#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dke s LEU 2 N 0.00 4.56 0.00 6.55 1.43 -1.26 -5.06 118.68 124.90 1dke s LEU 2 Ca 0.00 2.16 0.05 0.00 -1.03 0.00 0.00 54.13 55.31 1dke s LEU 2 Cb 0.00 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.65 1dke s LEU 2 CO 0.00 -0.09 0.39 -1.54 0.23 0.00 0.00 176.35 175.34 1dke n SER 3 N 1.51 2.21 -0.05 2.29 3.41 -1.26 -4.90 113.62 116.84 1dke n SER 3 Ca -0.01 -2.42 -0.08 0.00 -0.26 0.00 0.00 58.87 56.10 1dke n SER 3 Cb 0.46 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1dke n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1dke h PRO 4 N 0.00 0.09 -0.90 4.33 0.11 -1.98 0.07 132.00 133.72 1dke h PRO 4 Ca -0.26 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1dke h PRO 4 Cb 0.99 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 1dke h PRO 4 CO 0.40 0.06 0.59 0.00 -0.21 0.00 0.00 178.00 178.84 1dke h ALA 5 N 1.17 1.15 -0.13 -0.75 0.00 -1.98 0.40 119.26 119.12 1dke h ALA 5 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1dke h ALA 5 Cb 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1dke h ALA 5 CO -0.15 0.52 -0.18 -0.44 0.00 0.00 0.00 179.25 179.00 1dke h ASP 6 N 1.20 -0.55 -0.58 0.00 3.32 -1.75 0.45 116.42 118.52 1dke h ASP 6 Ca 0.34 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 1dke h ASP 6 Cb -0.11 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1dke h ASP 6 CO -0.08 -0.23 0.16 0.11 -1.72 0.00 0.00 179.24 177.49 1dke h LYS 7 N -0.22 0.95 -0.20 3.56 1.57 -0.53 0.39 116.57 122.08 1dke h LYS 7 Ca 0.10 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1dke h LYS 7 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1dke h LYS 7 CO -0.26 0.84 -0.05 1.15 -0.57 0.00 0.00 179.45 180.56 1dke h THR 8 N 0.91 1.28 -0.58 -0.16 2.02 0.15 -2.58 112.91 113.95 1dke h THR 8 Ca 0.20 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1dke h THR 8 Cb 0.30 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1dke h THR 8 CO -0.00 0.31 0.29 0.78 0.37 0.00 0.00 175.52 177.26 1dke h ASN 9 N 0.11 0.76 -0.09 4.18 2.35 0.18 -2.28 115.58 120.79 1dke h ASN 9 Ca 0.05 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1dke h ASN 9 Cb 0.49 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1dke h ASN 9 CO 0.02 0.67 0.01 -0.37 -1.65 0.00 0.00 177.43 176.11 1dke h VAL 10 N 0.79 0.95 -0.25 2.81 -1.51 -0.18 0.51 116.25 119.37 1dke h VAL 10 Ca 0.20 -0.01 0.04 0.00 -1.23 0.00 0.00 66.70 65.69 1dke h VAL 10 Cb 0.11 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 1dke h VAL 10 CO -0.03 0.01 0.03 0.11 -1.23 0.00 0.00 177.57 176.47 1dke h LYS 11 N 0.04 0.12 -0.61 5.19 1.57 -1.46 0.30 116.57 121.72 1dke h LYS 11 Ca 0.04 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1dke h LYS 11 Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1dke h LYS 11 CO -0.06 0.08 0.31 0.00 -0.57 0.00 0.00 179.45 179.21 1dke h ALA 12 N 1.19 0.78 -0.22 3.86 0.00 -1.21 -0.38 119.26 123.29 1dke h ALA 12 Ca 0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1dke h ALA 12 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1dke h ALA 12 CO -0.17 0.33 -0.37 0.00 0.00 0.00 0.00 179.25 179.04 1dke h ALA 13 N 1.14 0.34 -0.18 0.00 0.00 -0.43 -2.81 119.26 117.33 1dke h ALA 13 Ca 0.21 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1dke h ALA 13 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dke h ALA 13 CO -0.03 0.42 -0.35 2.35 0.00 0.00 0.00 179.25 181.63 1dke h TRP 14 N 0.33 0.43 -0.94 0.00 2.91 -0.33 -2.36 115.95 115.99 1dke h TRP 14 Ca 0.02 -0.11 0.09 0.00 1.13 0.00 0.00 58.89 60.02 1dke h TRP 14 Cb 0.96 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.44 1dke h TRP 14 CO 0.09 0.68 0.60 0.78 -1.03 0.00 0.00 178.44 179.56 1dke h GLY 15 N 1.11 1.40 1.39 2.65 0.00 -1.05 -1.03 103.07 107.55 1dke h GLY 15 Ca 0.04 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 1dke h GLY 15 CO 0.06 0.24 -0.56 1.70 0.00 0.00 0.00 176.54 177.98 1dke h LYS 16 N 0.99 0.64 -0.59 4.80 1.63 -1.16 -2.98 116.57 119.90 1dke h LYS 16 Ca 0.43 -0.41 0.12 0.00 -0.85 0.00 0.00 60.65 59.94 1dke h LYS 16 Cb 0.34 0.05 -0.11 0.00 -0.60 0.00 0.00 32.23 31.91 1dke h LYS 16 CO -0.19 1.02 -0.21 0.28 -3.45 0.00 0.00 179.45 176.91 1dke h VAL 17 N 0.49 0.32 0.00 2.00 2.07 -0.95 -3.45 116.25 116.72 1dke h VAL 17 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1dke h VAL 17 Cb 1.12 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1dke h VAL 17 CO 0.11 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1dke n GLY 18 N -1.43 3.40 0.00 2.17 0.00 -1.09 -2.22 105.19 106.01 1dke n GLY 18 Ca 0.06 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1dke n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dke n ALA 19 N 10.93 2.25 1.36 4.61 0.00 -1.26 -2.40 120.51 136.00 1dke n ALA 19 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1dke n ALA 19 Cb 0.00 -1.41 0.62 0.00 0.00 0.00 0.00 19.45 18.66 1dke n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dke n HIS 20 N -1.32 0.00 -0.36 0.00 -0.00 -0.94 -4.36 115.22 108.24 1dke n HIS 20 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.87 1dke n HIS 20 Cb 0.21 -0.23 0.12 0.00 -0.00 0.00 0.00 29.99 30.09 1dke n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dke h ALA 21 N 3.50 0.54 0.18 -1.41 0.00 -1.59 0.17 119.26 120.65 1dke h ALA 21 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1dke h ALA 21 Cb 0.36 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1dke h ALA 21 CO 0.00 -0.44 -0.19 0.78 0.00 0.00 0.00 179.25 179.41 1dke h GLY 22 N -0.00 -0.40 0.55 0.00 0.00 -1.85 -0.94 103.07 100.43 1dke h GLY 22 Ca 0.45 0.22 0.05 0.00 0.00 0.00 0.00 47.33 48.05 1dke h GLY 22 CO -1.01 -0.18 0.05 -2.09 0.00 0.00 0.00 176.54 173.30 1dke h GLU 23 N -0.40 0.16 -0.66 4.80 4.81 -1.41 -2.22 114.58 119.65 1dke h GLU 23 Ca 0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1dke h GLU 23 Cb 0.38 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1dke h GLU 23 CO -0.05 0.10 0.44 1.88 -0.73 0.00 0.00 179.01 180.65 1dke h TYR 24 N 0.16 0.78 -0.17 0.92 0.99 -0.77 -1.74 116.97 117.14 1dke h TYR 24 Ca 0.17 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 1dke h TYR 24 Cb 0.20 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.66 1dke h TYR 24 CO -0.20 0.46 0.06 0.78 -0.00 0.00 0.00 178.16 179.26 1dke h GLY 25 N 0.82 0.29 1.41 3.88 0.00 -0.69 0.16 103.07 108.94 1dke h GLY 25 Ca 0.26 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 1dke h GLY 25 CO -0.07 0.16 -0.20 0.00 0.00 0.00 0.00 176.54 176.43 1dke h ALA 26 N 0.88 0.97 -0.44 3.60 0.00 -1.16 0.14 119.26 123.26 1dke h ALA 26 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1dke h ALA 26 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1dke h ALA 26 CO -0.00 0.60 0.07 1.49 0.00 0.00 0.00 179.25 181.41 1dke h GLU 27 N 0.61 0.73 -0.79 0.00 4.81 -1.09 0.04 114.58 118.88 1dke h GLU 27 Ca 0.09 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1dke h GLU 27 Cb 0.67 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1dke h GLU 27 CO 0.05 0.76 0.50 0.00 -0.73 0.00 0.00 179.01 179.59 1dke h ALA 28 N 0.94 1.05 -0.23 2.92 0.00 -0.21 0.44 119.26 124.18 1dke h ALA 28 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1dke h ALA 28 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dke h ALA 28 CO 0.01 0.30 0.02 -0.07 0.00 0.00 0.00 179.25 179.51 1dke h LEU 29 N 0.97 0.30 0.02 0.00 3.38 -0.43 -1.03 115.31 118.52 1dke h LEU 29 Ca 0.32 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 1dke h LEU 29 Cb 0.04 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1dke h LEU 29 CO -0.13 0.33 -0.65 -0.08 0.09 0.00 0.00 178.44 178.01 1dke h GLU 30 N 0.32 0.40 -0.61 1.13 4.81 0.41 -2.10 114.58 118.94 1dke h GLU 30 Ca 0.08 -0.46 0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1dke h GLU 30 Cb 0.18 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1dke h GLU 30 CO 0.00 1.13 0.31 0.00 -0.73 0.00 0.00 179.01 179.73 1dke h ARG 31 N -0.13 0.56 0.42 1.92 3.08 0.05 -1.31 114.38 118.98 1dke h ARG 31 Ca -0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1dke h ARG 31 Cb 1.38 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1dke h ARG 31 CO 0.13 0.37 -0.35 1.98 -1.07 0.00 0.00 179.97 181.03 1dke h MET 32 N 0.58 -0.75 -0.74 0.04 4.05 -1.17 -0.85 114.93 116.10 1dke h MET 32 Ca 0.28 0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.89 1dke h MET 32 Cb 0.21 0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 31.09 1dke h MET 32 CO -0.20 -0.50 0.30 0.74 0.23 0.00 0.00 176.91 177.48 1dke h PHE 33 N -0.78 0.51 0.02 1.39 0.04 -0.97 0.46 116.94 117.62 1dke h PHE 33 Ca -0.04 0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 1dke h PHE 33 Cb 0.67 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.72 1dke h PHE 33 CO -0.17 0.08 -0.55 -0.07 -0.60 0.00 0.00 178.31 177.00 1dke h LEU 34 N 0.45 0.45 -0.13 1.54 3.38 -1.21 -3.16 115.31 116.64 1dke h LEU 34 Ca 0.40 -0.79 -0.19 0.00 0.09 0.00 0.00 57.88 57.38 1dke h LEU 34 Cb 0.58 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1dke h LEU 34 CO -0.38 1.19 -0.91 0.28 0.09 0.00 0.00 178.44 178.70 1dke h SER 35 N -0.24 0.00 -2.63 -0.43 0.02 -1.04 -3.39 113.55 105.84 1dke h SER 35 Ca -0.07 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.27 1dke h SER 35 Cb 1.29 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.43 1dke h SER 35 CO 0.11 0.91 -0.80 0.49 -1.14 0.00 0.00 176.83 176.40 1dke n PHE 36 N -3.42 0.98 -0.16 3.45 3.01 0.16 -5.00 117.46 116.49 1dke n PHE 36 Ca -0.00 -3.76 0.29 0.00 1.01 0.00 0.00 57.45 54.98 1dke n PHE 36 Cb 0.88 -0.16 0.71 0.00 -0.01 0.00 0.00 39.48 40.90 1dke n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dke h PRO 37 N 5.39 0.00 0.00 -1.08 0.13 -1.72 -1.46 132.00 133.26 1dke h PRO 37 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1dke h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1dke h PRO 37 CO 0.54 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 180.07 1dke h THR 38 N 0.00 0.49 0.00 1.56 1.35 -1.92 -0.97 112.91 113.42 1dke h THR 38 Ca 0.42 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1dke h THR 38 Cb 1.89 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1dke h THR 38 CO -0.00 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 176.00 1dke h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.59 -2.88 112.91 116.61 1dke h THR 39 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1dke h THR 39 Cb 0.07 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1dke h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1dke h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.38 -2.89 116.57 118.60 1dke h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dke h LYS 40 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1dke h LYS 40 CO 0.00 0.00 0.10 1.79 -0.57 0.00 0.00 179.45 180.77 1dke h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.72 0.13 112.91 112.50 1dke h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dke h THR 41 Cb 0.46 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1dke h THR 41 CO 0.00 0.00 -0.34 -1.22 -0.25 0.00 0.00 175.52 173.71 1dke n TYR 42 N -2.87 0.00 -2.82 4.73 4.01 -1.09 -4.15 117.16 114.96 1dke n TYR 42 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 1dke n TYR 42 Cb 0.16 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1dke n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1dke n PHE 43 N -1.15 2.18 -0.19 -0.72 3.01 0.44 -4.93 117.46 116.11 1dke n PHE 43 Ca 0.09 -3.44 -0.00 0.00 1.01 0.00 0.00 57.45 55.11 1dke n PHE 43 Cb 0.33 -0.35 0.09 0.00 -0.01 0.00 0.00 39.48 39.55 1dke n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dke h PRO 44 N 2.89 0.19 -1.00 -1.08 0.13 -1.72 -1.58 132.00 129.83 1dke h PRO 44 Ca 0.11 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.65 1dke h PRO 44 Cb 0.89 -0.04 -0.30 0.00 0.13 0.00 0.00 31.00 31.68 1dke h PRO 44 CO 0.66 0.12 0.74 0.72 -0.23 0.00 0.00 178.00 180.02 1dke n HIS 45 N -5.19 3.12 -3.55 1.56 8.25 -1.26 -4.96 115.22 113.19 1dke n HIS 45 Ca 0.08 -2.30 -0.25 0.00 -0.26 0.00 0.00 57.72 54.99 1dke n HIS 45 Cb 0.31 -1.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.26 1dke n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1dke s PHE 46 N -3.48 3.49 -0.62 4.41 2.99 -0.60 -5.03 117.98 119.15 1dke s PHE 46 Ca 0.60 0.32 -0.22 0.00 0.00 0.00 0.00 56.93 57.63 1dke s PHE 46 Cb 0.49 -1.86 0.07 0.00 0.00 0.00 0.00 43.02 41.72 1dke s PHE 46 CO 0.06 0.24 0.89 0.34 -0.00 0.00 0.00 175.22 176.76 1dke s ASP 47 N -3.70 6.20 0.00 1.36 2.15 -1.26 -4.91 116.67 116.51 1dke s ASP 47 Ca 0.39 -0.97 0.09 0.00 0.43 0.00 0.00 52.55 52.48 1dke s ASP 47 Cb -0.10 -2.39 0.37 0.00 -0.30 0.00 0.00 42.92 40.50 1dke s ASP 47 CO 0.32 -1.31 1.26 0.18 -0.17 0.00 0.00 175.17 175.45 1dke n LEU 48 N 7.32 0.68 -4.76 -1.34 4.77 -1.26 -4.52 117.00 117.88 1dke n LEU 48 Ca -0.04 -0.32 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1dke n LEU 48 Cb 0.45 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1dke n LEU 48 CO 0.62 0.16 0.85 -0.94 -1.33 0.00 0.00 177.39 176.75 1dke s SER 49 N -1.17 5.72 -0.34 -1.43 1.04 -1.26 -4.87 113.70 111.39 1dke s SER 49 Ca 0.15 2.38 -0.39 0.00 0.48 0.00 0.00 55.95 58.57 1dke s SER 49 Cb 0.08 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.45 1dke s SER 49 CO 0.11 -1.23 1.99 1.57 0.98 0.00 0.00 173.24 176.66 1dke n HIS 50 N -0.97 1.73 -0.59 5.02 -0.00 -1.26 0.14 115.22 119.29 1dke n HIS 50 Ca 0.10 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.75 1dke n HIS 50 Cb 0.48 -2.46 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 1dke n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dke n GLY 51 N 5.69 0.74 3.54 1.57 0.00 -1.26 -5.02 105.19 110.44 1dke n GLY 51 Ca 0.37 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.94 1dke n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dke n SER 52 N 0.00 0.64 0.14 1.61 2.88 0.37 -4.84 113.62 114.41 1dke n SER 52 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1dke n SER 52 Cb 0.00 -1.21 0.15 0.00 -0.75 0.00 0.00 64.21 62.40 1dke n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dke h ALA 53 N 1.71 0.83 -0.51 -1.46 0.00 -1.88 -3.05 119.26 114.90 1dke h ALA 53 Ca -0.37 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 1dke h ALA 53 Cb 1.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1dke h ALA 53 CO 0.59 0.76 -0.09 1.96 0.00 0.00 0.00 179.25 182.47 1dke h GLN 54 N 0.00 0.96 -0.62 0.00 4.20 -1.88 -2.10 115.11 115.67 1dke h GLN 54 Ca -0.01 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 1dke h GLN 54 Cb 1.20 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 1dke h GLN 54 CO 0.08 1.02 0.27 0.28 -0.67 0.00 0.00 178.83 179.81 1dke h VAL 55 N 0.83 1.22 -0.34 -0.54 2.07 -1.78 -1.06 116.25 116.65 1dke h VAL 55 Ca 0.13 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1dke h VAL 55 Cb 0.65 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1dke h VAL 55 CO 0.04 0.27 0.13 0.11 0.02 0.00 0.00 177.57 178.14 1dke h LYS 56 N 0.85 0.28 -0.37 1.57 1.57 -1.40 0.43 116.57 119.50 1dke h LYS 56 Ca 0.21 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1dke h LYS 56 Cb 0.16 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1dke h LYS 56 CO -0.02 0.18 0.14 0.78 -0.57 0.00 0.00 179.45 179.97 1dke h GLY 57 N 0.29 0.48 1.29 3.86 0.00 -1.20 -2.27 103.07 105.51 1dke h GLY 57 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 1dke h GLY 57 CO -0.14 0.04 -0.38 0.84 0.00 0.00 0.00 176.54 176.90 1dke h HIS 58 N 0.31 0.93 -0.85 5.60 -0.00 -0.61 -2.81 115.15 117.71 1dke h HIS 58 Ca 0.17 -0.27 0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1dke h HIS 58 Cb 0.13 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 1dke h HIS 58 CO -0.14 1.04 0.57 0.78 -0.00 0.00 0.00 177.93 180.18 1dke h GLY 59 N 0.91 1.21 1.12 5.26 0.00 -0.56 -1.61 103.07 109.39 1dke h GLY 59 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1dke h GLY 59 CO 0.09 0.42 0.42 1.70 0.00 0.00 0.00 176.54 179.17 1dke h LYS 60 N 1.14 1.14 -0.22 4.80 1.63 -1.39 0.36 116.57 124.03 1dke h LYS 60 Ca 0.32 -0.14 -0.12 0.00 -0.85 0.00 0.00 60.65 59.86 1dke h LYS 60 Cb -0.10 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 1dke h LYS 60 CO -0.07 0.86 -0.36 0.87 -3.45 0.00 0.00 179.45 177.29 1dke h LYS 61 N 1.14 0.49 0.21 1.90 1.57 -1.05 -1.87 116.57 118.96 1dke h LYS 61 Ca 0.28 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1dke h LYS 61 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1dke h LYS 61 CO -0.04 0.78 -0.10 0.28 -0.57 0.00 0.00 179.45 179.80 1dke h VAL 62 N 0.41 0.83 -0.78 0.50 2.07 -1.02 -2.64 116.25 115.62 1dke h VAL 62 Ca 0.04 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.74 1dke h VAL 62 Cb 0.83 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 1dke h VAL 62 CO 0.07 0.18 0.51 0.00 0.02 0.00 0.00 177.57 178.35 1dke h ALA 63 N -0.19 1.73 -0.02 1.67 0.00 -0.29 -1.32 119.26 120.84 1dke h ALA 63 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1dke h ALA 63 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1dke h ALA 63 CO 0.05 0.12 -0.43 -0.44 0.00 0.00 0.00 179.25 178.55 1dke h ASP 64 N 0.75 0.04 -0.21 0.00 3.45 -1.31 0.54 116.42 119.67 1dke h ASP 64 Ca 0.35 -0.02 -0.21 0.00 0.43 0.00 0.00 57.03 57.59 1dke h ASP 64 Cb 0.38 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1dke h ASP 64 CO -0.13 0.46 -0.67 0.00 -1.57 0.00 0.00 179.24 177.33 1dke h ALA 65 N 1.54 0.38 -0.64 3.45 0.00 -0.88 -2.11 119.26 121.01 1dke h ALA 65 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1dke h ALA 65 Cb 0.77 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1dke h ALA 65 CO 0.06 0.68 0.24 -0.07 0.00 0.00 0.00 179.25 180.16 1dke h LEU 66 N 0.61 0.88 0.11 0.00 3.38 -1.12 -0.63 115.31 118.54 1dke h LEU 66 Ca -0.02 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1dke h LEU 66 Cb 1.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1dke h LEU 66 CO 0.14 0.79 -0.18 0.74 0.09 0.00 0.00 178.44 180.03 1dke h THR 67 N 0.93 0.60 -0.85 0.22 2.02 -0.57 0.16 112.91 115.41 1dke h THR 67 Ca 0.22 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.49 1dke h THR 67 Cb 0.21 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1dke h THR 67 CO -0.02 0.00 0.55 -1.13 0.37 0.00 0.00 175.52 175.30 1dke h ASN 68 N -0.35 0.75 -0.41 4.18 -1.24 -0.93 -0.35 115.58 117.24 1dke h ASN 68 Ca 0.02 0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.97 1dke h ASN 68 Cb 0.36 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 1dke h ASN 68 CO -0.09 0.44 -0.09 0.00 -1.29 0.00 0.00 177.43 176.40 1dke h ALA 69 N 1.57 0.56 -0.17 1.57 0.00 -0.47 -1.53 119.26 120.79 1dke h ALA 69 Ca 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dke h ALA 69 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dke h ALA 69 CO -0.16 0.42 0.11 0.28 0.00 0.00 0.00 179.25 179.90 1dke h VAL 70 N 0.59 1.06 0.00 0.00 2.07 0.63 -1.34 116.25 119.27 1dke h VAL 70 Ca 0.10 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1dke h VAL 70 Cb 0.61 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1dke h VAL 70 CO 0.04 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1dke n ALA 71 N -2.15 1.22 -2.44 1.67 0.00 -0.27 -2.11 120.51 116.42 1dke n ALA 71 Ca -0.04 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1dke n ALA 71 Cb 0.04 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.20 1dke n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dke n HIS 72 N -2.17 2.62 0.05 0.00 8.25 -0.59 -4.86 115.22 118.52 1dke n HIS 72 Ca -0.00 -2.75 0.08 0.00 -0.26 0.00 0.00 57.72 54.78 1dke n HIS 72 Cb 0.09 -0.21 0.51 0.00 1.12 0.00 0.00 29.99 31.50 1dke n HIS 72 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 1dke h VAL 73 N 2.86 1.00 0.00 1.59 -1.51 -0.79 -0.88 116.25 118.52 1dke h VAL 73 Ca 0.20 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1dke h VAL 73 Cb 1.15 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1dke h VAL 73 CO 0.70 0.06 0.00 0.47 -1.23 0.00 0.00 177.57 177.57 1dke n ASP 74 N -4.48 0.00 -2.72 4.19 8.00 -1.26 -4.17 116.55 116.10 1dke n ASP 74 Ca 0.04 0.27 -0.07 0.00 0.71 0.00 0.00 54.79 55.74 1dke n ASP 74 Cb 0.18 -0.38 0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1dke n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dke n ASP 75 N -1.38 -2.45 -0.02 -2.24 -0.08 -0.35 -5.02 116.55 105.01 1dke n ASP 75 Ca 0.05 -2.78 -0.05 0.00 -1.51 0.00 0.00 54.79 50.50 1dke n ASP 75 Cb 0.13 1.48 0.17 0.00 2.34 0.00 0.00 41.12 45.24 1dke n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1dke h MET 76 N 3.84 0.58 -0.69 -0.67 2.86 -1.70 -2.59 114.93 116.55 1dke h MET 76 Ca -0.15 -0.22 0.10 0.00 -2.06 0.00 0.00 59.70 57.36 1dke h MET 76 Cb 1.09 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.64 1dke h MET 76 CO 0.15 0.77 0.33 -1.35 1.06 0.00 0.00 176.91 177.86 1dke h PRO 77 N 0.51 0.54 -0.13 -0.22 0.11 -1.95 0.51 132.00 131.38 1dke h PRO 77 Ca 0.08 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 1dke h PRO 77 Cb 0.67 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1dke h PRO 77 CO 0.05 0.36 -0.35 -0.97 -0.21 0.00 0.00 178.00 176.88 1dke h ASN 78 N 0.56 0.54 -0.26 -2.05 -1.24 -1.97 -2.77 115.58 108.39 1dke h ASN 78 Ca 0.35 -0.59 0.06 0.00 0.71 0.00 0.00 56.30 56.83 1dke h ASN 78 Cb 0.38 -0.16 -0.07 0.00 0.73 0.00 0.00 38.32 39.21 1dke h ASN 78 CO -0.28 1.03 -0.20 0.00 -1.29 0.00 0.00 177.43 176.69 1dke h ALA 79 N 0.52 -0.04 -0.50 1.57 0.00 -0.86 -2.96 119.26 117.00 1dke h ALA 79 Ca -0.01 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1dke h ALA 79 Cb 0.96 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1dke h ALA 79 CO 0.08 -0.61 0.18 1.28 0.00 0.00 0.00 179.25 180.18 1dke n LEU 80 N -5.35 4.69 -0.19 0.00 4.77 0.17 -4.73 117.00 116.36 1dke n LEU 80 Ca -0.01 -2.43 -0.07 0.00 -0.03 0.00 0.00 56.01 53.47 1dke n LEU 80 Cb 0.27 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1dke n LEU 80 CO 0.16 0.65 0.85 0.77 -1.33 0.00 0.00 177.39 178.50 1dke h SER 81 N 1.79 0.97 -0.39 -1.43 4.64 -1.31 0.23 113.55 118.04 1dke h SER 81 Ca 0.18 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1dke h SER 81 Cb 1.80 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.61 1dke h SER 81 CO 0.50 1.01 0.05 0.00 -0.87 0.00 0.00 176.83 177.52 1dke h ALA 82 N 1.09 1.20 -0.40 5.18 0.00 -1.87 -2.19 119.26 122.28 1dke h ALA 82 Ca 0.17 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1dke h ALA 82 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1dke h ALA 82 CO 0.02 0.53 -0.34 1.25 0.00 0.00 0.00 179.25 180.72 1dke h LEU 83 N 0.71 0.99 -0.28 0.00 5.85 -1.82 -0.18 115.31 120.57 1dke h LEU 83 Ca 0.15 -0.45 -0.21 0.00 0.84 0.00 0.00 57.88 58.21 1dke h LEU 83 Cb 0.37 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1dke h LEU 83 CO 0.01 1.23 -0.83 0.77 -0.34 0.00 0.00 178.44 179.28 1dke h SER 84 N 0.76 0.53 -0.10 1.25 4.64 -0.38 -2.48 113.55 117.76 1dke h SER 84 Ca 0.07 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1dke h SER 84 Cb 0.93 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1dke h SER 84 CO 0.09 1.15 0.06 0.44 -0.87 0.00 0.00 176.83 177.70 1dke h ASP 85 N 0.27 0.13 -0.84 4.97 3.32 -1.37 0.14 116.42 123.04 1dke h ASP 85 Ca -0.05 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 56.98 1dke h ASP 85 Cb 1.44 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.89 1dke h ASP 85 CO 0.14 0.18 0.51 0.25 -1.72 0.00 0.00 179.24 178.60 1dke h LEU 86 N 0.07 0.77 -0.26 1.55 5.85 -1.02 0.17 115.31 122.45 1dke h LEU 86 Ca 0.04 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 1dke h LEU 86 Cb 0.08 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1dke h LEU 86 CO -0.01 0.48 -0.53 0.45 -0.34 0.00 0.00 178.44 178.49 1dke h HIS 87 N 0.90 1.03 -0.01 1.25 3.86 -1.24 -2.21 115.15 118.73 1dke h HIS 87 Ca 0.38 -0.38 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1dke h HIS 87 Cb 0.23 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1dke h HIS 87 CO -0.04 1.19 -0.62 0.00 0.86 0.00 0.00 177.93 179.32 1dke h ALA 88 N 0.65 0.96 0.00 2.45 0.00 -0.39 0.34 119.26 123.27 1dke h ALA 88 Ca 0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1dke h ALA 88 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1dke h ALA 88 CO 0.12 0.77 -1.96 0.72 0.00 0.00 0.00 179.25 178.89 1dke n HIS 89 N -3.82 0.00 0.00 0.00 8.25 0.58 -4.66 115.22 115.57 1dke n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1dke n HIS 89 Cb 0.62 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1dke n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1dke n LYS 90 N -2.31 0.00 0.11 -0.41 0.00 -0.86 -4.89 118.16 109.81 1dke n LYS 90 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.07 1dke n LYS 90 Cb 0.67 -0.11 -0.06 0.00 0.00 0.00 0.00 35.03 35.53 1dke n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1dke h LEU 91 N 0.00 -0.84 1.92 3.14 3.38 -1.64 -3.47 115.31 117.80 1dke h LEU 91 Ca 0.00 0.10 -0.37 0.00 0.09 0.00 0.00 57.88 57.70 1dke h LEU 91 Cb 0.00 0.32 0.01 0.00 0.09 0.00 0.00 40.66 41.08 1dke h LEU 91 CO 0.00 -0.38 -0.51 0.54 0.09 0.00 0.00 178.44 178.18 1dke n ARG 92 N -5.40 -2.74 -1.75 1.13 1.74 0.12 -4.95 116.66 104.81 1dke n ARG 92 Ca -0.07 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 1dke n ARG 92 Cb 0.31 -5.48 -0.02 0.00 -1.02 0.00 0.00 32.46 26.25 1dke n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dke s VAL 93 N -3.02 2.02 0.27 1.55 1.01 -1.26 -4.95 120.40 116.02 1dke s VAL 93 Ca 0.11 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1dke s VAL 93 Cb -0.05 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.22 1dke s VAL 93 CO 0.14 0.00 1.39 -0.62 0.00 0.00 0.00 175.10 176.01 1dke s ASP 94 N 0.70 6.70 0.46 3.32 2.15 -1.26 -4.91 116.67 123.83 1dke s ASP 94 Ca 0.67 2.66 0.25 0.00 0.43 0.00 0.00 52.55 56.56 1dke s ASP 94 Cb -0.49 -2.63 1.27 0.00 -0.30 0.00 0.00 42.92 40.77 1dke s ASP 94 CO 0.44 -0.64 1.81 -0.65 -0.17 0.00 0.00 175.17 175.95 1dke h PRO 95 N 4.50 0.23 -0.26 4.34 0.11 -2.01 -1.00 132.00 137.91 1dke h PRO 95 Ca -0.47 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1dke h PRO 95 Cb 1.22 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1dke h PRO 95 CO 0.73 0.15 0.18 -0.39 -0.21 0.00 0.00 178.00 178.47 1dke h VAL 96 N 0.23 0.91 0.00 3.15 -1.51 -2.04 -2.78 116.25 114.21 1dke h VAL 96 Ca 0.54 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.93 1dke h VAL 96 Cb 1.68 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1dke h VAL 96 CO -0.16 0.01 -0.26 0.78 -1.23 0.00 0.00 177.57 176.71 1dke h ASN 97 N 0.08 0.00 0.63 4.19 4.21 -1.55 -2.91 115.58 120.24 1dke h ASN 97 Ca 0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1dke h ASN 97 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1dke h ASN 97 CO -0.01 0.26 0.00 -0.26 -1.29 0.00 0.00 177.43 176.13 1dke h PHE 98 N 0.00 0.00 0.04 1.19 0.04 -1.67 -2.27 116.94 114.27 1dke h PHE 98 Ca -0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 1dke h PHE 98 Cb 0.49 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1dke h PHE 98 CO 0.00 0.00 -1.04 0.87 -0.60 0.00 0.00 178.31 177.54 1dke h LYS 99 N 0.00 0.14 -0.06 1.51 1.57 -1.69 -2.08 116.57 115.96 1dke h LYS 99 Ca 0.00 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1dke h LYS 99 Cb 0.32 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1dke h LYS 99 CO 0.00 1.05 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.69 1dke h LEU 100 N 0.05 0.25 -0.61 2.94 3.38 -1.58 -2.15 115.31 117.59 1dke h LEU 100 Ca -0.06 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.24 1dke h LEU 100 Cb 1.76 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1dke h LEU 100 CO 0.15 0.81 0.13 0.25 0.09 0.00 0.00 178.44 179.88 1dke h LEU 101 N -0.30 0.95 -0.43 1.67 5.85 -1.43 -2.82 115.31 118.80 1dke h LEU 101 Ca -0.00 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1dke h LEU 101 Cb 0.79 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1dke h LEU 101 CO 0.04 0.95 0.24 0.28 -0.34 0.00 0.00 178.44 179.61 1dke h SER 102 N 0.91 0.39 0.08 1.25 0.02 -1.40 -1.28 113.55 113.52 1dke h SER 102 Ca 0.19 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1dke h SER 102 Cb 0.38 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1dke h SER 102 CO 0.01 0.28 -0.16 -0.74 -1.14 0.00 0.00 176.83 175.07 1dke h HIS 103 N 0.49 -0.42 -0.37 3.45 -0.00 -1.35 -1.78 115.15 115.17 1dke h HIS 103 Ca 0.17 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1dke h HIS 103 Cb 0.03 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1dke h HIS 103 CO -0.08 -0.24 0.23 0.00 -0.00 0.00 0.00 177.93 177.85 1dke h LEU 105 N 0.50 0.95 -0.07 0.00 3.38 -0.79 -1.10 115.31 118.18 1dke h LEU 105 Ca 0.13 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1dke h LEU 105 Cb -0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1dke h LEU 105 CO -0.03 1.10 0.02 -0.07 0.09 0.00 0.00 178.44 179.56 1dke h LEU 106 N 0.79 0.11 -0.61 1.67 3.38 -0.62 0.27 115.31 120.29 1dke h LEU 106 Ca 0.12 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1dke h LEU 106 Cb 0.70 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1dke h LEU 106 CO 0.05 0.28 0.21 0.58 0.09 0.00 0.00 178.44 179.65 1dke h VAL 107 N -0.07 0.74 -0.68 1.22 2.07 -1.08 0.12 116.25 118.57 1dke h VAL 107 Ca 0.02 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1dke h VAL 107 Cb 0.21 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1dke h VAL 107 CO -0.00 0.07 0.18 0.74 0.02 0.00 0.00 177.57 178.58 1dke h THR 108 N 0.38 1.26 -0.56 2.57 2.02 -0.40 -2.20 112.91 115.98 1dke h THR 108 Ca 0.31 -0.92 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 1dke h THR 108 Cb 0.41 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1dke h THR 108 CO -0.33 0.35 -0.09 -0.07 0.37 0.00 0.00 175.52 175.76 1dke h LEU 109 N 1.00 1.04 -0.63 2.58 3.38 0.28 -2.50 115.31 120.47 1dke h LEU 109 Ca 0.21 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1dke h LEU 109 Cb 0.34 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1dke h LEU 109 CO -0.00 1.13 0.34 0.00 0.09 0.00 0.00 178.44 180.00 1dke h ALA 110 N 0.96 0.83 0.00 1.53 0.00 -0.61 -0.41 119.26 121.56 1dke h ALA 110 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1dke h ALA 110 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dke h ALA 110 CO 0.05 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1dke h ALA 111 N 1.33 1.00 0.00 0.00 0.00 -1.20 -3.31 119.26 117.09 1dke h ALA 111 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1dke h ALA 111 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1dke h ALA 111 CO -0.18 0.00 -1.41 0.72 0.00 0.00 0.00 179.25 178.38 1dke n HIS 112 N -2.70 0.00 -3.30 0.00 8.25 -0.71 -4.80 115.22 111.95 1dke n HIS 112 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1dke n HIS 112 Cb 0.29 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 1dke n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1dke n LEU 113 N -1.83 4.01 -0.10 2.41 4.77 -0.24 -4.97 117.00 121.03 1dke n LEU 113 Ca -0.01 -5.50 -0.08 0.00 -0.03 0.00 0.00 56.01 50.38 1dke n LEU 113 Cb 0.32 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1dke n LEU 113 CO 0.28 2.12 0.63 1.55 -1.33 0.00 0.00 177.39 180.63 1dke h PRO 114 N 3.94 -0.28 -0.37 3.23 0.13 -1.84 -0.96 132.00 135.84 1dke h PRO 114 Ca 0.19 0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.18 1dke h PRO 114 Cb 0.62 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1dke h PRO 114 CO 0.85 -0.19 -0.39 0.00 -0.23 0.00 0.00 178.00 178.04 1dke h ALA 115 N 0.65 0.61 0.00 -0.56 0.00 -1.95 -3.30 119.26 114.71 1dke h ALA 115 Ca 0.16 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1dke h ALA 115 Cb 0.55 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1dke h ALA 115 CO -0.52 0.68 -0.71 0.93 0.00 0.00 0.00 179.25 179.62 1dke h GLU 116 N 0.73 0.00 -3.34 0.00 3.07 -1.91 -3.40 114.58 109.73 1dke h GLU 116 Ca 0.06 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.22 1dke h GLU 116 Cb 0.97 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.85 1dke h GLU 116 CO 0.09 0.47 3.26 0.34 -1.40 0.00 0.00 179.01 181.77 1dke n PHE 117 N -3.15 2.87 -1.83 4.33 7.35 -0.39 -4.80 117.46 121.83 1dke n PHE 117 Ca -0.00 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.40 1dke n PHE 117 Cb 0.76 -2.38 0.14 0.00 0.35 0.00 0.00 39.48 38.34 1dke n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1dke s THR 118 N 1.94 1.98 0.12 -2.13 2.01 -1.26 -4.76 115.64 113.54 1dke s THR 118 Ca 0.57 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.33 1dke s THR 118 Cb 0.16 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 1dke s THR 118 CO -0.07 0.00 1.65 -0.65 -0.69 0.00 0.00 174.62 174.86 1dke h PRO 119 N -1.40 -0.32 -0.35 4.92 0.11 -1.99 -1.40 132.00 131.56 1dke h PRO 119 Ca -0.46 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1dke h PRO 119 Cb 1.29 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.46 1dke h PRO 119 CO 0.54 -0.22 -0.06 0.00 -0.21 0.00 0.00 178.00 178.04 1dke h ALA 120 N 0.56 1.23 -0.11 -0.75 0.00 -1.97 -2.03 119.26 116.18 1dke h ALA 120 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1dke h ALA 120 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1dke h ALA 120 CO -0.22 0.50 -0.05 0.28 0.00 0.00 0.00 179.25 179.77 1dke h VAL 121 N 0.55 1.31 -0.73 0.00 2.07 -1.82 -1.46 116.25 116.15 1dke h VAL 121 Ca 0.11 -1.05 0.10 0.00 0.82 0.00 0.00 66.70 66.68 1dke h VAL 121 Cb 0.45 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 1dke h VAL 121 CO 0.02 0.30 0.37 -0.74 0.02 0.00 0.00 177.57 177.54 1dke h HIS 122 N -0.12 0.66 -0.53 1.57 6.17 -1.13 -0.76 115.15 121.01 1dke h HIS 122 Ca 0.03 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.09 1dke h HIS 122 Cb 0.49 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.21 1dke h HIS 122 CO 0.06 0.23 0.17 0.00 0.71 0.00 0.00 177.93 179.10 1dke h ALA 123 N 1.45 0.69 -0.27 5.26 0.00 -1.16 -1.73 119.26 123.50 1dke h ALA 123 Ca 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1dke h ALA 123 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dke h ALA 123 CO -0.28 0.35 0.10 0.77 0.00 0.00 0.00 179.25 180.19 1dke h SER 124 N 0.73 0.38 -0.53 0.00 0.02 -0.09 -2.69 113.55 111.37 1dke h SER 124 Ca 0.17 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1dke h SER 124 Cb 0.27 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1dke h SER 124 CO -0.01 0.46 0.25 -0.07 -1.14 0.00 0.00 176.83 176.32 1dke h LEU 125 N 0.28 0.33 -0.19 5.07 3.38 -1.21 -0.43 115.31 122.54 1dke h LEU 125 Ca 0.09 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1dke h LEU 125 Cb 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1dke h LEU 125 CO -0.01 0.22 0.06 -0.78 0.09 0.00 0.00 178.44 178.02 1dke h ASP 126 N 0.47 0.05 -0.78 -0.43 3.58 -1.18 -0.95 116.42 117.18 1dke h ASP 126 Ca 0.24 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.77 1dke h ASP 126 Cb 0.19 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1dke h ASP 126 CO -0.20 0.06 0.48 0.11 -2.88 0.00 0.00 179.24 176.82 1dke h LYS 127 N 0.14 0.88 -0.33 0.28 1.57 -1.06 -2.57 116.57 115.48 1dke h LYS 127 Ca 0.08 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1dke h LYS 127 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1dke h LYS 127 CO -0.10 0.58 -0.30 0.35 -0.57 0.00 0.00 179.45 179.42 1dke h PHE 128 N 0.90 0.82 -0.03 -1.35 3.57 -0.62 -2.22 116.94 118.00 1dke h PHE 128 Ca 0.33 -0.21 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1dke h PHE 128 Cb 0.11 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1dke h PHE 128 CO -0.04 0.92 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.47 1dke h LEU 129 N 0.60 0.08 -0.25 0.59 3.38 -0.99 0.06 115.31 118.78 1dke h LEU 129 Ca 0.07 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1dke h LEU 129 Cb 0.81 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1dke h LEU 129 CO 0.07 0.49 -0.77 0.00 0.09 0.00 0.00 178.44 178.31 1dke h ALA 130 N 1.52 0.41 -0.03 1.53 0.00 -1.32 -0.83 119.26 120.54 1dke h ALA 130 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1dke h ALA 130 Cb 0.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1dke h ALA 130 CO 0.06 0.72 0.00 1.03 0.00 0.00 0.00 179.25 181.06 1dke h SER 131 N 0.44 0.04 -0.77 0.00 0.87 -0.98 0.04 113.55 113.20 1dke h SER 131 Ca -0.05 -0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.35 1dke h SER 131 Cb 1.38 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 63.26 1dke h SER 131 CO 0.15 0.29 0.42 0.58 -0.53 0.00 0.00 176.83 177.74 1dke h VAL 132 N -0.20 0.89 -0.29 2.23 2.07 -0.96 -1.14 116.25 118.85 1dke h VAL 132 Ca 0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1dke h VAL 132 Cb 0.26 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1dke h VAL 132 CO 0.00 0.13 0.06 0.28 0.02 0.00 0.00 177.57 178.06 1dke h SER 133 N 0.71 0.45 -0.81 0.57 0.02 -0.92 -1.47 113.55 112.10 1dke h SER 133 Ca 0.37 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1dke h SER 133 Cb 0.35 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 1dke h SER 133 CO -0.25 0.58 0.51 0.74 -1.14 0.00 0.00 176.83 177.27 1dke h THR 134 N 0.30 1.10 -0.39 -2.27 2.02 0.02 -2.09 112.91 111.61 1dke h THR 134 Ca 0.09 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1dke h THR 134 Cb 0.31 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1dke h THR 134 CO 0.00 0.18 0.20 0.58 0.37 0.00 0.00 175.52 176.85 1dke h VAL 135 N 0.99 1.16 -0.10 3.16 2.07 -1.01 -0.80 116.25 121.72 1dke h VAL 135 Ca 0.33 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1dke h VAL 135 Cb 0.05 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1dke h VAL 135 CO -0.13 0.17 0.07 -0.07 0.02 0.00 0.00 177.57 177.63 1dke h LEU 136 N 0.49 0.04 -2.54 2.57 3.38 -0.64 -2.18 115.31 116.43 1dke h LEU 136 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1dke h LEU 136 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dke h LEU 136 CO -0.02 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1dke n THR 137 N -4.52 0.75 0.31 0.22 -2.24 -0.84 -4.54 114.28 103.42 1dke n THR 137 Ca -0.01 -0.87 0.15 0.00 -2.27 0.00 0.00 64.05 61.05 1dke n THR 137 Cb 0.15 0.74 0.68 0.00 -2.10 0.00 0.00 70.33 69.80 1dke n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1dke h SER 138 N 4.09 0.00 -0.41 3.42 4.64 -0.47 -2.28 113.55 122.53 1dke h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dke h SER 138 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1dke h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1dke n LYS 139 N -2.61 3.69 -0.11 4.77 5.02 -1.26 -4.68 118.16 122.97 1dke n LYS 139 Ca 0.00 -2.91 0.01 0.00 -2.02 0.00 0.00 58.31 53.39 1dke n LYS 139 Cb 0.19 -1.96 0.30 0.00 -0.02 0.00 0.00 35.03 33.53 1dke n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1dke h TYR 140 N 2.81 0.75 0.00 2.13 0.99 -1.74 -3.46 116.97 118.45 1dke h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1dke h TYR 140 Cb 1.59 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 39.07 1dke h TYR 140 CO 0.71 0.53 0.00 2.89 -0.00 0.00 0.00 178.16 182.29