#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 4.03 4.32 -1.26 -5.12 117.00 118.97 1du2 n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1du2 n LEU 2 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1du2 n LEU 2 CO 0.00 0.00 0.00 1.17 -1.22 0.00 0.00 177.39 177.34 1du2 n LYS 3 N -0.43 0.00 0.00 3.23 4.81 -1.26 -5.17 118.16 119.35 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 -1.11 0.00 0.00 3.14 5.15 -1.26 -5.09 115.26 116.10 1du2 n ASN 4 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 1du2 n ASN 4 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1du2 n ASN 4 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1du2 n LEU 5 N 0.00 1.25 -3.56 1.20 -0.00 -1.26 -5.06 117.00 109.57 1du2 n LEU 5 Ca 0.00 0.18 -0.37 0.00 -0.00 0.00 0.00 56.01 55.82 1du2 n LEU 5 Cb 0.00 -0.43 0.03 0.00 -0.00 0.00 0.00 43.42 43.03 1du2 n LEU 5 CO 0.00 -0.52 -0.27 0.00 -0.00 0.00 0.00 177.39 176.60 1du2 n ALA 6 N -3.72 -2.38 0.07 1.47 0.00 -1.26 -4.85 120.51 109.85 1du2 n ALA 6 Ca -0.06 0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1du2 n ALA 6 Cb 0.21 -1.98 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.69 0.30 -5.50 0.00 2.10 -2.08 -3.49 116.57 109.58 1du2 h LYS 7 Ca -0.59 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 57.77 1du2 h LYS 7 Cb 1.41 0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 32.78 1du2 h LYS 7 CO 0.25 0.98 -1.02 1.28 -2.00 0.00 0.00 179.45 178.95 1du2 n LEU 8 N -3.73 -5.99 0.00 7.07 4.77 -1.26 -4.99 117.00 112.86 1du2 n LEU 8 Ca -0.04 1.48 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1du2 n LEU 8 Cb 0.78 -2.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.19 1du2 n LEU 8 CO 0.48 -3.14 0.00 -0.90 -1.33 0.00 0.00 177.39 172.51 1du2 n ASP 9 N 1.50 0.00 0.02 -1.43 5.68 -1.26 -5.04 116.55 116.03 1du2 n ASP 9 Ca -0.15 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.25 1du2 n ASP 9 Cb 0.31 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.18 1du2 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1du2 n GLN 10 N 0.00 0.56 0.17 0.11 10.64 -1.26 -3.86 117.38 123.74 1du2 n GLN 10 Ca 0.00 -0.10 -0.08 0.00 -1.83 0.00 0.00 57.00 54.99 1du2 n GLN 10 Cb 0.00 -1.59 -0.04 0.00 -0.86 0.00 0.00 30.24 27.76 1du2 n GLN 10 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1du2 h THR 11 N 0.00 0.00 -0.03 -0.39 2.02 -1.96 -2.91 112.91 109.64 1du2 h THR 11 Ca 0.00 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1du2 h THR 11 Cb 0.93 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1du2 h THR 11 CO 0.00 0.00 0.06 -0.08 0.37 0.00 0.00 175.52 175.87 1du2 h GLU 12 N -0.89 0.00 -0.28 6.66 4.81 -1.98 0.05 114.58 122.94 1du2 h GLU 12 Ca -0.05 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1du2 h GLU 12 Cb 0.38 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1du2 h GLU 12 CO 0.08 0.00 -0.27 1.98 -0.73 0.00 0.00 179.01 180.08 1du2 h MET 13 N 0.00 0.56 0.00 1.92 4.05 -1.65 1.13 114.93 120.94 1du2 h MET 13 Ca 0.01 -0.23 -0.10 0.00 -0.28 0.00 0.00 59.70 59.10 1du2 h MET 13 Cb 0.14 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1du2 h MET 13 CO -0.00 0.78 -0.49 0.22 0.23 0.00 0.00 176.91 177.64 1du2 h ASP 14 N 0.49 0.00 0.23 1.39 1.82 -0.78 -2.86 116.42 116.72 1du2 h ASP 14 Ca 0.07 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.36 1du2 h ASP 14 Cb 0.72 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.73 1du2 h ASP 14 CO 0.06 0.49 -1.77 0.11 -1.61 0.00 0.00 179.24 176.52 1du2 h LYS 15 N 0.00 0.33 0.00 0.28 6.56 -1.26 -3.27 116.57 119.21 1du2 h LYS 15 Ca -0.00 -0.57 0.00 0.00 -1.06 0.00 0.00 60.65 59.02 1du2 h LYS 15 Cb 1.01 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1du2 h LYS 15 CO 0.06 1.24 0.03 0.28 -2.06 0.00 0.00 179.45 179.00 1du2 h VAL 16 N 0.09 0.00 0.16 0.50 2.07 0.14 -1.66 116.25 117.55 1du2 h VAL 16 Ca -0.34 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1du2 h VAL 16 Cb 2.07 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1du2 h VAL 16 CO 0.15 0.00 -0.08 -1.13 0.02 0.00 0.00 177.57 176.54 1du2 h ASN 17 N 0.00 -0.18 -0.01 0.57 -1.24 -1.55 -3.21 115.58 109.95 1du2 h ASN 17 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1du2 h ASN 17 Cb 0.05 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 1du2 h ASN 17 CO 0.00 0.16 0.26 0.58 -1.29 0.00 0.00 177.43 177.14 1du2 h VAL 18 N -0.79 0.02 -0.65 2.57 2.07 -1.53 -1.24 116.25 116.69 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 0.17 0.74 -0.12 0.00 -1.52 0.00 0.00 31.29 30.56 1du2 h VAL 18 CO 0.04 0.00 -0.13 -0.78 0.02 0.00 0.00 177.57 176.71 1du2 h ASP 19 N 0.00 -0.55 -0.89 0.57 3.58 -1.32 1.47 116.42 119.29 1du2 h ASP 19 Ca 0.01 0.19 0.26 0.00 0.42 0.00 0.00 57.03 57.90 1du2 h ASP 19 Cb 0.53 0.38 -0.04 0.00 1.72 0.00 0.00 39.33 41.93 1du2 h ASP 19 CO -0.00 -0.20 0.73 0.25 -2.88 0.00 0.00 179.24 177.14 1du2 h LEU 20 N 0.02 0.00 0.51 2.28 5.85 -1.37 0.19 115.31 122.80 1du2 h LEU 20 Ca 0.32 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 1du2 h LEU 20 Cb 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1du2 h LEU 20 CO -0.65 0.00 -0.25 0.00 -0.34 0.00 0.00 178.44 177.20 1du2 h ALA 21 N 1.37 -0.69 0.00 1.25 0.00 0.19 -3.46 119.26 117.92 1du2 h ALA 21 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1du2 h ALA 21 Cb 1.88 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1du2 h ALA 21 CO -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 179.25 178.44 1du2 n ALA 22 N -2.49 0.00 -1.17 0.00 0.00 0.68 -4.93 120.51 112.61 1du2 n ALA 22 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1du2 n ALA 22 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 -2.07 -1.05 0.00 0.00 -1.26 -5.05 120.51 111.07 1du2 n ALA 23 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1du2 n ALA 23 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.87 0.14 0.22 0.00 0.00 -1.26 -5.01 105.19 96.42 1du2 n GLY 24 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.60 1.02 -0.58 1.61 0.31 -1.26 -4.44 118.33 114.38 1du2 n VAL 25 Ca 0.00 -0.34 0.45 0.00 -0.01 0.00 0.00 64.34 64.44 1du2 n VAL 25 Cb 0.00 -1.37 0.71 0.00 -0.91 0.00 0.00 33.84 32.27 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 -3.34 1.58 -2.37 3.52 0.00 -1.26 -4.04 120.51 114.59 1du2 n ALA 26 Ca -0.34 0.66 -0.19 0.00 0.00 0.00 0.00 53.44 53.58 1du2 n ALA 26 Cb 0.80 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 1du2 n ALA 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1du2 s PHE 27 N -4.82 1.72 0.00 0.00 5.36 -1.26 -4.21 117.98 114.77 1du2 s PHE 27 Ca -0.05 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 54.84 1du2 s PHE 27 Cb 0.26 -1.07 0.00 0.00 -0.34 0.00 0.00 43.02 41.87 1du2 s PHE 27 CO 0.79 -0.17 0.00 1.17 -1.46 0.00 0.00 175.22 175.55 1du2 n LYS 28 N -0.56 -0.07 0.00 10.12 4.81 -1.26 -4.56 118.16 126.64 1du2 n LYS 28 Ca -0.01 0.02 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1du2 n LYS 28 Cb 0.66 -3.03 0.24 0.00 0.02 0.00 0.00 35.03 32.93 1du2 n LYS 28 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1du2 n GLU 29 N -2.02 0.19 0.15 1.64 0.28 -1.26 -2.49 120.64 117.14 1du2 n GLU 29 Ca 0.00 0.13 0.10 0.00 -0.16 0.00 0.00 57.16 57.22 1du2 n GLU 29 Cb 0.02 -1.50 0.52 0.00 1.43 0.00 0.00 31.44 31.90 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1du2 n ARG 30 N -1.18 0.12 -0.29 3.44 3.00 -1.26 0.24 116.66 120.73 1du2 n ARG 30 Ca 0.05 0.62 0.06 0.00 -0.00 0.00 0.00 57.85 58.58 1du2 n ARG 30 Cb 0.06 -1.94 0.20 0.00 0.00 0.00 0.00 32.46 30.77 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 -2.17 0.72 -2.77 -0.14 0.18 -1.04 -4.92 117.16 107.02 1du2 n TYR 31 Ca -0.01 -0.32 -0.05 0.00 1.88 0.00 0.00 57.90 59.40 1du2 n TYR 31 Cb 0.07 -0.08 0.03 0.00 -0.38 0.00 0.00 39.34 38.98 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 0.66 -6.04 -4.69 9.48 5.15 0.14 -4.95 115.26 115.00 1du2 n ASN 32 Ca 0.15 -0.29 -0.42 0.00 -0.60 0.00 0.00 54.58 53.42 1du2 n ASN 32 Cb 0.46 -4.22 -0.03 0.00 -0.53 0.00 0.00 39.78 35.46 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 -3.51 4.43 1.08 1.20 0.23 -1.20 -5.04 119.30 116.49 1du2 s MET 33 Ca 0.17 1.52 -0.17 0.00 -1.03 0.00 0.00 55.69 56.17 1du2 s MET 33 Cb -0.02 -3.51 0.24 0.00 -1.53 0.00 0.00 34.83 30.01 1du2 s MET 33 CO 0.57 -0.30 1.22 -1.25 -2.03 0.00 0.00 175.02 173.23 1du2 s PRO 34 N 1.78 -0.25 -0.34 3.16 0.04 -1.26 -4.81 135.00 133.32 1du2 s PRO 34 Ca 0.52 -0.23 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 1du2 s PRO 34 Cb -0.22 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1du2 s PRO 34 CO 0.22 -3.04 1.61 0.28 0.04 0.00 0.00 177.00 176.11 1du2 n VAL 35 N -4.25 1.27 -3.75 -0.36 0.31 -1.26 -4.66 118.33 105.63 1du2 n VAL 35 Ca 0.14 -0.72 -0.10 0.00 -0.01 0.00 0.00 64.34 63.65 1du2 n VAL 35 Cb 0.59 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.67 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 3.43 0.10 -0.10 2.52 1.01 -1.26 -5.06 121.20 121.85 1du2 s ILE 36 Ca 0.23 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1du2 s ILE 36 Cb 0.08 -1.22 -0.08 0.00 0.01 0.00 0.00 42.46 41.24 1du2 s ILE 36 CO -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 174.94 174.41 1du2 n ALA 37 N -0.07 1.78 0.35 9.38 0.00 -1.26 -4.35 120.51 126.33 1du2 n ALA 37 Ca -0.16 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 52.83 1du2 n ALA 37 Cb 0.63 0.18 0.20 0.00 0.00 0.00 0.00 19.45 20.46 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 -2.60 0.03 0.00 0.00 2.13 -1.26 -0.30 120.64 118.64 1du2 n GLU 38 Ca -0.17 0.31 0.08 0.00 0.66 0.00 0.00 57.16 58.04 1du2 n GLU 38 Cb 0.73 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.99 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 -1.45 2.71 0.08 4.31 0.00 -1.26 -3.08 120.51 121.82 1du2 n ALA 39 Ca 0.03 -0.60 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 1du2 n ALA 39 Cb 0.10 -0.58 -0.15 0.00 0.00 0.00 0.00 19.45 18.83 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 2.84 1.12 0.00 0.00 2.07 -0.85 -2.85 116.25 118.58 1du2 h VAL 40 Ca 0.00 -2.72 -0.35 0.00 0.82 0.00 0.00 66.70 64.44 1du2 h VAL 40 Cb 0.66 2.79 -0.06 0.00 -1.52 0.00 0.00 31.29 33.16 1du2 h VAL 40 CO 0.00 0.83 -2.24 -0.62 0.02 0.00 0.00 177.57 175.56 1du2 n GLU 41 N -3.52 0.68 0.21 1.57 1.02 -1.20 -4.00 120.64 115.39 1du2 n GLU 41 Ca -0.18 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1du2 n GLU 41 Cb 1.06 -1.59 0.38 0.00 -0.02 0.00 0.00 31.44 31.27 1du2 n GLU 41 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1du2 h ARG 42 N 0.00 0.00 0.00 3.49 2.43 -1.70 -3.37 114.38 115.23 1du2 h ARG 42 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1du2 h ARG 42 Cb 2.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 1du2 h ARG 42 CO 0.03 0.28 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 1du2 n GLU 43 N -3.40 0.00 -3.52 0.20 -0.58 -1.07 -5.01 120.64 107.27 1du2 n GLU 43 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1du2 n GLU 43 Cb 0.48 -0.58 -0.04 0.00 -0.57 0.00 0.00 31.44 30.73 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 -0.27 0.42 -1.23 3.49 0.74 -1.26 -5.08 119.66 116.47 1du2 s GLN 44 Ca 0.00 1.03 -0.20 0.00 0.05 0.00 0.00 55.36 56.24 1du2 s GLN 44 Cb 0.00 0.59 -0.01 0.00 1.10 0.00 0.00 33.01 34.69 1du2 s GLN 44 CO 0.00 -0.14 1.86 -0.35 -0.55 0.00 0.00 175.29 176.11 1du2 n PRO 45 N 5.09 2.40 -0.27 1.67 -0.04 -1.26 -4.78 135.00 137.82 1du2 n PRO 45 Ca -0.11 -2.83 0.23 0.00 -0.04 0.00 0.00 63.50 60.76 1du2 n PRO 45 Cb 0.51 -3.57 0.40 0.00 -0.04 0.00 0.00 33.50 30.81 1du2 n PRO 45 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1du2 n GLU 46 N 8.17 -0.02 0.07 0.54 0.00 -1.26 0.54 120.64 128.67 1du2 n GLU 46 Ca 0.47 0.77 0.04 0.00 0.00 0.00 0.00 57.16 58.44 1du2 n GLU 46 Cb 0.46 -1.49 0.20 0.00 0.00 0.00 0.00 31.44 30.61 1du2 n GLU 46 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1du2 n HIS 47 N -3.98 0.25 -0.00 4.31 1.44 -1.26 -0.03 115.22 115.95 1du2 n HIS 47 Ca 0.24 0.13 -0.20 0.00 -2.01 0.00 0.00 57.72 55.89 1du2 n HIS 47 Cb 0.91 -0.59 -0.14 0.00 0.12 0.00 0.00 29.99 30.29 1du2 n HIS 47 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1du2 h LEU 48 N 0.00 0.31 -1.29 2.39 -0.00 1.31 -2.11 115.31 115.91 1du2 h LEU 48 Ca 0.00 -0.89 0.24 0.00 -0.00 0.00 0.00 57.88 57.23 1du2 h LEU 48 Cb 0.30 -0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 40.76 1du2 h LEU 48 CO 0.00 1.40 0.64 0.08 -0.00 0.00 0.00 178.44 180.56 1du2 h ARG 49 N -0.53 0.47 0.09 1.13 0.11 -0.56 2.11 114.38 117.20 1du2 h ARG 49 Ca -0.19 -0.03 -0.28 0.00 0.10 0.00 0.00 59.98 59.58 1du2 h ARG 49 Cb 1.53 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.49 1du2 h ARG 49 CO 0.06 0.31 -1.39 0.77 0.10 0.00 0.00 179.97 179.82 1du2 h SER 50 N 0.49 0.28 0.93 0.08 0.02 -1.62 -0.12 113.55 113.61 1du2 h SER 50 Ca 0.57 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1du2 h SER 50 Cb 1.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1du2 h SER 50 CO -0.30 1.30 0.00 0.79 -1.14 0.00 0.00 176.83 177.48 1du2 n TRP 51 N -3.41 0.22 -0.12 3.45 5.03 0.90 0.20 117.44 123.70 1du2 n TRP 51 Ca -0.12 0.07 -0.17 0.00 3.03 0.00 0.00 57.50 60.31 1du2 n TRP 51 Cb 1.02 -0.61 -0.12 0.00 -1.03 0.00 0.00 31.31 30.57 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 -1.68 0.00 0.90 -5.99 3.72 0.68 -4.43 117.46 110.65 1du2 n PHE 52 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 1du2 n PHE 52 Cb 0.30 -0.97 0.10 0.00 -0.94 0.00 0.00 39.48 37.97 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 -3.20 2.11 0.00 -1.08 0.63 -0.06 -4.73 116.66 110.32 1du2 n ARG 53 Ca -0.44 -1.85 0.00 0.00 -0.92 0.00 0.00 57.85 54.64 1du2 n ARG 53 Cb 0.99 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 32.47 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 1.26 0.00 -2.21 -0.14 0.28 0.53 -4.46 120.64 115.90 1du2 n GLU 54 Ca 0.13 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1du2 n GLU 54 Cb 0.56 -0.60 0.00 0.00 1.43 0.00 0.00 31.44 32.83 1du2 n GLU 54 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1du2 n ARG 55 N -0.54 -2.62 -2.11 3.44 0.63 -1.26 0.18 116.66 114.37 1du2 n ARG 55 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1du2 n ARG 55 Cb 0.00 -4.38 0.01 0.00 0.45 0.00 0.00 32.46 28.55 1du2 n ARG 55 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1du2 n LEU 56 N -2.21 -2.41 -0.03 6.15 -0.00 -1.26 -4.98 117.00 112.25 1du2 n LEU 56 Ca 0.00 -0.11 0.01 0.00 -0.00 0.00 0.00 56.01 55.91 1du2 n LEU 56 Cb 0.41 -0.94 -0.10 0.00 -0.00 0.00 0.00 43.42 42.78 1du2 n LEU 56 CO 0.00 0.05 -0.77 0.00 -0.00 0.00 0.00 177.39 176.67 1du2 n ILE 57 N -1.60 0.40 -1.33 1.96 3.06 0.47 -5.00 119.36 117.32 1du2 n ILE 57 Ca -0.04 -0.41 -0.35 0.00 -2.50 0.00 0.00 62.75 59.45 1du2 n ILE 57 Cb 0.53 -0.22 0.10 0.00 0.54 0.00 0.00 39.64 40.59 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 -2.20 -0.05 -2.68 1.51 0.00 -1.26 -4.98 120.51 110.85 1du2 n ALA 58 Ca -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 1du2 n ALA 58 Cb 0.61 -2.17 0.08 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.64 -1.15 -1.25 0.00 -0.00 -1.26 -5.13 115.22 103.79 1du2 n HIS 59 Ca 0.13 -0.96 0.00 0.00 -0.00 0.00 0.00 57.72 56.89 1du2 n HIS 59 Cb 0.50 1.22 0.00 0.00 -0.00 0.00 0.00 29.99 31.70 1du2 n HIS 59 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1du2 n ARG 60 N 1.36 -3.57 -3.65 1.57 5.12 -1.26 -5.05 116.66 111.18 1du2 n ARG 60 Ca 0.02 2.65 -0.03 0.00 -1.93 0.00 0.00 57.85 58.57 1du2 n ARG 60 Cb 0.70 -2.98 -0.05 0.00 -1.16 0.00 0.00 32.46 28.97 1du2 n ARG 60 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1du2 s LEU 61 N -2.97 -1.06 -0.33 0.55 1.98 -1.26 -5.12 118.68 110.48 1du2 s LEU 61 Ca 0.00 1.50 0.01 0.00 -2.89 0.00 0.00 54.13 52.75 1du2 s LEU 61 Cb 0.00 2.20 0.19 0.00 0.66 0.00 0.00 46.19 49.24 1du2 s LEU 61 CO 0.00 -0.22 0.74 0.00 -1.89 0.00 0.00 176.35 174.98 1du2 s ALA 62 N 2.71 -2.95 0.00 5.97 0.00 -1.26 -4.89 121.76 121.33 1du2 s ALA 62 Ca -0.06 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1du2 s ALA 62 Cb -0.11 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1du2 s ALA 62 CO -0.18 -2.06 0.00 0.43 0.00 0.00 0.00 175.76 173.95 1du2 n SER 63 N 4.91 0.00 0.00 0.00 7.64 -1.23 -4.93 113.62 120.01 1du2 n SER 63 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1du2 n SER 63 Cb 0.57 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1du2 n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1du2 n VAL 64 N -1.59 0.00 -0.07 0.44 0.31 -1.26 -4.26 118.33 111.90 1du2 n VAL 64 Ca 0.00 0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 64.70 1du2 n VAL 64 Cb 0.00 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 31.82 1du2 n VAL 64 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1du2 h ASN 65 N 0.00 0.00 0.00 4.52 -1.07 -1.97 -3.50 115.58 113.56 1du2 h ASN 65 Ca 0.00 -0.53 0.00 0.00 0.07 0.00 0.00 56.30 55.84 1du2 h ASN 65 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1du2 h ASN 65 CO 0.00 0.99 0.00 -0.11 0.07 0.00 0.00 177.43 178.38 1du2 n LEU 66 N -4.60 0.00 -2.39 6.14 7.94 -1.26 -5.12 117.00 117.72 1du2 n LEU 66 Ca -0.13 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.75 1du2 n LEU 66 Cb 0.40 0.04 -0.01 0.00 0.53 0.00 0.00 43.42 44.38 1du2 n LEU 66 CO 0.20 -0.04 -0.42 -1.20 -1.11 0.00 0.00 177.39 174.82 1du2 n SER 67 N -1.09 -4.53 -4.15 1.96 7.64 -1.26 -3.47 113.62 108.72 1du2 n SER 67 Ca 0.00 1.07 -0.26 0.00 1.01 0.00 0.00 58.87 60.68 1du2 n SER 67 Cb 0.00 -4.27 -0.08 0.00 -1.01 0.00 0.00 64.21 58.85 1du2 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1du2 s ARG 68 N -1.07 1.97 0.15 1.43 1.70 -1.26 -4.75 118.95 117.11 1du2 s ARG 68 Ca -0.08 -2.21 0.03 0.00 -0.47 0.00 0.00 55.73 53.01 1du2 s ARG 68 Cb 0.01 -0.67 -0.04 0.00 -0.57 0.00 0.00 34.95 33.67 1du2 s ARG 68 CO 0.60 -0.48 -0.07 -0.48 -1.08 0.00 0.00 175.30 173.78 1du2 s LEU 69 N -3.64 2.45 0.41 -1.89 2.34 -1.26 -5.14 118.68 111.95 1du2 s LEU 69 Ca 0.22 -1.05 -0.24 0.00 0.06 0.00 0.00 54.13 53.12 1du2 s LEU 69 Cb 0.02 -0.24 -0.09 0.00 -0.56 0.00 0.00 46.19 45.32 1du2 s LEU 69 CO 0.14 -0.41 1.05 -2.16 -1.06 0.00 0.00 176.35 173.91 1du2 s PRO 70 N -3.80 4.12 0.45 1.48 0.04 -1.26 -5.06 135.00 130.98 1du2 s PRO 70 Ca 0.17 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1du2 s PRO 70 Cb 0.04 -2.51 0.02 0.00 0.04 0.00 0.00 34.50 32.09 1du2 s PRO 70 CO 0.00 -0.18 0.57 -0.47 0.04 0.00 0.00 177.00 176.97 1du2 s TYR 71 N -1.67 2.49 -0.25 0.56 5.04 -1.26 -5.01 117.35 117.25 1du2 s TYR 71 Ca 0.59 -0.49 -0.36 0.00 -2.44 0.00 0.00 57.07 54.37 1du2 s TYR 71 Cb -0.22 -2.29 -0.12 0.00 0.35 0.00 0.00 41.96 39.68 1du2 s TYR 71 CO 0.27 -0.50 2.01 -1.91 -1.34 0.00 0.00 175.55 174.08 1du2 n GLU 72 N -1.86 1.45 -0.02 4.97 4.07 -1.26 -4.84 120.64 123.15 1du2 n GLU 72 Ca 0.08 0.48 -0.16 0.00 -0.06 0.00 0.00 57.16 57.50 1du2 n GLU 72 Cb 0.60 -2.48 -0.10 0.00 -0.06 0.00 0.00 31.44 29.40 1du2 n GLU 72 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1du2 h PRO 73 N 10.49 0.34 0.00 5.31 0.13 -2.05 -3.49 132.00 142.72 1du2 h PRO 73 Ca -0.38 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1du2 h PRO 73 Cb 1.30 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1du2 h PRO 73 CO 0.98 1.00 0.00 1.63 -0.23 0.00 0.00 178.00 181.38 1du2 n LYS 74 N -4.35 0.00 -1.09 0.86 4.76 -1.26 -5.15 118.16 111.93 1du2 n LYS 74 Ca -0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1du2 n LYS 74 Cb 0.58 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.77 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 -1.83 0.00 -0.35 0.00 -1.26 -5.28 117.00 108.28 1du2 n LEU 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1du2 n LEU 75 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 43.42 42.51 1du2 n LEU 75 CO 0.00 0.00 0.21 0.29 0.00 0.00 0.00 177.39 177.89