#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 3.33 0.00 4.03 7.94 -1.26 -5.03 117.00 126.02 1du2 n LEU 2 Ca 0.00 0.50 -0.10 0.00 -1.11 0.00 0.00 56.01 55.31 1du2 n LEU 2 Cb 0.00 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 42.48 1du2 n LEU 2 CO 0.00 -2.15 0.13 1.17 -1.11 0.00 0.00 177.39 175.43 1du2 n LYS 3 N -3.29 0.50 -3.63 1.96 3.00 -1.26 -5.18 118.16 110.25 1du2 n LYS 3 Ca 0.12 -1.88 -0.03 0.00 -0.00 0.00 0.00 58.31 56.52 1du2 n LYS 3 Cb 0.51 1.84 -0.05 0.00 0.00 0.00 0.00 35.03 37.33 1du2 n LYS 3 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1du2 s ASN 4 N -2.47 -0.10 0.00 3.14 0.01 -1.26 -5.09 114.94 109.18 1du2 s ASN 4 Ca 0.19 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.46 1du2 s ASN 4 Cb -0.01 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.76 1du2 s ASN 4 CO 0.14 -0.08 0.76 -0.11 -1.51 0.00 0.00 177.10 176.30 1du2 n LEU 5 N 0.78 0.00 0.00 0.60 7.94 -1.26 -5.02 117.00 120.04 1du2 n LEU 5 Ca -0.04 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 1du2 n LEU 5 Cb 0.58 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1du2 n LEU 5 CO 0.07 -0.26 0.00 0.00 -1.11 0.00 0.00 177.39 176.09 1du2 n ALA 6 N -1.40 0.00 0.12 1.96 0.00 -1.26 -4.93 120.51 115.00 1du2 n ALA 6 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1du2 n ALA 6 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1du2 n ALA 6 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1du2 h LYS 7 N 0.00 0.00 -6.43 0.00 -0.00 -2.07 -3.48 116.57 104.59 1du2 h LYS 7 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 60.65 60.28 1du2 h LYS 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1du2 h LYS 7 CO 0.00 0.71 -0.90 1.28 -0.00 0.00 0.00 179.45 180.54 1du2 n LEU 8 N -3.67 -3.06 0.00 7.07 4.77 -1.26 -4.89 117.00 115.96 1du2 n LEU 8 Ca -0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1du2 n LEU 8 Cb 0.70 -1.99 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1du2 n LEU 8 CO 0.43 -0.04 0.00 -0.67 -1.33 0.00 0.00 177.39 175.78 1du2 n ASP 9 N -2.06 0.00 0.06 -1.43 -0.08 -1.26 -4.99 116.55 106.79 1du2 n ASP 9 Ca -0.22 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.19 1du2 n ASP 9 Cb 0.65 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.57 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1du2 n GLN 10 N 0.00 0.17 -0.09 -0.67 7.27 -1.26 -3.58 117.38 119.22 1du2 n GLN 10 Ca 0.00 0.13 -0.10 0.00 0.07 0.00 0.00 57.00 57.10 1du2 n GLN 10 Cb 0.00 -1.69 -0.03 0.00 2.41 0.00 0.00 30.24 30.93 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1du2 h THR 11 N 0.00 1.17 0.00 1.69 2.02 -1.98 -1.53 112.91 114.28 1du2 h THR 11 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1du2 h THR 11 Cb 0.65 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1du2 h THR 11 CO 0.00 0.18 0.00 -0.08 0.37 0.00 0.00 175.52 175.99 1du2 h GLU 12 N 0.32 0.00 -0.17 6.66 4.81 -1.95 -0.90 114.58 123.36 1du2 h GLU 12 Ca 0.10 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1du2 h GLU 12 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1du2 h GLU 12 CO -0.01 0.00 -0.48 1.98 -0.73 0.00 0.00 179.01 179.77 1du2 h MET 13 N 0.00 0.43 0.00 1.92 4.05 -1.43 0.37 114.93 120.27 1du2 h MET 13 Ca 0.00 -0.25 -0.14 0.00 -0.28 0.00 0.00 59.70 59.03 1du2 h MET 13 Cb 0.09 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1du2 h MET 13 CO 0.00 0.82 -0.67 0.22 0.23 0.00 0.00 176.91 177.51 1du2 h ASP 14 N 0.35 0.00 0.01 1.39 3.58 -1.11 -2.99 116.42 117.65 1du2 h ASP 14 Ca 0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1du2 h ASP 14 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1du2 h ASP 14 CO 0.09 0.67 -0.00 0.11 -2.88 0.00 0.00 179.24 177.23 1du2 h LYS 15 N 0.00 -0.01 -0.32 0.28 6.56 -1.34 -2.95 116.57 118.79 1du2 h LYS 15 Ca -0.01 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.68 1du2 h LYS 15 Cb 1.24 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.89 1du2 h LYS 15 CO 0.09 0.78 0.61 0.28 -2.06 0.00 0.00 179.45 179.15 1du2 h VAL 16 N -0.97 0.14 0.07 0.50 2.07 -0.33 0.56 116.25 118.30 1du2 h VAL 16 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1du2 h VAL 16 Cb 0.80 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1du2 h VAL 16 CO 0.00 0.00 -0.03 -1.13 0.02 0.00 0.00 177.57 176.43 1du2 h ASN 17 N 0.00 -0.08 0.00 0.57 -1.24 -1.52 -3.26 115.58 110.05 1du2 h ASN 17 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1du2 h ASN 17 Cb 1.38 0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.45 1du2 h ASN 17 CO -0.00 0.23 0.18 0.58 -1.29 0.00 0.00 177.43 177.13 1du2 h VAL 18 N -0.67 0.00 -0.51 2.57 2.07 -0.89 -0.57 116.25 118.25 1du2 h VAL 18 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 1du2 h VAL 18 Cb 0.07 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1du2 h VAL 18 CO 0.02 0.00 0.70 -0.78 0.02 0.00 0.00 177.57 177.52 1du2 h ASP 19 N 0.00 0.00 0.07 0.57 3.58 0.00 1.51 116.42 122.16 1du2 h ASP 19 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 1du2 h ASP 19 Cb 0.37 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.37 1du2 h ASP 19 CO 0.00 0.00 -2.21 -0.11 -2.88 0.00 0.00 179.24 174.04 1du2 n LEU 20 N -3.36 0.11 -0.09 2.28 0.00 -0.22 -4.53 117.00 111.18 1du2 n LEU 20 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 56.01 56.14 1du2 n LEU 20 Cb 0.88 0.35 -0.02 0.00 0.00 0.00 0.00 43.42 44.63 1du2 n LEU 20 CO 0.22 0.37 0.50 0.00 0.00 0.00 0.00 177.39 178.48 1du2 h ALA 21 N 1.23 -0.12 -3.67 1.96 0.00 0.21 -3.45 119.26 115.42 1du2 h ALA 21 Ca -0.40 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1du2 h ALA 21 Cb 1.94 1.07 -0.05 0.00 0.00 0.00 0.00 17.79 20.75 1du2 h ALA 21 CO 0.03 -0.21 -0.16 0.00 0.00 0.00 0.00 179.25 178.91 1du2 n ALA 22 N -3.05 0.05 -3.30 0.00 0.00 -1.17 -5.12 120.51 107.93 1du2 n ALA 22 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1du2 n ALA 22 Cb 0.06 0.80 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.70 0.00 -2.71 0.00 0.00 -1.26 -4.77 120.51 110.07 1du2 n ALA 23 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 1du2 n ALA 23 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 4.49 0.01 0.00 0.00 -1.26 -4.71 105.19 108.72 1du2 n GLY 24 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.23 0.10 0.20 1.61 0.31 -1.26 -4.19 118.33 114.86 1du2 n VAL 25 Ca 0.28 -0.10 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 1du2 n VAL 25 Cb 0.64 -0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.36 1du2 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1du2 h ALA 26 N 0.24 -0.86 -2.59 3.52 0.00 -2.00 -3.38 119.26 114.18 1du2 h ALA 26 Ca -0.04 -0.11 -0.72 0.00 0.00 0.00 0.00 54.91 54.04 1du2 h ALA 26 Cb 0.62 0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.37 1du2 h ALA 26 CO 0.00 -0.82 -0.44 -0.06 0.00 0.00 0.00 179.25 177.93 1du2 s PHE 27 N -3.65 3.26 0.00 0.00 0.08 -1.26 -4.22 117.98 112.18 1du2 s PHE 27 Ca -0.08 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.06 1du2 s PHE 27 Cb 0.01 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 1du2 s PHE 27 CO 0.23 -0.69 0.00 1.17 -0.10 0.00 0.00 175.22 175.83 1du2 n LYS 28 N 5.09 0.00 0.21 0.44 3.00 -1.26 -4.61 118.16 121.02 1du2 n LYS 28 Ca -0.11 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1du2 n LYS 28 Cb 0.45 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.79 1du2 n LYS 28 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1du2 h GLU 29 N 0.00 0.00 -0.76 1.64 -0.00 -1.74 -0.97 114.58 112.75 1du2 h GLU 29 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 59.36 59.58 1du2 h GLU 29 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 1du2 h GLU 29 CO 0.00 0.00 0.97 -0.09 -0.00 0.00 0.00 179.01 179.89 1du2 h ARG 30 N 0.00 0.00 -0.84 1.06 2.43 -1.93 2.90 114.38 118.01 1du2 h ARG 30 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1du2 h ARG 30 Cb 0.98 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1du2 h ARG 30 CO 0.00 0.00 0.01 2.48 -1.51 0.00 0.00 179.97 180.95 1du2 n TYR 31 N -3.30 0.86 -2.68 2.20 0.18 -0.37 -4.87 117.16 109.19 1du2 n TYR 31 Ca 0.16 -0.32 -0.06 0.00 1.88 0.00 0.00 57.90 59.56 1du2 n TYR 31 Cb 1.21 -0.28 0.03 0.00 -0.38 0.00 0.00 39.34 39.92 1du2 n TYR 31 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1du2 n ASN 32 N 0.23 -5.66 -4.72 9.48 5.15 0.96 -4.96 115.26 115.75 1du2 n ASN 32 Ca 0.12 -0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 53.38 1du2 n ASN 32 Cb 0.65 -3.93 -0.03 0.00 -0.53 0.00 0.00 39.78 35.93 1du2 n ASN 32 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1du2 s MET 33 N -3.54 4.57 1.05 1.20 -2.45 -0.77 -5.04 119.30 114.32 1du2 s MET 33 Ca 0.18 1.55 -0.17 0.00 -1.25 0.00 0.00 55.69 56.01 1du2 s MET 33 Cb -0.02 -3.38 0.22 0.00 1.25 0.00 0.00 34.83 32.89 1du2 s MET 33 CO 0.53 -0.01 1.20 -1.25 1.05 0.00 0.00 175.02 176.54 1du2 s PRO 34 N 0.55 -0.01 0.00 4.11 0.04 -1.26 -4.84 135.00 133.58 1du2 s PRO 34 Ca 0.52 -0.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.39 1du2 s PRO 34 Cb -0.25 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1du2 s PRO 34 CO 0.30 -2.89 2.23 0.28 0.04 0.00 0.00 177.00 176.95 1du2 n VAL 35 N -4.17 1.75 -3.98 -0.36 0.31 -1.26 -4.69 118.33 105.93 1du2 n VAL 35 Ca 0.13 -0.82 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 1du2 n VAL 35 Cb 0.59 -1.73 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.60 0.07 -0.16 2.52 1.01 -1.26 -5.06 121.20 119.91 1du2 s ILE 36 Ca 0.34 -1.44 0.08 0.00 0.00 0.00 0.00 60.65 59.64 1du2 s ILE 36 Cb 0.16 -1.86 -0.15 0.00 0.01 0.00 0.00 42.46 40.62 1du2 s ILE 36 CO 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 174.94 174.58 1du2 n ALA 37 N -0.20 1.62 0.29 9.38 0.00 -1.26 -4.34 120.51 126.00 1du2 n ALA 37 Ca -0.07 -0.89 0.18 0.00 0.00 0.00 0.00 53.44 52.66 1du2 n ALA 37 Cb 0.63 -0.00 0.90 0.00 0.00 0.00 0.00 19.45 20.98 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 0.00 0.00 4.81 -1.97 1.00 114.58 118.42 1du2 h GLU 38 Ca -0.40 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.72 1du2 h GLU 38 Cb 1.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.15 1du2 h GLU 38 CO -0.02 0.00 -0.56 0.00 -0.73 0.00 0.00 179.01 177.70 1du2 h ALA 39 N 2.03 0.66 -0.30 2.92 0.00 -1.94 0.26 119.26 122.89 1du2 h ALA 39 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1du2 h ALA 39 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1du2 h ALA 39 CO 0.00 0.65 -0.53 0.28 0.00 0.00 0.00 179.25 179.65 1du2 h VAL 40 N 0.00 1.27 0.13 0.00 2.07 -1.01 -0.51 116.25 118.21 1du2 h VAL 40 Ca -0.01 -1.71 -0.32 0.00 0.82 0.00 0.00 66.70 65.47 1du2 h VAL 40 Cb 1.40 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1du2 h VAL 40 CO 0.07 0.56 -1.66 -0.33 0.02 0.00 0.00 177.57 176.23 1du2 h GLU 41 N 0.69 0.28 0.00 1.57 5.08 -1.54 -0.83 114.58 119.83 1du2 h GLU 41 Ca 0.02 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1du2 h GLU 41 Cb 1.14 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1du2 h GLU 41 CO 0.12 1.14 -0.18 -0.09 -1.00 0.00 0.00 179.01 179.00 1du2 h ARG 42 N 0.08 0.00 0.00 2.33 2.43 -0.51 -3.37 114.38 115.33 1du2 h ARG 42 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1du2 h ARG 42 Cb 2.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1du2 h ARG 42 CO 0.15 0.18 0.00 0.39 -1.51 0.00 0.00 179.97 179.18 1du2 n GLU 43 N -3.71 0.00 -3.27 0.20 -0.58 -0.20 -5.03 120.64 108.06 1du2 n GLU 43 Ca -0.02 0.02 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1du2 n GLU 43 Cb 0.30 -0.19 -0.05 0.00 -0.57 0.00 0.00 31.44 30.93 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 -0.25 0.45 0.08 3.49 0.74 -0.54 -5.06 119.66 118.56 1du2 s GLN 44 Ca 0.00 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.45 1du2 s GLN 44 Cb 0.00 -0.15 -0.06 0.00 1.10 0.00 0.00 33.01 33.91 1du2 s GLN 44 CO 0.00 -0.95 1.16 -1.25 -0.55 0.00 0.00 175.29 173.69 1du2 s PRO 45 N 2.63 4.48 0.08 1.67 0.04 -0.43 -4.69 135.00 138.77 1du2 s PRO 45 Ca 0.11 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 1du2 s PRO 45 Cb -0.12 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 30.90 1du2 s PRO 45 CO -0.27 -0.17 1.64 1.49 0.04 0.00 0.00 177.00 179.73 1du2 h GLU 46 N 6.46 -0.68 -0.90 4.56 4.22 -1.82 -2.51 114.58 123.91 1du2 h GLU 46 Ca -0.42 0.05 0.24 0.00 0.08 0.00 0.00 59.36 59.30 1du2 h GLU 46 Cb 1.21 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 30.46 1du2 h GLU 46 CO 0.79 -0.46 0.08 1.12 -2.18 0.00 0.00 179.01 178.36 1du2 h HIS 47 N -0.71 0.06 -1.06 0.92 2.07 -1.90 2.46 115.15 116.98 1du2 h HIS 47 Ca -0.06 0.06 0.31 0.00 -2.85 0.00 0.00 60.37 57.83 1du2 h HIS 47 Cb 0.57 0.12 -0.04 0.00 2.57 0.00 0.00 27.41 30.63 1du2 h HIS 47 CO -0.07 -0.33 0.86 -0.07 -3.07 0.00 0.00 177.93 175.25 1du2 h LEU 48 N 0.08 0.00 -0.91 6.12 -0.00 -1.83 1.48 115.31 120.25 1du2 h LEU 48 Ca 0.54 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.48 1du2 h LEU 48 Cb 1.08 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.68 1du2 h LEU 48 CO -0.79 0.00 0.57 0.08 -0.00 0.00 0.00 178.44 178.31 1du2 h ARG 49 N 0.00 1.02 0.00 1.13 0.11 0.42 1.15 114.38 118.21 1du2 h ARG 49 Ca 0.50 -0.06 -0.31 0.00 0.10 0.00 0.00 59.98 60.21 1du2 h ARG 49 Cb 2.23 -0.23 -0.06 0.00 1.11 0.00 0.00 29.97 33.02 1du2 h ARG 49 CO -0.01 0.67 -2.28 -1.13 0.10 0.00 0.00 179.97 177.32 1du2 n SER 50 N -4.58 0.21 0.16 0.08 3.41 0.31 -2.20 113.62 111.02 1du2 n SER 50 Ca 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.75 1du2 n SER 50 Cb 0.17 1.10 0.28 0.00 -0.26 0.00 0.00 64.21 65.50 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1du2 h TRP 51 N 0.00 0.03 0.05 7.33 -0.00 0.17 1.59 115.95 125.12 1du2 h TRP 51 Ca -0.46 -0.01 -0.37 0.00 -0.00 0.00 0.00 58.89 58.05 1du2 h TRP 51 Cb 2.04 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 31.15 1du2 h TRP 51 CO 0.00 0.49 -2.12 0.34 -0.00 0.00 0.00 178.44 177.15 1du2 n PHE 52 N -3.99 0.64 1.54 0.49 7.35 0.39 -4.18 117.46 119.71 1du2 n PHE 52 Ca -0.02 0.17 0.12 0.00 -0.76 0.00 0.00 57.45 56.97 1du2 n PHE 52 Cb 0.49 -1.08 0.54 0.00 0.35 0.00 0.00 39.48 39.78 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1du2 n ARG 53 N -3.67 1.51 -0.27 -4.13 0.63 -0.93 -4.30 116.66 105.48 1du2 n ARG 53 Ca -0.40 -0.75 0.24 0.00 -0.92 0.00 0.00 57.85 56.03 1du2 n ARG 53 Cb 0.95 -1.43 0.42 0.00 0.45 0.00 0.00 32.46 32.85 1du2 n ARG 53 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1du2 n GLU 54 N -0.07 -0.03 -0.32 -0.14 0.00 0.54 0.20 120.64 120.82 1du2 n GLU 54 Ca 0.18 0.86 0.31 0.00 0.00 0.00 0.00 57.16 58.51 1du2 n GLU 54 Cb 0.27 -1.63 0.57 0.00 0.00 0.00 0.00 31.44 30.65 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 0.03 -2.72 3.44 3.08 -1.81 -2.76 114.38 113.63 1du2 h ARG 55 Ca 0.57 -0.00 -0.60 0.00 0.07 0.00 0.00 59.98 60.02 1du2 h ARG 55 Cb 1.72 -0.01 -0.40 0.00 0.08 0.00 0.00 29.97 31.37 1du2 h ARG 55 CO -0.39 0.02 -0.81 -1.17 -1.07 0.00 0.00 179.97 176.55 1du2 s LEU 56 N -10.52 2.34 0.45 3.04 2.96 0.53 -4.95 118.68 112.53 1du2 s LEU 56 Ca -0.09 -2.92 0.18 0.00 -0.22 0.00 0.00 54.13 51.08 1du2 s LEU 56 Cb 0.34 -0.83 1.13 0.00 0.50 0.00 0.00 46.19 47.33 1du2 s LEU 56 CO 0.78 -0.21 1.91 -0.29 -1.32 0.00 0.00 176.35 177.22 1du2 h ILE 57 N 4.85 0.74 -2.29 6.68 6.09 -1.62 -3.43 117.51 128.55 1du2 h ILE 57 Ca 0.12 -0.11 -0.58 0.00 -1.37 0.00 0.00 64.86 62.92 1du2 h ILE 57 Cb 0.90 0.38 0.19 0.00 0.47 0.00 0.00 36.82 38.76 1du2 h ILE 57 CO 0.45 0.06 -1.09 0.00 -3.07 0.00 0.00 178.15 174.50 1du2 n ALA 58 N -2.55 -3.07 -2.34 0.18 0.00 -1.26 -4.23 120.51 107.25 1du2 n ALA 58 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1du2 n ALA 58 Cb 0.61 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.84 -2.87 -3.31 0.00 8.25 -1.26 -5.07 115.22 109.13 1du2 n HIS 59 Ca 0.07 1.33 -0.07 0.00 -0.26 0.00 0.00 57.72 58.79 1du2 n HIS 59 Cb 0.49 -3.26 -0.07 0.00 1.12 0.00 0.00 29.99 28.27 1du2 n HIS 59 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1du2 s ARG 60 N -1.09 0.39 -0.24 -0.41 0.52 -1.26 -5.09 118.95 111.77 1du2 s ARG 60 Ca -0.03 0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 55.40 1du2 s ARG 60 Cb 0.00 -0.31 0.16 0.00 0.52 0.00 0.00 34.95 35.32 1du2 s ARG 60 CO 0.55 -0.74 1.20 -1.17 0.02 0.00 0.00 175.30 175.17 1du2 s LEU 61 N 2.59 -0.21 0.00 2.53 0.20 -1.26 -5.10 118.68 117.43 1du2 s LEU 61 Ca 0.13 0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.23 1du2 s LEU 61 Cb -0.15 1.47 0.00 0.00 -0.43 0.00 0.00 46.19 47.08 1du2 s LEU 61 CO -0.20 -0.16 0.00 0.00 -0.29 0.00 0.00 176.35 175.70 1du2 n ALA 62 N 0.98 0.00 -2.75 5.97 0.00 -1.26 -5.12 120.51 118.33 1du2 n ALA 62 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 1du2 n ALA 62 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1du2 n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1du2 n SER 63 N -1.00 -2.56 -0.01 0.00 2.88 -1.26 -4.95 113.62 106.72 1du2 n SER 63 Ca 0.00 1.24 0.03 0.00 -1.33 0.00 0.00 58.87 58.81 1du2 n SER 63 Cb 0.00 -4.16 -0.04 0.00 -0.75 0.00 0.00 64.21 59.27 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 1.96 0.00 -0.02 2.46 0.31 -1.26 -4.73 118.33 117.05 1du2 n VAL 64 Ca -0.30 -0.34 -0.01 0.00 -0.01 0.00 0.00 64.34 63.68 1du2 n VAL 64 Cb 0.47 1.01 -0.00 0.00 -0.91 0.00 0.00 33.84 34.40 1du2 n VAL 64 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1du2 h ASN 65 N 0.06 0.00 0.00 4.52 -0.73 -1.93 -3.49 115.58 114.01 1du2 h ASN 65 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1du2 h ASN 65 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1du2 h ASN 65 CO 0.00 0.16 0.00 -0.11 -0.37 0.00 0.00 177.43 177.11 1du2 n LEU 66 N -2.77 0.00 -2.72 0.34 -0.00 -1.26 -5.12 117.00 105.46 1du2 n LEU 66 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.96 1du2 n LEU 66 Cb 0.05 0.05 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 1du2 n LEU 66 CO 0.02 -0.05 -0.44 -1.20 -0.00 0.00 0.00 177.39 175.72 1du2 n SER 67 N -1.37 -3.08 -3.57 1.96 7.64 -1.26 -5.01 113.62 108.93 1du2 n SER 67 Ca 0.00 1.25 -0.06 0.00 1.01 0.00 0.00 58.87 61.07 1du2 n SER 67 Cb 0.00 -4.01 -0.00 0.00 -1.01 0.00 0.00 64.21 59.19 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 -0.43 1.72 -0.22 1.43 3.00 -1.26 -5.05 118.95 118.14 1du2 s ARG 68 Ca -0.18 -1.01 -0.01 0.00 -1.00 0.00 0.00 55.73 53.53 1du2 s ARG 68 Cb 0.01 0.55 0.00 0.00 0.00 0.00 0.00 34.95 35.51 1du2 s ARG 68 CO 0.48 -0.80 0.22 -0.11 0.00 0.00 0.00 175.30 175.10 1du2 n LEU 69 N -0.50 -3.68 0.00 -0.88 7.94 -1.26 -5.06 117.00 113.56 1du2 n LEU 69 Ca -0.05 0.03 -0.22 0.00 -1.11 0.00 0.00 56.01 54.65 1du2 n LEU 69 Cb 0.60 -1.77 0.17 0.00 0.53 0.00 0.00 43.42 42.94 1du2 n LEU 69 CO 0.18 -0.48 0.55 -0.81 -1.11 0.00 0.00 177.39 175.73 1du2 n PRO 70 N -1.05 -1.77 -1.15 1.96 -0.04 -1.26 -4.96 135.00 126.74 1du2 n PRO 70 Ca 0.01 -1.41 -0.37 0.00 -0.04 0.00 0.00 63.50 61.68 1du2 n PRO 70 Cb 0.41 -1.11 0.02 0.00 -0.04 0.00 0.00 33.50 32.78 1du2 n PRO 70 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1du2 n TYR 71 N -3.80 -3.51 -2.72 0.54 4.01 -1.26 -4.84 117.16 105.58 1du2 n TYR 71 Ca 0.12 0.31 -0.42 0.00 -0.16 0.00 0.00 57.90 57.74 1du2 n TYR 71 Cb 0.43 -1.58 -0.03 0.00 -0.31 0.00 0.00 39.34 37.86 1du2 n TYR 71 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1du2 s GLU 72 N -1.27 4.41 0.54 -0.72 2.12 -1.26 -5.04 118.70 117.48 1du2 s GLU 72 Ca 0.51 1.34 -0.09 0.00 0.36 0.00 0.00 54.97 57.09 1du2 s GLU 72 Cb -0.40 -3.54 0.13 0.00 0.26 0.00 0.00 34.13 30.58 1du2 s GLU 72 CO 0.70 -0.30 0.60 -0.35 -0.54 0.00 0.00 175.26 175.36 1du2 n PRO 73 N 4.98 -1.33 0.00 4.30 -0.04 -1.26 -4.94 135.00 136.70 1du2 n PRO 73 Ca 0.08 -0.93 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1du2 n PRO 73 Cb 0.49 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 -2.75 0.00 -1.68 0.54 0.00 -1.26 -5.12 118.16 107.88 1du2 n LYS 74 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1du2 n LYS 74 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 1du2 n LYS 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1du2 n LEU 75 N 0.00 -5.04 0.00 3.14 4.32 -1.26 -5.38 117.00 112.78 1du2 n LEU 75 Ca 0.00 2.37 0.00 0.00 -0.02 0.00 0.00 56.01 58.36 1du2 n LEU 75 Cb 0.00 -2.59 0.00 0.00 -1.62 0.00 0.00 43.42 39.21 1du2 n LEU 75 CO 0.00 -1.38 0.00 0.29 -1.22 0.00 0.00 177.39 175.08