#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh2 s LEU 5 N 0.00 1.95 0.71 0.00 2.96 -1.26 -5.10 118.68 117.93 3dh2 s LEU 5 Ca 0.00 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.24 3dh2 s LEU 5 Cb 0.00 -1.28 0.03 0.00 0.50 0.00 0.00 46.19 45.44 3dh2 s LEU 5 CO 0.00 0.07 1.17 0.00 -1.32 0.00 0.00 176.35 176.27 3dh2 s ALA 6 N 0.78 2.22 0.03 5.97 0.00 -1.26 -4.81 121.76 124.69 3dh2 s ALA 6 Ca -0.10 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.67 3dh2 s ALA 6 Cb -0.16 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3dh2 s ALA 6 CO 0.01 -1.69 -0.16 -0.51 0.00 0.00 0.00 175.76 173.41 3dh2 s ASP 7 N -2.25 1.86 0.00 0.00 1.01 -1.26 -0.31 116.67 115.72 3dh2 s ASP 7 Ca 0.71 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 53.57 3dh2 s ASP 7 Cb -0.26 -0.15 -0.01 0.00 1.01 0.00 0.00 42.92 43.51 3dh2 s ASP 7 CO 0.44 0.10 -0.04 0.54 0.21 0.00 0.00 175.17 176.42 3dh2 s VAL 8 N -0.70 0.30 0.24 -1.27 0.11 0.18 -4.88 120.40 114.39 3dh2 s VAL 8 Ca 0.04 -0.28 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 3dh2 s VAL 8 Cb -0.07 -0.28 -0.09 0.00 -1.53 0.00 0.00 36.38 34.41 3dh2 s VAL 8 CO 0.01 0.00 1.11 0.00 -3.33 0.00 0.00 175.10 172.89 3dh2 h ARG 10 N 4.32 0.70 0.00 0.00 1.12 -0.22 -1.04 114.38 119.26 3dh2 h ARG 10 Ca -0.46 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 3dh2 h ARG 10 Cb 1.21 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3dh2 h ARG 10 CO 0.69 0.47 0.00 1.79 -3.11 0.00 0.00 179.97 179.81 3dh2 h THR 11 N 0.73 0.00 -0.13 0.20 1.35 -1.75 -1.94 112.91 111.36 3dh2 h THR 11 Ca 0.47 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3dh2 h THR 11 Cb 0.73 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3dh2 h THR 11 CO -0.23 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.33 3dh2 n LYS 12 N -2.85 1.96 -3.01 4.72 4.76 -0.40 -4.91 118.16 118.42 3dh2 n LYS 12 Ca -0.00 -1.41 -0.37 0.00 -2.87 0.00 0.00 58.31 53.66 3dh2 n LYS 12 Cb 0.21 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 3dh2 n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dh2 s LEU 13 N -1.77 4.38 0.54 -0.35 1.43 -0.73 -5.00 118.68 117.18 3dh2 s LEU 13 Ca 0.34 1.54 -0.20 0.00 -1.03 0.00 0.00 54.13 54.79 3dh2 s LEU 13 Cb 0.20 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 3dh2 s LEU 13 CO 0.30 0.04 0.87 -2.65 0.23 0.00 0.00 176.35 175.15 3dh2 n PRO 14 N 0.83 0.94 0.28 1.29 -0.02 -1.26 -4.72 135.00 132.34 3dh2 n PRO 14 Ca -0.02 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.00 3dh2 n PRO 14 Cb 0.50 -2.02 0.97 0.00 -0.02 0.00 0.00 33.50 32.94 3dh2 n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dh2 h SER 15 N 0.75 0.00 -0.05 2.55 4.64 -1.96 -0.64 113.55 118.84 3dh2 h SER 15 Ca -0.46 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.61 3dh2 h SER 15 Cb 1.36 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.47 3dh2 h SER 15 CO 0.52 0.00 -0.93 1.56 -0.87 0.00 0.00 176.83 177.10 3dh2 h GLN 16 N 0.00 0.72 -0.86 4.77 7.50 -1.87 -1.66 115.11 123.71 3dh2 h GLN 16 Ca 0.00 -0.71 0.00 0.00 0.50 0.00 0.00 58.65 58.44 3dh2 h GLN 16 Cb 0.07 0.18 -0.04 0.00 0.05 0.00 0.00 27.48 27.75 3dh2 h GLN 16 CO 0.00 1.30 0.56 0.00 -1.50 0.00 0.00 178.83 179.18 3dh2 h ALA 17 N 0.45 1.09 -0.53 3.87 0.00 -1.43 -2.04 119.26 120.67 3dh2 h ALA 17 Ca -0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3dh2 h ALA 17 Cb 1.58 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3dh2 h ALA 17 CO 0.19 0.52 -0.13 1.96 0.00 0.00 0.00 179.25 181.79 3dh2 h GLN 18 N 1.17 1.02 -0.81 0.00 4.20 -1.43 -2.40 115.11 116.86 3dh2 h GLN 18 Ca 0.31 -0.39 0.13 0.00 0.06 0.00 0.00 58.65 58.77 3dh2 h GLN 18 Cb -0.11 -0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.52 3dh2 h GLN 18 CO -0.07 1.07 0.40 -0.44 -0.67 0.00 0.00 178.83 179.13 3dh2 h ASP 19 N 0.89 0.49 -0.45 1.46 3.32 -1.03 -0.92 116.42 120.17 3dh2 h ASP 19 Ca 0.13 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3dh2 h ASP 19 Cb 0.70 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3dh2 h ASP 19 CO 0.05 0.22 0.02 0.74 -1.72 0.00 0.00 179.24 178.55 3dh2 h THR 20 N 0.60 1.26 -0.29 0.35 2.02 -1.08 -1.55 112.91 114.22 3dh2 h THR 20 Ca 0.43 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 3dh2 h THR 20 Cb 0.58 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3dh2 h THR 20 CO -0.35 0.35 -0.07 -0.07 0.37 0.00 0.00 175.52 175.75 3dh2 h LEU 21 N 0.64 0.44 -1.15 2.58 3.38 -1.11 0.56 115.31 120.64 3dh2 h LEU 21 Ca 0.13 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3dh2 h LEU 21 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3dh2 h LEU 21 CO 0.02 0.56 -0.25 0.00 0.09 0.00 0.00 178.44 178.86 3dh2 h ALA 22 N 1.50 1.29 0.17 1.53 0.00 -0.76 -1.03 119.26 121.96 3dh2 h ALA 22 Ca 0.09 -0.30 -0.31 0.00 0.00 0.00 0.00 54.91 54.39 3dh2 h ALA 22 Cb 0.40 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.12 3dh2 h ALA 22 CO 0.02 0.48 -1.32 -0.07 0.00 0.00 0.00 179.25 178.36 3dh2 h LEU 23 N 0.26 0.86 -0.14 0.00 3.38 -0.49 -3.00 115.31 116.17 3dh2 h LEU 23 Ca 0.04 -0.86 0.05 0.00 0.09 0.00 0.00 57.88 57.20 3dh2 h LEU 23 Cb 0.58 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3dh2 h LEU 23 CO 0.04 1.65 -0.22 0.40 0.09 0.00 0.00 178.44 180.39 3dh2 h ILE 24 N 0.20 0.45 -0.00 1.22 2.04 -0.85 0.27 117.51 120.84 3dh2 h ILE 24 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3dh2 h ILE 24 Cb 2.00 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3dh2 h ILE 24 CO 0.25 0.00 0.01 0.00 0.00 0.00 0.00 178.15 178.41 3dh2 h ALA 25 N 0.71 1.24 -0.34 1.87 0.00 -1.18 -0.74 119.26 120.82 3dh2 h ALA 25 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dh2 h ALA 25 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3dh2 h ALA 25 CO -0.30 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.30 3dh2 n LYS 26 N -3.41 3.06 -4.12 0.00 2.85 -0.99 -4.99 118.16 110.56 3dh2 n LYS 26 Ca -0.03 -2.57 -0.28 0.00 -1.05 0.00 0.00 58.31 54.38 3dh2 n LYS 26 Cb 0.08 -1.66 -0.06 0.00 -0.65 0.00 0.00 35.03 32.75 3dh2 n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3dh2 n ASN 27 N 0.06 0.24 0.00 -5.58 5.15 -0.29 -4.74 115.26 110.10 3dh2 n ASN 27 Ca 0.18 -1.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.04 3dh2 n ASN 27 Cb 0.74 -2.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 3dh2 n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dh2 n GLY 28 N -2.24 -1.15 3.70 8.20 0.00 0.81 -4.80 105.19 109.71 3dh2 n GLY 28 Ca -0.32 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 3dh2 n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dh2 n PRO 29 N 0.00 1.66 -3.71 1.61 -0.02 -1.26 -4.98 135.00 128.30 3dh2 n PRO 29 Ca 0.00 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 3dh2 n PRO 29 Cb 0.00 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.02 3dh2 n PRO 29 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dh2 s TYR 30 N -1.28 3.51 -2.00 6.00 1.51 -1.26 -5.01 117.35 118.82 3dh2 s TYR 30 Ca 0.67 0.54 0.12 0.00 -1.01 0.00 0.00 57.07 57.39 3dh2 s TYR 30 Cb -0.46 -1.98 0.70 0.00 -0.11 0.00 0.00 41.96 40.10 3dh2 s TYR 30 CO 0.53 0.50 1.38 -2.30 -1.11 0.00 0.00 175.55 174.55 3dh2 n PRO 31 N 0.38 0.92 -3.78 -1.71 -0.02 -1.26 -4.77 135.00 124.76 3dh2 n PRO 31 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 3dh2 n PRO 31 Cb 0.52 -1.20 -0.11 0.00 -0.02 0.00 0.00 33.50 32.69 3dh2 n PRO 31 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dh2 s TYR 32 N -2.00 -0.31 0.48 6.00 2.02 -1.26 -5.03 117.35 117.26 3dh2 s TYR 32 Ca 0.18 0.75 0.17 0.00 -0.37 0.00 0.00 57.07 57.79 3dh2 s TYR 32 Cb 0.08 0.11 1.18 0.00 -0.40 0.00 0.00 41.96 42.93 3dh2 s TYR 32 CO 0.14 -0.15 2.08 -0.97 -1.57 0.00 0.00 175.55 175.07 3dh2 h ASN 33 N 5.66 0.00 0.40 2.29 -1.24 -2.05 -2.36 115.58 118.28 3dh2 h ASN 33 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.75 3dh2 h ASN 33 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 3dh2 h ASN 33 CO 0.33 0.09 0.00 0.54 -1.29 0.00 0.00 177.43 177.10 3dh2 n ARG 34 N -4.35 0.18 -2.40 6.67 1.74 -1.26 -4.79 116.66 112.45 3dh2 n ARG 34 Ca -0.03 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 3dh2 n ARG 34 Cb 0.17 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 3dh2 n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dh2 s ASP 35 N -2.70 7.09 0.00 0.55 1.01 -0.89 -2.74 116.67 119.00 3dh2 s ASP 35 Ca 0.14 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.55 3dh2 s ASP 35 Cb 0.11 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.45 3dh2 s ASP 35 CO 0.28 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.87 3dh2 n GLY 36 N 2.56 0.78 3.79 0.21 0.00 0.94 -5.01 105.19 108.46 3dh2 n GLY 36 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3dh2 n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dh2 s VAL 37 N -2.94 3.58 0.03 1.61 -7.23 -1.11 -4.64 120.40 109.71 3dh2 s VAL 37 Ca 0.00 0.93 -0.34 0.00 -1.81 0.00 0.00 61.98 60.76 3dh2 s VAL 37 Cb 0.00 -3.37 -0.13 0.00 0.56 0.00 0.00 36.38 33.44 3dh2 s VAL 37 CO 0.00 -0.27 1.75 0.52 -0.31 0.00 0.00 175.10 176.79 3dh2 n VAL 38 N -1.32 0.33 -3.27 1.32 0.31 -1.26 -1.22 118.33 113.22 3dh2 n VAL 38 Ca 0.10 -0.06 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 3dh2 n VAL 38 Cb 0.52 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 3dh2 n VAL 38 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3dh2 s PHE 39 N 2.70 3.39 -0.55 3.52 2.19 -0.17 -4.80 117.98 124.26 3dh2 s PHE 39 Ca 0.86 0.76 0.24 0.00 0.33 0.00 0.00 56.93 59.13 3dh2 s PHE 39 Cb -0.68 -2.64 0.41 0.00 -1.31 0.00 0.00 43.02 38.81 3dh2 s PHE 39 CO 0.45 -0.06 1.47 0.93 1.83 0.00 0.00 175.22 179.84 3dh2 h GLU 40 N 7.36 0.00 -5.23 10.12 5.08 -1.93 -3.39 114.58 126.58 3dh2 h GLU 40 Ca -0.35 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.60 3dh2 h GLU 40 Cb 1.16 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.47 3dh2 h GLU 40 CO 0.74 0.00 -0.65 -1.71 -1.00 0.00 0.00 179.01 176.39 3dh2 n ASN 41 N -2.48 -5.86 -0.09 1.42 5.15 -1.26 -4.87 115.26 107.27 3dh2 n ASN 41 Ca 0.04 -0.44 0.11 0.00 -0.60 0.00 0.00 54.58 53.69 3dh2 n ASN 41 Cb 0.48 -4.69 0.49 0.00 -0.53 0.00 0.00 39.78 35.52 3dh2 n ASN 41 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3dh2 h ARG 42 N -1.87 0.42 -0.01 1.20 9.65 -1.99 0.47 114.38 122.25 3dh2 h ARG 42 Ca -0.54 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 3dh2 h ARG 42 Cb 1.36 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 3dh2 h ARG 42 CO 0.58 0.28 -0.14 0.39 2.80 0.00 0.00 179.97 183.88 3dh2 n GLU 43 N -4.47 1.02 -4.26 0.20 4.71 -1.26 -4.97 120.64 111.61 3dh2 n GLU 43 Ca 0.10 -0.52 -0.30 0.00 -0.01 0.00 0.00 57.16 56.42 3dh2 n GLU 43 Cb 0.35 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 29.21 3dh2 n GLU 43 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3dh2 n SER 44 N -0.54 0.65 0.10 1.62 3.41 0.15 -4.88 113.62 114.14 3dh2 n SER 44 Ca 0.15 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 3dh2 n SER 44 Cb 0.32 -1.85 0.44 0.00 -0.26 0.00 0.00 64.21 62.86 3dh2 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dh2 n ARG 45 N -4.54 0.22 -4.40 4.33 1.74 -1.26 -4.80 116.66 107.95 3dh2 n ARG 45 Ca -0.31 0.26 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 3dh2 n ARG 45 Cb 0.69 -1.80 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 3dh2 n ARG 45 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dh2 s LEU 46 N -4.37 2.46 0.02 0.55 1.43 -1.26 -4.89 118.68 112.62 3dh2 s LEU 46 Ca 0.09 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 3dh2 s LEU 46 Cb 0.12 -1.35 -0.15 0.00 0.03 0.00 0.00 46.19 44.83 3dh2 s LEU 46 CO 0.52 0.19 0.77 -2.65 0.23 0.00 0.00 176.35 175.41 3dh2 n PRO 47 N 0.94 0.00 -2.42 1.29 -0.02 -1.26 -4.77 135.00 128.76 3dh2 n PRO 47 Ca -0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.88 3dh2 n PRO 47 Cb 0.53 -1.11 -0.02 0.00 -0.02 0.00 0.00 33.50 32.88 3dh2 n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dh2 s LYS 48 N -0.12 3.98 0.30 -0.52 2.47 -1.26 -4.97 119.74 119.61 3dh2 s LYS 48 Ca 0.68 1.33 0.03 0.00 -1.56 0.00 0.00 55.97 56.45 3dh2 s LYS 48 Cb -0.95 -3.86 -0.06 0.00 -1.46 0.00 0.00 37.83 31.51 3dh2 s LYS 48 CO 0.44 -1.04 0.08 0.15 0.16 0.00 0.00 175.35 175.14 3dh2 s LYS 49 N 4.04 1.55 1.23 4.03 -0.14 -1.26 -5.16 119.74 124.03 3dh2 s LYS 49 Ca 0.56 -1.85 -0.18 0.00 -1.36 0.00 0.00 55.97 53.14 3dh2 s LYS 49 Cb -0.18 -0.57 0.29 0.00 -1.68 0.00 0.00 37.83 35.70 3dh2 s LYS 49 CO 0.21 -0.25 1.04 0.20 -0.76 0.00 0.00 175.35 175.79 3dh2 s GLY 50 N -3.41 1.52 0.14 -3.33 0.00 -1.26 -4.91 107.32 96.07 3dh2 s GLY 50 Ca 0.37 -0.64 -0.34 0.00 0.00 0.00 0.00 44.72 44.11 3dh2 s GLY 50 CO 0.15 0.20 1.64 0.70 0.00 0.00 0.00 173.10 175.78 3dh2 n ASN 51 N -4.96 3.27 -0.14 1.64 4.13 -1.26 -2.58 115.26 115.36 3dh2 n ASN 51 Ca 0.09 1.06 -0.02 0.00 1.68 0.00 0.00 54.58 57.40 3dh2 n ASN 51 Cb 0.58 -1.44 -0.01 0.00 -1.54 0.00 0.00 39.78 37.37 3dh2 n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dh2 n GLY 52 N 3.61 0.54 0.19 7.41 0.00 -1.26 -4.92 105.19 110.76 3dh2 n GLY 52 Ca 0.17 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3dh2 n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dh2 h TYR 53 N 0.00 0.62 -2.93 1.61 3.20 -1.82 -3.45 116.97 114.19 3dh2 h TYR 53 Ca -0.04 -0.05 -0.67 0.00 3.14 0.00 0.00 58.73 61.11 3dh2 h TYR 53 Cb 0.23 -0.18 -0.10 0.00 1.54 0.00 0.00 36.73 38.22 3dh2 h TYR 53 CO 0.12 0.56 -0.54 0.71 -1.64 0.00 0.00 178.16 177.37 3dh2 s TYR 54 N -5.49 3.41 0.05 -3.82 1.51 -1.26 -2.48 117.35 109.26 3dh2 s TYR 54 Ca -0.13 0.38 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 3dh2 s TYR 54 Cb 0.10 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.06 3dh2 s TYR 54 CO 0.75 0.62 -0.12 -1.01 -1.11 0.00 0.00 175.55 174.69 3dh2 s HIS 55 N -1.00 1.00 0.07 2.71 3.76 -0.83 -1.00 115.29 119.99 3dh2 s HIS 55 Ca 0.15 -0.41 0.06 0.00 -0.15 0.00 0.00 55.06 54.71 3dh2 s HIS 55 Cb -0.12 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 3dh2 s HIS 55 CO 0.05 0.00 -0.11 -1.83 -0.85 0.00 0.00 174.74 172.00 3dh2 s GLU 56 N -1.39 2.21 -0.01 1.40 4.04 -0.35 -0.65 118.70 123.93 3dh2 s GLU 56 Ca -0.03 -0.95 -0.01 0.00 0.04 0.00 0.00 54.97 54.03 3dh2 s GLU 56 Cb -0.09 -2.32 0.01 0.00 0.02 0.00 0.00 34.13 31.75 3dh2 s GLU 56 CO 0.01 0.54 0.03 -0.06 -1.84 0.00 0.00 175.26 173.94 3dh2 s PHE 57 N -1.10 -0.02 0.32 4.83 0.08 0.12 -0.04 117.98 122.18 3dh2 s PHE 57 Ca 0.19 0.10 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 3dh2 s PHE 57 Cb -0.11 -0.07 -0.10 0.00 -0.57 0.00 0.00 43.02 42.17 3dh2 s PHE 57 CO 0.10 -0.04 1.30 0.99 -0.10 0.00 0.00 175.22 177.47 3dh2 s THR 58 N 0.40 2.78 -0.19 0.64 2.01 -1.26 -1.05 115.64 118.98 3dh2 s THR 58 Ca -0.03 0.78 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 3dh2 s THR 58 Cb -0.05 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3dh2 s THR 58 CO -0.01 0.18 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.36 3dh2 s VAL 59 N -1.06 3.54 0.30 3.82 1.01 -0.47 -4.79 120.40 122.75 3dh2 s VAL 59 Ca 0.49 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3dh2 s VAL 59 Cb -0.39 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.31 3dh2 s VAL 59 CO 0.51 0.46 1.42 -0.69 0.00 0.00 0.00 175.10 176.80 3dh2 s VAL 60 N 0.93 2.53 0.28 2.92 1.01 -1.26 -4.29 120.40 122.53 3dh2 s VAL 60 Ca -0.00 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 3dh2 s VAL 60 Cb -0.15 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 3dh2 s VAL 60 CO 0.01 0.10 1.22 -0.89 0.00 0.00 0.00 175.10 175.53 3dh2 s THR 61 N -0.54 3.14 0.23 3.92 2.01 -1.26 -4.80 115.64 118.34 3dh2 s THR 61 Ca 0.55 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 63.36 3dh2 s THR 61 Cb -0.42 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 3dh2 s THR 61 CO 0.50 0.25 1.23 -2.84 -0.69 0.00 0.00 174.62 173.06 3dh2 s PRO 62 N -1.34 4.47 0.00 4.92 0.02 -1.26 -3.51 135.00 138.30 3dh2 s PRO 62 Ca 0.48 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3dh2 s PRO 62 Cb -0.36 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 30.97 3dh2 s PRO 62 CO 0.45 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.45 3dh2 n GLY 63 N 1.80 1.88 3.77 0.52 0.00 -1.26 -5.01 105.19 106.88 3dh2 n GLY 63 Ca 0.03 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3dh2 n GLY 63 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dh2 s SER 64 N -0.49 4.96 -0.19 1.61 0.15 -1.23 -5.00 113.70 113.51 3dh2 s SER 64 Ca 0.00 1.99 0.16 0.00 0.70 0.00 0.00 55.95 58.80 3dh2 s SER 64 Cb 0.00 -2.55 0.60 0.00 -1.71 0.00 0.00 66.02 62.36 3dh2 s SER 64 CO 0.00 -1.73 1.50 0.59 1.20 0.00 0.00 173.24 174.79 3dh2 n ASN 65 N -2.61 4.30 -4.62 5.45 4.13 -1.26 -4.50 115.26 116.16 3dh2 n ASN 65 Ca 0.10 -2.98 -0.29 0.00 1.68 0.00 0.00 54.58 53.10 3dh2 n ASN 65 Cb 0.52 -0.57 0.16 0.00 -1.54 0.00 0.00 39.78 38.34 3dh2 n ASN 65 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3dh2 s ASP 66 N -1.65 3.08 0.02 6.41 1.01 -1.26 -4.99 116.67 119.29 3dh2 s ASP 66 Ca 0.45 0.89 -0.22 0.00 0.71 0.00 0.00 52.55 54.38 3dh2 s ASP 66 Cb 0.35 -1.40 -0.16 0.00 1.01 0.00 0.00 42.92 42.72 3dh2 s ASP 66 CO 0.11 -2.81 1.36 0.03 0.21 0.00 0.00 175.17 174.06 3dh2 h ARG 67 N -1.68 0.20 0.00 8.23 3.08 -1.95 -3.37 114.38 118.89 3dh2 h ARG 67 Ca -0.50 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3dh2 h ARG 67 Cb 1.32 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3dh2 h ARG 67 CO 0.57 0.58 0.00 0.41 -1.07 0.00 0.00 179.97 180.46 3dh2 n GLY 68 N 0.07 0.35 0.27 0.04 0.00 -1.26 -4.28 105.19 100.38 3dh2 n GLY 68 Ca -0.07 -0.90 0.04 0.00 0.00 0.00 0.00 46.02 45.10 3dh2 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dh2 n THR 69 N 0.00 0.00 -3.36 2.61 -2.24 -1.26 -4.98 114.28 105.05 3dh2 n THR 69 Ca 0.00 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 3dh2 n THR 69 Cb 0.00 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.31 3dh2 n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dh2 s ARG 70 N -0.87 4.09 0.03 -0.78 0.52 -1.25 0.12 118.95 120.81 3dh2 s ARG 70 Ca 0.08 0.61 -0.16 0.00 -0.52 0.00 0.00 55.73 55.74 3dh2 s ARG 70 Cb 0.07 -3.23 0.03 0.00 0.52 0.00 0.00 34.95 32.34 3dh2 s ARG 70 CO 0.14 0.66 0.36 1.03 0.02 0.00 0.00 175.30 177.50 3dh2 s ARG 71 N -1.12 0.84 -0.09 3.54 1.81 -0.20 -1.37 118.95 122.35 3dh2 s ARG 71 Ca 0.27 -0.38 0.03 0.00 -1.72 0.00 0.00 55.73 53.93 3dh2 s ARG 71 Cb -0.18 0.37 0.01 0.00 -0.45 0.00 0.00 34.95 34.70 3dh2 s ARG 71 CO 0.17 -0.27 -0.18 0.08 -0.68 0.00 0.00 175.30 174.42 3dh2 s VAL 72 N -2.30 1.60 -0.12 3.52 1.01 -0.21 -1.82 120.40 122.09 3dh2 s VAL 72 Ca -0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3dh2 s VAL 72 Cb -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3dh2 s VAL 72 CO -0.01 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 174.92 3dh2 s VAL 73 N 0.67 4.87 0.12 2.92 1.01 -0.10 -0.70 120.40 129.19 3dh2 s VAL 73 Ca -0.13 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3dh2 s VAL 73 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3dh2 s VAL 73 CO 0.03 0.59 -0.01 0.42 0.00 0.00 0.00 175.10 176.13 3dh2 s THR 74 N -0.74 3.84 0.46 3.92 -4.23 0.17 0.26 115.64 119.33 3dh2 s THR 74 Ca 0.12 -1.16 0.08 0.00 -1.18 0.00 0.00 61.69 59.55 3dh2 s THR 74 Cb -0.12 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 70.88 3dh2 s THR 74 CO 0.03 0.05 0.46 -0.83 -0.54 0.00 0.00 174.62 173.78 3dh2 s GLY 75 N -2.49 2.11 0.37 3.99 0.00 0.16 -1.97 107.32 109.48 3dh2 s GLY 75 Ca 0.26 -1.78 0.26 0.00 0.00 0.00 0.00 44.72 43.46 3dh2 s GLY 75 CO 0.18 -1.72 1.79 -1.33 0.00 0.00 0.00 173.10 172.01 3dh2 h GLY 76 N 0.82 0.00 -1.60 0.20 0.00 -1.81 -0.26 103.07 100.41 3dh2 h GLY 76 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3dh2 h GLY 76 CO 0.54 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.36 3dh2 n TYR 77 N -2.41 0.88 -0.83 5.60 4.01 -1.26 -4.96 117.16 118.18 3dh2 n TYR 77 Ca -0.01 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 3dh2 n TYR 77 Cb 0.09 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 3dh2 n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dh2 n GLY 78 N -0.25 0.56 3.70 2.72 0.00 -0.11 -5.04 105.19 106.76 3dh2 n GLY 78 Ca 0.20 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3dh2 n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dh2 n GLU 79 N -2.83 1.70 -4.76 1.61 4.71 -1.25 -4.73 120.64 115.08 3dh2 n GLU 79 Ca 0.00 0.61 -0.24 0.00 -0.01 0.00 0.00 57.16 57.52 3dh2 n GLU 79 Cb 0.00 -2.39 -0.16 0.00 -1.01 0.00 0.00 31.44 27.89 3dh2 n GLU 79 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3dh2 s GLN 80 N -2.44 1.47 -0.07 3.49 -0.21 -1.26 0.36 119.66 121.00 3dh2 s GLN 80 Ca 0.66 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 55.50 3dh2 s GLN 80 Cb -0.47 -1.35 0.01 0.00 1.00 0.00 0.00 33.01 32.20 3dh2 s GLN 80 CO 0.54 0.28 -0.15 0.71 -2.12 0.00 0.00 175.29 174.56 3dh2 s TYR 81 N -0.15 1.67 -0.14 0.91 1.51 0.14 -0.34 117.35 120.94 3dh2 s TYR 81 Ca 0.01 -0.62 -0.12 0.00 -1.01 0.00 0.00 57.07 55.33 3dh2 s TYR 81 Cb -0.09 -1.19 -0.05 0.00 -0.11 0.00 0.00 41.96 40.53 3dh2 s TYR 81 CO 0.01 -0.29 0.24 -0.46 -1.11 0.00 0.00 175.55 173.94 3dh2 s TRP 82 N 0.56 3.50 -0.26 2.71 -0.11 0.81 -0.92 118.94 125.23 3dh2 s TRP 82 Ca -0.15 0.57 -0.02 0.00 1.22 0.00 0.00 56.10 57.73 3dh2 s TRP 82 Cb -0.16 -2.23 0.08 0.00 -1.50 0.00 0.00 33.47 29.67 3dh2 s TRP 82 CO 0.05 0.38 0.07 0.45 -4.62 0.00 0.00 176.95 173.28 3dh2 s SER 83 N 0.02 3.52 0.46 5.86 0.15 -0.76 -0.86 113.70 122.09 3dh2 s SER 83 Ca 0.15 -1.26 0.26 0.00 0.70 0.00 0.00 55.95 55.81 3dh2 s SER 83 Cb -0.13 -0.70 0.86 0.00 -1.71 0.00 0.00 66.02 64.34 3dh2 s SER 83 CO 0.04 -0.37 1.79 1.55 1.20 0.00 0.00 173.24 177.45 3dh2 h PRO 84 N 8.19 0.00 -1.25 5.44 0.13 -1.81 -0.52 132.00 142.18 3dh2 h PRO 84 Ca -0.16 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.36 3dh2 h PRO 84 Cb 1.06 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.81 3dh2 h PRO 84 CO 0.41 0.13 -0.23 -0.40 -0.23 0.00 0.00 178.00 177.69 3dh2 n ASP 85 N -3.22 5.70 -3.80 1.44 5.68 -1.25 -3.93 116.55 117.17 3dh2 n ASP 85 Ca 0.01 -3.76 -0.29 0.00 -0.50 0.00 0.00 54.79 50.25 3dh2 n ASP 85 Cb 0.44 -0.60 0.02 0.00 -1.14 0.00 0.00 41.12 39.84 3dh2 n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3dh2 n HIS 86 N -0.64 -1.79 -0.98 2.11 -0.00 0.12 -1.51 115.22 112.53 3dh2 n HIS 86 Ca 0.47 0.58 0.00 0.00 -0.00 0.00 0.00 57.72 58.77 3dh2 n HIS 86 Cb 0.70 -3.61 0.00 0.00 -0.00 0.00 0.00 29.99 27.07 3dh2 n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3dh2 n TYR 87 N -4.30 0.00 0.04 1.57 4.01 -1.26 -4.89 117.16 112.33 3dh2 n TYR 87 Ca -0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.41 3dh2 n TYR 87 Cb 0.63 -0.86 -0.03 0.00 -0.31 0.00 0.00 39.34 38.77 3dh2 n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dh2 h ALA 88 N 0.00 0.41 -2.42 -0.72 0.00 -1.67 -3.46 119.26 111.40 3dh2 h ALA 88 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 54.91 54.07 3dh2 h ALA 88 Cb 0.40 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.00 3dh2 h ALA 88 CO 0.00 0.76 -0.70 0.95 0.00 0.00 0.00 179.25 180.26 3dh2 s THR 89 N -3.50 0.45 0.02 0.00 -4.23 -1.26 -5.10 115.64 102.03 3dh2 s THR 89 Ca -0.07 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 3dh2 s THR 89 Cb 0.09 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 3dh2 s THR 89 CO 0.87 -0.82 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.61 3dh2 s PHE 90 N -3.25 1.39 -0.09 3.99 0.40 -1.26 -4.38 117.98 114.77 3dh2 s PHE 90 Ca 0.05 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3dh2 s PHE 90 Cb 0.03 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.72 3dh2 s PHE 90 CO -0.06 0.03 -0.23 -0.65 0.70 0.00 0.00 175.22 175.02 3dh2 s GLN 91 N -0.90 2.85 0.08 0.44 -0.21 -0.04 -4.10 119.66 117.78 3dh2 s GLN 91 Ca 0.04 -0.83 -0.31 0.00 0.02 0.00 0.00 55.36 54.29 3dh2 s GLN 91 Cb -0.07 -2.18 -0.07 0.00 1.00 0.00 0.00 33.01 31.68 3dh2 s GLN 91 CO 0.01 0.18 1.39 -2.00 -2.12 0.00 0.00 175.29 172.75 3dh2 s GLU 92 N 0.34 4.31 -0.14 2.91 2.12 0.57 -0.14 118.70 128.67 3dh2 s GLU 92 Ca -0.17 2.04 -0.28 0.00 0.36 0.00 0.00 54.97 56.92 3dh2 s GLU 92 Cb -0.17 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 3dh2 s GLU 92 CO 0.08 -0.48 0.93 0.42 -0.54 0.00 0.00 175.26 175.67 3dh2 s ILE 93 N 1.50 4.83 -0.52 -3.70 1.01 0.54 -0.64 121.20 124.21 3dh2 s ILE 93 Ca 0.64 1.85 -0.18 0.00 0.00 0.00 0.00 60.65 62.97 3dh2 s ILE 93 Cb -0.35 -4.23 0.08 0.00 0.01 0.00 0.00 42.46 37.96 3dh2 s ILE 93 CO 0.29 0.01 0.57 -0.62 0.00 0.00 0.00 174.94 175.20 3dh2 s ASP 94 N 1.12 6.19 0.00 3.58 -1.08 0.15 -4.63 116.67 122.00 3dh2 s ASP 94 Ca 0.44 -1.19 0.20 0.00 -0.52 0.00 0.00 52.55 51.48 3dh2 s ASP 94 Cb -0.17 -2.26 1.10 0.00 -1.46 0.00 0.00 42.92 40.13 3dh2 s ASP 94 CO 0.15 -0.87 1.62 -0.81 0.52 0.00 0.00 175.17 175.78 3dh2 n PRO 95 N 5.89 0.44 0.04 4.34 -0.04 -1.26 -1.58 135.00 142.83 3dh2 n PRO 95 Ca -0.09 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 3dh2 n PRO 95 Cb 0.44 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 3dh2 n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dh2 n ARG 96 N -1.16 0.16 0.00 0.54 1.74 -1.26 -4.85 116.66 111.83 3dh2 n ARG 96 Ca 0.12 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3dh2 n ARG 96 Cb 0.12 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 3dh2 n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11