#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdk s LEU 2 N 0.00 3.55 0.54 7.52 1.43 -1.26 -4.93 118.68 125.52 1sdk s LEU 2 Ca 0.00 1.80 -0.14 0.00 -1.03 0.00 0.00 54.13 54.76 1sdk s LEU 2 Cb 0.00 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.64 1sdk s LEU 2 CO 0.00 -1.81 0.97 -0.94 0.23 0.00 0.00 176.35 174.80 1sdk s SER 3 N 7.34 6.48 0.46 2.29 1.04 -1.26 -4.82 113.70 125.23 1sdk s SER 3 Ca 0.94 1.46 0.17 0.00 0.48 0.00 0.00 55.95 58.99 1sdk s SER 3 Cb -0.31 -2.47 1.13 0.00 0.10 0.00 0.00 66.02 64.47 1sdk s SER 3 CO 0.35 -0.66 1.99 -0.65 0.98 0.00 0.00 173.24 175.25 1sdk h PRO 4 N 0.54 0.29 -0.53 4.02 0.11 -1.99 0.17 132.00 134.60 1sdk h PRO 4 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1sdk h PRO 4 Cb 1.19 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1sdk h PRO 4 CO 0.62 0.19 0.14 0.00 -0.21 0.00 0.00 178.00 178.74 1sdk h ALA 5 N 1.72 0.70 -0.42 -0.75 0.00 -1.99 -1.70 119.26 116.82 1sdk h ALA 5 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sdk h ALA 5 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1sdk h ALA 5 CO -0.06 0.38 0.19 -0.44 0.00 0.00 0.00 179.25 179.32 1sdk h ASP 6 N 0.74 0.56 -0.63 0.00 3.32 -1.11 -0.43 116.42 118.86 1sdk h ASP 6 Ca 0.17 -0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.20 1sdk h ASP 6 Cb 0.32 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 1sdk h ASP 6 CO -0.00 0.55 0.13 0.11 -1.72 0.00 0.00 179.24 178.31 1sdk h LYS 7 N 0.53 0.25 -0.33 3.56 1.57 -0.83 0.25 116.57 121.56 1sdk h LYS 7 Ca 0.14 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1sdk h LYS 7 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1sdk h LYS 7 CO -0.02 0.17 0.02 1.15 -0.57 0.00 0.00 179.45 180.20 1sdk h THR 8 N 0.26 1.25 -0.77 -0.16 2.02 -1.01 -1.08 112.91 113.41 1sdk h THR 8 Ca 0.34 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1sdk h THR 8 Cb 0.52 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 1sdk h THR 8 CO -0.43 0.30 0.50 0.78 0.37 0.00 0.00 175.52 177.04 1sdk h ASN 9 N 0.39 0.84 -0.51 4.18 -0.26 0.38 -0.63 115.58 119.97 1sdk h ASN 9 Ca 0.10 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1sdk h ASN 9 Cb 0.41 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1sdk h ASN 9 CO 0.01 0.60 0.16 0.58 -1.06 0.00 0.00 177.43 177.72 1sdk h VAL 10 N 1.00 1.23 -0.65 2.81 2.07 -0.39 -1.79 116.25 120.53 1sdk h VAL 10 Ca 0.30 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1sdk h VAL 10 Cb -0.05 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1sdk h VAL 10 CO -0.09 0.28 0.16 0.11 0.02 0.00 0.00 177.57 178.06 1sdk h LYS 11 N 0.69 1.03 -0.12 1.57 1.57 -0.73 -1.44 116.57 119.14 1sdk h LYS 11 Ca 0.16 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1sdk h LYS 11 Cb 0.27 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1sdk h LYS 11 CO -0.01 0.91 -0.08 0.00 -0.57 0.00 0.00 179.45 179.70 1sdk h ALA 12 N 1.19 0.17 -0.72 3.86 0.00 -0.91 -0.32 119.26 122.53 1sdk h ALA 12 Ca 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sdk h ALA 12 Cb 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1sdk h ALA 12 CO -0.00 -0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.65 1sdk h ALA 13 N 0.62 0.92 0.00 0.00 0.00 -1.31 -1.38 119.26 118.11 1sdk h ALA 13 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1sdk h ALA 13 Cb 0.57 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1sdk h ALA 13 CO 0.02 0.41 -0.17 2.35 0.00 0.00 0.00 179.25 181.86 1sdk h TRP 14 N 0.99 0.00 0.13 0.00 2.91 -1.18 -0.09 115.95 118.71 1sdk h TRP 14 Ca 0.26 0.00 -0.28 0.00 1.13 0.00 0.00 58.89 60.00 1sdk h TRP 14 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1sdk h TRP 14 CO -0.01 0.17 -1.25 0.78 -1.03 0.00 0.00 178.44 177.10 1sdk h GLY 15 N 1.30 0.34 2.00 2.65 0.00 -0.40 -2.52 103.07 106.43 1sdk h GLY 15 Ca -0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.43 1sdk h GLY 15 CO 0.02 0.75 -0.23 1.70 0.00 0.00 0.00 176.54 178.78 1sdk h LYS 16 N 0.08 0.00 0.29 4.80 3.11 0.02 -2.79 116.57 122.08 1sdk h LYS 16 Ca -0.14 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 1sdk h LYS 16 Cb 1.98 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.21 1sdk h LYS 16 CO 0.21 0.23 -0.14 0.28 -2.81 0.00 0.00 179.45 177.22 1sdk h VAL 17 N 0.00 0.75 0.00 2.00 2.07 -0.98 -3.45 116.25 116.63 1sdk h VAL 17 Ca -0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1sdk h VAL 17 Cb 0.60 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1sdk h VAL 17 CO 0.03 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1sdk n GLY 18 N -0.49 2.38 0.23 2.17 0.00 -0.97 -2.01 105.19 106.50 1sdk n GLY 18 Ca -0.10 0.38 0.08 0.00 0.00 0.00 0.00 46.02 46.38 1sdk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdk h ALA 19 N -0.43 1.44 -0.02 4.61 0.00 -1.88 -2.92 119.26 120.07 1sdk h ALA 19 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sdk h ALA 19 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sdk h ALA 19 CO 0.00 0.26 0.00 0.72 0.00 0.00 0.00 179.25 180.23 1sdk n HIS 20 N -3.97 0.02 -0.27 0.00 -0.00 -0.85 -4.16 115.22 105.99 1sdk n HIS 20 Ca -0.02 -0.01 0.08 0.00 -0.00 0.00 0.00 57.72 57.77 1sdk n HIS 20 Cb 0.29 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.50 1sdk n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sdk h ALA 21 N 3.63 1.04 -0.16 -1.41 0.00 -1.64 -1.15 119.26 119.57 1sdk h ALA 21 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1sdk h ALA 21 Cb 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1sdk h ALA 21 CO 0.00 -0.40 0.06 0.78 0.00 0.00 0.00 179.25 179.69 1sdk h GLY 22 N 0.22 0.27 0.94 0.00 0.00 -1.85 -0.17 103.07 102.48 1sdk h GLY 22 Ca 0.47 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.70 1sdk h GLY 22 CO -0.59 0.14 0.56 0.83 0.00 0.00 0.00 176.54 177.48 1sdk h GLU 23 N 0.09 0.96 0.00 4.80 5.08 -1.71 -1.75 114.58 122.04 1sdk h GLU 23 Ca 0.05 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1sdk h GLU 23 Cb 0.21 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sdk h GLU 23 CO -0.00 0.63 -0.86 1.88 -1.00 0.00 0.00 179.01 179.66 1sdk h TYR 24 N 0.99 0.23 -0.28 4.33 0.05 -0.83 -1.30 116.97 120.16 1sdk h TYR 24 Ca 0.36 -0.13 -0.13 0.00 0.05 0.00 0.00 58.73 58.89 1sdk h TYR 24 Cb 0.16 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1sdk h TYR 24 CO -0.00 0.94 -0.34 0.78 -1.05 0.00 0.00 178.16 178.49 1sdk h GLY 25 N 1.97 0.68 1.09 3.88 0.00 -0.54 -1.17 103.07 108.98 1sdk h GLY 25 Ca -0.04 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.53 1sdk h GLY 25 CO 0.13 0.58 -0.24 0.00 0.00 0.00 0.00 176.54 177.01 1sdk h ALA 26 N 1.10 0.63 -0.66 3.60 0.00 -1.23 -1.99 119.26 120.71 1sdk h ALA 26 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1sdk h ALA 26 Cb 0.84 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sdk h ALA 26 CO 0.07 0.63 0.10 1.49 0.00 0.00 0.00 179.25 181.54 1sdk h GLU 27 N 0.79 1.10 -0.15 0.00 4.81 -1.01 -0.90 114.58 119.22 1sdk h GLU 27 Ca 0.10 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 1sdk h GLU 27 Cb 0.82 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1sdk h GLU 27 CO 0.07 1.01 -0.38 0.00 -0.73 0.00 0.00 179.01 178.98 1sdk h ALA 28 N 1.07 1.07 -0.22 2.92 0.00 -0.90 -0.09 119.26 123.11 1sdk h ALA 28 Ca 0.20 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1sdk h ALA 28 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sdk h ALA 28 CO 0.01 0.59 -0.58 -0.07 0.00 0.00 0.00 179.25 179.21 1sdk h LEU 29 N 0.28 0.78 -0.84 0.00 3.38 -0.92 -1.94 115.31 116.05 1sdk h LEU 29 Ca 0.03 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 1sdk h LEU 29 Cb 0.80 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1sdk h LEU 29 CO 0.06 1.19 0.00 -0.08 0.09 0.00 0.00 178.44 179.71 1sdk h GLU 30 N 0.53 0.87 -0.65 1.13 4.81 -0.78 -0.74 114.58 119.75 1sdk h GLU 30 Ca 0.00 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1sdk h GLU 30 Cb 1.16 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1sdk h GLU 30 CO 0.12 0.87 0.31 0.00 -0.73 0.00 0.00 179.01 179.58 1sdk h ARG 31 N 0.81 0.93 -0.40 1.92 3.08 -0.89 -2.31 114.38 117.53 1sdk h ARG 31 Ca 0.15 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1sdk h ARG 31 Cb 0.48 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1sdk h ARG 31 CO 0.02 0.74 0.06 1.98 -1.07 0.00 0.00 179.97 181.71 1sdk h MET 32 N 0.89 0.66 -0.81 0.04 4.05 -0.93 0.14 114.93 118.98 1sdk h MET 32 Ca 0.22 -0.18 0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1sdk h MET 32 Cb 0.12 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 1sdk h MET 32 CO -0.03 0.71 0.51 0.74 0.23 0.00 0.00 176.91 179.07 1sdk h PHE 33 N 0.50 0.94 0.12 1.39 0.04 -0.90 0.11 116.94 119.14 1sdk h PHE 33 Ca 0.12 0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.63 1sdk h PHE 33 Cb 0.37 -0.31 0.03 0.00 2.20 0.00 0.00 35.95 38.24 1sdk h PHE 33 CO 0.03 0.52 -1.21 -0.07 -0.60 0.00 0.00 178.31 176.97 1sdk h LEU 34 N 0.96 0.86 -0.37 1.54 3.38 -1.37 -3.20 115.31 117.12 1sdk h LEU 34 Ca 0.33 -0.82 -0.17 0.00 0.09 0.00 0.00 57.88 57.31 1sdk h LEU 34 Cb 0.07 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1sdk h LEU 34 CO -0.14 1.60 -0.49 0.28 0.09 0.00 0.00 178.44 179.78 1sdk h SER 35 N 0.24 0.94 -2.79 -0.43 0.02 -0.81 -3.38 113.55 107.34 1sdk h SER 35 Ca -0.18 -0.48 -0.60 0.00 -0.84 0.00 0.00 61.79 59.69 1sdk h SER 35 Cb 1.89 -0.27 -0.40 0.00 0.14 0.00 0.00 62.40 63.76 1sdk h SER 35 CO 0.23 1.26 -0.79 -0.36 -1.14 0.00 0.00 176.83 176.04 1sdk s PHE 36 N -4.21 2.18 0.28 3.45 0.08 0.37 -4.98 117.98 115.16 1sdk s PHE 36 Ca -0.10 -2.74 0.36 0.00 0.12 0.00 0.00 56.93 54.57 1sdk s PHE 36 Cb 0.11 -1.74 1.87 0.00 -0.57 0.00 0.00 43.02 42.69 1sdk s PHE 36 CO 0.88 -0.71 2.08 -1.00 -0.10 0.00 0.00 175.22 176.38 1sdk h PRO 37 N 5.68 0.00 0.00 0.24 0.13 -1.73 -1.05 132.00 135.27 1sdk h PRO 37 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1sdk h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1sdk h PRO 37 CO 0.52 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.28 1sdk h THR 38 N 0.00 0.49 0.00 1.56 1.03 -1.91 -0.96 112.91 113.12 1sdk h THR 38 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1sdk h THR 38 Cb 0.07 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 1sdk h THR 38 CO 0.00 0.01 0.00 0.35 -0.01 0.00 0.00 175.52 175.87 1sdk n THR 39 N -3.77 0.65 0.23 0.00 -2.24 -0.40 -3.37 114.28 105.38 1sdk n THR 39 Ca -0.03 -0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.75 1sdk n THR 39 Cb 0.10 -0.80 0.53 0.00 -2.10 0.00 0.00 70.33 68.06 1sdk n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sdk h LYS 40 N 0.00 0.00 -0.47 -0.78 1.57 -1.36 -3.10 116.57 112.43 1sdk h LYS 40 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1sdk h LYS 40 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1sdk h LYS 40 CO 0.00 0.21 0.41 1.79 -0.57 0.00 0.00 179.45 181.29 1sdk h THR 41 N 0.00 0.54 0.00 -0.16 1.35 -1.75 -1.50 112.91 111.39 1sdk h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1sdk h THR 41 Cb 0.41 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1sdk h THR 41 CO 0.03 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.08 1sdk n TYR 42 N -4.03 0.05 -2.94 4.73 4.01 -1.17 -4.03 117.16 113.77 1sdk n TYR 42 Ca 0.09 0.01 -0.27 0.00 -0.16 0.00 0.00 57.90 57.57 1sdk n TYR 42 Cb 0.61 -0.52 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1sdk n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1sdk n PHE 43 N -1.54 3.95 -0.22 -0.72 3.01 -0.57 -4.92 117.46 116.45 1sdk n PHE 43 Ca 0.06 -3.99 -0.03 0.00 1.01 0.00 0.00 57.45 54.50 1sdk n PHE 43 Cb 0.28 -0.48 0.07 0.00 -0.01 0.00 0.00 39.48 39.34 1sdk n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1sdk h PRO 44 N 2.98 0.72 -0.05 -1.08 0.13 -1.75 -2.32 132.00 130.62 1sdk h PRO 44 Ca 0.13 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1sdk h PRO 44 Cb 0.52 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1sdk h PRO 44 CO 0.81 0.48 0.00 0.72 -0.23 0.00 0.00 178.00 179.78 1sdk n HIS 45 N -4.74 0.07 -3.58 1.56 8.25 -1.26 -4.90 115.22 110.63 1sdk n HIS 45 Ca 0.07 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1sdk n HIS 45 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 1sdk n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sdk s PHE 46 N -1.93 3.48 -0.31 4.41 0.40 -0.88 -5.05 117.98 118.10 1sdk s PHE 46 Ca 0.20 0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 56.75 1sdk s PHE 46 Cb 0.10 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1sdk s PHE 46 CO 0.16 0.30 0.64 0.34 0.70 0.00 0.00 175.22 177.36 1sdk s ASP 47 N -3.24 6.49 -0.15 1.36 -1.08 -1.26 -4.90 116.67 113.89 1sdk s ASP 47 Ca 0.40 0.38 0.16 0.00 -0.52 0.00 0.00 52.55 52.97 1sdk s ASP 47 Cb -0.11 -2.33 0.65 0.00 -1.46 0.00 0.00 42.92 39.67 1sdk s ASP 47 CO 0.30 -0.50 1.57 0.18 0.52 0.00 0.00 175.17 177.23 1sdk n LEU 48 N 5.92 4.58 -4.76 -1.34 4.77 -1.26 -4.39 117.00 120.52 1sdk n LEU 48 Ca -0.01 -2.67 -0.31 0.00 -0.03 0.00 0.00 56.01 52.99 1sdk n LEU 48 Cb 0.49 -0.56 0.09 0.00 -2.33 0.00 0.00 43.42 41.11 1sdk n LEU 48 CO 0.47 0.72 0.71 -0.94 -1.33 0.00 0.00 177.39 177.01 1sdk s SER 49 N -1.16 4.48 0.20 -1.43 1.04 -1.26 -4.92 113.70 110.64 1sdk s SER 49 Ca 0.47 1.88 -0.33 0.00 0.48 0.00 0.00 55.95 58.45 1sdk s SER 49 Cb 0.33 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.79 1sdk s SER 49 CO 0.17 -2.05 1.48 1.57 0.98 0.00 0.00 173.24 175.39 1sdk n HIS 50 N -3.41 2.19 -0.93 5.02 -0.00 -1.26 -1.61 115.22 115.22 1sdk n HIS 50 Ca 0.09 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.64 1sdk n HIS 50 Cb 0.53 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.90 1sdk n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sdk n GLY 51 N 2.76 0.95 3.61 1.57 0.00 -1.26 -5.00 105.19 107.82 1sdk n GLY 51 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 1sdk n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sdk n SER 52 N 0.00 1.89 0.21 1.61 2.88 -0.63 -4.84 113.62 114.74 1sdk n SER 52 Ca 0.00 1.13 0.05 0.00 -1.33 0.00 0.00 58.87 58.71 1sdk n SER 52 Cb 0.00 -1.27 0.47 0.00 -0.75 0.00 0.00 64.21 62.67 1sdk n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sdk h ALA 53 N 4.24 1.64 -0.32 -1.46 0.00 -1.90 -2.56 119.26 118.90 1sdk h ALA 53 Ca -0.45 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.21 1sdk h ALA 53 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1sdk h ALA 53 CO 0.76 0.27 -0.01 1.96 0.00 0.00 0.00 179.25 182.23 1sdk h GLN 54 N 0.01 0.58 -0.63 0.00 4.20 -1.88 -1.01 115.11 116.38 1sdk h GLN 54 Ca 0.00 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1sdk h GLN 54 Cb 0.37 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1sdk h GLN 54 CO 0.03 0.71 0.27 0.28 -0.67 0.00 0.00 178.83 179.45 1sdk h VAL 55 N 0.38 1.23 -0.60 -0.54 2.07 -1.73 0.71 116.25 117.77 1sdk h VAL 55 Ca 0.09 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1sdk h VAL 55 Cb 0.45 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1sdk h VAL 55 CO 0.02 0.27 0.38 0.11 0.02 0.00 0.00 177.57 178.37 1sdk h LYS 56 N 0.87 0.73 -0.44 1.57 1.57 -1.29 0.43 116.57 120.02 1sdk h LYS 56 Ca 0.21 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1sdk h LYS 56 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1sdk h LYS 56 CO -0.02 0.48 0.03 0.78 -0.57 0.00 0.00 179.45 180.15 1sdk h GLY 57 N 0.75 0.82 2.00 3.86 0.00 -0.68 -1.74 103.07 108.08 1sdk h GLY 57 Ca 0.23 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1sdk h GLY 57 CO -0.08 0.54 -0.37 0.84 0.00 0.00 0.00 176.54 177.47 1sdk h HIS 58 N 0.61 0.00 -0.51 5.60 -0.00 -0.14 -2.10 115.15 118.62 1sdk h HIS 58 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 1sdk h HIS 58 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.84 1sdk h HIS 58 CO 0.03 0.37 0.07 0.78 -0.00 0.00 0.00 177.93 179.19 1sdk h GLY 59 N 1.29 0.86 1.56 5.26 0.00 0.27 -0.92 103.07 111.39 1sdk h GLY 59 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1sdk h GLY 59 CO 0.05 0.49 -0.24 1.70 0.00 0.00 0.00 176.54 178.53 1sdk h LYS 60 N 0.76 0.51 -0.27 4.80 3.64 -0.67 -1.05 116.57 124.29 1sdk h LYS 60 Ca 0.16 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 1sdk h LYS 60 Cb 0.35 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1sdk h LYS 60 CO 0.01 0.72 -0.43 0.87 -2.27 0.00 0.00 179.45 178.34 1sdk h LYS 61 N 0.45 0.68 -0.08 1.90 1.57 -0.73 -1.14 116.57 119.22 1sdk h LYS 61 Ca 0.07 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1sdk h LYS 61 Cb 0.67 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1sdk h LYS 61 CO 0.05 0.98 0.05 0.28 -0.57 0.00 0.00 179.45 180.23 1sdk h VAL 62 N 0.55 1.08 -0.76 0.50 2.07 -1.04 -2.18 116.25 116.47 1sdk h VAL 62 Ca 0.04 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1sdk h VAL 62 Cb 0.97 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1sdk h VAL 62 CO 0.09 0.07 0.43 0.00 0.02 0.00 0.00 177.57 178.18 1sdk h ALA 63 N 0.95 1.05 -0.73 1.67 0.00 -1.07 -0.05 119.26 121.08 1sdk h ALA 63 Ca 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sdk h ALA 63 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1sdk h ALA 63 CO -0.00 0.08 0.35 -0.44 0.00 0.00 0.00 179.25 179.24 1sdk h ASP 64 N 0.75 0.96 -0.24 0.00 3.32 -1.00 0.47 116.42 120.67 1sdk h ASP 64 Ca 0.35 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1sdk h ASP 64 Cb 0.28 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1sdk h ASP 64 CO -0.22 0.82 -0.15 0.00 -1.72 0.00 0.00 179.24 177.97 1sdk h ALA 65 N 1.17 1.05 -0.28 3.45 0.00 -0.65 0.42 119.26 124.42 1sdk h ALA 65 Ca 0.25 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1sdk h ALA 65 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1sdk h ALA 65 CO -0.03 0.58 -0.35 -0.07 0.00 0.00 0.00 179.25 179.38 1sdk h LEU 66 N 0.60 0.63 -0.81 0.00 3.38 -0.05 0.20 115.31 119.27 1sdk h LEU 66 Ca 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1sdk h LEU 66 Cb 0.60 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1sdk h LEU 66 CO 0.04 0.93 0.38 0.74 0.09 0.00 0.00 178.44 180.62 1sdk h THR 67 N 0.51 1.25 -0.78 0.22 2.02 0.60 -0.97 112.91 115.76 1sdk h THR 67 Ca 0.05 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 1sdk h THR 67 Cb 0.84 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1sdk h THR 67 CO 0.07 0.31 0.37 -1.13 0.37 0.00 0.00 175.52 175.51 1sdk h ASN 68 N 1.15 1.00 -0.38 4.18 -0.73 -0.63 -1.99 115.58 118.17 1sdk h ASN 68 Ca 0.28 -0.11 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 1sdk h ASN 68 Cb 0.13 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.44 1sdk h ASN 68 CO -0.03 0.85 -0.04 0.00 -0.37 0.00 0.00 177.43 177.83 1sdk h ALA 69 N 1.31 1.05 -0.62 1.57 0.00 -0.08 -0.81 119.26 121.68 1sdk h ALA 69 Ca 0.27 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1sdk h ALA 69 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sdk h ALA 69 CO -0.03 0.59 0.03 0.28 0.00 0.00 0.00 179.25 180.12 1sdk h VAL 70 N 0.73 1.26 -0.11 0.00 2.07 -0.75 -1.50 116.25 117.96 1sdk h VAL 70 Ca 0.14 -1.10 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 1sdk h VAL 70 Cb 0.51 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sdk h VAL 70 CO 0.03 0.40 -0.22 0.00 0.02 0.00 0.00 177.57 177.80 1sdk h ALA 71 N 1.05 1.43 -0.99 1.67 0.00 -1.21 -2.84 119.26 118.36 1sdk h ALA 71 Ca 0.18 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 1sdk h ALA 71 Cb 0.51 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.81 1sdk h ALA 71 CO 0.02 0.40 -0.64 0.72 0.00 0.00 0.00 179.25 179.76 1sdk n HIS 72 N -4.20 2.97 -0.03 0.00 8.25 -0.33 -4.82 115.22 117.06 1sdk n HIS 72 Ca -0.01 -2.53 0.24 0.00 -0.26 0.00 0.00 57.72 55.16 1sdk n HIS 72 Cb 0.33 -0.36 0.71 0.00 1.12 0.00 0.00 29.99 31.78 1sdk n HIS 72 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sdk h VAL 73 N 2.21 0.37 0.00 1.59 2.07 -1.03 -0.30 116.25 121.16 1sdk h VAL 73 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1sdk h VAL 73 Cb 1.28 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1sdk h VAL 73 CO 0.86 0.00 -1.21 0.47 0.02 0.00 0.00 177.57 177.70 1sdk n ASP 74 N -3.80 0.58 -1.83 0.57 8.00 -1.26 -4.33 116.55 114.47 1sdk n ASP 74 Ca 0.13 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 1sdk n ASP 74 Cb 0.84 0.89 0.06 0.00 -0.02 0.00 0.00 41.12 42.89 1sdk n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1sdk n ASP 75 N -2.32 3.75 -0.14 -2.24 2.03 -0.21 -4.91 116.55 112.52 1sdk n ASP 75 Ca -0.00 -3.50 -0.04 0.00 0.52 0.00 0.00 54.79 51.77 1sdk n ASP 75 Cb 0.51 -0.39 0.03 0.00 -0.72 0.00 0.00 41.12 40.55 1sdk n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1sdk h MET 76 N 1.96 0.03 -0.99 -0.67 2.86 -1.51 0.66 114.93 117.26 1sdk h MET 76 Ca 0.21 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 1sdk h MET 76 Cb 1.42 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 33.00 1sdk h MET 76 CO 0.52 0.02 0.64 -1.35 1.06 0.00 0.00 176.91 177.80 1sdk h PRO 77 N 0.03 1.09 0.11 -0.22 0.11 -1.90 0.65 132.00 131.87 1sdk h PRO 77 Ca 0.22 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1sdk h PRO 77 Cb 0.33 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1sdk h PRO 77 CO -0.44 0.72 -0.05 -0.97 -0.21 0.00 0.00 178.00 177.05 1sdk h ASN 78 N 1.12 -0.12 -0.37 -2.05 -1.24 -1.38 -2.85 115.58 108.70 1sdk h ASN 78 Ca 0.44 -0.41 0.08 0.00 0.71 0.00 0.00 56.30 57.12 1sdk h ASN 78 Cb 0.23 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1sdk h ASN 78 CO -0.18 0.39 0.26 0.00 -1.29 0.00 0.00 177.43 176.60 1sdk h ALA 79 N 0.10 2.18 -0.46 1.57 0.00 0.15 -3.08 119.26 119.72 1sdk h ALA 79 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sdk h ALA 79 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1sdk h ALA 79 CO 0.02 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1sdk n LEU 80 N -4.46 3.32 -0.28 0.00 4.77 0.22 -4.74 117.00 115.83 1sdk n LEU 80 Ca 0.05 -2.06 0.04 0.00 -0.03 0.00 0.00 56.01 54.02 1sdk n LEU 80 Cb 0.36 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.29 1sdk n LEU 80 CO 0.35 0.80 1.10 0.77 -1.33 0.00 0.00 177.39 179.09 1sdk h SER 81 N 2.72 0.56 0.42 -1.43 4.64 -1.41 0.42 113.55 119.47 1sdk h SER 81 Ca 0.00 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1sdk h SER 81 Cb 0.86 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1sdk h SER 81 CO 0.02 0.29 -0.26 0.00 -0.87 0.00 0.00 176.83 176.01 1sdk h ALA 82 N 1.48 1.33 0.00 5.18 0.00 -1.86 -1.65 119.26 123.75 1sdk h ALA 82 Ca 0.40 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1sdk h ALA 82 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1sdk h ALA 82 CO -0.29 0.32 -0.74 1.25 0.00 0.00 0.00 179.25 179.79 1sdk h LEU 83 N 0.00 0.00 -0.40 0.00 5.85 -0.57 -2.34 115.31 117.85 1sdk h LEU 83 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1sdk h LEU 83 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1sdk h LEU 83 CO 0.03 0.74 -0.46 0.28 -0.34 0.00 0.00 178.44 178.70 1sdk h SER 84 N 0.00 0.91 -0.65 1.25 0.02 -0.55 -1.65 113.55 112.88 1sdk h SER 84 Ca -0.01 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1sdk h SER 84 Cb 1.32 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1sdk h SER 84 CO 0.10 1.23 0.38 -0.78 -1.14 0.00 0.00 176.83 176.61 1sdk h ASP 85 N 0.67 0.80 -0.33 3.07 3.58 -1.15 -1.26 116.42 121.79 1sdk h ASP 85 Ca 0.04 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1sdk h ASP 85 Cb 1.05 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1sdk h ASP 85 CO 0.10 0.64 0.16 0.25 -2.88 0.00 0.00 179.24 177.51 1sdk h LEU 86 N 0.89 0.44 0.19 2.28 5.85 -1.15 -0.82 115.31 123.00 1sdk h LEU 86 Ca 0.23 -0.13 -0.31 0.00 0.84 0.00 0.00 57.88 58.52 1sdk h LEU 86 Cb 0.00 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 40.94 1sdk h LEU 86 CO -0.04 0.45 -1.37 0.45 -0.34 0.00 0.00 178.44 177.59 1sdk h HIS 87 N 0.40 0.76 0.00 1.25 3.86 -1.08 0.87 115.15 121.22 1sdk h HIS 87 Ca 0.11 -0.55 -0.15 0.00 -1.16 0.00 0.00 60.37 58.62 1sdk h HIS 87 Cb 0.12 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1sdk h HIS 87 CO -0.02 1.43 -0.84 0.00 0.86 0.00 0.00 177.93 179.37 1sdk h ALA 88 N 0.36 0.17 0.07 2.45 0.00 -1.29 0.17 119.26 121.19 1sdk h ALA 88 Ca -0.20 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.76 1sdk h ALA 88 Cb 2.07 0.50 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1sdk h ALA 88 CO 0.24 0.48 -0.03 0.45 0.00 0.00 0.00 179.25 180.39 1sdk h HIS 89 N -1.00 -0.08 0.10 0.00 3.86 -1.27 -3.15 115.15 113.61 1sdk h HIS 89 Ca -0.23 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1sdk h HIS 89 Cb 1.16 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1sdk h HIS 89 CO 0.14 0.28 -0.05 -0.22 0.86 0.00 0.00 177.93 178.94 1sdk h LYS 90 N -0.99 -0.12 0.00 2.45 3.11 -1.41 -3.37 116.57 116.24 1sdk h LYS 90 Ca -0.01 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1sdk h LYS 90 Cb 0.39 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1sdk h LYS 90 CO 0.01 0.26 -0.28 -0.07 -2.81 0.00 0.00 179.45 176.56 1sdk h LEU 91 N -0.97 0.00 -1.59 5.20 3.38 -0.91 -3.48 115.31 116.93 1sdk h LEU 91 Ca -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1sdk h LEU 91 Cb 0.44 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.29 1sdk h LEU 91 CO 0.02 0.14 -0.79 0.54 0.09 0.00 0.00 178.44 178.44 1sdk n ARG 92 N -3.07 -5.90 -2.07 1.13 3.00 -0.22 -4.89 116.66 104.64 1sdk n ARG 92 Ca 0.03 0.73 -0.42 0.00 -0.01 0.00 0.00 57.85 58.17 1sdk n ARG 92 Cb 0.59 -5.54 -0.03 0.00 0.00 0.00 0.00 32.46 27.49 1sdk n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1sdk s VAL 93 N -3.49 3.46 0.16 1.55 1.01 0.44 -4.95 120.40 118.58 1sdk s VAL 93 Ca 0.10 0.79 -0.34 0.00 0.00 0.00 0.00 61.98 62.53 1sdk s VAL 93 Cb -0.05 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 1sdk s VAL 93 CO 0.77 -0.02 1.55 -0.67 0.00 0.00 0.00 175.10 176.73 1sdk n ASP 94 N 5.95 2.94 0.30 3.32 -0.08 -1.26 -4.84 116.55 122.88 1sdk n ASP 94 Ca 0.15 1.09 0.19 0.00 -1.51 0.00 0.00 54.79 54.71 1sdk n ASP 94 Cb 0.42 -1.41 1.00 0.00 2.34 0.00 0.00 41.12 43.48 1sdk n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sdk h PRO 95 N 5.70 0.00 0.00 -0.67 0.13 -2.00 -1.22 132.00 133.95 1sdk h PRO 95 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1sdk h PRO 95 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1sdk h PRO 95 CO 0.87 0.00 -0.10 -0.24 -0.23 0.00 0.00 178.00 178.30 1sdk h VAL 96 N 0.00 0.27 0.00 1.56 3.04 -2.02 -2.35 116.25 116.75 1sdk h VAL 96 Ca 0.02 -0.77 -0.07 0.00 -1.01 0.00 0.00 66.70 64.86 1sdk h VAL 96 Cb 0.26 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.14 1sdk h VAL 96 CO -0.00 0.10 -0.36 0.78 -1.01 0.00 0.00 177.57 177.08 1sdk h ASN 97 N 0.00 0.00 0.31 3.17 -0.26 -1.58 -2.27 115.58 114.95 1sdk h ASN 97 Ca -0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1sdk h ASN 97 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 1sdk h ASN 97 CO 0.01 0.36 -0.36 -0.26 -1.06 0.00 0.00 177.43 176.12 1sdk h PHE 98 N 0.00 0.09 -0.42 1.19 -1.00 -1.59 -2.09 116.94 113.12 1sdk h PHE 98 Ca -0.00 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.64 1sdk h PHE 98 Cb 0.77 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 1sdk h PHE 98 CO 0.00 0.43 -0.20 0.87 -1.61 0.00 0.00 178.31 177.80 1sdk h LYS 99 N 0.07 0.87 -0.20 1.51 1.57 -1.51 -0.68 116.57 118.19 1sdk h LYS 99 Ca 0.01 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1sdk h LYS 99 Cb 0.67 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1sdk h LYS 99 CO 0.05 1.02 0.10 -0.07 -0.57 0.00 0.00 179.45 179.99 1sdk h LEU 100 N 0.69 0.26 -0.79 2.94 3.38 -1.29 -0.86 115.31 119.64 1sdk h LEU 100 Ca 0.09 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1sdk h LEU 100 Cb 0.76 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1sdk h LEU 100 CO 0.06 0.30 -0.33 0.25 0.09 0.00 0.00 178.44 178.80 1sdk h LEU 101 N 0.21 0.55 -0.36 1.67 5.85 -1.37 -1.42 115.31 120.44 1sdk h LEU 101 Ca 0.07 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1sdk h LEU 101 Cb 0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1sdk h LEU 101 CO -0.01 0.84 0.13 0.28 -0.34 0.00 0.00 178.44 179.34 1sdk h SER 102 N 0.45 0.51 -0.05 1.25 0.02 -0.90 0.15 113.55 114.99 1sdk h SER 102 Ca 0.05 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1sdk h SER 102 Cb 0.80 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1sdk h SER 102 CO 0.07 0.56 0.03 -0.74 -1.14 0.00 0.00 176.83 175.61 1sdk h HIS 103 N 0.44 0.06 -0.68 3.45 -0.00 -1.04 -0.80 115.15 116.58 1sdk h HIS 103 Ca 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1sdk h HIS 103 Cb 0.22 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 1sdk h HIS 103 CO 0.00 0.08 0.45 0.00 -0.00 0.00 0.00 177.93 178.46 1sdk h LEU 105 N 0.86 0.89 -1.21 0.00 3.38 -0.16 -1.87 115.31 117.21 1sdk h LEU 105 Ca 0.26 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1sdk h LEU 105 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1sdk h LEU 105 CO -0.07 0.98 0.26 -0.07 0.09 0.00 0.00 178.44 179.63 1sdk h LEU 106 N 0.78 0.73 -0.60 1.67 3.38 -0.56 -0.72 115.31 119.99 1sdk h LEU 106 Ca 0.15 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1sdk h LEU 106 Cb 0.53 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1sdk h LEU 106 CO 0.03 0.64 -0.38 0.58 0.09 0.00 0.00 178.44 179.40 1sdk h VAL 107 N 0.81 1.29 -0.32 1.22 2.07 -1.12 -0.03 116.25 120.16 1sdk h VAL 107 Ca 0.20 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.07 1sdk h VAL 107 Cb 0.11 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1sdk h VAL 107 CO -0.02 0.50 -0.21 0.74 0.02 0.00 0.00 177.57 178.59 1sdk h THR 108 N 0.58 1.29 -0.34 2.57 2.02 -0.77 -1.67 112.91 116.59 1sdk h THR 108 Ca 0.05 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 1sdk h THR 108 Cb 0.90 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1sdk h THR 108 CO 0.08 0.44 -0.15 -0.07 0.37 0.00 0.00 175.52 176.19 1sdk h LEU 109 N 0.48 0.59 -0.74 2.58 3.38 -1.01 -2.28 115.31 118.31 1sdk h LEU 109 Ca 0.06 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1sdk h LEU 109 Cb 0.77 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1sdk h LEU 109 CO 0.06 0.76 0.15 0.00 0.09 0.00 0.00 178.44 179.50 1sdk h ALA 110 N 1.29 0.97 0.00 1.53 0.00 -0.75 0.59 119.26 122.89 1sdk h ALA 110 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1sdk h ALA 110 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1sdk h ALA 110 CO 0.04 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.69 1sdk h ALA 111 N 1.11 0.90 0.00 0.00 0.00 -1.14 -3.31 119.26 116.82 1sdk h ALA 111 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sdk h ALA 111 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sdk h ALA 111 CO 0.01 0.32 -1.62 0.72 0.00 0.00 0.00 179.25 178.68 1sdk n HIS 112 N -3.26 0.00 -3.14 0.00 8.25 -0.87 -4.73 115.22 111.47 1sdk n HIS 112 Ca 0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.26 1sdk n HIS 112 Cb 0.54 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 1sdk n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sdk n LEU 113 N -1.98 1.96 -0.12 2.41 4.77 0.16 -4.95 117.00 119.25 1sdk n LEU 113 Ca -0.02 -5.18 -0.05 0.00 -0.03 0.00 0.00 56.01 50.72 1sdk n LEU 113 Cb 0.41 0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1sdk n LEU 113 CO 0.35 2.26 0.92 1.55 -1.33 0.00 0.00 177.39 181.14 1sdk h PRO 114 N 3.23 0.24 0.00 3.23 0.14 -1.78 -0.19 132.00 136.87 1sdk h PRO 114 Ca 0.11 -0.01 -0.05 0.00 0.14 0.00 0.00 66.00 66.19 1sdk h PRO 114 Cb 0.81 -0.06 -0.01 0.00 0.14 0.00 0.00 31.00 31.88 1sdk h PRO 114 CO 0.61 0.16 -0.22 0.00 0.14 0.00 0.00 178.00 178.69 1sdk h ALA 115 N 1.28 1.41 0.00 -0.56 0.00 -1.93 -3.19 119.26 116.27 1sdk h ALA 115 Ca 0.19 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1sdk h ALA 115 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1sdk h ALA 115 CO -0.22 0.27 -1.48 0.93 0.00 0.00 0.00 179.25 178.76 1sdk h GLU 116 N 0.00 0.00 -3.92 0.00 3.07 -1.82 -3.40 114.58 108.50 1sdk h GLU 116 Ca -0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 1sdk h GLU 116 Cb 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1sdk h GLU 116 CO 0.03 0.37 3.05 0.34 -1.40 0.00 0.00 179.01 181.39 1sdk n PHE 117 N -2.95 2.94 -2.12 4.33 7.35 -0.14 -4.76 117.46 122.11 1sdk n PHE 117 Ca -0.11 -2.71 -0.27 0.00 -0.76 0.00 0.00 57.45 53.59 1sdk n PHE 117 Cb 0.91 -2.34 0.06 0.00 0.35 0.00 0.00 39.48 38.46 1sdk n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1sdk s THR 118 N 3.42 2.72 0.33 -2.13 -4.23 -1.26 -4.78 115.64 109.70 1sdk s THR 118 Ca 0.52 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1sdk s THR 118 Cb 0.14 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 71.12 1sdk s THR 118 CO -0.04 -0.21 1.84 -0.65 -0.54 0.00 0.00 174.62 175.02 1sdk h PRO 119 N -0.62 0.75 0.02 3.99 0.11 -1.99 0.93 132.00 135.19 1sdk h PRO 119 Ca -0.45 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1sdk h PRO 119 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1sdk h PRO 119 CO 0.62 0.50 -0.93 0.00 -0.21 0.00 0.00 178.00 177.98 1sdk h ALA 120 N 1.59 0.45 -0.27 -0.75 0.00 -1.96 -1.44 119.26 116.88 1sdk h ALA 120 Ca 0.49 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1sdk h ALA 120 Cb 0.72 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1sdk h ALA 120 CO -0.26 0.96 -0.43 0.28 0.00 0.00 0.00 179.25 179.80 1sdk h VAL 121 N 0.09 1.29 -0.29 0.00 2.07 -1.57 -1.67 116.25 116.17 1sdk h VAL 121 Ca -0.05 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1sdk h VAL 121 Cb 1.59 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1sdk h VAL 121 CO 0.14 0.52 0.19 -0.74 0.02 0.00 0.00 177.57 177.70 1sdk h HIS 122 N 0.55 0.37 -0.73 1.57 6.17 -0.70 0.22 115.15 122.60 1sdk h HIS 122 Ca 0.04 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.16 1sdk h HIS 122 Cb 0.97 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.73 1sdk h HIS 122 CO 0.05 0.24 0.46 0.00 0.71 0.00 0.00 177.93 179.38 1sdk h ALA 123 N 1.10 0.96 -0.41 5.26 0.00 -1.11 -0.27 119.26 124.79 1sdk h ALA 123 Ca 0.11 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1sdk h ALA 123 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1sdk h ALA 123 CO -0.02 0.23 -0.05 0.77 0.00 0.00 0.00 179.25 180.19 1sdk h SER 124 N 0.89 0.75 -0.73 0.00 0.02 -0.37 -2.46 113.55 111.64 1sdk h SER 124 Ca 0.30 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1sdk h SER 124 Cb 0.03 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1sdk h SER 124 CO -0.12 0.90 0.35 -0.07 -1.14 0.00 0.00 176.83 176.76 1sdk h LEU 125 N 0.57 0.95 -0.61 5.07 3.38 -0.22 -1.50 115.31 122.95 1sdk h LEU 125 Ca 0.11 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1sdk h LEU 125 Cb 0.55 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1sdk h LEU 125 CO 0.03 0.82 0.39 -0.78 0.09 0.00 0.00 178.44 178.99 1sdk h ASP 126 N 1.02 0.66 -0.62 -0.43 3.58 -0.96 -0.09 116.42 119.59 1sdk h ASP 126 Ca 0.25 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.62 1sdk h ASP 126 Cb 0.12 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1sdk h ASP 126 CO -0.03 0.47 0.12 0.11 -2.88 0.00 0.00 179.24 177.03 1sdk h LYS 127 N 0.79 1.01 -0.10 0.28 1.57 -1.17 -1.42 116.57 117.53 1sdk h LYS 127 Ca 0.23 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1sdk h LYS 127 Cb -0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1sdk h LYS 127 CO -0.07 0.93 0.05 0.35 -0.57 0.00 0.00 179.45 180.13 1sdk h PHE 128 N 0.92 0.15 0.00 -1.35 3.57 -1.02 -0.26 116.94 118.94 1sdk h PHE 128 Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1sdk h PHE 128 Cb 0.39 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1sdk h PHE 128 CO 0.03 0.23 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.02 1sdk h LEU 129 N 0.03 0.00 -0.40 0.59 3.38 -0.90 0.59 115.31 118.59 1sdk h LEU 129 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1sdk h LEU 129 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sdk h LEU 129 CO -0.00 0.24 -0.77 0.00 0.09 0.00 0.00 178.44 178.00 1sdk h ALA 130 N 1.76 0.62 -0.17 1.53 0.00 -1.02 -0.59 119.26 121.38 1sdk h ALA 130 Ca -0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 1sdk h ALA 130 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sdk h ALA 130 CO 0.03 0.82 -0.20 0.77 0.00 0.00 0.00 179.25 180.67 1sdk h SER 131 N 0.18 0.46 -0.79 0.00 0.02 -0.03 0.19 113.55 113.57 1sdk h SER 131 Ca -0.03 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1sdk h SER 131 Cb 1.35 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1sdk h SER 131 CO 0.12 0.87 0.52 0.58 -1.14 0.00 0.00 176.83 177.79 1sdk h VAL 132 N 0.06 1.18 -0.31 2.27 2.07 -0.74 -1.58 116.25 119.21 1sdk h VAL 132 Ca 0.02 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1sdk h VAL 132 Cb 0.75 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1sdk h VAL 132 CO 0.05 0.19 0.13 0.28 0.02 0.00 0.00 177.57 178.24 1sdk h SER 133 N 1.05 0.42 -0.55 0.57 0.02 -0.69 -0.97 113.55 113.40 1sdk h SER 133 Ca 0.30 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1sdk h SER 133 Cb -0.08 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 1sdk h SER 133 CO -0.07 0.47 0.22 0.74 -1.14 0.00 0.00 176.83 177.05 1sdk h THR 134 N 0.35 0.83 0.26 -2.27 2.02 -0.20 -1.49 112.91 112.42 1sdk h THR 134 Ca 0.10 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1sdk h THR 134 Cb 0.18 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1sdk h THR 134 CO -0.01 0.07 -0.13 0.58 0.37 0.00 0.00 175.52 176.41 1sdk h VAL 135 N 0.41 0.77 0.00 3.16 2.07 -0.74 -2.66 116.25 119.26 1sdk h VAL 135 Ca 0.26 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1sdk h VAL 135 Cb 0.28 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1sdk h VAL 135 CO -0.25 0.05 0.04 -0.07 0.02 0.00 0.00 177.57 177.36 1sdk h LEU 136 N -0.47 0.00 -3.03 2.57 3.38 -0.93 -1.48 115.31 115.35 1sdk h LEU 136 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sdk h LEU 136 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sdk h LEU 136 CO 0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.94 1sdk n THR 137 N -2.84 1.51 0.21 0.22 -2.24 -0.59 -4.23 114.28 106.33 1sdk n THR 137 Ca -0.02 -1.31 0.04 0.00 -2.27 0.00 0.00 64.05 60.49 1sdk n THR 137 Cb 0.10 0.21 0.45 0.00 -2.10 0.00 0.00 70.33 68.99 1sdk n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sdk h SER 138 N 2.20 0.00 0.07 3.42 4.64 -0.93 -0.52 113.55 122.44 1sdk h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sdk h SER 138 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1sdk h SER 138 CO 0.10 0.26 0.00 0.29 -0.87 0.00 0.00 176.83 176.61 1sdk n LYS 139 N -4.20 0.22 -0.00 4.77 4.76 -1.26 -1.22 118.16 121.23 1sdk n LYS 139 Ca -0.02 0.09 0.10 0.00 -2.87 0.00 0.00 58.31 55.60 1sdk n LYS 139 Cb 0.32 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.87 1sdk n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sdk n TYR 140 N -1.12 0.00 0.00 2.13 4.01 -0.20 -5.01 117.16 116.96 1sdk n TYR 140 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1sdk n TYR 140 Cb 0.05 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1sdk n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94