07 1dke h ALA 13 N 0.78 -0.88 -0.67 6.16 0.00 -1.05 -2.21 119.26 121.39 1dke h ALA 13 Ca 0.07 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1dke h ALA 13 Cb 0.79 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1dke h ALA 13 CO 0.06 -1.00 0.18 1.25 0.00 0.00 0.00 179.25 179.75 1dke h LEU 14 N -0.88 0.07 -1.88 0.00 5.85 -1.38 -2.53 115.31 114.56 1dke h LEU 14 Ca -0.09 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1dke h LEU 14 Cb 0.68 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1dke h LEU 14 CO 0.13 0.02 0.11 -0.25 -0.34 0.00 0.00 178.44 178.11 1dke h TRP 15 N 0.31 0.15 0.00 1.25 2.91 -0.69 -1.80 115.95 118.08 1dke h TRP 15 Ca 0.36 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.37 1dke h TRP 15 Cb 0.55 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1dke h TRP 15 CO -0.23 0.09 -0.04 0.78 -1.03 0.00 0.00 178.44 178.01 1dke h GLY 16 N 0.16 0.00 0.48 2.65 0.00 -0.95 -1.85 103.07 103.56 1dke h GLY 16 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1dke h GLY 16 CO -0.01 0.00 -0.21 0.28 0.00 0.00 0.00 176.54 176.60 1dke n LYS 17 N -3.52 0.77 -3.03 4.80 5.02 -0.68 -4.92 118.16 116.60 1dke n LYS 17 Ca -0.02 -0.40 -0.41 0.00 -2.02 0.00 0.00 58.31 55.46 1dke n LYS 17 Cb 0.14 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1dke n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dke s VAL 18 N -2.50 4.95 -0.70 -0.18 1.01 -0.70 -4.98 120.40 117.30 1dke s VAL 18 Ca 0.26 1.34 -0.26 0.00 0.00 0.00 0.00 61.98 63.31 1dke s VAL 18 Cb 0.19 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1dke s VAL 18 CO 0.51 0.04 1.17 0.21 0.00 0.00 0.00 175.10 177.03 1dke s ASN 19 N 1.27 6.18 0.23 3.32 3.84 -1.26 -4.88 114.94 123.63 1dke s ASN 19 Ca 0.31 -0.58 -0.07 0.00 0.21 0.00 0.00 52.86 52.73 1dke s ASN 19 Cb -0.16 -2.51 0.35 0.00 -0.55 0.00 0.00 41.25 38.37 1dke s ASN 19 CO 0.10 -1.69 1.77 0.58 -2.79 0.00 0.00 177.10 175.07 1dke h VAL 20 N 6.02 0.82 0.33 -5.21 2.07 -1.96 0.22 116.25 118.55 1dke h VAL 20 Ca -0.28 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1dke h VAL 20 Cb 1.06 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1dke h VAL 20 CO 1.24 0.11 -0.16 0.44 0.02 0.00 0.00 177.57 179.22 1dke h ASP 21 N 0.58 -0.37 -0.51 0.57 5.19 -1.90 -0.13 116.42 119.85 1dke h ASP 21 Ca 0.35 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.59 1dke h ASP 21 Cb 0.40 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1dke h ASP 21 CO -0.28 -0.16 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.23 1dke h GLU 22 N -0.57 0.97 -0.24 3.56 5.08 -1.93 -2.81 114.58 118.65 1dke h GLU 22 Ca -0.05 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.82 1dke h GLU 22 Cb 0.42 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1dke h GLU 22 CO 0.07 1.04 -0.38 0.28 -1.00 0.00 0.00 179.01 179.02 1dke h VAL 23 N 0.84 1.30 0.05 3.13 2.07 -0.97 -2.86 116.25 119.80 1dke h VAL 23 Ca 0.13 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1dke h VAL 23 Cb 0.67 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1dke h VAL 23 CO 0.05 0.48 -0.02 1.23 0.02 0.00 0.00 177.57 179.32 1dke h GLY 24 N 1.07 -0.07 0.87 2.17 0.00 -1.01 -0.12 103.07 105.99 1dke h GLY 24 Ca 0.04 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.48 1dke h GLY 24 CO 0.07 -0.02 0.53 -1.33 0.00 0.00 0.00 176.54 175.79 1dke h GLY 25 N -0.30 1.13 0.69 4.60 0.00 -1.52 -2.03 103.07 105.64 1dke h GLY 25 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1dke h GLY 25 CO 0.01 0.22 -0.03 -2.09 0.00 0.00 0.00 176.54 174.65 1dke h GLU 26 N 0.84 0.17 -0.07 4.80 4.57 -1.25 0.46 114.58 124.11 1dke h GLU 26 Ca 0.37 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1dke h GLU 26 Cb 0.33 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1dke h GLU 26 CO -0.14 0.52 0.02 0.00 -1.18 0.00 0.00 179.01 178.23 1dke h ALA 27 N 0.65 0.09 -0.23 2.92 0.00 -0.88 0.29 119.26 122.10 1dke h ALA 27 Ca 0.02 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1dke h ALA 27 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1dke h ALA 27 CO 0.01 -0.29 -0.23 1.25 0.00 0.00 0.00 179.25 179.99 1dke h LEU 28 N -0.09 0.43 -0.32 0.00 5.85 -1.45 0.75 115.31 120.47 1dke h LEU 28 Ca 0.02 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1dke h LEU 28 Cb 0.23 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1dke h LEU 28 CO -0.00 0.66 0.08 1.23 -0.34 0.00 0.00 178.44 180.08 1dke h GLY 29 N 1.00 0.55 1.88 3.75 0.00 -0.63 -2.32 103.07 107.30 1dke h GLY 29 Ca 0.06 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1dke h GLY 29 CO 0.04 0.32 -0.37 3.21 0.00 0.00 0.00 176.54 179.74 1dke h ARG 30 N 0.36 0.13 -0.32 4.80 3.08 0.02 -2.79 114.38 119.66 1dke h ARG 30 Ca 0.10 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1dke h ARG 30 Cb 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1dke h ARG 30 CO 0.00 0.49 0.17 1.25 -1.07 0.00 0.00 179.97 180.81 1dke h LEU 31 N 0.12 0.26 -1.98 3.04 5.85 -0.35 -1.25 115.31 121.01 1dke h LEU 31 Ca 0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1dke h LEU 31 Cb 0.72 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1dke h LEU 31 CO 0.05 0.19 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.18 1dke h LEU 32 N 0.35 0.00 0.09 2.25 4.07 -1.19 -1.32 115.31 119.56 1dke h LEU 32 Ca 0.13 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.79 1dke h LEU 32 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1dke h LEU 32 CO -0.08 0.09 -1.57 0.58 -1.08 0.00 0.00 178.44 176.38 1dke h VAL 33 N 0.00 0.87 -0.02 1.22 2.07 -1.22 -3.28 116.25 115.89 1dke h VAL 33 Ca -0.00 -2.33 -0.21 0.00 0.82 0.00 0.00 66.70 64.98 1dke h VAL 33 Cb 0.32 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1dke h VAL 33 CO 0.01 0.68 -0.88 0.58 0.02 0.00 0.00 177.57 177.98 1dke h VAL 34 N -0.34 1.41 -2.69 2.57 2.07 -1.22 -3.36 116.25 114.69 1dke h VAL 34 Ca -0.35 -2.39 -0.61 0.00 0.82 0.00 0.00 66.70 64.17 1dke h VAL 34 Cb 1.75 2.35 -0.41 0.00 -1.52 0.00 0.00 31.29 33.46 1dke h VAL 34 CO 0.01 0.71 -0.72 -1.22 0.02 0.00 0.00 177.57 176.37 1dke n TYR 35 N -3.76 1.93 0.30 1.57 4.01 -0.50 -4.99 117.16 115.72 1dke n TYR 35 Ca -0.06 -3.97 0.19 0.00 -0.16 0.00 0.00 57.90 53.90 1dke n TYR 35 Cb 0.80 -0.36 0.98 0.00 -0.31 0.00 0.00 39.34 40.46 1dke n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dke h PRO 36 N 5.19 0.00 0.00 -0.72 0.13 -1.72 0.96 132.00 135.84 1dke h PRO 36 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1dke h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1dke h PRO 36 CO 0.62 0.00 -0.02 0.11 -0.23 0.00 0.00 178.00 178.48 1dke h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.93 -1.52 115.95 114.15 1dke h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 1dke h TRP 37 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 1dke h TRP 37 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.34 1dke h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.13 -2.51 112.91 110.75 1dke h THR 38 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1dke h THR 38 Cb 0.37 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1dke h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1dke n GLN 39 N -2.53 0.11 0.19 4.72 6.02 -0.57 -3.58 117.38 121.74 1dke n GLN 39 Ca 0.00 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 1dke n GLN 39 Cb 0.17 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.60 1dke n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1dke h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.66 -0.55 114.38 111.18 1dke h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dke h ARG 40 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1dke h ARG 40 CO 0.00 0.00 -0.07 1.19 0.10 0.00 0.00 179.97 181.19 1dke n PHE 41 N -4.46 0.00 -1.96 4.08 3.01 -1.23 -4.39 117.46 112.50 1dke n PHE 41 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 1dke n PHE 41 Cb 0.23 -0.08 0.03 0.00 -0.01 0.00 0.00 39.48 39.64 1dke n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1dke n PHE 42 N -0.59 2.92 0.28 1.38 3.01 -0.22 -4.83 117.46 119.42 1dke n PHE 42 Ca 0.18 -2.47 0.18 0.00 1.01 0.00 0.00 57.45 56.35 1dke n PHE 42 Cb 0.27 -0.52 0.95 0.00 -0.01 0.00 0.00 39.48 40.18 1dke n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1dke h GLU 43 N 2.23 0.00 -0.28 -1.08 4.39 -1.77 -1.35 114.58 116.72 1dke h GLU 43 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1dke h GLU 43 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1dke h GLU 43 CO 0.93 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.65 1dke n SER 44 N -3.42 2.16 -0.10 1.42 3.41 -1.26 -4.33 113.62 111.50 1dke n SER 44 Ca -0.01 -1.85 0.14 0.00 -0.26 0.00 0.00 58.87 56.89 1dke n SER 44 Cb 0.24 -0.19 0.56 0.00 -0.26 0.00 0.00 64.21 64.57 1dke n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1dke n PHE 45 N 0.66 0.00 0.00 7.33 0.99 -0.51 -5.03 117.46 120.90 1dke n PHE 45 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1dke n PHE 45 Cb 0.39 -0.21 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 1dke n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1dke n GLY 46 N 1.32 0.76 3.60 1.37 0.00 -1.26 -4.83 105.19 106.15 1dke n GLY 46 Ca 0.13 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1dke n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dke s ASP 47 N -4.00 6.61 -0.04 1.61 3.68 -1.26 -4.82 116.67 118.45 1dke s ASP 47 Ca 0.00 0.49 0.10 0.00 2.13 0.00 0.00 52.55 55.27 1dke s ASP 47 Cb 0.00 -2.41 0.18 0.00 -1.45 0.00 0.00 42.92 39.24 1dke s ASP 47 CO 0.00 -0.72 1.08 0.18 0.13 0.00 0.00 175.17 175.84 1dke n LEU 48 N 6.41 0.81 0.23 -1.34 4.77 -1.26 -4.13 117.00 122.49 1dke n LEU 48 Ca 0.04 -1.78 0.12 0.00 -0.03 0.00 0.00 56.01 54.35 1dke n LEU 48 Cb 0.48 -0.11 0.39 0.00 -2.33 0.00 0.00 43.42 41.86 1dke n LEU 48 CO 0.53 0.47 0.82 0.77 -1.33 0.00 0.00 177.39 178.65 1dke h SER 49 N 0.32 0.00 -5.09 -1.43 4.64 -1.91 -3.44 113.55 106.64 1dke h SER 49 Ca -0.06 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.04 1dke h SER 49 Cb 1.43 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.37 1dke h SER 49 CO 0.02 0.14 -0.65 0.42 -0.87 0.00 0.00 176.83 175.89 1dke s THR 50 N -3.45 0.31 0.14 2.95 -4.23 -1.26 -5.01 115.64 105.08 1dke s THR 50 Ca 0.03 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.40 1dke s THR 50 Cb 0.08 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1dke s THR 50 CO 0.63 -0.42 1.68 -0.65 -0.54 0.00 0.00 174.62 175.32 1dke h PRO 51 N 2.77 -0.04 -0.50 3.99 0.11 -1.97 0.11 132.00 136.47 1dke h PRO 51 Ca -0.36 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 1dke h PRO 51 Cb 1.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1dke h PRO 51 CO 0.60 -0.03 0.18 -0.44 -0.21 0.00 0.00 178.00 178.11 1dke h ASP 52 N -0.04 0.65 -0.11 -2.05 3.45 -1.98 0.32 116.42 116.66 1dke h ASP 52 Ca 0.12 -0.08 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 1dke h ASP 52 Cb 0.23 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1dke h ASP 52 CO -0.28 0.60 -0.32 0.00 -1.57 0.00 0.00 179.24 177.67 1dke h ALA 53 N 1.50 0.91 0.05 3.45 0.00 -1.55 -0.36 119.26 123.26 1dke h ALA 53 Ca 0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dke h ALA 53 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1dke h ALA 53 CO -0.01 0.62 -0.02 0.28 0.00 0.00 0.00 179.25 180.11 1dke h VAL 54 N 0.51 1.30 -0.69 0.00 2.07 -0.30 -2.68 116.25 116.47 1dke h VAL 54 Ca 0.06 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1dke h VAL 54 Cb 0.81 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1dke h VAL 54 CO 0.07 0.32 0.42 0.24 0.02 0.00 0.00 177.57 178.64 1dke h MET 55 N -0.66 0.80 -0.12 1.57 2.86 -0.28 -2.94 114.93 116.16 1dke h MET 55 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1dke h MET 55 Cb 0.57 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1dke h MET 55 CO 0.01 0.53 0.00 0.41 1.06 0.00 0.00 176.91 178.92 1dke n GLY 56 N -1.29 -0.05 3.64 8.32 0.00 -0.15 -4.81 105.19 110.85 1dke n GLY 56 Ca 0.07 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1dke n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dke s ASN 57 N -1.57 6.71 0.53 1.61 3.84 -1.01 -4.87 114.94 120.16 1dke s ASN 57 Ca 0.31 1.41 0.30 0.00 0.21 0.00 0.00 52.86 55.09 1dke s ASN 57 Cb 0.16 -2.54 1.44 0.00 -0.55 0.00 0.00 41.25 39.77 1dke s ASN 57 CO 0.25 -1.02 1.91 -0.65 -2.79 0.00 0.00 177.10 174.80 1dke h PRO 58 N 9.20 0.03 -0.08 0.43 0.11 -1.91 -0.09 132.00 139.67 1dke h PRO 58 Ca -0.27 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.61 1dke h PRO 58 Cb 1.11 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1dke h PRO 58 CO 1.01 0.02 -0.84 0.87 -0.21 0.00 0.00 178.00 178.84 1dke h LYS 59 N 0.03 0.63 -0.02 1.05 6.56 -1.89 -1.54 116.57 121.39 1dke h LYS 59 Ca 0.40 -0.57 -0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1dke h LYS 59 Cb 1.56 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 33.36 1dke h LYS 59 CO -0.02 1.18 0.01 0.28 -2.06 0.00 0.00 179.45 178.85 1dke h VAL 60 N 0.41 1.04 -0.43 0.50 2.07 -1.34 -0.75 116.25 117.75 1dke h VAL 60 Ca -0.07 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1dke h VAL 60 Cb 1.47 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 1dke h VAL 60 CO 0.16 0.03 0.15 0.11 0.02 0.00 0.00 177.57 178.05 1dke h LYS 61 N -0.01 0.31 -0.67 1.57 1.57 -1.40 -0.92 116.57 117.02 1dke h LYS 61 Ca 0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1dke h LYS 61 Cb 0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1dke h LYS 61 CO -0.00 0.21 0.14 0.00 -0.57 0.00 0.00 179.45 179.22 1dke h ALA 62 N 1.28 0.98 -0.36 3.86 0.00 -1.13 -1.70 119.26 122.18 1dke h ALA 62 Ca 0.20 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1dke h ALA 62 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dke h ALA 62 CO -0.20 0.65 -0.29 1.25 0.00 0.00 0.00 179.25 180.66 1dke h HIS 63 N 1.02 0.99 -0.94 0.00 -0.00 -0.88 -2.89 115.15 112.45 1dke h HIS 63 Ca 0.21 -0.28 0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1dke h HIS 63 Cb 0.39 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.53 1dke h HIS 63 CO 0.03 1.07 0.60 0.78 -0.00 0.00 0.00 177.93 180.40 1dke h GLY 64 N 0.63 1.40 0.95 5.26 0.00 -0.97 -0.30 103.07 110.05 1dke h GLY 64 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1dke h GLY 64 CO 0.08 0.33 0.19 1.70 0.00 0.00 0.00 176.54 178.83 1dke h LYS 65 N 1.11 0.63 -0.29 4.80 3.64 -1.12 -1.08 116.57 124.26 1dke h LYS 65 Ca 0.40 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.52 1dke h LYS 65 Cb 0.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1dke h LYS 65 CO -0.16 0.57 -0.41 0.87 -2.27 0.00 0.00 179.45 178.05 1dke h LYS 66 N 0.55 0.71 -0.44 1.90 1.57 -1.17 -2.43 116.57 117.26 1dke h LYS 66 Ca 0.15 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1dke h LYS 66 Cb 0.16 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1dke h LYS 66 CO -0.01 0.99 0.25 0.28 -0.57 0.00 0.00 179.45 180.38 1dke h VAL 67 N 0.58 1.15 0.00 0.50 2.07 -0.81 -2.80 116.25 116.94 1dke h VAL 67 Ca 0.04 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1dke h VAL 67 Cb 0.96 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1dke h VAL 67 CO 0.09 0.16 -0.25 -0.07 0.02 0.00 0.00 177.57 177.52 1dke h LEU 68 N 0.58 0.00 -0.57 2.57 3.38 -1.24 -2.31 115.31 117.71 1dke h LEU 68 Ca 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1dke h LEU 68 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dke h LEU 68 CO -0.03 0.25 -0.21 1.23 0.09 0.00 0.00 178.44 179.77 1dke h GLY 69 N 2.92 1.00 1.02 0.83 0.00 -1.28 0.52 103.07 108.07 1dke h GLY 69 Ca -0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.36 1dke h GLY 69 CO 0.03 0.79 -0.13 0.00 0.00 0.00 0.00 176.54 177.24 1dke h ALA 70 N 0.95 0.60 -0.74 3.60 0.00 -1.32 -2.41 119.26 119.94 1dke h ALA 70 Ca 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1dke h ALA 70 Cb 0.77 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1dke h ALA 70 CO 0.06 0.51 0.45 0.35 0.00 0.00 0.00 179.25 180.62 1dke h PHE 71 N 0.68 0.98 -0.69 0.00 3.57 -1.13 -0.07 116.94 120.28 1dke h PHE 71 Ca 0.11 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.71 1dke h PHE 71 Cb 0.67 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1dke h PHE 71 CO 0.05 0.66 0.46 1.03 -2.23 0.00 0.00 178.31 178.28 1dke h SER 72 N 1.02 0.49 0.03 0.41 0.87 0.40 -0.35 113.55 116.42 1dke h SER 72 Ca 0.27 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1dke h SER 72 Cb -0.04 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1dke h SER 72 CO -0.05 0.29 -0.09 0.44 -0.53 0.00 0.00 176.83 176.89 1dke h ASP 73 N 0.54 0.14 -0.85 6.23 3.45 -0.52 -2.80 116.42 122.61 1dke h ASP 73 Ca 0.32 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.73 1dke h ASP 73 Cb 0.53 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.22 1dke h ASP 73 CO -0.11 0.25 0.43 1.23 -1.57 0.00 0.00 179.24 179.47 1dke h GLY 74 N 0.55 1.30 2.00 2.75 0.00 -0.97 -1.73 103.07 106.97 1dke h GLY 74 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1dke h GLY 74 CO 0.01 0.60 0.00 1.41 0.00 0.00 0.00 176.54 178.57 1dke h LEU 75 N 1.21 0.00 -0.30 3.11 3.38 -1.47 0.16 115.31 121.41 1dke h LEU 75 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1dke h LEU 75 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1dke h LEU 75 CO -0.04 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.20 1dke n ALA 76 N -1.99 3.13 -2.77 1.53 0.00 -0.65 -4.27 120.51 115.49 1dke n ALA 76 Ca -0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.96 1dke n ALA 76 Cb 0.12 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1dke n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dke n HIS 77 N -0.97 0.99 0.29 0.00 8.25 0.54 -4.97 115.22 119.35 1dke n HIS 77 Ca 0.10 -3.01 0.17 0.00 -0.26 0.00 0.00 57.72 54.73 1dke n HIS 77 Cb 0.33 -0.39 0.86 0.00 1.12 0.00 0.00 29.99 31.91 1dke n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1dke h LEU 78 N 3.00 0.00 -1.70 2.41 3.38 -1.69 0.66 115.31 121.37 1dke h LEU 78 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dke h LEU 78 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1dke h LEU 78 CO 0.50 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.50 1dke n ASP 79 N -3.11 2.65 -3.20 -0.43 8.00 -1.26 -4.35 116.55 114.84 1dke n ASP 79 Ca -0.00 -1.88 -0.24 0.00 0.71 0.00 0.00 54.79 53.37 1dke n ASP 79 Cb 0.38 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1dke n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1dke n ASN 80 N 1.07 0.23 0.08 -2.24 4.05 0.22 -4.96 115.26 113.72 1dke n ASN 80 Ca 0.15 -2.70 -0.22 0.00 0.45 0.00 0.00 54.58 52.26 1dke n ASN 80 Cb 0.54 -0.64 -0.15 0.00 1.23 0.00 0.00 39.78 40.77 1dke n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1dke h LEU 81 N 4.07 0.61 -0.77 1.20 3.38 -1.78 -3.07 115.31 118.95 1dke h LEU 81 Ca 0.08 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1dke h LEU 81 Cb 0.88 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1dke h LEU 81 CO 0.47 1.60 0.50 0.11 0.09 0.00 0.00 178.44 181.21 1dke h LYS 82 N -0.12 1.03 0.04 1.13 1.57 -1.91 -1.60 116.57 116.73 1dke h LYS 82 Ca -0.24 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.19 1dke h LYS 82 Cb 1.91 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 34.02 1dke h LYS 82 CO 0.18 0.70 -1.11 0.78 -0.57 0.00 0.00 179.45 179.43 1dke h GLY 83 N 1.05 0.75 2.00 3.86 0.00 -1.96 -1.35 103.07 107.43 1dke h GLY 83 Ca 0.28 -1.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.18 1dke h GLY 83 CO -0.06 1.24 -0.13 0.00 0.00 0.00 0.00 176.54 177.60 1dke h THR 84 N 0.34 1.02 -0.18 4.70 1.03 -1.41 -2.65 112.91 115.77 1dke h THR 84 Ca -0.15 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.81 1dke h THR 84 Cb 1.77 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 1dke h THR 84 CO 0.22 0.12 0.00 0.49 -0.01 0.00 0.00 175.52 176.34 1dke n PHE 85 N -4.29 0.21 -0.32 0.00 3.01 -0.62 -4.61 117.46 110.84 1dke n PHE 85 Ca -0.03 -0.13 0.04 0.00 1.01 0.00 0.00 57.45 58.34 1dke n PHE 85 Cb 0.20 -0.00 0.18 0.00 -0.01 0.00 0.00 39.48 39.85 1dke n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dke h ALA 86 N 3.89 1.29 -0.43 4.37 0.00 -0.86 -0.15 119.26 127.38 1dke h ALA 86 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1dke h ALA 86 Cb 0.86 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1dke h ALA 86 CO 0.00 0.21 -0.23 1.79 0.00 0.00 0.00 179.25 181.01 1dke h THR 87 N 0.93 1.27 0.00 0.00 1.35 -1.81 -1.91 112.91 112.74 1dke h THR 87 Ca 0.42 -1.38 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 1dke h THR 87 Cb 0.34 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1dke h THR 87 CO -0.23 0.47 -0.25 -0.07 -0.25 0.00 0.00 175.52 175.18 1dke h LEU 88 N 0.76 0.00 -0.11 3.87 3.38 -1.81 -0.32 115.31 121.08 1dke h LEU 88 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1dke h LEU 88 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1dke h LEU 88 CO 0.06 0.25 -0.32 -1.28 0.09 0.00 0.00 178.44 177.24 1dke h SER 89 N 0.00 0.48 -0.71 -0.43 0.87 -0.42 -0.52 113.55 112.81 1dke h SER 89 Ca -0.00 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 59.95 1dke h SER 89 Cb 0.56 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1dke h SER 89 CO 0.03 0.99 0.42 -0.33 -0.53 0.00 0.00 176.83 177.42 1dke h GLU 90 N -0.01 0.97 -0.29 2.24 5.08 -1.12 -1.41 114.58 120.04 1dke h GLU 90 Ca -0.01 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1dke h GLU 90 Cb 0.94 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1dke h GLU 90 CO 0.07 0.70 0.09 1.25 -1.00 0.00 0.00 179.01 180.11 1dke h LEU 91 N 0.98 0.43 -1.26 1.33 5.85 -0.98 -0.94 115.31 120.71 1dke h LEU 91 Ca 0.26 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1dke h LEU 91 Cb -0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1dke h LEU 91 CO -0.05 0.52 -0.35 0.45 -0.34 0.00 0.00 178.44 178.68 1dke h HIS 92 N 0.31 0.00 0.05 1.25 3.86 -0.86 -2.16 115.15 117.59 1dke h HIS 92 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1dke h HIS 92 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1dke h HIS 92 CO 0.01 0.35 -0.02 0.00 0.86 0.00 0.00 177.93 179.12 1dke h ASP 94 N -0.34 0.00 0.00 0.00 3.45 -1.29 -3.23 116.42 115.01 1dke h ASP 94 Ca -0.01 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.24 1dke h ASP 94 Cb 0.05 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 1dke h ASP 94 CO 0.01 0.51 -1.82 0.29 -1.57 0.00 0.00 179.24 176.67 1dke n LYS 95 N -3.78 0.62 0.01 3.56 4.76 -0.87 -4.70 118.16 117.75 1dke n LYS 95 Ca -0.01 0.07 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 1dke n LYS 95 Cb 0.55 -1.29 0.03 0.00 -1.84 0.00 0.00 35.03 32.48 1dke n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dke n LEU 96 N -2.85 0.69 -3.61 -0.35 4.77 -0.87 -5.02 117.00 109.76 1dke n LEU 96 Ca -0.25 -0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.35 1dke n LEU 96 Cb 0.79 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1dke n LEU 96 CO 0.16 0.14 -0.01 1.41 -1.33 0.00 0.00 177.39 177.76 1dke n HIS 97 N -1.69 -2.00 -3.52 -1.77 8.25 -0.79 -4.97 115.22 108.73 1dke n HIS 97 Ca 0.03 0.87 -0.39 0.00 -0.26 0.00 0.00 57.72 57.97 1dke n HIS 97 Cb 0.38 -4.63 -0.10 0.00 1.12 0.00 0.00 29.99 26.75 1dke n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dke s VAL 98 N -3.57 5.27 0.04 1.59 1.01 -0.82 -5.04 120.40 118.89 1dke s VAL 98 Ca 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 61.98 61.68 1dke s VAL 98 Cb -0.00 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1dke s VAL 98 CO 0.78 0.09 1.73 -0.67 0.00 0.00 0.00 175.10 177.03 1dke n ASP 99 N 5.15 3.28 0.16 3.32 4.64 -1.26 -4.80 116.55 127.04 1dke n ASP 99 Ca -0.12 1.03 0.10 0.00 -1.38 0.00 0.00 54.79 54.42 1dke n ASP 99 Cb 0.51 -1.40 0.55 0.00 -1.04 0.00 0.00 41.12 39.74 1dke n ASP 99 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1dke n PRO 100 N 5.00 0.13 -0.02 -0.67 -0.02 -1.26 -0.77 135.00 137.39 1dke n PRO 100 Ca 0.20 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.44 1dke n PRO 100 Cb 0.29 -1.96 0.56 0.00 -0.02 0.00 0.00 33.50 32.38 1dke n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1dke h GLU 101 N 0.00 0.26 -0.97 -0.52 4.57 -1.98 0.95 114.58 116.88 1dke h GLU 101 Ca 0.00 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1dke h GLU 101 Cb 0.05 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 1dke h GLU 101 CO 0.00 0.17 0.64 -0.91 -1.18 0.00 0.00 179.01 177.73 1dke h ASN 102 N 0.26 1.08 0.08 1.04 4.21 -1.31 -0.41 115.58 120.53 1dke h ASN 102 Ca 0.24 -0.02 -0.10 0.00 1.21 0.00 0.00 56.30 57.63 1dke h ASN 102 Cb 0.59 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1dke h ASN 102 CO -0.05 0.75 -0.32 -0.26 -1.29 0.00 0.00 177.43 176.27 1dke h PHE 103 N 1.26 0.40 -0.17 1.19 0.04 -0.99 -2.18 116.94 116.48 1dke h PHE 103 Ca 0.37 -0.09 -0.19 0.00 2.80 0.00 0.00 57.97 60.86 1dke h PHE 103 Cb -0.05 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1dke h PHE 103 CO -0.00 0.64 -0.67 -0.09 -0.60 0.00 0.00 178.31 177.59 1dke h ARG 104 N 0.31 0.67 0.05 1.51 2.43 -1.35 0.28 114.38 118.28 1dke h ARG 104 Ca 0.04 -0.49 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1dke h ARG 104 Cb 0.71 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1dke h ARG 104 CO 0.05 1.11 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.53 1dke h LEU 105 N 0.48 -0.06 -0.49 3.80 3.38 -1.06 -2.31 115.31 119.05 1dke h LEU 105 Ca -0.02 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.56 1dke h LEU 105 Cb 1.26 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1dke h LEU 105 CO 0.13 0.39 0.29 0.25 0.09 0.00 0.00 178.44 179.59 1dke h LEU 106 N -0.53 0.47 -0.94 1.67 5.85 -1.33 -1.41 115.31 119.08 1dke h LEU 106 Ca -0.01 0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.96 1dke h LEU 106 Cb 0.47 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.28 1dke h LEU 106 CO 0.01 0.33 0.48 1.23 -0.34 0.00 0.00 178.44 180.15 1dke h GLY 107 N 0.58 1.71 1.95 3.75 0.00 -0.29 0.68 103.07 111.45 1dke h GLY 107 Ca 0.20 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1dke h GLY 107 CO -0.09 -0.28 -0.79 3.43 0.00 0.00 0.00 176.54 178.80 1dke h ASN 108 N 0.45 0.06 -0.20 0.19 2.35 -0.95 -2.02 115.58 115.46 1dke h ASN 108 Ca 0.61 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 56.19 1dke h ASN 108 Cb 1.18 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1dke h ASN 108 CO -0.52 0.83 -0.33 0.58 -1.65 0.00 0.00 177.43 176.33 1dke h VAL 109 N 0.03 1.33 -0.47 2.81 2.07 -0.17 -2.79 116.25 119.05 1dke h VAL 109 Ca -0.01 -1.55 0.09 0.00 0.82 0.00 0.00 66.70 66.04 1dke h VAL 109 Cb 1.40 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 1dke h VAL 109 CO 0.11 0.48 -0.05 0.25 0.02 0.00 0.00 177.57 178.38 1dke h LEU 110 N 0.25 -0.30 -0.56 2.57 5.85 0.73 -1.34 115.31 122.51 1dke h LEU 110 Ca 0.01 0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1dke h LEU 110 Cb 0.92 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 1dke h LEU 110 CO 0.08 -0.10 0.10 0.58 -0.34 0.00 0.00 178.44 178.75 1dke h VAL 111 N 0.06 0.65 -0.88 1.05 2.07 -1.18 -0.62 116.25 117.40 1dke h VAL 111 Ca 0.23 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1dke h VAL 111 Cb 0.35 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1dke h VAL 111 CO -0.43 0.04 0.46 0.00 0.02 0.00 0.00 177.57 177.66 1dke h VAL 113 N 1.25 1.26 -0.44 0.00 2.07 -0.14 -1.61 116.25 118.64 1dke h VAL 113 Ca 0.31 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 1dke h VAL 113 Cb 0.07 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1dke h VAL 113 CO -0.04 0.43 -0.19 -0.07 0.02 0.00 0.00 177.57 177.72 1dke h LEU 114 N 0.89 0.93 -0.36 2.57 3.38 -0.84 0.19 115.31 122.07 1dke h LEU 114 Ca 0.15 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dke h LEU 114 Cb 0.61 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1dke h LEU 114 CO 0.04 1.11 0.23 0.00 0.09 0.00 0.00 178.44 179.91 1dke h ALA 115 N 0.84 0.46 0.34 1.53 0.00 -0.95 0.82 119.26 122.30 1dke h ALA 115 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dke h ALA 115 Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dke h ALA 115 CO 0.06 -0.07 -0.16 1.25 0.00 0.00 0.00 179.25 180.33 1dke h HIS 116 N 0.48 -0.42 -0.46 0.00 -0.00 -1.13 -0.27 115.15 113.35 1dke h HIS 116 Ca 0.13 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.52 1dke h HIS 116 Cb -0.04 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 1dke h HIS 116 CO -0.05 -0.24 0.26 1.25 -0.00 0.00 0.00 177.93 179.15 1dke h HIS 117 N -0.49 0.48 0.00 5.26 6.17 -0.58 -3.30 115.15 122.69 1dke h HIS 117 Ca -0.05 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1dke h HIS 117 Cb 0.37 -0.15 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1dke h HIS 117 CO -0.04 0.26 -1.06 1.19 0.71 0.00 0.00 177.93 178.98 1dke n PHE 118 N -4.86 0.07 -4.69 5.26 3.01 0.28 -5.08 117.46 111.45 1dke n PHE 118 Ca 0.03 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1dke n PHE 118 Cb 0.09 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1dke n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dke n GLY 119 N 1.43 1.19 0.51 1.37 0.00 -0.12 -3.46 105.19 106.11 1dke n GLY 119 Ca 0.03 -0.68 0.32 0.00 0.00 0.00 0.00 46.02 45.69 1dke n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dke h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.38 116.57 120.24 1dke h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dke h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1dke h LYS 120 CO 0.00 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 175.27 1dke n GLU 121 N -3.91 0.18 -2.83 1.90 2.13 -1.22 -3.56 120.64 113.32 1dke n GLU 121 Ca 0.22 0.36 -0.43 0.00 0.66 0.00 0.00 57.16 57.96 1dke n GLU 121 Cb 1.19 -1.81 0.01 0.00 0.27 0.00 0.00 31.44 31.09 1dke n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1dke n PHE 122 N -2.14 2.88 -0.92 4.31 7.35 0.13 -4.92 117.46 124.15 1dke n PHE 122 Ca 0.03 -2.81 -0.30 0.00 -0.76 0.00 0.00 57.45 53.61 1dke n PHE 122 Cb 0.26 -1.55 0.16 0.00 0.35 0.00 0.00 39.48 38.70 1dke n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1dke s THR 123 N -1.49 2.48 0.17 -2.13 -4.23 -1.23 -4.71 115.64 104.51 1dke s THR 123 Ca 0.34 0.16 -0.16 0.00 -1.18 0.00 0.00 61.69 60.85 1dke s THR 123 Cb 0.04 -2.40 0.10 0.00 1.34 0.00 0.00 72.50 71.59 1dke s THR 123 CO 0.05 -0.20 1.68 -0.65 -0.54 0.00 0.00 174.62 174.96 1dke h PRO 124 N -1.75 0.06 -0.09 3.99 0.11 -1.94 0.07 132.00 132.45 1dke h PRO 124 Ca -0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1dke h PRO 124 Cb 1.27 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1dke h PRO 124 CO 0.48 0.04 -0.16 -1.35 -0.21 0.00 0.00 178.00 176.80 1dke h PRO 125 N 0.06 0.14 -0.01 1.05 0.11 -1.99 -0.78 132.00 130.57 1dke h PRO 125 Ca 0.21 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 66.05 1dke h PRO 125 Cb 0.31 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.41 1dke h PRO 125 CO -0.39 0.30 -0.96 0.28 -0.21 0.00 0.00 178.00 177.03 1dke h VAL 126 N 0.13 1.36 -0.04 3.15 2.07 -1.67 -3.08 116.25 118.17 1dke h VAL 126 Ca 0.03 -2.37 0.03 0.00 0.82 0.00 0.00 66.70 65.21 1dke h VAL 126 Cb 0.37 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1dke h VAL 126 CO 0.02 0.72 -0.15 -0.61 0.02 0.00 0.00 177.57 177.57 1dke h GLN 127 N 0.29 -0.22 -0.92 1.57 4.15 -0.60 0.12 115.11 119.49 1dke h GLN 127 Ca -0.09 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.42 1dke h GLN 127 Cb 1.60 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 29.27 1dke h GLN 127 CO 0.17 -0.15 0.58 0.00 -1.93 0.00 0.00 178.83 177.50 1dke h ALA 128 N 0.74 1.29 -0.49 3.38 0.00 -1.12 0.38 119.26 123.44 1dke h ALA 128 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1dke h ALA 128 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dke h ALA 128 CO -0.17 0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.62 1dke h ALA 129 N 1.44 0.63 -0.55 0.00 0.00 -1.40 -2.28 119.26 117.10 1dke h ALA 129 Ca 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1dke h ALA 129 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1dke h ALA 129 CO -0.19 0.21 0.25 1.88 0.00 0.00 0.00 179.25 181.40 1dke h TYR 130 N 0.65 0.78 -0.71 0.00 0.05 0.14 -0.68 116.97 117.19 1dke h TYR 130 Ca 0.17 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1dke h TYR 130 Cb 0.13 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.59 1dke h TYR 130 CO -0.00 0.58 0.41 1.96 -1.05 0.00 0.00 178.16 180.06 1dke h GLN 131 N 0.78 0.97 -0.64 4.88 1.08 -0.13 0.11 115.11 122.18 1dke h GLN 131 Ca 0.19 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 1dke h GLN 131 Cb 0.10 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 1dke h GLN 131 CO -0.02 0.70 0.08 0.87 -0.95 0.00 0.00 178.83 179.51 1dke h LYS 132 N 0.99 1.06 0.22 1.46 1.57 -0.58 -2.52 116.57 118.78 1dke h LYS 132 Ca 0.25 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1dke h LYS 132 Cb -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1dke h LYS 132 CO -0.04 0.99 -0.11 0.28 -0.57 0.00 0.00 179.45 180.00 1dke h VAL 133 N 0.99 0.85 -0.84 0.50 2.07 -0.26 -2.19 116.25 117.36 1dke h VAL 133 Ca 0.19 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1dke h VAL 133 Cb 0.45 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1dke h VAL 133 CO 0.02 0.08 0.54 1.62 0.02 0.00 0.00 177.57 179.85 1dke h VAL 134 N -0.48 1.13 -0.43 2.57 3.04 -0.78 -0.47 116.25 120.83 1dke h VAL 134 Ca -0.03 -0.36 -0.08 0.00 -1.01 0.00 0.00 66.70 65.21 1dke h VAL 134 Cb 0.36 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.61 1dke h VAL 134 CO 0.05 0.19 -0.06 0.00 -1.01 0.00 0.00 177.57 176.74 1dke h ALA 135 N 1.35 0.59 -0.61 3.17 0.00 -1.44 -1.87 119.26 120.45 1dke h ALA 135 Ca 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1dke h ALA 135 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1dke h ALA 135 CO -0.12 0.44 0.20 0.78 0.00 0.00 0.00 179.25 180.55 1dke h GLY 136 N 0.64 1.00 0.96 0.00 0.00 -0.98 0.20 103.07 104.89 1dke h GLY 136 Ca 0.12 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1dke h GLY 136 CO 0.03 0.54 0.22 -2.08 0.00 0.00 0.00 176.54 175.25 1dke h VAL 137 N 0.86 1.16 -0.47 4.60 2.07 -1.06 0.44 116.25 123.85 1dke h VAL 137 Ca 0.20 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1dke h VAL 137 Cb 0.26 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1dke h VAL 137 CO -0.01 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.64 1dke h ALA 138 N 1.07 0.91 -0.73 1.67 0.00 -1.02 -0.86 119.26 120.29 1dke h ALA 138 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1dke h ALA 138 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dke h ALA 138 CO -0.02 0.63 0.28 -0.97 0.00 0.00 0.00 179.25 179.17 1dke h ASN 139 N 0.78 1.01 -0.33 0.00 -0.73 -0.75 -0.71 115.58 114.85 1dke h ASN 139 Ca 0.13 -0.15 -0.11 0.00 1.87 0.00 0.00 56.30 58.03 1dke h ASN 139 Cb 0.63 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1dke h ASN 139 CO 0.04 0.90 -0.21 0.00 -0.37 0.00 0.00 177.43 177.80 1dke h ALA 140 N 1.24 0.86 0.00 1.57 0.00 -0.50 -2.53 119.26 119.91 1dke h ALA 140 Ca 0.25 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1dke h ALA 140 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dke h ALA 140 CO -0.02 0.63 -0.26 -0.07 0.00 0.00 0.00 179.25 179.54 1dke h LEU 141 N 0.71 0.00 -0.68 0.00 3.38 -0.86 -2.76 115.31 115.09 1dke h LEU 141 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dke h LEU 141 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1dke h LEU 141 CO 0.06 0.26 -0.23 0.00 0.09 0.00 0.00 178.44 178.61 1dke n ALA 142 N -2.25 3.04 -0.06 1.53 0.00 -0.30 -4.54 120.51 117.94 1dke n ALA 142 Ca -0.00 -0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.06 1dke n ALA 142 Cb 0.44 -1.09 0.43 0.00 0.00 0.00 0.00 19.45 19.23 1dke n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dke h HIS 143 N 1.66 0.54 -0.65 0.00 6.17 -1.15 -2.61 115.15 119.10 1dke h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1dke h HIS 143 Cb 0.55 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.30 1dke h HIS 143 CO 0.00 0.31 0.00 1.63 0.71 0.00 0.00 177.93 180.58 1dke n LYS 144 N -4.47 2.76 -1.07 5.26 4.76 -1.26 -4.96 118.16 119.17 1dke n LYS 144 Ca 0.06 -2.44 -0.31 0.00 -2.87 0.00 0.00 58.31 52.75 1dke n LYS 144 Cb 0.18 -1.59 0.12 0.00 -1.84 0.00 0.00 35.03 31.90 1dke n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dke s TYR 145 N -1.28 2.25 0.00 2.13 2.02 -0.99 -4.82 117.35 116.67 1dke s TYR 145 Ca 0.45 1.61 0.00 0.00 -0.37 0.00 0.00 57.07 58.76 1dke s TYR 145 Cb 0.25 -3.15 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1dke s TYR 145 CO 0.28 -2.17 0.00 -2.39 -1.57 0.00 0.00 175.55 169.70