#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du2 s LEU 2 N 0.00 -0.37 0.02 4.03 -0.00 -1.26 -5.10 118.68 116.00 1du2 s LEU 2 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 54.13 53.98 1du2 s LEU 2 Cb 0.00 2.28 0.00 0.00 -0.00 0.00 0.00 46.19 48.47 1du2 s LEU 2 CO 0.00 -0.85 0.00 0.29 -0.00 0.00 0.00 176.35 175.79 1du2 n LYS 3 N -0.35 0.00 -2.44 1.48 4.76 -1.26 -5.14 118.16 115.21 1du2 n LYS 3 Ca -0.10 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.32 1du2 n LYS 3 Cb 0.62 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.80 1du2 n LYS 3 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1du2 n ASN 4 N -2.54 -5.91 -2.42 4.39 2.85 -1.26 -5.02 115.26 105.35 1du2 n ASN 4 Ca 0.00 1.62 -0.03 0.00 -0.11 0.00 0.00 54.58 56.06 1du2 n ASN 4 Cb 0.00 -4.83 0.04 0.00 1.24 0.00 0.00 39.78 36.23 1du2 n ASN 4 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1du2 n LEU 5 N 1.86 -1.10 -3.14 1.20 4.77 -1.26 -5.04 117.00 114.29 1du2 n LEU 5 Ca -0.14 -2.19 -0.21 0.00 -0.03 0.00 0.00 56.01 53.45 1du2 n LEU 5 Cb 0.21 0.60 0.02 0.00 -2.33 0.00 0.00 43.42 41.92 1du2 n LEU 5 CO 0.13 1.35 -0.08 0.00 -1.33 0.00 0.00 177.39 177.46 1du2 n ALA 6 N -0.59 -2.71 0.06 -1.18 0.00 -1.26 -4.92 120.51 109.92 1du2 n ALA 6 Ca -0.15 0.81 -0.21 0.00 0.00 0.00 0.00 53.44 53.89 1du2 n ALA 6 Cb 0.69 -3.11 -0.12 0.00 0.00 0.00 0.00 19.45 16.91 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 2.00 0.56 -6.70 0.00 2.10 -2.00 -3.49 116.57 109.04 1du2 h LYS 7 Ca -0.24 -0.72 -0.46 0.00 -2.00 0.00 0.00 60.65 57.23 1du2 h LYS 7 Cb 1.18 0.23 0.01 0.00 -0.90 0.00 0.00 32.23 32.74 1du2 h LYS 7 CO 0.22 1.31 -1.15 1.28 -2.00 0.00 0.00 179.45 179.11 1du2 n LEU 8 N -3.92 -2.05 -2.99 7.07 4.77 -1.26 -2.53 117.00 116.08 1du2 n LEU 8 Ca -0.13 -0.72 -0.13 0.00 -0.03 0.00 0.00 56.01 55.00 1du2 n LEU 8 Cb 0.89 -1.61 0.06 0.00 -2.33 0.00 0.00 43.42 40.44 1du2 n LEU 8 CO 0.55 0.27 0.04 0.47 -1.33 0.00 0.00 177.39 177.38 1du2 n ASP 9 N -1.85 -5.19 -0.32 -1.43 9.92 -1.26 -4.93 116.55 111.49 1du2 n ASP 9 Ca -0.25 -0.58 0.08 0.00 -0.53 0.00 0.00 54.79 53.51 1du2 n ASP 9 Cb 0.69 -4.46 -0.02 0.00 -0.64 0.00 0.00 41.12 36.69 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 -3.09 1.66 0.04 -1.24 7.27 -1.05 -4.47 117.38 116.51 1du2 n GLN 10 Ca -0.09 -0.69 -0.12 0.00 0.07 0.00 0.00 57.00 56.16 1du2 n GLN 10 Cb 0.61 -1.28 -0.07 0.00 2.41 0.00 0.00 30.24 31.90 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 1.55 1.02 0.00 1.69 2.02 -1.92 -1.42 112.91 115.85 1du2 h THR 11 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1du2 h THR 11 Cb 0.53 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1du2 h THR 11 CO 0.00 0.02 0.00 -0.08 0.37 0.00 0.00 175.52 175.83 1du2 h GLU 12 N -0.06 0.00 -0.14 6.66 4.81 -1.97 -2.59 114.58 121.29 1du2 h GLU 12 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1du2 h GLU 12 Cb 0.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1du2 h GLU 12 CO 0.00 0.00 -0.64 0.52 -0.73 0.00 0.00 179.01 178.16 1du2 h MET 13 N 0.00 0.53 -0.01 1.92 2.86 -1.50 0.39 114.93 119.12 1du2 h MET 13 Ca 0.00 -0.38 -0.10 0.00 -2.06 0.00 0.00 59.70 57.16 1du2 h MET 13 Cb 0.40 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1du2 h MET 13 CO 0.00 1.00 -0.46 0.22 1.06 0.00 0.00 176.91 178.73 1du2 h ASP 14 N 0.39 0.01 0.37 1.22 3.58 -1.02 -2.40 116.42 118.58 1du2 h ASP 14 Ca -0.01 -0.01 -0.32 0.00 0.42 0.00 0.00 57.03 57.11 1du2 h ASP 14 Cb 1.21 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1du2 h ASP 14 CO 0.12 0.47 -1.58 0.11 -2.88 0.00 0.00 179.24 175.48 1du2 h LYS 15 N 0.01 0.31 0.00 0.28 6.56 -1.50 -3.14 116.57 119.10 1du2 h LYS 15 Ca -0.00 -0.54 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1du2 h LYS 15 Cb 0.82 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1du2 h LYS 15 CO 0.06 1.20 0.00 0.28 -2.06 0.00 0.00 179.45 178.93 1du2 n VAL 16 N -3.51 1.27 -0.04 0.50 0.31 0.13 -1.02 118.33 115.97 1du2 n VAL 16 Ca -0.18 0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 64.59 1du2 n VAL 16 Cb 1.06 -1.40 -0.01 0.00 -0.91 0.00 0.00 33.84 32.58 1du2 n VAL 16 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1du2 h ASN 17 N 0.00 0.00 0.00 4.52 -1.24 -1.43 -3.35 115.58 114.08 1du2 h ASN 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1du2 h ASN 17 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1du2 h ASN 17 CO 0.00 0.42 0.27 0.58 -1.29 0.00 0.00 177.43 177.41 1du2 h VAL 18 N -0.62 0.00 -0.14 2.57 2.07 -1.47 0.40 116.25 119.06 1du2 h VAL 18 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1du2 h VAL 18 Cb 0.21 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1du2 h VAL 18 CO 0.00 0.00 0.16 -0.78 0.02 0.00 0.00 177.57 176.97 1du2 h ASP 19 N 0.00 0.00 1.29 0.57 3.58 -1.21 0.72 116.42 121.37 1du2 h ASP 19 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1du2 h ASP 19 Cb 0.54 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1du2 h ASP 19 CO 0.00 0.00 -0.71 -0.07 -2.88 0.00 0.00 179.24 175.58 1du2 h LEU 20 N 0.00 0.00 0.13 2.28 3.38 -0.38 -3.38 115.31 117.35 1du2 h LEU 20 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1du2 h LEU 20 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1du2 h LEU 20 CO -0.00 0.03 -0.06 0.00 0.09 0.00 0.00 178.44 178.49 1du2 h ALA 21 N 1.97 -0.86 -2.93 1.53 0.00 0.39 -3.48 119.26 115.88 1du2 h ALA 21 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1du2 h ALA 21 Cb 1.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1du2 h ALA 21 CO 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.41 1du2 n ALA 22 N -2.11 0.00 -3.00 0.00 0.00 -1.06 -4.95 120.51 109.38 1du2 n ALA 22 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1du2 n ALA 22 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.00 0.00 -2.54 0.00 0.00 -1.26 -4.61 120.51 109.10 1du2 n ALA 23 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 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 3.59 5.11 0.00 0.00 0.00 -1.26 -4.60 105.19 108.03 1du2 n GLY 24 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.38 0.00 0.17 1.61 0.31 -1.26 -4.12 118.33 114.65 1du2 n VAL 25 Ca 0.33 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.83 1du2 n VAL 25 Cb 0.68 -0.47 0.66 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.01 1.91 0.78 3.52 0.00 -1.97 -0.22 119.26 123.29 1du2 h ALA 26 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1du2 h ALA 26 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1du2 h ALA 26 CO 0.00 -0.70 -0.37 0.74 0.00 0.00 0.00 179.25 178.92 1du2 h PHE 27 N 0.00 -0.97 -0.22 0.00 -1.00 -1.85 -3.21 116.94 109.69 1du2 h PHE 27 Ca 0.14 -0.02 0.26 0.00 2.81 0.00 0.00 57.97 61.16 1du2 h PHE 27 Cb 1.23 0.32 -0.22 0.00 3.61 0.00 0.00 35.95 40.90 1du2 h PHE 27 CO 0.00 -0.59 0.25 0.21 -1.61 0.00 0.00 178.31 176.57 1du2 s LYS 28 N -5.59 0.11 0.32 1.51 2.20 -0.10 -2.39 119.74 115.80 1du2 s LYS 28 Ca -0.17 0.21 0.25 0.00 -0.36 0.00 0.00 55.97 55.89 1du2 s LYS 28 Cb 0.02 0.12 1.06 0.00 -1.51 0.00 0.00 37.83 37.52 1du2 s LYS 28 CO 0.56 -0.11 1.07 -0.85 -0.36 0.00 0.00 175.35 175.66 1du2 n GLU 29 N 5.37 -0.02 0.00 4.03 -0.00 -1.22 -4.61 120.64 124.18 1du2 n GLU 29 Ca -0.08 0.84 0.00 0.00 -0.00 0.00 0.00 57.16 57.92 1du2 n GLU 29 Cb 0.54 -1.70 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 1du2 n GLU 29 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 30 N -3.92 0.00 -0.41 3.44 3.00 -1.26 -3.20 116.66 114.30 1du2 n ARG 30 Ca 0.28 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.20 1du2 n ARG 30 Cb 1.14 0.00 0.19 0.00 0.00 0.00 0.00 32.46 33.78 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 0.10 -2.94 -0.14 4.11 -1.26 -4.98 117.16 112.05 1du2 n TYR 31 Ca 0.00 -1.30 -0.09 0.00 -0.00 0.00 0.00 57.90 56.51 1du2 n TYR 31 Cb 0.00 -0.23 0.04 0.00 -0.00 0.00 0.00 39.34 39.15 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 -1.22 -6.26 -4.77 9.48 5.15 -1.19 -4.97 115.26 111.48 1du2 n ASN 32 Ca 0.19 -0.45 -0.38 0.00 -0.60 0.00 0.00 54.58 53.34 1du2 n ASN 32 Cb 0.70 -4.57 -0.05 0.00 -0.53 0.00 0.00 39.78 35.33 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 -3.84 4.52 0.66 1.20 0.23 -1.24 -5.05 119.30 115.78 1du2 s MET 33 Ca 0.28 1.55 -0.11 0.00 -1.03 0.00 0.00 55.69 56.38 1du2 s MET 33 Cb -0.04 -2.92 0.16 0.00 -1.53 0.00 0.00 34.83 30.50 1du2 s MET 33 CO 0.63 0.17 0.73 -0.35 -2.03 0.00 0.00 175.02 174.18 1du2 n PRO 34 N 0.71 -1.52 -0.42 3.16 -0.04 -1.26 -4.79 135.00 130.84 1du2 n PRO 34 Ca 0.01 -1.15 -0.11 0.00 -0.04 0.00 0.00 63.50 62.21 1du2 n PRO 34 Cb 0.48 -0.91 -0.02 0.00 -0.04 0.00 0.00 33.50 33.01 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 -3.51 1.35 -3.79 0.52 0.31 -1.26 -4.67 118.33 107.29 1du2 n VAL 35 Ca 0.10 -0.78 -0.11 0.00 -0.01 0.00 0.00 64.34 63.53 1du2 n VAL 35 Cb 0.35 -1.83 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 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 3.63 0.09 -0.07 2.52 1.01 -1.26 -5.05 121.20 122.06 1du2 s ILE 36 Ca 0.23 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1du2 s ILE 36 Cb 0.07 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 1du2 s ILE 36 CO -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 174.94 174.53 1du2 n ALA 37 N 0.63 1.83 0.34 9.38 0.00 -1.26 -4.25 120.51 127.18 1du2 n ALA 37 Ca -0.19 -0.45 0.09 0.00 0.00 0.00 0.00 53.44 52.90 1du2 n ALA 37 Cb 0.59 0.12 0.42 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.30 0.12 -0.02 0.00 4.07 -1.26 -1.30 120.64 119.95 1du2 n GLU 38 Ca -0.12 0.43 0.05 0.00 -0.06 0.00 0.00 57.16 57.47 1du2 n GLU 38 Cb 0.72 -1.76 -0.15 0.00 -0.06 0.00 0.00 31.44 30.19 1du2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1du2 n ALA 39 N -1.68 2.43 0.10 4.31 0.00 -1.26 -3.00 120.51 121.42 1du2 n ALA 39 Ca 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.75 1du2 n ALA 39 Cb 0.16 -0.65 0.25 0.00 0.00 0.00 0.00 19.45 19.20 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 0.12 0.00 2.07 -1.37 0.13 116.25 118.50 1du2 h VAL 40 Ca -0.14 -1.44 -0.35 0.00 0.82 0.00 0.00 66.70 65.59 1du2 h VAL 40 Cb 1.33 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1du2 h VAL 40 CO 0.01 0.43 -1.90 -0.08 0.02 0.00 0.00 177.57 176.04 1du2 h GLU 41 N 0.18 0.26 -0.07 1.57 4.57 -1.67 -0.53 114.58 118.90 1du2 h GLU 41 Ca 0.02 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.70 1du2 h GLU 41 Cb 0.76 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1du2 h GLU 41 CO 0.06 1.15 -0.25 -0.09 -1.18 0.00 0.00 179.01 178.70 1du2 h ARG 42 N 0.07 0.11 0.00 1.92 2.43 -1.47 -3.37 114.38 114.08 1du2 h ARG 42 Ca -0.39 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1du2 h ARG 42 Cb 2.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1du2 h ARG 42 CO 0.11 0.36 0.00 0.39 -1.51 0.00 0.00 179.97 179.32 1du2 n GLU 43 N -4.20 0.00 -3.28 0.20 -0.58 0.45 -4.99 120.64 108.23 1du2 n GLU 43 Ca -0.02 0.05 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 1du2 n GLU 43 Cb 0.33 -0.38 -0.05 0.00 -0.57 0.00 0.00 31.44 30.77 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 -0.19 0.49 0.09 3.49 0.74 -0.94 -5.07 119.66 118.27 1du2 s GLN 44 Ca 0.00 0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.14 1du2 s GLN 44 Cb 0.00 -0.25 -0.06 0.00 1.10 0.00 0.00 33.01 33.80 1du2 s GLN 44 CO 0.00 -1.07 1.15 -1.25 -0.55 0.00 0.00 175.29 173.57 1du2 s PRO 45 N 2.40 4.49 0.08 1.67 0.04 -0.25 -4.71 135.00 138.72 1du2 s PRO 45 Ca 0.11 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.55 1du2 s PRO 45 Cb -0.12 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 30.91 1du2 s PRO 45 CO -0.25 -0.14 1.63 1.49 0.04 0.00 0.00 177.00 179.77 1du2 h GLU 46 N 6.29 -0.78 -0.90 4.56 4.81 -1.82 -2.57 114.58 124.17 1du2 h GLU 46 Ca -0.42 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.08 1du2 h GLU 46 Cb 1.21 0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.61 1du2 h GLU 46 CO 0.78 -0.52 -0.02 1.12 -0.73 0.00 0.00 179.01 179.64 1du2 h HIS 47 N -0.81 -0.12 -0.95 0.92 2.07 -1.91 2.54 115.15 116.88 1du2 h HIS 47 Ca -0.07 0.07 0.28 0.00 -2.85 0.00 0.00 60.37 57.80 1du2 h HIS 47 Cb 0.65 0.20 -0.04 0.00 2.57 0.00 0.00 27.41 30.79 1du2 h HIS 47 CO -0.07 -0.36 0.90 -0.07 -3.07 0.00 0.00 177.93 175.26 1du2 h LEU 48 N 0.05 0.00 -1.08 6.12 -0.00 -1.83 1.81 115.31 120.38 1du2 h LEU 48 Ca 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.40 1du2 h LEU 48 Cb 0.95 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 1du2 h LEU 48 CO -0.84 0.00 0.62 0.08 -0.00 0.00 0.00 178.44 178.30 1du2 h ARG 49 N 0.00 1.23 0.00 1.13 0.11 0.44 0.41 114.38 117.70 1du2 h ARG 49 Ca 0.45 -0.08 -0.25 0.00 0.10 0.00 0.00 59.98 60.21 1du2 h ARG 49 Cb 2.24 -0.28 -0.05 0.00 1.11 0.00 0.00 29.97 33.00 1du2 h ARG 49 CO -0.00 0.82 -2.08 0.43 0.10 0.00 0.00 179.97 179.23 1du2 n SER 50 N -4.39 0.91 0.26 0.08 7.64 0.45 -1.93 113.62 116.64 1du2 n SER 50 Ca 0.11 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.13 1du2 n SER 50 Cb 0.02 1.07 0.62 0.00 -1.01 0.00 0.00 64.21 64.91 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 1.78 115.95 119.38 1du2 h TRP 51 Ca -0.37 0.00 -0.22 0.00 -0.00 0.00 0.00 58.89 58.30 1du2 h TRP 51 Cb 1.81 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.93 1du2 h TRP 51 CO 0.00 0.09 -1.82 0.34 -0.00 0.00 0.00 178.44 177.06 1du2 n PHE 52 N -3.26 0.00 1.01 0.49 -0.00 0.14 -4.50 117.46 111.35 1du2 n PHE 52 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 1du2 n PHE 52 Cb 0.34 -0.56 0.30 0.00 -0.00 0.00 0.00 39.48 39.56 1du2 n PHE 52 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1du2 n ARG 53 N -2.78 2.06 -0.32 -4.13 0.63 -0.81 -4.44 116.66 106.86 1du2 n ARG 53 Ca -0.24 -1.57 0.27 0.00 -0.92 0.00 0.00 57.85 55.40 1du2 n ARG 53 Cb 0.80 -1.46 0.46 0.00 0.45 0.00 0.00 32.46 32.71 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 0.84 -0.03 -1.52 -0.14 -0.00 0.60 -3.83 120.64 116.56 1du2 n GLU 54 Ca 0.17 0.86 -0.15 0.00 -0.00 0.00 0.00 57.16 58.05 1du2 n GLU 54 Cb 0.47 -1.69 -0.11 0.00 -0.00 0.00 0.00 31.44 30.11 1du2 n GLU 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1du2 n ARG 55 N -4.07 0.34 -2.86 3.44 3.00 -1.26 -3.52 116.66 111.73 1du2 n ARG 55 Ca 0.27 -0.73 -0.01 0.00 -0.00 0.00 0.00 57.85 57.39 1du2 n ARG 55 Cb 1.06 -2.98 -0.01 0.00 0.00 0.00 0.00 32.46 30.53 1du2 n ARG 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1du2 n LEU 56 N 15.21 -6.28 -0.01 6.15 4.32 -1.25 -5.00 117.00 130.14 1du2 n LEU 56 Ca 0.49 1.27 -0.05 0.00 -0.02 0.00 0.00 56.01 57.70 1du2 n LEU 56 Cb 0.37 -2.73 -0.02 0.00 -1.62 0.00 0.00 43.42 39.43 1du2 n LEU 56 CO 0.67 -2.86 -0.50 0.00 -1.22 0.00 0.00 177.39 173.48 1du2 n ILE 57 N 1.18 0.65 -2.98 -0.08 3.06 -1.23 -5.08 119.36 114.88 1du2 n ILE 57 Ca -0.07 0.07 -0.14 0.00 -2.50 0.00 0.00 62.75 60.12 1du2 n ILE 57 Cb 0.24 -1.64 0.01 0.00 0.54 0.00 0.00 39.64 38.80 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 -3.41 -2.89 -3.77 1.51 0.00 -1.26 -5.03 120.51 105.66 1du2 n ALA 58 Ca -0.08 0.94 -0.23 0.00 0.00 0.00 0.00 53.44 54.06 1du2 n ALA 58 Cb 0.42 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.66 1du2 n ALA 58 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1du2 n HIS 59 N -0.16 -0.85 0.26 0.00 1.44 -1.26 -5.05 115.22 109.59 1du2 n HIS 59 Ca 0.07 -1.91 0.03 0.00 -2.01 0.00 0.00 57.72 53.89 1du2 n HIS 59 Cb 0.47 -0.38 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 1du2 n HIS 59 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1du2 n ARG 60 N -1.60 4.23 -2.98 -1.40 0.00 -1.26 -5.07 116.66 108.58 1du2 n ARG 60 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.85 57.83 1du2 n ARG 60 Cb 0.52 -0.85 -0.01 0.00 -0.00 0.00 0.00 32.46 32.12 1du2 n ARG 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1du2 n LEU 61 N -1.23 -5.19 0.00 2.89 7.94 -1.26 -5.02 117.00 115.13 1du2 n LEU 61 Ca 0.01 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1du2 n LEU 61 Cb 0.11 -2.21 0.00 0.00 0.53 0.00 0.00 43.42 41.85 1du2 n LEU 61 CO 0.13 -2.47 0.00 0.00 -1.11 0.00 0.00 177.39 173.94 1du2 n ALA 62 N 1.47 0.00 -1.04 1.96 0.00 -1.26 -5.10 120.51 116.54 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 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1du2 n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1du2 n SER 63 N 0.00 0.00 0.00 0.00 7.64 -1.26 -5.11 113.62 114.89 1du2 n SER 63 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1du2 n SER 63 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.73 0.00 0.09 0.44 0.31 -1.01 -4.94 118.33 112.48 1du2 n VAL 64 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1du2 n VAL 64 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.25 -5.94 4.52 -0.73 -1.69 -3.49 115.58 108.01 1du2 h ASN 65 Ca 0.00 0.01 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 1du2 h ASN 65 Cb 0.00 0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1du2 h ASN 65 CO 0.00 0.11 -0.62 -0.11 -0.37 0.00 0.00 177.43 176.44 1du2 n LEU 66 N -4.39 -4.95 -4.44 0.34 -0.00 -1.25 -5.01 117.00 97.30 1du2 n LEU 66 Ca -0.04 -0.21 -0.22 0.00 -0.00 0.00 0.00 56.01 55.55 1du2 n LEU 66 Cb 0.11 -2.58 -0.10 0.00 -0.00 0.00 0.00 43.42 40.86 1du2 n LEU 66 CO 0.09 -0.78 -0.39 -0.44 -0.00 0.00 0.00 177.39 175.87 1du2 s SER 67 N -2.66 2.97 0.30 1.96 0.01 -1.26 -5.01 113.70 110.02 1du2 s SER 67 Ca 0.12 -1.15 0.07 0.00 1.31 0.00 0.00 55.95 56.29 1du2 s SER 67 Cb -0.02 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 1du2 s SER 67 CO 0.82 -0.26 -0.05 -0.13 0.41 0.00 0.00 173.24 174.03 1du2 s ARG 68 N -3.67 1.62 0.17 12.44 0.52 -1.26 -5.02 118.95 123.75 1du2 s ARG 68 Ca 0.29 -1.84 0.09 0.00 -0.52 0.00 0.00 55.73 53.75 1du2 s ARG 68 Cb 0.02 -1.23 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 1du2 s ARG 68 CO 0.12 0.02 -0.18 -0.48 0.02 0.00 0.00 175.30 174.81 1du2 s LEU 69 N -3.49 2.45 1.05 2.53 0.05 -1.26 -5.15 118.68 114.86 1du2 s LEU 69 Ca 0.31 -0.88 -0.17 0.00 0.05 0.00 0.00 54.13 53.44 1du2 s LEU 69 Cb 0.04 -0.82 0.22 0.00 -2.05 0.00 0.00 46.19 43.59 1du2 s LEU 69 CO 0.13 -0.05 1.20 -2.16 -0.55 0.00 0.00 176.35 174.93 1du2 s PRO 70 N -2.90 -0.01 0.19 1.48 0.04 -1.26 -5.10 135.00 127.44 1du2 s PRO 70 Ca 0.17 -0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.03 1du2 s PRO 70 Cb -0.05 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1du2 s PRO 70 CO 0.07 -2.89 0.17 0.71 0.04 0.00 0.00 177.00 175.10 1du2 s TYR 71 N -3.43 0.94 -0.24 0.56 1.51 -1.26 -5.16 117.35 110.26 1du2 s TYR 71 Ca 0.71 -1.22 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1du2 s TYR 71 Cb -0.08 -0.41 0.12 0.00 -0.11 0.00 0.00 41.96 41.48 1du2 s TYR 71 CO 0.54 -0.67 0.50 -1.83 -1.11 0.00 0.00 175.55 172.98 1du2 s GLU 72 N -4.10 0.42 -0.03 -0.62 -1.05 -1.26 -5.07 118.70 106.98 1du2 s GLU 72 Ca 0.32 1.11 -0.05 0.00 -0.15 0.00 0.00 54.97 56.20 1du2 s GLU 72 Cb 0.06 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1du2 s GLU 72 CO 0.09 -0.31 0.33 -1.00 0.95 0.00 0.00 175.26 175.32 1du2 h PRO 73 N 8.11 -0.18 -3.25 -4.83 0.13 -2.08 -3.50 132.00 126.40 1du2 h PRO 73 Ca -0.17 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.31 1du2 h PRO 73 Cb 1.11 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 1du2 h PRO 73 CO 0.14 -0.12 -0.90 1.17 -0.23 0.00 0.00 178.00 178.06 1du2 n LYS 74 N -3.64 -2.95 -1.92 0.86 4.81 -1.26 -5.01 118.16 109.05 1du2 n LYS 74 Ca -0.02 2.24 -0.00 0.00 -0.87 0.00 0.00 58.31 59.66 1du2 n LYS 74 Cb 0.07 -3.55 -0.00 0.00 0.02 0.00 0.00 35.03 31.57 1du2 n LYS 74 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1du2 n LEU 75 N -4.17 -5.01 -0.84 3.14 -0.00 -1.26 -5.35 117.00 103.51 1du2 n LEU 75 Ca -0.05 1.83 0.11 0.00 -0.00 0.00 0.00 56.01 57.90 1du2 n LEU 75 Cb 0.67 -2.48 0.09 0.00 -0.00 0.00 0.00 43.42 41.70 1du2 n LEU 75 CO 0.03 -2.00 0.58 1.17 -0.00 0.00 0.00 177.39 177.18