#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 -2.91 4.03 7.94 -1.26 -4.83 117.00 119.97 1du2 n LEU 2 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1du2 n LEU 2 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1du2 n LEU 2 CO 0.00 0.00 -0.39 0.29 -1.11 0.00 0.00 177.39 176.18 1du2 n LYS 3 N 0.00 -2.38 -3.15 1.96 5.02 -1.26 -5.03 118.16 113.32 1du2 n LYS 3 Ca 0.00 2.03 0.05 0.00 -2.02 0.00 0.00 58.31 58.37 1du2 n LYS 3 Cb 0.00 -2.85 -0.01 0.00 -0.02 0.00 0.00 35.03 32.15 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 -0.70 -0.52 -0.10 4.39 4.22 -1.26 -5.16 114.94 115.80 1du2 s ASN 4 Ca -0.08 0.22 -0.08 0.00 -2.14 0.00 0.00 52.86 50.78 1du2 s ASN 4 Cb 0.01 1.39 0.03 0.00 1.28 0.00 0.00 41.25 43.96 1du2 s ASN 4 CO 0.36 -0.10 0.26 -0.76 -2.04 0.00 0.00 177.10 174.83 1du2 s LEU 5 N 2.95 0.79 -0.37 3.54 2.01 -1.26 -5.07 118.68 121.27 1du2 s LEU 5 Ca 0.09 0.54 0.12 0.00 0.01 0.00 0.00 54.13 54.89 1du2 s LEU 5 Cb -0.08 0.87 0.36 0.00 0.01 0.00 0.00 46.19 47.36 1du2 s LEU 5 CO -0.16 -0.12 0.80 0.00 1.01 0.00 0.00 176.35 177.88 1du2 n ALA 6 N 3.36 1.99 0.19 4.21 0.00 -1.26 -4.89 120.51 124.10 1du2 n ALA 6 Ca -0.17 -3.20 0.06 0.00 0.00 0.00 0.00 53.44 50.14 1du2 n ALA 6 Cb 0.57 -0.95 0.30 0.00 0.00 0.00 0.00 19.45 19.36 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 2.99 0.00 -5.43 0.00 2.10 -2.05 -3.48 116.57 110.70 1du2 h LYS 7 Ca 0.05 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.51 1du2 h LYS 7 Cb 1.01 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 32.50 1du2 h LYS 7 CO 0.47 0.36 -0.66 1.28 -2.00 0.00 0.00 179.45 178.89 1du2 n LEU 8 N -3.41 -5.92 0.00 7.07 4.32 -1.26 -4.91 117.00 112.88 1du2 n LEU 8 Ca 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1du2 n LEU 8 Cb 0.54 -3.24 0.00 0.00 -1.62 0.00 0.00 43.42 39.10 1du2 n LEU 8 CO 0.37 -0.18 0.00 0.47 -1.22 0.00 0.00 177.39 176.83 1du2 n ASP 9 N -2.90 0.00 -0.41 -1.43 8.00 -1.26 -5.04 116.55 113.52 1du2 n ASP 9 Ca -0.05 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.50 1du2 n ASP 9 Cb 0.59 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.73 1du2 n ASP 9 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1du2 n GLN 10 N 0.00 0.64 -0.05 -1.24 7.27 -1.26 -4.48 117.38 118.26 1du2 n GLN 10 Ca 0.00 -1.09 -0.18 0.00 0.07 0.00 0.00 57.00 55.80 1du2 n GLN 10 Cb 0.00 -1.19 -0.13 0.00 2.41 0.00 0.00 30.24 31.33 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 2.01 1.37 0.00 1.69 2.02 -1.96 -3.32 112.91 114.71 1du2 h THR 11 Ca 0.00 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.83 1du2 h THR 11 Cb 0.44 2.92 -0.00 0.00 -1.74 0.00 0.00 68.15 69.76 1du2 h THR 11 CO 0.00 0.57 -0.04 -0.08 0.37 0.00 0.00 175.52 176.34 1du2 h GLU 12 N -0.77 0.00 -0.38 6.66 4.81 -1.88 -1.07 114.58 121.95 1du2 h GLU 12 Ca -0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1du2 h GLU 12 Cb 1.33 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1du2 h GLU 12 CO -0.02 0.04 0.14 1.98 -0.73 0.00 0.00 179.01 180.42 1du2 h MET 13 N 0.00 0.53 0.00 1.92 4.05 -1.79 1.36 114.93 121.01 1du2 h MET 13 Ca -0.00 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 1du2 h MET 13 Cb 0.08 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1du2 h MET 13 CO 0.00 0.45 -0.61 0.22 0.23 0.00 0.00 176.91 177.21 1du2 h ASP 14 N 0.53 0.00 0.23 1.39 1.82 -1.32 -3.14 116.42 115.93 1du2 h ASP 14 Ca 0.13 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.43 1du2 h ASP 14 Cb 0.12 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.16 1du2 h ASP 14 CO -0.01 0.59 -1.59 0.11 -1.61 0.00 0.00 179.24 176.73 1du2 h LYS 15 N 0.00 0.49 0.00 0.28 6.56 -0.92 -3.19 116.57 119.78 1du2 h LYS 15 Ca -0.01 -0.83 0.00 0.00 -1.06 0.00 0.00 60.65 58.75 1du2 h LYS 15 Cb 1.46 0.31 0.00 0.00 -0.57 0.00 0.00 32.23 33.43 1du2 h LYS 15 CO 0.08 1.40 0.00 -0.24 -2.06 0.00 0.00 179.45 178.62 1du2 h VAL 16 N 0.12 0.00 0.00 0.50 3.04 0.17 0.40 116.25 120.49 1du2 h VAL 16 Ca -0.29 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1du2 h VAL 16 Cb 2.14 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.28 1du2 h VAL 16 CO 0.24 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 173.60 1du2 n ASN 17 N -2.80 0.00 -0.23 3.17 4.05 -1.19 -3.73 115.26 114.53 1du2 n ASN 17 Ca -0.02 0.60 0.25 0.00 0.45 0.00 0.00 54.58 55.86 1du2 n ASN 17 Cb 0.08 -0.48 0.63 0.00 1.23 0.00 0.00 39.78 41.23 1du2 n ASN 17 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1du2 h VAL 18 N 0.00 0.58 -0.96 3.44 2.07 -1.55 -0.36 116.25 119.46 1du2 h VAL 18 Ca 0.00 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.63 1du2 h VAL 18 Cb 0.00 0.38 -0.17 0.00 -1.52 0.00 0.00 31.29 29.98 1du2 h VAL 18 CO 0.00 0.03 -0.31 -0.78 0.02 0.00 0.00 177.57 176.53 1du2 h ASP 19 N 0.18 -1.14 -0.83 0.57 3.58 -1.00 1.65 116.42 119.42 1du2 h ASP 19 Ca 0.47 0.30 0.21 0.00 0.42 0.00 0.00 57.03 58.43 1du2 h ASP 19 Cb 1.56 0.67 -0.13 0.00 1.72 0.00 0.00 39.33 43.14 1du2 h ASP 19 CO -0.10 -0.31 0.18 0.17 -2.88 0.00 0.00 179.24 176.30 1du2 h LEU 20 N -0.01 -0.07 0.20 2.28 8.10 -1.16 -2.35 115.31 122.30 1du2 h LEU 20 Ca 0.40 0.19 -0.01 0.00 0.11 0.00 0.00 57.88 58.57 1du2 h LEU 20 Cb 0.65 0.27 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 1du2 h LEU 20 CO -0.98 -0.13 -0.10 0.00 -4.11 0.00 0.00 178.44 173.12 1du2 h ALA 21 N 1.73 -0.52 -3.52 0.17 0.00 0.20 -3.50 119.26 113.82 1du2 h ALA 21 Ca 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1du2 h ALA 21 Cb 0.95 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1du2 h ALA 21 CO -0.63 -0.50 -0.76 0.00 0.00 0.00 0.00 179.25 177.35 1du2 n ALA 22 N -2.32 -2.24 -2.66 0.00 0.00 0.13 -5.05 120.51 108.37 1du2 n ALA 22 Ca -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.75 1du2 n ALA 22 Cb 0.11 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 1.06 -3.53 -2.63 0.00 0.00 -1.26 -5.05 120.51 109.10 1du2 n ALA 23 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 1du2 n ALA 23 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 19.45 16.17 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 1.23 5.82 0.12 0.00 0.00 -1.26 -4.54 105.19 106.56 1du2 n GLY 24 Ca -0.01 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.34 0.00 -0.08 1.61 0.31 -1.26 -4.59 118.33 113.97 1du2 n VAL 25 Ca 0.38 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.60 1du2 n VAL 25 Cb 0.46 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 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 0.00 0.33 -0.50 3.52 0.00 -1.90 -0.55 119.26 120.16 1du2 h ALA 26 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 1du2 h ALA 26 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 1du2 h ALA 26 CO 0.00 0.03 0.36 0.34 0.00 0.00 0.00 179.25 179.97 1du2 n PHE 27 N -4.67 1.55 -1.83 0.00 -0.00 -1.26 -3.51 117.46 107.74 1du2 n PHE 27 Ca -0.03 -1.41 -0.04 0.00 -0.00 0.00 0.00 57.45 55.97 1du2 n PHE 27 Cb 0.22 -0.70 -0.04 0.00 -0.00 0.00 0.00 39.48 38.95 1du2 n PHE 27 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1du2 n LYS 28 N -0.15 0.00 -0.27 -4.13 5.02 -0.99 -4.81 118.16 112.83 1du2 n LYS 28 Ca 0.30 -0.57 0.07 0.00 -2.02 0.00 0.00 58.31 56.09 1du2 n LYS 28 Cb 0.94 0.40 0.15 0.00 -0.02 0.00 0.00 35.03 36.50 1du2 n LYS 28 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1du2 n GLU 29 N 0.00 -0.07 0.00 1.97 1.02 -0.25 -4.58 120.64 118.73 1du2 n GLU 29 Ca -0.16 1.16 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1du2 n GLU 29 Cb 0.53 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1du2 n ARG 30 N -5.16 0.00 -1.09 3.49 0.00 -1.26 -2.59 116.66 110.05 1du2 n ARG 30 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 1du2 n ARG 30 Cb 0.45 0.00 0.16 0.00 0.00 0.00 0.00 32.46 33.07 1du2 n ARG 30 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 1du2 n TYR 31 N 0.00 1.85 -3.42 -0.14 4.11 -1.26 -4.94 117.16 113.35 1du2 n TYR 31 Ca 0.00 -1.89 -0.19 0.00 -0.00 0.00 0.00 57.90 55.82 1du2 n TYR 31 Cb 0.00 -0.66 0.04 0.00 -0.00 0.00 0.00 39.34 38.72 1du2 n TYR 31 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1du2 n ASN 32 N -1.06 -6.25 -4.80 9.48 5.15 -1.07 -4.94 115.26 111.77 1du2 n ASN 32 Ca 0.42 -0.72 -0.34 0.00 -0.60 0.00 0.00 54.58 53.34 1du2 n ASN 32 Cb 1.09 -4.25 -0.04 0.00 -0.53 0.00 0.00 39.78 36.04 1du2 n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1du2 s MET 33 N -4.77 3.94 1.08 1.20 0.23 -1.21 -5.05 119.30 114.72 1du2 s MET 33 Ca 0.34 1.31 -0.18 0.00 -1.03 0.00 0.00 55.69 56.13 1du2 s MET 33 Cb -0.09 -2.15 0.25 0.00 -1.53 0.00 0.00 34.83 31.31 1du2 s MET 33 CO 0.80 -0.31 1.22 -1.25 -2.03 0.00 0.00 175.02 173.45 1du2 s PRO 34 N -3.16 -0.32 -0.66 3.16 0.04 -1.26 -4.82 135.00 127.97 1du2 s PRO 34 Ca 0.65 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 61.39 1du2 s PRO 34 Cb -0.15 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1du2 s PRO 34 CO 0.19 -3.08 1.80 1.33 0.04 0.00 0.00 177.00 177.28 1du2 n VAL 35 N -4.27 1.76 -3.94 -0.36 0.24 -1.26 -4.72 118.33 105.78 1du2 n VAL 35 Ca 0.14 -1.05 -0.10 0.00 -2.04 0.00 0.00 64.34 61.30 1du2 n VAL 35 Cb 0.59 -1.96 -0.10 0.00 -1.47 0.00 0.00 33.84 30.90 1du2 n VAL 35 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1du2 s ILE 36 N 3.86 0.11 -0.12 1.34 1.01 -1.26 -5.04 121.20 121.11 1du2 s ILE 36 Ca 0.29 -0.95 0.16 0.00 0.00 0.00 0.00 60.65 60.15 1du2 s ILE 36 Cb 0.07 -0.54 -0.24 0.00 0.01 0.00 0.00 42.46 41.76 1du2 s ILE 36 CO -0.02 -0.52 0.18 0.00 0.00 0.00 0.00 174.94 174.58 1du2 n ALA 37 N 1.26 1.96 1.81 9.38 0.00 -1.26 -4.07 120.51 129.59 1du2 n ALA 37 Ca -0.22 -0.88 0.13 0.00 0.00 0.00 0.00 53.44 52.47 1du2 n ALA 37 Cb 0.56 -0.29 0.69 0.00 0.00 0.00 0.00 19.45 20.41 1du2 n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1du2 n GLU 38 N -2.46 1.22 -0.13 0.00 2.13 -1.26 -3.44 120.64 116.70 1du2 n GLU 38 Ca -0.19 -0.32 -0.19 0.00 0.66 0.00 0.00 57.16 57.11 1du2 n GLU 38 Cb 0.85 -1.43 -0.11 0.00 0.27 0.00 0.00 31.44 31.02 1du2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1du2 n ALA 39 N -0.55 1.43 -0.26 4.31 0.00 -1.26 -2.93 120.51 121.25 1du2 n ALA 39 Ca 0.19 -1.08 0.08 0.00 0.00 0.00 0.00 53.44 52.63 1du2 n ALA 39 Cb 0.17 -0.05 0.33 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.13 0.96 0.17 0.00 2.07 -1.70 0.29 116.25 117.91 1du2 h VAL 40 Ca -0.58 -0.28 -0.33 0.00 0.82 0.00 0.00 66.70 66.33 1du2 h VAL 40 Cb 1.84 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1du2 h VAL 40 CO -0.13 0.15 -1.62 -0.08 0.02 0.00 0.00 177.57 175.91 1du2 h GLU 41 N 0.82 0.36 -0.30 1.57 4.81 -1.76 -1.50 114.58 118.58 1du2 h GLU 41 Ca 0.39 -0.62 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1du2 h GLU 41 Cb 0.43 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1du2 h GLU 41 CO -0.16 1.26 0.20 -0.09 -0.73 0.00 0.00 179.01 179.49 1du2 h ARG 42 N 0.10 0.31 0.00 1.92 1.12 -1.19 -3.36 114.38 113.28 1du2 h ARG 42 Ca -0.29 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 1du2 h ARG 42 Cb 2.08 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.97 1du2 h ARG 42 CO 0.19 0.20 0.00 0.39 -3.11 0.00 0.00 179.97 177.64 1du2 n GLU 43 N -4.49 0.00 -3.45 0.20 -0.58 0.95 -5.02 120.64 108.24 1du2 n GLU 43 Ca 0.02 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.62 1du2 n GLU 43 Cb 0.13 -0.14 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 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 0.00 0.26 -1.25 3.49 2.00 -0.62 -5.07 119.66 118.47 1du2 s GLN 44 Ca 0.00 0.39 -0.20 0.00 -2.00 0.00 0.00 55.36 53.55 1du2 s GLN 44 Cb 0.00 -0.81 -0.01 0.00 0.80 0.00 0.00 33.01 33.00 1du2 s GLN 44 CO 0.00 -0.62 1.83 -1.25 -0.50 0.00 0.00 175.29 174.75 1du2 s PRO 45 N 2.43 3.26 0.60 1.67 0.04 -0.89 -4.60 135.00 137.51 1du2 s PRO 45 Ca 0.09 -1.60 0.28 0.00 0.04 0.00 0.00 61.00 59.80 1du2 s PRO 45 Cb -0.15 -5.40 1.18 0.00 0.04 0.00 0.00 34.50 30.17 1du2 s PRO 45 CO -0.13 -3.11 1.57 1.49 0.04 0.00 0.00 177.00 176.86 1du2 h GLU 46 N 8.61 0.00 0.00 4.56 4.81 -1.83 4.07 114.58 134.80 1du2 h GLU 46 Ca 0.34 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1du2 h GLU 46 Cb 0.90 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 1du2 h GLU 46 CO 1.34 0.00 -0.11 1.12 -0.73 0.00 0.00 179.01 180.63 1du2 h HIS 47 N 0.00 0.00 0.02 0.92 2.07 -1.85 -3.15 115.15 113.16 1du2 h HIS 47 Ca 0.35 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.81 1du2 h HIS 47 Cb 2.10 0.00 0.01 0.00 2.57 0.00 0.00 27.41 32.09 1du2 h HIS 47 CO 0.00 0.11 -0.26 -0.07 -3.07 0.00 0.00 177.93 174.65 1du2 h LEU 48 N 0.00 0.18 -1.49 6.12 -0.00 0.75 -2.68 115.31 118.19 1du2 h LEU 48 Ca -0.00 -0.88 0.45 0.00 -0.00 0.00 0.00 57.88 57.45 1du2 h LEU 48 Cb 0.80 -0.06 -0.12 0.00 -0.00 0.00 0.00 40.66 41.28 1du2 h LEU 48 CO 0.01 1.04 0.92 0.08 -0.00 0.00 0.00 178.44 180.49 1du2 h ARG 49 N -0.65 0.06 0.23 1.13 0.11 -1.44 2.88 114.38 116.70 1du2 h ARG 49 Ca -0.04 -0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.69 1du2 h ARG 49 Cb 1.10 -0.01 0.03 0.00 1.11 0.00 0.00 29.97 32.19 1du2 h ARG 49 CO 0.05 0.04 -1.59 0.77 0.10 0.00 0.00 179.97 179.34 1du2 h SER 50 N 0.07 0.75 0.00 0.08 0.02 -1.63 0.55 113.55 113.38 1du2 h SER 50 Ca 0.83 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1du2 h SER 50 Cb 2.73 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 65.03 1du2 h SER 50 CO -0.37 1.75 0.00 0.79 -1.14 0.00 0.00 176.83 177.86 1du2 n TRP 51 N -3.68 0.00 -0.04 3.45 8.01 0.45 -0.45 117.44 125.18 1du2 n TRP 51 Ca -0.20 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 55.91 1du2 n TRP 51 Cb 1.09 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.36 1du2 n TRP 51 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1du2 n PHE 52 N -0.96 0.00 1.50 -5.99 3.01 0.86 -4.62 117.46 111.25 1du2 n PHE 52 Ca 0.21 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.81 1du2 n PHE 52 Cb 0.10 -0.28 0.53 0.00 -0.01 0.00 0.00 39.48 39.81 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1du2 n ARG 53 N -3.10 1.65 -0.57 -1.08 0.63 0.19 -4.27 116.66 110.11 1du2 n ARG 53 Ca -0.15 -0.94 0.44 0.00 -0.92 0.00 0.00 57.85 56.29 1du2 n ARG 53 Cb 0.62 -1.48 0.69 0.00 0.45 0.00 0.00 32.46 32.75 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 0.14 -0.01 -2.16 -0.14 0.28 0.40 -3.20 120.64 115.96 1du2 n GLU 54 Ca 0.19 0.99 -0.30 0.00 -0.16 0.00 0.00 57.16 57.88 1du2 n GLU 54 Cb 0.34 -2.19 -0.05 0.00 1.43 0.00 0.00 31.44 30.97 1du2 n GLU 54 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1du2 s ARG 55 N -4.73 2.76 -0.35 3.44 6.06 -1.26 -4.05 118.95 120.82 1du2 s ARG 55 Ca -0.05 -0.98 -0.11 0.00 -2.50 0.00 0.00 55.73 52.10 1du2 s ARG 55 Cb 0.24 -5.23 0.01 0.00 0.06 0.00 0.00 34.95 30.04 1du2 s ARG 55 CO 0.77 -3.46 0.41 1.28 -2.50 0.00 0.00 175.30 171.79 1du2 n LEU 56 N 13.17 -7.18 -0.03 -0.88 4.77 -1.21 -5.00 117.00 120.64 1du2 n LEU 56 Ca 0.43 0.63 -0.04 0.00 -0.03 0.00 0.00 56.01 57.00 1du2 n LEU 56 Cb 0.47 -3.08 -0.03 0.00 -2.33 0.00 0.00 43.42 38.45 1du2 n LEU 56 CO 0.66 -2.21 -0.70 0.00 -1.33 0.00 0.00 177.39 173.81 1du2 n ILE 57 N -0.13 0.36 -3.20 -0.08 3.06 -1.19 -5.05 119.36 113.13 1du2 n ILE 57 Ca 0.08 -0.15 -0.14 0.00 -2.50 0.00 0.00 62.75 60.03 1du2 n ILE 57 Cb 0.31 -0.76 0.07 0.00 0.54 0.00 0.00 39.64 39.81 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1du2 n ALA 58 N -2.58 -2.43 -2.09 1.51 0.00 -1.26 -5.02 120.51 108.63 1du2 n ALA 58 Ca -0.11 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1du2 n ALA 58 Cb 0.63 -5.64 0.01 0.00 0.00 0.00 0.00 19.45 14.45 1du2 n ALA 58 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1du2 s HIS 59 N -3.38 2.31 0.00 0.00 4.02 -1.26 -5.08 115.29 111.91 1du2 s HIS 59 Ca 0.44 -0.54 0.00 0.00 1.02 0.00 0.00 55.06 55.98 1du2 s HIS 59 Cb -0.06 -2.25 0.00 0.00 -1.02 0.00 0.00 32.58 29.25 1du2 s HIS 59 CO 0.72 -0.56 0.00 0.54 1.02 0.00 0.00 174.74 176.45 1du2 n ARG 60 N -1.89 0.00 -1.26 1.40 1.74 -1.26 -5.18 116.66 110.21 1du2 n ARG 60 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1du2 n ARG 60 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.05 1du2 n ARG 60 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1du2 n LEU 61 N -1.59 0.00 0.00 0.55 -0.00 -1.26 -5.12 117.00 109.59 1du2 n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1du2 n LEU 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1du2 n LEU 61 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1du2 n ALA 62 N -3.00 2.99 -1.59 1.47 0.00 -1.26 -5.11 120.51 114.01 1du2 n ALA 62 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.49 -2.37 0.00 0.00 2.88 -1.26 -5.09 113.62 105.29 1du2 n SER 63 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1du2 n SER 63 Cb 0.00 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 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 -0.70 0.00 0.01 2.46 0.31 -1.26 -4.87 118.33 114.28 1du2 n VAL 64 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1du2 n VAL 64 Cb 0.21 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.08 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 0.00 0.07 -4.52 4.52 -1.24 -1.94 -3.48 115.58 108.99 1du2 h ASN 65 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1du2 h ASN 65 Cb 0.00 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1du2 h ASN 65 CO 0.00 0.06 -0.49 -0.11 -1.29 0.00 0.00 177.43 175.60 1du2 n LEU 66 N -5.04 -6.11 -3.66 0.34 0.00 -1.26 -5.07 117.00 96.20 1du2 n LEU 66 Ca -0.06 0.63 -0.07 0.00 0.00 0.00 0.00 56.01 56.51 1du2 n LEU 66 Cb 0.03 -2.64 -0.09 0.00 0.00 0.00 0.00 43.42 40.73 1du2 n LEU 66 CO 0.33 -1.87 0.06 -0.44 0.00 0.00 0.00 177.39 175.47 1du2 s SER 67 N -1.69 -0.39 -0.28 1.96 0.01 -1.26 -5.12 113.70 106.94 1du2 s SER 67 Ca 0.10 1.08 -0.26 0.00 1.31 0.00 0.00 55.95 58.17 1du2 s SER 67 Cb -0.03 1.48 0.17 0.00 0.21 0.00 0.00 66.02 67.85 1du2 s SER 67 CO 0.53 -0.23 1.30 -0.60 0.41 0.00 0.00 173.24 174.66 1du2 s ARG 68 N 2.63 0.20 -0.36 12.44 3.00 -1.26 -4.87 118.95 130.74 1du2 s ARG 68 Ca -0.02 0.17 -0.03 0.00 -1.00 0.00 0.00 55.73 54.85 1du2 s ARG 68 Cb -0.12 0.10 0.18 0.00 0.00 0.00 0.00 34.95 35.11 1du2 s ARG 68 CO -0.14 -0.04 0.88 -0.48 0.00 0.00 0.00 175.30 175.53 1du2 s LEU 69 N -0.25 -0.80 1.01 -0.88 2.34 -1.26 -5.17 118.68 113.66 1du2 s LEU 69 Ca 0.06 -0.41 -0.15 0.00 0.06 0.00 0.00 54.13 53.69 1du2 s LEU 69 Cb -0.04 1.03 0.20 0.00 -0.56 0.00 0.00 46.19 46.82 1du2 s LEU 69 CO -0.11 -0.09 1.18 -2.16 -1.06 0.00 0.00 176.35 174.12 1du2 s PRO 70 N 1.92 0.32 -0.04 1.48 0.04 -1.26 -5.09 135.00 132.37 1du2 s PRO 70 Ca 0.15 -0.02 -0.31 0.00 0.04 0.00 0.00 61.00 60.86 1du2 s PRO 70 Cb 0.00 -1.77 0.13 0.00 0.04 0.00 0.00 34.50 32.90 1du2 s PRO 70 CO -0.12 -2.69 1.34 1.52 0.04 0.00 0.00 177.00 177.10 1du2 s TYR 71 N -3.38 -0.03 0.06 0.56 1.13 -1.26 -5.18 117.35 109.25 1du2 s TYR 71 Ca 0.69 -0.04 0.04 0.00 -1.41 0.00 0.00 57.07 56.35 1du2 s TYR 71 Cb -0.10 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1du2 s TYR 71 CO 0.54 -0.18 -0.12 -1.21 -2.51 0.00 0.00 175.55 172.07 1du2 s GLU 72 N -2.28 0.75 0.00 -3.49 8.01 -1.26 -5.09 118.70 115.34 1du2 s GLU 72 Ca 0.14 -0.85 0.00 0.00 0.01 0.00 0.00 54.97 54.28 1du2 s GLU 72 Cb 0.06 -0.69 0.00 0.00 -4.31 0.00 0.00 34.13 29.19 1du2 s GLU 72 CO -0.05 0.15 0.23 -0.35 0.01 0.00 0.00 175.26 175.26 1du2 n PRO 73 N 1.48 0.00 -3.65 0.39 -0.04 -1.26 -5.04 135.00 126.89 1du2 n PRO 73 Ca -0.21 0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 1du2 n PRO 73 Cb 0.54 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.89 1du2 n PRO 73 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1du2 s LYS 74 N -1.30 0.11 0.07 0.54 2.36 -1.26 -5.13 119.74 115.13 1du2 s LYS 74 Ca 0.00 0.13 0.00 0.00 -2.55 0.00 0.00 55.97 53.55 1du2 s LYS 74 Cb 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 37.83 36.83 1du2 s LYS 74 CO 0.00 -0.01 0.00 -0.11 1.55 0.00 0.00 175.35 176.78 1du2 n LEU 75 N 1.70 -3.34 0.00 5.43 7.94 -1.26 -5.35 117.00 122.12 1du2 n LEU 75 Ca -0.11 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1du2 n LEU 75 Cb 0.57 -1.65 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1du2 n LEU 75 CO 0.01 -0.56 0.06 2.29 -1.11 0.00 0.00 177.39 178.08