#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgy h ASP 2 N 0.00 0.08 -2.57 0.00 3.32 -1.99 -3.43 116.42 111.84 3dgy h ASP 2 Ca 0.00 0.05 -0.53 0.00 0.02 0.00 0.00 57.03 56.57 3dgy h ASP 2 Cb 0.00 0.06 0.03 0.00 0.22 0.00 0.00 39.33 39.64 3dgy h ASP 2 CO 0.00 0.08 1.09 -2.16 -1.72 0.00 0.00 179.24 176.53 3dgy s PRO 3 N -6.16 4.16 0.40 3.56 0.04 -1.26 -4.84 135.00 130.90 3dgy s PRO 3 Ca -0.13 2.49 -0.26 0.00 0.04 0.00 0.00 61.00 63.14 3dgy s PRO 3 Cb 0.13 -3.68 -0.09 0.00 0.04 0.00 0.00 34.50 30.90 3dgy s PRO 3 CO 0.71 -0.82 1.25 0.00 0.04 0.00 0.00 177.00 178.18 3dgy s ALA 4 N 2.97 3.21 0.07 8.56 0.00 -1.26 -5.02 121.76 130.29 3dgy s ALA 4 Ca 0.79 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.92 3dgy s ALA 4 Cb -0.43 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 3dgy s ALA 4 CO 0.35 -0.70 -0.00 -0.51 0.00 0.00 0.00 175.76 174.90 3dgy s LEU 5 N -2.45 3.47 0.45 0.00 1.43 -1.26 -5.11 118.68 115.21 3dgy s LEU 5 Ca 0.57 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.29 3dgy s LEU 5 Cb -0.35 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.64 3dgy s LEU 5 CO 0.45 0.20 1.28 0.00 0.23 0.00 0.00 176.35 178.50 3dgy s ALA 6 N -1.26 3.07 0.32 4.21 0.00 -1.26 -4.78 121.76 122.06 3dgy s ALA 6 Ca 0.24 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 3dgy s ALA 6 Cb -0.12 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 3dgy s ALA 6 CO 0.17 -0.90 0.67 -0.51 0.00 0.00 0.00 175.76 175.18 3dgy s ASP 7 N -0.97 6.58 -0.03 0.00 1.01 -1.26 -0.45 116.67 121.54 3dgy s ASP 7 Ca 0.62 1.02 0.01 0.00 0.71 0.00 0.00 52.55 54.91 3dgy s ASP 7 Cb -0.36 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.32 3dgy s ASP 7 CO 0.44 -0.24 -0.02 0.54 0.21 0.00 0.00 175.17 176.10 3dgy s VAL 8 N -2.11 0.32 0.32 -1.27 0.11 -0.01 -4.82 120.40 112.95 3dgy s VAL 8 Ca 0.49 -0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.25 3dgy s VAL 8 Cb -0.11 -0.38 -0.10 0.00 -1.53 0.00 0.00 36.38 34.26 3dgy s VAL 8 CO 0.26 0.17 1.42 0.00 -3.33 0.00 0.00 175.10 173.62 3dgy h ARG 10 N 3.90 0.62 0.00 0.00 1.12 -0.69 -1.28 114.38 118.04 3dgy h ARG 10 Ca -0.48 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.35 3dgy h ARG 10 Cb 1.23 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 3dgy h ARG 10 CO 0.70 0.41 0.00 1.79 -3.11 0.00 0.00 179.97 179.76 3dgy h THR 11 N 0.63 0.00 -0.01 0.20 1.35 -1.77 -1.95 112.91 111.36 3dgy h THR 11 Ca 0.36 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 3dgy h THR 11 Cb 0.37 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3dgy h THR 11 CO -0.27 0.00 -0.48 0.29 -0.25 0.00 0.00 175.52 174.82 3dgy n LYS 12 N -2.63 0.76 -1.25 4.72 4.76 -0.49 -4.93 118.16 119.10 3dgy n LYS 12 Ca -0.01 -0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 54.56 3dgy n LYS 12 Cb 0.14 -1.49 0.09 0.00 -1.84 0.00 0.00 35.03 31.94 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 -2.62 3.04 0.75 -0.35 1.43 -0.74 -4.99 118.68 115.20 3dgy s LEU 13 Ca 0.18 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.99 3dgy s LEU 13 Cb 0.18 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.91 3dgy s LEU 13 CO 0.61 -2.09 1.09 -2.65 0.23 0.00 0.00 176.35 173.54 3dgy n PRO 14 N -3.51 0.44 0.03 1.29 -0.02 -1.26 -4.82 135.00 127.15 3dgy n PRO 14 Ca 0.09 0.21 0.03 0.00 -2.02 0.00 0.00 63.50 61.82 3dgy n PRO 14 Cb 0.53 -2.34 0.41 0.00 -0.02 0.00 0.00 33.50 32.08 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 -0.44 0.42 -0.45 2.55 4.64 -1.96 -2.03 113.55 116.28 3dgy h SER 15 Ca -0.47 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 60.69 3dgy h SER 15 Cb 1.32 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3dgy h SER 15 CO 0.47 0.37 -0.18 1.56 -0.87 0.00 0.00 176.83 178.18 3dgy h GLN 16 N 0.48 0.95 -0.59 4.77 7.50 -1.90 -0.53 115.11 125.78 3dgy h GLN 16 Ca 0.12 -0.38 -0.03 0.00 0.50 0.00 0.00 58.65 58.86 3dgy h GLN 16 Cb 0.07 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.53 3dgy h GLN 16 CO -0.02 1.05 0.26 0.00 -1.50 0.00 0.00 178.83 178.62 3dgy h ALA 17 N 0.95 0.77 -0.94 3.87 0.00 -1.70 -1.59 119.26 120.61 3dgy h ALA 17 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dgy h ALA 17 Cb 0.74 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3dgy h ALA 17 CO 0.06 0.36 0.56 1.96 0.00 0.00 0.00 179.25 182.19 3dgy h GLN 18 N 0.82 1.28 -0.53 0.00 4.20 -1.14 -2.01 115.11 117.73 3dgy h GLN 18 Ca 0.20 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3dgy h GLN 18 Cb 0.17 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 3dgy h GLN 18 CO -0.02 0.90 0.25 -0.44 -0.67 0.00 0.00 178.83 178.86 3dgy h ASP 19 N 1.30 0.35 -0.72 1.46 3.32 -0.71 -1.21 116.42 120.21 3dgy h ASP 19 Ca 0.34 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3dgy h ASP 19 Cb -0.04 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3dgy h ASP 19 CO -0.06 0.24 0.34 0.74 -1.72 0.00 0.00 179.24 178.77 3dgy h THR 20 N 0.49 1.24 -0.77 0.35 2.02 -0.99 0.60 112.91 115.85 3dgy h THR 20 Ca 0.24 -0.67 0.05 0.00 0.77 0.00 0.00 66.41 66.80 3dgy h THR 20 Cb 0.17 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 3dgy h THR 20 CO -0.18 0.28 0.47 -0.07 0.37 0.00 0.00 175.52 176.39 3dgy h LEU 21 N 1.00 0.75 -0.54 2.58 3.38 -0.90 0.11 115.31 121.69 3dgy h LEU 21 Ca 0.25 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 3dgy h LEU 21 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dgy h LEU 21 CO -0.03 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3dgy h ALA 22 N 1.35 0.73 -0.53 1.53 0.00 -0.58 -0.77 119.26 121.00 3dgy h ALA 22 Ca 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dgy h ALA 22 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3dgy h ALA 22 CO -0.15 0.56 0.32 -0.07 0.00 0.00 0.00 179.25 179.91 3dgy h LEU 23 N 0.84 0.64 -0.70 0.00 3.38 -0.54 -1.30 115.31 117.64 3dgy h LEU 23 Ca 0.15 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3dgy h LEU 23 Cb 0.53 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3dgy h LEU 23 CO 0.03 0.52 0.40 0.40 0.09 0.00 0.00 178.44 179.88 3dgy h ILE 24 N 0.71 1.00 0.00 1.22 2.04 -0.54 -0.97 117.51 120.97 3dgy h ILE 24 Ca 0.19 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3dgy h ILE 24 Cb -0.00 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3dgy h ILE 24 CO -0.03 0.14 -0.40 0.00 0.00 0.00 0.00 178.15 177.86 3dgy h ALA 25 N 1.35 1.30 -0.00 1.87 0.00 -0.73 -1.68 119.26 121.37 3dgy h ALA 25 Ca 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dgy h ALA 25 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3dgy h ALA 25 CO -0.17 0.50 -0.05 1.63 0.00 0.00 0.00 179.25 181.16 3dgy n LYS 26 N -4.01 0.93 -3.51 0.00 4.76 -0.53 -4.96 118.16 110.84 3dgy n LYS 26 Ca -0.02 -0.27 -0.19 0.00 -2.87 0.00 0.00 58.31 54.96 3dgy n LYS 26 Cb 0.43 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.21 3dgy n LYS 26 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dgy n ASN 27 N -0.80 -3.03 0.00 4.39 5.15 -0.63 -4.75 115.26 115.58 3dgy n ASN 27 Ca 0.18 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.53 3dgy n ASN 27 Cb 0.24 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.53 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 -1.40 -0.41 3.64 8.20 0.00 -0.46 -4.86 105.19 109.91 3dgy n GLY 28 Ca -0.21 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 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 1.03 -4.04 1.61 -0.02 -1.26 -4.95 135.00 127.37 3dgy n PRO 29 Ca 0.00 0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 3dgy n PRO 29 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 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 -1.46 3.31 0.35 6.00 1.51 -1.26 -5.02 117.35 120.78 3dgy s TYR 30 Ca 0.75 0.19 0.13 0.00 -1.01 0.00 0.00 57.07 57.12 3dgy s TYR 30 Cb -0.42 -1.71 0.68 0.00 -0.11 0.00 0.00 41.96 40.39 3dgy s TYR 30 CO 0.47 0.56 1.80 -1.00 -1.11 0.00 0.00 175.55 176.27 3dgy h PRO 31 N 3.66 0.00 -6.48 -1.71 0.13 -1.99 -3.44 132.00 122.18 3dgy h PRO 31 Ca -0.48 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 3dgy h PRO 31 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 3dgy h PRO 31 CO 0.66 0.40 -0.76 0.71 -0.23 0.00 0.00 178.00 178.79 3dgy s TYR 32 N -4.10 2.70 0.44 1.56 2.02 -1.26 -5.03 117.35 113.69 3dgy s TYR 32 Ca -0.03 -0.16 0.11 0.00 -0.37 0.00 0.00 57.07 56.62 3dgy s TYR 32 Cb 0.14 -1.50 0.97 0.00 -0.40 0.00 0.00 41.96 41.17 3dgy s TYR 32 CO 0.73 0.33 2.04 -0.91 -1.57 0.00 0.00 175.55 176.17 3dgy h ASN 33 N 4.32 0.23 0.00 2.29 2.35 -2.05 -2.81 115.58 119.91 3dgy h ASN 33 Ca -0.48 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 3dgy h ASN 33 Cb 1.16 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.47 3dgy h ASN 33 CO 0.51 0.24 -0.00 0.54 -1.65 0.00 0.00 177.43 177.06 3dgy n ARG 34 N -4.42 1.38 -1.93 0.81 1.74 -1.26 -4.81 116.66 108.17 3dgy n ARG 34 Ca -0.00 -0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 56.08 3dgy n ARG 34 Cb 0.14 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.02 6.61 0.00 0.55 -0.00 -1.06 -2.52 116.67 118.23 3dgy s ASP 35 Ca 0.41 2.48 0.00 0.00 -0.00 0.00 0.00 52.55 55.45 3dgy s ASP 35 Cb 0.21 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 3dgy s ASP 35 CO 0.35 -0.88 0.00 0.61 -0.00 0.00 0.00 175.17 175.25 3dgy n GLY 36 N 3.98 0.46 3.75 0.21 0.00 0.79 -5.00 105.19 109.37 3dgy n GLY 36 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3dgy n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dgy s VAL 37 N -2.18 2.93 0.25 1.61 -7.23 -1.05 -4.60 120.40 110.13 3dgy s VAL 37 Ca 0.00 0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 3dgy s VAL 37 Cb 0.00 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 3dgy s VAL 37 CO 0.00 -0.32 1.32 -0.69 -0.31 0.00 0.00 175.10 175.10 3dgy s VAL 38 N -2.48 3.00 -0.41 1.32 1.01 -1.26 -1.14 120.40 120.44 3dgy s VAL 38 Ca 0.67 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 3dgy s VAL 38 Cb -0.21 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3dgy s VAL 38 CO 0.49 0.16 0.42 0.12 0.00 0.00 0.00 175.10 176.28 3dgy s PHE 39 N -0.33 3.18 0.10 5.22 2.19 -0.22 -4.76 117.98 123.37 3dgy s PHE 39 Ca 0.54 -0.35 0.32 0.00 0.33 0.00 0.00 56.93 57.78 3dgy s PHE 39 Cb -0.38 -2.84 1.30 0.00 -1.31 0.00 0.00 43.02 39.79 3dgy s PHE 39 CO 0.43 -0.66 1.96 0.93 1.83 0.00 0.00 175.22 179.72 3dgy h GLU 40 N 8.68 0.00 -5.92 10.12 5.08 -1.94 -3.39 114.58 127.21 3dgy h GLU 40 Ca -0.27 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.70 3dgy h GLU 40 Cb 1.12 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.46 3dgy h GLU 40 CO 0.78 0.03 -0.76 -1.71 -1.00 0.00 0.00 179.01 176.34 3dgy n ASN 41 N -3.13 -3.40 0.11 1.42 5.15 -1.26 -4.89 115.26 109.25 3dgy n ASN 41 Ca 0.01 -0.68 0.04 0.00 -0.60 0.00 0.00 54.58 53.34 3dgy n ASN 41 Cb 0.32 -4.62 0.44 0.00 -0.53 0.00 0.00 39.78 35.39 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 -2.13 0.27 -0.10 1.20 3.08 -1.99 -2.46 114.38 112.24 3dgy h ARG 42 Ca -0.59 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3dgy h ARG 42 Cb 1.36 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3dgy h ARG 42 CO 0.56 0.31 0.00 0.39 -1.07 0.00 0.00 179.97 180.16 3dgy n GLU 43 N -4.37 1.70 -2.85 0.04 4.71 -1.26 -4.94 120.64 113.67 3dgy n GLU 43 Ca -0.00 -1.04 -0.18 0.00 -0.01 0.00 0.00 57.16 55.92 3dgy n GLU 43 Cb 0.19 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 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 0.26 -4.41 0.14 1.62 7.64 -0.93 -4.87 113.62 113.07 3dgy n SER 44 Ca 0.17 -0.10 0.03 0.00 1.01 0.00 0.00 58.87 59.98 3dgy n SER 44 Cb 0.34 -3.67 0.07 0.00 -1.01 0.00 0.00 64.21 59.94 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 -0.58 0.00 -6.19 1.43 3.08 -1.92 -3.45 114.38 106.76 3dgy h ARG 45 Ca -0.40 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.16 3dgy h ARG 45 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 3dgy h ARG 45 CO 0.47 0.50 -0.49 -0.51 -1.07 0.00 0.00 179.97 178.87 3dgy s LEU 46 N -6.56 4.02 0.27 3.04 1.43 -1.26 -4.95 118.68 114.67 3dgy s LEU 46 Ca 0.03 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3dgy s LEU 46 Cb 0.08 -2.56 -0.14 0.00 0.03 0.00 0.00 46.19 43.60 3dgy s LEU 46 CO 0.74 -0.04 1.10 -2.65 0.23 0.00 0.00 176.35 175.72 3dgy n PRO 47 N -1.18 1.46 -1.94 1.29 -0.02 -1.26 -4.87 135.00 128.48 3dgy n PRO 47 Ca -0.08 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3dgy n PRO 47 Cb 0.57 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 3dgy n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dgy s LYS 48 N -1.31 4.20 0.34 -0.52 2.20 -1.26 -4.99 119.74 118.39 3dgy s LYS 48 Ca 0.61 2.30 0.04 0.00 -0.36 0.00 0.00 55.97 58.57 3dgy s LYS 48 Cb -0.71 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 31.88 3dgy s LYS 48 CO 0.58 -0.76 0.18 0.15 -0.36 0.00 0.00 175.35 175.14 3dgy s LYS 49 N 3.00 1.71 0.95 4.03 -0.14 -1.26 -4.98 119.74 123.05 3dgy s LYS 49 Ca 0.74 -2.00 -0.11 0.00 -1.36 0.00 0.00 55.97 53.24 3dgy s LYS 49 Cb -0.38 -0.14 0.16 0.00 -1.68 0.00 0.00 37.83 35.79 3dgy s LYS 49 CO 0.32 -0.50 1.09 0.20 -0.76 0.00 0.00 175.35 175.70 3dgy s GLY 50 N -3.43 1.62 0.23 -3.33 0.00 -1.26 -4.93 107.32 96.21 3dgy s GLY 50 Ca 0.34 0.09 -0.32 0.00 0.00 0.00 0.00 44.72 44.83 3dgy s GLY 50 CO 0.19 0.60 1.60 0.70 0.00 0.00 0.00 173.10 176.19 3dgy n ASN 51 N -4.16 3.54 0.00 1.64 3.02 -1.26 -2.55 115.26 115.49 3dgy n ASN 51 Ca 0.07 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.73 3dgy n ASN 51 Cb 0.54 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 3dgy n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dgy n GLY 52 N 2.98 0.79 0.30 7.41 0.00 -1.26 -4.95 105.19 110.45 3dgy n GLY 52 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 0.60 -3.79 1.61 3.20 -1.83 -3.44 116.97 113.32 3dgy h TYR 53 Ca 0.00 -0.03 -0.68 0.00 3.14 0.00 0.00 58.73 61.16 3dgy h TYR 53 Cb 0.01 -0.19 -0.20 0.00 1.54 0.00 0.00 36.73 37.89 3dgy h TYR 53 CO 0.01 0.48 -0.74 0.71 -1.64 0.00 0.00 178.16 176.98 3dgy s TYR 54 N -5.26 2.79 0.07 -3.82 1.51 -1.26 -1.43 117.35 109.94 3dgy s TYR 54 Ca -0.08 -0.10 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 3dgy s TYR 54 Cb 0.16 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 3dgy s TYR 54 CO 0.76 0.30 -0.10 -1.01 -1.11 0.00 0.00 175.55 174.38 3dgy s HIS 55 N -0.89 0.98 0.11 2.71 3.76 -0.82 -1.05 115.29 120.08 3dgy s HIS 55 Ca 0.15 -0.57 0.09 0.00 -0.15 0.00 0.00 55.06 54.58 3dgy s HIS 55 Cb -0.11 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 3dgy s HIS 55 CO 0.05 -0.02 -0.20 -1.83 -0.85 0.00 0.00 174.74 171.89 3dgy s GLU 56 N -2.22 1.73 -0.04 1.40 -1.05 -0.29 -0.73 118.70 117.49 3dgy s GLU 56 Ca -0.01 -1.20 -0.04 0.00 -0.15 0.00 0.00 54.97 53.57 3dgy s GLU 56 Cb -0.06 -2.07 0.01 0.00 -0.44 0.00 0.00 34.13 31.56 3dgy s GLU 56 CO 0.00 0.48 0.12 -0.06 0.95 0.00 0.00 175.26 176.75 3dgy s PHE 57 N -1.11 -0.12 0.30 4.83 0.08 -0.07 -0.15 117.98 121.74 3dgy s PHE 57 Ca 0.17 0.30 -0.28 0.00 0.12 0.00 0.00 56.93 57.24 3dgy s PHE 57 Cb -0.10 0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.29 3dgy s PHE 57 CO 0.09 -0.07 1.05 0.99 -0.10 0.00 0.00 175.22 177.17 3dgy s THR 58 N -0.00 3.70 -0.14 0.64 2.01 -1.26 -1.18 115.64 119.41 3dgy s THR 58 Ca -0.01 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.58 3dgy s THR 58 Cb -0.01 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 3dgy s THR 58 CO 0.00 0.28 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.39 3dgy s VAL 59 N -1.32 2.93 0.29 3.82 1.01 -0.74 -4.83 120.40 121.57 3dgy s VAL 59 Ca 0.47 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 3dgy s VAL 59 Cb -0.27 -2.23 -0.10 0.00 0.00 0.00 0.00 36.38 33.77 3dgy s VAL 59 CO 0.35 0.52 1.38 -0.69 0.00 0.00 0.00 175.10 176.66 3dgy s VAL 60 N 0.49 2.65 -0.25 2.92 1.01 -1.26 -4.31 120.40 121.64 3dgy s VAL 60 Ca -0.10 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 3dgy s VAL 60 Cb -0.16 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3dgy s VAL 60 CO 0.04 0.12 0.11 -0.89 0.00 0.00 0.00 175.10 174.49 3dgy s THR 61 N -0.56 4.73 -1.38 3.92 2.01 -1.26 -4.81 115.64 118.30 3dgy s THR 61 Ca 0.54 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.43 3dgy s THR 61 Cb -0.41 -3.22 0.09 0.00 0.01 0.00 0.00 72.50 68.97 3dgy s THR 61 CO 0.49 0.32 2.29 -0.81 -0.69 0.00 0.00 174.62 176.22 3dgy n PRO 62 N 4.80 3.90 -0.02 4.92 -0.04 -1.26 -5.06 135.00 142.24 3dgy n PRO 62 Ca -0.15 -3.17 -0.11 0.00 -0.04 0.00 0.00 63.50 60.03 3dgy n PRO 62 Cb 0.52 -2.84 -0.14 0.00 -0.04 0.00 0.00 33.50 31.00 3dgy n PRO 62 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3dgy n ASP 66 N 3.30 1.05 -0.18 3.54 2.03 -1.26 -5.23 116.55 119.80 3dgy n ASP 66 Ca 0.56 0.38 -0.09 0.00 0.52 0.00 0.00 54.79 56.16 3dgy n ASP 66 Cb 0.30 -0.17 0.04 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.01 1.00 0.00 -0.67 2.43 -1.98 -3.49 114.38 111.68 3dgy h ARG 67 Ca -0.31 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3dgy h ARG 67 Cb 2.02 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 3dgy h ARG 67 CO 0.08 1.03 0.00 0.41 -1.51 0.00 0.00 179.97 179.98 3dgy n GLY 68 N -0.33 -1.99 0.00 2.80 0.00 -1.26 -4.58 105.19 99.83 3dgy n GLY 68 Ca 0.02 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.03 0.00 -2.74 2.61 -2.24 -1.26 -4.98 114.28 105.63 3dgy n THR 69 Ca 0.00 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3dgy n THR 69 Cb 0.00 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.78 4.76 0.05 -0.78 0.52 -1.26 -0.34 118.95 119.13 3dgy s ARG 70 Ca 0.03 1.46 -0.09 0.00 -0.52 0.00 0.00 55.73 56.61 3dgy s ARG 70 Cb 0.12 -3.33 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 3dgy s ARG 70 CO 0.70 0.35 0.18 1.03 0.02 0.00 0.00 175.30 177.58 3dgy s ARG 71 N -0.52 0.72 -0.05 3.54 1.81 0.88 -1.79 118.95 123.55 3dgy s ARG 71 Ca 0.44 -0.74 0.05 0.00 -1.72 0.00 0.00 55.73 53.76 3dgy s ARG 71 Cb -0.24 0.30 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 3dgy s ARG 71 CO 0.31 -0.21 -0.20 0.08 -0.68 0.00 0.00 175.30 174.59 3dgy s VAL 72 N -2.95 2.51 -0.09 3.52 1.01 -0.32 -1.26 120.40 122.82 3dgy s VAL 72 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3dgy s VAL 72 Cb 0.01 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3dgy s VAL 72 CO -0.06 0.58 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 3dgy s VAL 73 N -0.48 2.34 0.10 2.92 1.01 -0.26 -0.89 120.40 125.14 3dgy s VAL 73 Ca 0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3dgy s VAL 73 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3dgy s VAL 73 CO 0.01 0.56 0.15 0.42 0.00 0.00 0.00 175.10 176.24 3dgy s THR 74 N 0.06 4.87 0.41 3.92 -4.23 0.09 -0.27 115.64 120.49 3dgy s THR 74 Ca -0.09 -0.70 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 3dgy s THR 74 Cb -0.15 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 3dgy s THR 74 CO 0.06 0.07 0.24 -0.83 -0.54 0.00 0.00 174.62 173.61 3dgy s GLY 75 N -2.64 2.26 0.28 3.99 0.00 -0.05 -1.95 107.32 109.21 3dgy s GLY 75 Ca 0.32 -2.03 0.22 0.00 0.00 0.00 0.00 44.72 43.23 3dgy s GLY 75 CO 0.25 -1.84 1.68 0.61 0.00 0.00 0.00 173.10 173.79 3dgy n GLY 76 N -1.33 -1.10 0.53 0.20 0.00 -0.52 -1.81 105.19 101.16 3dgy n GLY 76 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3dgy n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dgy n TYR 77 N -2.23 0.45 -0.13 1.61 4.01 -1.26 -4.97 117.16 114.64 3dgy n TYR 77 Ca 0.01 -0.64 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 3dgy n TYR 77 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 -0.13 0.91 3.75 2.72 0.00 -0.75 -5.07 105.19 106.62 3dgy n GLY 78 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.87 3.18 -0.03 1.61 8.01 -1.25 -4.83 118.70 124.53 3dgy s GLU 79 Ca 0.00 2.27 0.01 0.00 0.01 0.00 0.00 54.97 57.26 3dgy s GLU 79 Cb 0.00 -2.30 0.02 0.00 -4.31 0.00 0.00 34.13 27.54 3dgy s GLU 79 CO 0.00 -1.17 -0.02 -0.65 0.01 0.00 0.00 175.26 173.43 3dgy s GLN 80 N -2.86 0.45 0.05 1.61 -0.21 -1.26 -0.87 119.66 116.57 3dgy s GLN 80 Ca 0.71 -0.03 0.08 0.00 0.02 0.00 0.00 55.36 56.13 3dgy s GLN 80 Cb -0.41 -0.54 -0.03 0.00 1.00 0.00 0.00 33.01 33.03 3dgy s GLN 80 CO 0.49 -0.06 -0.22 0.71 -2.12 0.00 0.00 175.29 174.09 3dgy s TYR 81 N 0.70 1.92 -0.14 0.91 1.51 0.63 -0.58 117.35 122.30 3dgy s TYR 81 Ca -0.08 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3dgy s TYR 81 Cb -0.11 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 3dgy s TYR 81 CO -0.01 0.11 0.01 -0.46 -1.11 0.00 0.00 175.55 174.09 3dgy s TRP 82 N -0.82 3.15 -0.20 2.71 -0.00 0.75 -1.10 118.94 123.43 3dgy s TRP 82 Ca 0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.10 56.14 3dgy s TRP 82 Cb -0.09 -1.94 0.06 0.00 -0.00 0.00 0.00 33.47 31.50 3dgy s TRP 82 CO 0.02 0.20 0.04 0.45 -0.00 0.00 0.00 176.95 177.67 3dgy s SER 83 N -0.08 2.91 0.00 5.86 0.15 -0.39 -0.88 113.70 121.28 3dgy s SER 83 Ca 0.04 -0.84 0.29 0.00 0.70 0.00 0.00 55.95 56.14 3dgy s SER 83 Cb -0.13 -0.57 1.33 0.00 -1.71 0.00 0.00 66.02 64.95 3dgy s SER 83 CO 0.02 -0.32 1.96 -0.81 1.20 0.00 0.00 173.24 175.29 3dgy n PRO 84 N 5.07 0.18 -2.40 5.44 -0.04 -1.26 -0.09 135.00 141.90 3dgy n PRO 84 Ca -0.08 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.27 3dgy n PRO 84 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.41 3.21 -3.86 3.54 5.68 -1.25 -3.99 116.55 118.47 3dgy n ASP 85 Ca 0.10 -2.89 -0.25 0.00 -0.50 0.00 0.00 54.79 51.25 3dgy n ASP 85 Cb 0.29 -0.41 -0.00 0.00 -1.14 0.00 0.00 41.12 39.86 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 -0.65 -1.74 -1.03 2.11 -0.00 0.54 -2.60 115.22 111.86 3dgy n HIS 86 Ca 0.25 0.74 -0.01 0.00 -0.00 0.00 0.00 57.72 58.71 3dgy n HIS 86 Cb 0.89 -3.89 -0.00 0.00 -0.00 0.00 0.00 29.99 26.98 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 -4.35 0.00 -0.16 1.57 4.01 -1.26 -4.91 117.16 112.06 3dgy n TYR 87 Ca -0.29 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.34 3dgy n TYR 87 Cb 0.68 -0.48 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.65 -2.28 -0.72 0.00 -1.91 -3.46 119.26 111.55 3dgy h ALA 88 Ca -0.02 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 3dgy h ALA 88 Cb 0.15 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 17.61 3dgy h ALA 88 CO 0.03 0.53 -0.69 0.95 0.00 0.00 0.00 179.25 180.07 3dgy s THR 89 N -4.86 0.47 0.01 0.00 -4.23 -1.26 -5.11 115.64 100.66 3dgy s THR 89 Ca -0.12 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3dgy s THR 89 Cb 0.12 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.39 3dgy s THR 89 CO 0.84 -0.91 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.57 3dgy s PHE 90 N -3.65 0.68 -0.04 3.99 0.40 -1.26 -4.44 117.98 113.65 3dgy s PHE 90 Ca 0.09 -0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.23 3dgy s PHE 90 Cb 0.06 -0.42 -0.01 0.00 0.51 0.00 0.00 43.02 43.15 3dgy s PHE 90 CO -0.07 -0.02 -0.22 -0.65 0.70 0.00 0.00 175.22 174.96 3dgy s GLN 91 N -0.67 2.15 -0.15 0.44 -0.21 -0.05 -4.36 119.66 116.81 3dgy s GLN 91 Ca -0.01 -0.79 -0.24 0.00 0.02 0.00 0.00 55.36 54.34 3dgy s GLN 91 Cb -0.05 -1.88 -0.02 0.00 1.00 0.00 0.00 33.01 32.05 3dgy s GLN 91 CO 0.00 0.36 0.76 -2.00 -2.12 0.00 0.00 175.29 172.30 3dgy s GLU 92 N -0.18 4.32 -0.18 2.91 2.12 0.40 -0.17 118.70 127.91 3dgy s GLU 92 Ca -0.01 0.91 -0.29 0.00 0.36 0.00 0.00 54.97 55.94 3dgy s GLU 92 Cb -0.12 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.73 3dgy s GLU 92 CO 0.02 -0.21 1.02 0.42 -0.54 0.00 0.00 175.26 175.97 3dgy s ILE 93 N 1.74 4.73 -0.41 -3.70 1.01 0.25 -0.83 121.20 124.00 3dgy s ILE 93 Ca 0.36 2.02 -0.20 0.00 0.00 0.00 0.00 60.65 62.83 3dgy s ILE 93 Cb -0.17 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.02 3dgy s ILE 93 CO 0.14 -0.10 0.59 -0.62 0.00 0.00 0.00 174.94 174.95 3dgy s ASP 94 N 1.16 6.31 0.00 3.58 -1.08 0.73 -4.65 116.67 122.72 3dgy s ASP 94 Ca 0.45 -0.29 0.26 0.00 -0.52 0.00 0.00 52.55 52.45 3dgy s ASP 94 Cb -0.16 -2.30 1.33 0.00 -1.46 0.00 0.00 42.92 40.33 3dgy s ASP 94 CO 0.11 -0.69 1.88 -0.81 0.52 0.00 0.00 175.17 176.18 3dgy n PRO 95 N 6.06 0.42 0.00 4.34 -0.04 -1.26 -1.57 135.00 142.96 3dgy n PRO 95 Ca -0.03 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 3dgy n PRO 95 Cb 0.48 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.25 0.61 0.00 0.54 1.74 -1.26 -4.87 116.66 112.17 3dgy n ARG 96 Ca 0.13 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3dgy n ARG 96 Cb 0.19 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3dgy n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11