#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5g s ASP 2 N 0.00 5.02 0.23 0.00 -0.00 -1.26 -4.93 116.67 115.74 3d5g s ASP 2 Ca 0.00 2.19 -0.31 0.00 -0.00 0.00 0.00 52.55 54.43 3d5g s ASP 2 Cb 0.00 -2.57 -0.11 0.00 -0.00 0.00 0.00 42.92 40.24 3d5g s ASP 2 CO 0.00 -1.70 1.60 -2.16 -0.00 0.00 0.00 175.17 172.91 3d5g s PRO 3 N -3.75 4.17 0.38 8.23 0.04 -1.26 -4.92 135.00 137.89 3d5g s PRO 3 Ca 0.72 2.49 -0.27 0.00 0.04 0.00 0.00 61.00 63.98 3d5g s PRO 3 Cb -0.25 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 3d5g s PRO 3 CO 0.38 -0.62 1.40 0.00 0.04 0.00 0.00 177.00 178.20 3d5g s ALA 4 N 0.57 3.44 0.08 8.56 0.00 -1.26 -5.02 121.76 128.13 3d5g s ALA 4 Ca 0.67 1.42 0.04 0.00 0.00 0.00 0.00 51.96 54.09 3d5g s ALA 4 Cb -0.46 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 3d5g s ALA 4 CO 0.39 -0.94 0.03 -0.51 0.00 0.00 0.00 175.76 174.73 3d5g s LEU 5 N -2.19 3.60 0.41 0.00 1.43 -1.26 -5.11 118.68 115.55 3d5g s LEU 5 Ca 0.54 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 3d5g s LEU 5 Cb -0.43 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 3d5g s LEU 5 CO 0.57 0.18 1.33 0.00 0.23 0.00 0.00 176.35 178.66 3d5g s ALA 6 N -1.32 3.27 0.44 4.21 0.00 -1.26 -4.77 121.76 122.32 3d5g s ALA 6 Ca 0.27 1.29 -0.17 0.00 0.00 0.00 0.00 51.96 53.34 3d5g s ALA 6 Cb -0.12 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 3d5g s ALA 6 CO 0.19 -0.90 0.91 -0.51 0.00 0.00 0.00 175.76 175.45 3d5g s ASP 7 N -0.68 6.76 -0.03 0.00 -0.00 -1.26 -0.69 116.67 120.78 3d5g s ASP 7 Ca 0.57 1.52 0.01 0.00 -0.00 0.00 0.00 52.55 54.65 3d5g s ASP 7 Cb -0.39 -2.48 0.02 0.00 -0.00 0.00 0.00 42.92 40.07 3d5g s ASP 7 CO 0.51 -0.41 -0.03 0.54 -0.00 0.00 0.00 175.17 175.77 3d5g s VAL 8 N -2.32 0.41 0.32 -1.27 0.11 0.37 -4.81 120.40 113.22 3d5g s VAL 8 Ca 0.58 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 3d5g s VAL 8 Cb -0.10 -0.45 -0.10 0.00 -1.53 0.00 0.00 36.38 34.21 3d5g s VAL 8 CO 0.22 0.19 1.33 0.00 -3.33 0.00 0.00 175.10 173.51 3d5g h ARG 10 N 3.56 0.74 0.00 0.00 1.12 -0.84 -0.82 114.38 118.14 3d5g h ARG 10 Ca -0.49 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 3d5g h ARG 10 Cb 1.23 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.02 3d5g h ARG 10 CO 0.67 0.49 0.00 1.79 -3.11 0.00 0.00 179.97 179.81 3d5g h THR 11 N 0.77 0.00 -0.00 0.20 1.35 -1.75 -1.90 112.91 111.57 3d5g h THR 11 Ca 0.30 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3d5g h THR 11 Cb 0.13 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3d5g h THR 11 CO -0.15 0.00 -0.48 0.29 -0.25 0.00 0.00 175.52 174.92 3d5g n LYS 12 N -2.44 0.33 -1.37 4.72 5.02 -0.33 -4.92 118.16 119.18 3d5g n LYS 12 Ca 0.01 -0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 55.76 3d5g n LYS 12 Cb 0.19 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.79 3d5g n LYS 12 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d5g s LEU 13 N -2.81 3.16 0.62 -0.35 1.43 -0.72 -4.98 118.68 115.03 3d5g s LEU 13 Ca 0.15 2.00 -0.19 0.00 -1.03 0.00 0.00 54.13 55.07 3d5g s LEU 13 Cb 0.18 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 3d5g s LEU 13 CO 0.66 -2.08 1.12 -2.65 0.23 0.00 0.00 176.35 173.62 3d5g n PRO 14 N -3.15 1.04 0.10 1.29 -0.02 -1.26 -4.79 135.00 128.20 3d5g n PRO 14 Ca 0.10 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3d5g n PRO 14 Cb 0.52 -2.34 0.41 0.00 -0.02 0.00 0.00 33.50 32.07 3d5g n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d5g h SER 15 N 0.57 0.28 -0.15 2.55 4.64 -1.96 0.71 113.55 120.19 3d5g h SER 15 Ca -0.50 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.69 3d5g h SER 15 Cb 1.35 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3d5g h SER 15 CO 0.52 0.36 -0.20 1.56 -0.87 0.00 0.00 176.83 178.20 3d5g h GLN 16 N 0.29 0.58 -0.41 4.77 1.08 -1.90 -0.99 115.11 118.53 3d5g h GLN 16 Ca 0.07 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.02 3d5g h GLN 16 Cb 0.26 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3d5g h GLN 16 CO 0.01 0.75 0.12 0.00 -0.95 0.00 0.00 178.83 178.76 3d5g h ALA 17 N 1.26 0.54 -0.79 3.87 0.00 -1.20 -1.81 119.26 121.13 3d5g h ALA 17 Ca 0.08 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.89 3d5g h ALA 17 Cb 0.64 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3d5g h ALA 17 CO 0.05 0.19 0.46 1.96 0.00 0.00 0.00 179.25 181.91 3d5g h GLN 18 N 0.52 0.80 -0.75 0.00 4.20 -1.06 -2.07 115.11 116.75 3d5g h GLN 18 Ca 0.13 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3d5g h GLN 18 Cb 0.27 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3d5g h GLN 18 CO -0.00 0.53 0.45 -0.44 -0.67 0.00 0.00 178.83 178.70 3d5g h ASP 19 N 0.83 0.90 -0.82 1.46 3.32 -0.92 -0.95 116.42 120.23 3d5g h ASP 19 Ca 0.36 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 3d5g h ASP 19 Cb 0.23 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 3d5g h ASP 19 CO -0.20 0.70 0.45 0.74 -1.72 0.00 0.00 179.24 179.21 3d5g h THR 20 N 1.03 1.24 -0.96 0.35 2.02 -0.92 0.45 112.91 116.12 3d5g h THR 20 Ca 0.27 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3d5g h THR 20 Cb -0.04 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.46 3d5g h THR 20 CO -0.05 0.27 0.63 -0.07 0.37 0.00 0.00 175.52 176.67 3d5g h LEU 21 N 1.15 1.06 -0.41 2.58 3.38 -0.87 0.19 115.31 122.39 3d5g h LEU 21 Ca 0.29 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.09 3d5g h LEU 21 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3d5g h LEU 21 CO -0.05 0.74 -0.36 0.00 0.09 0.00 0.00 178.44 178.86 3d5g h ALA 22 N 1.38 0.59 -0.57 1.53 0.00 -0.79 0.87 119.26 122.28 3d5g h ALA 22 Ca 0.37 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d5g h ALA 22 Cb -0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3d5g h ALA 22 CO -0.11 0.68 0.35 -0.07 0.00 0.00 0.00 179.25 180.10 3d5g h LEU 23 N 0.78 0.68 -0.71 0.00 3.38 -0.48 -1.14 115.31 117.82 3d5g h LEU 23 Ca 0.07 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3d5g h LEU 23 Cb 0.95 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3d5g h LEU 23 CO 0.09 0.54 0.41 0.40 0.09 0.00 0.00 178.44 179.96 3d5g h ILE 24 N 0.77 0.97 0.00 1.22 2.04 -0.37 0.42 117.51 122.57 3d5g h ILE 24 Ca 0.20 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3d5g h ILE 24 Cb -0.02 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 3d5g h ILE 24 CO -0.04 0.14 -0.23 0.00 0.00 0.00 0.00 178.15 178.02 3d5g h ALA 25 N 1.37 1.51 -0.01 1.87 0.00 -0.15 -0.85 119.26 123.00 3d5g h ALA 25 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d5g h ALA 25 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d5g h ALA 25 CO -0.19 0.29 -0.00 1.17 0.00 0.00 0.00 179.25 180.52 3d5g n LYS 26 N -4.11 1.35 -4.14 0.00 4.81 -0.49 -4.93 118.16 110.65 3d5g n LYS 26 Ca -0.02 -0.52 -0.34 0.00 -0.87 0.00 0.00 58.31 56.56 3d5g n LYS 26 Cb 0.30 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.84 3d5g n LYS 26 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3d5g n ASN 27 N -0.37 -3.31 0.00 3.14 5.15 -0.33 -4.84 115.26 114.71 3d5g n ASN 27 Ca 0.21 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 3d5g n ASN 27 Cb 0.25 -3.02 0.00 0.00 -0.53 0.00 0.00 39.78 36.48 3d5g n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3d5g n GLY 28 N -1.52 -1.67 3.86 8.20 0.00 0.06 -4.87 105.19 109.26 3d5g n GLY 28 Ca 0.03 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3d5g n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d5g s PRO 29 N 0.00 3.79 0.05 1.61 0.04 -1.26 -5.00 135.00 134.24 3d5g s PRO 29 Ca 0.00 0.69 0.01 0.00 0.04 0.00 0.00 61.00 61.74 3d5g s PRO 29 Cb 0.00 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3d5g s PRO 29 CO 0.00 -0.24 0.14 0.71 0.04 0.00 0.00 177.00 177.64 3d5g s TYR 30 N -2.65 3.35 0.29 0.56 1.51 -1.26 -5.01 117.35 114.13 3d5g s TYR 30 Ca 0.55 0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.78 3d5g s TYR 30 Cb -0.10 -1.70 0.43 0.00 -0.11 0.00 0.00 41.96 40.47 3d5g s TYR 30 CO 0.37 0.56 1.85 -1.00 -1.11 0.00 0.00 175.55 176.22 3d5g h PRO 31 N 3.36 0.84 -6.39 -1.71 0.13 -1.98 -3.44 132.00 122.81 3d5g h PRO 31 Ca -0.47 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 63.84 3d5g h PRO 31 Cb 1.17 -0.14 -0.17 0.00 0.13 0.00 0.00 31.00 31.99 3d5g h PRO 31 CO 0.69 0.72 -0.72 0.71 -0.23 0.00 0.00 178.00 179.17 3d5g s TYR 32 N -5.30 2.82 0.53 1.56 2.02 -1.26 -5.00 117.35 112.72 3d5g s TYR 32 Ca -0.10 -0.09 0.34 0.00 -0.37 0.00 0.00 57.07 56.85 3d5g s TYR 32 Cb 0.16 -1.54 1.89 0.00 -0.40 0.00 0.00 41.96 42.07 3d5g s TYR 32 CO 0.80 0.38 2.22 -0.91 -1.57 0.00 0.00 175.55 176.47 3d5g h ASN 33 N 4.24 0.00 0.03 2.29 4.21 -2.05 -2.50 115.58 121.80 3d5g h ASN 33 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 3d5g h ASN 33 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 3d5g h ASN 33 CO 0.53 0.03 -0.07 0.54 -1.29 0.00 0.00 177.43 177.18 3d5g n ARG 34 N -3.47 1.56 -1.85 0.81 3.00 -1.26 -4.83 116.66 110.62 3d5g n ARG 34 Ca -0.02 -0.98 -0.42 0.00 -0.01 0.00 0.00 57.85 56.41 3d5g n ARG 34 Cb 0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.09 3d5g n ARG 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3d5g s ASP 35 N -2.12 6.54 0.00 0.55 -0.00 -0.95 -2.84 116.67 117.85 3d5g s ASP 35 Ca 0.33 2.58 0.00 0.00 -0.00 0.00 0.00 52.55 55.46 3d5g s ASP 35 Cb 0.20 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.56 3d5g s ASP 35 CO 0.38 -0.93 0.00 0.61 -0.00 0.00 0.00 175.17 175.22 3d5g n GLY 36 N 4.10 0.78 3.75 0.21 0.00 0.94 -5.00 105.19 109.97 3d5g n GLY 36 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3d5g n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d5g s VAL 37 N -2.47 2.85 0.22 1.61 -7.23 -1.13 -4.59 120.40 109.66 3d5g s VAL 37 Ca 0.00 0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 60.27 3d5g s VAL 37 Cb 0.00 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 33.88 3d5g s VAL 37 CO 0.00 -0.23 1.57 0.54 -0.31 0.00 0.00 175.10 176.67 3d5g s VAL 38 N -2.16 2.42 -0.49 1.32 0.11 -1.26 -1.30 120.40 119.04 3d5g s VAL 38 Ca 0.70 0.32 -0.18 0.00 -2.93 0.00 0.00 61.98 59.90 3d5g s VAL 38 Cb -0.24 -3.21 0.06 0.00 -1.53 0.00 0.00 36.38 31.46 3d5g s VAL 38 CO 0.42 0.04 0.53 0.12 -3.33 0.00 0.00 175.10 172.88 3d5g s PHE 39 N 0.61 3.12 -0.68 1.54 2.19 0.06 -4.78 117.98 120.05 3d5g s PHE 39 Ca 0.67 -0.66 0.24 0.00 0.33 0.00 0.00 56.93 57.50 3d5g s PHE 39 Cb -0.45 -3.37 0.91 0.00 -1.31 0.00 0.00 43.02 38.80 3d5g s PHE 39 CO 0.38 -0.93 1.72 0.39 1.83 0.00 0.00 175.22 178.61 3d5g n GLU 40 N 5.80 0.17 -3.57 10.12 1.02 -1.26 -4.34 120.64 128.57 3d5g n GLU 40 Ca -0.09 0.30 -0.19 0.00 -0.02 0.00 0.00 57.16 57.16 3d5g n GLU 40 Cb 0.45 -1.76 0.06 0.00 -0.02 0.00 0.00 31.44 30.17 3d5g n GLU 40 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3d5g n ASN 41 N -2.07 -1.65 -0.06 1.62 5.15 -1.26 -4.88 115.26 112.11 3d5g n ASN 41 Ca 0.04 -0.72 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 3d5g n ASN 41 Cb 0.29 -4.58 0.05 0.00 -0.53 0.00 0.00 39.78 35.01 3d5g n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3d5g h ARG 42 N -1.89 0.72 0.00 1.20 3.08 -1.98 -2.54 114.38 112.97 3d5g h ARG 42 Ca -0.60 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.08 3d5g h ARG 42 Cb 1.35 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3d5g h ARG 42 CO 0.53 0.99 0.00 0.39 -1.07 0.00 0.00 179.97 180.81 3d5g n GLU 43 N -4.04 0.75 -2.09 0.04 4.71 -1.26 -4.87 120.64 113.88 3d5g n GLU 43 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.95 3d5g n GLU 43 Cb 0.52 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.45 3d5g n GLU 43 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3d5g n SER 44 N -0.97 -5.12 0.22 1.62 7.64 -0.96 -4.86 113.62 111.19 3d5g n SER 44 Ca 0.17 0.20 0.09 0.00 1.01 0.00 0.00 58.87 60.34 3d5g n SER 44 Cb 0.08 -4.39 0.46 0.00 -1.01 0.00 0.00 64.21 59.35 3d5g n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3d5g h ARG 45 N 0.00 0.00 -6.20 1.43 3.08 -1.89 -3.43 114.38 107.37 3d5g h ARG 45 Ca -0.41 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.10 3d5g h ARG 45 Cb 1.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 3d5g h ARG 45 CO 0.53 0.25 -0.55 -0.51 -1.07 0.00 0.00 179.97 178.62 3d5g s LEU 46 N -6.95 3.80 0.30 3.04 1.43 -1.26 -4.94 118.68 114.09 3d5g s LEU 46 Ca -0.00 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 3d5g s LEU 46 Cb 0.11 -2.37 -0.14 0.00 0.03 0.00 0.00 46.19 43.82 3d5g s LEU 46 CO 0.64 0.02 1.00 -2.65 0.23 0.00 0.00 176.35 175.60 3d5g n PRO 47 N -0.72 1.35 -2.00 1.29 -0.02 -1.26 -4.85 135.00 128.79 3d5g n PRO 47 Ca -0.08 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3d5g n PRO 47 Cb 0.56 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3d5g n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3d5g s LYS 48 N -1.60 4.22 0.32 -0.52 2.20 -1.26 -5.00 119.74 118.11 3d5g s LYS 48 Ca 0.59 2.26 0.04 0.00 -0.36 0.00 0.00 55.97 58.49 3d5g s LYS 48 Cb -0.68 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 3d5g s LYS 48 CO 0.60 -0.67 0.17 0.15 -0.36 0.00 0.00 175.35 175.24 3d5g s LYS 49 N 2.28 1.66 1.08 4.03 -0.14 -1.26 -5.16 119.74 122.22 3d5g s LYS 49 Ca 0.71 -1.96 -0.12 0.00 -1.36 0.00 0.00 55.97 53.24 3d5g s LYS 49 Cb -0.39 -0.13 0.23 0.00 -1.68 0.00 0.00 37.83 35.86 3d5g s LYS 49 CO 0.31 -0.47 1.06 0.20 -0.76 0.00 0.00 175.35 175.69 3d5g s GLY 50 N -3.41 1.58 0.29 -3.33 0.00 -1.26 -4.91 107.32 96.28 3d5g s GLY 50 Ca 0.34 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.72 3d5g s GLY 50 CO 0.18 0.58 1.43 -1.31 0.00 0.00 0.00 173.10 173.99 3d5g s ASN 51 N -2.78 6.61 0.00 1.64 -0.87 -1.26 -2.47 114.94 115.82 3d5g s ASN 51 Ca 0.67 2.75 0.00 0.00 -1.57 0.00 0.00 52.86 54.71 3d5g s ASN 51 Cb -0.23 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.37 3d5g s ASN 51 CO 0.62 -0.71 0.00 0.61 -2.57 0.00 0.00 177.10 175.05 3d5g n GLY 52 N 1.66 0.84 0.34 0.66 0.00 -1.26 -4.95 105.19 102.48 3d5g n GLY 52 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 3d5g n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3d5g h TYR 53 N 0.00 0.97 -3.87 1.61 3.20 -1.82 -3.45 116.97 113.61 3d5g h TYR 53 Ca 0.00 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 61.18 3d5g h TYR 53 Cb 0.00 -0.32 -0.23 0.00 1.54 0.00 0.00 36.73 37.73 3d5g h TYR 53 CO 0.00 0.65 -0.75 0.71 -1.64 0.00 0.00 178.16 177.13 3d5g s TYR 54 N -5.74 2.77 0.11 -3.82 1.51 -1.26 -1.56 117.35 109.36 3d5g s TYR 54 Ca -0.11 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 3d5g s TYR 54 Cb 0.17 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3d5g s TYR 54 CO 0.79 0.18 -0.14 -1.01 -1.11 0.00 0.00 175.55 174.26 3d5g s HIS 55 N -0.63 1.37 0.06 2.71 3.76 -0.68 -0.76 115.29 121.12 3d5g s HIS 55 Ca 0.09 -0.52 0.10 0.00 -0.15 0.00 0.00 55.06 54.58 3d5g s HIS 55 Cb -0.11 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 32.81 3d5g s HIS 55 CO 0.01 0.12 -0.26 -1.83 -0.85 0.00 0.00 174.74 171.93 3d5g s GLU 56 N -2.35 1.68 -0.00 1.40 -1.05 -0.42 -0.59 118.70 117.36 3d5g s GLU 56 Ca 0.06 -1.15 0.01 0.00 -0.15 0.00 0.00 54.97 53.73 3d5g s GLU 56 Cb -0.07 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.70 3d5g s GLU 56 CO 0.03 0.49 -0.02 -0.06 0.95 0.00 0.00 175.26 176.65 3d5g s PHE 57 N -0.86 0.17 0.29 4.83 0.08 0.89 -0.04 117.98 123.33 3d5g s PHE 57 Ca 0.12 -0.03 -0.29 0.00 0.12 0.00 0.00 56.93 56.86 3d5g s PHE 57 Cb -0.10 -0.12 -0.09 0.00 -0.57 0.00 0.00 43.02 42.14 3d5g s PHE 57 CO 0.03 -0.01 1.09 0.99 -0.10 0.00 0.00 175.22 177.21 3d5g s THR 58 N 0.03 3.54 -0.07 0.64 2.01 -1.26 -0.50 115.64 120.02 3d5g s THR 58 Ca 0.00 1.50 0.05 0.00 0.31 0.00 0.00 61.69 63.55 3d5g s THR 58 Cb -0.02 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 3d5g s THR 58 CO -0.00 0.32 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.33 3d5g s VAL 59 N -1.22 2.20 0.20 3.82 1.01 -0.44 -4.80 120.40 121.16 3d5g s VAL 59 Ca 0.46 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 3d5g s VAL 59 Cb -0.30 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.17 3d5g s VAL 59 CO 0.39 0.56 1.26 -0.69 0.00 0.00 0.00 175.10 176.62 3d5g s VAL 60 N -0.02 3.36 -0.33 2.92 1.01 -1.26 -4.30 120.40 121.77 3d5g s VAL 60 Ca -0.07 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 3d5g s VAL 60 Cb -0.15 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3d5g s VAL 60 CO 0.05 0.18 0.23 -0.89 0.00 0.00 0.00 175.10 174.67 3d5g s THR 61 N -0.02 5.26 0.59 3.92 2.01 -1.26 -4.80 115.64 121.34 3d5g s THR 61 Ca 0.54 -0.19 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 3d5g s THR 61 Cb -0.35 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3d5g s THR 61 CO 0.38 0.01 1.20 -0.81 -0.69 0.00 0.00 174.62 174.71 3d5g n PRO 62 N 5.10 1.26 0.00 4.92 -0.04 -1.26 -2.54 135.00 142.44 3d5g n PRO 62 Ca -0.13 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3d5g n PRO 62 Cb 0.50 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3d5g n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3d5g n GLY 63 N 1.00 1.58 3.38 0.55 0.00 -1.26 -5.00 105.19 105.44 3d5g n GLY 63 Ca 0.13 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3d5g n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d5g n SER 64 N 3.01 -2.08 0.02 1.61 2.88 -1.05 -4.94 113.62 113.07 3d5g n SER 64 Ca 0.00 0.68 -0.18 0.00 -1.33 0.00 0.00 58.87 58.03 3d5g n SER 64 Cb 0.00 -1.06 -0.11 0.00 -0.75 0.00 0.00 64.21 62.29 3d5g n SER 64 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3d5g h ASN 65 N 0.06 0.63 -0.40 -3.46 -1.07 -1.94 -3.49 115.58 105.90 3d5g h ASN 65 Ca -0.44 -0.77 -0.65 0.00 0.07 0.00 0.00 56.30 54.51 3d5g h ASN 65 Cb 1.41 -0.19 -0.10 0.00 -2.07 0.00 0.00 38.32 37.36 3d5g h ASN 65 CO 0.44 1.32 -0.44 1.51 0.07 0.00 0.00 177.43 180.33 3d5g s ASP 66 N -6.91 4.31 0.34 6.14 -4.77 -1.26 -5.03 116.67 109.49 3d5g s ASP 66 Ca -0.12 -1.52 0.09 0.00 -3.30 0.00 0.00 52.55 47.70 3d5g s ASP 66 Cb 0.04 0.51 0.82 0.00 -1.09 0.00 0.00 42.92 43.20 3d5g s ASP 66 CO 0.85 -0.95 1.83 0.03 0.70 0.00 0.00 175.17 177.62 3d5g h ARG 67 N 1.13 0.67 0.00 2.11 3.08 -1.96 -3.45 114.38 115.96 3d5g h ARG 67 Ca -0.41 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3d5g h ARG 67 Cb 1.31 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3d5g h ARG 67 CO 0.68 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 180.44 3d5g n GLY 68 N -1.40 -1.52 0.00 0.04 0.00 -1.26 -4.38 105.19 96.67 3d5g n GLY 68 Ca 0.20 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.80 3d5g n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d5g n THR 69 N 0.00 0.00 -2.79 2.61 -2.24 -1.26 -4.94 114.28 105.66 3d5g n THR 69 Ca 0.00 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3d5g n THR 69 Cb 0.00 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 3d5g n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3d5g s ARG 70 N -2.45 4.62 0.01 -0.78 0.52 -1.26 0.35 118.95 119.95 3d5g s ARG 70 Ca 0.01 1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 56.46 3d5g s ARG 70 Cb 0.09 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 32.17 3d5g s ARG 70 CO 0.53 0.16 0.21 1.03 0.02 0.00 0.00 175.30 177.25 3d5g s ARG 71 N 0.25 0.60 -0.05 3.54 1.81 0.30 -1.33 118.95 124.07 3d5g s ARG 71 Ca 0.46 -0.38 0.04 0.00 -1.72 0.00 0.00 55.73 54.13 3d5g s ARG 71 Cb -0.22 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.52 3d5g s ARG 71 CO 0.28 -0.16 -0.18 0.08 -0.68 0.00 0.00 175.30 174.64 3d5g s VAL 72 N -1.66 2.76 -0.12 3.52 1.01 0.35 -1.31 120.40 124.93 3d5g s VAL 72 Ca -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3d5g s VAL 72 Cb -0.05 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 3d5g s VAL 72 CO 0.01 0.58 -0.20 -0.69 0.00 0.00 0.00 175.10 174.80 3d5g s VAL 73 N -0.52 2.37 0.09 2.92 1.01 -0.32 -0.07 120.40 125.87 3d5g s VAL 73 Ca 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3d5g s VAL 73 Cb -0.11 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3d5g s VAL 73 CO 0.01 0.54 0.20 0.42 0.00 0.00 0.00 175.10 176.27 3d5g s THR 74 N 0.53 5.15 0.50 3.92 -4.23 0.24 -0.35 115.64 121.40 3d5g s THR 74 Ca -0.12 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 3d5g s THR 74 Cb -0.17 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.13 3d5g s THR 74 CO 0.04 0.06 0.33 -0.83 -0.54 0.00 0.00 174.62 173.68 3d5g s GLY 75 N -2.72 2.38 0.36 3.99 0.00 0.00 -1.68 107.32 109.65 3d5g s GLY 75 Ca 0.34 -1.44 0.27 0.00 0.00 0.00 0.00 44.72 43.88 3d5g s GLY 75 CO 0.27 -1.92 1.80 -1.33 0.00 0.00 0.00 173.10 171.92 3d5g h GLY 76 N 0.96 0.00 -0.91 0.20 0.00 -1.61 -1.87 103.07 99.84 3d5g h GLY 76 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3d5g h GLY 76 CO 0.61 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.43 3d5g n TYR 77 N -2.46 0.52 -0.49 5.60 4.01 -1.26 -4.96 117.16 118.11 3d5g n TYR 77 Ca 0.00 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 3d5g n TYR 77 Cb 0.17 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3d5g n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d5g n GLY 78 N -0.76 0.75 3.70 2.72 0.00 -0.70 -5.06 105.19 105.83 3d5g n GLY 78 Ca 0.17 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3d5g n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d5g n GLU 79 N -2.49 1.55 -4.29 1.61 4.71 -1.25 -4.81 120.64 115.66 3d5g n GLU 79 Ca 0.00 0.57 -0.19 0.00 -0.01 0.00 0.00 57.16 57.52 3d5g n GLU 79 Cb 0.00 -2.40 -0.15 0.00 -1.01 0.00 0.00 31.44 27.88 3d5g n GLU 79 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3d5g s GLN 80 N -2.63 0.82 0.04 3.49 -0.21 -1.26 -0.82 119.66 119.10 3d5g s GLN 80 Ca 0.69 -0.23 0.07 0.00 0.02 0.00 0.00 55.36 55.91 3d5g s GLN 80 Cb -0.45 -0.79 -0.03 0.00 1.00 0.00 0.00 33.01 32.75 3d5g s GLN 80 CO 0.51 0.07 -0.20 0.71 -2.12 0.00 0.00 175.29 174.26 3d5g s TYR 81 N 0.30 1.76 -0.14 0.91 1.51 0.52 -0.70 117.35 121.50 3d5g s TYR 81 Ca -0.04 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 3d5g s TYR 81 Cb -0.09 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.68 3d5g s TYR 81 CO 0.00 0.09 -0.00 -0.46 -1.11 0.00 0.00 175.55 174.07 3d5g s TRP 82 N -0.81 3.11 -0.23 2.71 -0.00 0.25 -1.17 118.94 122.79 3d5g s TRP 82 Ca 0.07 -0.08 -0.01 0.00 -0.00 0.00 0.00 56.10 56.07 3d5g s TRP 82 Cb -0.09 -1.95 0.07 0.00 -0.00 0.00 0.00 33.47 31.50 3d5g s TRP 82 CO 0.02 0.14 0.02 0.45 -0.00 0.00 0.00 176.95 177.57 3d5g s SER 83 N 0.06 3.43 0.00 5.86 0.15 -0.43 -1.09 113.70 121.67 3d5g s SER 83 Ca 0.02 -1.09 0.29 0.00 0.70 0.00 0.00 55.95 55.86 3d5g s SER 83 Cb -0.13 -0.84 1.52 0.00 -1.71 0.00 0.00 66.02 64.87 3d5g s SER 83 CO 0.02 -0.30 2.01 -0.81 1.20 0.00 0.00 173.24 175.35 3d5g n PRO 84 N 4.89 0.56 -2.60 5.44 -0.04 -1.26 -0.54 135.00 141.46 3d5g n PRO 84 Ca -0.09 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.31 3d5g n PRO 84 Cb 0.45 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 3d5g n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d5g n ASP 85 N -1.20 2.55 -3.78 3.54 5.68 -1.24 -4.02 116.55 118.09 3d5g n ASP 85 Ca 0.16 -2.59 -0.24 0.00 -0.50 0.00 0.00 54.79 51.62 3d5g n ASP 85 Cb 0.18 -0.45 0.02 0.00 -1.14 0.00 0.00 41.12 39.74 3d5g n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3d5g n HIS 86 N -0.58 -1.96 -1.04 2.11 -0.00 0.15 -2.73 115.22 111.17 3d5g n HIS 86 Ca 0.18 0.84 -0.01 0.00 -0.00 0.00 0.00 57.72 58.73 3d5g n HIS 86 Cb 0.84 -4.22 -0.01 0.00 -0.00 0.00 0.00 29.99 26.61 3d5g n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3d5g n TYR 87 N -4.38 0.00 -0.06 1.57 4.01 -1.26 -4.92 117.16 112.12 3d5g n TYR 87 Ca -0.23 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.39 3d5g n TYR 87 Cb 0.65 -0.57 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 3d5g n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d5g h ALA 88 N 0.00 0.25 -2.24 -0.72 0.00 -1.92 -3.46 119.26 111.18 3d5g h ALA 88 Ca -0.03 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 3d5g h ALA 88 Cb 0.16 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 3d5g h ALA 88 CO 0.04 0.09 -0.70 0.95 0.00 0.00 0.00 179.25 179.64 3d5g s THR 89 N -4.52 0.67 0.00 0.00 -4.23 -1.26 -5.09 115.64 101.21 3d5g s THR 89 Ca -0.14 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3d5g s THR 89 Cb 0.06 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 3d5g s THR 89 CO 0.75 -0.88 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.56 3d5g s PHE 90 N -3.64 0.35 -0.02 3.99 0.40 -1.26 -4.38 117.98 113.42 3d5g s PHE 90 Ca 0.12 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 3d5g s PHE 90 Cb 0.05 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.34 3d5g s PHE 90 CO -0.05 -0.02 -0.25 -0.65 0.70 0.00 0.00 175.22 174.95 3d5g s GLN 91 N -0.30 2.16 -0.13 0.44 -0.21 -0.25 -4.35 119.66 117.03 3d5g s GLN 91 Ca -0.01 -0.90 -0.25 0.00 0.02 0.00 0.00 55.36 54.22 3d5g s GLN 91 Cb -0.03 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 3d5g s GLN 91 CO -0.00 0.56 0.81 -2.00 -2.12 0.00 0.00 175.29 172.54 3d5g s GLU 92 N -0.61 4.36 -0.18 2.91 2.12 0.14 -0.59 118.70 126.85 3d5g s GLU 92 Ca 0.10 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 3d5g s GLU 92 Cb -0.10 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 3d5g s GLU 92 CO -0.01 -0.20 1.00 0.42 -0.54 0.00 0.00 175.26 175.94 3d5g s ILE 93 N 1.69 4.74 -0.39 -3.70 1.01 0.12 -0.48 121.20 124.19 3d5g s ILE 93 Ca 0.39 1.99 -0.20 0.00 0.00 0.00 0.00 60.65 62.83 3d5g s ILE 93 Cb -0.17 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.02 3d5g s ILE 93 CO 0.15 -0.09 0.62 -0.62 0.00 0.00 0.00 174.94 175.00 3d5g s ASP 94 N 1.16 6.36 0.00 3.58 -1.08 0.44 -4.63 116.67 122.50 3d5g s ASP 94 Ca 0.45 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.58 3d5g s ASP 94 Cb -0.16 -2.31 0.89 0.00 -1.46 0.00 0.00 42.92 39.87 3d5g s ASP 94 CO 0.11 -0.66 1.63 -0.81 0.52 0.00 0.00 175.17 175.96 3d5g n PRO 95 N 6.09 0.08 0.00 4.34 -0.04 -1.26 -1.93 135.00 142.28 3d5g n PRO 95 Ca -0.02 0.14 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3d5g n PRO 95 Cb 0.48 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.78 3d5g n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3d5g n ARG 96 N -1.44 0.41 0.00 0.54 1.74 -1.26 -4.86 116.66 111.79 3d5g n ARG 96 Ca 0.06 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3d5g n ARG 96 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3d5g n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11