#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dh2 s PRO 3 N 0.00 3.18 -0.22 -0.24 0.04 -1.26 -4.92 135.00 131.58 3dh2 s PRO 3 Ca 0.00 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 3dh2 s PRO 3 Cb 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3dh2 s PRO 3 CO 0.00 -1.03 1.69 0.00 0.04 0.00 0.00 177.00 177.69 3dh2 s ALA 4 N -1.59 3.20 -0.11 8.56 0.00 -1.26 -4.98 121.76 125.58 3dh2 s ALA 4 Ca 0.74 0.50 0.04 0.00 0.00 0.00 0.00 51.96 53.23 3dh2 s ALA 4 Cb -0.30 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 18.94 3dh2 s ALA 4 CO 0.33 -2.07 -0.23 -0.51 0.00 0.00 0.00 175.76 173.28 3dh2 s LEU 5 N 5.55 2.08 0.56 0.00 1.43 -1.26 -5.02 118.68 122.02 3dh2 s LEU 5 Ca 0.75 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 53.08 3dh2 s LEU 5 Cb -0.26 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3dh2 s LEU 5 CO 0.31 0.14 1.25 0.00 0.23 0.00 0.00 176.35 178.28 3dh2 s ALA 6 N 0.46 2.69 0.05 4.21 0.00 -1.26 -4.73 121.76 123.18 3dh2 s ALA 6 Ca -0.16 1.11 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3dh2 s ALA 6 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3dh2 s ALA 6 CO 0.06 -1.17 0.07 -0.51 0.00 0.00 0.00 175.76 174.22 3dh2 s ASP 7 N -1.35 5.53 -0.07 0.00 1.11 -1.26 -0.05 116.67 120.58 3dh2 s ASP 7 Ca 0.74 0.03 -0.03 0.00 0.18 0.00 0.00 52.55 53.47 3dh2 s ASP 7 Cb -0.34 -1.51 0.04 0.00 1.07 0.00 0.00 42.92 42.18 3dh2 s ASP 7 CO 0.38 0.20 0.15 0.54 1.18 0.00 0.00 175.17 177.62 3dh2 s VAL 8 N -1.32 -0.05 0.21 -1.27 0.11 -0.65 -4.90 120.40 112.53 3dh2 s VAL 8 Ca 0.27 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.20 3dh2 s VAL 8 Cb -0.12 -0.24 -0.09 0.00 -1.53 0.00 0.00 36.38 34.40 3dh2 s VAL 8 CO 0.19 0.07 1.38 0.00 -3.33 0.00 0.00 175.10 173.41 3dh2 h ARG 10 N 5.43 0.14 0.00 0.00 1.12 -0.20 0.26 114.38 121.13 3dh2 h ARG 10 Ca -0.45 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.41 3dh2 h ARG 10 Cb 1.21 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 3dh2 h ARG 10 CO 0.79 0.09 0.00 0.25 -3.11 0.00 0.00 179.97 177.99 3dh2 n THR 11 N -5.30 1.08 1.12 0.20 -2.24 -0.70 -1.68 114.28 106.76 3dh2 n THR 11 Ca 0.15 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 3dh2 n THR 11 Cb 0.50 -1.09 0.18 0.00 -2.10 0.00 0.00 70.33 67.81 3dh2 n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dh2 n LYS 12 N -1.63 1.19 -2.15 -0.78 5.02 0.07 -4.94 118.16 114.95 3dh2 n LYS 12 Ca 0.03 -0.89 -0.36 0.00 -2.02 0.00 0.00 58.31 55.07 3dh2 n LYS 12 Cb 0.16 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 3dh2 n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dh2 s LEU 13 N -2.42 3.86 0.95 -0.35 1.43 -0.68 -5.00 118.68 116.47 3dh2 s LEU 13 Ca 0.23 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.56 3dh2 s LEU 13 Cb 0.19 -4.40 0.09 0.00 0.03 0.00 0.00 46.19 42.10 3dh2 s LEU 13 CO 0.52 -1.21 0.72 -0.81 0.23 0.00 0.00 176.35 175.79 3dh2 n PRO 14 N -0.98 -0.48 0.12 1.29 -0.04 -1.26 -4.75 135.00 128.90 3dh2 n PRO 14 Ca 0.10 -0.09 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3dh2 n PRO 14 Cb 0.49 -2.07 0.27 0.00 -0.04 0.00 0.00 33.50 32.15 3dh2 n PRO 14 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dh2 h SER 15 N -1.76 0.19 0.22 3.54 4.64 -1.97 -2.10 113.55 116.31 3dh2 h SER 15 Ca -0.44 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 60.68 3dh2 h SER 15 Cb 1.28 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3dh2 h SER 15 CO 0.38 0.55 -0.47 1.56 -0.87 0.00 0.00 176.83 177.98 3dh2 h GLN 16 N 0.16 0.30 -0.28 4.77 7.50 -1.89 0.15 115.11 125.82 3dh2 h GLN 16 Ca 0.02 -0.16 -0.03 0.00 0.50 0.00 0.00 58.65 58.98 3dh2 h GLN 16 Cb 0.72 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.25 3dh2 h GLN 16 CO 0.05 0.71 0.07 0.00 -1.50 0.00 0.00 178.83 178.16 3dh2 h ALA 17 N 1.27 0.37 -0.35 3.87 0.00 -1.69 -0.64 119.26 122.08 3dh2 h ALA 17 Ca 0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3dh2 h ALA 17 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3dh2 h ALA 17 CO 0.08 0.03 -0.18 1.96 0.00 0.00 0.00 179.25 181.13 3dh2 h GLN 18 N 0.29 0.66 -0.11 0.00 4.20 -1.19 -1.63 115.11 117.33 3dh2 h GLN 18 Ca 0.09 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.60 3dh2 h GLN 18 Cb 0.29 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3dh2 h GLN 18 CO 0.00 0.80 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.40 3dh2 h ASP 19 N 0.59 -0.40 -0.89 1.46 3.32 -0.66 -2.29 116.42 117.55 3dh2 h ASP 19 Ca 0.09 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.27 3dh2 h ASP 19 Cb 0.64 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 3dh2 h ASP 19 CO 0.05 -0.17 0.56 0.74 -1.72 0.00 0.00 179.24 178.70 3dh2 h THR 20 N -0.16 1.09 -0.78 0.35 2.02 -0.81 -0.90 112.91 113.72 3dh2 h THR 20 Ca 0.08 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.96 3dh2 h THR 20 Cb 0.28 -0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.58 3dh2 h THR 20 CO -0.21 0.19 0.47 -0.07 0.37 0.00 0.00 175.52 176.28 3dh2 h LEU 21 N 1.06 0.74 -0.82 2.58 3.38 -1.04 0.15 115.31 121.36 3dh2 h LEU 21 Ca 0.37 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.25 3dh2 h LEU 21 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dh2 h LEU 21 CO -0.15 0.48 -0.37 0.00 0.09 0.00 0.00 178.44 178.48 3dh2 h ALA 22 N 1.38 0.99 -0.69 1.53 0.00 -0.84 -1.55 119.26 120.07 3dh2 h ALA 22 Ca 0.34 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3dh2 h ALA 22 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dh2 h ALA 22 CO -0.17 0.61 0.13 -0.07 0.00 0.00 0.00 179.25 179.75 3dh2 h LEU 23 N 0.37 1.08 -0.73 0.00 3.38 -0.29 -1.22 115.31 117.90 3dh2 h LEU 23 Ca 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3dh2 h LEU 23 Cb 0.83 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3dh2 h LEU 23 CO 0.07 1.05 0.34 0.40 0.09 0.00 0.00 178.44 180.39 3dh2 h ILE 24 N 1.06 1.24 -0.50 1.22 2.04 -0.80 0.46 117.51 122.23 3dh2 h ILE 24 Ca 0.21 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 3dh2 h ILE 24 Cb 0.42 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3dh2 h ILE 24 CO 0.01 0.29 -0.07 0.00 0.00 0.00 0.00 178.15 178.38 3dh2 h ALA 25 N 1.16 0.69 0.00 1.87 0.00 -0.99 -2.50 119.26 119.49 3dh2 h ALA 25 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dh2 h ALA 25 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3dh2 h ALA 25 CO -0.03 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.41 3dh2 n LYS 26 N -4.24 0.03 -3.25 0.00 5.02 -0.48 -4.94 118.16 110.30 3dh2 n LYS 26 Ca 0.01 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 3dh2 n LYS 26 Cb 0.37 -1.54 0.06 0.00 -0.02 0.00 0.00 35.03 33.89 3dh2 n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dh2 n ASN 27 N -1.60 -4.88 0.00 4.39 5.15 -0.11 -4.87 115.26 113.34 3dh2 n ASN 27 Ca 0.06 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 3dh2 n ASN 27 Cb 0.30 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.90 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 -1.53 -0.83 3.82 8.20 0.00 0.14 -4.90 105.19 110.10 3dh2 n GLY 28 Ca -0.00 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 3dh2 n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dh2 s PRO 29 N -0.83 4.10 -0.12 1.61 0.04 -1.26 -4.82 135.00 133.72 3dh2 s PRO 29 Ca 0.00 1.12 -0.06 0.00 0.04 0.00 0.00 61.00 62.10 3dh2 s PRO 29 Cb 0.00 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3dh2 s PRO 29 CO 0.00 -0.15 0.10 0.71 0.04 0.00 0.00 177.00 177.70 3dh2 s TYR 30 N -2.25 3.47 0.42 0.56 1.51 -1.26 -4.97 117.35 114.84 3dh2 s TYR 30 Ca 0.62 0.42 0.25 0.00 -1.01 0.00 0.00 57.07 57.36 3dh2 s TYR 30 Cb -0.10 -1.91 1.36 0.00 -0.11 0.00 0.00 41.96 41.20 3dh2 s TYR 30 CO 0.18 0.64 2.05 -1.00 -1.11 0.00 0.00 175.55 176.31 3dh2 h PRO 31 N 5.14 0.00 -6.09 -1.71 0.13 -1.99 -3.44 132.00 124.03 3dh2 h PRO 31 Ca -0.53 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.05 3dh2 h PRO 31 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 3dh2 h PRO 31 CO 0.58 0.13 -0.80 0.71 -0.23 0.00 0.00 178.00 178.40 3dh2 s TYR 32 N -4.26 1.90 -0.13 1.56 2.02 -1.26 -5.04 117.35 112.13 3dh2 s TYR 32 Ca -0.03 -0.44 0.22 0.00 -0.37 0.00 0.00 57.07 56.45 3dh2 s TYR 32 Cb 0.14 -0.96 0.53 0.00 -0.40 0.00 0.00 41.96 41.26 3dh2 s TYR 32 CO 0.61 0.34 1.66 -0.97 -1.57 0.00 0.00 175.55 175.61 3dh2 h ASN 33 N 3.39 0.00 1.51 2.29 -1.24 -2.04 -2.87 115.58 116.62 3dh2 h ASN 33 Ca -0.44 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.57 3dh2 h ASN 33 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 3dh2 h ASN 33 CO 0.48 0.22 0.00 0.03 -1.29 0.00 0.00 177.43 176.87 3dh2 h ARG 34 N 0.00 0.00 -6.55 6.67 3.08 -1.97 -3.46 114.38 112.15 3dh2 h ARG 34 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3dh2 h ARG 34 Cb 1.00 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.09 3dh2 h ARG 34 CO 0.03 0.00 1.05 -0.51 -1.07 0.00 0.00 179.97 179.47 3dh2 s ASP 35 N -5.34 6.45 0.00 7.04 -0.00 -1.09 -2.14 116.67 121.59 3dh2 s ASP 35 Ca 0.07 2.74 0.00 0.00 -0.00 0.00 0.00 52.55 55.36 3dh2 s ASP 35 Cb 0.09 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.43 3dh2 s ASP 35 CO 0.59 -0.97 0.00 0.61 -0.00 0.00 0.00 175.17 175.40 3dh2 n GLY 36 N 4.10 0.57 3.84 0.21 0.00 0.17 -5.00 105.19 109.08 3dh2 n GLY 36 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 4.52 0.26 1.61 -7.23 -0.91 -4.60 120.40 112.04 3dh2 s VAL 37 Ca 0.00 1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 61.10 3dh2 s VAL 37 Cb 0.00 -3.68 -0.14 0.00 0.56 0.00 0.00 36.38 33.13 3dh2 s VAL 37 CO 0.00 -0.52 1.25 0.52 -0.31 0.00 0.00 175.10 176.03 3dh2 n VAL 38 N -1.18 1.38 -3.56 1.32 0.31 -1.26 -1.27 118.33 114.08 3dh2 n VAL 38 Ca 0.06 -0.35 -0.39 0.00 -0.01 0.00 0.00 64.34 63.66 3dh2 n VAL 38 Cb 0.54 -1.26 -0.11 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.51 3.22 0.11 3.52 2.19 -0.50 -4.68 117.98 121.32 3dh2 s PHE 39 Ca 0.64 0.08 0.14 0.00 0.33 0.00 0.00 56.93 58.12 3dh2 s PHE 39 Cb -0.68 -2.42 0.29 0.00 -1.31 0.00 0.00 43.02 38.89 3dh2 s PHE 39 CO 0.55 -0.21 1.55 0.93 1.83 0.00 0.00 175.22 179.87 3dh2 h GLU 40 N 8.38 0.00 -2.95 10.12 3.07 -1.94 -3.39 114.58 127.87 3dh2 h GLU 40 Ca -0.34 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.23 3dh2 h GLU 40 Cb 1.18 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 29.12 3dh2 h GLU 40 CO 0.58 0.58 -0.41 -1.71 -1.40 0.00 0.00 179.01 176.65 3dh2 n ASN 41 N -3.48 -4.69 -0.14 1.42 5.15 -1.26 -4.93 115.26 107.33 3dh2 n ASN 41 Ca 0.00 -0.15 -0.09 0.00 -0.60 0.00 0.00 54.58 53.74 3dh2 n ASN 41 Cb 0.67 -3.63 -0.01 0.00 -0.53 0.00 0.00 39.78 36.28 3dh2 n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3dh2 h ARG 42 N -0.71 0.62 0.00 1.20 3.08 -1.99 -1.33 114.38 115.25 3dh2 h ARG 42 Ca -0.37 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3dh2 h ARG 42 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3dh2 h ARG 42 CO 0.40 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 180.27 3dh2 n GLU 43 N -4.63 0.13 -3.59 0.04 4.71 -1.26 -4.94 120.64 111.10 3dh2 n GLU 43 Ca 0.00 0.28 -0.22 0.00 -0.01 0.00 0.00 57.16 57.21 3dh2 n GLU 43 Cb 0.15 -1.71 0.05 0.00 -1.01 0.00 0.00 31.44 28.91 3dh2 n GLU 43 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3dh2 n SER 44 N -1.96 -3.04 0.01 1.62 2.88 -0.50 -4.88 113.62 107.75 3dh2 n SER 44 Ca 0.04 -0.82 0.13 0.00 -1.33 0.00 0.00 58.87 56.88 3dh2 n SER 44 Cb 0.27 -4.22 0.38 0.00 -0.75 0.00 0.00 64.21 59.89 3dh2 n SER 44 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3dh2 n ARG 45 N -4.05 0.04 -4.14 -1.46 1.74 -1.26 -4.81 116.66 102.73 3dh2 n ARG 45 Ca -0.22 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.61 3dh2 n ARG 45 Cb 0.65 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 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 -3.21 3.56 0.19 0.55 1.43 -1.26 -4.87 118.68 115.07 3dh2 s LEU 46 Ca 0.11 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 52.67 3dh2 s LEU 46 Cb 0.17 -2.21 -0.16 0.00 0.03 0.00 0.00 46.19 44.02 3dh2 s LEU 46 CO 0.64 0.10 0.96 -2.65 0.23 0.00 0.00 176.35 175.62 3dh2 n PRO 47 N -0.07 0.82 -1.69 1.29 -0.02 -1.26 -4.79 135.00 129.28 3dh2 n PRO 47 Ca -0.09 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 3dh2 n PRO 47 Cb 0.54 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.81 4.14 0.27 -0.52 2.47 -1.26 -4.97 119.74 119.07 3dh2 s LYS 48 Ca 0.69 2.59 0.04 0.00 -1.56 0.00 0.00 55.97 57.72 3dh2 s LYS 48 Cb -0.87 -4.14 -0.01 0.00 -1.46 0.00 0.00 37.83 31.35 3dh2 s LYS 48 CO 0.56 -0.95 0.13 1.63 0.16 0.00 0.00 175.35 176.88 3dh2 n LYS 49 N 7.48 0.57 -1.32 4.03 4.76 -1.26 -5.17 118.16 127.25 3dh2 n LYS 49 Ca 0.20 -2.39 -0.12 0.00 -2.87 0.00 0.00 58.31 53.13 3dh2 n LYS 49 Cb 0.41 1.48 0.07 0.00 -1.84 0.00 0.00 35.03 35.15 3dh2 n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dh2 n GLY 50 N -0.03 0.07 3.66 0.72 0.00 -1.26 -4.99 105.19 103.36 3dh2 n GLY 50 Ca -0.01 -1.89 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 3dh2 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dh2 n ASN 51 N -3.10 3.90 -0.01 1.61 3.02 -1.26 -2.93 115.26 116.49 3dh2 n ASN 51 Ca 0.08 0.90 -0.00 0.00 -0.03 0.00 0.00 54.58 55.53 3dh2 n ASN 51 Cb 0.27 -1.47 -0.00 0.00 -0.61 0.00 0.00 39.78 37.97 3dh2 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dh2 n GLY 52 N 4.56 0.47 0.31 7.41 0.00 -1.26 -4.94 105.19 111.74 3dh2 n GLY 52 Ca 0.21 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 1.08 -2.99 1.61 3.20 -1.87 -3.45 116.97 114.55 3dh2 h TYR 53 Ca -0.00 -0.08 -0.65 0.00 3.14 0.00 0.00 58.73 61.14 3dh2 h TYR 53 Cb 0.04 -0.32 -0.08 0.00 1.54 0.00 0.00 36.73 37.90 3dh2 h TYR 53 CO 0.02 0.84 -0.55 0.71 -1.64 0.00 0.00 178.16 177.55 3dh2 s TYR 54 N -5.54 3.38 0.03 -3.82 1.51 -1.26 -2.18 117.35 109.48 3dh2 s TYR 54 Ca -0.13 0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 3dh2 s TYR 54 Cb 0.14 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.20 3dh2 s TYR 54 CO 0.82 0.59 -0.04 -1.01 -1.11 0.00 0.00 175.55 174.79 3dh2 s HIS 55 N -1.26 0.41 0.02 2.71 3.76 -1.06 -1.41 115.29 118.47 3dh2 s HIS 55 Ca 0.25 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 3dh2 s HIS 55 Cb -0.12 -0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.27 3dh2 s HIS 55 CO 0.16 -0.18 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.79 3dh2 s GLU 56 N -1.84 1.81 -0.00 1.40 4.04 -0.39 -1.71 118.70 122.00 3dh2 s GLU 56 Ca -0.11 -1.00 0.04 0.00 0.04 0.00 0.00 54.97 53.93 3dh2 s GLU 56 Cb -0.08 -1.89 -0.01 0.00 0.02 0.00 0.00 34.13 32.17 3dh2 s GLU 56 CO -0.02 0.50 -0.12 -0.06 -1.84 0.00 0.00 175.26 173.72 3dh2 s PHE 57 N -0.72 1.05 0.25 4.83 0.08 -0.16 0.42 117.98 123.73 3dh2 s PHE 57 Ca 0.10 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 3dh2 s PHE 57 Cb -0.10 -0.67 -0.10 0.00 -0.57 0.00 0.00 43.02 41.59 3dh2 s PHE 57 CO 0.01 -0.01 1.41 0.99 -0.10 0.00 0.00 175.22 177.51 3dh2 s THR 58 N -0.38 2.74 -0.24 0.64 2.01 -1.26 -1.42 115.64 117.73 3dh2 s THR 58 Ca 0.04 0.63 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 3dh2 s THR 58 Cb -0.05 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3dh2 s THR 58 CO -0.00 0.11 0.09 -0.69 -0.69 0.00 0.00 174.62 173.44 3dh2 s VAL 59 N -0.14 4.63 0.13 3.82 1.01 0.08 -4.75 120.40 125.19 3dh2 s VAL 59 Ca 0.58 -0.07 -0.33 0.00 0.00 0.00 0.00 61.98 62.16 3dh2 s VAL 59 Cb -0.41 -3.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 3dh2 s VAL 59 CO 0.44 0.35 1.73 0.52 0.00 0.00 0.00 175.10 178.14 3dh2 n VAL 60 N 4.62 0.18 -3.33 2.92 0.31 -1.26 -4.30 118.33 117.46 3dh2 n VAL 60 Ca -0.16 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.76 3dh2 n VAL 60 Cb 0.52 -1.87 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 3dh2 n VAL 60 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3dh2 s THR 61 N 1.87 5.17 0.33 2.52 2.01 -1.26 -4.76 115.64 121.52 3dh2 s THR 61 Ca 0.80 0.81 0.09 0.00 0.31 0.00 0.00 61.69 63.71 3dh2 s THR 61 Cb -0.58 -3.77 0.32 0.00 0.01 0.00 0.00 72.50 68.48 3dh2 s THR 61 CO 0.38 0.23 1.79 -0.65 -0.69 0.00 0.00 174.62 175.68 3dh2 h PRO 62 N 7.35 0.65 0.00 4.92 0.11 -1.99 -1.61 132.00 141.42 3dh2 h PRO 62 Ca -0.36 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 3dh2 h PRO 62 Cb 1.16 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3dh2 h PRO 62 CO 0.73 0.43 -0.40 0.78 -0.21 0.00 0.00 178.00 179.32 3dh2 h GLY 63 N 0.66 0.00 -3.86 -0.55 0.00 -1.99 -3.47 103.07 93.86 3dh2 h GLY 63 Ca 0.56 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.39 3dh2 h GLY 63 CO -0.34 0.00 0.34 -0.45 0.00 0.00 0.00 176.54 176.09 3dh2 s SER 64 N -6.47 7.60 0.00 0.19 0.15 -0.61 -4.95 113.70 109.61 3dh2 s SER 64 Ca 0.00 1.89 0.15 0.00 0.70 0.00 0.00 55.95 58.69 3dh2 s SER 64 Cb 0.11 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.15 3dh2 s SER 64 CO 0.70 0.12 1.23 -0.46 1.20 0.00 0.00 173.24 176.03 3dh2 n ASN 65 N 1.75 2.95 -4.67 5.45 0.23 -1.26 -4.92 115.26 114.79 3dh2 n ASN 65 Ca -0.02 -1.88 -0.25 0.00 -0.53 0.00 0.00 54.58 51.91 3dh2 n ASN 65 Cb 0.48 -0.21 -0.08 0.00 -2.08 0.00 0.00 39.78 37.88 3dh2 n ASN 65 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3dh2 s ASP 66 N -1.10 4.28 0.51 0.53 1.47 -1.26 -5.03 116.67 116.08 3dh2 s ASP 66 Ca 0.27 -1.01 0.37 0.00 1.18 0.00 0.00 52.55 53.36 3dh2 s ASP 66 Cb 0.15 -0.54 1.52 0.00 -0.34 0.00 0.00 42.92 43.71 3dh2 s ASP 66 CO 0.21 -0.33 1.72 0.03 0.68 0.00 0.00 175.17 177.48 3dh2 h ARG 67 N 1.69 0.06 0.00 2.11 3.08 -1.97 -3.46 114.38 115.89 3dh2 h ARG 67 Ca -0.43 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3dh2 h ARG 67 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3dh2 h ARG 67 CO 0.68 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 180.03 3dh2 n GLY 68 N -1.73 -1.63 0.07 0.04 0.00 -1.26 -4.54 105.19 96.15 3dh2 n GLY 68 Ca 0.32 -1.29 0.01 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.43 0.85 -2.19 2.61 -2.24 -1.26 -4.96 114.28 106.66 3dh2 n THR 69 Ca 0.00 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 3dh2 n THR 69 Cb 0.00 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 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 -3.01 4.33 0.10 -0.78 0.52 -1.26 -1.03 118.95 117.83 3dh2 s ARG 70 Ca -0.06 2.06 0.03 0.00 -0.52 0.00 0.00 55.73 57.23 3dh2 s ARG 70 Cb 0.10 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 3dh2 s ARG 70 CO 0.85 -0.41 -0.08 1.03 0.02 0.00 0.00 175.30 176.70 3dh2 s ARG 71 N 1.00 0.84 -0.09 3.54 1.81 -0.09 -0.74 118.95 125.23 3dh2 s ARG 71 Ca 0.64 -1.24 0.02 0.00 -1.72 0.00 0.00 55.73 53.42 3dh2 s ARG 71 Cb -0.36 -0.36 -0.02 0.00 -0.45 0.00 0.00 34.95 33.76 3dh2 s ARG 71 CO 0.31 0.03 -0.13 0.08 -0.68 0.00 0.00 175.30 174.91 3dh2 s VAL 72 N -3.04 3.14 -0.11 3.52 1.01 -0.51 -1.34 120.40 123.08 3dh2 s VAL 72 Ca 0.09 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3dh2 s VAL 72 Cb 0.01 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3dh2 s VAL 72 CO -0.02 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 3dh2 s VAL 73 N -0.28 2.55 0.19 2.92 1.01 0.46 -0.99 120.40 126.27 3dh2 s VAL 73 Ca 0.02 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3dh2 s VAL 73 Cb -0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3dh2 s VAL 73 CO 0.03 0.55 0.13 0.42 0.00 0.00 0.00 175.10 176.23 3dh2 s THR 74 N 0.27 4.36 0.41 3.92 -4.23 -0.69 0.01 115.64 119.68 3dh2 s THR 74 Ca -0.13 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 3dh2 s THR 74 Cb -0.16 -3.26 -0.06 0.00 1.34 0.00 0.00 72.50 70.36 3dh2 s THR 74 CO 0.07 -0.18 0.14 -0.83 -0.54 0.00 0.00 174.62 173.27 3dh2 s GLY 75 N -3.31 2.39 0.55 3.99 0.00 0.35 -2.57 107.32 108.72 3dh2 s GLY 75 Ca 0.31 -2.14 0.37 0.00 0.00 0.00 0.00 44.72 43.26 3dh2 s GLY 75 CO 0.23 -1.96 2.13 -1.33 0.00 0.00 0.00 173.10 172.17 3dh2 h GLY 76 N 1.51 0.00 -0.35 0.20 0.00 -1.77 -0.16 103.07 102.49 3dh2 h GLY 76 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3dh2 h GLY 76 CO 0.73 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.55 3dh2 n TYR 77 N -2.80 0.19 -0.95 5.60 4.01 -1.26 -4.96 117.16 116.98 3dh2 n TYR 77 Ca -0.02 -0.84 0.00 0.00 -0.16 0.00 0.00 57.90 56.88 3dh2 n TYR 77 Cb 0.06 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 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 -0.95 0.56 3.72 2.72 0.00 -0.07 -5.05 105.19 106.11 3dh2 n GLY 78 Ca 0.13 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.40 2.09 -4.52 1.61 4.71 -1.25 -4.79 120.64 116.09 3dh2 n GLU 79 Ca 0.00 0.74 -0.25 0.00 -0.01 0.00 0.00 57.16 57.64 3dh2 n GLU 79 Cb 0.08 -2.43 -0.17 0.00 -1.01 0.00 0.00 31.44 27.92 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 -2.15 1.75 -0.01 3.49 -0.21 -1.26 -0.49 119.66 120.78 3dh2 s GLN 80 Ca 0.59 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.60 3dh2 s GLN 80 Cb -0.51 -1.48 -0.01 0.00 1.00 0.00 0.00 33.01 32.00 3dh2 s GLN 80 CO 0.59 -0.01 -0.17 0.71 -2.12 0.00 0.00 175.29 174.30 3dh2 s TYR 81 N 0.79 1.51 -0.12 0.91 1.51 0.10 -1.67 117.35 120.39 3dh2 s TYR 81 Ca -0.12 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 3dh2 s TYR 81 Cb -0.15 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 3dh2 s TYR 81 CO 0.02 -0.02 0.01 -0.46 -1.11 0.00 0.00 175.55 173.99 3dh2 s TRP 82 N -0.42 3.16 -0.14 2.71 -0.11 0.61 -0.41 118.94 124.34 3dh2 s TRP 82 Ca 0.06 0.08 -0.01 0.00 1.22 0.00 0.00 56.10 57.46 3dh2 s TRP 82 Cb -0.07 -1.87 0.04 0.00 -1.50 0.00 0.00 33.47 30.07 3dh2 s TRP 82 CO -0.01 0.32 -0.05 0.45 -4.62 0.00 0.00 176.95 173.05 3dh2 s SER 83 N -0.43 2.52 0.00 5.86 0.15 -0.45 0.43 113.70 121.78 3dh2 s SER 83 Ca 0.08 -0.51 0.30 0.00 0.70 0.00 0.00 55.95 56.52 3dh2 s SER 83 Cb -0.12 -0.83 1.45 0.00 -1.71 0.00 0.00 66.02 64.81 3dh2 s SER 83 CO 0.02 -0.17 1.98 -0.81 1.20 0.00 0.00 173.24 175.46 3dh2 n PRO 84 N 4.93 0.91 -2.74 5.44 -0.04 -1.26 -0.91 135.00 141.34 3dh2 n PRO 84 Ca -0.11 -0.25 -0.05 0.00 -0.04 0.00 0.00 63.50 63.05 3dh2 n PRO 84 Cb 0.49 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3dh2 n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dh2 n ASP 85 N -0.83 1.67 -3.93 3.54 5.68 -1.26 -4.08 116.55 117.35 3dh2 n ASP 85 Ca 0.18 -2.39 -0.32 0.00 -0.50 0.00 0.00 54.79 51.76 3dh2 n ASP 85 Cb 0.23 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 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 -0.37 -1.64 -2.49 2.11 -0.00 -0.19 -2.25 115.22 110.38 3dh2 n HIS 86 Ca 0.09 0.50 -0.15 0.00 -0.00 0.00 0.00 57.72 58.17 3dh2 n HIS 86 Cb 0.81 -3.36 0.01 0.00 -0.00 0.00 0.00 29.99 27.45 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 -4.48 -0.98 0.10 1.57 4.01 -1.26 -4.93 117.16 111.19 3dh2 n TYR 87 Ca -0.20 0.15 -0.23 0.00 -0.16 0.00 0.00 57.90 57.46 3dh2 n TYR 87 Cb 0.63 -3.25 -0.15 0.00 -0.31 0.00 0.00 39.34 36.26 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 0.70 0.03 -2.70 -0.72 0.00 -1.87 -3.47 119.26 111.23 3dh2 h ALA 88 Ca -0.36 -1.01 -0.29 0.00 0.00 0.00 0.00 54.91 53.24 3dh2 h ALA 88 Cb 1.26 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 19.18 3dh2 h ALA 88 CO 0.41 0.90 -0.73 0.95 0.00 0.00 0.00 179.25 180.78 3dh2 s THR 89 N -2.59 0.83 0.01 0.00 -4.23 -1.26 -5.11 115.64 103.29 3dh2 s THR 89 Ca -0.12 -1.61 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 3dh2 s THR 89 Cb 0.05 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3dh2 s THR 89 CO 0.89 -0.59 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.77 3dh2 s PHE 90 N -2.50 2.27 -0.04 3.99 0.40 -1.26 -4.43 117.98 116.41 3dh2 s PHE 90 Ca 0.04 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3dh2 s PHE 90 Cb -0.02 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 3dh2 s PHE 90 CO -0.01 0.05 -0.09 -0.65 0.70 0.00 0.00 175.22 175.22 3dh2 s GLN 91 N -0.93 2.62 -0.06 0.44 -0.21 0.17 -4.13 119.66 117.55 3dh2 s GLN 91 Ca 0.11 -0.64 -0.23 0.00 0.02 0.00 0.00 55.36 54.62 3dh2 s GLN 91 Cb -0.10 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 3dh2 s GLN 91 CO 0.01 0.64 0.68 -2.00 -2.12 0.00 0.00 175.29 172.50 3dh2 s GLU 92 N -0.96 4.43 -0.13 2.91 2.12 0.92 -0.29 118.70 127.71 3dh2 s GLU 92 Ca 0.13 0.85 -0.21 0.00 0.36 0.00 0.00 54.97 56.11 3dh2 s GLU 92 Cb -0.11 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 3dh2 s GLU 92 CO 0.03 0.10 0.60 0.42 -0.54 0.00 0.00 175.26 175.86 3dh2 s ILE 93 N 0.69 5.09 -0.47 -3.70 1.01 -0.67 -1.64 121.20 121.51 3dh2 s ILE 93 Ca 0.36 1.18 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 3dh2 s ILE 93 Cb -0.18 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.42 3dh2 s ILE 93 CO 0.18 0.23 0.49 -0.62 0.00 0.00 0.00 174.94 175.23 3dh2 s ASP 94 N 0.87 6.19 0.00 3.58 -1.08 0.25 -4.71 116.67 121.77 3dh2 s ASP 94 Ca 0.30 -0.99 0.16 0.00 -0.52 0.00 0.00 52.55 51.50 3dh2 s ASP 94 Cb -0.16 -2.24 0.94 0.00 -1.46 0.00 0.00 42.92 40.00 3dh2 s ASP 94 CO 0.13 -0.72 1.58 -0.81 0.52 0.00 0.00 175.17 175.86 3dh2 n PRO 95 N 5.69 0.96 0.00 4.34 -0.04 -1.26 -1.57 135.00 143.12 3dh2 n PRO 95 Ca -0.09 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.47 3dh2 n PRO 95 Cb 0.45 -1.26 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.76 0.55 0.00 0.54 1.74 -1.26 -4.89 116.66 112.58 3dh2 n ARG 96 Ca 0.12 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3dh2 n ARG 96 Cb 0.05 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3dh2 n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11