#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 0.00 3.17 -0.00 -1.26 -5.18 117.00 113.73 1du2 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1du2 n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1du2 n LEU 2 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 1du2 n LYS 3 N 0.00 0.00 0.00 1.96 4.81 -1.26 -5.13 118.16 118.54 1du2 n LYS 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1du2 n LYS 3 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1du2 n LYS 3 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1du2 n ASN 4 N -0.35 0.00 -2.67 3.14 2.85 -1.26 -5.08 115.26 111.89 1du2 n ASN 4 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1du2 n ASN 4 Cb 0.00 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.11 1du2 n ASN 4 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1du2 n LEU 5 N 0.00 -1.42 0.00 1.20 -0.00 -1.26 -5.11 117.00 110.40 1du2 n LEU 5 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 56.01 54.01 1du2 n LEU 5 Cb 0.00 0.75 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1du2 n LEU 5 CO 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 177.39 179.02 1du2 n ALA 6 N 1.10 0.00 -0.08 1.96 0.00 -1.26 -5.07 120.51 117.16 1du2 n ALA 6 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1du2 n ALA 6 Cb 0.72 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 1du2 n ALA 6 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1du2 h LYS 7 N 0.00 0.00 -5.55 0.00 3.64 -2.03 -3.50 116.57 109.13 1du2 h LYS 7 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1du2 h LYS 7 Cb 0.00 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1du2 h LYS 7 CO 0.00 0.71 -0.96 1.28 -2.27 0.00 0.00 179.45 178.21 1du2 n LEU 8 N -4.59 -5.72 -2.09 5.20 4.77 -1.26 -4.82 117.00 108.49 1du2 n LEU 8 Ca -0.14 1.52 -0.24 0.00 -0.03 0.00 0.00 56.01 57.12 1du2 n LEU 8 Cb 0.43 -2.57 0.10 0.00 -2.33 0.00 0.00 43.42 39.05 1du2 n LEU 8 CO 0.21 -3.22 1.26 -0.67 -1.33 0.00 0.00 177.39 173.64 1du2 n ASP 9 N 1.73 5.61 0.00 -1.43 -0.08 -1.26 -4.87 116.55 116.25 1du2 n ASP 9 Ca -0.17 -3.42 0.00 0.00 -1.51 0.00 0.00 54.79 49.69 1du2 n ASP 9 Cb 0.33 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 42.89 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 -0.62 0.00 -0.25 -0.67 7.27 -1.26 -4.57 117.38 117.27 1du2 n GLN 10 Ca 0.50 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.52 1du2 n GLN 10 Cb 1.00 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.72 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 1.15 0.00 1.69 2.02 -2.01 0.94 112.91 116.70 1du2 h THR 11 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1du2 h THR 11 Cb 0.00 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 1du2 h THR 11 CO 0.00 0.17 0.00 1.21 0.37 0.00 0.00 175.52 177.27 1du2 n GLU 12 N -4.62 0.12 0.09 6.66 2.13 -1.26 -2.27 120.64 121.49 1du2 n GLU 12 Ca 0.07 0.14 -0.00 0.00 0.66 0.00 0.00 57.16 58.03 1du2 n GLU 12 Cb 0.04 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.22 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 0.00 0.00 5.31 -0.00 -1.17 -1.95 114.93 117.12 1du2 h MET 13 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.50 1du2 h MET 13 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.84 1du2 h MET 13 CO 0.00 0.49 -0.93 0.22 -0.00 0.00 0.00 176.91 176.69 1du2 h ASP 14 N 0.00 0.00 0.00 -0.10 3.58 -1.18 -3.22 116.42 115.50 1du2 h ASP 14 Ca -0.07 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1du2 h ASP 14 Cb 1.52 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.57 1du2 h ASP 14 CO 0.07 0.93 -0.01 0.11 -2.88 0.00 0.00 179.24 177.46 1du2 h LYS 15 N 0.00 0.00 -1.18 0.28 6.56 -1.60 -3.22 116.57 117.41 1du2 h LYS 15 Ca -0.01 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.00 1du2 h LYS 15 Cb 1.67 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 33.20 1du2 h LYS 15 CO 0.12 0.29 0.74 1.55 -2.06 0.00 0.00 179.45 180.09 1du2 n VAL 16 N -4.73 -0.26 0.06 0.50 3.14 -0.73 0.06 118.33 116.37 1du2 n VAL 16 Ca -0.03 1.68 -0.02 0.00 -2.96 0.00 0.00 64.34 63.01 1du2 n VAL 16 Cb 0.14 -2.75 -0.01 0.00 -1.06 0.00 0.00 33.84 30.16 1du2 n VAL 16 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1du2 h ASN 17 N 0.00 -0.14 -1.08 6.55 -0.00 -1.63 -2.60 115.58 116.69 1du2 h ASN 17 Ca 0.79 0.00 0.31 0.00 -0.00 0.00 0.00 56.30 57.41 1du2 h ASN 17 Cb 2.47 0.03 -0.04 0.00 -0.00 0.00 0.00 38.32 40.78 1du2 h ASN 17 CO -0.48 -0.09 0.98 0.58 -0.00 0.00 0.00 177.43 178.43 1du2 h VAL 18 N -0.18 0.18 -0.83 2.57 2.07 -0.38 1.07 116.25 120.75 1du2 h VAL 18 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1du2 h VAL 18 Cb 0.12 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 1du2 h VAL 18 CO 0.03 0.00 0.43 -0.78 0.02 0.00 0.00 177.57 177.27 1du2 h ASP 19 N 0.00 0.54 1.06 0.57 1.82 -0.30 0.73 116.42 120.84 1du2 h ASP 19 Ca 0.51 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 57.20 1du2 h ASP 19 Cb 2.47 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 42.47 1du2 h ASP 19 CO -0.01 0.25 -0.18 -0.07 -1.61 0.00 0.00 179.24 177.63 1du2 h LEU 20 N 0.65 0.00 0.00 2.28 4.07 0.12 -3.30 115.31 119.13 1du2 h LEU 20 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1du2 h LEU 20 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1du2 h LEU 20 CO -0.33 0.18 0.00 0.00 -1.08 0.00 0.00 178.44 177.21 1du2 n ALA 21 N -2.19 -0.33 0.00 1.53 0.00 0.25 -5.00 120.51 114.77 1du2 n ALA 21 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1du2 n ALA 21 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.67 0.00 0.00 0.00 0.00 -0.74 -5.12 120.51 112.98 1du2 n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.28 0.00 -0.95 0.00 0.00 -1.26 -4.87 120.51 113.16 1du2 n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1du2 n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.29 0.01 0.00 0.00 -1.26 -4.67 105.19 98.98 1du2 n GLY 24 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.08 0.06 -0.64 1.61 0.31 -1.26 -4.48 118.33 112.85 1du2 n VAL 25 Ca 0.00 -0.29 0.50 0.00 -0.01 0.00 0.00 64.34 64.54 1du2 n VAL 25 Cb 0.00 0.15 0.79 0.00 -0.91 0.00 0.00 33.84 33.87 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 1.04 3.76 -2.75 3.52 0.00 -1.97 -3.39 119.26 119.46 1du2 h ALA 26 Ca -0.02 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 1du2 h ALA 26 Cb 0.64 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 1du2 h ALA 26 CO 0.00 -2.33 -0.53 0.12 0.00 0.00 0.00 179.25 176.51 1du2 s PHE 27 N -4.82 1.41 0.00 0.00 5.36 -1.26 -3.64 117.98 115.02 1du2 s PHE 27 Ca -0.05 -1.49 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 1du2 s PHE 27 Cb 0.25 -0.59 0.00 0.00 -0.34 0.00 0.00 43.02 42.35 1du2 s PHE 27 CO 0.85 -0.78 0.00 1.17 -1.46 0.00 0.00 175.22 175.00 1du2 n LYS 28 N -0.45 0.00 -0.48 10.12 3.00 -1.26 -4.83 118.16 124.26 1du2 n LYS 28 Ca 0.04 0.00 0.40 0.00 -0.00 0.00 0.00 58.31 58.76 1du2 n LYS 28 Cb 0.64 -0.33 0.62 0.00 0.00 0.00 0.00 35.03 35.96 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 -1.14 0.00 0.19 1.64 0.28 -1.26 0.18 120.64 120.54 1du2 n GLU 29 Ca 0.00 0.96 0.16 0.00 -0.16 0.00 0.00 57.16 58.12 1du2 n GLU 29 Cb 0.00 -2.27 0.60 0.00 1.43 0.00 0.00 31.44 31.20 1du2 n GLU 29 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1du2 h ARG 30 N 0.00 0.00 -0.60 3.44 2.43 -1.95 1.66 114.38 119.36 1du2 h ARG 30 Ca 0.71 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.88 1du2 h ARG 30 Cb 3.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.70 1du2 h ARG 30 CO -0.01 0.00 0.00 2.48 -1.51 0.00 0.00 179.97 180.93 1du2 n TYR 31 N -3.09 0.47 -2.73 2.20 0.18 0.49 -4.87 117.16 109.80 1du2 n TYR 31 Ca 0.04 -0.18 -0.07 0.00 1.88 0.00 0.00 57.90 59.57 1du2 n TYR 31 Cb 0.71 -0.13 0.03 0.00 -0.38 0.00 0.00 39.34 39.58 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 0.16 -5.71 -4.67 9.48 2.85 0.56 -4.97 115.26 112.97 1du2 n ASN 32 Ca 0.08 -0.36 -0.41 0.00 -0.11 0.00 0.00 54.58 53.78 1du2 n ASN 32 Cb 0.38 -4.03 -0.04 0.00 1.24 0.00 0.00 39.78 37.33 1du2 n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1du2 s MET 33 N -3.66 4.28 1.06 1.20 0.23 -1.01 -5.05 119.30 116.35 1du2 s MET 33 Ca 0.22 0.95 -0.17 0.00 -1.03 0.00 0.00 55.69 55.66 1du2 s MET 33 Cb -0.03 -3.57 0.23 0.00 -1.53 0.00 0.00 34.83 29.93 1du2 s MET 33 CO 0.54 -0.31 1.21 -1.25 -2.03 0.00 0.00 175.02 173.18 1du2 s PRO 34 N 2.10 -0.11 -0.40 3.16 0.04 -1.26 -4.82 135.00 133.71 1du2 s PRO 34 Ca 0.37 -0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.19 1du2 s PRO 34 Cb -0.16 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1du2 s PRO 34 CO 0.12 -2.95 1.84 1.33 0.04 0.00 0.00 177.00 177.38 1du2 n VAL 35 N -4.20 1.60 -3.90 -0.36 0.24 -1.26 -4.69 118.33 105.77 1du2 n VAL 35 Ca 0.13 -0.90 -0.09 0.00 -2.04 0.00 0.00 64.34 61.44 1du2 n VAL 35 Cb 0.59 -1.86 -0.08 0.00 -1.47 0.00 0.00 33.84 31.02 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 3.09 0.15 -0.10 1.34 1.01 -1.26 -5.06 121.20 120.36 1du2 s ILE 36 Ca 0.29 -1.20 0.03 0.00 0.00 0.00 0.00 60.65 59.77 1du2 s ILE 36 Cb 0.10 -1.21 -0.08 0.00 0.01 0.00 0.00 42.46 41.29 1du2 s ILE 36 CO -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 174.94 174.20 1du2 n ALA 37 N 0.25 1.78 0.17 9.38 0.00 -1.26 -4.24 120.51 126.58 1du2 n ALA 37 Ca -0.16 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 52.88 1du2 n ALA 37 Cb 0.61 0.20 0.42 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.67 0.10 0.00 0.00 2.13 -1.26 0.06 120.64 119.01 1du2 n GLU 38 Ca -0.17 0.56 0.11 0.00 0.66 0.00 0.00 57.16 58.31 1du2 n GLU 38 Cb 0.72 -1.81 -0.14 0.00 0.27 0.00 0.00 31.44 30.48 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 -1.69 3.08 -0.03 4.31 0.00 -1.26 -2.91 120.51 122.00 1du2 n ALA 39 Ca -0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1du2 n ALA 39 Cb 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.00 1.30 0.11 0.00 2.07 -0.55 0.67 116.25 119.85 1du2 h VAL 40 Ca 0.00 -1.81 -0.32 0.00 0.82 0.00 0.00 66.70 65.39 1du2 h VAL 40 Cb 0.92 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1du2 h VAL 40 CO 0.00 0.57 -1.69 -0.33 0.02 0.00 0.00 177.57 176.15 1du2 h GLU 41 N 0.53 0.23 -0.10 1.57 5.08 -1.65 -2.72 114.58 117.52 1du2 h GLU 41 Ca 0.00 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 1du2 h GLU 41 Cb 1.16 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1du2 h GLU 41 CO 0.12 1.07 -0.35 -0.09 -1.00 0.00 0.00 179.01 178.75 1du2 h ARG 42 N 0.06 0.21 0.00 2.33 2.43 -1.56 -3.32 114.38 114.53 1du2 h ARG 42 Ca -0.30 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1du2 h ARG 42 Cb 2.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 1du2 h ARG 42 CO 0.13 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 1du2 n GLU 43 N -4.08 0.00 -3.52 0.20 -0.58 0.22 -4.93 120.64 107.95 1du2 n GLU 43 Ca -0.01 0.22 -0.21 0.00 -0.42 0.00 0.00 57.16 56.73 1du2 n GLU 43 Cb 0.43 -0.71 -0.14 0.00 -0.57 0.00 0.00 31.44 30.45 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 -0.45 0.17 -1.24 3.49 0.74 -1.03 -5.07 119.66 116.27 1du2 s GLN 44 Ca 0.00 0.02 -0.20 0.00 0.05 0.00 0.00 55.36 55.22 1du2 s GLN 44 Cb 0.00 -1.33 -0.01 0.00 1.10 0.00 0.00 33.01 32.77 1du2 s GLN 44 CO 0.00 -0.73 1.84 -0.35 -0.55 0.00 0.00 175.29 175.50 1du2 n PRO 45 N 5.30 2.42 -0.17 1.67 -0.04 -1.24 -4.58 135.00 138.37 1du2 n PRO 45 Ca -0.06 -2.86 -0.03 0.00 -0.04 0.00 0.00 63.50 60.51 1du2 n PRO 45 Cb 0.48 -3.59 -0.03 0.00 -0.04 0.00 0.00 33.50 30.33 1du2 n PRO 45 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1du2 n GLU 46 N 8.26 -0.16 -0.25 0.54 0.28 -1.26 0.39 120.64 128.44 1du2 n GLU 46 Ca 0.47 0.62 0.02 0.00 -0.16 0.00 0.00 57.16 58.11 1du2 n GLU 46 Cb 0.46 -0.91 0.11 0.00 1.43 0.00 0.00 31.44 32.52 1du2 n GLU 46 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 1du2 h HIS 47 N 0.00 -0.28 -1.44 -1.84 2.07 -1.88 1.48 115.15 113.26 1du2 h HIS 47 Ca 0.08 0.06 0.42 0.00 -2.85 0.00 0.00 60.37 58.09 1du2 h HIS 47 Cb 0.19 0.24 -0.06 0.00 2.57 0.00 0.00 27.41 30.35 1du2 h HIS 47 CO -0.40 -0.29 1.05 -0.07 -3.07 0.00 0.00 177.93 175.14 1du2 h LEU 48 N 0.03 0.00 -0.95 6.12 -0.00 0.69 1.69 115.31 122.89 1du2 h LEU 48 Ca 0.37 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.35 1du2 h LEU 48 Cb 0.59 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.17 1du2 h LEU 48 CO -0.72 0.00 0.59 0.08 -0.00 0.00 0.00 178.44 178.39 1du2 h ARG 49 N 0.00 0.93 0.00 1.13 0.11 0.23 1.48 114.38 118.27 1du2 h ARG 49 Ca 0.69 -0.06 -0.17 0.00 0.10 0.00 0.00 59.98 60.54 1du2 h ARG 49 Cb 2.77 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 33.61 1du2 h ARG 49 CO -0.01 0.62 -1.95 0.43 0.10 0.00 0.00 179.97 179.17 1du2 n SER 50 N -4.64 1.15 0.20 0.08 7.64 0.40 -2.07 113.62 116.38 1du2 n SER 50 Ca 0.17 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.12 1du2 n SER 50 Cb 0.31 1.25 0.33 0.00 -1.01 0.00 0.00 64.21 65.10 1du2 n SER 50 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1du2 h TRP 51 N 0.00 0.00 0.00 1.43 -0.00 0.22 0.76 115.95 118.35 1du2 h TRP 51 Ca -0.25 0.00 -0.28 0.00 -0.00 0.00 0.00 58.89 58.36 1du2 h TRP 51 Cb 1.47 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.58 1du2 h TRP 51 CO 0.00 0.31 -2.07 0.34 -0.00 0.00 0.00 178.44 177.02 1du2 n PHE 52 N -3.38 0.00 1.35 0.49 7.35 0.50 -4.44 117.46 119.34 1du2 n PHE 52 Ca 0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1du2 n PHE 52 Cb 0.51 -0.73 0.45 0.00 0.35 0.00 0.00 39.48 40.06 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 -3.02 1.76 -0.31 -4.13 0.63 -0.88 -4.36 116.66 106.35 1du2 n ARG 53 Ca -0.33 -1.11 0.27 0.00 -0.92 0.00 0.00 57.85 55.76 1du2 n ARG 53 Cb 0.86 -1.46 0.46 0.00 0.45 0.00 0.00 32.46 32.77 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 0.34 -0.03 -0.16 -0.14 -0.00 0.26 0.17 120.64 121.09 1du2 n GLU 54 Ca 0.18 0.87 -0.07 0.00 -0.00 0.00 0.00 57.16 58.14 1du2 n GLU 54 Cb 0.37 -1.69 -0.05 0.00 -0.00 0.00 0.00 31.44 30.07 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 -0.09 -2.09 3.44 3.08 -1.82 -3.34 114.38 113.56 1du2 h ARG 55 Ca 0.60 0.01 -0.53 0.00 0.07 0.00 0.00 59.98 60.13 1du2 h ARG 55 Cb 1.89 0.02 -0.35 0.00 0.08 0.00 0.00 29.97 31.61 1du2 h ARG 55 CO -0.34 -0.06 -0.93 1.28 -1.07 0.00 0.00 179.97 178.84 1du2 n LEU 56 N -4.17 -0.79 -0.05 3.04 4.77 0.13 -4.90 117.00 115.02 1du2 n LEU 56 Ca -0.00 -4.23 -0.04 0.00 -0.03 0.00 0.00 56.01 51.70 1du2 n LEU 56 Cb 0.16 0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 41.76 1du2 n LEU 56 CO -0.05 1.90 -0.83 0.00 -1.33 0.00 0.00 177.39 177.08 1du2 n ILE 57 N 2.60 0.68 -1.29 -0.08 0.00 -1.00 -4.97 119.36 115.30 1du2 n ILE 57 Ca 0.27 -0.44 -0.58 0.00 0.00 0.00 0.00 62.75 62.00 1du2 n ILE 57 Cb 0.50 -0.63 -0.12 0.00 0.00 0.00 0.00 39.64 39.39 1du2 n ILE 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1du2 n ALA 58 N -2.36 0.33 -1.00 1.51 0.00 -1.26 -4.55 120.51 113.18 1du2 n ALA 58 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1du2 n ALA 58 Cb 0.81 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1du2 n ALA 58 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1du2 n HIS 59 N 8.01 0.00 -3.65 0.00 -0.00 -1.26 -5.16 115.22 113.16 1du2 n HIS 59 Ca 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.26 1du2 n HIS 59 Cb -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.92 1du2 n HIS 59 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1du2 s ARG 60 N 0.00 0.13 -0.20 1.57 0.52 -1.26 -5.15 118.95 114.56 1du2 s ARG 60 Ca 0.00 0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 55.37 1du2 s ARG 60 Cb 0.00 0.04 0.10 0.00 0.52 0.00 0.00 34.95 35.61 1du2 s ARG 60 CO 0.00 -0.02 0.30 -1.17 0.02 0.00 0.00 175.30 174.43 1du2 s LEU 61 N 0.77 -0.38 0.00 2.53 1.98 -1.26 -5.11 118.68 117.21 1du2 s LEU 61 Ca -0.03 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.40 1du2 s LEU 61 Cb -0.03 0.78 0.00 0.00 0.66 0.00 0.00 46.19 47.60 1du2 s LEU 61 CO -0.12 -0.29 0.00 0.00 -1.89 0.00 0.00 176.35 174.05 1du2 n ALA 62 N 5.35 0.00 0.00 5.97 0.00 -1.26 -5.06 120.51 125.51 1du2 n ALA 62 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1du2 n ALA 62 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1du2 n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1du2 n SER 63 N 0.00 0.00 0.00 0.00 3.41 -1.26 -5.14 113.62 110.64 1du2 n SER 63 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1du2 n SER 63 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1du2 n VAL 64 N 0.00 0.00 0.00 -3.33 0.31 -1.26 -4.90 118.33 109.14 1du2 n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1du2 n VAL 64 Cb 0.00 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1du2 n VAL 64 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1du2 n ASN 65 N 0.00 0.00 -2.18 4.52 2.85 -1.24 -5.04 115.26 114.16 1du2 n ASN 65 Ca 0.00 0.46 -0.03 0.00 -0.11 0.00 0.00 54.58 54.89 1du2 n ASN 65 Cb 0.00 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1du2 n ASN 65 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1du2 n LEU 66 N -1.82 -4.87 -4.22 1.20 7.94 -1.26 -5.03 117.00 108.94 1du2 n LEU 66 Ca 0.00 0.22 -0.34 0.00 -1.11 0.00 0.00 56.01 54.78 1du2 n LEU 66 Cb 0.00 -2.19 -0.15 0.00 0.53 0.00 0.00 43.42 41.62 1du2 n LEU 66 CO 0.00 -1.08 -0.44 -0.44 -1.11 0.00 0.00 177.39 174.32 1du2 s SER 67 N -1.90 3.87 -0.27 1.96 0.01 -1.26 -5.08 113.70 111.02 1du2 s SER 67 Ca 0.10 -0.56 -0.23 0.00 1.31 0.00 0.00 55.95 56.57 1du2 s SER 67 Cb -0.03 -1.63 0.08 0.00 0.21 0.00 0.00 66.02 64.65 1du2 s SER 67 CO 0.38 -0.03 0.76 0.00 0.41 0.00 0.00 173.24 174.76 1du2 s ARG 68 N 1.38 0.75 -0.31 12.44 1.70 -1.26 -5.07 118.95 128.59 1du2 s ARG 68 Ca 0.05 0.98 -0.12 0.00 -0.47 0.00 0.00 55.73 56.17 1du2 s ARG 68 Cb -0.14 0.32 0.19 0.00 -0.57 0.00 0.00 34.95 34.75 1du2 s ARG 68 CO -0.07 -0.10 1.11 -1.17 -1.08 0.00 0.00 175.30 173.99 1du2 s LEU 69 N 0.65 -0.14 1.08 -1.89 2.96 -1.26 -5.17 118.68 114.90 1du2 s LEU 69 Ca -0.02 -0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 53.64 1du2 s LEU 69 Cb -0.05 0.18 0.24 0.00 0.50 0.00 0.00 46.19 47.06 1du2 s LEU 69 CO -0.05 -0.02 1.22 -2.16 -1.32 0.00 0.00 176.35 174.02 1du2 s PRO 70 N 1.97 -0.24 0.16 0.98 0.04 -1.26 -5.09 135.00 131.55 1du2 s PRO 70 Ca 0.14 -0.23 -0.13 0.00 0.04 0.00 0.00 61.00 60.82 1du2 s PRO 70 Cb 0.04 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.90 1du2 s PRO 70 CO -0.16 -3.03 0.63 0.66 0.04 0.00 0.00 177.00 175.14 1du2 n TYR 71 N -4.24 -1.31 -2.32 0.56 4.01 -1.26 -5.09 117.16 107.51 1du2 n TYR 71 Ca 0.14 -0.94 -0.02 0.00 -0.16 0.00 0.00 57.90 56.92 1du2 n TYR 71 Cb 0.59 0.46 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1du2 n TYR 71 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1du2 n GLU 72 N -0.44 -1.92 0.01 -0.72 2.13 -1.26 -4.97 120.64 113.47 1du2 n GLU 72 Ca -0.03 1.78 -0.19 0.00 0.66 0.00 0.00 57.16 59.38 1du2 n GLU 72 Cb 0.38 -3.98 -0.09 0.00 0.27 0.00 0.00 31.44 28.02 1du2 n GLU 72 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1du2 h PRO 73 N 1.65 0.69 0.00 5.31 0.13 -2.07 -3.49 132.00 134.22 1du2 h PRO 73 Ca 0.00 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1du2 h PRO 73 Cb 0.29 0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1du2 h PRO 73 CO 0.09 1.27 0.00 1.63 -0.23 0.00 0.00 178.00 180.76 1du2 n LYS 74 N -3.94 0.00 -2.93 0.86 4.76 -1.26 -5.07 118.16 110.57 1du2 n LYS 74 Ca -0.10 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.23 1du2 n LYS 74 Cb 0.80 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 34.01 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1du2 n LEU 75 N 0.00 -7.29 0.00 -0.35 -0.00 -1.26 -5.31 117.00 102.79 1du2 n LEU 75 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.45 1du2 n LEU 75 Cb 0.00 -3.19 0.00 0.00 -0.00 0.00 0.00 43.42 40.23 1du2 n LEU 75 CO 0.00 -2.06 0.00 1.17 -0.00 0.00 0.00 177.39 176.50