#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5g n PRO 3 N 0.00 0.00 -0.57 -0.24 -0.02 -1.26 -4.97 135.00 127.95 3d5g n PRO 3 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 3d5g n PRO 3 Cb 0.00 -0.87 0.27 0.00 -0.02 0.00 0.00 33.50 32.88 3d5g n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d5g n ALA 4 N 0.30 -4.33 -2.82 3.55 0.00 -1.26 -5.03 120.51 110.92 3d5g n ALA 4 Ca 0.14 -1.53 -0.35 0.00 0.00 0.00 0.00 53.44 51.70 3d5g n ALA 4 Cb 0.16 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 3d5g n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d5g s LEU 5 N 0.00 3.72 0.54 0.00 1.43 -1.26 -5.10 118.68 118.01 3d5g s LEU 5 Ca 0.67 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.66 3d5g s LEU 5 Cb -0.09 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 3d5g s LEU 5 CO 0.54 0.24 0.97 0.00 0.23 0.00 0.00 176.35 178.33 3d5g n ALA 6 N 3.08 0.20 -2.74 4.21 0.00 -1.26 -4.72 120.51 119.27 3d5g n ALA 6 Ca -0.17 0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 3d5g n ALA 6 Cb 0.53 -2.10 -0.05 0.00 0.00 0.00 0.00 19.45 17.83 3d5g n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3d5g s ASP 7 N -1.04 6.48 -0.05 0.00 1.01 -1.26 -0.55 116.67 121.26 3d5g s ASP 7 Ca 0.71 0.54 0.01 0.00 0.71 0.00 0.00 52.55 54.51 3d5g s ASP 7 Cb -0.46 -2.08 0.02 0.00 1.01 0.00 0.00 42.92 41.42 3d5g s ASP 7 CO 0.51 0.17 -0.04 0.54 0.21 0.00 0.00 175.17 176.56 3d5g s VAL 8 N -1.46 0.50 0.27 -1.27 0.11 -0.25 -4.87 120.40 113.42 3d5g s VAL 8 Ca 0.34 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.01 3d5g s VAL 8 Cb -0.13 -0.55 -0.10 0.00 -1.53 0.00 0.00 36.38 34.07 3d5g s VAL 8 CO 0.21 0.23 1.44 0.00 -3.33 0.00 0.00 175.10 173.65 3d5g h ARG 10 N 4.75 0.51 0.00 0.00 1.12 -0.88 -0.58 114.38 119.30 3d5g h ARG 10 Ca -0.47 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 3d5g h ARG 10 Cb 1.22 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 3d5g h ARG 10 CO 0.76 0.34 0.00 1.79 -3.11 0.00 0.00 179.97 179.74 3d5g h THR 11 N 0.52 0.00 -0.00 0.20 1.35 -1.74 -2.48 112.91 110.76 3d5g h THR 11 Ca 0.52 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3d5g h THR 11 Cb 0.87 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3d5g h THR 11 CO -0.44 0.00 -0.23 0.29 -0.25 0.00 0.00 175.52 174.89 3d5g n LYS 12 N -2.85 0.32 -1.85 4.72 4.76 -0.23 -4.88 118.16 118.14 3d5g n LYS 12 Ca 0.00 -0.13 -0.33 0.00 -2.87 0.00 0.00 58.31 54.99 3d5g n LYS 12 Cb 0.24 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3d5g n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d5g s LEU 13 N -2.77 3.42 0.62 -0.35 1.43 -0.94 -5.00 118.68 115.09 3d5g s LEU 13 Ca 0.19 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 55.03 3d5g s LEU 13 Cb 0.19 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 3d5g s LEU 13 CO 0.57 -1.45 0.57 -2.65 0.23 0.00 0.00 176.35 173.62 3d5g n PRO 14 N -2.31 0.49 -0.16 1.29 -0.02 -1.26 -4.74 135.00 128.29 3d5g n PRO 14 Ca 0.10 0.20 -0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3d5g n PRO 14 Cb 0.52 -1.79 0.24 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.08 0.79 0.47 2.55 4.64 -1.95 -1.73 113.55 118.41 3d5g h SER 15 Ca -0.46 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 60.68 3d5g h SER 15 Cb 1.38 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3d5g h SER 15 CO 0.46 0.65 -0.54 1.56 -0.87 0.00 0.00 176.83 178.09 3d5g h GLN 16 N 0.90 0.07 -0.23 4.77 1.08 -1.89 -0.71 115.11 119.10 3d5g h GLN 16 Ca 0.23 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 3d5g h GLN 16 Cb 0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3d5g h GLN 16 CO -0.04 0.60 0.05 0.00 -0.95 0.00 0.00 178.83 178.49 3d5g h ALA 17 N 1.40 0.31 -0.69 3.87 0.00 -1.72 -1.23 119.26 121.19 3d5g h ALA 17 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3d5g h ALA 17 Cb 0.97 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3d5g h ALA 17 CO 0.07 -0.04 0.42 1.96 0.00 0.00 0.00 179.25 181.66 3d5g h GLN 18 N 0.19 0.78 -0.85 0.00 4.20 -1.14 -1.01 115.11 117.29 3d5g h GLN 18 Ca 0.07 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.83 3d5g h GLN 18 Cb 0.29 -0.18 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 3d5g h GLN 18 CO 0.00 0.52 0.50 -0.44 -0.67 0.00 0.00 178.83 178.74 3d5g h ASP 19 N 0.81 0.71 -0.41 1.46 3.32 -0.90 -1.66 116.42 119.76 3d5g h ASP 19 Ca 0.28 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3d5g h ASP 19 Cb 0.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3d5g h ASP 19 CO -0.12 0.40 0.08 0.74 -1.72 0.00 0.00 179.24 178.62 3d5g h THR 20 N 0.82 1.24 -0.72 0.35 2.02 -0.62 -1.20 112.91 114.80 3d5g h THR 20 Ca 0.41 -0.83 0.13 0.00 0.77 0.00 0.00 66.41 66.89 3d5g h THR 20 Cb 0.39 1.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.70 3d5g h THR 20 CO -0.25 0.29 0.28 -0.07 0.37 0.00 0.00 175.52 176.13 3d5g h LEU 21 N 0.52 0.25 -0.63 2.58 3.38 -0.80 0.55 115.31 121.17 3d5g h LEU 21 Ca 0.13 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3d5g h LEU 21 Cb 0.34 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3d5g h LEU 21 CO 0.00 0.11 0.04 0.00 0.09 0.00 0.00 178.44 178.68 3d5g h ALA 22 N 1.52 0.84 -0.20 1.53 0.00 -1.17 0.05 119.26 121.83 3d5g h ALA 22 Ca 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d5g h ALA 22 Cb 0.57 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3d5g h ALA 22 CO -0.39 0.65 0.08 -0.07 0.00 0.00 0.00 179.25 179.52 3d5g h LEU 23 N 0.98 0.29 -1.10 0.00 3.38 -0.37 -2.33 115.31 116.16 3d5g h LEU 23 Ca 0.18 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3d5g h LEU 23 Cb 0.52 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3d5g h LEU 23 CO 0.02 0.38 0.61 0.40 0.09 0.00 0.00 178.44 179.95 3d5g h ILE 24 N 0.17 1.07 0.00 1.22 2.04 -0.69 -1.27 117.51 120.05 3d5g h ILE 24 Ca 0.07 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3d5g h ILE 24 Cb 0.19 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3d5g h ILE 24 CO -0.00 0.20 -0.17 0.00 0.00 0.00 0.00 178.15 178.18 3d5g h ALA 25 N 1.49 1.12 -0.61 1.87 0.00 -0.47 -1.14 119.26 121.52 3d5g h ALA 25 Ca 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3d5g h ALA 25 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d5g h ALA 25 CO -0.16 0.21 0.00 0.36 0.00 0.00 0.00 179.25 179.66 3d5g n LYS 26 N -3.46 3.48 -3.68 0.00 2.85 -0.97 -4.98 118.16 111.40 3d5g n LYS 26 Ca -0.01 -2.78 -0.22 0.00 -1.05 0.00 0.00 58.31 54.25 3d5g n LYS 26 Cb 0.34 -1.79 0.04 0.00 -0.65 0.00 0.00 35.03 32.97 3d5g n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3d5g n ASN 27 N 1.04 -2.24 0.00 -5.58 5.15 -0.43 -4.77 115.26 108.43 3d5g n ASN 27 Ca 0.24 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 3d5g n ASN 27 Cb 0.81 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 35.79 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 -1.55 -0.87 3.76 8.20 0.00 -0.52 -4.80 105.19 109.40 3d5g n GLY 28 Ca -0.22 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 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 3.36 -0.16 1.61 0.04 -1.26 -4.95 135.00 133.63 3d5g s PRO 29 Ca 0.00 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 3d5g s PRO 29 Cb 0.00 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3d5g s PRO 29 CO 0.00 -0.94 0.23 0.71 0.04 0.00 0.00 177.00 177.04 3d5g s TYR 30 N -1.44 3.48 0.06 0.56 1.51 -1.26 -5.01 117.35 115.25 3d5g s TYR 30 Ca 0.69 0.53 0.11 0.00 -1.01 0.00 0.00 57.07 57.39 3d5g s TYR 30 Cb -0.34 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.29 3d5g s TYR 30 CO 0.40 0.34 1.40 -1.00 -1.11 0.00 0.00 175.55 175.59 3d5g h PRO 31 N 6.34 0.00 -5.92 -1.71 0.13 -1.98 -3.47 132.00 125.39 3d5g h PRO 31 Ca -0.43 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 3d5g h PRO 31 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 3d5g h PRO 31 CO 0.73 0.76 -0.63 0.71 -0.23 0.00 0.00 178.00 179.33 3d5g s TYR 32 N -2.96 3.12 0.30 1.56 2.02 -1.26 -5.02 117.35 115.11 3d5g s TYR 32 Ca 0.02 0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.88 3d5g s TYR 32 Cb 0.10 -1.80 0.80 0.00 -0.40 0.00 0.00 41.96 40.65 3d5g s TYR 32 CO 0.78 0.40 1.62 -0.97 -1.57 0.00 0.00 175.55 175.80 3d5g h ASN 33 N 5.36 -0.10 -0.53 2.29 -1.24 -2.04 -0.05 115.58 119.27 3d5g h ASN 33 Ca -0.48 0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.76 3d5g h ASN 33 Cb 1.19 0.33 0.00 0.00 0.73 0.00 0.00 38.32 40.57 3d5g h ASN 33 CO 0.55 -0.25 0.00 0.54 -1.29 0.00 0.00 177.43 176.98 3d5g n ARG 34 N -5.31 4.01 -2.02 6.67 1.74 -1.26 -4.91 116.66 115.58 3d5g n ARG 34 Ca 0.24 -2.66 -0.42 0.00 -0.77 0.00 0.00 57.85 54.24 3d5g n ARG 34 Cb 0.78 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 3d5g n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d5g s ASP 35 N -0.74 6.68 0.00 0.55 -0.00 -0.03 -2.42 116.67 120.70 3d5g s ASP 35 Ca 0.47 2.54 0.00 0.00 -0.00 0.00 0.00 52.55 55.55 3d5g s ASP 35 Cb 0.33 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.66 3d5g s ASP 35 CO 0.17 -0.74 0.00 0.61 -0.00 0.00 0.00 175.17 175.21 3d5g n GLY 36 N 3.36 0.77 3.84 0.21 0.00 0.51 -5.00 105.19 108.88 3d5g n GLY 36 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.93 4.06 0.18 1.61 -7.23 -1.02 -4.76 120.40 110.32 3d5g s VAL 37 Ca 0.00 0.67 -0.32 0.00 -1.81 0.00 0.00 61.98 60.52 3d5g s VAL 37 Cb 0.00 -3.51 -0.11 0.00 0.56 0.00 0.00 36.38 33.32 3d5g s VAL 37 CO 0.00 -0.88 1.74 -0.69 -0.31 0.00 0.00 175.10 174.96 3d5g s VAL 38 N -3.12 2.25 -0.34 1.32 1.01 -1.26 -1.38 120.40 118.88 3d5g s VAL 38 Ca 0.57 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.43 3d5g s VAL 38 Cb -0.13 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 3d5g s VAL 38 CO 0.54 0.00 0.64 0.12 0.00 0.00 0.00 175.10 176.40 3d5g s PHE 39 N 1.67 3.17 -0.81 5.22 2.19 0.13 -4.76 117.98 124.78 3d5g s PHE 39 Ca 0.76 0.42 0.26 0.00 0.33 0.00 0.00 56.93 58.70 3d5g s PHE 39 Cb -0.48 -3.10 0.69 0.00 -1.31 0.00 0.00 43.02 38.82 3d5g s PHE 39 CO 0.33 -0.58 1.59 0.39 1.83 0.00 0.00 175.22 178.78 3d5g n GLU 40 N 6.00 0.16 -2.08 10.12 1.02 -1.26 -4.38 120.64 130.23 3d5g n GLU 40 Ca -0.01 0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 57.03 3d5g n GLU 40 Cb 0.49 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.89 -5.27 0.15 1.62 5.15 -1.26 -4.84 115.26 108.91 3d5g n ASN 41 Ca 0.05 0.14 0.12 0.00 -0.60 0.00 0.00 54.58 54.29 3d5g n ASN 41 Cb 0.39 -4.35 0.53 0.00 -0.53 0.00 0.00 39.78 35.82 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 0.00 0.00 -0.02 1.20 3.08 -1.99 0.15 114.38 116.79 3d5g h ARG 42 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3d5g h ARG 42 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3d5g h ARG 42 CO 0.52 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.81 3d5g n GLU 43 N -2.30 1.25 -4.03 0.04 1.02 -1.26 -4.91 120.64 110.44 3d5g n GLU 43 Ca 0.01 -0.37 -0.32 0.00 -0.02 0.00 0.00 57.16 56.46 3d5g n GLU 43 Cb 0.19 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3d5g n GLU 43 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3d5g n SER 44 N -0.51 -3.82 0.12 1.62 7.64 0.51 -4.89 113.62 114.30 3d5g n SER 44 Ca 0.20 -0.89 0.09 0.00 1.01 0.00 0.00 58.87 59.28 3d5g n SER 44 Cb 0.19 -3.40 0.03 0.00 -1.01 0.00 0.00 64.21 60.01 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 -1.84 0.00 -6.19 1.43 3.08 -1.91 -3.46 114.38 105.49 3d5g h ARG 45 Ca -0.59 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 58.95 3d5g h ARG 45 Cb 1.38 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.38 3d5g h ARG 45 CO 0.71 0.09 -0.50 -0.51 -1.07 0.00 0.00 179.97 178.68 3d5g s LEU 46 N -5.73 3.64 0.32 3.04 1.43 -1.26 -4.91 118.68 115.21 3d5g s LEU 46 Ca 0.01 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.41 3d5g s LEU 46 Cb 0.08 -2.20 -0.13 0.00 0.03 0.00 0.00 46.19 43.97 3d5g s LEU 46 CO 0.76 -0.19 1.20 -2.65 0.23 0.00 0.00 176.35 175.71 3d5g n PRO 47 N -1.24 1.89 -1.70 1.29 -0.02 -1.26 -4.88 135.00 129.07 3d5g n PRO 47 Ca -0.05 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3d5g n PRO 47 Cb 0.59 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 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 -1.77 4.14 0.30 -0.52 2.20 -1.26 -4.98 119.74 117.86 3d5g s LYS 48 Ca 0.56 2.59 0.05 0.00 -0.36 0.00 0.00 55.97 58.81 3d5g s LYS 48 Cb -0.61 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 31.71 3d5g s LYS 48 CO 0.61 -0.91 0.25 0.15 -0.36 0.00 0.00 175.35 175.09 3d5g s LYS 49 N 3.88 1.63 0.82 4.03 -0.14 -1.26 -5.15 119.74 123.55 3d5g s LYS 49 Ca 0.85 -1.92 -0.14 0.00 -1.36 0.00 0.00 55.97 53.40 3d5g s LYS 49 Cb -0.43 0.32 0.04 0.00 -1.68 0.00 0.00 37.83 36.07 3d5g s LYS 49 CO 0.39 -0.59 0.80 0.41 -0.76 0.00 0.00 175.35 175.60 3d5g n GLY 50 N -0.54 -0.98 3.64 -3.33 0.00 -1.26 -4.93 105.19 97.80 3d5g n GLY 50 Ca 0.06 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 3d5g n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d5g n ASN 51 N -1.91 1.84 -0.55 1.61 4.13 -1.26 -2.23 115.26 116.89 3d5g n ASN 51 Ca 0.11 1.12 -0.07 0.00 1.68 0.00 0.00 54.58 57.42 3d5g n ASN 51 Cb 0.51 -1.39 -0.03 0.00 -1.54 0.00 0.00 39.78 37.32 3d5g n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d5g n GLY 52 N 1.03 0.76 0.29 7.41 0.00 -1.26 -4.85 105.19 108.57 3d5g n GLY 52 Ca 0.08 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.06 -2.87 1.61 3.20 -1.74 -3.44 116.97 114.78 3d5g h TYR 53 Ca -0.15 -0.20 -0.63 0.00 3.14 0.00 0.00 58.73 60.89 3d5g h TYR 53 Cb 0.95 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 3d5g h TYR 53 CO 0.50 0.99 -0.44 0.71 -1.64 0.00 0.00 178.16 178.29 3d5g s TYR 54 N -4.86 3.56 0.10 -3.82 1.51 -1.26 -2.67 117.35 109.91 3d5g s TYR 54 Ca -0.11 0.46 0.06 0.00 -1.01 0.00 0.00 57.07 56.48 3d5g s TYR 54 Cb 0.13 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 3d5g s TYR 54 CO 0.85 0.62 -0.16 -1.01 -1.11 0.00 0.00 175.55 174.74 3d5g s HIS 55 N -1.33 1.47 0.15 2.71 3.76 -0.80 -0.69 115.29 120.56 3d5g s HIS 55 Ca 0.28 -0.47 0.11 0.00 -0.15 0.00 0.00 55.06 54.83 3d5g s HIS 55 Cb -0.13 -0.80 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 3d5g s HIS 55 CO 0.18 0.14 -0.26 -1.83 -0.85 0.00 0.00 174.74 172.12 3d5g s GLU 56 N -2.07 1.43 -0.03 1.40 -1.05 -0.48 -0.58 118.70 117.33 3d5g s GLU 56 Ca 0.04 -1.40 -0.04 0.00 -0.15 0.00 0.00 54.97 53.42 3d5g s GLU 56 Cb -0.09 -1.87 0.01 0.00 -0.44 0.00 0.00 34.13 31.74 3d5g s GLU 56 CO 0.03 0.43 0.10 -0.06 0.95 0.00 0.00 175.26 176.71 3d5g s PHE 57 N -1.25 -0.05 0.08 4.83 0.08 0.31 -0.36 117.98 121.62 3d5g s PHE 57 Ca 0.16 0.12 -0.23 0.00 0.12 0.00 0.00 56.93 57.11 3d5g s PHE 57 Cb -0.09 -0.00 -0.07 0.00 -0.57 0.00 0.00 43.02 42.29 3d5g s PHE 57 CO 0.07 -0.12 0.68 0.99 -0.10 0.00 0.00 175.22 176.74 3d5g s THR 58 N -0.38 4.64 -0.17 0.64 2.01 -1.26 -1.21 115.64 119.91 3d5g s THR 58 Ca -0.05 1.46 -0.02 0.00 0.31 0.00 0.00 61.69 63.39 3d5g s THR 58 Cb -0.03 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 3d5g s THR 58 CO 0.00 0.49 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 3d5g s VAL 59 N -0.77 3.26 0.19 3.82 1.01 -0.78 -4.86 120.40 122.27 3d5g s VAL 59 Ca 0.33 -0.56 -0.33 0.00 0.00 0.00 0.00 61.98 61.42 3d5g s VAL 59 Cb -0.21 -2.42 -0.14 0.00 0.00 0.00 0.00 36.38 33.61 3d5g s VAL 59 CO 0.22 0.48 1.46 0.52 0.00 0.00 0.00 175.10 177.77 3d5g n VAL 60 N 4.08 0.50 -3.72 2.92 0.31 -1.26 -4.34 118.33 116.82 3d5g n VAL 60 Ca -0.18 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.64 3d5g n VAL 60 Cb 0.52 -1.41 -0.12 0.00 -0.91 0.00 0.00 33.84 31.92 3d5g n VAL 60 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3d5g s THR 61 N 0.36 3.77 0.26 2.52 2.01 -1.26 -4.82 115.64 118.48 3d5g s THR 61 Ca 0.74 -1.40 0.05 0.00 0.31 0.00 0.00 61.69 61.39 3d5g s THR 61 Cb -0.70 -3.27 0.33 0.00 0.01 0.00 0.00 72.50 68.88 3d5g s THR 61 CO 0.45 -0.36 1.28 -2.65 -0.69 0.00 0.00 174.62 172.64 3d5g n PRO 62 N 4.79 -0.06 0.07 4.92 -0.02 -1.26 -2.02 135.00 141.43 3d5g n PRO 62 Ca -0.10 1.20 -0.04 0.00 -2.02 0.00 0.00 63.50 62.54 3d5g n PRO 62 Cb 0.43 -1.96 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 3d5g n PRO 62 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3d5g h GLY 63 N 0.00 0.00 -1.81 -1.23 0.00 -1.99 -3.49 103.07 94.55 3d5g h GLY 63 Ca 0.53 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.36 3d5g h GLY 63 CO -0.74 0.00 0.39 -0.56 0.00 0.00 0.00 176.54 175.63 3d5g s SER 64 N -6.51 5.45 0.00 0.19 0.01 -0.85 -4.94 113.70 107.05 3d5g s SER 64 Ca 0.01 2.00 0.24 0.00 1.31 0.00 0.00 55.95 59.51 3d5g s SER 64 Cb 0.09 -2.55 0.80 0.00 0.21 0.00 0.00 66.02 64.56 3d5g s SER 64 CO 0.80 -1.40 1.59 -0.46 0.41 0.00 0.00 173.24 174.18 3d5g n ASN 65 N -2.00 1.86 -3.65 2.44 2.04 -1.26 -4.94 115.26 109.75 3d5g n ASN 65 Ca 0.10 -1.67 -0.21 0.00 -0.44 0.00 0.00 54.58 52.36 3d5g n ASN 65 Cb 0.52 -0.07 -0.08 0.00 -2.53 0.00 0.00 39.78 37.62 3d5g n ASN 65 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 3d5g s ASP 66 N -1.77 1.87 0.00 0.53 1.47 -1.26 -5.03 116.67 112.48 3d5g s ASP 66 Ca 0.35 -1.71 0.16 0.00 1.18 0.00 0.00 52.55 52.53 3d5g s ASP 66 Cb 0.19 0.53 0.74 0.00 -0.34 0.00 0.00 42.92 44.04 3d5g s ASP 66 CO 0.30 -1.01 1.50 0.54 0.68 0.00 0.00 175.17 177.18 3d5g n ARG 67 N -0.68 0.08 0.00 2.11 1.74 -1.26 -4.86 116.66 113.80 3d5g n ARG 67 Ca 0.03 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3d5g n ARG 67 Cb 0.63 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 3d5g n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d5g n GLY 68 N 0.14 0.38 0.00 -0.13 0.00 -1.26 -4.49 105.19 99.84 3d5g n GLY 68 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.49 2.61 -2.24 -1.26 -4.93 114.28 105.97 3d5g n THR 69 Ca 0.00 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3d5g n THR 69 Cb 0.00 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.12 4.57 0.02 -0.78 0.52 -1.26 0.34 118.95 121.24 3d5g s ARG 70 Ca 0.00 1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 56.84 3d5g s ARG 70 Cb 0.00 -3.28 0.01 0.00 0.52 0.00 0.00 34.95 32.20 3d5g s ARG 70 CO 0.00 0.03 0.24 1.03 0.02 0.00 0.00 175.30 176.62 3d5g s ARG 71 N -0.25 0.69 -0.04 3.54 1.81 0.36 -1.86 118.95 123.19 3d5g s ARG 71 Ca 0.50 -0.46 0.06 0.00 -1.72 0.00 0.00 55.73 54.11 3d5g s ARG 71 Cb -0.30 0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 34.49 3d5g s ARG 71 CO 0.35 -0.20 -0.22 0.08 -0.68 0.00 0.00 175.30 174.63 3d5g s VAL 72 N -2.10 1.82 -0.08 3.52 1.01 -0.35 -0.89 120.40 123.33 3d5g s VAL 72 Ca -0.08 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3d5g s VAL 72 Cb -0.03 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3d5g s VAL 72 CO -0.01 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 3d5g s VAL 73 N -0.19 2.58 0.19 2.92 1.01 -0.59 -0.53 120.40 125.79 3d5g s VAL 73 Ca -0.01 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3d5g s VAL 73 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3d5g s VAL 73 CO 0.02 0.56 0.07 0.42 0.00 0.00 0.00 175.10 176.18 3d5g s THR 74 N -0.12 4.06 0.41 3.92 -4.23 0.25 -0.30 115.64 119.64 3d5g s THR 74 Ca -0.03 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.21 3d5g s THR 74 Cb -0.14 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.56 3d5g s THR 74 CO 0.04 -0.16 0.18 -0.83 -0.54 0.00 0.00 174.62 173.30 3d5g s GLY 75 N -3.18 2.32 0.53 3.99 0.00 -0.14 -1.90 107.32 108.94 3d5g s GLY 75 Ca 0.30 -2.10 0.35 0.00 0.00 0.00 0.00 44.72 43.26 3d5g s GLY 75 CO 0.21 -1.91 2.04 -1.33 0.00 0.00 0.00 173.10 172.12 3d5g h GLY 76 N 1.43 0.00 -1.80 0.20 0.00 -1.83 -1.70 103.07 99.37 3d5g h GLY 76 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3d5g h GLY 76 CO 0.70 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.52 3d5g n TYR 77 N -2.93 0.98 -0.44 5.60 4.01 -1.26 -4.97 117.16 118.14 3d5g n TYR 77 Ca -0.00 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 56.97 3d5g n TYR 77 Cb 0.21 -0.27 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 -0.09 0.78 3.73 2.72 0.00 -0.64 -5.07 105.19 106.62 3d5g n GLY 78 Ca 0.20 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 1.22 -4.12 1.61 4.71 -1.25 -4.81 120.64 115.57 3d5g n GLU 79 Ca 0.00 0.47 -0.17 0.00 -0.01 0.00 0.00 57.16 57.45 3d5g n GLU 79 Cb 0.00 -2.53 -0.15 0.00 -1.01 0.00 0.00 31.44 27.75 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 -3.25 0.51 0.05 3.49 -0.21 -1.26 -0.97 119.66 118.02 3d5g s GLN 80 Ca 0.80 -0.11 0.06 0.00 0.02 0.00 0.00 55.36 56.13 3d5g s GLN 80 Cb -0.39 -0.54 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 3d5g s GLN 80 CO 0.42 0.01 -0.18 0.71 -2.12 0.00 0.00 175.29 174.13 3d5g s TYR 81 N 0.39 1.58 -0.08 0.91 1.51 0.59 -0.52 117.35 121.74 3d5g s TYR 81 Ca -0.04 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 3d5g s TYR 81 Cb -0.08 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.81 3d5g s TYR 81 CO -0.00 0.08 -0.15 -0.46 -1.11 0.00 0.00 175.55 173.91 3d5g s TRP 82 N -0.84 2.72 -0.15 2.71 -0.00 0.07 -1.54 118.94 121.90 3d5g s TRP 82 Ca 0.05 -0.40 -0.02 0.00 -0.00 0.00 0.00 56.10 55.73 3d5g s TRP 82 Cb -0.08 -1.71 0.05 0.00 -0.00 0.00 0.00 33.47 31.72 3d5g s TRP 82 CO 0.02 -0.00 0.02 0.45 -0.00 0.00 0.00 176.95 177.43 3d5g s SER 83 N -0.27 2.41 0.03 5.86 0.15 -0.07 -1.22 113.70 120.59 3d5g s SER 83 Ca 0.01 -0.54 0.28 0.00 0.70 0.00 0.00 55.95 56.41 3d5g s SER 83 Cb -0.13 -0.56 1.12 0.00 -1.71 0.00 0.00 66.02 64.74 3d5g s SER 83 CO 0.03 -0.26 1.86 -0.81 1.20 0.00 0.00 173.24 175.26 3d5g n PRO 84 N 5.08 0.03 -2.62 5.44 -0.04 -1.26 -0.49 135.00 141.14 3d5g n PRO 84 Ca -0.08 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 3d5g n PRO 84 Cb 0.48 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.59 2.37 -3.63 3.54 5.68 -1.24 -4.07 116.55 117.61 3d5g n ASP 85 Ca 0.07 -2.78 -0.22 0.00 -0.50 0.00 0.00 54.79 51.35 3d5g n ASP 85 Cb 0.35 -0.48 0.06 0.00 -1.14 0.00 0.00 41.12 39.91 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 -0.35 -2.30 -0.99 2.11 -0.00 0.15 -2.10 115.22 111.74 3d5g n HIS 86 Ca 0.17 0.93 0.00 0.00 -0.00 0.00 0.00 57.72 58.82 3d5g n HIS 86 Cb 0.80 -4.69 0.00 0.00 -0.00 0.00 0.00 29.99 26.10 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 -4.48 0.00 -0.12 1.57 4.01 -1.26 -4.90 117.16 111.97 3d5g n TYR 87 Ca -0.16 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.47 3d5g n TYR 87 Cb 0.62 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.49 -2.95 -0.72 0.00 -1.82 -3.45 119.26 110.80 3d5g h ALA 88 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 54.91 54.28 3d5g h ALA 88 Cb 0.15 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 17.62 3d5g h ALA 88 CO 0.00 0.29 -0.75 0.95 0.00 0.00 0.00 179.25 179.74 3d5g s THR 89 N -4.90 1.03 0.03 0.00 -4.23 -1.26 -5.09 115.64 101.22 3d5g s THR 89 Ca -0.13 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3d5g s THR 89 Cb 0.09 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 3d5g s THR 89 CO 0.79 -0.44 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.94 3d5g s PHE 90 N -2.03 1.15 -0.08 3.99 0.40 -1.26 -4.32 117.98 115.83 3d5g s PHE 90 Ca 0.03 -0.32 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 3d5g s PHE 90 Cb -0.05 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.79 3d5g s PHE 90 CO 0.01 0.02 -0.17 -0.65 0.70 0.00 0.00 175.22 175.13 3d5g s GLN 91 N -0.95 2.25 0.07 0.44 -0.21 -0.36 -4.36 119.66 116.55 3d5g s GLN 91 Ca 0.02 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.49 3d5g s GLN 91 Cb -0.07 -1.78 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 3d5g s GLN 91 CO 0.01 0.08 1.08 -2.00 -2.12 0.00 0.00 175.29 172.34 3d5g s GLU 92 N 0.56 4.53 -0.20 2.91 2.12 0.28 -0.75 118.70 128.16 3d5g s GLU 92 Ca -0.16 1.62 -0.24 0.00 0.36 0.00 0.00 54.97 56.55 3d5g s GLU 92 Cb -0.17 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 3d5g s GLU 92 CO 0.05 -0.07 0.80 0.42 -0.54 0.00 0.00 175.26 175.92 3d5g s ILE 93 N 0.66 4.89 -0.52 -3.70 1.01 0.32 -1.09 121.20 122.76 3d5g s ILE 93 Ca 0.53 1.54 -0.25 0.00 0.00 0.00 0.00 60.65 62.46 3d5g s ILE 93 Cb -0.26 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.14 3d5g s ILE 93 CO 0.30 0.00 0.98 -0.62 0.00 0.00 0.00 174.94 175.60 3d5g s ASP 94 N 1.24 6.43 0.00 3.58 -1.08 0.96 -4.66 116.67 123.14 3d5g s ASP 94 Ca 0.35 -0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.54 3d5g s ASP 94 Cb -0.16 -2.46 1.07 0.00 -1.46 0.00 0.00 42.92 39.91 3d5g s ASP 94 CO 0.10 -1.20 1.74 -0.81 0.52 0.00 0.00 175.17 175.52 3d5g n PRO 95 N 7.51 0.18 0.00 4.34 -0.04 -1.26 -2.18 135.00 143.55 3d5g n PRO 95 Ca 0.05 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 3d5g n PRO 95 Cb 0.48 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.38 0.11 0.00 0.54 1.74 -1.26 -4.86 116.66 111.55 3d5g n ARG 96 Ca 0.08 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3d5g n ARG 96 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3d5g n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11