#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgy s LEU 5 N 0.00 4.33 0.49 0.00 1.43 -1.26 -5.11 118.68 118.56 3dgy s LEU 5 Ca 0.00 0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 3dgy s LEU 5 Cb 0.00 -2.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.21 3dgy s LEU 5 CO 0.00 0.17 1.11 0.00 0.23 0.00 0.00 176.35 177.86 3dgy s ALA 6 N -1.45 2.87 0.19 4.21 0.00 -1.26 -4.76 121.76 121.56 3dgy s ALA 6 Ca 0.33 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 3dgy s ALA 6 Cb -0.13 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3dgy s ALA 6 CO 0.21 -0.56 0.42 -0.51 0.00 0.00 0.00 175.76 175.32 3dgy s ASP 7 N -1.68 6.45 -0.02 0.00 1.01 -1.26 -0.55 116.67 120.62 3dgy s ASP 7 Ca 0.67 0.55 0.01 0.00 0.71 0.00 0.00 52.55 54.49 3dgy s ASP 7 Cb -0.23 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.64 3dgy s ASP 7 CO 0.28 -0.03 -0.02 0.54 0.21 0.00 0.00 175.17 176.14 3dgy s VAL 8 N -1.81 0.27 0.24 -1.27 0.11 -0.66 -4.89 120.40 112.39 3dgy s VAL 8 Ca 0.41 -0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 59.10 3dgy s VAL 8 Cb -0.11 -0.29 -0.10 0.00 -1.53 0.00 0.00 36.38 34.35 3dgy s VAL 8 CO 0.27 0.12 1.37 0.00 -3.33 0.00 0.00 175.10 173.53 3dgy h ARG 10 N 5.00 0.73 0.00 0.00 1.12 -0.85 -1.66 114.38 118.71 3dgy h ARG 10 Ca -0.46 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 3dgy h ARG 10 Cb 1.22 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3dgy h ARG 10 CO 0.76 0.48 0.00 0.25 -3.11 0.00 0.00 179.97 178.35 3dgy n THR 11 N -4.78 0.81 1.00 0.20 -2.24 -0.62 -2.35 114.28 106.30 3dgy n THR 11 Ca 0.19 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.26 3dgy n THR 11 Cb 0.46 -1.06 0.12 0.00 -2.10 0.00 0.00 70.33 67.75 3dgy n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dgy n LYS 12 N -2.09 0.00 -1.84 -0.78 4.76 -0.63 -4.94 118.16 112.64 3dgy n LYS 12 Ca 0.03 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.13 3dgy n LYS 12 Cb 0.24 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.97 3dgy n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dgy s LEU 13 N -3.00 3.47 0.46 -0.35 1.43 -0.99 -4.98 118.68 114.71 3dgy s LEU 13 Ca 0.10 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 55.06 3dgy s LEU 13 Cb 0.17 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.72 3dgy s LEU 13 CO 0.76 -1.60 0.61 -2.65 0.23 0.00 0.00 176.35 173.71 3dgy n PRO 14 N -2.18 0.68 -0.35 1.29 -0.02 -1.26 -4.77 135.00 128.38 3dgy n PRO 14 Ca 0.11 0.25 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 3dgy n PRO 14 Cb 0.52 -1.64 0.28 0.00 -0.02 0.00 0.00 33.50 32.63 3dgy n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dgy h SER 15 N 0.77 0.83 -0.24 2.55 4.64 -1.96 -0.74 113.55 119.39 3dgy h SER 15 Ca -0.42 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 3dgy h SER 15 Cb 1.39 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 3dgy h SER 15 CO 0.51 0.36 -0.10 1.56 -0.87 0.00 0.00 176.83 178.30 3dgy h GLN 16 N 0.85 0.63 -0.62 4.77 7.50 -1.89 0.64 115.11 127.00 3dgy h GLN 16 Ca 0.54 -0.19 -0.07 0.00 0.50 0.00 0.00 58.65 59.43 3dgy h GLN 16 Cb 0.71 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.15 3dgy h GLN 16 CO -0.33 0.72 0.13 0.00 -1.50 0.00 0.00 178.83 177.86 3dgy h ALA 17 N 1.31 0.82 -0.56 3.87 0.00 -1.49 -1.86 119.26 121.35 3dgy h ALA 17 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3dgy h ALA 17 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3dgy h ALA 17 CO 0.03 0.55 -0.06 1.96 0.00 0.00 0.00 179.25 181.73 3dgy h GLN 18 N 0.92 1.01 -0.49 0.00 4.20 -0.86 -1.66 115.11 118.24 3dgy h GLN 18 Ca 0.19 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 58.64 3dgy h GLN 18 Cb 0.38 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3dgy h GLN 18 CO 0.01 1.03 0.08 -0.44 -0.67 0.00 0.00 178.83 178.83 3dgy h ASP 19 N 0.91 -0.03 -0.54 1.46 3.32 -0.63 -1.39 116.42 119.52 3dgy h ASP 19 Ca 0.15 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3dgy h ASP 19 Cb 0.61 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3dgy h ASP 19 CO 0.04 0.01 0.31 0.74 -1.72 0.00 0.00 179.24 178.62 3dgy h THR 20 N 0.21 1.17 -1.00 0.35 2.02 -0.87 -1.20 112.91 113.59 3dgy h THR 20 Ca 0.24 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3dgy h THR 20 Cb 0.33 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 3dgy h THR 20 CO -0.33 0.18 0.65 -0.07 0.37 0.00 0.00 175.52 176.32 3dgy h LEU 21 N 0.73 1.05 -0.59 2.58 3.38 -0.80 -0.61 115.31 121.04 3dgy h LEU 21 Ca 0.19 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3dgy h LEU 21 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3dgy h LEU 21 CO -0.03 0.67 -0.14 0.00 0.09 0.00 0.00 178.44 179.03 3dgy h ALA 22 N 1.45 0.78 -0.49 1.53 0.00 -0.85 -1.78 119.26 119.91 3dgy h ALA 22 Ca 0.43 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3dgy h ALA 22 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dgy h ALA 22 CO -0.17 0.66 -0.21 -0.07 0.00 0.00 0.00 179.25 179.47 3dgy h LEU 23 N 0.87 1.03 -0.55 0.00 3.38 -0.74 -2.10 115.31 117.19 3dgy h LEU 23 Ca 0.13 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.76 3dgy h LEU 23 Cb 0.70 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3dgy h LEU 23 CO 0.05 1.19 0.28 0.40 0.09 0.00 0.00 178.44 180.45 3dgy h ILE 24 N 0.86 0.95 -0.12 1.22 2.04 -1.00 0.46 117.51 121.92 3dgy h ILE 24 Ca 0.11 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3dgy h ILE 24 Cb 0.79 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3dgy h ILE 24 CO 0.07 0.10 -0.11 0.00 0.00 0.00 0.00 178.15 178.20 3dgy h ALA 25 N 1.30 1.59 -0.01 1.87 0.00 -1.07 -1.33 119.26 121.61 3dgy h ALA 25 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dgy h ALA 25 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dgy h ALA 25 CO -0.17 0.30 -0.09 1.63 0.00 0.00 0.00 179.25 180.92 3dgy n LYS 26 N -4.31 1.03 -3.69 0.00 5.02 -0.78 -4.96 118.16 110.47 3dgy n LYS 26 Ca -0.01 -0.45 -0.25 0.00 -2.02 0.00 0.00 58.31 55.58 3dgy n LYS 26 Cb 0.24 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3dgy n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dgy n ASN 27 N -0.59 -4.86 0.00 4.39 5.15 -0.36 -4.76 115.26 114.24 3dgy n ASN 27 Ca 0.17 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 3dgy n ASN 27 Cb 0.29 -4.60 0.00 0.00 -0.53 0.00 0.00 39.78 34.94 3dgy n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dgy n GLY 28 N -1.76 -0.36 3.73 8.20 0.00 0.01 -4.80 105.19 110.19 3dgy n GLY 28 Ca -0.05 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 3dgy n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dgy n PRO 29 N 0.00 2.11 -3.58 1.61 -0.02 -1.26 -5.00 135.00 128.85 3dgy n PRO 29 Ca 0.00 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 3dgy n PRO 29 Cb 0.00 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 30.95 3dgy n PRO 29 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dgy s TYR 30 N -1.18 3.47 0.11 6.00 1.51 -1.26 -5.03 117.35 120.97 3dgy s TYR 30 Ca 0.60 0.57 0.22 0.00 -1.01 0.00 0.00 57.07 57.45 3dgy s TYR 30 Cb -0.49 -2.03 0.79 0.00 -0.11 0.00 0.00 41.96 40.13 3dgy s TYR 30 CO 0.59 0.36 1.77 -1.00 -1.11 0.00 0.00 175.55 176.16 3dgy h PRO 31 N 2.43 0.00 -6.69 -1.71 0.13 -1.99 -3.45 132.00 120.72 3dgy h PRO 31 Ca -0.47 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.97 3dgy h PRO 31 Cb 1.17 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 3dgy h PRO 31 CO 0.70 0.28 -0.86 0.71 -0.23 0.00 0.00 178.00 178.60 3dgy s TYR 32 N -3.59 2.40 0.38 1.56 2.02 -1.26 -5.03 117.35 113.82 3dgy s TYR 32 Ca 0.01 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 3dgy s TYR 32 Cb 0.10 -1.41 0.77 0.00 -0.40 0.00 0.00 41.96 41.02 3dgy s TYR 32 CO 0.66 0.17 2.00 -0.91 -1.57 0.00 0.00 175.55 175.90 3dgy h ASN 33 N 4.69 0.60 -0.02 2.29 2.35 -2.05 -2.22 115.58 121.22 3dgy h ASN 33 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3dgy h ASN 33 Cb 1.15 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3dgy h ASN 33 CO 0.45 0.41 0.00 0.54 -1.65 0.00 0.00 177.43 177.18 3dgy n ARG 34 N -4.47 1.21 -1.94 0.81 1.74 -1.26 -4.83 116.66 107.92 3dgy n ARG 34 Ca 0.07 -0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 3dgy n ARG 34 Cb 0.15 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 3dgy n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dgy s ASP 35 N -1.86 6.60 0.00 0.55 -0.00 -0.84 -2.52 116.67 118.60 3dgy s ASP 35 Ca 0.40 2.56 0.00 0.00 -0.00 0.00 0.00 52.55 55.50 3dgy s ASP 35 Cb 0.19 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.53 3dgy s ASP 35 CO 0.32 -0.84 0.00 0.61 -0.00 0.00 0.00 175.17 175.26 3dgy n GLY 36 N 3.83 0.62 3.77 0.21 0.00 0.57 -5.01 105.19 109.18 3dgy n GLY 36 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3dgy n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dgy s VAL 37 N -2.46 3.20 0.31 1.61 1.01 -1.05 -4.65 120.40 118.38 3dgy s VAL 37 Ca 0.00 0.89 -0.28 0.00 0.00 0.00 0.00 61.98 62.59 3dgy s VAL 37 Cb 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.81 3dgy s VAL 37 CO 0.00 -0.03 1.20 0.52 0.00 0.00 0.00 175.10 176.80 3dgy n VAL 38 N -0.51 1.91 -3.89 2.92 0.31 -1.26 -1.11 118.33 116.71 3dgy n VAL 38 Ca 0.07 -0.48 -0.36 0.00 -0.01 0.00 0.00 64.34 63.57 3dgy n VAL 38 Cb 0.49 -1.36 -0.13 0.00 -0.91 0.00 0.00 33.84 31.92 3dgy n VAL 38 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3dgy s PHE 39 N -1.00 3.04 -1.13 3.52 2.19 0.02 -4.73 117.98 119.89 3dgy s PHE 39 Ca 0.58 -0.56 0.27 0.00 0.33 0.00 0.00 56.93 57.54 3dgy s PHE 39 Cb -0.62 -2.16 0.80 0.00 -1.31 0.00 0.00 43.02 39.73 3dgy s PHE 39 CO 0.61 -0.37 1.61 0.39 1.83 0.00 0.00 175.22 179.29 3dgy n GLU 40 N 4.68 0.14 -3.67 10.12 1.02 -1.26 -4.24 120.64 127.44 3dgy n GLU 40 Ca -0.17 -0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.66 3dgy n GLU 40 Cb 0.51 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.50 3dgy n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3dgy n ASN 41 N -1.37 -4.97 0.26 1.62 5.15 -1.26 -4.85 115.26 109.83 3dgy n ASN 41 Ca 0.07 -0.63 0.12 0.00 -0.60 0.00 0.00 54.58 53.54 3dgy n ASN 41 Cb 0.33 -4.68 0.69 0.00 -0.53 0.00 0.00 39.78 35.59 3dgy n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3dgy h ARG 42 N -2.38 0.00 -0.18 1.20 2.47 -1.99 -1.11 114.38 112.39 3dgy h ARG 42 Ca -0.58 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 3dgy h ARG 42 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 3dgy h ARG 42 CO 0.58 0.13 0.00 0.39 0.56 0.00 0.00 179.97 181.64 3dgy n GLU 43 N -3.70 1.77 -3.09 0.04 4.71 -1.26 -4.94 120.64 114.18 3dgy n GLU 43 Ca -0.02 -1.16 -0.21 0.00 -0.01 0.00 0.00 57.16 55.76 3dgy n GLU 43 Cb 0.25 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 3dgy n GLU 43 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3dgy n SER 44 N 0.39 -4.35 0.10 1.62 7.64 -0.42 -4.87 113.62 113.73 3dgy n SER 44 Ca 0.16 -0.24 -0.04 0.00 1.01 0.00 0.00 58.87 59.76 3dgy n SER 44 Cb 0.34 -3.59 0.04 0.00 -1.01 0.00 0.00 64.21 59.99 3dgy n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3dgy h ARG 45 N -0.87 0.01 -6.47 1.43 3.08 -1.92 -3.44 114.38 106.20 3dgy h ARG 45 Ca -0.43 -0.01 -0.47 0.00 0.07 0.00 0.00 59.98 59.14 3dgy h ARG 45 Cb 1.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.36 3dgy h ARG 45 CO 0.51 0.79 -0.23 -0.51 -1.07 0.00 0.00 179.97 179.45 3dgy s LEU 46 N -7.25 4.01 0.14 3.04 1.43 -1.26 -4.96 118.68 113.83 3dgy s LEU 46 Ca -0.00 0.30 -0.34 0.00 -1.03 0.00 0.00 54.13 53.06 3dgy s LEU 46 Cb 0.11 -3.16 -0.16 0.00 0.03 0.00 0.00 46.19 43.01 3dgy s LEU 46 CO 0.79 -0.33 1.22 -2.65 0.23 0.00 0.00 176.35 175.61 3dgy n PRO 47 N -1.75 1.15 -2.17 1.29 -0.02 -1.26 -4.89 135.00 127.35 3dgy n PRO 47 Ca -0.04 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3dgy n PRO 47 Cb 0.57 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 3dgy n PRO 47 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3dgy s LYS 48 N -0.11 4.29 0.34 -0.52 1.02 -1.26 -5.00 119.74 118.51 3dgy s LYS 48 Ca 0.77 2.05 0.08 0.00 0.02 0.00 0.00 55.97 58.89 3dgy s LYS 48 Cb -0.89 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 32.97 3dgy s LYS 48 CO 0.50 -0.53 0.28 0.15 -0.92 0.00 0.00 175.35 174.84 3dgy s LYS 49 N 1.82 1.80 0.94 1.68 -0.14 -1.26 -5.17 119.74 119.40 3dgy s LYS 49 Ca 0.65 -2.06 -0.15 0.00 -1.36 0.00 0.00 55.97 53.06 3dgy s LYS 49 Cb -0.35 0.27 0.17 0.00 -1.68 0.00 0.00 37.83 36.24 3dgy s LYS 49 CO 0.29 -0.66 1.23 0.20 -0.76 0.00 0.00 175.35 175.66 3dgy s GLY 50 N -3.40 1.68 0.38 -3.33 0.00 -1.26 -4.96 107.32 96.43 3dgy s GLY 50 Ca 0.40 -0.92 -0.27 0.00 0.00 0.00 0.00 44.72 43.92 3dgy s GLY 50 CO 0.28 -0.25 1.35 -1.31 0.00 0.00 0.00 173.10 173.17 3dgy s ASN 51 N -4.57 6.42 0.00 1.64 -0.87 -1.26 -2.78 114.94 113.52 3dgy s ASN 51 Ca 0.69 2.77 0.00 0.00 -1.57 0.00 0.00 52.86 54.75 3dgy s ASN 51 Cb -0.08 -2.65 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 3dgy s ASN 51 CO 0.52 -0.79 0.00 0.61 -2.57 0.00 0.00 177.10 174.88 3dgy n GLY 52 N 0.66 0.56 0.27 0.66 0.00 -1.26 -4.93 105.19 101.15 3dgy n GLY 52 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 3dgy n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dgy h TYR 53 N 0.00 0.89 -3.58 1.61 3.20 -1.83 -3.45 116.97 113.81 3dgy h TYR 53 Ca 0.00 -0.19 -0.67 0.00 3.14 0.00 0.00 58.73 61.01 3dgy h TYR 53 Cb 0.04 -0.22 -0.16 0.00 1.54 0.00 0.00 36.73 37.92 3dgy h TYR 53 CO 0.02 0.91 -0.71 0.71 -1.64 0.00 0.00 178.16 177.46 3dgy s TYR 54 N -4.68 2.86 0.05 -3.82 1.51 -1.26 -1.54 117.35 110.47 3dgy s TYR 54 Ca -0.09 -0.07 0.02 0.00 -1.01 0.00 0.00 57.07 55.92 3dgy s TYR 54 Cb 0.13 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 3dgy s TYR 54 CO 0.83 0.39 -0.08 -1.01 -1.11 0.00 0.00 175.55 174.58 3dgy s HIS 55 N -1.07 0.73 0.06 2.71 3.76 -0.78 -0.80 115.29 119.89 3dgy s HIS 55 Ca 0.19 -0.58 0.08 0.00 -0.15 0.00 0.00 55.06 54.59 3dgy s HIS 55 Cb -0.11 -0.43 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 3dgy s HIS 55 CO 0.10 -0.09 -0.18 -1.83 -0.85 0.00 0.00 174.74 171.89 3dgy s GLU 56 N -2.04 2.00 -0.01 1.40 4.04 -0.27 -0.85 118.70 122.97 3dgy s GLU 56 Ca -0.05 -1.03 0.01 0.00 0.04 0.00 0.00 54.97 53.94 3dgy s GLU 56 Cb -0.07 -2.17 -0.00 0.00 0.02 0.00 0.00 34.13 31.91 3dgy s GLU 56 CO -0.01 0.52 -0.04 -0.06 -1.84 0.00 0.00 175.26 173.84 3dgy s PHE 57 N -0.99 0.42 0.20 4.83 0.08 0.16 -0.31 117.98 122.36 3dgy s PHE 57 Ca 0.16 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.83 3dgy s PHE 57 Cb -0.11 -0.29 -0.09 0.00 -0.57 0.00 0.00 43.02 41.97 3dgy s PHE 57 CO 0.07 -0.02 1.27 0.99 -0.10 0.00 0.00 175.22 177.43 3dgy s THR 58 N 0.02 3.29 -0.33 0.64 2.01 -1.26 -0.78 115.64 119.23 3dgy s THR 58 Ca 0.00 1.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.96 3dgy s THR 58 Cb -0.03 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 3dgy s THR 58 CO -0.00 0.17 0.23 -0.69 -0.69 0.00 0.00 174.62 173.64 3dgy s VAL 59 N -0.03 5.25 0.36 3.82 1.01 -0.07 -4.80 120.40 125.95 3dgy s VAL 59 Ca 0.55 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 3dgy s VAL 59 Cb -0.35 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 3dgy s VAL 59 CO 0.39 0.03 1.50 0.52 0.00 0.00 0.00 175.10 177.54 3dgy n VAL 60 N 5.09 1.82 -4.06 2.92 0.31 -1.26 -4.36 118.33 118.80 3dgy n VAL 60 Ca -0.13 -0.46 -0.33 0.00 -0.01 0.00 0.00 64.34 63.41 3dgy n VAL 60 Cb 0.50 -1.97 -0.15 0.00 -0.91 0.00 0.00 33.84 31.31 3dgy n VAL 60 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3dgy s THR 61 N -0.92 2.37 0.26 2.52 2.01 -1.26 -4.85 115.64 115.77 3dgy s THR 61 Ca 0.55 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 3dgy s THR 61 Cb -0.48 -2.10 -0.14 0.00 0.01 0.00 0.00 72.50 69.79 3dgy s THR 61 CO 0.61 0.39 1.14 -2.65 -0.69 0.00 0.00 174.62 173.42 3dgy n PRO 62 N 4.62 1.50 -1.87 4.92 -0.02 -1.26 -4.93 135.00 137.96 3dgy n PRO 62 Ca -0.19 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 3dgy n PRO 62 Cb 0.48 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3dgy n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dgy n GLY 63 N 1.51 -0.77 1.38 -1.23 0.00 -1.26 -5.15 105.19 99.68 3dgy n GLY 63 Ca 0.11 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.36 3dgy n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dgy n ASP 66 N -0.66 -6.51 -0.03 1.61 2.03 -1.26 -4.96 116.55 106.76 3dgy n ASP 66 Ca 0.02 1.35 -0.02 0.00 0.52 0.00 0.00 54.79 56.66 3dgy n ASP 66 Cb 0.23 -4.36 0.23 0.00 -0.72 0.00 0.00 41.12 36.49 3dgy n ASP 66 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3dgy h ARG 67 N -0.53 0.60 0.00 -0.67 2.43 -2.01 -3.46 114.38 110.74 3dgy h ARG 67 Ca -0.07 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3dgy h ARG 67 Cb 0.92 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3dgy h ARG 67 CO 0.03 0.67 0.00 0.41 -1.51 0.00 0.00 179.97 179.57 3dgy n GLY 68 N -0.66 -2.77 0.65 2.80 0.00 -1.26 -4.36 105.19 99.59 3dgy n GLY 68 Ca 0.01 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.38 3dgy n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dgy n THR 69 N -0.43 0.00 -3.19 2.61 -2.24 -1.26 -5.00 114.28 104.77 3dgy n THR 69 Ca 0.00 -0.44 -0.39 0.00 -2.27 0.00 0.00 64.05 60.96 3dgy n THR 69 Cb 0.00 1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 3dgy n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dgy s ARG 70 N -1.77 4.31 0.00 -0.78 0.52 -1.25 -0.89 118.95 119.09 3dgy s ARG 70 Ca 0.20 0.82 -0.09 0.00 -0.52 0.00 0.00 55.73 56.14 3dgy s ARG 70 Cb 0.16 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.36 3dgy s ARG 70 CO 0.31 0.54 0.18 1.03 0.02 0.00 0.00 175.30 177.39 3dgy s ARG 71 N -0.84 0.55 -0.11 3.54 1.81 0.59 -0.89 118.95 123.61 3dgy s ARG 71 Ca 0.31 -0.37 -0.02 0.00 -1.72 0.00 0.00 55.73 53.92 3dgy s ARG 71 Cb -0.20 0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 3dgy s ARG 71 CO 0.20 -0.14 -0.01 0.08 -0.68 0.00 0.00 175.30 174.75 3dgy s VAL 72 N -1.48 4.15 -0.13 3.52 1.01 0.04 -1.58 120.40 125.94 3dgy s VAL 72 Ca -0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3dgy s VAL 72 Cb -0.07 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3dgy s VAL 72 CO 0.02 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 174.93 3dgy s VAL 73 N -0.49 3.66 0.06 2.92 1.01 -0.44 -0.67 120.40 126.45 3dgy s VAL 73 Ca 0.08 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3dgy s VAL 73 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3dgy s VAL 73 CO 0.02 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.14 3dgy s THR 74 N 0.06 4.50 0.34 3.92 -4.23 -0.03 0.20 115.64 120.39 3dgy s THR 74 Ca -0.01 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 3dgy s THR 74 Cb -0.14 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.56 3dgy s THR 74 CO 0.03 0.19 0.42 -0.83 -0.54 0.00 0.00 174.62 173.89 3dgy s GLY 75 N -2.19 1.68 0.64 3.99 0.00 -0.06 -1.87 107.32 109.51 3dgy s GLY 75 Ca 0.27 -1.54 0.35 0.00 0.00 0.00 0.00 44.72 43.80 3dgy s GLY 75 CO 0.19 -1.45 2.17 -1.33 0.00 0.00 0.00 173.10 172.69 3dgy h GLY 76 N 0.99 0.00 -1.49 0.20 0.00 -1.61 -2.14 103.07 99.02 3dgy h GLY 76 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3dgy h GLY 76 CO 0.54 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.36 3dgy n TYR 77 N -3.34 0.80 -0.26 5.60 4.01 -1.26 -4.96 117.16 117.75 3dgy n TYR 77 Ca -0.01 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 3dgy n TYR 77 Cb 0.22 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3dgy n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dgy n GLY 78 N -0.23 0.87 3.76 2.72 0.00 -0.80 -5.07 105.19 106.44 3dgy n GLY 78 Ca 0.18 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3dgy n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dgy s GLU 79 N -0.69 3.63 -0.04 1.61 8.01 -1.25 -4.82 118.70 125.13 3dgy s GLU 79 Ca 0.00 2.35 0.02 0.00 0.01 0.00 0.00 54.97 57.35 3dgy s GLU 79 Cb 0.00 -2.60 0.01 0.00 -4.31 0.00 0.00 34.13 27.24 3dgy s GLU 79 CO 0.00 -0.84 -0.08 -0.65 0.01 0.00 0.00 175.26 173.70 3dgy s GLN 80 N -2.51 1.09 0.04 1.61 -0.21 -1.26 -0.88 119.66 117.54 3dgy s GLN 80 Ca 0.62 -0.26 0.05 0.00 0.02 0.00 0.00 55.36 55.80 3dgy s GLN 80 Cb -0.42 -1.00 -0.02 0.00 1.00 0.00 0.00 33.01 32.57 3dgy s GLN 80 CO 0.54 0.02 -0.16 0.71 -2.12 0.00 0.00 175.29 174.28 3dgy s TYR 81 N 0.56 1.40 -0.15 0.91 1.51 0.13 -0.89 117.35 120.82 3dgy s TYR 81 Ca -0.09 -0.35 -0.06 0.00 -1.01 0.00 0.00 57.07 55.56 3dgy s TYR 81 Cb -0.12 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 3dgy s TYR 81 CO 0.01 0.05 0.07 -0.46 -1.11 0.00 0.00 175.55 174.10 3dgy s TRP 82 N -0.79 3.30 -0.17 2.71 -0.00 0.26 -1.33 118.94 122.93 3dgy s TRP 82 Ca 0.04 0.19 -0.04 0.00 -0.00 0.00 0.00 56.10 56.28 3dgy s TRP 82 Cb -0.08 -1.99 0.07 0.00 -0.00 0.00 0.00 33.47 31.47 3dgy s TRP 82 CO 0.01 0.34 0.13 0.45 -0.00 0.00 0.00 176.95 177.88 3dgy s SER 83 N -0.17 1.92 0.00 5.86 0.15 -0.61 -1.23 113.70 119.63 3dgy s SER 83 Ca 0.08 -0.42 0.28 0.00 0.70 0.00 0.00 55.95 56.59 3dgy s SER 83 Cb -0.12 -0.03 1.31 0.00 -1.71 0.00 0.00 66.02 65.46 3dgy s SER 83 CO 0.01 -0.33 1.93 -0.81 1.20 0.00 0.00 173.24 175.24 3dgy n PRO 84 N 5.29 0.21 -2.68 5.44 -0.04 -1.26 -0.30 135.00 141.67 3dgy n PRO 84 Ca -0.06 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 3dgy n PRO 84 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3dgy n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dgy n ASP 85 N -1.39 2.05 -4.00 3.54 5.68 -1.21 -3.77 116.55 117.46 3dgy n ASP 85 Ca 0.10 -2.52 -0.28 0.00 -0.50 0.00 0.00 54.79 51.60 3dgy n ASP 85 Cb 0.27 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.74 3dgy n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3dgy n HIS 86 N -0.43 -1.59 -1.00 2.11 -0.00 -0.07 -1.94 115.22 112.30 3dgy n HIS 86 Ca 0.13 0.67 0.00 0.00 -0.00 0.00 0.00 57.72 58.53 3dgy n HIS 86 Cb 0.81 -3.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.28 3dgy n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3dgy n TYR 87 N -4.44 0.00 -0.09 1.57 4.01 -1.26 -4.90 117.16 112.05 3dgy n TYR 87 Ca -0.29 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.40 3dgy n TYR 87 Cb 0.68 -0.03 0.15 0.00 -0.31 0.00 0.00 39.34 39.83 3dgy n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dgy h ALA 88 N 0.00 1.06 -3.06 -0.72 0.00 -1.80 -3.45 119.26 111.30 3dgy h ALA 88 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3dgy h ALA 88 Cb 0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 17.79 17.41 3dgy h ALA 88 CO 0.00 0.58 -0.71 0.95 0.00 0.00 0.00 179.25 180.07 3dgy s THR 89 N -4.85 0.15 0.04 0.00 -4.23 -1.26 -5.11 115.64 100.38 3dgy s THR 89 Ca -0.09 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3dgy s THR 89 Cb 0.14 -0.28 -0.02 0.00 1.34 0.00 0.00 72.50 73.68 3dgy s THR 89 CO 0.81 -0.45 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.96 3dgy s PHE 90 N -1.35 1.07 0.02 3.99 0.40 -1.26 -4.29 117.98 116.56 3dgy s PHE 90 Ca -0.14 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.86 3dgy s PHE 90 Cb -0.09 -0.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.79 3dgy s PHE 90 CO -0.01 0.02 -0.18 -0.65 0.70 0.00 0.00 175.22 175.10 3dgy s GLN 91 N -1.30 1.29 -0.07 0.44 -0.21 -0.36 -4.48 119.66 114.97 3dgy s GLN 91 Ca -0.01 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.29 3dgy s GLN 91 Cb -0.08 -1.32 -0.02 0.00 1.00 0.00 0.00 33.01 32.58 3dgy s GLN 91 CO 0.01 0.35 1.05 -2.00 -2.12 0.00 0.00 175.29 172.58 3dgy s GLU 92 N -0.87 4.43 -0.25 2.91 2.12 0.28 -0.58 118.70 126.75 3dgy s GLU 92 Ca 0.06 1.47 -0.29 0.00 0.36 0.00 0.00 54.97 56.57 3dgy s GLU 92 Cb -0.08 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.79 3dgy s GLU 92 CO 0.01 -0.30 1.19 0.42 -0.54 0.00 0.00 175.26 176.04 3dgy s ILE 93 N 1.86 4.37 -0.49 -3.70 1.01 -0.06 -1.65 121.20 122.54 3dgy s ILE 93 Ca 0.51 1.61 -0.27 0.00 0.00 0.00 0.00 60.65 62.51 3dgy s ILE 93 Cb -0.21 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.11 3dgy s ILE 93 CO 0.21 -0.30 1.02 -0.62 0.00 0.00 0.00 174.94 175.24 3dgy s ASP 94 N 1.97 6.50 0.00 3.58 -1.08 0.68 -4.70 116.67 123.62 3dgy s ASP 94 Ca 0.51 0.14 0.17 0.00 -0.52 0.00 0.00 52.55 52.85 3dgy s ASP 94 Cb -0.17 -2.49 0.86 0.00 -1.46 0.00 0.00 42.92 39.66 3dgy s ASP 94 CO 0.15 -1.19 1.49 -0.81 0.52 0.00 0.00 175.17 175.34 3dgy n PRO 95 N 7.56 0.25 0.03 4.34 -0.04 -1.26 -1.94 135.00 143.94 3dgy n PRO 95 Ca 0.07 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 3dgy n PRO 95 Cb 0.49 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.67 3dgy n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3dgy n ARG 96 N -1.27 0.14 0.00 0.54 1.74 -1.26 -4.88 116.66 111.66 3dgy n ARG 96 Ca 0.08 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3dgy n ARG 96 Cb 0.13 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3dgy n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11