#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdk n LEU 2 N 0.00 -4.89 -4.84 1.34 4.32 -1.26 -5.02 117.00 106.64 1sdk n LEU 2 Ca 0.00 -0.39 -0.32 0.00 -0.02 0.00 0.00 56.01 55.28 1sdk n LEU 2 Cb 0.00 -2.53 -0.03 0.00 -1.62 0.00 0.00 43.42 39.24 1sdk n LEU 2 CO 0.00 -0.17 0.69 -0.55 -1.22 0.00 0.00 177.39 176.13 1sdk s SER 3 N -3.13 6.57 0.25 -1.43 0.15 -1.26 -4.95 113.70 109.90 1sdk s SER 3 Ca 0.24 1.56 -0.04 0.00 0.70 0.00 0.00 55.95 58.41 1sdk s SER 3 Cb -0.03 -2.51 0.50 0.00 -1.71 0.00 0.00 66.02 62.27 1sdk s SER 3 CO 0.54 -0.63 1.66 -0.65 1.20 0.00 0.00 173.24 175.37 1sdk h PRO 4 N 0.79 0.21 -0.14 5.44 0.11 -2.01 -2.30 132.00 134.10 1sdk h PRO 4 Ca -0.47 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1sdk h PRO 4 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1sdk h PRO 4 CO 0.61 0.14 -0.56 0.00 -0.21 0.00 0.00 178.00 177.98 1sdk h ALA 5 N 1.67 0.78 -0.36 -0.75 0.00 -2.00 -3.01 119.26 115.59 1sdk h ALA 5 Ca 0.44 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sdk h ALA 5 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1sdk h ALA 5 CO -0.58 0.70 0.17 -0.44 0.00 0.00 0.00 179.25 179.09 1sdk h ASP 6 N 0.32 0.48 -0.33 0.00 3.32 -1.83 -1.72 116.42 116.67 1sdk h ASP 6 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1sdk h ASP 6 Cb 1.08 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1sdk h ASP 6 CO 0.10 0.49 0.17 0.11 -1.72 0.00 0.00 179.24 178.39 1sdk h LYS 7 N 0.45 0.47 -0.75 3.56 1.57 -1.41 0.76 116.57 121.21 1sdk h LYS 7 Ca 0.12 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1sdk h LYS 7 Cb 0.14 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1sdk h LYS 7 CO -0.01 0.41 0.36 1.79 -0.57 0.00 0.00 179.45 181.43 1sdk h THR 8 N 0.41 1.24 -0.41 -0.16 1.35 -1.56 0.54 112.91 114.33 1sdk h THR 8 Ca 0.12 -0.68 -0.07 0.00 -0.55 0.00 0.00 66.41 65.22 1sdk h THR 8 Cb 0.09 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 1sdk h THR 8 CO -0.02 0.29 -0.02 0.78 -0.25 0.00 0.00 175.52 176.30 1sdk h ASN 9 N 1.06 0.72 0.10 5.36 -0.26 -0.64 0.89 115.58 122.81 1sdk h ASN 9 Ca 0.26 -0.32 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1sdk h ASN 9 Cb 0.12 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1sdk h ASN 9 CO -0.03 0.87 -0.05 0.58 -1.06 0.00 0.00 177.43 177.74 1sdk h VAL 10 N 0.56 1.10 -0.91 2.81 2.07 0.81 -2.22 116.25 120.47 1sdk h VAL 10 Ca 0.11 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1sdk h VAL 10 Cb 0.51 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1sdk h VAL 10 CO 0.03 0.19 0.60 0.11 0.02 0.00 0.00 177.57 178.52 1sdk h LYS 11 N -0.50 1.15 -0.11 1.57 1.57 0.14 -0.12 116.57 120.27 1sdk h LYS 11 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sdk h LYS 11 Cb 0.42 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1sdk h LYS 11 CO 0.02 0.76 0.07 0.00 -0.57 0.00 0.00 179.45 179.74 1sdk h ALA 12 N 1.36 0.14 -0.11 3.86 0.00 -0.79 -0.76 119.26 122.96 1sdk h ALA 12 Ca 0.35 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 1sdk h ALA 12 Cb -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sdk h ALA 12 CO -0.10 -0.36 -0.77 0.00 0.00 0.00 0.00 179.25 178.02 1sdk h ALA 13 N 1.03 0.45 -0.14 0.00 0.00 -1.00 -2.70 119.26 116.91 1sdk h ALA 13 Ca 0.04 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1sdk h ALA 13 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sdk h ALA 13 CO -0.01 0.73 -0.34 2.35 0.00 0.00 0.00 179.25 181.98 1sdk h TRP 14 N 0.39 0.31 -0.28 0.00 2.91 -1.00 -2.83 115.95 115.45 1sdk h TRP 14 Ca -0.04 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 59.96 1sdk h TRP 14 Cb 1.37 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 29.88 1sdk h TRP 14 CO 0.06 0.59 -0.12 0.78 -1.03 0.00 0.00 178.44 178.72 1sdk h GLY 15 N 1.11 0.12 1.86 2.65 0.00 -0.81 0.31 103.07 108.32 1sdk h GLY 15 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1sdk h GLY 15 CO 0.05 -0.14 0.00 0.28 0.00 0.00 0.00 176.54 176.73 1sdk n LYS 16 N -5.29 0.07 -0.02 4.80 4.76 -1.11 -1.23 118.16 120.14 1sdk n LYS 16 Ca -0.00 0.22 -0.17 0.00 -2.87 0.00 0.00 58.31 55.49 1sdk n LYS 16 Cb 0.21 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.82 1sdk n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1sdk h VAL 17 N 0.00 1.34 0.00 -0.18 2.07 -0.19 -3.45 116.25 115.83 1sdk h VAL 17 Ca 0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1sdk h VAL 17 Cb 0.21 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1sdk h VAL 17 CO 0.00 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1sdk n GLY 18 N 0.74 2.27 0.00 2.17 0.00 -0.37 -0.29 105.19 109.72 1sdk n GLY 18 Ca -0.08 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.34 1sdk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdk n ALA 19 N 9.87 2.52 1.01 4.61 0.00 -1.26 -3.11 120.51 134.14 1sdk n ALA 19 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1sdk n ALA 19 Cb 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1sdk n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sdk n HIS 20 N -0.56 0.00 -0.20 0.00 -0.00 0.61 -4.65 115.22 110.41 1sdk n HIS 20 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.72 1sdk n HIS 20 Cb 0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 29.96 1sdk n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sdk n ALA 21 N -1.31 -0.19 -0.16 -1.41 0.00 -1.18 0.42 120.51 116.68 1sdk n ALA 21 Ca 0.05 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1sdk n ALA 21 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 1sdk n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sdk h GLY 22 N 0.00 1.03 2.00 0.00 0.00 -1.83 -0.61 103.07 103.65 1sdk h GLY 22 Ca 0.13 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 1sdk h GLY 22 CO -0.49 0.79 -0.40 1.05 0.00 0.00 0.00 176.54 177.50 1sdk h GLU 23 N 0.80 0.00 -0.23 4.80 4.11 -0.36 -0.72 114.58 122.98 1sdk h GLU 23 Ca 0.12 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.40 1sdk h GLU 23 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1sdk h GLU 23 CO 0.05 0.40 -0.48 1.88 0.07 0.00 0.00 179.01 180.93 1sdk h TYR 24 N 0.00 0.76 -0.25 2.06 -1.99 -0.20 -1.67 116.97 115.68 1sdk h TYR 24 Ca -0.00 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 1sdk h TYR 24 Cb 0.82 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1sdk h TYR 24 CO 0.00 0.98 0.11 0.78 -0.00 0.00 0.00 178.16 180.03 1sdk h GLY 25 N 1.01 0.39 1.41 3.88 0.00 -0.65 0.24 103.07 109.34 1sdk h GLY 25 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1sdk h GLY 25 CO 0.09 0.19 -0.21 0.00 0.00 0.00 0.00 176.54 176.62 1sdk h ALA 26 N 0.96 0.97 -0.70 3.60 0.00 -1.01 -2.15 119.26 120.92 1sdk h ALA 26 Ca 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1sdk h ALA 26 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sdk h ALA 26 CO -0.01 0.60 0.17 1.49 0.00 0.00 0.00 179.25 181.50 1sdk h GLU 27 N 0.61 1.12 -0.82 0.00 4.81 -0.30 -2.28 114.58 117.72 1sdk h GLU 27 Ca 0.09 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1sdk h GLU 27 Cb 0.68 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 1sdk h GLU 27 CO 0.05 0.99 0.52 0.00 -0.73 0.00 0.00 179.01 179.84 1sdk h ALA 28 N 1.11 1.09 -0.36 2.92 0.00 -0.28 0.24 119.26 123.98 1sdk h ALA 28 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sdk h ALA 28 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1sdk h ALA 28 CO 0.00 0.31 0.12 -0.07 0.00 0.00 0.00 179.25 179.61 1sdk h LEU 29 N 0.99 0.52 -0.45 0.00 3.38 -1.04 -0.84 115.31 117.88 1sdk h LEU 29 Ca 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sdk h LEU 29 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sdk h LEU 29 CO -0.13 0.58 0.11 -0.08 0.09 0.00 0.00 178.44 179.01 1sdk h GLU 30 N 0.44 0.71 -0.36 1.13 4.81 -0.98 0.90 114.58 121.23 1sdk h GLU 30 Ca 0.12 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1sdk h GLU 30 Cb 0.24 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1sdk h GLU 30 CO -0.00 0.71 0.11 0.00 -0.73 0.00 0.00 179.01 179.09 1sdk h ARG 31 N 0.59 0.24 -0.54 1.92 3.08 -0.84 -1.07 114.38 117.76 1sdk h ARG 31 Ca 0.14 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1sdk h ARG 31 Cb 0.31 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1sdk h ARG 31 CO 0.00 0.16 0.33 1.98 -1.07 0.00 0.00 179.97 181.37 1sdk h MET 32 N 0.24 0.65 -0.66 0.04 4.05 -0.47 -1.39 114.93 117.40 1sdk h MET 32 Ca 0.17 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1sdk h MET 32 Cb 0.16 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1sdk h MET 32 CO -0.19 0.43 0.24 0.74 0.23 0.00 0.00 176.91 178.36 1sdk h PHE 33 N 0.67 1.02 -0.14 1.39 0.04 -0.32 0.57 116.94 120.16 1sdk h PHE 33 Ca 0.21 -0.09 -0.21 0.00 2.80 0.00 0.00 57.97 60.68 1sdk h PHE 33 Cb -0.00 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 37.85 1sdk h PHE 33 CO -0.06 0.81 -0.76 -0.07 -0.60 0.00 0.00 178.31 177.63 1sdk h LEU 34 N 0.93 0.85 0.08 1.54 3.38 -1.06 -3.21 115.31 117.82 1sdk h LEU 34 Ca 0.22 -0.55 -0.28 0.00 0.09 0.00 0.00 57.88 57.36 1sdk h LEU 34 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1sdk h LEU 34 CO -0.01 1.34 -1.38 0.28 0.09 0.00 0.00 178.44 178.76 1sdk h SER 35 N 0.49 0.25 -2.44 -0.43 0.02 -1.18 -3.39 113.55 106.87 1sdk h SER 35 Ca -0.05 -0.33 -0.60 0.00 -0.84 0.00 0.00 61.79 59.98 1sdk h SER 35 Cb 1.38 -0.08 -0.41 0.00 0.14 0.00 0.00 62.40 63.43 1sdk h SER 35 CO 0.15 1.27 -0.75 0.49 -1.14 0.00 0.00 176.83 176.85 1sdk n PHE 36 N -3.39 1.97 0.30 3.45 3.72 0.19 -4.97 117.46 118.73 1sdk n PHE 36 Ca -0.11 -3.94 0.13 0.00 -0.05 0.00 0.00 57.45 53.48 1sdk n PHE 36 Cb 1.02 -0.40 0.71 0.00 -0.94 0.00 0.00 39.48 39.87 1sdk n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sdk h PRO 37 N 4.73 0.00 0.00 -1.08 0.11 -1.74 0.19 132.00 134.21 1sdk h PRO 37 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1sdk h PRO 37 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1sdk h PRO 37 CO 0.65 0.00 -0.10 1.79 -0.21 0.00 0.00 178.00 180.14 1sdk h THR 38 N 0.00 0.43 0.00 -1.15 1.35 -1.91 -1.97 112.91 109.65 1sdk h THR 38 Ca 0.00 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1sdk h THR 38 Cb 0.68 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1sdk h THR 38 CO 0.00 0.09 -0.04 0.71 -0.25 0.00 0.00 175.52 176.04 1sdk h THR 39 N 0.00 0.12 0.00 6.82 1.35 -0.94 -2.75 112.91 117.50 1sdk h THR 39 Ca -0.00 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1sdk h THR 39 Cb 0.33 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1sdk h THR 39 CO 0.01 0.04 -0.02 0.11 -0.25 0.00 0.00 175.52 175.41 1sdk h LYS 40 N 0.00 0.00 -0.02 4.72 1.57 -1.54 -2.86 116.57 118.45 1sdk h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sdk h LYS 40 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1sdk h LYS 40 CO 0.00 0.02 0.04 0.00 -0.57 0.00 0.00 179.45 178.95 1sdk h THR 41 N 0.00 0.20 0.00 -0.16 1.03 -1.67 -1.79 112.91 110.52 1sdk h THR 41 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1sdk h THR 41 Cb 0.31 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.35 1sdk h THR 41 CO 0.00 0.00 0.00 -1.22 -0.01 0.00 0.00 175.52 174.29 1sdk n TYR 42 N -3.37 0.00 -2.40 0.00 4.01 -1.08 -3.93 117.16 110.39 1sdk n TYR 42 Ca -0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1sdk n TYR 42 Cb 0.12 -0.44 0.01 0.00 -0.31 0.00 0.00 39.34 38.72 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 -1.44 2.79 -0.26 -0.72 3.01 -0.67 -4.85 117.46 115.31 1sdk n PHE 43 Ca 0.09 -2.77 0.18 0.00 1.01 0.00 0.00 57.45 55.97 1sdk n PHE 43 Cb 0.31 -0.20 0.49 0.00 -0.01 0.00 0.00 39.48 40.07 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 2.53 0.44 -0.07 -1.08 0.13 -1.70 -1.80 132.00 130.46 1sdk h PRO 44 Ca 0.24 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1sdk h PRO 44 Cb 1.15 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1sdk h PRO 44 CO 0.73 0.29 0.00 -2.39 -0.23 0.00 0.00 178.00 176.41 1sdk n HIS 45 N -4.54 0.09 -4.23 1.56 1.44 -1.26 -4.88 115.22 103.40 1sdk n HIS 45 Ca 0.20 -0.05 -0.26 0.00 -2.01 0.00 0.00 57.72 55.61 1sdk n HIS 45 Cb 0.68 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.72 1sdk n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1sdk s PHE 46 N -1.91 2.80 -0.37 -1.40 0.40 -0.68 -5.07 117.98 111.75 1sdk s PHE 46 Ca 0.12 -0.16 -0.19 0.00 -0.60 0.00 0.00 56.93 56.10 1sdk s PHE 46 Cb 0.06 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.26 1sdk s PHE 46 CO 0.09 0.53 0.54 0.34 0.70 0.00 0.00 175.22 177.42 1sdk s ASP 47 N -3.08 6.32 -0.28 1.36 2.15 -1.26 -4.93 116.67 116.95 1sdk s ASP 47 Ca 0.28 -0.11 0.12 0.00 0.43 0.00 0.00 52.55 53.27 1sdk s ASP 47 Cb -0.09 -2.28 0.79 0.00 -0.30 0.00 0.00 42.92 41.05 1sdk s ASP 47 CO 0.18 -0.55 1.79 0.18 -0.17 0.00 0.00 175.17 176.61 1sdk n LEU 48 N 5.84 5.96 -4.83 -1.34 4.77 -1.26 -4.50 117.00 121.64 1sdk n LEU 48 Ca -0.04 -3.06 -0.32 0.00 -0.03 0.00 0.00 56.01 52.55 1sdk n LEU 48 Cb 0.49 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1sdk n LEU 48 CO 0.47 0.71 0.69 -0.94 -1.33 0.00 0.00 177.39 176.99 1sdk s SER 49 N -0.88 6.41 0.82 -1.43 1.04 -1.26 -4.94 113.70 113.46 1sdk s SER 49 Ca 0.55 1.65 -0.14 0.00 0.48 0.00 0.00 55.95 58.48 1sdk s SER 49 Cb 0.43 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 64.04 1sdk s SER 49 CO 0.15 -0.74 0.61 1.57 0.98 0.00 0.00 173.24 175.82 1sdk n HIS 50 N -1.65 -0.64 0.00 5.02 -0.00 -1.26 -1.20 115.22 115.48 1sdk n HIS 50 Ca 0.07 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.57 1sdk n HIS 50 Cb 0.54 -1.91 0.00 0.00 -0.12 0.00 0.00 29.99 28.50 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 1.39 1.65 0.00 1.57 0.00 -1.26 -4.96 105.19 103.58 1sdk n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.41 0.00 0.06 1.61 2.88 -0.34 -4.77 113.62 114.46 1sdk n SER 52 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1sdk n SER 52 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 0.00 0.21 -0.67 -1.46 0.00 -1.89 -1.58 119.26 113.87 1sdk h ALA 53 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1sdk h ALA 53 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1sdk h ALA 53 CO 0.00 0.74 0.45 1.96 0.00 0.00 0.00 179.25 182.40 1sdk h GLN 54 N 0.32 0.84 -0.00 0.00 4.20 -1.89 0.37 115.11 118.94 1sdk h GLN 54 Ca -0.11 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.37 1sdk h GLN 54 Cb 1.67 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.24 1sdk h GLN 54 CO 0.19 0.55 -0.81 0.28 -0.67 0.00 0.00 178.83 178.38 1sdk h VAL 55 N 0.86 1.55 -0.49 -0.54 2.07 -1.74 -0.79 116.25 117.19 1sdk h VAL 55 Ca 0.26 -2.69 -0.11 0.00 0.82 0.00 0.00 66.70 64.98 1sdk h VAL 55 Cb -0.02 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1sdk h VAL 55 CO -0.06 0.77 -0.14 0.50 0.02 0.00 0.00 177.57 178.66 1sdk h LYS 56 N 0.02 0.95 -0.45 1.57 3.64 -0.42 -0.20 116.57 121.68 1sdk h LYS 56 Ca -0.01 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1sdk h LYS 56 Cb 1.42 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1sdk h LYS 56 CO 0.11 1.04 0.00 0.78 -2.27 0.00 0.00 179.45 179.11 1sdk h GLY 57 N 0.80 0.86 1.28 5.01 0.00 -0.17 -2.40 103.07 108.46 1sdk h GLY 57 Ca 0.12 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1sdk h GLY 57 CO 0.05 0.58 0.03 0.84 0.00 0.00 0.00 176.54 178.04 1sdk h HIS 58 N 0.65 0.93 -0.70 5.60 -0.00 -1.01 -2.53 115.15 118.08 1sdk h HIS 58 Ca 0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1sdk h HIS 58 Cb 0.49 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1sdk h HIS 58 CO 0.04 0.83 0.45 0.78 -0.00 0.00 0.00 177.93 180.03 1sdk h GLY 59 N 0.99 1.00 1.01 5.26 0.00 -0.89 0.11 103.07 110.55 1sdk h GLY 59 Ca 0.16 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1sdk h GLY 59 CO 0.02 0.38 0.43 1.70 0.00 0.00 0.00 176.54 179.07 1sdk h LYS 60 N 0.96 1.09 -0.60 4.80 3.64 -1.03 0.12 116.57 125.55 1sdk h LYS 60 Ca 0.26 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1sdk h LYS 60 Cb -0.08 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1sdk h LYS 60 CO -0.05 0.81 0.26 0.87 -2.27 0.00 0.00 179.45 179.07 1sdk h LYS 61 N 1.09 0.88 -0.56 1.90 1.57 -0.96 0.19 116.57 120.68 1sdk h LYS 61 Ca 0.28 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1sdk h LYS 61 Cb 0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1sdk h LYS 61 CO -0.04 0.73 0.27 0.28 -0.57 0.00 0.00 179.45 180.12 1sdk h VAL 62 N 0.82 1.20 -0.49 0.50 2.07 0.18 -1.46 116.25 119.07 1sdk h VAL 62 Ca 0.20 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1sdk h VAL 62 Cb 0.16 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1sdk h VAL 62 CO -0.02 0.23 0.03 0.00 0.02 0.00 0.00 177.57 177.83 1sdk h ALA 63 N 1.11 1.13 -0.20 1.67 0.00 -0.57 -2.19 119.26 120.20 1sdk h ALA 63 Ca 0.19 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1sdk h ALA 63 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1sdk h ALA 63 CO -0.02 0.56 -0.48 -0.44 0.00 0.00 0.00 179.25 178.87 1sdk h ASP 64 N 0.75 0.57 -0.38 0.00 3.32 0.06 -1.63 116.42 119.11 1sdk h ASP 64 Ca 0.15 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1sdk h ASP 64 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1sdk h ASP 64 CO 0.01 0.96 0.12 0.00 -1.72 0.00 0.00 179.24 178.61 1sdk h ALA 65 N 1.06 1.37 -0.24 3.45 0.00 -0.73 -2.60 119.26 121.58 1sdk h ALA 65 Ca 0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1sdk h ALA 65 Cb 1.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sdk h ALA 65 CO 0.09 0.45 -0.52 -0.07 0.00 0.00 0.00 179.25 179.20 1sdk h LEU 66 N 0.65 0.75 -0.87 0.00 3.38 -1.12 -1.12 115.31 116.98 1sdk h LEU 66 Ca 0.15 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1sdk h LEU 66 Cb 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1sdk h LEU 66 CO -0.01 1.13 0.54 0.74 0.09 0.00 0.00 178.44 180.93 1sdk h THR 67 N 0.53 1.24 -0.16 0.22 2.02 -1.06 0.02 112.91 115.71 1sdk h THR 67 Ca 0.02 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1sdk h THR 67 Cb 1.09 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1sdk h THR 67 CO 0.11 0.25 0.05 -1.13 0.37 0.00 0.00 175.52 175.16 1sdk h ASN 68 N 1.19 0.24 -0.91 4.18 -1.24 -1.35 -0.07 115.58 117.62 1sdk h ASN 68 Ca 0.31 -0.21 0.09 0.00 0.71 0.00 0.00 56.30 57.21 1sdk h ASN 68 Cb -0.07 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 38.85 1sdk h ASN 68 CO -0.06 0.38 0.56 0.00 -1.29 0.00 0.00 177.43 177.02 1sdk h ALA 69 N 0.86 1.31 -0.26 1.57 0.00 -0.72 0.14 119.26 122.16 1sdk h ALA 69 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1sdk h ALA 69 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sdk h ALA 69 CO -0.00 0.22 -0.06 0.28 0.00 0.00 0.00 179.25 179.68 1sdk h VAL 70 N 0.94 1.28 0.00 0.00 2.07 -0.73 0.38 116.25 120.19 1sdk h VAL 70 Ca 0.43 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1sdk h VAL 70 Cb 0.34 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1sdk h VAL 70 CO -0.23 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1sdk h ALA 71 N 0.77 1.00 -0.13 1.67 0.00 -0.60 -2.38 119.26 119.58 1sdk h ALA 71 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1sdk h ALA 71 Cb 0.53 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.07 1sdk h ALA 71 CO 0.03 -0.00 -0.82 0.72 0.00 0.00 0.00 179.25 179.17 1sdk n HIS 72 N -2.71 0.45 -0.42 0.00 8.25 0.47 -4.90 115.22 116.37 1sdk n HIS 72 Ca -0.02 -1.26 0.35 0.00 -0.26 0.00 0.00 57.72 56.53 1sdk n HIS 72 Cb 0.06 -0.22 0.67 0.00 1.12 0.00 0.00 29.99 31.62 1sdk n HIS 72 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 1sdk h VAL 73 N 4.07 0.29 -0.00 1.59 -1.51 0.23 0.54 116.25 121.45 1sdk h VAL 73 Ca -0.07 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1sdk h VAL 73 Cb 1.45 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1sdk h VAL 73 CO 0.15 0.02 -0.07 0.47 -1.23 0.00 0.00 177.57 176.91 1sdk n ASP 74 N -4.42 0.24 -2.72 4.19 8.00 -1.26 -3.94 116.55 116.63 1sdk n ASP 74 Ca 0.32 -0.36 -0.06 0.00 0.71 0.00 0.00 54.79 55.40 1sdk n ASP 74 Cb 1.32 -0.17 0.04 0.00 -0.02 0.00 0.00 41.12 42.30 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 -1.13 1.39 -0.08 -2.24 2.03 0.19 -4.96 116.55 111.75 1sdk n ASP 75 Ca 0.14 -2.46 -0.08 0.00 0.52 0.00 0.00 54.79 52.91 1sdk n ASP 75 Cb 0.26 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.19 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 2.82 0.26 -0.90 -0.67 2.86 -1.61 -0.76 114.93 116.93 1sdk h MET 76 Ca -0.12 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.63 1sdk h MET 76 Cb 1.21 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.73 1sdk h MET 76 CO 0.37 0.17 0.52 -1.35 1.06 0.00 0.00 176.91 177.67 1sdk h PRO 77 N 0.26 0.76 0.22 -0.22 0.11 -1.93 0.73 132.00 131.94 1sdk h PRO 77 Ca 0.13 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1sdk h PRO 77 Cb 0.07 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1sdk h PRO 77 CO -0.11 0.50 -0.11 -0.97 -0.21 0.00 0.00 178.00 177.10 1sdk h ASN 78 N 0.78 -0.26 -0.55 -2.05 -0.73 -1.89 -1.35 115.58 109.53 1sdk h ASN 78 Ca 0.47 -0.27 0.12 0.00 1.87 0.00 0.00 56.30 58.48 1sdk h ASN 78 Cb 0.56 0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 1sdk h ASN 78 CO -0.31 0.22 0.38 0.00 -0.37 0.00 0.00 177.43 177.35 1sdk h ALA 79 N -0.29 2.21 -0.51 1.57 0.00 -0.08 -2.69 119.26 119.47 1sdk h ALA 79 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sdk h ALA 79 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sdk h ALA 79 CO 0.05 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1sdk n LEU 80 N -4.44 3.48 -0.37 0.00 4.77 0.24 -4.73 117.00 115.96 1sdk n LEU 80 Ca 0.09 -2.08 0.03 0.00 -0.03 0.00 0.00 56.01 54.03 1sdk n LEU 80 Cb 0.46 -0.36 0.18 0.00 -2.33 0.00 0.00 43.42 41.37 1sdk n LEU 80 CO 0.35 0.83 1.26 0.77 -1.33 0.00 0.00 177.39 179.27 1sdk h SER 81 N 2.98 1.03 -0.72 -1.43 4.64 -0.89 -0.69 113.55 118.47 1sdk h SER 81 Ca 0.00 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 1sdk h SER 81 Cb 0.91 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 1sdk h SER 81 CO 0.03 0.64 0.21 0.00 -0.87 0.00 0.00 176.83 176.84 1sdk h ALA 82 N 1.46 1.01 0.00 5.18 0.00 -1.84 -1.44 119.26 123.63 1sdk h ALA 82 Ca 0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1sdk h ALA 82 Cb 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1sdk h ALA 82 CO -0.18 0.66 -0.18 -0.07 0.00 0.00 0.00 179.25 179.48 1sdk h LEU 83 N 1.08 0.00 -0.15 0.00 3.38 -1.67 -1.84 115.31 116.11 1sdk h LEU 83 Ca 0.23 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.97 1sdk h LEU 83 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1sdk h LEU 83 CO -0.01 0.18 -0.97 -1.28 0.09 0.00 0.00 178.44 176.45 1sdk h SER 84 N 0.00 0.51 -0.44 -0.43 0.87 -0.32 -1.49 113.55 112.25 1sdk h SER 84 Ca -0.00 -0.42 -0.12 0.00 -1.23 0.00 0.00 61.79 60.02 1sdk h SER 84 Cb 0.70 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1sdk h SER 84 CO 0.02 1.23 -0.18 0.44 -0.53 0.00 0.00 176.83 177.81 1sdk h ASP 85 N 0.21 0.92 0.23 6.23 3.32 -0.91 -1.93 116.42 124.49 1sdk h ASP 85 Ca -0.08 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.58 1sdk h ASP 85 Cb 1.62 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 1sdk h ASP 85 CO 0.17 1.11 -0.33 0.25 -1.72 0.00 0.00 179.24 178.72 1sdk h LEU 86 N 0.73 -0.91 -0.48 1.55 5.85 -1.22 -1.37 115.31 119.47 1sdk h LEU 86 Ca 0.10 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1sdk h LEU 86 Cb 0.74 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1sdk h LEU 86 CO 0.06 -0.44 -0.02 0.45 -0.34 0.00 0.00 178.44 178.15 1sdk h HIS 87 N -0.62 0.93 0.00 1.25 3.86 -1.15 0.16 115.15 119.58 1sdk h HIS 87 Ca 0.00 -0.17 -0.18 0.00 -1.16 0.00 0.00 60.37 58.87 1sdk h HIS 87 Cb 0.60 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 1sdk h HIS 87 CO -0.24 0.89 -1.01 0.00 0.86 0.00 0.00 177.93 178.44 1sdk h ALA 88 N 0.92 0.20 0.02 2.45 0.00 -1.42 -0.39 119.26 121.04 1sdk h ALA 88 Ca 0.13 -1.04 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 1sdk h ALA 88 Cb 0.53 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sdk h ALA 88 CO 0.03 0.58 -0.17 0.45 0.00 0.00 0.00 179.25 180.14 1sdk h HIS 89 N -1.00 0.14 0.00 0.00 3.86 -1.40 -2.84 115.15 113.90 1sdk h HIS 89 Ca -0.27 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1sdk h HIS 89 Cb 1.17 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1sdk h HIS 89 CO 0.09 0.98 -0.04 0.87 0.86 0.00 0.00 177.93 180.69 1sdk h LYS 90 N -0.74 0.00 0.00 2.45 6.56 -1.08 -3.40 116.57 120.36 1sdk h LYS 90 Ca -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1sdk h LYS 90 Cb 1.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 1sdk h LYS 90 CO 0.03 0.00 -0.22 1.28 -2.06 0.00 0.00 179.45 178.48 1sdk n LEU 91 N -4.48 0.80 -3.90 2.94 4.77 0.51 -4.97 117.00 112.67 1sdk n LEU 91 Ca -0.01 0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 56.18 1sdk n LEU 91 Cb 0.02 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1sdk n LEU 91 CO 0.01 -0.14 -0.20 0.54 -1.33 0.00 0.00 177.39 176.26 1sdk n ARG 92 N -2.23 -3.50 -2.23 3.23 1.74 -0.70 -4.89 116.66 108.08 1sdk n ARG 92 Ca 0.05 0.44 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 1sdk n ARG 92 Cb 0.44 -4.62 -0.03 0.00 -1.02 0.00 0.00 32.46 27.23 1sdk n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sdk s VAL 93 N -3.90 3.41 0.16 1.55 1.01 -0.24 -4.94 120.40 117.45 1sdk s VAL 93 Ca 0.01 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 1sdk s VAL 93 Cb -0.01 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 1sdk s VAL 93 CO 0.88 0.10 1.68 -0.62 0.00 0.00 0.00 175.10 177.14 1sdk s ASP 94 N 0.87 6.49 0.47 3.32 -1.08 -1.26 -4.88 116.67 120.60 1sdk s ASP 94 Ca 0.61 2.71 0.25 0.00 -0.52 0.00 0.00 52.55 55.60 1sdk s ASP 94 Cb -0.35 -2.59 1.29 0.00 -1.46 0.00 0.00 42.92 39.81 1sdk s ASP 94 CO 0.32 -0.91 1.83 -0.65 0.52 0.00 0.00 175.17 176.28 1sdk h PRO 95 N 7.32 0.20 -0.78 4.34 0.11 -1.99 -1.06 132.00 140.14 1sdk h PRO 95 Ca -0.43 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.72 1sdk h PRO 95 Cb 1.20 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1sdk h PRO 95 CO 0.94 0.13 0.51 -0.24 -0.21 0.00 0.00 178.00 179.14 1sdk h VAL 96 N 0.21 1.06 0.00 3.15 3.04 -2.02 -1.07 116.25 120.62 1sdk h VAL 96 Ca 0.51 -0.30 -0.00 0.00 -1.01 0.00 0.00 66.70 65.89 1sdk h VAL 96 Cb 1.62 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1sdk h VAL 96 CO -0.13 0.16 -0.02 0.78 -1.01 0.00 0.00 177.57 177.35 1sdk h ASN 97 N 0.88 0.00 0.43 3.17 -0.26 -1.56 -0.11 115.58 118.14 1sdk h ASN 97 Ca 0.33 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.91 1sdk h ASN 97 Cb 0.17 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1sdk h ASN 97 CO -0.11 0.02 -0.68 -0.26 -1.06 0.00 0.00 177.43 175.34 1sdk h PHE 98 N 0.00 0.29 -0.38 1.19 0.04 -1.33 -1.22 116.94 115.54 1sdk h PHE 98 Ca -0.00 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.54 1sdk h PHE 98 Cb 0.11 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1sdk h PHE 98 CO 0.00 0.83 -0.19 0.87 -0.60 0.00 0.00 178.31 179.22 1sdk h LYS 99 N 0.15 0.72 -0.68 1.51 1.57 -1.07 -0.61 116.57 118.16 1sdk h LYS 99 Ca -0.02 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1sdk h LYS 99 Cb 1.22 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 1sdk h LYS 99 CO 0.10 0.86 0.30 -0.07 -0.57 0.00 0.00 179.45 180.07 1sdk h LEU 100 N 0.64 0.91 -0.13 2.94 3.38 -1.02 -0.28 115.31 121.75 1sdk h LEU 100 Ca 0.10 -0.15 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1sdk h LEU 100 Cb 0.67 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1sdk h LEU 100 CO 0.05 0.81 -0.91 0.25 0.09 0.00 0.00 178.44 178.73 1sdk h LEU 101 N 0.95 0.79 -0.55 1.67 5.85 -1.14 -0.98 115.31 121.91 1sdk h LEU 101 Ca 0.23 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1sdk h LEU 101 Cb 0.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1sdk h LEU 101 CO -0.02 1.38 0.35 0.28 -0.34 0.00 0.00 178.44 180.10 1sdk h SER 102 N 0.39 0.63 -0.70 1.25 0.02 -0.98 -0.61 113.55 113.56 1sdk h SER 102 Ca -0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1sdk h SER 102 Cb 1.55 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.90 1sdk h SER 102 CO 0.18 0.47 0.38 -0.74 -1.14 0.00 0.00 176.83 175.98 1sdk h HIS 103 N 0.74 0.95 0.00 3.45 -0.00 -0.84 -2.54 115.15 116.92 1sdk h HIS 103 Ca 0.20 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1sdk h HIS 103 Cb -0.07 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.03 1sdk h HIS 103 CO -0.03 0.67 -0.22 0.00 -0.00 0.00 0.00 177.93 178.34 1sdk h LEU 105 N 0.00 0.87 -0.62 0.00 3.38 -0.77 -1.03 115.31 117.14 1sdk h LEU 105 Ca -0.00 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1sdk h LEU 105 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1sdk h LEU 105 CO 0.03 1.29 0.27 -0.07 0.09 0.00 0.00 178.44 180.04 1sdk h LEU 106 N 0.50 0.83 -0.23 1.67 3.38 -1.04 0.11 115.31 120.54 1sdk h LEU 106 Ca -0.01 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1sdk h LEU 106 Cb 1.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1sdk h LEU 106 CO 0.12 0.76 0.12 0.58 0.09 0.00 0.00 178.44 180.11 1sdk h VAL 107 N 0.86 1.01 -0.78 1.22 2.07 -1.17 0.37 116.25 119.82 1sdk h VAL 107 Ca 0.21 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1sdk h VAL 107 Cb 0.17 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1sdk h VAL 107 CO -0.02 0.05 0.31 0.74 0.02 0.00 0.00 177.57 178.66 1sdk h THR 108 N 0.25 1.26 -0.31 2.57 2.02 -0.86 -1.48 112.91 116.36 1sdk h THR 108 Ca 0.09 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.37 1sdk h THR 108 Cb 0.01 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1sdk h THR 108 CO -0.05 0.34 -0.08 -0.07 0.37 0.00 0.00 175.52 176.02 1sdk h LEU 109 N 1.14 0.62 -1.09 2.58 3.38 -0.27 -2.15 115.31 119.52 1sdk h LEU 109 Ca 0.26 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1sdk h LEU 109 Cb 0.23 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1sdk h LEU 109 CO -0.02 0.84 0.61 0.00 0.09 0.00 0.00 178.44 179.97 1sdk h ALA 110 N 0.80 1.40 0.00 1.53 0.00 0.04 0.12 119.26 123.15 1sdk h ALA 110 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sdk h ALA 110 Cb 0.57 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sdk h ALA 110 CO 0.03 0.50 -0.22 0.00 0.00 0.00 0.00 179.25 179.56 1sdk h ALA 111 N 1.45 1.16 0.00 0.00 0.00 -0.99 -3.29 119.26 117.59 1sdk h ALA 111 Ca 0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1sdk h ALA 111 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1sdk h ALA 111 CO -0.11 0.28 -1.62 0.72 0.00 0.00 0.00 179.25 178.52 1sdk n HIS 112 N -3.59 0.00 -3.11 0.00 8.25 -0.82 -4.76 115.22 111.18 1sdk n HIS 112 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1sdk n HIS 112 Cb 0.36 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.01 2.09 -0.02 2.41 4.77 -0.03 -4.95 117.00 119.25 1sdk n LEU 113 Ca -0.04 -5.23 -0.09 0.00 -0.03 0.00 0.00 56.01 50.62 1sdk n LEU 113 Cb 0.40 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1sdk n LEU 113 CO 0.27 2.29 0.77 1.55 -1.33 0.00 0.00 177.39 180.95 1sdk h PRO 114 N 3.08 -0.13 -0.60 3.23 0.13 -1.78 0.48 132.00 136.42 1sdk h PRO 114 Ca 0.11 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.35 1sdk h PRO 114 Cb 0.80 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 1sdk h PRO 114 CO 0.61 -0.08 0.41 0.00 -0.23 0.00 0.00 178.00 178.71 1sdk h ALA 115 N 0.99 2.05 0.00 -0.56 0.00 -1.92 -2.63 119.26 117.19 1sdk h ALA 115 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1sdk h ALA 115 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1sdk h ALA 115 CO -0.26 -0.19 -1.49 0.39 0.00 0.00 0.00 179.25 177.70 1sdk n GLU 116 N -4.47 0.63 -1.54 0.00 4.71 0.03 -4.59 120.64 115.41 1sdk n GLU 116 Ca 0.10 0.20 -0.41 0.00 -0.01 0.00 0.00 57.16 57.04 1sdk n GLU 116 Cb 0.40 -1.78 -0.04 0.00 -1.01 0.00 0.00 31.44 29.01 1sdk n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1sdk n PHE 117 N -2.86 2.70 -2.32 -0.32 7.35 0.15 -4.78 117.46 117.38 1sdk n PHE 117 Ca -0.11 -2.22 -0.25 0.00 -0.76 0.00 0.00 57.45 54.11 1sdk n PHE 117 Cb 0.85 -2.14 0.07 0.00 0.35 0.00 0.00 39.48 38.61 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 5.01 2.33 0.26 -2.13 -4.23 -1.26 -4.78 115.64 110.84 1sdk s THR 118 Ca 0.55 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1sdk s THR 118 Cb 0.12 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.27 1sdk s THR 118 CO 0.05 0.00 1.90 -0.65 -0.54 0.00 0.00 174.62 175.38 1sdk h PRO 119 N -0.50 1.22 -0.35 3.99 0.11 -1.99 0.69 132.00 135.16 1sdk h PRO 119 Ca -0.43 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1sdk h PRO 119 Cb 1.30 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1sdk h PRO 119 CO 0.55 0.80 0.15 0.00 -0.21 0.00 0.00 178.00 179.29 1sdk h ALA 120 N 1.42 0.46 -0.28 -0.75 0.00 -1.96 -1.65 119.26 116.49 1sdk h ALA 120 Ca 0.40 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1sdk h ALA 120 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sdk h ALA 120 CO -0.13 0.06 -0.25 0.28 0.00 0.00 0.00 179.25 179.20 1sdk h VAL 121 N 0.43 1.27 -0.40 0.00 2.07 -1.73 -2.54 116.25 115.35 1sdk h VAL 121 Ca 0.12 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1sdk h VAL 121 Cb 0.18 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1sdk h VAL 121 CO -0.01 0.42 0.20 -0.74 0.02 0.00 0.00 177.57 177.45 1sdk h HIS 122 N 0.47 0.57 -0.33 1.57 6.17 -0.59 0.84 115.15 123.85 1sdk h HIS 122 Ca 0.07 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.11 1sdk h HIS 122 Cb 0.69 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.43 1sdk h HIS 122 CO 0.03 0.47 0.17 0.00 0.71 0.00 0.00 177.93 179.31 1sdk h ALA 123 N 1.05 0.43 -0.45 5.26 0.00 -1.20 -0.23 119.26 124.12 1sdk h ALA 123 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1sdk h ALA 123 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1sdk h ALA 123 CO -0.02 -0.03 -0.02 0.77 0.00 0.00 0.00 179.25 179.96 1sdk h SER 124 N 0.41 0.79 -0.64 0.00 0.02 -1.22 -1.43 113.55 111.48 1sdk h SER 124 Ca 0.12 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1sdk h SER 124 Cb 0.08 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1sdk h SER 124 CO -0.02 0.91 0.30 -0.07 -1.14 0.00 0.00 176.83 176.82 1sdk h LEU 125 N 0.64 0.85 -0.79 5.07 3.38 -0.62 0.16 115.31 124.00 1sdk h LEU 125 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sdk h LEU 125 Cb 0.52 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1sdk h LEU 125 CO 0.03 0.75 0.50 -0.78 0.09 0.00 0.00 178.44 179.03 1sdk h ASP 126 N 0.89 0.92 -0.06 -0.43 3.58 -0.76 -0.05 116.42 120.51 1sdk h ASP 126 Ca 0.22 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.47 1sdk h ASP 126 Cb 0.14 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1sdk h ASP 126 CO -0.03 0.69 -0.49 0.11 -2.88 0.00 0.00 179.24 176.64 1sdk h LYS 127 N 1.07 0.62 -0.11 0.28 1.57 -0.63 -2.04 116.57 117.34 1sdk h LYS 127 Ca 0.29 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1sdk h LYS 127 Cb -0.08 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1sdk h LYS 127 CO -0.06 0.97 0.06 0.35 -0.57 0.00 0.00 179.45 180.21 1sdk h PHE 128 N 0.49 0.14 -0.90 -1.35 3.57 -0.13 -1.63 116.94 117.13 1sdk h PHE 128 Ca 0.02 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1sdk h PHE 128 Cb 1.03 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1sdk h PHE 128 CO 0.05 0.14 0.57 -0.07 -2.23 0.00 0.00 178.31 176.77 1sdk h LEU 129 N 0.10 0.89 -0.42 0.59 3.38 -0.96 0.12 115.31 119.02 1sdk h LEU 129 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1sdk h LEU 129 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1sdk h LEU 129 CO -0.01 0.57 0.24 0.00 0.09 0.00 0.00 178.44 179.33 1sdk h ALA 130 N 1.43 0.53 -0.09 1.53 0.00 -1.29 0.24 119.26 121.62 1sdk h ALA 130 Ca 0.40 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 1sdk h ALA 130 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sdk h ALA 130 CO -0.18 0.04 -0.69 0.66 0.00 0.00 0.00 179.25 179.08 1sdk h SER 131 N 0.55 0.47 -0.64 0.00 4.64 -0.27 0.39 113.55 118.69 1sdk h SER 131 Ca 0.15 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 1sdk h SER 131 Cb 0.02 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 1sdk h SER 131 CO -0.03 1.02 0.37 0.58 -0.87 0.00 0.00 176.83 177.91 1sdk h VAL 132 N 0.28 1.03 -0.74 0.95 2.07 -0.61 -1.78 116.25 117.44 1sdk h VAL 132 Ca -0.02 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1sdk h VAL 132 Cb 1.25 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1sdk h VAL 132 CO 0.12 0.13 0.49 0.28 0.02 0.00 0.00 177.57 178.61 1sdk h SER 133 N 0.72 0.85 -0.69 0.57 0.02 0.02 -2.07 113.55 112.97 1sdk h SER 133 Ca 0.27 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1sdk h SER 133 Cb 0.09 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1sdk h SER 133 CO -0.14 0.62 0.43 0.74 -1.14 0.00 0.00 176.83 177.35 1sdk h THR 134 N 1.00 1.10 -0.36 -2.27 2.02 0.28 -2.67 112.91 112.00 1sdk h THR 134 Ca 0.27 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1sdk h THR 134 Cb -0.11 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1sdk h THR 134 CO -0.06 0.16 0.11 0.58 0.37 0.00 0.00 175.52 176.68 1sdk h VAL 135 N 0.85 1.21 0.00 3.16 2.07 -0.91 -0.69 116.25 121.95 1sdk h VAL 135 Ca 0.28 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1sdk h VAL 135 Cb 0.01 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1sdk h VAL 135 CO -0.11 0.24 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 1sdk h LEU 136 N 0.44 0.00 -2.68 2.57 3.38 -1.28 -1.97 115.31 115.77 1sdk h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sdk h LEU 136 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sdk h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1sdk n THR 137 N -2.69 0.84 -0.30 0.22 -2.24 -1.02 -4.34 114.28 104.76 1sdk n THR 137 Ca -0.01 -0.92 0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1sdk n THR 137 Cb 0.15 0.58 0.33 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.20 0.75 0.00 3.42 4.64 -0.31 -1.14 113.55 121.10 1sdk h SER 138 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1sdk h SER 138 Cb 0.45 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1sdk h SER 138 CO 0.00 0.39 0.06 0.29 -0.87 0.00 0.00 176.83 176.70 1sdk n LYS 139 N -4.58 0.00 0.00 4.77 4.01 -1.26 -0.75 118.16 120.35 1sdk n LYS 139 Ca 0.18 0.16 0.06 0.00 -0.51 0.00 0.00 58.31 58.19 1sdk n LYS 139 Cb 0.42 -1.56 0.02 0.00 -0.51 0.00 0.00 35.03 33.40 1sdk n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1sdk n TYR 140 N -1.08 0.00 0.98 2.13 4.01 -0.43 -4.97 117.16 117.80 1sdk n TYR 140 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1sdk n TYR 140 Cb 0.06 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.19 1sdk n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94