#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 n LEU 2 N 0.00 0.00 -1.01 4.03 7.99 -1.26 -5.06 117.00 121.69 1du2 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1du2 n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1du2 n LEU 2 CO 0.00 -0.52 -0.30 0.29 -1.51 0.00 0.00 177.39 175.35 1du2 n LYS 3 N -0.66 -2.82 -3.42 3.23 5.02 -1.26 -4.91 118.16 113.34 1du2 n LYS 3 Ca 0.00 2.13 -0.38 0.00 -2.02 0.00 0.00 58.31 58.04 1du2 n LYS 3 Cb 0.00 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 32.47 1du2 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1du2 s ASN 4 N -3.46 6.80 -0.05 4.39 2.20 -1.26 -5.03 114.94 118.53 1du2 s ASN 4 Ca 0.00 0.95 -0.30 0.00 -0.94 0.00 0.00 52.86 52.58 1du2 s ASN 4 Cb 0.00 -2.27 0.10 0.00 -2.00 0.00 0.00 41.25 37.08 1du2 s ASN 4 CO 0.00 0.23 1.33 -1.48 -2.94 0.00 0.00 177.10 174.24 1du2 s LEU 5 N -0.60 0.00 0.00 3.54 -0.00 -1.26 -5.13 118.68 115.23 1du2 s LEU 5 Ca 0.25 -0.11 0.00 0.00 -0.00 0.00 0.00 54.13 54.27 1du2 s LEU 5 Cb -0.17 1.18 0.00 0.00 -0.00 0.00 0.00 46.19 47.20 1du2 s LEU 5 CO 0.13 -0.16 0.00 0.00 -0.00 0.00 0.00 176.35 176.32 1du2 n ALA 6 N -0.94 0.00 0.05 1.48 0.00 -1.26 -5.06 120.51 114.79 1du2 n ALA 6 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1du2 n ALA 6 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1du2 n ALA 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1du2 n LYS 7 N 0.00 0.00 -3.98 0.00 4.81 -1.26 -5.03 118.16 112.70 1du2 n LYS 7 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1du2 n LYS 7 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1du2 n LYS 7 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1du2 n LEU 8 N -2.86 -1.97 -3.25 3.14 4.77 -1.26 0.15 117.00 115.71 1du2 n LEU 8 Ca 0.00 -1.07 -0.21 0.00 -0.03 0.00 0.00 56.01 54.70 1du2 n LEU 8 Cb 0.00 -2.11 -0.01 0.00 -2.33 0.00 0.00 43.42 38.97 1du2 n LEU 8 CO 0.00 0.48 -0.06 0.47 -1.33 0.00 0.00 177.39 176.95 1du2 n ASP 9 N -2.86 -3.23 -2.19 -1.43 9.92 -1.26 -0.01 116.55 115.49 1du2 n ASP 9 Ca -0.27 -0.28 0.00 0.00 -0.53 0.00 0.00 54.79 53.71 1du2 n ASP 9 Cb 0.67 -2.72 0.00 0.00 -0.64 0.00 0.00 41.12 38.43 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1du2 n GLN 10 N -3.49 -2.62 -0.07 -1.24 0.00 0.39 -4.62 117.38 105.74 1du2 n GLN 10 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.87 1du2 n GLN 10 Cb 0.54 -4.23 -0.06 0.00 0.00 0.00 0.00 30.24 26.49 1du2 n GLN 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1du2 n THR 11 N -2.17 0.76 1.02 1.69 -1.04 0.99 -4.40 114.28 111.12 1du2 n THR 11 Ca 0.00 -0.26 0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1du2 n THR 11 Cb 0.41 -1.22 0.61 0.00 -1.82 0.00 0.00 70.33 68.30 1du2 n THR 11 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1du2 n GLU 12 N -3.14 0.08 0.07 -2.82 2.13 -0.90 -3.07 120.64 112.98 1du2 n GLU 12 Ca -0.25 0.03 -0.14 0.00 0.66 0.00 0.00 57.16 57.46 1du2 n GLU 12 Cb 0.73 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.80 1du2 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1du2 h MET 13 N 0.00 0.18 -0.14 5.31 -0.00 -1.78 -1.19 114.93 117.31 1du2 h MET 13 Ca 0.00 -0.31 -0.11 0.00 -0.00 0.00 0.00 59.70 59.27 1du2 h MET 13 Cb 0.42 0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 1du2 h MET 13 CO 0.00 1.07 -0.40 0.22 -0.00 0.00 0.00 176.91 177.80 1du2 h ASP 14 N 0.05 0.34 0.24 -0.10 1.82 -1.75 -2.73 116.42 114.29 1du2 h ASP 14 Ca -0.16 -0.14 -0.34 0.00 -0.39 0.00 0.00 57.03 56.00 1du2 h ASP 14 Cb 1.95 -0.09 0.03 0.00 0.68 0.00 0.00 39.33 41.90 1du2 h ASP 14 CO 0.16 0.71 -1.53 0.11 -1.61 0.00 0.00 179.24 177.08 1du2 h LYS 15 N 0.27 0.51 0.00 0.28 6.56 -1.62 -2.88 116.57 119.68 1du2 h LYS 15 Ca 0.03 -0.87 0.00 0.00 -1.06 0.00 0.00 60.65 58.75 1du2 h LYS 15 Cb 0.83 0.32 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1du2 h LYS 15 CO 0.07 1.42 0.12 0.28 -2.06 0.00 0.00 179.45 179.28 1du2 h VAL 16 N 0.12 0.00 0.00 0.50 2.07 -1.08 0.22 116.25 118.08 1du2 h VAL 16 Ca -0.28 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.02 1du2 h VAL 16 Cb 2.15 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1du2 h VAL 16 CO 0.25 0.00 -1.29 -3.20 0.02 0.00 0.00 177.57 173.35 1du2 n ASN 17 N -2.41 1.86 0.14 0.57 5.15 -1.04 -3.95 115.26 115.58 1du2 n ASN 17 Ca -0.02 0.44 0.10 0.00 -0.60 0.00 0.00 54.58 54.50 1du2 n ASN 17 Cb 0.16 -0.94 0.50 0.00 -0.53 0.00 0.00 39.78 38.97 1du2 n ASN 17 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1du2 n VAL 18 N -4.44 1.11 -0.62 3.44 0.31 -0.42 -2.60 118.33 115.11 1du2 n VAL 18 Ca -0.31 0.62 0.48 0.00 -0.01 0.00 0.00 64.34 65.11 1du2 n VAL 18 Cb 0.65 -1.60 0.74 0.00 -0.91 0.00 0.00 33.84 32.72 1du2 n VAL 18 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1du2 n ASP 19 N -2.15 0.03 -0.08 4.52 2.03 0.64 0.24 116.55 121.78 1du2 n ASP 19 Ca -0.01 0.98 -0.22 0.00 0.52 0.00 0.00 54.79 56.07 1du2 n ASP 19 Cb 0.06 -0.49 -0.12 0.00 -0.72 0.00 0.00 41.12 39.85 1du2 n ASP 19 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1du2 n LEU 20 N -3.91 2.14 0.13 -2.67 0.00 -1.07 -3.90 117.00 107.71 1du2 n LEU 20 Ca 0.41 0.33 0.09 0.00 0.00 0.00 0.00 56.01 56.84 1du2 n LEU 20 Cb 1.81 -1.00 0.47 0.00 0.00 0.00 0.00 43.42 44.70 1du2 n LEU 20 CO 0.37 0.50 0.78 0.00 0.00 0.00 0.00 177.39 179.04 1du2 n ALA 21 N -3.36 1.14 -1.27 1.96 0.00 0.46 -4.77 120.51 114.67 1du2 n ALA 21 Ca -0.35 0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1du2 n ALA 21 Cb 0.82 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1du2 n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 22 N -1.72 -2.77 -1.82 0.00 0.00 0.65 -4.96 120.51 109.88 1du2 n ALA 22 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1du2 n ALA 22 Cb 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1du2 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du2 n ALA 23 N -0.24 0.00 -1.00 0.00 0.00 -1.26 -5.06 120.51 112.95 1du2 n ALA 23 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1du2 n ALA 23 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1du2 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1du2 n GLY 24 N 5.00 -0.54 0.01 0.00 0.00 -1.26 -4.90 105.19 103.49 1du2 n GLY 24 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1du2 n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1du2 n VAL 25 N -0.76 0.05 -0.32 1.61 0.31 -1.26 -4.27 118.33 113.69 1du2 n VAL 25 Ca 0.00 -0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 64.04 1du2 n VAL 25 Cb 0.00 0.18 -0.02 0.00 -0.91 0.00 0.00 33.84 33.09 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 n ALA 26 N -1.89 -0.30 -2.48 3.52 0.00 -1.26 -1.18 120.51 116.92 1du2 n ALA 26 Ca -0.03 0.74 -0.23 0.00 0.00 0.00 0.00 53.44 53.92 1du2 n ALA 26 Cb 0.31 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.53 1du2 n ALA 26 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1du2 n PHE 27 N -5.09 2.89 -2.82 0.00 3.72 -1.26 -3.84 117.46 111.05 1du2 n PHE 27 Ca 0.05 -2.95 -0.00 0.00 -0.05 0.00 0.00 57.45 54.50 1du2 n PHE 27 Cb 0.26 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.70 1du2 n PHE 27 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1du2 n LYS 28 N -0.43 1.69 -0.02 -1.08 3.00 -0.32 -4.80 118.16 116.20 1du2 n LYS 28 Ca 0.33 -3.30 0.13 0.00 -0.00 0.00 0.00 58.31 55.47 1du2 n LYS 28 Cb 0.72 -1.42 0.59 0.00 0.00 0.00 0.00 35.03 34.92 1du2 n LYS 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1du2 n GLU 29 N -0.67 1.42 0.00 1.64 0.28 -1.25 -4.55 120.64 117.51 1du2 n GLU 29 Ca 0.05 -0.62 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 1du2 n GLU 29 Cb 0.81 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 32.24 1du2 n GLU 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1du2 n ARG 30 N -0.22 0.00 0.32 3.44 1.74 -1.26 0.19 116.66 120.88 1du2 n ARG 30 Ca 0.19 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.53 1du2 n ARG 30 Cb 0.25 -0.57 0.38 0.00 -1.02 0.00 0.00 32.46 31.50 1du2 n ARG 30 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1du2 h TYR 31 N 0.00 0.00 -4.97 -1.55 -0.00 -1.95 -3.44 116.97 105.06 1du2 h TYR 31 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.57 1du2 h TYR 31 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 36.73 36.86 1du2 h TYR 31 CO 0.00 0.00 -0.56 -1.71 -0.00 0.00 0.00 178.16 175.89 1du2 n ASN 32 N -2.70 -5.96 -4.68 0.10 5.15 0.50 -5.02 115.26 102.65 1du2 n ASN 32 Ca -0.01 -0.48 -0.27 0.00 -0.60 0.00 0.00 54.58 53.23 1du2 n ASN 32 Cb 0.72 -4.36 0.11 0.00 -0.53 0.00 0.00 39.78 35.72 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1du2 s MET 33 N -3.91 1.69 0.90 1.20 -1.94 -1.26 -5.09 119.30 110.89 1du2 s MET 33 Ca 0.30 -0.36 -0.15 0.00 -1.71 0.00 0.00 55.69 53.77 1du2 s MET 33 Cb -0.04 -2.07 0.22 0.00 2.01 0.00 0.00 34.83 34.94 1du2 s MET 33 CO 0.60 -1.63 0.99 -0.35 -0.01 0.00 0.00 175.02 174.63 1du2 n PRO 34 N -3.19 -1.90 -0.43 2.03 -0.04 -1.26 -4.80 135.00 125.41 1du2 n PRO 34 Ca 0.11 -1.56 -0.13 0.00 -0.04 0.00 0.00 63.50 61.88 1du2 n PRO 34 Cb 0.60 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.82 1du2 n PRO 34 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1du2 n VAL 35 N -3.96 1.43 -4.11 0.52 0.31 -1.26 -4.72 118.33 106.53 1du2 n VAL 35 Ca 0.13 -0.85 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 1du2 n VAL 35 Cb 0.48 -1.86 -0.11 0.00 -0.91 0.00 0.00 33.84 31.43 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1du2 s ILE 36 N 3.96 0.63 -0.17 2.52 1.01 -1.26 -5.05 121.20 122.84 1du2 s ILE 36 Ca 0.23 -1.45 0.05 0.00 0.00 0.00 0.00 60.65 59.48 1du2 s ILE 36 Cb 0.06 -1.08 -0.14 0.00 0.01 0.00 0.00 42.46 41.32 1du2 s ILE 36 CO -0.02 -0.58 -0.09 0.00 0.00 0.00 0.00 174.94 174.25 1du2 n ALA 37 N 0.82 1.63 0.23 9.38 0.00 -1.26 -4.18 120.51 127.12 1du2 n ALA 37 Ca -0.18 -0.82 0.15 0.00 0.00 0.00 0.00 53.44 52.59 1du2 n ALA 37 Cb 0.57 0.04 0.80 0.00 0.00 0.00 0.00 19.45 20.86 1du2 n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1du2 h GLU 38 N 0.00 0.00 -0.02 0.00 4.57 -1.97 0.81 114.58 117.97 1du2 h GLU 38 Ca -0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1du2 h GLU 38 Cb 1.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 1du2 h GLU 38 CO -0.03 0.00 -0.45 0.00 -1.18 0.00 0.00 179.01 177.34 1du2 n ALA 39 N -1.87 3.50 0.07 2.92 0.00 -1.26 -3.32 120.51 120.54 1du2 n ALA 39 Ca -0.02 -0.64 -0.19 0.00 0.00 0.00 0.00 53.44 52.59 1du2 n ALA 39 Cb 0.06 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 1du2 n ALA 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1du2 h VAL 40 N 2.46 1.08 0.14 0.00 2.07 0.47 -2.90 116.25 119.57 1du2 h VAL 40 Ca 0.00 -2.70 -0.32 0.00 0.82 0.00 0.00 66.70 64.50 1du2 h VAL 40 Cb 0.75 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1du2 h VAL 40 CO 0.00 0.83 -1.59 -0.33 0.02 0.00 0.00 177.57 176.50 1du2 h GLU 41 N 0.08 0.30 -0.26 1.57 5.08 -1.64 -2.96 114.58 116.75 1du2 h GLU 41 Ca -0.28 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 57.51 1du2 h GLU 41 Cb 2.05 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.48 1du2 h GLU 41 CO 0.17 1.18 -0.11 0.07 -1.00 0.00 0.00 179.01 179.32 1du2 h ARG 42 N 0.08 0.42 0.00 2.33 -0.00 -1.70 -3.34 114.38 112.18 1du2 h ARG 42 Ca -0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 59.98 59.60 1du2 h ARG 42 Cb 2.05 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.96 1du2 h ARG 42 CO 0.17 0.54 0.00 0.39 -0.00 0.00 0.00 179.97 181.07 1du2 n GLU 43 N -4.23 0.00 -3.16 0.08 -0.58 -1.09 -4.95 120.64 106.70 1du2 n GLU 43 Ca 0.00 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.83 1du2 n GLU 43 Cb 0.30 -0.68 -0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1du2 n GLU 43 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1du2 s GLN 44 N -0.39 0.58 0.11 3.49 0.74 -1.12 -5.09 119.66 117.98 1du2 s GLN 44 Ca 0.00 0.36 -0.30 0.00 0.05 0.00 0.00 55.36 55.46 1du2 s GLN 44 Cb 0.00 0.21 -0.06 0.00 1.10 0.00 0.00 33.01 34.25 1du2 s GLN 44 CO 0.00 -1.02 1.14 -1.25 -0.55 0.00 0.00 175.29 173.61 1du2 s PRO 45 N 2.63 4.51 0.32 1.67 0.04 -1.21 -4.85 135.00 138.11 1du2 s PRO 45 Ca 0.12 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1du2 s PRO 45 Cb -0.08 -3.32 0.56 0.00 0.04 0.00 0.00 34.50 31.69 1du2 s PRO 45 CO -0.22 -0.11 1.97 1.05 0.04 0.00 0.00 177.00 179.73 1du2 h GLU 46 N 6.07 0.95 0.00 4.56 9.09 -1.87 0.18 114.58 133.57 1du2 h GLU 46 Ca -0.43 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1du2 h GLU 46 Cb 1.21 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 1du2 h GLU 46 CO 0.77 0.63 0.00 1.12 0.05 0.00 0.00 179.01 181.58 1du2 h HIS 47 N 0.98 0.00 0.00 2.06 2.07 -1.91 0.36 115.15 118.71 1du2 h HIS 47 Ca 0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 1du2 h HIS 47 Cb -0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1du2 h HIS 47 CO -0.00 0.00 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.51 1du2 h LEU 48 N 0.00 0.00 -1.86 6.12 -0.00 -1.04 -2.33 115.31 116.19 1du2 h LEU 48 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.02 1du2 h LEU 48 Cb 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 1du2 h LEU 48 CO 0.00 0.60 0.41 0.08 -0.00 0.00 0.00 178.44 179.53 1du2 h ARG 49 N -0.92 0.14 0.10 1.13 -0.00 -1.10 0.92 114.38 114.65 1du2 h ARG 49 Ca 0.00 -0.01 -0.28 0.00 -0.00 0.00 0.00 59.98 59.69 1du2 h ARG 49 Cb 0.28 -0.03 0.02 0.00 -0.00 0.00 0.00 29.97 30.24 1du2 h ARG 49 CO 0.00 0.09 -1.19 1.03 -0.00 0.00 0.00 179.97 179.90 1du2 h SER 50 N 0.14 0.72 0.27 0.08 0.87 -0.43 1.13 113.55 116.33 1du2 h SER 50 Ca 0.28 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1du2 h SER 50 Cb 0.91 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1du2 h SER 50 CO -0.04 1.49 -0.02 0.79 -0.53 0.00 0.00 176.83 178.52 1du2 n TRP 51 N -3.73 0.00 -0.07 2.24 5.03 0.27 -0.63 117.44 120.56 1du2 n TRP 51 Ca -0.11 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.30 1du2 n TRP 51 Cb 0.97 -0.13 -0.06 0.00 -1.03 0.00 0.00 31.31 31.06 1du2 n TRP 51 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1du2 n PHE 52 N -1.02 0.00 1.42 -5.99 3.72 0.30 -4.56 117.46 111.32 1du2 n PHE 52 Ca 0.18 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 1du2 n PHE 52 Cb 0.20 -0.50 0.47 0.00 -0.94 0.00 0.00 39.48 38.72 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1du2 n ARG 53 N -3.22 1.73 -0.48 -1.08 3.00 0.39 -4.31 116.66 112.68 1du2 n ARG 53 Ca -0.25 -1.07 0.39 0.00 -0.00 0.00 0.00 57.85 56.91 1du2 n ARG 53 Cb 0.72 -1.47 0.62 0.00 0.00 0.00 0.00 32.46 32.33 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1du2 n GLU 54 N 0.30 -0.02 0.02 -0.14 0.00 0.20 0.16 120.64 121.16 1du2 n GLU 54 Ca 0.18 0.98 -0.10 0.00 0.00 0.00 0.00 57.16 58.22 1du2 n GLU 54 Cb 0.38 -2.07 -0.04 0.00 0.00 0.00 0.00 31.44 29.71 1du2 n GLU 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1du2 h ARG 55 N 0.00 -0.34 -2.24 3.44 3.08 -1.85 -3.14 114.38 113.33 1du2 h ARG 55 Ca 0.76 0.02 -0.60 0.00 0.07 0.00 0.00 59.98 60.23 1du2 h ARG 55 Cb 2.72 0.08 -0.42 0.00 0.08 0.00 0.00 29.97 32.43 1du2 h ARG 55 CO -0.22 -0.23 -0.59 1.28 -1.07 0.00 0.00 179.97 179.14 1du2 n LEU 56 N -5.38 4.13 -0.33 3.04 4.77 0.41 -4.86 117.00 118.78 1du2 n LEU 56 Ca -0.04 -5.55 0.01 0.00 -0.03 0.00 0.00 56.01 50.40 1du2 n LEU 56 Cb 0.29 -0.63 0.18 0.00 -2.33 0.00 0.00 43.42 40.93 1du2 n LEU 56 CO 0.19 2.19 1.27 -0.29 -1.33 0.00 0.00 177.39 179.42 1du2 h ILE 57 N 3.08 1.16 -2.06 -0.08 6.09 -1.43 -3.48 117.51 120.79 1du2 h ILE 57 Ca 0.17 -0.41 0.10 0.00 -1.37 0.00 0.00 64.86 63.36 1du2 h ILE 57 Cb 0.59 -0.12 -0.03 0.00 0.47 0.00 0.00 36.82 37.73 1du2 h ILE 57 CO 0.84 0.22 -0.14 0.00 -3.07 0.00 0.00 178.15 176.00 1du2 n ALA 58 N -2.39 -1.05 -1.57 0.18 0.00 -1.26 -4.42 120.51 110.00 1du2 n ALA 58 Ca 0.13 0.12 -0.45 0.00 0.00 0.00 0.00 53.44 53.23 1du2 n ALA 58 Cb 0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 1du2 n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1du2 n HIS 59 N -2.35 1.94 -3.60 0.00 8.25 -1.26 -4.93 115.22 113.26 1du2 n HIS 59 Ca 0.00 -0.05 -0.38 0.00 -0.26 0.00 0.00 57.72 57.03 1du2 n HIS 59 Cb 0.17 -2.69 -0.06 0.00 1.12 0.00 0.00 29.99 28.53 1du2 n HIS 59 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1du2 s ARG 60 N 6.11 3.84 0.32 -0.41 1.70 -1.26 -5.09 118.95 124.15 1du2 s ARG 60 Ca 1.02 0.24 0.03 0.00 -0.47 0.00 0.00 55.73 56.55 1du2 s ARG 60 Cb -0.47 -3.24 -0.04 0.00 -0.57 0.00 0.00 34.95 30.63 1du2 s ARG 60 CO 0.39 0.65 0.15 -1.17 -1.08 0.00 0.00 175.30 174.25 1du2 s LEU 61 N -0.86 1.74 -0.30 -1.89 0.20 -1.26 -5.14 118.68 111.17 1du2 s LEU 61 Ca 0.21 -1.56 -0.18 0.00 0.69 0.00 0.00 54.13 53.29 1du2 s LEU 61 Cb -0.15 0.13 0.18 0.00 -0.43 0.00 0.00 46.19 45.92 1du2 s LEU 61 CO 0.10 -0.88 1.22 0.00 -0.29 0.00 0.00 176.35 176.50 1du2 s ALA 62 N -3.54 -4.42 -0.43 5.97 0.00 -1.26 -5.10 121.76 112.99 1du2 s ALA 62 Ca 0.34 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.75 1du2 s ALA 62 Cb 0.05 -2.85 0.22 0.00 0.00 0.00 0.00 23.12 20.55 1du2 s ALA 62 CO 0.17 -1.97 0.49 0.45 0.00 0.00 0.00 175.76 174.90 1du2 n SER 63 N 5.16 0.44 0.00 0.00 2.88 -1.26 -5.00 113.62 115.84 1du2 n SER 63 Ca 0.04 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1du2 n SER 63 Cb 0.58 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1du2 n VAL 64 N 1.77 0.00 0.00 2.46 0.31 -1.26 -5.05 118.33 116.56 1du2 n VAL 64 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1du2 n VAL 64 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1du2 n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1du2 n ASN 65 N 0.00 0.00 0.00 4.52 3.02 -1.25 -4.88 115.26 116.67 1du2 n ASN 65 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1du2 n ASN 65 Cb 0.00 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1du2 n ASN 65 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1du2 n LEU 66 N -1.36 0.00 0.00 3.41 7.94 -1.26 -4.94 117.00 120.79 1du2 n LEU 66 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1du2 n LEU 66 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 1du2 n LEU 66 CO 0.00 0.00 -0.16 -1.20 -1.11 0.00 0.00 177.39 174.92 1du2 n SER 67 N 2.49 -6.53 -4.54 1.96 7.64 -1.26 -4.85 113.62 108.52 1du2 n SER 67 Ca 0.00 0.92 -0.32 0.00 1.01 0.00 0.00 58.87 60.48 1du2 n SER 67 Cb 0.00 -2.59 -0.11 0.00 -1.01 0.00 0.00 64.21 60.49 1du2 n SER 67 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1du2 s ARG 68 N -1.43 2.47 0.20 1.43 6.06 -1.26 -5.09 118.95 121.32 1du2 s ARG 68 Ca 0.00 -0.75 -0.31 0.00 -2.50 0.00 0.00 55.73 52.17 1du2 s ARG 68 Cb 0.00 -2.42 -0.10 0.00 0.06 0.00 0.00 34.95 32.48 1du2 s ARG 68 CO 0.00 0.60 1.55 -0.48 -2.50 0.00 0.00 175.30 174.47 1du2 s LEU 69 N -1.23 4.37 0.00 -0.88 2.34 -1.26 -5.00 118.68 117.01 1du2 s LEU 69 Ca 0.15 2.68 0.00 0.00 0.06 0.00 0.00 54.13 57.02 1du2 s LEU 69 Cb -0.11 -3.60 0.00 0.00 -0.56 0.00 0.00 46.19 41.92 1du2 s LEU 69 CO 0.05 -0.82 0.00 -0.81 -1.06 0.00 0.00 176.35 173.71 1du2 n PRO 70 N 3.45 0.15 -0.06 1.48 -0.04 -1.26 -5.06 135.00 133.66 1du2 n PRO 70 Ca 0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1du2 n PRO 70 Cb 0.39 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.82 1du2 n PRO 70 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1du2 n TYR 71 N -1.38 0.00 -2.83 0.54 4.19 -1.26 -5.08 117.16 111.33 1du2 n TYR 71 Ca 0.00 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.16 1du2 n TYR 71 Cb 0.00 -0.39 0.01 0.00 0.49 0.00 0.00 39.34 39.45 1du2 n TYR 71 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1du2 n GLU 72 N -4.20 -1.97 -1.49 2.98 4.07 -1.26 -5.02 120.64 113.75 1du2 n GLU 72 Ca -0.12 1.87 -0.30 0.00 -0.06 0.00 0.00 57.16 58.55 1du2 n GLU 72 Cb 0.40 -5.48 0.23 0.00 -0.06 0.00 0.00 31.44 26.54 1du2 n GLU 72 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1du2 n PRO 73 N -0.71 -2.23 0.00 5.31 -0.04 -1.26 -5.10 135.00 130.97 1du2 n PRO 73 Ca 0.08 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 1du2 n PRO 73 Cb 0.45 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1du2 n PRO 73 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1du2 n LYS 74 N -4.36 0.00 -3.15 0.54 4.81 -1.26 -5.15 118.16 109.59 1du2 n LYS 74 Ca 0.16 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.66 1du2 n LYS 74 Cb 0.59 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.63 1du2 n LYS 74 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1du2 s LEU 75 N 0.00 -0.03 0.00 3.14 1.98 -1.26 -5.34 118.68 117.17 1du2 s LEU 75 Ca 0.00 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.25 1du2 s LEU 75 Cb 0.00 1.02 0.00 0.00 0.66 0.00 0.00 46.19 47.87 1du2 s LEU 75 CO 0.00 -0.01 0.00 1.17 -1.89 0.00 0.00 176.35 175.62