#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du4 s VAL 2 N 0.00 4.69 0.78 2.62 -7.23 -0.94 -4.87 120.40 115.45 1du4 s VAL 2 Ca 0.00 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.05 1du4 s VAL 2 Cb 0.00 -3.41 0.06 0.00 0.56 0.00 0.00 36.38 33.59 1du4 s VAL 2 CO 0.00 -0.13 1.08 -0.94 -0.31 0.00 0.00 175.10 174.81 1du4 s SER 3 N -3.21 4.59 0.29 4.85 1.04 -1.26 -4.72 113.70 115.28 1du4 s SER 3 Ca 0.32 1.55 -0.00 0.00 0.48 0.00 0.00 55.95 58.30 1du4 s SER 3 Cb -0.10 -2.31 0.43 0.00 0.10 0.00 0.00 66.02 64.14 1du4 s SER 3 CO 0.25 -1.94 1.82 -0.61 0.98 0.00 0.00 173.24 173.74 1du4 h GLN 4 N -1.06 0.75 -0.05 4.02 5.75 -1.98 0.14 115.11 122.67 1du4 h GLN 4 Ca -0.46 -0.17 -0.20 0.00 -0.15 0.00 0.00 58.65 57.68 1du4 h GLN 4 Cb 1.24 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 1du4 h GLN 4 CO 0.56 0.72 -0.81 0.22 -2.65 0.00 0.00 178.83 176.87 1du4 h ASP 5 N 0.72 0.49 -0.24 -0.69 3.58 -1.99 -0.59 116.42 117.69 1du4 h ASP 5 Ca 0.15 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.20 1du4 h ASP 5 Cb 0.34 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1du4 h ASP 5 CO 0.01 1.11 -0.05 0.25 -2.88 0.00 0.00 179.24 177.68 1du4 h LEU 6 N 0.25 0.46 -0.39 2.28 5.85 -1.84 -1.84 115.31 120.09 1du4 h LEU 6 Ca -0.05 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1du4 h LEU 6 Cb 1.40 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 1du4 h LEU 6 CO 0.14 0.71 -0.19 0.15 -0.34 0.00 0.00 178.44 178.91 1du4 h PHE 7 N 0.20 -0.47 -0.72 1.25 3.57 -0.92 0.12 116.94 119.98 1du4 h PHE 7 Ca 0.06 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1du4 h PHE 7 Cb 0.51 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1du4 h PHE 7 CO 0.05 -0.27 0.48 -0.91 -2.23 0.00 0.00 178.31 175.43 1du4 h ASN 8 N -0.12 0.71 -0.32 0.41 2.35 -0.60 0.15 115.58 118.16 1du4 h ASN 8 Ca 0.19 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1du4 h ASN 8 Cb 0.41 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1du4 h ASN 8 CO -0.46 0.47 -0.17 1.56 -1.65 0.00 0.00 177.43 177.18 1du4 h GLN 9 N 0.81 0.68 -0.41 0.81 4.20 -0.32 -0.17 115.11 120.71 1du4 h GLN 9 Ca 0.30 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1du4 h GLN 9 Cb 0.16 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1du4 h GLN 9 CO -0.09 0.90 0.24 0.74 -0.67 0.00 0.00 178.83 179.95 1du4 h PHE 10 N 0.44 0.54 -0.73 2.96 0.04 0.16 -1.59 116.94 118.76 1du4 h PHE 10 Ca 0.07 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1du4 h PHE 10 Cb 0.70 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1du4 h PHE 10 CO 0.06 0.39 0.37 -0.97 -0.60 0.00 0.00 178.31 177.56 1du4 h ASN 11 N 0.53 0.93 -0.21 2.17 -1.24 -0.72 -2.39 115.58 114.65 1du4 h ASN 11 Ca 0.15 -0.12 -0.11 0.00 0.71 0.00 0.00 56.30 56.93 1du4 h ASN 11 Cb 0.01 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 38.82 1du4 h ASN 11 CO -0.03 0.78 -0.29 0.25 -1.29 0.00 0.00 177.43 176.86 1du4 h LEU 12 N 1.01 0.61 -0.82 0.34 5.85 -0.40 -2.61 115.31 119.29 1du4 h LEU 12 Ca 0.25 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1du4 h LEU 12 Cb 0.08 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1du4 h LEU 12 CO -0.04 1.00 0.00 -0.26 -0.34 0.00 0.00 178.44 178.81 1du4 h PHE 13 N 0.23 0.00 -0.51 1.25 0.04 -1.36 -0.57 116.94 116.02 1du4 h PHE 13 Ca 0.02 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1du4 h PHE 13 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1du4 h PHE 13 CO 0.09 0.00 0.12 0.00 -0.60 0.00 0.00 178.31 177.91 1du4 h ALA 14 N 2.21 0.68 -0.03 2.45 0.00 -1.04 0.15 119.26 123.67 1du4 h ALA 14 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1du4 h ALA 14 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1du4 h ALA 14 CO 0.00 0.38 -0.62 1.96 0.00 0.00 0.00 179.25 180.97 1du4 h GLN 15 N 0.72 0.13 -0.54 0.00 4.20 -1.28 0.25 115.11 118.59 1du4 h GLN 15 Ca 0.16 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1du4 h GLN 15 Cb 0.35 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1du4 h GLN 15 CO 0.00 0.70 -0.10 1.88 -0.67 0.00 0.00 178.83 180.65 1du4 h TYR 16 N 0.09 1.11 -0.35 2.96 0.05 -0.59 0.44 116.97 120.69 1du4 h TYR 16 Ca -0.01 -0.22 -0.05 0.00 0.05 0.00 0.00 58.73 58.50 1du4 h TYR 16 Cb 1.11 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 1du4 h TYR 16 CO 0.01 1.03 0.02 0.77 -1.05 0.00 0.00 178.16 178.94 1du4 h SER 17 N 0.89 0.59 -0.82 3.88 0.02 -0.25 -3.08 113.55 114.78 1du4 h SER 17 Ca 0.14 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1du4 h SER 17 Cb 0.65 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1du4 h SER 17 CO 0.05 0.73 0.37 0.00 -1.14 0.00 0.00 176.83 176.84 1du4 h ALA 18 N 0.88 1.10 -0.91 3.77 0.00 -0.13 -2.23 119.26 121.73 1du4 h ALA 18 Ca 0.10 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1du4 h ALA 18 Cb 0.42 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1du4 h ALA 18 CO 0.01 0.66 0.59 0.00 0.00 0.00 0.00 179.25 180.51 1du4 h ALA 19 N 1.22 1.92 -0.53 0.00 0.00 -0.84 -0.29 119.26 120.74 1du4 h ALA 19 Ca 0.28 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.35 1du4 h ALA 19 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1du4 h ALA 19 CO -0.03 -0.19 0.38 0.00 0.00 0.00 0.00 179.25 179.40 1du4 h ALA 20 N 1.61 2.38 0.00 0.00 0.00 -1.34 -1.30 119.26 120.61 1du4 h ALA 20 Ca 0.47 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 1du4 h ALA 20 Cb 0.88 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1du4 h ALA 20 CO -0.22 -0.53 -0.46 1.88 0.00 0.00 0.00 179.25 179.92 1du4 h TYR 21 N 0.09 0.00 -2.61 0.00 0.05 -1.18 -3.43 116.97 109.89 1du4 h TYR 21 Ca 0.25 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.47 1du4 h TYR 21 Cb 0.89 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.61 1du4 h TYR 21 CO -0.00 0.46 1.19 0.00 -1.05 0.00 0.00 178.16 178.76 1du4 h GLY 23 N 11.93 1.23 2.00 0.00 0.00 -1.76 -0.48 103.07 115.99 1du4 h GLY 23 Ca -0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1du4 h GLY 23 CO 0.99 -0.03 -0.00 1.70 0.00 0.00 0.00 176.54 179.19 1du4 h LYS 24 N 0.54 0.00 -0.17 4.80 1.63 -1.89 -1.60 116.57 119.88 1du4 h LYS 24 Ca 0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1du4 h LYS 24 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1du4 h LYS 24 CO -0.26 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 175.84 1du4 n ASN 25 N -4.49 1.33 -0.01 4.20 3.02 -0.19 -3.84 115.26 115.28 1du4 n ASN 25 Ca -0.03 -1.74 0.11 0.00 -0.03 0.00 0.00 54.58 52.89 1du4 n ASN 25 Cb 0.09 -0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 39.00 1du4 n ASN 25 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1du4 n ASN 26 N 0.13 0.11 -3.08 6.41 5.03 -0.60 -4.54 115.26 118.72 1du4 n ASN 26 Ca 0.14 -0.07 -0.17 0.00 0.87 0.00 0.00 54.58 55.35 1du4 n ASN 26 Cb 0.26 1.86 -0.04 0.00 -1.02 0.00 0.00 39.78 40.83 1du4 n ASN 26 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1du4 n ASP 27 N -2.21 -1.67 -4.14 6.41 8.00 -1.25 -1.78 116.55 119.91 1du4 n ASP 27 Ca -0.03 -2.71 -0.24 0.00 0.71 0.00 0.00 54.79 52.52 1du4 n ASP 27 Cb 0.55 0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 41.98 1du4 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du4 s ALA 28 N 0.23 1.39 0.38 2.24 0.00 -1.25 -4.93 121.76 119.82 1du4 s ALA 28 Ca 0.32 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 51.33 1du4 s ALA 28 Cb 0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 23.12 22.68 1du4 s ALA 28 CO -0.14 0.31 1.25 -2.30 0.00 0.00 0.00 175.76 174.88 1du4 n PRO 29 N 2.85 1.95 -1.77 0.00 -0.02 -1.26 -4.61 135.00 132.15 1du4 n PRO 29 Ca -0.16 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 1du4 n PRO 29 Cb 0.54 -2.32 0.07 0.00 -0.02 0.00 0.00 33.50 31.77 1du4 n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du4 s ALA 30 N -1.16 2.40 0.00 3.55 0.00 -1.26 -2.38 121.76 122.91 1du4 s ALA 30 Ca 0.59 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.75 1du4 s ALA 30 Cb -0.54 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.03 1du4 s ALA 30 CO 0.60 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1du4 n GLY 31 N 0.87 2.03 3.45 0.00 0.00 -0.61 -4.93 105.19 106.00 1du4 n GLY 31 Ca 0.16 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1du4 n GLY 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1du4 n THR 32 N 0.00 1.25 -3.12 2.61 -1.04 -1.00 -4.54 114.28 108.44 1du4 n THR 32 Ca 0.00 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.05 61.38 1du4 n THR 32 Cb 0.00 -0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 67.76 1du4 n THR 32 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1du4 s ASN 33 N -1.64 6.54 -0.23 8.00 0.02 -1.26 -0.63 114.94 125.73 1du4 s ASN 33 Ca 0.63 0.99 -0.18 0.00 -1.02 0.00 0.00 52.86 53.28 1du4 s ASN 33 Cb -0.30 -2.26 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 1du4 s ASN 33 CO 0.61 -0.27 0.53 -0.63 0.02 0.00 0.00 177.10 177.36 1du4 s ILE 34 N -2.16 5.08 0.03 0.60 1.01 -0.17 -4.84 121.20 120.75 1du4 s ILE 34 Ca 0.49 0.93 0.04 0.00 0.00 0.00 0.00 60.65 62.11 1du4 s ILE 34 Cb -0.11 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1du4 s ILE 34 CO 0.28 0.12 -0.11 0.42 0.00 0.00 0.00 174.94 175.64 1du4 s THR 35 N 2.03 0.89 -0.09 2.92 -4.23 -1.26 -4.34 115.64 111.56 1du4 s THR 35 Ca 0.23 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1du4 s THR 35 Cb -0.15 -0.81 -0.00 0.00 1.34 0.00 0.00 72.50 72.87 1du4 s THR 35 CO 0.09 0.00 -0.24 0.00 -0.54 0.00 0.00 174.62 173.94 1du4 s THR 37 N 0.18 4.57 0.00 0.00 -4.23 -1.26 -3.93 115.64 110.97 1du4 s THR 37 Ca -0.14 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1du4 s THR 37 Cb -0.17 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1du4 s THR 37 CO 0.07 -0.96 0.00 0.61 -0.54 0.00 0.00 174.62 173.80 1du4 n GLY 38 N -2.27 0.66 3.65 3.99 0.00 -1.26 -3.62 105.19 106.35 1du4 n GLY 38 Ca 0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1du4 n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1du4 n ASN 39 N 0.01 -3.94 -0.44 1.61 4.13 -1.25 -4.91 115.26 110.47 1du4 n ASN 39 Ca 0.00 -0.67 0.08 0.00 1.68 0.00 0.00 54.58 55.67 1du4 n ASN 39 Cb 0.00 -4.59 0.02 0.00 -1.54 0.00 0.00 39.78 33.67 1du4 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1du4 n ALA 40 N -4.58 2.98 -2.89 5.41 0.00 -1.24 -4.63 120.51 115.56 1du4 n ALA 40 Ca -0.12 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 52.64 1du4 n ALA 40 Cb 0.60 -0.56 0.05 0.00 0.00 0.00 0.00 19.45 19.54 1du4 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du4 h PRO 42 N 2.93 1.20 -0.15 0.00 0.13 -1.94 0.68 132.00 134.86 1du4 h PRO 42 Ca -0.04 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 1du4 h PRO 42 Cb 1.07 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1du4 h PRO 42 CO 0.27 0.79 -0.12 0.93 -0.23 0.00 0.00 178.00 179.65 1du4 h GLU 43 N 1.23 0.23 -0.31 0.86 4.39 -1.97 0.41 114.58 119.42 1du4 h GLU 43 Ca 0.42 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.92 1du4 h GLU 43 Cb 0.08 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1du4 h GLU 43 CO -0.15 0.36 -0.37 0.28 -1.16 0.00 0.00 179.01 177.97 1du4 h VAL 44 N 0.22 1.29 -0.25 3.13 2.07 -1.24 -3.03 116.25 118.45 1du4 h VAL 44 Ca 0.05 -1.55 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 1du4 h VAL 44 Cb 0.35 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1du4 h VAL 44 CO 0.02 0.50 -0.23 -0.33 0.02 0.00 0.00 177.57 177.56 1du4 h GLU 45 N 0.56 0.46 -0.09 1.57 5.08 -0.70 -2.82 114.58 118.63 1du4 h GLU 45 Ca 0.04 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1du4 h GLU 45 Cb 0.96 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1du4 h GLU 45 CO 0.09 0.66 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.35 1du4 h LYS 46 N 0.41 0.15 -7.45 2.33 3.64 -0.15 -3.44 116.57 112.07 1du4 h LYS 46 Ca 0.06 -0.04 -0.46 0.00 -1.27 0.00 0.00 60.65 58.95 1du4 h LYS 46 Cb 0.62 -0.02 0.10 0.00 -0.41 0.00 0.00 32.23 32.53 1du4 h LYS 46 CO 0.04 0.35 0.29 0.00 -2.27 0.00 0.00 179.45 177.86 1du4 s ALA 47 N -4.59 2.94 -1.37 5.00 0.00 -1.06 -4.97 121.76 117.70 1du4 s ALA 47 Ca -0.05 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 1du4 s ALA 47 Cb 0.15 -2.63 0.10 0.00 0.00 0.00 0.00 23.12 20.74 1du4 s ALA 47 CO 0.73 -1.63 2.13 -3.47 0.00 0.00 0.00 175.76 173.52 1du4 n ASP 48 N -3.16 5.28 -4.45 0.00 2.03 -1.26 -4.92 116.55 110.07 1du4 n ASP 48 Ca 0.10 -2.98 -0.43 0.00 0.52 0.00 0.00 54.79 52.00 1du4 n ASP 48 Cb 0.60 -1.53 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 1du4 n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1du4 s ALA 49 N 1.28 3.48 0.17 -1.67 0.00 -1.26 -2.58 121.76 121.19 1du4 s ALA 49 Ca 0.46 -1.75 0.09 0.00 0.00 0.00 0.00 51.96 50.76 1du4 s ALA 49 Cb 0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1du4 s ALA 49 CO -0.04 -1.55 -0.20 0.95 0.00 0.00 0.00 175.76 174.92 1du4 s THR 50 N 1.79 1.97 0.42 0.00 -4.23 -0.55 -1.00 115.64 114.03 1du4 s THR 50 Ca 0.06 -1.94 -0.25 0.00 -1.18 0.00 0.00 61.69 58.39 1du4 s THR 50 Cb -0.20 -1.91 -0.08 0.00 1.34 0.00 0.00 72.50 71.65 1du4 s THR 50 CO 0.10 -0.25 1.18 -0.36 -0.54 0.00 0.00 174.62 174.75 1du4 s PHE 51 N -1.91 2.99 -0.07 3.99 0.08 0.20 -0.51 117.98 122.75 1du4 s PHE 51 Ca 0.17 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 58.73 1du4 s PHE 51 Cb -0.07 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.93 1du4 s PHE 51 CO 0.07 -1.45 -0.08 1.28 -0.10 0.00 0.00 175.22 174.94 1du4 n LEU 52 N -0.06 1.20 -3.76 -0.37 4.77 -0.20 -1.58 117.00 117.00 1du4 n LEU 52 Ca 0.05 0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1du4 n LEU 52 Cb 0.47 -0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1du4 n LEU 52 CO 0.50 0.28 -0.04 -0.47 -1.33 0.00 0.00 177.39 176.34 1du4 s TYR 53 N -2.13 -0.34 -0.03 -1.77 5.04 -1.09 -4.76 117.35 112.27 1du4 s TYR 53 Ca -0.10 0.83 0.03 0.00 -2.44 0.00 0.00 57.07 55.39 1du4 s TYR 53 Cb 0.03 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.46 1du4 s TYR 53 CO 0.13 -0.17 -0.10 0.45 -1.34 0.00 0.00 175.55 174.51 1du4 s SER 54 N 0.30 1.41 0.07 4.32 0.15 -1.26 0.20 113.70 118.88 1du4 s SER 54 Ca -0.01 -0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.35 1du4 s SER 54 Cb -0.03 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1du4 s SER 54 CO -0.01 0.07 0.11 0.72 1.20 0.00 0.00 173.24 175.33 1du4 s PHE 55 N 0.26 0.25 -0.23 3.44 -0.12 -0.19 -4.77 117.98 116.62 1du4 s PHE 55 Ca -0.05 -0.68 -0.16 0.00 -0.05 0.00 0.00 56.93 55.99 1du4 s PHE 55 Cb -0.10 -0.16 0.07 0.00 -0.63 0.00 0.00 43.02 42.19 1du4 s PHE 55 CO 0.01 -0.46 0.58 -2.00 -0.05 0.00 0.00 175.22 173.30 1du4 s GLU 56 N -3.56 0.62 -1.36 1.99 2.12 -1.25 -1.74 118.70 115.54 1du4 s GLU 56 Ca 0.03 0.97 -0.03 0.00 0.36 0.00 0.00 54.97 56.30 1du4 s GLU 56 Cb 0.04 0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.62 1du4 s GLU 56 CO -0.09 -0.13 0.77 -0.25 -0.54 0.00 0.00 175.26 175.02 1du4 n ASP 57 N 3.73 -2.05 -4.93 -1.70 8.00 -0.96 -4.91 116.55 113.73 1du4 n ASP 57 Ca -0.19 -0.80 -0.29 0.00 0.71 0.00 0.00 54.79 54.22 1du4 n ASP 57 Cb 0.57 -4.05 -0.04 0.00 -0.02 0.00 0.00 41.12 37.58 1du4 n ASP 57 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1du4 s SER 58 N -4.12 6.35 0.98 -2.24 0.15 -0.49 -4.66 113.70 109.68 1du4 s SER 58 Ca 0.16 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1du4 s SER 58 Cb -0.08 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1du4 s SER 58 CO 0.81 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.99 1du4 n GLY 59 N -0.02 1.90 0.11 9.45 0.00 -1.26 -1.24 105.19 114.12 1du4 n GLY 59 Ca -0.06 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1du4 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1du4 h VAL 60 N 0.00 0.90 -0.55 1.61 2.07 -1.88 -3.37 116.25 115.03 1du4 h VAL 60 Ca 0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1du4 h VAL 60 Cb 0.00 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1du4 h VAL 60 CO 0.00 0.73 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1du4 n GLY 61 N 1.72 2.55 3.50 2.17 0.00 -1.25 -4.90 105.19 108.97 1du4 n GLY 61 Ca -0.21 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 1du4 n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1du4 n ASP 62 N 0.83 -1.89 -4.67 1.61 8.00 -1.19 -4.88 116.55 114.36 1du4 n ASP 62 Ca 0.23 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 1du4 n ASP 62 Cb 0.91 -4.88 -0.03 0.00 -0.02 0.00 0.00 41.12 37.10 1du4 n ASP 62 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1du4 s VAL 63 N -3.43 3.03 -0.00 2.53 1.01 -0.37 -3.75 120.40 119.41 1du4 s VAL 63 Ca 0.01 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1du4 s VAL 63 Cb -0.00 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1du4 s VAL 63 CO 0.75 -0.01 -0.05 -0.89 0.00 0.00 0.00 175.10 174.90 1du4 s THR 64 N 3.62 0.38 -1.72 3.92 2.01 -1.26 -1.39 115.64 121.20 1du4 s THR 64 Ca 0.81 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1du4 s THR 64 Cb -0.41 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1du4 s THR 64 CO 0.36 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1du4 n GLY 65 N 2.97 -0.62 3.51 4.40 0.00 -0.71 -0.91 105.19 113.83 1du4 n GLY 65 Ca -0.13 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1du4 n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1du4 s PHE 66 N -4.00 -0.37 -0.11 1.61 -0.12 -0.96 -1.02 117.98 113.00 1du4 s PHE 66 Ca 0.00 0.31 0.02 0.00 -0.05 0.00 0.00 56.93 57.21 1du4 s PHE 66 Cb 0.00 0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1du4 s PHE 66 CO 0.00 -0.53 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.28 1du4 s LEU 67 N -2.25 2.34 0.12 -1.99 2.96 0.13 -1.01 118.68 118.98 1du4 s LEU 67 Ca 0.03 -0.47 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1du4 s LEU 67 Cb -0.01 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1du4 s LEU 67 CO -0.07 0.16 -0.13 0.00 -1.32 0.00 0.00 176.35 174.98 1du4 s ALA 68 N 0.38 1.44 -0.14 5.97 0.00 -0.05 -1.04 121.76 128.32 1du4 s ALA 68 Ca -0.15 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1du4 s ALA 68 Cb -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1du4 s ALA 68 CO 0.07 0.07 -0.03 -1.17 0.00 0.00 0.00 175.76 174.70 1du4 s LEU 69 N -2.50 3.32 -0.41 0.00 2.96 0.33 -1.24 118.68 121.15 1du4 s LEU 69 Ca 0.09 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1du4 s LEU 69 Cb -0.04 -1.79 0.12 0.00 0.50 0.00 0.00 46.19 44.98 1du4 s LEU 69 CO 0.02 0.22 0.19 -0.62 -1.32 0.00 0.00 176.35 174.84 1du4 s ASP 70 N 0.07 3.91 0.28 3.68 -1.08 -1.01 -1.49 116.67 121.03 1du4 s ASP 70 Ca 0.00 -2.38 0.01 0.00 -0.52 0.00 0.00 52.55 49.67 1du4 s ASP 70 Cb -0.13 -1.11 0.40 0.00 -1.46 0.00 0.00 42.92 40.62 1du4 s ASP 70 CO 0.03 -0.31 1.74 0.78 0.52 0.00 0.00 175.17 177.92 1du4 h ASN 71 N 7.12 0.57 0.57 -0.34 2.35 -1.80 0.63 115.58 124.68 1du4 h ASN 71 Ca -0.05 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1du4 h ASN 71 Cb 0.95 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.18 1du4 h ASN 71 CO 0.50 0.75 -0.28 0.74 -1.65 0.00 0.00 177.43 177.50 1du4 h THR 72 N 0.52 0.43 0.00 2.81 2.02 -1.93 -3.21 112.91 113.55 1du4 h THR 72 Ca 0.09 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1du4 h THR 72 Cb 0.59 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1du4 h THR 72 CO 0.04 0.00 -0.62 0.59 0.37 0.00 0.00 175.52 175.90 1du4 n ASN 73 N -5.42 0.58 -2.50 4.18 3.02 -1.18 -4.98 115.26 108.96 1du4 n ASN 73 Ca -0.13 -0.17 -0.09 0.00 -0.03 0.00 0.00 54.58 54.17 1du4 n ASN 73 Cb 0.32 0.33 0.04 0.00 -0.61 0.00 0.00 39.78 39.86 1du4 n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1du4 n LYS 74 N -1.73 -1.70 -4.29 3.52 5.02 0.22 -4.89 118.16 114.32 1du4 n LYS 74 Ca 0.04 0.50 -0.18 0.00 -2.02 0.00 0.00 58.31 56.66 1du4 n LYS 74 Cb 0.38 -4.09 -0.11 0.00 -0.02 0.00 0.00 35.03 31.19 1du4 n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1du4 s LEU 75 N -4.41 2.47 -0.24 -0.35 1.43 -0.96 -1.49 118.68 115.14 1du4 s LEU 75 Ca 0.23 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1du4 s LEU 75 Cb -0.03 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.62 1du4 s LEU 75 CO 0.43 -0.16 -0.09 -0.63 0.23 0.00 0.00 176.35 176.13 1du4 s ILE 76 N -2.53 2.65 -0.27 -0.59 1.01 0.79 -2.41 121.20 119.85 1du4 s ILE 76 Ca 0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1du4 s ILE 76 Cb -0.03 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.13 1du4 s ILE 76 CO 0.04 0.24 -0.00 -0.69 0.00 0.00 0.00 174.94 174.52 1du4 s VAL 77 N 1.29 3.30 -0.49 2.92 1.01 -0.37 -0.92 120.40 127.14 1du4 s VAL 77 Ca -0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1du4 s VAL 77 Cb -0.16 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.60 1du4 s VAL 77 CO -0.06 0.14 0.50 -0.22 0.00 0.00 0.00 175.10 175.46 1du4 s LEU 78 N 1.39 5.43 -0.34 3.92 2.96 -0.68 -0.87 118.68 130.49 1du4 s LEU 78 Ca 0.01 -1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 52.56 1du4 s LEU 78 Cb -0.17 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1du4 s LEU 78 CO -0.02 -0.77 0.30 -0.55 -1.32 0.00 0.00 176.35 173.99 1du4 s SER 79 N 2.75 6.12 -0.11 3.68 0.15 -0.18 -0.95 113.70 125.16 1du4 s SER 79 Ca 0.08 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.36 1du4 s SER 79 Cb -0.23 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 1du4 s SER 79 CO 0.08 -0.27 0.18 -0.36 1.20 0.00 0.00 173.24 174.07 1du4 s PHE 80 N 1.87 3.60 0.14 3.44 0.08 0.13 -2.27 117.98 124.97 1du4 s PHE 80 Ca 0.09 0.58 -0.13 0.00 0.12 0.00 0.00 56.93 57.59 1du4 s PHE 80 Cb -0.17 -2.02 -0.07 0.00 -0.57 0.00 0.00 43.02 40.20 1du4 s PHE 80 CO 0.11 0.68 0.52 0.50 -0.10 0.00 0.00 175.22 176.92 1du4 s ARG 81 N -0.88 3.91 0.00 0.44 3.00 -0.09 -3.75 118.95 121.58 1du4 s ARG 81 Ca 0.16 0.39 0.00 0.00 -1.00 0.00 0.00 55.73 55.28 1du4 s ARG 81 Cb -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 34.95 31.91 1du4 s ARG 81 CO 0.05 0.48 0.00 0.41 0.00 0.00 0.00 175.30 176.23 1du4 n GLY 82 N 0.70 -0.78 3.77 8.12 0.00 -1.21 -3.63 105.19 112.16 1du4 n GLY 82 Ca -0.05 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1du4 n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1du4 s SER 83 N -1.00 5.85 0.48 1.61 0.15 -1.26 -4.81 113.70 114.72 1du4 s SER 83 Ca 0.00 2.36 0.27 0.00 0.70 0.00 0.00 55.95 59.27 1du4 s SER 83 Cb 0.00 -2.60 1.17 0.00 -1.71 0.00 0.00 66.02 62.88 1du4 s SER 83 CO 0.00 -1.14 1.93 -0.09 1.20 0.00 0.00 173.24 175.14 1du4 h ARG 84 N 1.68 0.00 -2.87 5.44 1.12 -1.97 -3.32 114.38 114.46 1du4 h ARG 84 Ca -0.50 0.00 -0.61 0.00 -1.11 0.00 0.00 59.98 57.76 1du4 h ARG 84 Cb 1.26 0.00 -0.40 0.00 -0.01 0.00 0.00 29.97 30.82 1du4 h ARG 84 CO 0.59 0.17 -0.74 0.45 -3.11 0.00 0.00 179.97 177.32 1du4 s SER 85 N -6.10 3.47 0.16 -3.80 0.15 -1.26 -5.03 113.70 101.29 1du4 s SER 85 Ca -0.01 -3.13 -0.23 0.00 0.70 0.00 0.00 55.95 53.28 1du4 s SER 85 Cb 0.11 -1.09 0.05 0.00 -1.71 0.00 0.00 66.02 63.39 1du4 s SER 85 CO 0.60 -0.18 1.61 0.40 1.20 0.00 0.00 173.24 176.87 1du4 h ILE 86 N 4.83 0.27 -0.68 6.45 1.08 -1.92 -1.37 117.51 126.17 1du4 h ILE 86 Ca 0.11 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.72 1du4 h ILE 86 Cb 0.87 0.27 -0.10 0.00 -3.07 0.00 0.00 36.82 34.78 1du4 h ILE 86 CO 0.53 0.00 0.14 -0.33 -0.69 0.00 0.00 178.15 177.81 1du4 h GLU 87 N -0.25 0.25 -0.14 2.37 3.07 -1.95 -0.79 114.58 117.14 1du4 h GLU 87 Ca 0.17 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 1du4 h GLU 87 Cb 0.52 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1du4 h GLU 87 CO -0.50 0.17 -0.52 -0.97 -1.40 0.00 0.00 179.01 175.78 1du4 h ASN 88 N 0.26 0.42 -0.31 1.42 -0.73 -1.93 -2.72 115.58 111.99 1du4 h ASN 88 Ca 0.37 -0.21 -0.10 0.00 1.87 0.00 0.00 56.30 58.22 1du4 h ASN 88 Cb 0.59 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 1du4 h ASN 88 CO -0.47 0.87 -0.17 -0.25 -0.37 0.00 0.00 177.43 177.04 1du4 h TRP 89 N 0.30 0.85 -0.31 0.67 7.01 -0.04 -2.60 115.95 121.83 1du4 h TRP 89 Ca 0.01 -0.17 -0.05 0.00 2.11 0.00 0.00 58.89 60.79 1du4 h TRP 89 Cb 1.01 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 1du4 h TRP 89 CO 0.03 0.88 -0.00 0.82 -2.79 0.00 0.00 178.44 177.38 1du4 h ILE 90 N 0.68 1.26 -0.70 2.65 2.04 -1.22 -2.31 117.51 119.91 1du4 h ILE 90 Ca 0.10 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1du4 h ILE 90 Cb 0.66 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1du4 h ILE 90 CO 0.05 0.31 0.26 1.23 0.00 0.00 0.00 178.15 179.99 1du4 h GLY 91 N 0.35 1.13 -1.72 5.37 0.00 -1.37 -3.18 103.07 103.64 1du4 h GLY 91 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1du4 h GLY 91 CO 0.02 0.58 0.00 0.70 0.00 0.00 0.00 176.54 177.84 1du4 n ASN 92 N -4.28 2.79 -4.68 0.19 3.02 -0.99 -4.99 115.26 106.33 1du4 n ASN 92 Ca 0.06 -1.92 -0.52 0.00 -0.03 0.00 0.00 54.58 52.18 1du4 n ASN 92 Cb 0.19 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1du4 n ASN 92 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1du4 n LEU 93 N 1.17 2.75 -4.77 3.41 7.94 -0.87 -4.95 117.00 121.68 1du4 n LEU 93 Ca 0.15 1.05 -0.40 0.00 -1.11 0.00 0.00 56.01 55.70 1du4 n LEU 93 Cb 0.56 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.18 1du4 n LEU 93 CO 0.15 -0.38 0.50 0.21 -1.11 0.00 0.00 177.39 176.77 1du4 s ASN 94 N 2.85 7.38 -0.13 1.96 3.84 -1.26 -4.99 114.94 124.58 1du4 s ASN 94 Ca 0.91 1.63 0.16 0.00 0.21 0.00 0.00 52.86 55.77 1du4 s ASN 94 Cb -0.86 -2.50 0.60 0.00 -0.55 0.00 0.00 41.25 37.94 1du4 s ASN 94 CO 0.54 0.16 1.52 0.49 -2.79 0.00 0.00 177.10 177.01 1du4 n PHE 95 N 1.88 1.22 -2.41 0.43 3.72 -1.26 -4.94 117.46 116.11 1du4 n PHE 95 Ca -0.04 -0.70 -0.40 0.00 -0.05 0.00 0.00 57.45 56.26 1du4 n PHE 95 Cb 0.49 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1du4 n PHE 95 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1du4 s ASP 96 N -1.24 7.04 0.31 4.37 1.01 -1.26 -4.91 116.67 121.99 1du4 s ASP 96 Ca 0.44 2.32 0.07 0.00 0.71 0.00 0.00 52.55 56.09 1du4 s ASP 96 Cb 0.31 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 1du4 s ASP 96 CO 0.17 -0.31 0.31 -0.76 0.21 0.00 0.00 175.17 174.79 1du4 s LEU 97 N -1.76 3.80 0.01 1.23 1.43 -1.26 -0.53 118.68 121.59 1du4 s LEU 97 Ca 0.48 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1du4 s LEU 97 Cb -0.32 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1du4 s LEU 97 CO 0.41 -0.27 0.17 -1.59 0.23 0.00 0.00 176.35 175.30 1du4 s LYS 98 N -3.99 0.54 0.36 1.70 -2.85 0.68 -4.66 119.74 111.52 1du4 s LYS 98 Ca 0.39 -0.43 -0.28 0.00 -1.00 0.00 0.00 55.97 54.65 1du4 s LYS 98 Cb -0.07 0.23 -0.11 0.00 -2.06 0.00 0.00 37.83 35.81 1du4 s LYS 98 CO 0.27 -0.14 1.47 -0.85 0.10 0.00 0.00 175.35 176.21 1du4 n GLU 99 N 1.27 2.60 -3.02 1.78 -0.00 -1.26 -0.33 120.64 121.68 1du4 n GLU 99 Ca -0.22 0.91 -0.20 0.00 -0.00 0.00 0.00 57.16 57.65 1du4 n GLU 99 Cb 0.56 -2.63 -0.02 0.00 -0.00 0.00 0.00 31.44 29.35 1du4 n GLU 99 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1du4 n ILE 100 N 0.59 1.07 0.26 3.84 -5.35 -0.03 -4.76 119.36 114.98 1du4 n ILE 100 Ca 0.02 -4.74 0.13 0.00 -0.27 0.00 0.00 62.75 57.90 1du4 n ILE 100 Cb 0.38 -0.56 0.71 0.00 -1.74 0.00 0.00 39.64 38.43 1du4 n ILE 100 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1du4 h ASN 101 N 2.97 0.00 -0.80 7.28 2.35 -1.72 -1.20 115.58 124.46 1du4 h ASN 101 Ca 0.10 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.92 1du4 h ASN 101 Cb 0.85 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.16 1du4 h ASN 101 CO 0.61 0.12 0.48 -2.24 -1.65 0.00 0.00 177.43 174.75 1du4 h ASP 102 N 0.00 0.73 0.02 5.81 2.03 -1.95 -3.20 116.42 119.85 1du4 h ASP 102 Ca -0.00 0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1du4 h ASP 102 Cb 0.41 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1du4 h ASP 102 CO 0.02 0.46 -0.01 0.40 -1.03 0.00 0.00 179.24 179.07 1du4 h ILE 103 N 0.86 1.37 -2.69 4.15 2.04 -1.66 -3.48 117.51 118.09 1du4 h ILE 103 Ca 0.36 -1.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.32 1du4 h ILE 103 Cb 0.21 2.51 -0.16 0.00 -0.74 0.00 0.00 36.82 38.63 1du4 h ILE 103 CO -0.19 0.43 0.06 0.00 0.00 0.00 0.00 178.15 178.46 1du4 s SER 105 N -1.91 6.79 0.00 0.00 0.15 -1.26 -2.28 113.70 115.19 1du4 s SER 105 Ca -0.06 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1du4 s SER 105 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1du4 s SER 105 CO -0.01 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.20 1du4 n GLY 106 N 3.89 0.53 3.78 9.45 0.00 -1.26 -4.95 105.19 116.62 1du4 n GLY 106 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1du4 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du4 s ARG 108 N -1.67 2.07 0.23 0.00 0.52 -1.26 -0.85 118.95 117.98 1du4 s ARG 108 Ca 0.45 -0.80 0.12 0.00 -0.52 0.00 0.00 55.73 54.98 1du4 s ARG 108 Cb -0.21 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.36 1du4 s ARG 108 CO 0.26 0.40 -0.22 0.20 0.02 0.00 0.00 175.30 175.95 1du4 s GLY 109 N -0.28 1.78 0.16 -3.53 0.00 0.55 -1.36 107.32 104.64 1du4 s GLY 109 Ca 0.02 -1.73 -0.34 0.00 0.00 0.00 0.00 44.72 42.66 1du4 s GLY 109 CO 0.01 -1.79 1.48 1.57 0.00 0.00 0.00 173.10 174.38 1du4 n HIS 110 N -0.09 2.05 -0.00 1.90 -0.00 -0.82 -0.23 115.22 118.02 1du4 n HIS 110 Ca -0.10 0.40 -0.12 0.00 0.46 0.00 0.00 57.72 58.36 1du4 n HIS 110 Cb 0.58 -2.47 -0.06 0.00 -0.12 0.00 0.00 29.99 27.91 1du4 n HIS 110 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1du4 h ASP 111 N 5.20 0.10 0.22 0.26 1.82 -1.08 -1.81 116.42 121.13 1du4 h ASP 111 Ca -0.45 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.08 1du4 h ASP 111 Cb 1.28 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 1du4 h ASP 111 CO 0.83 0.17 -0.14 1.23 -1.61 0.00 0.00 179.24 179.72 1du4 h GLY 112 N 0.01 -0.36 0.79 -0.78 0.00 -1.90 -0.53 103.07 100.31 1du4 h GLY 112 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.53 1du4 h GLY 112 CO -0.00 -0.15 -0.09 0.74 0.00 0.00 0.00 176.54 177.04 1du4 h PHE 113 N -0.36 -0.24 -0.68 5.60 0.04 -1.93 -1.29 116.94 118.08 1du4 h PHE 113 Ca -0.02 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1du4 h PHE 113 Cb 0.30 0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1du4 h PHE 113 CO -0.09 -0.15 0.34 1.15 -0.60 0.00 0.00 178.31 178.96 1du4 h THR 114 N -0.18 1.22 -0.33 -1.55 2.02 -1.38 -1.46 112.91 111.26 1du4 h THR 114 Ca 0.03 -0.62 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 1du4 h THR 114 Cb 0.21 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1du4 h THR 114 CO -0.08 0.26 -0.24 0.28 0.37 0.00 0.00 175.52 176.11 1du4 h SER 115 N 0.94 0.78 -0.76 4.18 0.02 -0.96 -2.02 113.55 115.73 1du4 h SER 115 Ca 0.24 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1du4 h SER 115 Cb 0.10 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1du4 h SER 115 CO -0.03 1.05 0.49 -1.28 -1.14 0.00 0.00 176.83 175.92 1du4 h SER 116 N 0.51 0.88 -0.12 3.07 0.87 -1.11 -2.36 113.55 115.29 1du4 h SER 116 Ca 0.06 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1du4 h SER 116 Cb 0.80 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1du4 h SER 116 CO 0.06 0.65 0.05 -0.25 -0.53 0.00 0.00 176.83 176.81 1du4 h TRP 117 N 1.03 0.18 -0.89 2.24 -0.00 -1.10 -2.90 115.95 114.50 1du4 h TRP 117 Ca 0.28 -0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.27 1du4 h TRP 117 Cb -0.10 -0.05 -0.07 0.00 -0.00 0.00 0.00 29.16 28.94 1du4 h TRP 117 CO -0.02 0.25 0.57 -0.09 -0.00 0.00 0.00 178.44 179.16 1du4 h ARG 118 N 0.05 0.80 -0.90 2.65 9.65 -1.22 -0.21 114.38 125.20 1du4 h ARG 118 Ca 0.04 -0.05 0.15 0.00 -1.10 0.00 0.00 59.98 59.03 1du4 h ARG 118 Cb 0.15 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 28.47 1du4 h ARG 118 CO -0.00 0.53 0.58 0.77 2.80 0.00 0.00 179.97 184.65 1du4 h SER 119 N 0.83 0.64 -0.01 -3.80 0.02 -1.21 -3.18 113.55 106.84 1du4 h SER 119 Ca 0.43 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1du4 h SER 119 Cb 0.50 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1du4 h SER 119 CO -0.19 0.31 -0.03 1.33 -1.14 0.00 0.00 176.83 177.11 1du4 n VAL 120 N -4.57 0.00 -0.19 2.27 0.24 -0.82 -4.66 118.33 110.60 1du4 n VAL 120 Ca 0.18 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 1du4 n VAL 120 Cb 0.51 1.13 0.06 0.00 -1.47 0.00 0.00 33.84 34.06 1du4 n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1du4 h ALA 121 N 1.27 0.74 -0.05 2.33 0.00 -1.03 -1.14 119.26 121.38 1du4 h ALA 121 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1du4 h ALA 121 Cb 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1du4 h ALA 121 CO 0.00 0.03 -0.01 -0.44 0.00 0.00 0.00 179.25 178.83 1du4 h ASP 122 N 0.64 0.10 0.06 0.00 3.32 -1.88 -0.75 116.42 117.91 1du4 h ASP 122 Ca 0.24 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1du4 h ASP 122 Cb 0.08 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1du4 h ASP 122 CO -0.13 0.43 -0.14 0.74 -1.72 0.00 0.00 179.24 178.41 1du4 h THR 123 N -0.24 0.66 0.00 0.35 2.02 -1.89 -2.27 112.91 111.54 1du4 h THR 123 Ca 0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 1du4 h THR 123 Cb 0.38 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1du4 h THR 123 CO 0.00 0.00 -0.49 -0.07 0.37 0.00 0.00 175.52 175.34 1du4 h LEU 124 N -0.27 0.00 -0.55 2.58 3.38 -1.21 -2.74 115.31 116.49 1du4 h LEU 124 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1du4 h LEU 124 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1du4 h LEU 124 CO -0.10 0.49 -0.71 0.08 0.09 0.00 0.00 178.44 178.29 1du4 h ARG 125 N 0.00 0.10 -0.48 1.13 0.11 -0.95 -2.15 114.38 112.13 1du4 h ARG 125 Ca -0.00 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 59.93 1du4 h ARG 125 Cb 0.92 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.00 1du4 h ARG 125 CO 0.06 0.77 0.08 0.37 0.10 0.00 0.00 179.97 181.36 1du4 h GLN 126 N 0.07 0.80 -0.58 0.08 -0.00 -1.31 -0.49 115.11 113.67 1du4 h GLN 126 Ca -0.01 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.65 58.35 1du4 h GLN 126 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 1du4 h GLN 126 CO 0.10 0.80 0.07 0.87 0.00 0.00 0.00 178.83 180.67 1du4 h LYS 127 N 0.67 0.98 -0.56 1.69 6.56 -1.38 0.93 116.57 125.46 1du4 h LYS 127 Ca 0.15 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.44 1du4 h LYS 127 Cb 0.38 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 1du4 h LYS 127 CO 0.01 0.94 0.26 0.28 -2.06 0.00 0.00 179.45 178.88 1du4 h VAL 128 N 0.87 1.21 0.00 0.50 2.07 -1.31 -2.20 116.25 117.39 1du4 h VAL 128 Ca 0.17 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1du4 h VAL 128 Cb 0.45 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1du4 h VAL 128 CO 0.02 0.24 -0.35 -0.33 0.02 0.00 0.00 177.57 177.16 1du4 h GLU 129 N 0.75 0.00 -0.22 1.57 5.08 -0.72 0.11 114.58 121.15 1du4 h GLU 129 Ca 0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1du4 h GLU 129 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1du4 h GLU 129 CO -0.02 0.35 -0.13 -0.44 -1.00 0.00 0.00 179.01 177.77 1du4 h ASP 130 N 0.00 0.49 -0.53 1.42 3.32 -0.48 -2.06 116.42 118.58 1du4 h ASP 130 Ca -0.00 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1du4 h ASP 130 Cb 0.67 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1du4 h ASP 130 CO 0.05 0.81 0.11 0.00 -1.72 0.00 0.00 179.24 178.49 1du4 h ALA 131 N 0.69 1.11 -0.46 3.45 0.00 -0.87 -1.64 119.26 121.54 1du4 h ALA 131 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1du4 h ALA 131 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1du4 h ALA 131 CO 0.04 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.10 1du4 h VAL 132 N 0.87 1.25 0.00 0.00 2.07 -0.64 0.54 116.25 120.34 1du4 h VAL 132 Ca 0.18 -1.09 -0.19 0.00 0.82 0.00 0.00 66.70 66.42 1du4 h VAL 132 Cb 0.36 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1du4 h VAL 132 CO 0.00 0.38 -0.92 0.08 0.02 0.00 0.00 177.57 177.14 1du4 h ARG 133 N 0.74 0.00 -0.37 1.57 0.11 -1.06 -2.76 114.38 112.60 1du4 h ARG 133 Ca 0.13 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.07 1du4 h ARG 133 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 1du4 h ARG 133 CO 0.03 0.92 -0.34 1.49 0.10 0.00 0.00 179.97 182.17 1du4 h GLU 134 N 0.00 0.85 -2.32 0.08 4.57 -0.86 -3.37 114.58 113.53 1du4 h GLU 134 Ca -0.01 -0.41 -0.59 0.00 -1.18 0.00 0.00 59.36 57.17 1du4 h GLU 134 Cb 1.63 -0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.82 1du4 h GLU 134 CO 0.12 1.05 -0.84 0.72 -1.18 0.00 0.00 179.01 178.88 1du4 n HIS 135 N -4.07 1.26 0.29 0.92 8.25 0.14 -5.01 115.22 117.01 1du4 n HIS 135 Ca -0.01 -3.80 0.19 0.00 -0.26 0.00 0.00 57.72 53.83 1du4 n HIS 135 Cb 0.51 -0.32 1.00 0.00 1.12 0.00 0.00 29.99 32.29 1du4 n HIS 135 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1du4 h PRO 136 N 4.64 0.00 -0.02 -0.41 0.10 -1.66 -2.05 132.00 132.60 1du4 h PRO 136 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.26 1du4 h PRO 136 Cb 0.80 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.90 1du4 h PRO 136 CO 0.59 0.00 -0.34 -0.40 0.10 0.00 0.00 178.00 177.95 1du4 n ASP 137 N -2.84 2.01 -4.83 -2.05 5.75 -1.26 -4.97 116.55 108.35 1du4 n ASP 137 Ca -0.02 -1.51 -0.33 0.00 -0.01 0.00 0.00 54.79 52.93 1du4 n ASP 137 Cb 0.08 0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 1du4 n ASP 137 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1du4 s TYR 138 N -2.13 3.34 -0.03 2.11 1.51 -0.77 -5.00 117.35 116.38 1du4 s TYR 138 Ca 0.18 1.43 -0.07 0.00 -1.01 0.00 0.00 57.07 57.60 1du4 s TYR 138 Cb 0.16 -2.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 1du4 s TYR 138 CO 0.45 -0.04 0.25 -0.98 -1.11 0.00 0.00 175.55 174.12 1du4 s ARG 139 N -3.16 3.58 -0.22 -0.62 1.70 -0.55 -4.83 118.95 114.85 1du4 s ARG 139 Ca 0.59 -0.04 -0.26 0.00 -0.47 0.00 0.00 55.73 55.55 1du4 s ARG 139 Cb -0.10 -3.13 -0.01 0.00 -0.57 0.00 0.00 34.95 31.15 1du4 s ARG 139 CO 0.16 0.69 0.87 0.08 -1.08 0.00 0.00 175.30 176.02 1du4 s VAL 140 N -1.20 4.82 -0.10 4.99 1.01 -1.25 -0.15 120.40 128.52 1du4 s VAL 140 Ca 0.24 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.91 1du4 s VAL 140 Cb -0.13 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1du4 s VAL 140 CO 0.13 -0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.30 1du4 s VAL 141 N 2.69 1.65 -0.11 2.92 1.01 -0.09 -1.90 120.40 126.57 1du4 s VAL 141 Ca 0.37 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1du4 s VAL 141 Cb -0.16 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1du4 s VAL 141 CO 0.09 0.47 -0.00 -0.36 0.00 0.00 0.00 175.10 175.29 1du4 s PHE 142 N 0.75 3.13 0.06 5.22 0.08 0.27 -1.69 117.98 125.80 1du4 s PHE 142 Ca -0.11 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 1du4 s PHE 142 Cb -0.16 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1du4 s PHE 142 CO 0.02 0.30 0.01 -0.08 -0.10 0.00 0.00 175.22 175.37 1du4 s THR 143 N -0.41 0.20 -0.23 0.64 -1.32 -0.12 -0.31 115.64 114.09 1du4 s THR 143 Ca 0.08 -1.70 -0.37 0.00 -1.21 0.00 0.00 61.69 58.48 1du4 s THR 143 Cb -0.12 -1.50 0.15 0.00 -1.51 0.00 0.00 72.50 69.52 1du4 s THR 143 CO 0.02 -0.93 1.35 -0.83 -2.21 0.00 0.00 174.62 172.02 1du4 s GLY 144 N -2.91 -0.26 0.04 6.08 0.00 -0.87 0.22 107.32 109.61 1du4 s GLY 144 Ca 0.07 1.68 0.09 0.00 0.00 0.00 0.00 44.72 46.56 1du4 s GLY 144 CO -0.10 0.54 -0.26 -1.58 0.00 0.00 0.00 173.10 171.70 1du4 s HIS 145 N -2.14 2.33 0.00 1.90 5.65 -1.25 -1.24 115.29 120.55 1du4 s HIS 145 Ca 0.12 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.02 1du4 s HIS 145 Cb 0.00 -1.40 0.00 0.00 -1.18 0.00 0.00 32.58 30.00 1du4 s HIS 145 CO -0.03 0.12 0.00 0.45 -0.65 0.00 0.00 174.74 174.63 1du4 n SER 146 N 1.82 0.00 0.14 9.88 2.88 0.35 -0.69 113.62 128.00 1du4 n SER 146 Ca -0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.51 1du4 n SER 146 Cb 0.52 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.64 1du4 n SER 146 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1du4 h LEU 147 N 0.00 0.00 -0.80 2.46 5.85 -1.88 -1.17 115.31 119.77 1du4 h LEU 147 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1du4 h LEU 147 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1du4 h LEU 147 CO 0.00 0.00 -0.38 1.23 -0.34 0.00 0.00 178.44 178.95 1du4 h GLY 148 N 0.00 0.48 1.36 3.75 0.00 -0.97 -1.24 103.07 106.45 1du4 h GLY 148 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1du4 h GLY 148 CO -0.00 0.41 0.17 -1.33 0.00 0.00 0.00 176.54 175.79 1du4 h GLY 149 N 1.11 0.87 1.04 4.60 0.00 -1.02 -0.13 103.07 109.54 1du4 h GLY 149 Ca 0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1du4 h GLY 149 CO 0.07 0.44 -0.20 0.00 0.00 0.00 0.00 176.54 176.85 1du4 h ALA 150 N 1.40 0.59 -0.35 3.60 0.00 -1.21 -1.85 119.26 121.44 1du4 h ALA 150 Ca 0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1du4 h ALA 150 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1du4 h ALA 150 CO -0.01 0.55 0.13 -0.07 0.00 0.00 0.00 179.25 179.85 1du4 h LEU 151 N 0.69 0.50 0.07 0.00 3.38 -0.91 -2.15 115.31 116.89 1du4 h LEU 151 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1du4 h LEU 151 Cb 0.76 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1du4 h LEU 151 CO 0.06 0.55 -0.06 0.00 0.09 0.00 0.00 178.44 179.09 1du4 h ALA 152 N 0.97 -0.12 -0.04 1.53 0.00 -1.03 -0.69 119.26 119.88 1du4 h ALA 152 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1du4 h ALA 152 Cb 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1du4 h ALA 152 CO -0.01 -0.57 -0.21 1.15 0.00 0.00 0.00 179.25 179.61 1du4 h THR 153 N -0.13 0.50 -0.38 0.00 2.02 -1.03 -1.30 112.91 112.59 1du4 h THR 153 Ca -0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1du4 h THR 153 Cb 0.12 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1du4 h THR 153 CO -0.01 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.68 1du4 h VAL 154 N -0.31 1.02 -0.77 3.16 2.07 -1.29 -1.06 116.25 119.08 1du4 h VAL 154 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1du4 h VAL 154 Cb 0.41 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1du4 h VAL 154 CO -0.22 0.08 0.43 0.00 0.02 0.00 0.00 177.57 177.88 1du4 h ALA 155 N 1.17 0.98 -0.54 1.67 0.00 -0.93 -1.68 119.26 119.94 1du4 h ALA 155 Ca 0.15 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1du4 h ALA 155 Cb 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1du4 h ALA 155 CO -0.08 0.48 0.00 0.78 0.00 0.00 0.00 179.25 180.43 1du4 h GLY 156 N 1.06 1.00 1.28 0.00 0.00 -0.81 0.15 103.07 105.75 1du4 h GLY 156 Ca 0.27 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1du4 h GLY 156 CO -0.05 0.65 0.13 0.00 0.00 0.00 0.00 176.54 177.27 1du4 h ALA 157 N 1.14 1.15 -0.00 3.60 0.00 -0.73 -2.06 119.26 122.35 1du4 h ALA 157 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1du4 h ALA 157 Cb 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1du4 h ALA 157 CO 0.02 0.58 -0.02 0.22 0.00 0.00 0.00 179.25 180.05 1du4 h ASP 158 N 0.86 0.02 1.40 0.00 3.58 -1.13 -3.37 116.42 117.78 1du4 h ASP 158 Ca 0.18 -0.76 -0.04 0.00 0.42 0.00 0.00 57.03 56.84 1du4 h ASP 158 Cb 0.33 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1du4 h ASP 158 CO 0.00 0.77 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.89 1du4 h LEU 159 N -0.73 0.00-10.10 2.28 3.38 -0.99 -3.46 115.31 105.69 1du4 h LEU 159 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 1du4 h LEU 159 Cb 0.78 0.00 0.21 0.00 0.09 0.00 0.00 40.66 41.73 1du4 h LEU 159 CO 0.00 0.17 -0.07 0.54 0.09 0.00 0.00 178.44 179.17 1du4 n ARG 160 N -3.21 -0.66 -1.30 1.13 1.74 -0.78 -4.00 116.66 109.59 1du4 n ARG 160 Ca 0.02 -0.14 -0.01 0.00 -0.77 0.00 0.00 57.85 56.95 1du4 n ARG 160 Cb 0.50 -2.19 -0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1du4 n ARG 160 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1du4 n GLY 161 N 0.74 0.41 0.81 -0.13 0.00 -1.26 -4.96 105.19 100.81 1du4 n GLY 161 Ca 0.09 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.16 1du4 n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1du4 n ASN 162 N 1.88 1.53 0.00 1.61 5.03 -1.26 -4.99 115.26 119.06 1du4 n ASN 162 Ca -0.01 -3.39 0.00 0.00 0.87 0.00 0.00 54.58 52.05 1du4 n ASN 162 Cb 0.16 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 1du4 n ASN 162 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1du4 n GLY 163 N -0.71 2.04 3.18 7.41 0.00 -1.26 -5.05 105.19 110.80 1du4 n GLY 163 Ca 0.15 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1du4 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1du4 s TYR 164 N -1.45 1.78 0.43 1.61 1.13 -1.26 -5.12 117.35 114.48 1du4 s TYR 164 Ca 0.00 -0.42 -0.24 0.00 -1.41 0.00 0.00 57.07 55.00 1du4 s TYR 164 Cb 0.00 -1.17 -0.08 0.00 -1.10 0.00 0.00 41.96 39.61 1du4 s TYR 164 CO 0.00 -0.10 1.17 -0.51 -2.51 0.00 0.00 175.55 173.61 1du4 s ASP 165 N -0.24 6.31 -0.29 -0.18 1.01 -1.26 -4.55 116.67 117.46 1du4 s ASP 165 Ca 0.02 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1du4 s ASP 165 Cb -0.09 -2.61 0.09 0.00 1.01 0.00 0.00 42.92 41.32 1du4 s ASP 165 CO 0.01 -0.82 0.06 -0.63 0.21 0.00 0.00 175.17 173.99 1du4 s ILE 166 N -1.49 1.24 0.40 0.77 1.01 0.35 -3.82 121.20 119.66 1du4 s ILE 166 Ca 0.61 -1.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1du4 s ILE 166 Cb -0.30 -1.84 -0.11 0.00 0.01 0.00 0.00 42.46 40.22 1du4 s ILE 166 CO 0.37 -0.53 0.92 -1.81 0.00 0.00 0.00 174.94 173.88 1du4 s ASP 167 N 1.46 6.95 -0.08 3.58 1.01 -0.80 -3.92 116.67 124.87 1du4 s ASP 167 Ca 0.07 1.64 0.03 0.00 0.71 0.00 0.00 52.55 55.00 1du4 s ASP 167 Cb -0.18 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.24 1du4 s ASP 167 CO -0.17 -0.31 -0.16 -0.69 0.21 0.00 0.00 175.17 174.05 1du4 s VAL 168 N -2.09 1.43 -0.21 -1.27 1.01 -0.02 0.97 120.40 120.22 1du4 s VAL 168 Ca 0.60 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1du4 s VAL 168 Cb -0.10 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.05 1du4 s VAL 168 CO 0.15 0.42 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 1du4 s PHE 169 N 0.57 2.67 0.01 5.22 0.40 0.58 0.28 117.98 127.71 1du4 s PHE 169 Ca -0.16 -1.75 0.05 0.00 -0.60 0.00 0.00 56.93 54.47 1du4 s PHE 169 Cb -0.16 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1du4 s PHE 169 CO 0.05 -0.78 -0.12 -1.54 0.70 0.00 0.00 175.22 173.53 1du4 s SER 170 N 1.31 4.20 -0.23 1.36 1.04 -0.71 -2.05 113.70 118.63 1du4 s SER 170 Ca -0.01 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1du4 s SER 170 Cb -0.16 -0.86 0.05 0.00 0.10 0.00 0.00 66.02 65.15 1du4 s SER 170 CO -0.09 0.28 -0.11 -0.31 0.98 0.00 0.00 173.24 174.00 1du4 s TYR 171 N -0.93 2.77 -1.03 5.02 1.51 -0.37 -0.45 117.35 123.87 1du4 s TYR 171 Ca 0.15 -1.90 0.00 0.00 -1.01 0.00 0.00 57.07 54.32 1du4 s TYR 171 Cb -0.11 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 39.97 1du4 s TYR 171 CO 0.06 -0.81 0.00 0.41 -1.11 0.00 0.00 175.55 174.10 1du4 n GLY 172 N 4.58 -0.04 3.77 0.71 0.00 -0.58 -0.49 105.19 113.14 1du4 n GLY 172 Ca -0.15 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1du4 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du4 s ALA 173 N -2.58 3.26 0.84 4.61 0.00 -1.26 -3.55 121.76 123.08 1du4 s ALA 173 Ca 0.00 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1du4 s ALA 173 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 1du4 s ALA 173 CO 0.00 -0.27 1.12 -1.25 0.00 0.00 0.00 175.76 175.37 1du4 s PRO 174 N -1.96 1.72 0.50 0.00 0.04 -1.26 -3.49 135.00 130.55 1du4 s PRO 174 Ca 0.51 0.42 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 1du4 s PRO 174 Cb -0.29 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1du4 s PRO 174 CO 0.37 -1.83 1.20 1.03 0.04 0.00 0.00 177.00 177.81 1du4 s ARG 175 N -5.27 3.49 0.00 4.56 0.52 -0.21 -4.84 118.95 117.19 1du4 s ARG 175 Ca 0.62 1.83 0.03 0.00 -0.52 0.00 0.00 55.73 57.70 1du4 s ARG 175 Cb -0.14 -2.25 0.04 0.00 0.52 0.00 0.00 34.95 33.11 1du4 s ARG 175 CO 0.53 -0.79 0.68 1.55 0.02 0.00 0.00 175.30 177.29 1du4 n VAL 176 N -0.85 0.16 -2.45 3.52 3.14 -1.26 -4.29 118.33 116.30 1du4 n VAL 176 Ca 0.09 -0.58 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1du4 n VAL 176 Cb 0.48 0.98 0.00 0.00 -1.06 0.00 0.00 33.84 34.24 1du4 n VAL 176 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1du4 n GLY 177 N 0.12 -0.58 2.90 7.55 0.00 -1.26 -1.95 105.19 111.97 1du4 n GLY 177 Ca 0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 1du4 n GLY 177 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1du4 n ASN 178 N 0.00 0.65 -0.18 1.61 0.23 -0.46 -1.81 115.26 115.30 1du4 n ASN 178 Ca 0.00 -1.66 -0.03 0.00 -0.53 0.00 0.00 54.58 52.35 1du4 n ASN 178 Cb 0.00 -0.59 0.07 0.00 -2.08 0.00 0.00 39.78 37.18 1du4 n ASN 178 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1du4 h ARG 179 N 0.00 0.51 -0.35 -3.83 9.65 -1.89 0.72 114.38 119.19 1du4 h ARG 179 Ca -0.28 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.65 1du4 h ARG 179 Cb 0.90 -0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.30 1du4 h ARG 179 CO 0.25 0.34 -0.13 0.00 2.80 0.00 0.00 179.97 183.23 1du4 h ALA 180 N 1.30 0.17 -0.11 2.80 0.00 -1.93 0.37 119.26 121.86 1du4 h ALA 180 Ca 0.25 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1du4 h ALA 180 Cb 0.17 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1du4 h ALA 180 CO -0.18 -0.50 -0.29 0.35 0.00 0.00 0.00 179.25 178.63 1du4 h PHE 181 N -0.06 0.24 -0.52 0.00 3.57 -1.56 -1.85 116.94 116.75 1du4 h PHE 181 Ca 0.18 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1du4 h PHE 181 Cb 0.33 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1du4 h PHE 181 CO -0.36 0.49 0.20 0.00 -2.23 0.00 0.00 178.31 176.41 1du4 h ALA 182 N 1.52 0.68 -0.39 2.41 0.00 0.96 -1.36 119.26 123.07 1du4 h ALA 182 Ca 0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1du4 h ALA 182 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1du4 h ALA 182 CO 0.04 0.31 -0.19 0.93 0.00 0.00 0.00 179.25 180.34 1du4 h GLU 183 N 0.71 0.75 -0.45 0.00 5.08 -0.82 -2.35 114.58 117.51 1du4 h GLU 183 Ca 0.17 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1du4 h GLU 183 Cb 0.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1du4 h GLU 183 CO -0.01 0.88 0.27 0.35 -1.00 0.00 0.00 179.01 179.50 1du4 h PHE 184 N 0.66 0.51 0.00 4.33 3.57 -0.75 -0.94 116.94 124.32 1du4 h PHE 184 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1du4 h PHE 184 Cb 0.68 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1du4 h PHE 184 CO 0.03 0.30 0.00 -0.07 -2.23 0.00 0.00 178.31 176.34 1du4 h LEU 185 N 0.54 0.00 0.11 0.59 3.38 -1.17 -2.59 115.31 116.18 1du4 h LEU 185 Ca 0.18 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.86 1du4 h LEU 185 Cb -0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 1du4 h LEU 185 CO -0.07 0.00 -1.20 0.74 0.09 0.00 0.00 178.44 178.00 1du4 h THR 186 N 0.00 1.29 -0.06 0.22 2.02 -0.63 -3.41 112.91 112.36 1du4 h THR 186 Ca 0.00 -2.44 -0.00 0.00 0.77 0.00 0.00 66.41 64.74 1du4 h THR 186 Cb 0.53 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1du4 h THR 186 CO 0.00 0.74 -0.03 0.55 0.37 0.00 0.00 175.52 177.15 1du4 n VAL 187 N -3.83 2.00 -2.71 3.16 3.14 -0.92 -4.92 118.33 114.25 1du4 n VAL 187 Ca -0.14 -2.26 -0.41 0.00 -2.96 0.00 0.00 64.34 58.58 1du4 n VAL 187 Cb 0.97 -0.25 -0.05 0.00 -1.06 0.00 0.00 33.84 33.45 1du4 n VAL 187 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1du4 s GLN 188 N -2.90 4.75 0.65 1.45 0.74 -0.99 -5.05 119.66 118.32 1du4 s GLN 188 Ca 0.35 1.50 0.04 0.00 0.05 0.00 0.00 55.36 57.29 1du4 s GLN 188 Cb 0.30 -3.32 0.11 0.00 1.10 0.00 0.00 33.01 31.20 1du4 s GLN 188 CO 0.03 0.33 0.90 0.95 -0.55 0.00 0.00 175.29 176.95 1du4 s THR 189 N -0.53 2.14 0.00 -0.34 -4.23 -1.26 -4.58 115.64 106.84 1du4 s THR 189 Ca 0.45 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1du4 s THR 189 Cb -0.25 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1du4 s THR 189 CO 0.31 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1du4 n GLY 190 N -2.57 0.68 0.00 3.99 0.00 -1.26 -4.74 105.19 101.29 1du4 n GLY 190 Ca 0.15 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1du4 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du4 n GLY 191 N -1.65 4.37 3.77 -0.02 0.00 -1.26 -0.50 105.19 109.91 1du4 n GLY 191 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 1du4 n GLY 191 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1du4 s THR 192 N -2.00 4.76 -0.26 2.61 2.01 -1.25 -4.91 115.64 116.59 1du4 s THR 192 Ca 0.00 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.72 1du4 s THR 192 Cb 0.00 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1du4 s THR 192 CO 0.00 0.50 0.07 -0.22 -0.69 0.00 0.00 174.62 174.28 1du4 s LEU 193 N -1.28 3.49 -0.43 4.42 2.96 -1.26 -0.84 118.68 125.73 1du4 s LEU 193 Ca 0.18 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1du4 s LEU 193 Cb -0.12 -1.91 0.11 0.00 0.50 0.00 0.00 46.19 44.77 1du4 s LEU 193 CO 0.08 -0.06 0.26 -0.31 -1.32 0.00 0.00 176.35 175.00 1du4 s TYR 194 N 1.60 3.50 -0.44 5.38 2.02 0.14 -4.83 117.35 124.72 1du4 s TYR 194 Ca 0.06 -2.12 -0.19 0.00 -0.37 0.00 0.00 57.07 54.45 1du4 s TYR 194 Cb -0.15 -3.29 0.03 0.00 -0.40 0.00 0.00 41.96 38.14 1du4 s TYR 194 CO 0.03 -0.97 0.55 0.50 -1.57 0.00 0.00 175.55 174.10 1du4 s ARG 195 N 1.26 3.19 -0.15 -0.62 3.52 -1.26 -1.74 118.95 123.14 1du4 s ARG 195 Ca 0.06 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1du4 s ARG 195 Cb -0.24 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.14 1du4 s ARG 195 CO -0.02 -0.96 0.04 0.42 -0.81 0.00 0.00 175.30 173.97 1du4 s ILE 196 N 2.51 4.57 0.28 4.11 1.01 0.41 -0.87 121.20 133.22 1du4 s ILE 196 Ca 0.18 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1du4 s ILE 196 Cb -0.16 -3.02 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 1du4 s ILE 196 CO 0.16 0.51 -0.07 0.42 0.00 0.00 0.00 174.94 175.97 1du4 s THR 197 N -0.03 1.72 -0.08 2.92 -4.23 0.03 -1.52 115.64 114.45 1du4 s THR 197 Ca 0.05 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1du4 s THR 197 Cb -0.12 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.29 1du4 s THR 197 CO 0.01 -0.30 -0.08 -2.28 -0.54 0.00 0.00 174.62 171.43 1du4 s HIS 198 N -2.96 1.24 0.00 3.99 2.46 -1.26 -0.77 115.29 118.00 1du4 s HIS 198 Ca 0.30 -0.51 0.00 0.00 0.47 0.00 0.00 55.06 55.32 1du4 s HIS 198 Cb 0.03 -1.02 0.00 0.00 -0.13 0.00 0.00 32.58 31.46 1du4 s HIS 198 CO 0.12 -0.35 0.00 0.25 -2.47 0.00 0.00 174.74 172.29 1du4 n THR 199 N 4.40 0.00 -1.53 0.89 -2.24 -0.09 -1.61 114.28 114.11 1du4 n THR 199 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1du4 n THR 199 Cb 0.51 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.93 1du4 n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1du4 n ASN 200 N 1.94 2.38 -4.64 3.42 6.94 -1.26 -4.36 115.26 119.68 1du4 n ASN 200 Ca 0.00 -3.83 -0.48 0.00 -0.02 0.00 0.00 54.58 50.25 1du4 n ASN 200 Cb 0.00 -0.60 -0.05 0.00 -2.36 0.00 0.00 39.78 36.78 1du4 n ASN 200 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1du4 n ASP 201 N -1.11 2.64 0.19 0.53 2.03 -0.63 -1.40 116.55 118.80 1du4 n ASP 201 Ca 0.30 1.10 0.04 0.00 0.52 0.00 0.00 54.79 56.74 1du4 n ASP 201 Cb 0.93 -1.36 0.39 0.00 -0.72 0.00 0.00 41.12 40.36 1du4 n ASP 201 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1du4 h ILE 202 N 3.50 1.18 -0.15 5.18 2.10 -1.81 -3.38 117.51 124.12 1du4 h ILE 202 Ca -0.46 -1.20 -0.03 0.00 1.08 0.00 0.00 64.86 64.25 1du4 h ILE 202 Cb 1.28 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 38.67 1du4 h ILE 202 CO 0.85 0.34 -0.02 0.58 -1.08 0.00 0.00 178.15 178.81 1du4 h VAL 203 N 0.00 1.28 0.00 2.19 2.07 -1.87 -1.88 116.25 118.03 1du4 h VAL 203 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1du4 h VAL 203 Cb 0.63 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1du4 h VAL 203 CO 0.04 0.28 0.00 -2.65 0.02 0.00 0.00 177.57 175.26 1du4 n PRO 204 N -4.71 0.04 -0.38 1.57 -0.02 -1.23 -1.71 135.00 128.56 1du4 n PRO 204 Ca -0.05 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 1du4 n PRO 204 Cb 0.24 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.48 1du4 n PRO 204 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1du4 n ARG 205 N -1.37 2.69 -3.93 -0.52 1.74 -0.71 -4.49 116.66 110.08 1du4 n ARG 205 Ca 0.02 -2.02 -0.10 0.00 -0.77 0.00 0.00 57.85 54.97 1du4 n ARG 205 Cb 0.05 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 29.78 1du4 n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1du4 s LEU 206 N -1.29 1.99 1.05 0.55 1.43 -0.70 -3.95 118.68 117.77 1du4 s LEU 206 Ca 0.37 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 1du4 s LEU 206 Cb 0.22 0.25 0.22 0.00 0.03 0.00 0.00 46.19 46.91 1du4 s LEU 206 CO 0.21 -0.26 1.08 -2.84 0.23 0.00 0.00 176.35 174.77 1du4 s PRO 207 N -1.12 -0.03 1.04 1.29 0.02 -1.26 -1.04 135.00 133.90 1du4 s PRO 207 Ca -0.12 1.15 -0.11 0.00 0.02 0.00 0.00 61.00 61.93 1du4 s PRO 207 Cb -0.07 -1.63 0.21 0.00 0.02 0.00 0.00 34.50 33.03 1du4 s PRO 207 CO -0.00 -3.22 1.06 -2.30 -0.33 0.00 0.00 177.00 172.21 1du4 n PRO 208 N -4.60 -1.43 0.27 5.54 -0.02 -1.25 -4.76 135.00 128.75 1du4 n PRO 208 Ca 0.07 -0.37 0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1du4 n PRO 208 Cb 0.53 -2.27 0.74 0.00 -0.02 0.00 0.00 33.50 32.49 1du4 n PRO 208 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du4 h ARG 209 N -2.28 0.00 -0.01 -0.52 2.47 -1.84 -1.98 114.38 110.22 1du4 h ARG 209 Ca -0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1du4 h ARG 209 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1du4 h ARG 209 CO 0.45 0.10 0.00 0.39 0.56 0.00 0.00 179.97 181.46 1du4 n GLU 210 N -3.42 1.04 -0.13 0.04 4.71 -1.26 -1.73 120.64 119.89 1du4 n GLU 210 Ca -0.01 -0.05 0.04 0.00 -0.01 0.00 0.00 57.16 57.13 1du4 n GLU 210 Cb 0.26 -1.19 0.11 0.00 -1.01 0.00 0.00 31.44 29.62 1du4 n GLU 210 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1du4 n PHE 211 N -0.63 0.34 -0.20 -0.32 3.01 -0.74 -4.97 117.46 113.95 1du4 n PHE 211 Ca 0.09 -0.49 0.00 0.00 1.01 0.00 0.00 57.45 58.06 1du4 n PHE 211 Cb 0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1du4 n PHE 211 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1du4 n GLY 212 N 0.27 1.42 3.72 1.37 0.00 -0.70 -4.89 105.19 106.38 1du4 n GLY 212 Ca 0.09 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1du4 n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1du4 s TYR 213 N -2.00 2.99 0.09 1.61 1.51 -1.22 -4.15 117.35 116.19 1du4 s TYR 213 Ca 0.00 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1du4 s TYR 213 Cb 0.00 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 1du4 s TYR 213 CO 0.00 0.51 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.75 1du4 s SER 214 N -2.78 1.19 -0.07 2.29 0.01 -0.75 -4.39 113.70 109.21 1du4 s SER 214 Ca 0.28 -0.91 -0.06 0.00 1.31 0.00 0.00 55.95 56.57 1du4 s SER 214 Cb -0.10 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1du4 s SER 214 CO 0.20 -0.39 0.18 -1.00 0.41 0.00 0.00 173.24 172.64 1du4 s HIS 215 N -3.10 3.59 0.95 2.43 3.76 -1.26 -4.44 115.29 117.22 1du4 s HIS 215 Ca 0.08 0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 55.39 1du4 s HIS 215 Cb 0.02 -1.94 0.16 0.00 1.11 0.00 0.00 32.58 31.93 1du4 s HIS 215 CO -0.03 0.70 1.09 -1.54 -0.85 0.00 0.00 174.74 174.11 1du4 s SER 216 N -1.33 2.85 0.07 1.40 1.04 -1.26 -3.39 113.70 113.08 1du4 s SER 216 Ca 0.20 1.71 0.09 0.00 0.48 0.00 0.00 55.95 58.43 1du4 s SER 216 Cb -0.13 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1du4 s SER 216 CO 0.10 -3.06 -0.25 -0.55 0.98 0.00 0.00 173.24 170.45 1du4 s SER 217 N -3.02 2.98 0.20 7.02 0.15 -1.26 -4.67 113.70 115.10 1du4 s SER 217 Ca 0.65 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1du4 s SER 217 Cb -0.21 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1du4 s SER 217 CO 0.59 0.20 0.00 -0.81 1.20 0.00 0.00 173.24 174.41 1du4 n PRO 218 N 1.51 1.35 -4.95 5.44 -0.04 -1.26 -4.37 135.00 132.67 1du4 n PRO 218 Ca -0.17 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.02 1du4 n PRO 218 Cb 0.53 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.83 1du4 n PRO 218 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1du4 s GLU 219 N -0.52 1.62 -0.38 0.54 2.12 0.02 -4.36 118.70 117.75 1du4 s GLU 219 Ca 0.00 -0.69 -0.01 0.00 0.36 0.00 0.00 54.97 54.62 1du4 s GLU 219 Cb 0.00 -1.55 0.10 0.00 0.26 0.00 0.00 34.13 32.94 1du4 s GLU 219 CO 0.00 0.40 0.14 0.71 -0.54 0.00 0.00 175.26 175.97 1du4 s TYR 220 N -0.41 3.59 -0.25 5.30 2.02 -0.05 -0.52 117.35 127.03 1du4 s TYR 220 Ca 0.06 -2.50 -0.13 0.00 -0.37 0.00 0.00 57.07 54.13 1du4 s TYR 220 Cb -0.08 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1du4 s TYR 220 CO -0.00 -0.95 0.29 -0.46 -1.57 0.00 0.00 175.55 172.86 1du4 s TRP 221 N 1.09 3.27 -0.32 2.71 -0.00 0.12 -0.79 118.94 125.03 1du4 s TRP 221 Ca 0.07 0.33 -0.22 0.00 -0.00 0.00 0.00 56.10 56.28 1du4 s TRP 221 Cb -0.21 -2.45 0.00 0.00 -0.00 0.00 0.00 33.47 30.80 1du4 s TRP 221 CO -0.05 -0.12 0.74 0.42 -0.00 0.00 0.00 176.95 177.95 1du4 s ILE 222 N 1.66 4.82 -0.13 5.86 1.01 0.06 -0.39 121.20 134.08 1du4 s ILE 222 Ca 0.12 1.00 0.18 0.00 0.00 0.00 0.00 60.65 61.95 1du4 s ILE 222 Cb -0.15 -4.12 -0.14 0.00 0.01 0.00 0.00 42.46 38.06 1du4 s ILE 222 CO 0.09 -0.27 0.78 0.29 0.00 0.00 0.00 174.94 175.83 1du4 n LYS 223 N 6.16 0.62 -1.77 2.79 5.02 0.57 -0.91 118.16 130.65 1du4 n LYS 223 Ca 0.02 0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 56.07 1du4 n LYS 223 Cb 0.48 -1.78 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1du4 n LYS 223 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1du4 n SER 224 N -2.82 3.87 -4.69 4.39 3.41 -1.26 -4.82 113.62 111.69 1du4 n SER 224 Ca -0.10 1.20 -0.32 0.00 -0.26 0.00 0.00 58.87 59.40 1du4 n SER 224 Cb 0.81 -1.62 0.15 0.00 -0.26 0.00 0.00 64.21 63.29 1du4 n SER 224 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1du4 s GLY 225 N 0.10 1.81 0.20 5.00 0.00 -1.26 -4.73 107.32 108.44 1du4 s GLY 225 Ca 0.57 0.62 -0.31 0.00 0.00 0.00 0.00 44.72 45.60 1du4 s GLY 225 CO 0.59 1.03 1.03 2.41 0.00 0.00 0.00 173.10 178.16 1du4 n THR 226 N -3.91 1.32 -0.92 0.90 -1.04 -1.26 -1.83 114.28 107.54 1du4 n THR 226 Ca 0.12 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1du4 n THR 226 Cb 0.52 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1du4 n THR 226 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1du4 n LEU 227 N 1.76 0.25 -4.49 -4.42 4.77 -1.26 -5.01 117.00 108.60 1du4 n LEU 227 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 1du4 n LEU 227 Cb 0.26 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 1du4 n LEU 227 CO 0.60 -0.17 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.42 1du4 s VAL 228 N -2.69 3.71 0.58 4.08 1.01 -0.76 -5.08 120.40 121.26 1du4 s VAL 228 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1du4 s VAL 228 Cb 0.00 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1du4 s VAL 228 CO 0.00 0.52 1.05 -0.81 0.00 0.00 0.00 175.10 175.86 1du4 n PRO 229 N 3.32 1.08 -3.67 2.72 -0.04 -1.26 -4.82 135.00 132.33 1du4 n PRO 229 Ca -0.18 0.41 -0.37 0.00 -0.04 0.00 0.00 63.50 63.33 1du4 n PRO 229 Cb 0.53 -2.24 -0.07 0.00 -0.04 0.00 0.00 33.50 31.68 1du4 n PRO 229 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1du4 s VAL 230 N -1.45 5.33 0.33 0.52 1.01 -1.26 -4.94 120.40 119.94 1du4 s VAL 230 Ca 0.74 0.44 0.08 0.00 0.00 0.00 0.00 61.98 63.25 1du4 s VAL 230 Cb -0.43 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1du4 s VAL 230 CO 0.48 0.50 0.11 0.42 0.00 0.00 0.00 175.10 176.61 1du4 s THR 231 N -0.30 3.09 0.41 3.92 -4.23 -1.26 -5.02 115.64 112.25 1du4 s THR 231 Ca 0.16 -1.74 0.38 0.00 -1.18 0.00 0.00 61.69 59.30 1du4 s THR 231 Cb -0.13 -2.96 0.40 0.00 1.34 0.00 0.00 72.50 71.16 1du4 s THR 231 CO 0.05 -0.22 2.17 0.08 -0.54 0.00 0.00 174.62 176.17 1du4 h ARG 232 N 1.62 0.00 0.00 3.99 0.11 -1.95 -0.38 114.38 117.77 1du4 h ARG 232 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1du4 h ARG 232 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1du4 h ARG 232 CO 0.63 0.02 -0.11 0.09 0.10 0.00 0.00 179.97 180.70 1du4 n ASN 233 N -3.18 0.11 -0.29 0.08 4.13 -1.26 -2.21 115.26 112.64 1du4 n ASN 233 Ca -0.01 0.34 0.13 0.00 1.68 0.00 0.00 54.58 56.72 1du4 n ASN 233 Cb 0.19 -0.34 0.38 0.00 -1.54 0.00 0.00 39.78 38.47 1du4 n ASN 233 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1du4 n ASP 234 N -1.51 1.12 -4.40 6.41 8.00 -0.15 -4.51 116.55 121.50 1du4 n ASP 234 Ca 0.07 -0.99 -0.36 0.00 0.71 0.00 0.00 54.79 54.22 1du4 n ASP 234 Cb 0.34 0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.44 1du4 n ASP 234 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1du4 s ILE 235 N -2.43 4.07 -0.07 0.53 1.01 -1.22 -0.31 121.20 122.78 1du4 s ILE 235 Ca 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1du4 s ILE 235 Cb 0.19 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1du4 s ILE 235 CO 0.50 0.32 -0.05 -0.69 0.00 0.00 0.00 174.94 175.01 1du4 s VAL 236 N 1.57 3.88 -0.54 2.92 1.01 0.47 -3.68 120.40 126.03 1du4 s VAL 236 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 1du4 s VAL 236 Cb -0.15 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.73 1du4 s VAL 236 CO 0.02 0.60 0.56 -0.75 0.00 0.00 0.00 175.10 175.53 1du4 s LYS 237 N -0.81 3.03 -0.29 2.72 2.20 -1.26 0.13 119.74 125.46 1du4 s LYS 237 Ca 0.12 -1.39 -0.14 0.00 -0.36 0.00 0.00 55.97 54.20 1du4 s LYS 237 Cb -0.11 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.95 1du4 s LYS 237 CO 0.02 -1.32 0.34 0.42 -0.36 0.00 0.00 175.35 174.45 1du4 s ILE 238 N 2.12 5.19 0.05 5.43 1.01 0.32 -4.96 121.20 130.36 1du4 s ILE 238 Ca 0.08 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 1du4 s ILE 238 Cb -0.25 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1du4 s ILE 238 CO 0.06 0.11 0.21 -1.61 0.00 0.00 0.00 174.94 173.71 1du4 s GLU 239 N 2.01 3.45 0.00 2.79 0.41 -1.26 -0.80 118.70 125.30 1du4 s GLU 239 Ca 0.13 -0.40 0.00 0.00 -0.41 0.00 0.00 54.97 54.28 1du4 s GLU 239 Cb -0.16 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 1du4 s GLU 239 CO 0.11 0.62 0.00 0.41 -0.49 0.00 0.00 175.26 175.90 1du4 n GLY 240 N 0.41 3.42 3.68 -1.39 0.00 -1.26 -4.76 105.19 105.28 1du4 n GLY 240 Ca -0.06 -1.23 -0.44 0.00 0.00 0.00 0.00 46.02 44.29 1du4 n GLY 240 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1du4 n ILE 241 N 0.44 0.45 -1.85 -0.61 5.41 -1.26 -1.62 119.36 120.32 1du4 n ILE 241 Ca 0.00 -0.08 -0.14 0.00 1.00 0.00 0.00 62.75 63.52 1du4 n ILE 241 Cb 0.00 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 36.87 1du4 n ILE 241 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1du4 n ASP 242 N 5.98 -4.57 -4.61 4.38 8.00 -1.22 -4.94 116.55 119.57 1du4 n ASP 242 Ca 0.19 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.48 1du4 n ASP 242 Cb 0.35 -3.53 0.04 0.00 -0.02 0.00 0.00 41.12 37.96 1du4 n ASP 242 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du4 n ALA 243 N -0.23 0.15 0.71 2.24 0.00 -0.64 -4.96 120.51 117.78 1du4 n ALA 243 Ca -0.16 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.45 1du4 n ALA 243 Cb 0.55 -2.09 0.11 0.00 0.00 0.00 0.00 19.45 18.02 1du4 n ALA 243 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1du4 n THR 244 N -1.34 0.12 1.00 0.00 -2.24 -1.26 -4.49 114.28 106.06 1du4 n THR 244 Ca 0.12 -0.56 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1du4 n THR 244 Cb 0.45 1.31 0.48 0.00 -2.10 0.00 0.00 70.33 70.47 1du4 n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1du4 n GLY 245 N 1.16 -1.40 0.00 3.38 0.00 -1.26 -4.19 105.19 102.88 1du4 n GLY 245 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1du4 n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du4 n GLY 246 N 1.50 0.49 0.20 -0.02 0.00 -1.26 -4.96 105.19 101.14 1du4 n GLY 246 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1du4 n GLY 246 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1du4 h ASN 247 N 0.00 0.46 -0.35 1.61 -0.73 -1.87 -3.37 115.58 111.32 1du4 h ASN 247 Ca 0.00 -0.23 -0.71 0.00 1.87 0.00 0.00 56.30 57.24 1du4 h ASN 247 Cb 0.00 -0.13 -0.06 0.00 0.27 0.00 0.00 38.32 38.40 1du4 h ASN 247 CO 0.00 0.88 2.80 -3.20 -0.37 0.00 0.00 177.43 177.54 1du4 n ASN 248 N -3.97 4.24 -4.44 1.15 5.15 -1.26 -4.87 115.26 111.27 1du4 n ASN 248 Ca -0.02 -2.88 -0.24 0.00 -0.60 0.00 0.00 54.58 50.83 1du4 n ASN 248 Cb 0.56 -1.67 -0.11 0.00 -0.53 0.00 0.00 39.78 38.04 1du4 n ASN 248 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1du4 s GLN 249 N 3.25 1.57 -1.14 1.20 -0.21 -1.26 -4.26 119.66 118.82 1du4 s GLN 249 Ca 0.48 -1.66 -0.12 0.00 0.02 0.00 0.00 55.36 54.08 1du4 s GLN 249 Cb 0.11 -1.71 0.22 0.00 1.00 0.00 0.00 33.01 32.63 1du4 s GLN 249 CO -0.04 0.33 1.26 -1.25 -2.12 0.00 0.00 175.29 173.47 1du4 s PRO 250 N -3.22 4.10 0.29 2.91 0.04 -1.26 -4.94 135.00 132.92 1du4 s PRO 250 Ca 0.26 -2.82 -0.00 0.00 0.04 0.00 0.00 61.00 58.47 1du4 s PRO 250 Cb -0.06 -4.81 -0.02 0.00 0.04 0.00 0.00 34.50 29.65 1du4 s PRO 250 CO 0.12 -1.52 0.32 0.54 0.04 0.00 0.00 177.00 176.50 1du4 s ASN 251 N 2.18 0.81 -0.01 6.66 2.20 -1.26 -5.12 114.94 120.41 1du4 s ASN 251 Ca 0.36 -1.47 -0.28 0.00 -0.94 0.00 0.00 52.86 50.53 1du4 s ASN 251 Cb -0.06 0.54 -0.03 0.00 -2.00 0.00 0.00 41.25 39.70 1du4 s ASN 251 CO -0.04 -1.08 0.90 0.27 -2.94 0.00 0.00 177.10 174.20 1du4 s ILE 252 N -3.59 4.90 0.66 0.54 -5.25 -1.26 -5.03 121.20 112.17 1du4 s ILE 252 Ca 0.35 1.88 -0.05 0.00 -0.99 0.00 0.00 60.65 61.84 1du4 s ILE 252 Cb 0.02 -4.24 0.05 0.00 2.95 0.00 0.00 42.46 41.24 1du4 s ILE 252 CO 0.19 0.20 0.96 -2.16 -1.79 0.00 0.00 174.94 172.33 1du4 s PRO 253 N 0.88 2.40 0.13 0.37 0.04 -1.26 -4.98 135.00 132.58 1du4 s PRO 253 Ca 0.48 -0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.26 1du4 s PRO 253 Cb -0.20 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 1du4 s PRO 253 CO 0.25 -1.05 -0.02 0.34 0.04 0.00 0.00 177.00 176.56 1du4 s ASP 254 N -4.46 1.06 -0.14 6.66 2.15 -0.49 -4.89 116.67 116.56 1du4 s ASP 254 Ca 0.58 -1.10 -0.06 0.00 0.43 0.00 0.00 52.55 52.41 1du4 s ASP 254 Cb -0.11 0.13 -0.25 0.00 -0.30 0.00 0.00 42.92 42.39 1du4 s ASP 254 CO 0.44 -0.54 0.28 -0.38 -0.17 0.00 0.00 175.17 174.80 1du4 n ILE 255 N -0.13 1.74 -0.17 4.11 5.41 -1.26 -2.38 119.36 126.68 1du4 n ILE 255 Ca -0.09 -0.64 0.21 0.00 1.00 0.00 0.00 62.75 63.22 1du4 n ILE 255 Cb 0.62 -1.69 0.59 0.00 -0.71 0.00 0.00 39.64 38.45 1du4 n ILE 255 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1du4 h PRO 256 N 0.06 0.23 0.00 0.38 0.11 -1.98 0.84 132.00 131.64 1du4 h PRO 256 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1du4 h PRO 256 Cb 2.02 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 33.07 1du4 h PRO 256 CO 0.06 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.01 1du4 n ALA 257 N -2.59 1.78 0.19 -0.75 0.00 -1.26 -1.80 120.51 116.08 1du4 n ALA 257 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1du4 n ALA 257 Cb 0.71 -1.32 0.23 0.00 0.00 0.00 0.00 19.45 19.07 1du4 n ALA 257 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1du4 h HIS 258 N 0.00 0.00 -0.61 0.00 6.17 0.52 -3.26 115.15 117.97 1du4 h HIS 258 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1du4 h HIS 258 Cb 0.34 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.27 1du4 h HIS 258 CO 0.00 0.31 0.00 1.28 0.71 0.00 0.00 177.93 180.23 1du4 n LEU 259 N -3.27 3.89 -3.88 0.26 4.77 -0.75 -4.75 117.00 113.27 1du4 n LEU 259 Ca 0.02 -2.13 -0.30 0.00 -0.03 0.00 0.00 56.01 53.57 1du4 n LEU 259 Cb 0.58 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 1du4 n LEU 259 CO 0.37 0.88 -0.21 0.86 -1.33 0.00 0.00 177.39 177.96 1du4 s TRP 260 N -1.23 2.81 -0.50 -1.77 -0.11 -1.23 -2.23 118.94 114.68 1du4 s TRP 260 Ca 0.43 -2.91 0.03 0.00 1.22 0.00 0.00 56.10 54.87 1du4 s TRP 260 Cb 0.24 -2.52 0.15 0.00 -1.50 0.00 0.00 33.47 29.84 1du4 s TRP 260 CO 0.27 -0.76 0.31 0.71 -4.62 0.00 0.00 176.95 172.85 1du4 s TYR 261 N -0.01 2.40 0.00 5.86 1.51 -1.26 -4.84 117.35 121.01 1du4 s TYR 261 Ca 0.17 -2.72 0.00 0.00 -1.01 0.00 0.00 57.07 53.50 1du4 s TYR 261 Cb -0.25 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1du4 s TYR 261 CO -0.01 -0.73 0.00 1.19 -1.11 0.00 0.00 175.55 174.89 1du4 n PHE 262 N 3.07 0.00 -2.47 2.71 3.72 -1.26 -4.67 117.46 118.56 1du4 n PHE 262 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1du4 n PHE 262 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1du4 n PHE 262 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1du4 n GLY 263 N 0.00 2.41 3.71 1.37 0.00 -1.26 -4.59 105.19 106.84 1du4 n GLY 263 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1du4 n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1du4 s LEU 264 N 0.00 4.38 -0.01 0.99 2.96 -1.26 -4.08 118.68 121.66 1du4 s LEU 264 Ca 0.00 1.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1du4 s LEU 264 Cb 0.00 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1du4 s LEU 264 CO 0.00 -0.31 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.20 1du4 s ILE 265 N 0.98 0.08 0.00 6.68 2.07 -0.95 -4.87 121.20 125.19 1du4 s ILE 265 Ca 0.54 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.77 1du4 s ILE 265 Cb -0.24 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.25 1du4 s ILE 265 CO 0.28 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.97 1du4 n GLY 266 N 3.29 0.85 0.00 1.50 0.00 -1.26 -4.54 105.19 105.03 1du4 n GLY 266 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1du4 n GLY 266 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1du4 n THR 267 N -2.29 0.00 -1.64 2.61 -2.24 -1.26 -4.93 114.28 104.53 1du4 n THR 267 Ca 0.00 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.26 1du4 n THR 267 Cb 0.00 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 67.74 1du4 n THR 267 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50