#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn3 s LEU 2 N 0.00 4.20 0.82 7.52 1.02 -1.26 -5.07 118.68 125.91 2dn3 s LEU 2 Ca 0.00 0.74 -0.12 0.00 0.02 0.00 0.00 54.13 54.77 2dn3 s LEU 2 Cb 0.00 -2.72 0.08 0.00 0.02 0.00 0.00 46.19 43.58 2dn3 s LEU 2 CO 0.00 -0.11 1.13 -0.94 0.02 0.00 0.00 176.35 176.44 2dn3 s SER 3 N 0.95 4.36 0.23 2.29 1.04 -1.26 -4.87 113.70 116.44 2dn3 s SER 3 Ca 0.25 1.04 -0.06 0.00 0.48 0.00 0.00 55.95 57.66 2dn3 s SER 3 Cb -0.15 -1.68 0.34 0.00 0.10 0.00 0.00 66.02 64.63 2dn3 s SER 3 CO 0.10 -2.02 1.80 -0.65 0.98 0.00 0.00 173.24 173.45 2dn3 h PRO 4 N -1.13 0.71 -0.56 4.02 0.11 -2.00 -1.59 132.00 131.57 2dn3 h PRO 4 Ca -0.47 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2dn3 h PRO 4 Cb 1.30 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2dn3 h PRO 4 CO 0.63 0.47 0.10 0.00 -0.21 0.00 0.00 178.00 178.98 2dn3 h ALA 5 N 1.42 1.13 -0.72 -0.75 0.00 -1.99 -1.33 119.26 117.01 2dn3 h ALA 5 Ca 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dn3 h ALA 5 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2dn3 h ALA 5 CO -0.23 0.58 0.42 -0.44 0.00 0.00 0.00 179.25 179.57 2dn3 h ASP 6 N 0.84 0.88 -0.12 0.00 3.32 -1.68 0.80 116.42 120.46 2dn3 h ASP 6 Ca 0.18 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2dn3 h ASP 6 Cb 0.35 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2dn3 h ASP 6 CO 0.01 0.69 0.04 0.11 -1.72 0.00 0.00 179.24 178.37 2dn3 h LYS 7 N 0.99 0.18 -0.70 3.56 1.57 -0.88 -0.63 116.57 120.65 2dn3 h LYS 7 Ca 0.26 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 2dn3 h LYS 7 Cb -0.01 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 2dn3 h LYS 7 CO -0.05 0.30 0.38 1.15 -0.57 0.00 0.00 179.45 180.67 2dn3 h THR 8 N 0.01 0.93 -0.43 -0.16 2.02 -1.06 -1.56 112.91 112.66 2dn3 h THR 8 Ca 0.04 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2dn3 h THR 8 Cb 0.20 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2dn3 h THR 8 CO -0.00 0.12 0.17 0.78 0.37 0.00 0.00 175.52 176.96 2dn3 h ASN 9 N 0.68 0.60 -0.30 4.18 2.35 -0.52 -1.33 115.58 121.25 2dn3 h ASN 9 Ca 0.33 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2dn3 h ASN 9 Cb 0.26 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2dn3 h ASN 9 CO -0.21 0.61 -0.06 0.58 -1.65 0.00 0.00 177.43 176.69 2dn3 h VAL 10 N 0.56 1.28 -0.77 2.81 2.07 -1.00 -1.50 116.25 119.70 2dn3 h VAL 10 Ca 0.14 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.60 2dn3 h VAL 10 Cb 0.20 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2dn3 h VAL 10 CO -0.01 0.35 0.50 0.11 0.02 0.00 0.00 177.57 178.54 2dn3 h LYS 11 N 0.34 0.97 -0.20 1.57 1.57 -1.18 -0.74 116.57 118.91 2dn3 h LYS 11 Ca 0.08 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2dn3 h LYS 11 Cb 0.54 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2dn3 h LYS 11 CO 0.03 0.64 -0.01 0.00 -0.57 0.00 0.00 179.45 179.54 2dn3 h ALA 12 N 1.30 0.27 0.08 3.86 0.00 -1.16 0.83 119.26 124.44 2dn3 h ALA 12 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dn3 h ALA 12 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2dn3 h ALA 12 CO -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.13 2dn3 h ALA 13 N 0.78 -0.10 -0.59 0.00 0.00 -1.18 -2.81 119.26 115.35 2dn3 h ALA 13 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dn3 h ALA 13 Cb 0.42 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2dn3 h ALA 13 CO 0.01 -0.46 0.36 2.35 0.00 0.00 0.00 179.25 181.52 2dn3 h TRP 14 N -0.30 0.76 -0.95 0.00 2.91 -1.16 -1.84 115.95 115.37 2dn3 h TRP 14 Ca -0.01 0.01 0.25 0.00 1.13 0.00 0.00 58.89 60.27 2dn3 h TRP 14 Cb 0.26 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.60 2dn3 h TRP 14 CO -0.01 0.50 0.65 0.78 -1.03 0.00 0.00 178.44 179.34 2dn3 h GLY 15 N 0.83 0.44 1.41 2.65 0.00 -0.57 -0.20 103.07 107.63 2dn3 h GLY 15 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2dn3 h GLY 15 CO -0.04 -0.02 -0.06 0.28 0.00 0.00 0.00 176.54 176.70 2dn3 n LYS 16 N -4.39 0.41 0.06 4.80 4.76 -0.69 -3.45 118.16 119.66 2dn3 n LYS 16 Ca 0.20 -0.07 -0.05 0.00 -2.87 0.00 0.00 58.31 55.53 2dn3 n LYS 16 Cb 0.90 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 32.73 2dn3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2dn3 h VAL 17 N 0.16 1.33 0.00 -0.18 2.07 -1.12 -3.48 116.25 115.04 2dn3 h VAL 17 Ca 0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2dn3 h VAL 17 Cb 0.35 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2dn3 h VAL 17 CO 0.00 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.72 2dn3 n GLY 18 N 0.05 2.52 0.00 2.17 0.00 -1.22 -1.24 105.19 107.46 2dn3 n GLY 18 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2dn3 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn3 n ALA 19 N 7.16 1.25 1.53 4.61 0.00 -1.26 -2.37 120.51 131.44 2dn3 n ALA 19 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2dn3 n ALA 19 Cb 0.00 -1.08 0.45 0.00 0.00 0.00 0.00 19.45 18.82 2dn3 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dn3 n HIS 20 N -1.48 0.12 0.01 0.00 8.25 -0.37 -4.48 115.22 117.27 2dn3 n HIS 20 Ca 0.01 -0.06 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 2dn3 n HIS 20 Cb 0.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 2dn3 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dn3 h ALA 21 N 3.88 -0.45 -0.54 -1.41 0.00 -1.59 0.58 119.26 119.73 2dn3 h ALA 21 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2dn3 h ALA 21 Cb 0.30 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2dn3 h ALA 21 CO 0.00 -0.84 0.29 0.78 0.00 0.00 0.00 179.25 179.48 2dn3 h GLY 22 N -0.44 0.77 1.01 0.00 0.00 -1.82 -1.18 103.07 101.41 2dn3 h GLY 22 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2dn3 h GLY 22 CO -0.35 0.14 0.44 -2.09 0.00 0.00 0.00 176.54 174.68 2dn3 h GLU 23 N 0.57 0.88 -0.12 4.80 4.81 -1.71 -0.49 114.58 123.32 2dn3 h GLU 23 Ca 0.24 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 2dn3 h GLU 23 Cb 0.12 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2dn3 h GLU 23 CO -0.15 0.58 -0.58 1.88 -0.73 0.00 0.00 179.01 180.01 2dn3 h TYR 24 N 0.91 0.50 -0.71 0.92 0.99 -0.53 -0.54 116.97 118.50 2dn3 h TYR 24 Ca 0.25 -0.18 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 2dn3 h TYR 24 Cb -0.10 -0.09 -0.03 0.00 1.00 0.00 0.00 36.73 37.50 2dn3 h TYR 24 CO -0.03 0.88 0.27 0.78 -0.00 0.00 0.00 178.16 180.06 2dn3 h GLY 25 N 1.26 1.16 1.02 3.88 0.00 -0.79 -0.58 103.07 109.02 2dn3 h GLY 25 Ca -0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 2dn3 h GLY 25 CO 0.10 0.61 0.15 0.00 0.00 0.00 0.00 176.54 177.39 2dn3 h ALA 26 N 1.13 0.80 -0.70 3.60 0.00 -0.82 -1.91 119.26 121.35 2dn3 h ALA 26 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2dn3 h ALA 26 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2dn3 h ALA 26 CO -0.02 0.51 0.24 1.49 0.00 0.00 0.00 179.25 181.47 2dn3 h GLU 27 N 0.88 1.08 -0.77 0.00 4.81 -0.84 -1.05 114.58 118.69 2dn3 h GLU 27 Ca 0.19 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2dn3 h GLU 27 Cb 0.35 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2dn3 h GLU 27 CO 0.00 0.91 0.29 0.00 -0.73 0.00 0.00 179.01 179.48 2dn3 h ALA 28 N 1.11 1.00 -0.45 2.92 0.00 -0.81 0.55 119.26 123.59 2dn3 h ALA 28 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dn3 h ALA 28 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2dn3 h ALA 28 CO -0.01 0.64 0.26 -0.07 0.00 0.00 0.00 179.25 180.07 2dn3 h LEU 29 N 1.12 0.56 -0.61 0.00 3.38 -1.07 -0.15 115.31 118.55 2dn3 h LEU 29 Ca 0.25 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2dn3 h LEU 29 Cb 0.24 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2dn3 h LEU 29 CO -0.02 0.48 0.40 -0.08 0.09 0.00 0.00 178.44 179.31 2dn3 h GLU 30 N 0.60 0.79 -0.82 1.13 4.81 -0.74 -0.21 114.58 120.14 2dn3 h GLU 30 Ca 0.16 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2dn3 h GLU 30 Cb 0.04 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.18 2dn3 h GLU 30 CO -0.03 0.52 0.51 0.00 -0.73 0.00 0.00 179.01 179.28 2dn3 h ARG 31 N 0.82 0.91 -0.21 1.92 3.08 -0.61 -1.59 114.38 118.69 2dn3 h ARG 31 Ca 0.22 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2dn3 h ARG 31 Cb -0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2dn3 h ARG 31 CO -0.05 0.60 0.05 1.98 -1.07 0.00 0.00 179.97 181.48 2dn3 h MET 32 N 0.94 0.34 -0.95 0.04 4.05 -0.20 -0.77 114.93 118.37 2dn3 h MET 32 Ca 0.35 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.69 2dn3 h MET 32 Cb 0.14 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 2dn3 h MET 32 CO -0.16 0.47 0.58 0.74 0.23 0.00 0.00 176.91 178.77 2dn3 h PHE 33 N 0.15 1.23 -0.11 1.39 0.04 -0.76 0.59 116.94 119.47 2dn3 h PHE 33 Ca 0.06 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.63 2dn3 h PHE 33 Cb 0.28 -0.41 0.01 0.00 2.20 0.00 0.00 35.95 38.04 2dn3 h PHE 33 CO 0.01 0.81 -0.76 -0.07 -0.60 0.00 0.00 178.31 177.70 2dn3 h LEU 34 N 1.30 0.86 0.05 1.54 3.38 -1.24 -3.29 115.31 117.91 2dn3 h LEU 34 Ca 0.34 -0.66 -0.24 0.00 0.09 0.00 0.00 57.88 57.41 2dn3 h LEU 34 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 2dn3 h LEU 34 CO -0.07 1.38 -1.14 0.28 0.09 0.00 0.00 178.44 178.98 2dn3 h SER 35 N 0.40 0.16 -2.43 -0.43 0.02 -1.02 -3.40 113.55 106.85 2dn3 h SER 35 Ca -0.06 -0.18 -0.59 0.00 -0.84 0.00 0.00 61.79 60.11 2dn3 h SER 35 Cb 1.40 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.50 2dn3 h SER 35 CO 0.16 1.14 -0.86 0.49 -1.14 0.00 0.00 176.83 176.62 2dn3 n PHE 36 N -3.40 0.81 0.33 3.45 3.01 0.19 -4.99 117.46 116.86 2dn3 n PHE 36 Ca -0.04 -3.72 0.21 0.00 1.01 0.00 0.00 57.45 54.91 2dn3 n PHE 36 Cb 0.98 -0.19 1.14 0.00 -0.01 0.00 0.00 39.48 41.40 2dn3 n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dn3 h PRO 37 N 5.01 0.00 -0.10 -1.08 0.13 -1.76 -0.37 132.00 133.84 2dn3 h PRO 37 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 2dn3 h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2dn3 h PRO 37 CO 0.54 0.00 0.12 1.79 -0.23 0.00 0.00 178.00 180.21 2dn3 h THR 38 N 0.00 0.45 0.00 1.56 1.35 -1.92 -1.54 112.91 112.81 2dn3 h THR 38 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2dn3 h THR 38 Cb 0.03 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2dn3 h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 2dn3 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.38 -3.16 112.91 116.54 2dn3 h THR 39 Ca 0.05 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 2dn3 h THR 39 Cb 0.28 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2dn3 h THR 39 CO -0.00 0.00 -0.10 0.11 -0.25 0.00 0.00 175.52 175.28 2dn3 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.46 -3.02 116.57 118.38 2dn3 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dn3 h LYS 40 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2dn3 h LYS 40 CO 0.00 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.23 2dn3 n THR 41 N -3.50 0.88 0.88 -0.16 -2.24 -1.20 -1.66 114.28 107.29 2dn3 n THR 41 Ca -0.02 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 2dn3 n THR 41 Cb 0.24 -1.06 0.55 0.00 -2.10 0.00 0.00 70.33 67.95 2dn3 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dn3 n TYR 42 N -1.90 0.04 -2.80 4.78 4.01 -1.14 -4.19 117.16 115.97 2dn3 n TYR 42 Ca 0.03 0.01 -0.23 0.00 -0.16 0.00 0.00 57.90 57.55 2dn3 n TYR 42 Cb 0.21 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 2dn3 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2dn3 n PHE 43 N -1.54 2.86 0.28 -0.72 3.01 -0.66 -4.87 117.46 115.81 2dn3 n PHE 43 Ca 0.06 -3.54 0.16 0.00 1.01 0.00 0.00 57.45 55.14 2dn3 n PHE 43 Cb 0.31 -0.34 0.76 0.00 -0.01 0.00 0.00 39.48 40.21 2dn3 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2dn3 h PRO 44 N 2.86 0.00 -0.01 -1.08 0.13 -1.74 -2.51 132.00 129.65 2dn3 h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2dn3 h PRO 44 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2dn3 h PRO 44 CO 0.74 0.08 -0.05 -2.39 -0.23 0.00 0.00 178.00 176.14 2dn3 n HIS 45 N -3.33 0.00 -4.38 1.56 1.44 -1.26 -4.82 115.22 104.43 2dn3 n HIS 45 Ca -0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.39 2dn3 n HIS 45 Cb 0.26 -0.04 -0.10 0.00 0.12 0.00 0.00 29.99 30.23 2dn3 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2dn3 s PHE 46 N -2.13 2.87 -0.05 -1.40 2.99 -0.95 -5.10 117.98 114.22 2dn3 s PHE 46 Ca 0.36 -0.06 -0.24 0.00 0.00 0.00 0.00 56.93 56.99 2dn3 s PHE 46 Cb 0.21 -1.57 -0.04 0.00 0.00 0.00 0.00 43.02 41.62 2dn3 s PHE 46 CO 0.38 0.39 0.73 0.34 -0.00 0.00 0.00 175.22 177.07 2dn3 s ASP 47 N -1.67 7.04 0.00 1.36 -1.08 -1.26 -4.96 116.67 116.10 2dn3 s ASP 47 Ca 0.19 1.25 0.22 0.00 -0.52 0.00 0.00 52.55 53.69 2dn3 s ASP 47 Cb -0.11 -2.43 0.61 0.00 -1.46 0.00 0.00 42.92 39.53 2dn3 s ASP 47 CO 0.10 -0.12 1.51 0.18 0.52 0.00 0.00 175.17 177.36 2dn3 n LEU 48 N 3.72 3.86 -4.73 -1.34 4.77 -1.26 -4.52 117.00 117.50 2dn3 n LEU 48 Ca -0.01 -1.97 -0.30 0.00 -0.03 0.00 0.00 56.01 53.70 2dn3 n LEU 48 Cb 0.51 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 2dn3 n LEU 48 CO 0.47 0.96 0.68 -0.94 -1.33 0.00 0.00 177.39 177.23 2dn3 s SER 49 N -1.02 3.86 0.32 -1.43 1.04 -1.26 -4.90 113.70 110.31 2dn3 s SER 49 Ca 0.47 1.73 -0.29 0.00 0.48 0.00 0.00 55.95 58.34 2dn3 s SER 49 Cb 0.24 -2.39 -0.12 0.00 0.10 0.00 0.00 66.02 63.85 2dn3 s SER 49 CO 0.32 -2.43 1.47 1.57 0.98 0.00 0.00 173.24 175.15 2dn3 n HIS 50 N -3.77 2.68 -0.81 5.02 -0.00 -1.26 -1.89 115.22 115.20 2dn3 n HIS 50 Ca 0.08 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.67 2dn3 n HIS 50 Cb 0.54 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 2dn3 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dn3 n GLY 51 N 1.31 0.67 3.69 1.57 0.00 -1.26 -5.00 105.19 106.17 2dn3 n GLY 51 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2dn3 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn3 s SER 52 N -2.23 6.44 0.50 1.61 0.15 -0.79 -4.86 113.70 114.52 2dn3 s SER 52 Ca 0.00 2.73 0.24 0.00 0.70 0.00 0.00 55.95 59.63 2dn3 s SER 52 Cb 0.00 -2.57 1.33 0.00 -1.71 0.00 0.00 66.02 63.07 2dn3 s SER 52 CO 0.00 -0.99 2.04 0.00 1.20 0.00 0.00 173.24 175.49 2dn3 h ALA 53 N 8.49 1.35 -0.12 5.45 0.00 -1.91 -0.93 119.26 131.60 2dn3 h ALA 53 Ca -0.45 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 2dn3 h ALA 53 Cb 1.21 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dn3 h ALA 53 CO 0.95 0.18 -0.68 1.96 0.00 0.00 0.00 179.25 181.65 2dn3 h GLN 54 N 0.00 0.67 -0.59 0.00 4.20 -1.89 -0.80 115.11 116.71 2dn3 h GLN 54 Ca -0.00 -0.57 -0.09 0.00 0.06 0.00 0.00 58.65 58.05 2dn3 h GLN 54 Cb 0.36 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2dn3 h GLN 54 CO 0.02 1.18 0.02 0.28 -0.67 0.00 0.00 178.83 179.66 2dn3 h VAL 55 N 0.35 1.26 -0.27 -0.54 2.07 -1.73 -0.58 116.25 116.81 2dn3 h VAL 55 Ca -0.05 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2dn3 h VAL 55 Cb 1.32 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2dn3 h VAL 55 CO 0.14 0.40 0.16 0.11 0.02 0.00 0.00 177.57 178.41 2dn3 h LYS 56 N 0.94 0.36 -0.46 1.57 1.57 -1.08 0.12 116.57 119.59 2dn3 h LYS 56 Ca 0.17 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 2dn3 h LYS 56 Cb 0.52 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2dn3 h LYS 56 CO 0.03 0.28 -0.15 0.78 -0.57 0.00 0.00 179.45 179.82 2dn3 h GLY 57 N 0.34 0.94 1.68 3.86 0.00 -0.96 -2.74 103.07 106.18 2dn3 h GLY 57 Ca 0.10 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 2dn3 h GLY 57 CO -0.02 0.69 -0.26 0.84 0.00 0.00 0.00 176.54 177.79 2dn3 h HIS 58 N 0.77 0.42 -0.36 5.60 -0.00 -0.73 -2.64 115.15 118.21 2dn3 h HIS 58 Ca 0.12 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2dn3 h HIS 58 Cb 0.67 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 2dn3 h HIS 58 CO 0.04 0.62 0.02 0.78 -0.00 0.00 0.00 177.93 179.39 2dn3 h GLY 59 N 1.02 0.60 1.22 5.26 0.00 -0.50 -0.20 103.07 110.47 2dn3 h GLY 59 Ca 0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 2dn3 h GLY 59 CO 0.05 0.33 0.08 1.70 0.00 0.00 0.00 176.54 178.69 2dn3 h LYS 60 N 0.54 0.95 -0.37 4.80 1.63 -1.19 -0.79 116.57 122.13 2dn3 h LYS 60 Ca 0.12 -0.24 -0.08 0.00 -0.85 0.00 0.00 60.65 59.60 2dn3 h LYS 60 Cb 0.31 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2dn3 h LYS 60 CO 0.01 0.89 -0.08 0.87 -3.45 0.00 0.00 179.45 177.69 2dn3 h LYS 61 N 0.90 0.70 -0.39 1.90 1.57 -1.07 -0.36 116.57 119.82 2dn3 h LYS 61 Ca 0.18 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2dn3 h LYS 61 Cb 0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2dn3 h LYS 61 CO 0.01 0.85 0.20 0.28 -0.57 0.00 0.00 179.45 180.22 2dn3 h VAL 62 N 0.51 1.16 -0.65 0.50 2.07 -0.93 -1.21 116.25 117.69 2dn3 h VAL 62 Ca 0.10 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2dn3 h VAL 62 Cb 0.58 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2dn3 h VAL 62 CO 0.03 0.17 0.41 0.00 0.02 0.00 0.00 177.57 178.21 2dn3 h ALA 63 N 1.05 0.83 -0.84 1.67 0.00 -1.00 -1.40 119.26 119.58 2dn3 h ALA 63 Ca 0.14 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dn3 h ALA 63 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2dn3 h ALA 63 CO -0.02 0.29 0.56 -0.44 0.00 0.00 0.00 179.25 179.64 2dn3 h ASP 64 N 0.89 0.96 -0.60 0.00 3.32 -0.60 0.72 116.42 121.10 2dn3 h ASP 64 Ca 0.24 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 2dn3 h ASP 64 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2dn3 h ASP 64 CO -0.05 0.68 0.09 0.00 -1.72 0.00 0.00 179.24 178.25 2dn3 h ALA 65 N 1.48 0.80 -0.49 3.45 0.00 -0.72 -1.13 119.26 122.65 2dn3 h ALA 65 Ca 0.32 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2dn3 h ALA 65 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2dn3 h ALA 65 CO -0.07 0.56 -0.03 -0.07 0.00 0.00 0.00 179.25 179.64 2dn3 h LEU 66 N 0.91 0.82 -0.88 0.00 3.38 -0.74 -1.49 115.31 117.30 2dn3 h LEU 66 Ca 0.18 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2dn3 h LEU 66 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2dn3 h LEU 66 CO 0.01 0.90 -0.21 0.71 0.09 0.00 0.00 178.44 179.94 2dn3 h THR 67 N 0.78 1.26 -0.59 0.22 1.35 -0.58 -0.39 112.91 114.97 2dn3 h THR 67 Ca 0.14 -1.24 0.05 0.00 -0.55 0.00 0.00 66.41 64.82 2dn3 h THR 67 Cb 0.50 1.25 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 2dn3 h THR 67 CO 0.03 0.40 0.32 -1.13 -0.25 0.00 0.00 175.52 174.89 2dn3 h ASN 68 N 0.53 0.48 -0.61 5.36 -1.24 -0.92 0.62 115.58 119.79 2dn3 h ASN 68 Ca 0.08 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.03 2dn3 h ASN 68 Cb 0.65 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 2dn3 h ASN 68 CO 0.05 0.32 0.03 0.00 -1.29 0.00 0.00 177.43 176.54 2dn3 h ALA 69 N 1.30 0.82 -0.28 1.57 0.00 -0.71 -0.85 119.26 121.12 2dn3 h ALA 69 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dn3 h ALA 69 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2dn3 h ALA 69 CO -0.16 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.19 2dn3 h VAL 70 N 0.97 1.08 0.00 0.00 2.07 -0.77 -1.58 116.25 118.02 2dn3 h VAL 70 Ca 0.18 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2dn3 h VAL 70 Cb 0.52 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2dn3 h VAL 70 CO 0.03 0.08 -0.17 0.00 0.02 0.00 0.00 177.57 177.53 2dn3 h ALA 71 N 1.08 1.15 -0.90 1.67 0.00 -0.69 -3.11 119.26 118.47 2dn3 h ALA 71 Ca 0.10 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.38 2dn3 h ALA 71 Cb -0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.33 2dn3 h ALA 71 CO -0.02 0.21 -0.90 0.72 0.00 0.00 0.00 179.25 179.27 2dn3 n HIS 72 N -3.51 2.45 0.29 0.00 8.25 -0.34 -4.89 115.22 117.47 2dn3 n HIS 72 Ca -0.01 -2.48 0.15 0.00 -0.26 0.00 0.00 57.72 55.11 2dn3 n HIS 72 Cb 0.33 -0.26 0.86 0.00 1.12 0.00 0.00 29.99 32.03 2dn3 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2dn3 h VAL 73 N 3.04 0.51 -0.00 1.59 3.04 -1.22 -0.56 116.25 122.64 2dn3 h VAL 73 Ca 0.20 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2dn3 h VAL 73 Cb 1.30 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2dn3 h VAL 73 CO 0.64 0.05 -0.11 0.47 -1.01 0.00 0.00 177.57 177.61 2dn3 n ASP 74 N -3.71 0.58 -2.76 3.17 10.43 -1.26 -4.01 116.55 118.99 2dn3 n ASP 74 Ca -0.02 -0.70 -0.04 0.00 2.57 0.00 0.00 54.79 56.60 2dn3 n ASP 74 Cb 0.15 -0.04 0.04 0.00 1.84 0.00 0.00 41.12 43.11 2dn3 n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2dn3 n ASP 75 N -0.84 1.66 -0.19 -2.24 4.64 -0.25 -4.96 116.55 114.37 2dn3 n ASP 75 Ca 0.15 -2.29 -0.10 0.00 -1.38 0.00 0.00 54.79 51.17 2dn3 n ASP 75 Cb 0.28 -0.49 0.02 0.00 -1.04 0.00 0.00 41.12 39.89 2dn3 n ASP 75 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 2dn3 h MET 76 N 2.72 1.05 -0.77 -0.67 4.05 -1.62 -1.33 114.93 118.35 2dn3 h MET 76 Ca -0.11 -0.38 0.14 0.00 -0.28 0.00 0.00 59.70 59.07 2dn3 h MET 76 Cb 1.25 -0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 31.88 2dn3 h MET 76 CO 0.30 1.07 0.35 -1.35 0.23 0.00 0.00 176.91 177.51 2dn3 h PRO 77 N 0.93 0.51 -0.18 0.39 0.11 -1.92 -1.35 132.00 130.49 2dn3 h PRO 77 Ca 0.15 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 2dn3 h PRO 77 Cb 0.65 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 2dn3 h PRO 77 CO 0.04 0.33 -0.15 -0.97 -0.21 0.00 0.00 178.00 177.05 2dn3 h ASN 78 N 0.52 0.44 -0.68 -2.05 -1.24 -1.89 -2.29 115.58 108.38 2dn3 h ASN 78 Ca 0.42 -0.46 0.02 0.00 0.71 0.00 0.00 56.30 56.98 2dn3 h ASN 78 Cb 0.59 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.49 2dn3 h ASN 78 CO -0.37 0.80 0.45 0.00 -1.29 0.00 0.00 177.43 177.03 2dn3 h ALA 79 N 0.64 1.55 -0.62 1.57 0.00 -0.87 -2.65 119.26 118.88 2dn3 h ALA 79 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dn3 h ALA 79 Cb 0.67 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dn3 h ALA 79 CO 0.04 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.97 2dn3 n LEU 80 N -4.44 3.80 -0.17 0.00 4.77 -0.54 -4.64 117.00 115.78 2dn3 n LEU 80 Ca 0.08 -2.08 -0.03 0.00 -0.03 0.00 0.00 56.01 53.95 2dn3 n LEU 80 Cb 0.07 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 2dn3 n LEU 80 CO 0.36 0.90 0.98 -1.28 -1.33 0.00 0.00 177.39 177.01 2dn3 h SER 81 N 3.64 0.22 -0.68 -1.43 0.87 -1.03 0.84 113.55 115.97 2dn3 h SER 81 Ca 0.00 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2dn3 h SER 81 Cb 0.99 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2dn3 h SER 81 CO 0.03 0.15 0.26 0.00 -0.53 0.00 0.00 176.83 176.75 2dn3 h ALA 82 N 1.34 0.89 -0.27 6.23 0.00 -1.82 -1.22 119.26 124.40 2dn3 h ALA 82 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2dn3 h ALA 82 Cb 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2dn3 h ALA 82 CO -0.24 0.52 -0.14 1.25 0.00 0.00 0.00 179.25 180.63 2dn3 h LEU 83 N 0.97 0.45 -0.43 0.00 5.85 -1.74 -1.06 115.31 119.34 2dn3 h LEU 83 Ca 0.23 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2dn3 h LEU 83 Cb 0.22 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2dn3 h LEU 83 CO -0.02 0.62 -0.07 0.28 -0.34 0.00 0.00 178.44 178.91 2dn3 h SER 84 N 0.42 0.81 -0.56 1.25 0.02 -0.36 -1.07 113.55 114.07 2dn3 h SER 84 Ca 0.08 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2dn3 h SER 84 Cb 0.50 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2dn3 h SER 84 CO 0.03 0.97 0.36 0.44 -1.14 0.00 0.00 176.83 177.49 2dn3 h ASP 85 N 0.64 0.60 -0.14 3.07 3.32 -1.04 -2.05 116.42 120.81 2dn3 h ASP 85 Ca 0.11 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2dn3 h ASP 85 Cb 0.60 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2dn3 h ASP 85 CO 0.04 0.43 0.07 0.25 -1.72 0.00 0.00 179.24 178.30 2dn3 h LEU 86 N 0.72 0.18 -0.65 1.55 5.85 -0.84 0.27 115.31 122.38 2dn3 h LEU 86 Ca 0.21 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 2dn3 h LEU 86 Cb -0.03 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2dn3 h LEU 86 CO -0.07 0.24 -0.45 0.45 -0.34 0.00 0.00 178.44 178.27 2dn3 h HIS 87 N 0.11 0.63 0.04 1.25 3.86 -1.12 -0.26 115.15 119.66 2dn3 h HIS 87 Ca 0.05 -0.19 -0.19 0.00 -1.16 0.00 0.00 60.37 58.88 2dn3 h HIS 87 Cb 0.11 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2dn3 h HIS 87 CO -0.03 0.88 -0.99 0.00 0.86 0.00 0.00 177.93 178.65 2dn3 h ALA 88 N 1.09 0.17 0.00 2.45 0.00 -1.32 -0.33 119.26 121.32 2dn3 h ALA 88 Ca 0.03 -0.98 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 2dn3 h ALA 88 Cb 0.96 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2dn3 h ALA 88 CO 0.08 0.56 -0.00 0.45 0.00 0.00 0.00 179.25 180.35 2dn3 h HIS 89 N -0.76 -0.00 0.06 0.00 3.86 -1.03 -2.99 115.15 114.28 2dn3 h HIS 89 Ca -0.24 -0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.73 2dn3 h HIS 89 Cb 1.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.83 2dn3 h HIS 89 CO 0.15 0.87 -1.25 -0.22 0.86 0.00 0.00 177.93 178.34 2dn3 h LYS 90 N -0.88 0.12 0.00 2.45 3.64 -1.53 -3.39 116.57 116.98 2dn3 h LYS 90 Ca -0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2dn3 h LYS 90 Cb 0.87 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2dn3 h LYS 90 CO 0.00 1.10 -0.91 -0.07 -2.27 0.00 0.00 179.45 177.30 2dn3 h LEU 91 N -0.62 0.00 -1.21 5.20 3.38 -1.13 -3.48 115.31 117.45 2dn3 h LEU 91 Ca -0.30 -0.02 -0.45 0.00 0.09 0.00 0.00 57.88 57.20 2dn3 h LEU 91 Cb 1.52 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.29 2dn3 h LEU 91 CO -0.05 0.01 -0.77 0.54 0.09 0.00 0.00 178.44 178.26 2dn3 n ARG 92 N -2.65 -5.74 -2.19 1.13 5.12 -0.65 -4.90 116.66 106.78 2dn3 n ARG 92 Ca 0.01 0.64 -0.42 0.00 -1.93 0.00 0.00 57.85 56.15 2dn3 n ARG 92 Cb 0.54 -5.47 -0.03 0.00 -1.16 0.00 0.00 32.46 26.34 2dn3 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dn3 s VAL 93 N -3.41 3.51 0.15 1.55 1.01 -0.23 -4.94 120.40 118.05 2dn3 s VAL 93 Ca 0.45 1.00 -0.32 0.00 0.00 0.00 0.00 61.98 63.11 2dn3 s VAL 93 Cb -0.22 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 2dn3 s VAL 93 CO 0.81 0.04 1.74 -0.67 0.00 0.00 0.00 175.10 177.01 2dn3 n ASP 94 N 4.71 3.77 0.05 3.32 -0.08 -1.26 -4.87 116.55 122.19 2dn3 n ASP 94 Ca 0.12 1.04 0.19 0.00 -1.51 0.00 0.00 54.79 54.63 2dn3 n ASP 94 Cb 0.43 -1.52 0.71 0.00 2.34 0.00 0.00 41.12 43.08 2dn3 n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2dn3 h PRO 95 N 7.32 0.00 -0.50 -0.67 0.13 -1.98 -0.38 132.00 135.91 2dn3 h PRO 95 Ca -0.45 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.78 2dn3 h PRO 95 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2dn3 h PRO 95 CO 0.94 0.00 0.34 0.28 -0.23 0.00 0.00 178.00 179.33 2dn3 h VAL 96 N 0.00 0.87 0.00 1.56 2.07 -2.03 -2.42 116.25 116.31 2dn3 h VAL 96 Ca 0.21 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2dn3 h VAL 96 Cb 0.91 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2dn3 h VAL 96 CO -0.00 0.05 -0.12 0.78 0.02 0.00 0.00 177.57 178.29 2dn3 h ASN 97 N 0.25 0.00 0.06 0.57 2.35 -1.43 -2.31 115.58 115.08 2dn3 h ASN 97 Ca 0.23 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2dn3 h ASN 97 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2dn3 h ASN 97 CO -0.05 0.12 -0.24 -0.26 -1.65 0.00 0.00 177.43 175.36 2dn3 h PHE 98 N 0.00 0.34 -0.45 1.19 0.04 -1.59 -1.65 116.94 114.82 2dn3 h PHE 98 Ca -0.00 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 2dn3 h PHE 98 Cb 0.54 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 2dn3 h PHE 98 CO 0.00 0.53 0.12 0.87 -0.60 0.00 0.00 178.31 179.23 2dn3 h LYS 99 N 0.28 0.67 -0.05 1.51 1.57 -1.57 -0.72 116.57 118.26 2dn3 h LYS 99 Ca 0.05 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2dn3 h LYS 99 Cb 0.58 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2dn3 h LYS 99 CO 0.04 0.60 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.34 2dn3 h LEU 100 N 0.65 0.18 -0.96 2.94 3.38 -1.33 -1.65 115.31 118.51 2dn3 h LEU 100 Ca 0.15 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2dn3 h LEU 100 Cb 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2dn3 h LEU 100 CO -0.00 0.73 0.09 0.25 0.09 0.00 0.00 178.44 179.59 2dn3 h LEU 101 N -0.36 0.79 -0.49 1.67 5.85 -1.28 -1.80 115.31 119.68 2dn3 h LEU 101 Ca -0.00 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2dn3 h LEU 101 Cb 0.70 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2dn3 h LEU 101 CO 0.02 0.81 0.31 0.28 -0.34 0.00 0.00 178.44 179.52 2dn3 h SER 102 N 0.80 0.58 -0.67 1.25 0.02 -1.08 0.73 113.55 115.19 2dn3 h SER 102 Ca 0.17 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2dn3 h SER 102 Cb 0.36 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2dn3 h SER 102 CO 0.01 0.45 0.43 -0.74 -1.14 0.00 0.00 176.83 175.84 2dn3 h HIS 103 N 0.66 0.81 0.00 3.45 -0.00 -1.09 -1.78 115.15 117.21 2dn3 h HIS 103 Ca 0.18 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 2dn3 h HIS 103 Cb -0.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 2dn3 h HIS 103 CO -0.03 0.48 -0.41 0.00 -0.00 0.00 0.00 177.93 177.97 2dn3 h LEU 105 N 0.00 0.82 -0.60 0.00 3.38 -0.52 -1.53 115.31 116.85 2dn3 h LEU 105 Ca -0.00 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2dn3 h LEU 105 Cb 0.74 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2dn3 h LEU 105 CO 0.05 0.94 0.39 -0.07 0.09 0.00 0.00 178.44 179.84 2dn3 h LEU 106 N 0.68 0.69 -0.60 1.67 3.38 -0.73 -1.15 115.31 119.26 2dn3 h LEU 106 Ca 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dn3 h LEU 106 Cb 0.52 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2dn3 h LEU 106 CO 0.03 0.51 0.34 0.58 0.09 0.00 0.00 178.44 179.99 2dn3 h VAL 107 N 0.81 1.19 -0.44 1.22 2.07 -0.98 0.17 116.25 120.29 2dn3 h VAL 107 Ca 0.22 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2dn3 h VAL 107 Cb -0.08 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2dn3 h VAL 107 CO -0.05 0.20 0.22 0.74 0.02 0.00 0.00 177.57 178.70 2dn3 h THR 108 N 0.81 1.17 -0.61 2.57 2.02 -0.96 -0.57 112.91 117.34 2dn3 h THR 108 Ca 0.21 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 2dn3 h THR 108 Cb 0.02 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2dn3 h THR 108 CO -0.04 0.19 0.22 -0.07 0.37 0.00 0.00 175.52 176.19 2dn3 h LEU 109 N 0.57 0.87 -1.05 2.58 3.38 -0.92 -2.28 115.31 118.45 2dn3 h LEU 109 Ca 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dn3 h LEU 109 Cb 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2dn3 h LEU 109 CO -0.02 0.82 0.46 0.00 0.09 0.00 0.00 178.44 179.78 2dn3 h ALA 110 N 1.08 1.27 0.00 1.53 0.00 -0.67 0.13 119.26 122.61 2dn3 h ALA 110 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2dn3 h ALA 110 Cb 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2dn3 h ALA 110 CO -0.01 0.60 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 2dn3 h ALA 111 N 1.37 1.00 0.00 0.00 0.00 -0.66 -3.31 119.26 117.66 2dn3 h ALA 111 Ca 0.29 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2dn3 h ALA 111 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dn3 h ALA 111 CO -0.05 0.10 -1.60 0.72 0.00 0.00 0.00 179.25 178.41 2dn3 n HIS 112 N -3.18 0.00 -3.11 0.00 -0.00 -0.90 -4.82 115.22 103.20 2dn3 n HIS 112 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 2dn3 n HIS 112 Cb 0.38 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.99 29.97 2dn3 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2dn3 n LEU 113 N -2.07 2.46 -0.14 2.41 4.77 0.43 -4.94 117.00 119.93 2dn3 n LEU 113 Ca -0.07 -5.28 -0.00 0.00 -0.03 0.00 0.00 56.01 50.62 2dn3 n LEU 113 Cb 0.49 0.09 0.25 0.00 -2.33 0.00 0.00 43.42 41.92 2dn3 n LEU 113 CO 0.24 2.27 1.10 1.55 -1.33 0.00 0.00 177.39 181.23 2dn3 h PRO 114 N 3.20 0.83 0.00 3.23 0.13 -1.78 -1.71 132.00 135.89 2dn3 h PRO 114 Ca 0.12 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2dn3 h PRO 114 Cb 0.75 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2dn3 h PRO 114 CO 0.65 0.64 -0.21 0.00 -0.23 0.00 0.00 178.00 178.86 2dn3 h ALA 115 N 1.48 1.34 0.00 -0.56 0.00 -1.93 -2.92 119.26 116.67 2dn3 h ALA 115 Ca 0.21 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2dn3 h ALA 115 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dn3 h ALA 115 CO -0.03 0.26 -0.92 0.93 0.00 0.00 0.00 179.25 179.50 2dn3 h GLU 116 N 0.00 0.00 -2.39 0.00 3.07 -1.73 -3.39 114.58 110.14 2dn3 h GLU 116 Ca -0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 2dn3 h GLU 116 Cb 0.47 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.25 2dn3 h GLU 116 CO 0.03 0.59 1.62 0.34 -1.40 0.00 0.00 179.01 180.19 2dn3 n PHE 117 N -3.17 2.02 -1.32 4.33 7.35 -0.90 -4.69 117.46 121.08 2dn3 n PHE 117 Ca -0.02 -2.43 -0.30 0.00 -0.76 0.00 0.00 57.45 53.93 2dn3 n PHE 117 Cb 0.84 -1.72 0.11 0.00 0.35 0.00 0.00 39.48 39.06 2dn3 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dn3 s THR 118 N -1.07 3.01 0.25 -2.13 -4.23 -1.26 -4.74 115.64 105.47 2dn3 s THR 118 Ca 0.58 0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 2dn3 s THR 118 Cb 0.26 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.44 2dn3 s THR 118 CO -0.13 -0.43 1.81 -0.65 -0.54 0.00 0.00 174.62 174.68 2dn3 h PRO 119 N -1.29 0.77 -0.65 3.99 0.11 -1.99 0.45 132.00 133.39 2dn3 h PRO 119 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2dn3 h PRO 119 Cb 1.26 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2dn3 h PRO 119 CO 0.55 0.51 0.18 0.00 -0.21 0.00 0.00 178.00 179.03 2dn3 h ALA 120 N 1.47 0.86 -0.24 -0.75 0.00 -1.96 -1.34 119.26 117.30 2dn3 h ALA 120 Ca 0.41 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2dn3 h ALA 120 Cb 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dn3 h ALA 120 CO -0.26 0.55 -0.55 0.28 0.00 0.00 0.00 179.25 179.28 2dn3 h VAL 121 N 0.96 1.30 -0.46 0.00 2.07 -1.74 -1.35 116.25 117.02 2dn3 h VAL 121 Ca 0.21 -1.77 0.08 0.00 0.82 0.00 0.00 66.70 66.04 2dn3 h VAL 121 Cb 0.33 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 2dn3 h VAL 121 CO -0.00 0.56 0.07 -0.74 0.02 0.00 0.00 177.57 177.48 2dn3 h HIS 122 N 0.56 0.11 -0.55 1.57 6.17 -0.76 0.18 115.15 122.43 2dn3 h HIS 122 Ca 0.01 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.09 2dn3 h HIS 122 Cb 1.13 0.02 -0.02 0.00 2.52 0.00 0.00 27.41 31.06 2dn3 h HIS 122 CO 0.06 -0.02 0.23 0.00 0.71 0.00 0.00 177.93 178.91 2dn3 h ALA 123 N 1.37 0.71 -0.57 5.26 0.00 -0.88 0.40 119.26 125.56 2dn3 h ALA 123 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2dn3 h ALA 123 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2dn3 h ALA 123 CO -0.32 0.31 0.27 0.77 0.00 0.00 0.00 179.25 180.28 2dn3 h SER 124 N 0.75 0.75 -0.59 0.00 0.02 -0.61 -0.98 113.55 112.88 2dn3 h SER 124 Ca 0.19 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2dn3 h SER 124 Cb 0.18 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2dn3 h SER 124 CO -0.02 0.67 0.03 -0.07 -1.14 0.00 0.00 176.83 176.31 2dn3 h LEU 125 N 0.77 1.01 -0.55 5.07 3.38 -0.45 -0.09 115.31 124.45 2dn3 h LEU 125 Ca 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2dn3 h LEU 125 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2dn3 h LEU 125 CO -0.02 1.04 0.33 -0.78 0.09 0.00 0.00 178.44 179.11 2dn3 h ASP 126 N 0.96 0.66 -0.73 -0.43 1.82 -0.65 -0.60 116.42 117.45 2dn3 h ASP 126 Ca 0.18 -0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.71 2dn3 h ASP 126 Cb 0.51 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 2dn3 h ASP 126 CO 0.02 0.52 0.24 0.11 -1.61 0.00 0.00 179.24 178.53 2dn3 h LYS 127 N 0.74 1.13 -0.09 0.28 1.57 -0.87 -0.33 116.57 119.00 2dn3 h LYS 127 Ca 0.20 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2dn3 h LYS 127 Cb -0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 2dn3 h LYS 127 CO -0.04 0.96 0.06 0.35 -0.57 0.00 0.00 179.45 180.21 2dn3 h PHE 128 N 1.08 0.12 -0.06 -1.35 3.57 -0.78 0.03 116.94 119.54 2dn3 h PHE 128 Ca 0.24 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.62 2dn3 h PHE 128 Cb 0.29 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2dn3 h PHE 128 CO 0.02 0.07 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.61 2dn3 h LEU 129 N 0.12 0.18 -0.88 0.59 3.38 -0.90 -0.63 115.31 117.17 2dn3 h LEU 129 Ca 0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2dn3 h LEU 129 Cb -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2dn3 h LEU 129 CO -0.01 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.18 2dn3 h ALA 130 N 1.35 1.06 -0.48 1.53 0.00 -0.87 0.02 119.26 121.88 2dn3 h ALA 130 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2dn3 h ALA 130 Cb 0.93 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2dn3 h ALA 130 CO 0.07 0.59 -0.09 0.77 0.00 0.00 0.00 179.25 180.59 2dn3 h SER 131 N 0.78 0.90 -0.47 0.00 0.02 -0.33 0.68 113.55 115.12 2dn3 h SER 131 Ca 0.15 -0.35 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 2dn3 h SER 131 Cb 0.46 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 2dn3 h SER 131 CO 0.02 1.04 0.22 0.58 -1.14 0.00 0.00 176.83 177.55 2dn3 h VAL 132 N 0.75 0.93 -0.80 2.27 2.07 -1.01 -1.42 116.25 119.05 2dn3 h VAL 132 Ca 0.12 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2dn3 h VAL 132 Cb 0.63 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2dn3 h VAL 132 CO 0.04 0.08 0.34 0.28 0.02 0.00 0.00 177.57 178.33 2dn3 h SER 133 N 0.44 1.08 -0.64 0.57 0.02 -0.74 -0.02 113.55 114.26 2dn3 h SER 133 Ca 0.21 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2dn3 h SER 133 Cb 0.14 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2dn3 h SER 133 CO -0.17 0.95 0.41 0.74 -1.14 0.00 0.00 176.83 177.62 2dn3 h THR 134 N 1.15 1.11 -0.42 -2.27 2.02 -0.54 -1.40 112.91 112.56 2dn3 h THR 134 Ca 0.27 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2dn3 h THR 134 Cb 0.18 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2dn3 h THR 134 CO -0.03 0.15 0.08 0.58 0.37 0.00 0.00 175.52 176.67 2dn3 h VAL 135 N 0.81 1.24 0.00 3.16 2.07 -0.56 -2.68 116.25 120.29 2dn3 h VAL 135 Ca 0.25 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2dn3 h VAL 135 Cb -0.02 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2dn3 h VAL 135 CO -0.09 0.29 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2dn3 n LEU 136 N -4.52 0.12 -0.63 2.57 4.77 -0.09 -1.58 117.00 117.64 2dn3 n LEU 136 Ca -0.00 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 2dn3 n LEU 136 Cb 0.23 -0.51 0.19 0.00 -2.33 0.00 0.00 43.42 41.00 2dn3 n LEU 136 CO 0.39 -0.26 0.65 0.35 -1.33 0.00 0.00 177.39 177.19 2dn3 n THR 137 N -1.62 1.72 1.08 -5.08 -2.24 -0.56 -4.48 114.28 103.09 2dn3 n THR 137 Ca 0.04 -1.57 0.13 0.00 -2.27 0.00 0.00 64.05 60.37 2dn3 n THR 137 Cb 0.20 0.05 0.36 0.00 -2.10 0.00 0.00 70.33 68.84 2dn3 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dn3 n SER 138 N -0.30 0.51 -1.11 3.42 3.41 -0.61 -4.16 113.62 114.77 2dn3 n SER 138 Ca 0.16 -0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.57 2dn3 n SER 138 Cb 0.66 0.09 0.27 0.00 -0.26 0.00 0.00 64.21 64.97 2dn3 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dn3 n LYS 139 N -1.31 3.28 -1.97 4.33 4.76 -1.26 -5.02 118.16 120.97 2dn3 n LYS 139 Ca 0.08 -2.64 -0.37 0.00 -2.87 0.00 0.00 58.31 52.51 2dn3 n LYS 139 Cb 0.33 -1.71 0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2dn3 n LYS 139 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dn3 s TYR 140 N -1.91 2.39 0.00 2.13 1.51 -1.26 -4.72 117.35 115.49 2dn3 s TYR 140 Ca 0.40 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.95 2dn3 s TYR 140 Cb 0.27 -3.55 0.00 0.00 -0.11 0.00 0.00 41.96 38.57 2dn3 s TYR 140 CO 0.17 -2.34 0.00 2.89 -1.11 0.00 0.00 175.55 175.16