#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 2.70 1.18 3.84 -7.23 -0.99 -4.65 120.40 115.25 1du4 s VAL 2 Ca 0.00 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 58.72 1du4 s VAL 2 Cb 0.00 -2.15 0.29 0.00 0.56 0.00 0.00 36.38 35.07 1du4 s VAL 2 CO 0.00 0.27 1.02 -0.94 -0.31 0.00 0.00 175.10 175.15 1du4 s SER 3 N -1.61 0.90 0.21 4.85 1.04 -1.26 -4.72 113.70 113.11 1du4 s SER 3 Ca 0.15 1.38 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1du4 s SER 3 Cb -0.10 -2.14 0.17 0.00 0.10 0.00 0.00 66.02 64.05 1du4 s SER 3 CO 0.06 -4.23 1.50 -0.61 0.98 0.00 0.00 173.24 170.95 1du4 h GLN 4 N -2.64 0.25 -0.41 4.02 5.75 -1.99 -2.43 115.11 117.67 1du4 h GLN 4 Ca -0.61 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 57.59 1du4 h GLN 4 Cb 1.34 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.91 1du4 h GLN 4 CO 0.50 0.83 -0.19 0.22 -2.65 0.00 0.00 178.83 177.55 1du4 h ASP 5 N 0.18 0.79 0.31 -0.69 3.58 -1.99 0.07 116.42 118.67 1du4 h ASP 5 Ca -0.02 -0.27 -0.27 0.00 0.42 0.00 0.00 57.03 56.89 1du4 h ASP 5 Cb 1.22 -0.22 0.02 0.00 1.72 0.00 0.00 39.33 42.07 1du4 h ASP 5 CO 0.11 0.97 -1.16 0.25 -2.88 0.00 0.00 179.24 176.52 1du4 h LEU 6 N 0.69 0.67 0.00 2.28 5.85 -1.94 -1.88 115.31 120.98 1du4 h LEU 6 Ca 0.10 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.22 1du4 h LEU 6 Cb 0.70 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1du4 h LEU 6 CO 0.05 1.44 -0.11 0.15 -0.34 0.00 0.00 178.44 179.63 1du4 h PHE 7 N 0.21 -0.28 -0.21 1.25 3.57 -1.38 0.26 116.94 120.37 1du4 h PHE 7 Ca -0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1du4 h PHE 7 Cb 1.84 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 1du4 h PHE 7 CO 0.09 -0.17 0.07 -0.91 -2.23 0.00 0.00 178.31 175.16 1du4 h ASN 8 N -0.19 0.26 -0.26 0.41 2.35 -0.77 -0.72 115.58 116.66 1du4 h ASN 8 Ca 0.04 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1du4 h ASN 8 Cb 0.24 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1du4 h ASN 8 CO -0.11 0.25 -0.18 1.56 -1.65 0.00 0.00 177.43 177.30 1du4 h GLN 9 N 0.30 0.58 -0.19 0.81 4.20 -0.59 -2.09 115.11 118.13 1du4 h GLN 9 Ca 0.07 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.55 1du4 h GLN 9 Cb 0.09 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1du4 h GLN 9 CO -0.01 0.86 -0.07 0.74 -0.67 0.00 0.00 178.83 179.69 1du4 h PHE 10 N 0.31 -0.16 -0.59 2.96 -1.00 0.42 -0.77 116.94 118.10 1du4 h PHE 10 Ca 0.05 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.95 1du4 h PHE 10 Cb 0.72 0.10 -0.08 0.00 3.61 0.00 0.00 35.95 40.30 1du4 h PHE 10 CO 0.07 -0.11 0.16 -0.97 -1.61 0.00 0.00 178.31 175.85 1du4 h ASN 11 N -0.04 0.09 -0.25 2.17 -1.24 -1.25 -1.83 115.58 113.22 1du4 h ASN 11 Ca 0.10 0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.10 1du4 h ASN 11 Cb 0.19 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.34 1du4 h ASN 11 CO -0.22 0.06 -0.25 0.25 -1.29 0.00 0.00 177.43 175.98 1du4 h LEU 12 N 0.31 0.66 -0.63 0.34 5.85 -0.75 -2.99 115.31 118.10 1du4 h LEU 12 Ca 0.30 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1du4 h LEU 12 Cb 0.42 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1du4 h LEU 12 CO -0.36 1.00 0.00 -0.26 -0.34 0.00 0.00 178.44 178.48 1du4 h PHE 13 N 0.33 0.00 -0.00 1.25 0.04 -1.03 -1.65 116.94 115.88 1du4 h PHE 13 Ca 0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 1du4 h PHE 13 Cb 0.81 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.94 1du4 h PHE 13 CO 0.07 0.00 -0.59 0.00 -0.60 0.00 0.00 178.31 177.19 1du4 h ALA 14 N 2.09 1.02 0.11 2.45 0.00 -1.26 -0.09 119.26 123.59 1du4 h ALA 14 Ca 0.00 -0.54 -0.27 0.00 0.00 0.00 0.00 54.91 54.10 1du4 h ALA 14 Cb 0.71 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1du4 h ALA 14 CO 0.00 0.74 -1.19 1.96 0.00 0.00 0.00 179.25 180.76 1du4 h GLN 15 N 0.00 0.41 -0.87 0.00 4.20 -1.26 0.16 115.11 117.74 1du4 h GLN 15 Ca -0.01 -0.58 -0.01 0.00 0.06 0.00 0.00 58.65 58.11 1du4 h GLN 15 Cb 1.05 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 1du4 h GLN 15 CO 0.08 1.24 0.49 1.88 -0.67 0.00 0.00 178.83 181.85 1du4 h TYR 16 N 0.16 1.19 -0.32 2.96 0.05 -1.14 0.19 116.97 120.06 1du4 h TYR 16 Ca -0.14 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.53 1du4 h TYR 16 Cb 1.88 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 39.23 1du4 h TYR 16 CO 0.08 0.82 -0.11 0.77 -1.05 0.00 0.00 178.16 178.67 1du4 h SER 17 N 1.22 0.65 -0.50 3.88 0.02 -0.85 -3.11 113.55 114.86 1du4 h SER 17 Ca 0.31 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1du4 h SER 17 Cb 0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1du4 h SER 17 CO -0.05 0.88 0.33 0.00 -1.14 0.00 0.00 176.83 176.86 1du4 h ALA 18 N 0.79 0.63 -0.97 3.77 0.00 0.06 -2.38 119.26 121.16 1du4 h ALA 18 Ca 0.08 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.17 1du4 h ALA 18 Cb 0.62 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1du4 h ALA 18 CO 0.04 0.08 0.62 0.00 0.00 0.00 0.00 179.25 179.99 1du4 h ALA 19 N 1.18 2.12 -0.15 0.00 0.00 -0.60 0.85 119.26 122.66 1du4 h ALA 19 Ca 0.18 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1du4 h ALA 19 Cb -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1du4 h ALA 19 CO -0.04 -0.45 0.14 0.00 0.00 0.00 0.00 179.25 178.89 1du4 h ALA 20 N 1.61 1.91 -0.22 0.00 0.00 -1.36 -0.50 119.26 120.71 1du4 h ALA 20 Ca 0.53 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.29 1du4 h ALA 20 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1du4 h ALA 20 CO -0.25 -0.22 -0.46 1.88 0.00 0.00 0.00 179.25 180.21 1du4 h TYR 21 N 0.00 0.68 -2.40 0.00 0.05 -0.95 -3.43 116.97 110.92 1du4 h TYR 21 Ca 0.07 -0.21 -0.56 0.00 0.05 0.00 0.00 58.73 58.08 1du4 h TYR 21 Cb 0.35 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.95 1du4 h TYR 21 CO 0.00 0.92 1.27 0.00 -1.05 0.00 0.00 178.16 179.29 1du4 h GLY 23 N 12.21 1.06 2.00 0.00 0.00 -1.79 0.29 103.07 116.83 1du4 h GLY 23 Ca -0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1du4 h GLY 23 CO 0.97 -0.15 -0.03 1.70 0.00 0.00 0.00 176.54 179.03 1du4 h LYS 24 N 0.31 0.00 -0.34 4.80 3.64 -1.88 -1.90 116.57 121.20 1du4 h LYS 24 Ca 0.61 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1du4 h LYS 24 Cb 1.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1du4 h LYS 24 CO -0.27 0.03 0.00 0.09 -2.27 0.00 0.00 179.45 177.03 1du4 n ASN 25 N -3.28 2.22 -0.12 4.20 3.02 0.10 -4.06 115.26 117.33 1du4 n ASN 25 Ca -0.02 -1.90 0.07 0.00 -0.03 0.00 0.00 54.58 52.70 1du4 n ASN 25 Cb 0.16 -0.22 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.70 1.01 -2.93 6.41 5.03 -0.71 -4.54 115.26 120.22 1du4 n ASN 26 Ca 0.16 -1.01 -0.13 0.00 0.87 0.00 0.00 54.58 54.47 1du4 n ASN 26 Cb 0.38 0.82 0.04 0.00 -1.02 0.00 0.00 39.78 39.99 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 -0.93 -0.70 -4.56 6.41 10.43 -1.25 -2.57 116.55 123.37 1du4 n ASP 27 Ca 0.04 -3.27 -0.28 0.00 2.57 0.00 0.00 54.79 53.85 1du4 n ASP 27 Cb 0.27 0.61 -0.10 0.00 1.84 0.00 0.00 41.12 43.74 1du4 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1du4 s ALA 28 N -1.12 2.92 0.34 2.24 0.00 -1.26 -5.00 121.76 119.88 1du4 s ALA 28 Ca 0.30 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 1du4 s ALA 28 Cb 0.33 -0.78 -0.11 0.00 0.00 0.00 0.00 23.12 22.56 1du4 s ALA 28 CO -0.06 0.54 1.42 -2.14 0.00 0.00 0.00 175.76 175.53 1du4 s PRO 29 N -2.53 4.21 0.50 0.00 0.02 -1.26 -4.56 135.00 131.38 1du4 s PRO 29 Ca 0.23 2.42 -0.23 0.00 0.02 0.00 0.00 61.00 63.43 1du4 s PRO 29 Cb -0.10 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 1du4 s PRO 29 CO 0.14 -0.40 1.40 0.00 -0.33 0.00 0.00 177.00 177.81 1du4 s ALA 30 N -0.97 3.03 0.00 -1.55 0.00 -1.26 -2.41 121.76 118.60 1du4 s ALA 30 Ca 0.52 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1du4 s ALA 30 Cb -0.44 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.10 1du4 s ALA 30 CO 0.57 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1du4 n GLY 31 N 0.65 2.94 3.74 0.00 0.00 -0.50 -4.96 105.19 107.06 1du4 n GLY 31 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1du4 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1du4 s THR 32 N -2.42 2.73 0.09 2.61 2.01 -1.01 -4.64 115.64 115.02 1du4 s THR 32 Ca 0.00 0.35 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 1du4 s THR 32 Cb 0.00 -2.88 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1du4 s THR 32 CO 0.00 -0.20 0.55 0.54 -0.69 0.00 0.00 174.62 174.82 1du4 s ASN 33 N -2.30 6.96 -0.30 3.53 6.03 -1.26 -0.65 114.94 126.95 1du4 s ASN 33 Ca 0.71 1.18 -0.27 0.00 -1.03 0.00 0.00 52.86 53.44 1du4 s ASN 33 Cb -0.25 -2.33 0.01 0.00 -3.03 0.00 0.00 41.25 35.65 1du4 s ASN 33 CO 0.44 0.22 0.98 -0.63 -2.03 0.00 0.00 177.10 176.08 1du4 s ILE 34 N -1.23 4.62 0.21 0.54 1.01 0.01 -4.90 121.20 121.47 1du4 s ILE 34 Ca 0.31 1.62 0.09 0.00 0.00 0.00 0.00 60.65 62.67 1du4 s ILE 34 Cb -0.18 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1du4 s ILE 34 CO 0.18 -0.36 -0.18 0.42 0.00 0.00 0.00 174.94 175.01 1du4 s THR 35 N 3.37 1.99 0.00 2.92 -4.23 -1.26 -4.47 115.64 113.96 1du4 s THR 35 Ca 0.41 -2.17 0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1du4 s THR 35 Cb -0.13 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 1du4 s THR 35 CO 0.13 -0.44 -0.15 0.00 -0.54 0.00 0.00 174.62 173.62 1du4 s THR 37 N -0.46 4.58 0.00 0.00 -4.23 -1.26 -3.99 115.64 110.28 1du4 s THR 37 Ca 0.05 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1du4 s THR 37 Cb -0.06 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1du4 s THR 37 CO -0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1du4 n GLY 38 N -0.49 0.43 3.78 3.99 0.00 -1.26 -3.62 105.19 108.03 1du4 n GLY 38 Ca 0.05 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 1.84 -2.14 -0.73 1.61 4.13 -1.26 -4.91 115.26 113.80 1du4 n ASN 39 Ca 0.00 -0.82 0.08 0.00 1.68 0.00 0.00 54.58 55.52 1du4 n ASN 39 Cb 0.02 -3.94 0.12 0.00 -1.54 0.00 0.00 39.78 34.43 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 -4.40 2.40 -2.74 5.41 0.00 -1.24 -4.53 120.51 115.41 1du4 n ALA 40 Ca -0.20 -0.81 -0.09 0.00 0.00 0.00 0.00 53.44 52.33 1du4 n ALA 40 Cb 0.64 -0.57 0.09 0.00 0.00 0.00 0.00 19.45 19.60 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 2.51 1.03 -0.14 0.00 0.13 -1.94 -2.26 132.00 131.32 1du4 h PRO 42 Ca -0.17 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1du4 h PRO 42 Cb 1.20 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1du4 h PRO 42 CO 0.12 0.68 -0.22 0.93 -0.23 0.00 0.00 178.00 179.28 1du4 h GLU 43 N 1.06 0.25 -0.14 0.86 4.39 -1.96 0.18 114.58 119.21 1du4 h GLU 43 Ca 0.33 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.80 1du4 h GLU 43 Cb 0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1du4 h GLU 43 CO -0.10 0.46 -0.59 0.28 -1.16 0.00 0.00 179.01 177.90 1du4 h VAL 44 N 0.23 1.34 0.00 3.13 2.07 -1.77 -3.10 116.25 118.15 1du4 h VAL 44 Ca 0.04 -1.89 -0.19 0.00 0.82 0.00 0.00 66.70 65.48 1du4 h VAL 44 Cb 0.52 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1du4 h VAL 44 CO 0.04 0.58 -0.87 -0.33 0.02 0.00 0.00 177.57 177.01 1du4 h GLU 45 N 0.35 0.14 -0.59 1.57 5.08 -0.90 -3.07 114.58 117.16 1du4 h GLU 45 Ca -0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1du4 h GLU 45 Cb 1.13 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1du4 h GLU 45 CO 0.11 0.92 0.19 -0.22 -1.00 0.00 0.00 179.01 179.01 1du4 h LYS 46 N 0.07 0.89 -7.41 2.33 3.64 -0.97 -3.44 116.57 111.68 1du4 h LYS 46 Ca -0.03 -0.16 -0.45 0.00 -1.27 0.00 0.00 60.65 58.74 1du4 h LYS 46 Cb 1.50 -0.14 0.16 0.00 -0.41 0.00 0.00 32.23 33.33 1du4 h LYS 46 CO 0.13 0.76 0.21 0.00 -2.27 0.00 0.00 179.45 178.28 1du4 s ALA 47 N -5.32 1.09 -1.43 5.00 0.00 -1.16 -4.91 121.76 115.03 1du4 s ALA 47 Ca -0.10 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 1du4 s ALA 47 Cb 0.16 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.27 1du4 s ALA 47 CO 0.80 -2.82 2.42 -3.47 0.00 0.00 0.00 175.76 172.69 1du4 n ASP 48 N -4.16 6.83 -4.44 0.00 2.03 -1.26 -4.91 116.55 110.63 1du4 n ASP 48 Ca 0.06 -2.91 -0.43 0.00 0.52 0.00 0.00 54.79 52.03 1du4 n ASP 48 Cb 0.58 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.39 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 1.00 3.49 0.25 -1.67 0.00 -1.26 -2.79 121.76 120.79 1du4 s ALA 49 Ca 0.54 -1.79 0.11 0.00 0.00 0.00 0.00 51.96 50.82 1du4 s ALA 49 Cb 0.16 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1du4 s ALA 49 CO -0.06 -1.57 -0.19 0.95 0.00 0.00 0.00 175.76 174.88 1du4 s THR 50 N 1.78 2.28 0.36 0.00 -4.23 -0.65 -0.81 115.64 114.36 1du4 s THR 50 Ca 0.06 -2.32 -0.25 0.00 -1.18 0.00 0.00 61.69 58.00 1du4 s THR 50 Cb -0.20 -2.21 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 1du4 s THR 50 CO 0.10 -0.42 1.04 -0.36 -0.54 0.00 0.00 174.62 174.43 1du4 s PHE 51 N -2.54 3.41 -0.16 3.99 0.08 0.17 -0.37 117.98 122.57 1du4 s PHE 51 Ca 0.27 1.68 -0.04 0.00 0.12 0.00 0.00 56.93 58.97 1du4 s PHE 51 Cb -0.04 -3.11 -0.08 0.00 -0.57 0.00 0.00 43.02 39.21 1du4 s PHE 51 CO 0.12 -0.44 -0.17 1.28 -0.10 0.00 0.00 175.22 175.92 1du4 n LEU 52 N 0.28 2.05 -3.72 -0.37 4.77 0.53 -1.41 117.00 119.14 1du4 n LEU 52 Ca 0.03 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1du4 n LEU 52 Cb 0.49 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1du4 n LEU 52 CO 0.46 0.54 0.11 -0.47 -1.33 0.00 0.00 177.39 176.71 1du4 s TYR 53 N -2.30 -0.52 0.01 -1.77 5.04 -0.95 -4.74 117.35 112.12 1du4 s TYR 53 Ca -0.22 1.22 0.07 0.00 -2.44 0.00 0.00 57.07 55.70 1du4 s TYR 53 Cb 0.07 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 1du4 s TYR 53 CO 0.32 -0.26 -0.21 0.45 -1.34 0.00 0.00 175.55 174.51 1du4 s SER 54 N 0.47 2.47 -0.00 4.32 0.15 -1.26 -0.50 113.70 119.35 1du4 s SER 54 Ca -0.02 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.03 1du4 s SER 54 Cb -0.04 -0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1du4 s SER 54 CO -0.02 0.22 0.33 0.72 1.20 0.00 0.00 173.24 175.69 1du4 s PHE 55 N -0.62 -0.20 -0.23 3.44 -0.12 -0.70 -4.84 117.98 114.71 1du4 s PHE 55 Ca 0.08 0.26 -0.14 0.00 -0.05 0.00 0.00 56.93 57.08 1du4 s PHE 55 Cb -0.08 0.12 0.07 0.00 -0.63 0.00 0.00 43.02 42.50 1du4 s PHE 55 CO 0.00 -0.43 0.56 -2.00 -0.05 0.00 0.00 175.22 173.31 1du4 s GLU 56 N -1.59 0.58 -1.31 1.99 2.12 -1.24 -1.85 118.70 117.40 1du4 s GLU 56 Ca -0.12 1.00 -0.03 0.00 0.36 0.00 0.00 54.97 56.19 1du4 s GLU 56 Cb -0.04 0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.44 1du4 s GLU 56 CO 0.03 -0.15 0.61 -0.25 -0.54 0.00 0.00 175.26 174.97 1du4 n ASP 57 N 4.12 -1.49 -4.83 -1.70 8.00 -0.99 -4.90 116.55 114.76 1du4 n ASP 57 Ca -0.21 -0.91 -0.33 0.00 0.71 0.00 0.00 54.79 54.06 1du4 n ASP 57 Cb 0.57 -3.64 -0.06 0.00 -0.02 0.00 0.00 41.12 37.97 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 -4.23 5.97 0.75 -2.24 0.15 -0.94 -4.70 113.70 108.45 1du4 s SER 58 Ca 0.07 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1du4 s SER 58 Cb -0.02 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1du4 s SER 58 CO 0.84 0.26 0.00 0.61 1.20 0.00 0.00 173.24 176.15 1du4 n GLY 59 N 1.02 1.25 0.09 9.45 0.00 -1.26 -1.53 105.19 114.21 1du4 n GLY 59 Ca -0.12 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 1.54 -0.81 1.61 2.07 -1.87 -3.38 116.25 115.42 1du4 h VAL 60 Ca 0.00 -2.34 -0.44 0.00 0.82 0.00 0.00 66.70 64.73 1du4 h VAL 60 Cb 0.00 3.10 -0.25 0.00 -1.52 0.00 0.00 31.29 32.63 1du4 h VAL 60 CO 0.00 0.57 0.57 0.61 0.02 0.00 0.00 177.57 179.34 1du4 n GLY 61 N 1.59 4.25 3.71 2.17 0.00 -1.26 -4.89 105.19 110.77 1du4 n GLY 61 Ca -0.16 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.76 -4.30 -4.63 1.61 8.00 -1.22 -4.87 116.55 110.38 1du4 n ASP 62 Ca 0.49 -0.99 -0.43 0.00 0.71 0.00 0.00 54.79 54.57 1du4 n ASP 62 Cb 1.29 -3.44 -0.03 0.00 -0.02 0.00 0.00 41.12 38.92 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 -3.55 3.59 0.03 2.53 1.01 -0.58 -4.04 120.40 119.39 1du4 s VAL 63 Ca 0.37 0.66 0.06 0.00 0.00 0.00 0.00 61.98 63.07 1du4 s VAL 63 Cb -0.13 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1du4 s VAL 63 CO 0.86 -0.25 -0.18 -0.89 0.00 0.00 0.00 175.10 174.64 1du4 s THR 64 N 5.41 1.45 -5.00 3.92 2.01 -1.26 -2.22 115.64 119.95 1du4 s THR 64 Ca 0.75 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1du4 s THR 64 Cb -0.27 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1du4 s THR 64 CO 0.31 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1du4 n GLY 65 N 1.99 -0.27 3.28 4.40 0.00 -0.77 0.12 105.19 113.94 1du4 n GLY 65 Ca -0.17 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.42 -0.11 -0.19 1.61 -0.12 0.28 -1.72 117.98 114.30 1du4 s PHE 66 Ca 0.00 -0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 56.71 1du4 s PHE 66 Cb 0.00 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1du4 s PHE 66 CO 0.00 -0.60 -0.06 -1.17 -0.05 0.00 0.00 175.22 173.35 1du4 s LEU 67 N -2.50 2.91 0.20 -1.99 2.96 0.35 0.34 118.68 120.95 1du4 s LEU 67 Ca 0.00 -0.34 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1du4 s LEU 67 Cb 0.01 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1du4 s LEU 67 CO -0.08 0.04 -0.17 0.00 -1.32 0.00 0.00 176.35 174.82 1du4 s ALA 68 N 1.12 2.74 -0.12 5.97 0.00 0.43 -0.35 121.76 131.55 1du4 s ALA 68 Ca 0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.35 1du4 s ALA 68 Cb -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1du4 s ALA 68 CO -0.01 0.42 -0.03 -1.17 0.00 0.00 0.00 175.76 174.97 1du4 s LEU 69 N -2.86 3.34 -0.32 0.00 2.96 0.51 -0.97 118.68 121.34 1du4 s LEU 69 Ca 0.24 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1du4 s LEU 69 Cb -0.08 -1.78 0.10 0.00 0.50 0.00 0.00 46.19 44.93 1du4 s LEU 69 CO 0.13 0.27 0.07 -0.62 -1.32 0.00 0.00 176.35 174.87 1du4 s ASP 70 N -0.21 4.40 0.31 3.68 -1.08 -0.11 -1.64 116.67 122.01 1du4 s ASP 70 Ca 0.04 -1.90 0.10 0.00 -0.52 0.00 0.00 52.55 50.28 1du4 s ASP 70 Cb -0.13 -1.26 0.49 0.00 -1.46 0.00 0.00 42.92 40.56 1du4 s ASP 70 CO 0.02 -0.39 1.70 0.78 0.52 0.00 0.00 175.17 177.79 1du4 h ASN 71 N 7.84 0.06 -0.08 -0.34 2.35 -1.80 -0.14 115.58 123.47 1du4 h ASN 71 Ca -0.09 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1du4 h ASN 71 Cb 1.02 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 1du4 h ASN 71 CO 0.50 0.55 -0.05 0.74 -1.65 0.00 0.00 177.43 177.52 1du4 h THR 72 N 0.05 1.33 -0.00 2.81 2.02 -1.93 -3.32 112.91 113.86 1du4 h THR 72 Ca -0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1du4 h THR 72 Cb 0.90 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1du4 h THR 72 CO 0.07 0.30 -0.67 0.59 0.37 0.00 0.00 175.52 176.18 1du4 n ASN 73 N -4.75 0.84 -3.11 4.18 3.02 -1.21 -4.99 115.26 109.23 1du4 n ASN 73 Ca -0.07 -0.68 -0.14 0.00 -0.03 0.00 0.00 54.58 53.66 1du4 n ASN 73 Cb 0.27 0.54 0.07 0.00 -0.61 0.00 0.00 39.78 40.05 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 -1.33 -3.32 -4.27 3.52 5.02 -0.10 -4.90 118.16 112.77 1du4 n LYS 74 Ca 0.06 0.78 -0.21 0.00 -2.02 0.00 0.00 58.31 56.91 1du4 n LYS 74 Cb 0.34 -5.45 -0.12 0.00 -0.02 0.00 0.00 35.03 29.79 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 -5.41 2.35 -0.31 -0.35 1.43 -1.00 -1.18 118.68 114.22 1du4 s LEU 75 Ca 0.28 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1du4 s LEU 75 Cb -0.04 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.50 1du4 s LEU 75 CO 0.66 -0.03 0.01 -0.63 0.23 0.00 0.00 176.35 176.59 1du4 s ILE 76 N -1.61 2.81 -0.22 -0.59 1.01 -0.87 -0.94 121.20 120.78 1du4 s ILE 76 Ca 0.08 -1.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.11 1du4 s ILE 76 Cb -0.08 -2.69 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 1du4 s ILE 76 CO 0.04 -0.20 -0.05 -0.69 0.00 0.00 0.00 174.94 174.05 1du4 s VAL 77 N 1.18 3.29 -0.42 2.92 1.01 -0.14 -1.63 120.40 126.61 1du4 s VAL 77 Ca -0.03 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1du4 s VAL 77 Cb -0.20 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1du4 s VAL 77 CO -0.03 0.40 0.35 -0.22 0.00 0.00 0.00 175.10 175.60 1du4 s LEU 78 N 1.46 5.08 -0.35 3.92 2.96 -0.62 -0.43 118.68 130.71 1du4 s LEU 78 Ca 0.05 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 53.01 1du4 s LEU 78 Cb -0.14 -2.23 0.04 0.00 0.50 0.00 0.00 46.19 44.35 1du4 s LEU 78 CO -0.04 -0.51 0.13 -0.55 -1.32 0.00 0.00 176.35 174.06 1du4 s SER 79 N 1.81 5.41 -0.13 3.68 0.15 0.15 -0.83 113.70 123.95 1du4 s SER 79 Ca 0.07 -1.14 -0.24 0.00 0.70 0.00 0.00 55.95 55.34 1du4 s SER 79 Cb -0.19 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1du4 s SER 79 CO 0.11 -0.35 0.74 -0.36 1.20 0.00 0.00 173.24 174.57 1du4 s PHE 80 N 1.43 3.47 0.34 3.44 0.08 -0.16 -0.56 117.98 126.02 1du4 s PHE 80 Ca -0.01 1.18 -0.20 0.00 0.12 0.00 0.00 56.93 58.02 1du4 s PHE 80 Cb -0.20 -2.88 -0.10 0.00 -0.57 0.00 0.00 43.02 39.27 1du4 s PHE 80 CO 0.03 -0.09 0.85 0.50 -0.10 0.00 0.00 175.22 176.41 1du4 s ARG 81 N 1.55 4.25 0.00 0.44 3.00 0.12 -3.89 118.95 124.42 1du4 s ARG 81 Ca 0.36 1.00 0.00 0.00 -1.00 0.00 0.00 55.73 56.08 1du4 s ARG 81 Cb -0.17 -2.52 0.00 0.00 0.00 0.00 0.00 34.95 32.26 1du4 s ARG 81 CO 0.14 0.17 0.00 0.41 0.00 0.00 0.00 175.30 176.03 1du4 n GLY 82 N -0.03 -1.15 3.79 8.12 0.00 -1.24 -3.47 105.19 111.21 1du4 n GLY 82 Ca 0.03 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.11 7.30 0.59 1.61 0.15 -1.26 -4.80 113.70 116.18 1du4 s SER 83 Ca 0.00 1.66 0.29 0.00 0.70 0.00 0.00 55.95 58.60 1du4 s SER 83 Cb 0.00 -2.51 1.59 0.00 -1.71 0.00 0.00 66.02 63.39 1du4 s SER 83 CO 0.00 0.07 2.02 -0.09 1.20 0.00 0.00 173.24 176.44 1du4 h ARG 84 N 3.67 0.00 -2.76 5.44 1.12 -1.97 -3.31 114.38 116.57 1du4 h ARG 84 Ca -0.47 0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 57.82 1du4 h ARG 84 Cb 1.20 0.00 -0.39 0.00 -0.01 0.00 0.00 29.97 30.76 1du4 h ARG 84 CO 0.66 0.00 -0.81 0.45 -3.11 0.00 0.00 179.97 177.16 1du4 s SER 85 N -5.53 3.25 0.11 -3.80 0.15 -1.26 -5.03 113.70 101.59 1du4 s SER 85 Ca -0.04 -2.16 -0.20 0.00 0.70 0.00 0.00 55.95 54.24 1du4 s SER 85 Cb 0.15 -0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 63.82 1du4 s SER 85 CO 0.54 -0.32 1.74 0.40 1.20 0.00 0.00 173.24 176.80 1du4 h ILE 86 N 5.31 1.08 -0.66 6.45 1.08 -1.93 -2.20 117.51 126.63 1du4 h ILE 86 Ca 0.00 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 64.41 1du4 h ILE 86 Cb 0.97 0.85 -0.09 0.00 -3.07 0.00 0.00 36.82 35.48 1du4 h ILE 86 CO 0.34 0.08 0.17 -0.33 -0.69 0.00 0.00 178.15 177.72 1du4 h GLU 87 N 0.24 0.28 -0.24 2.37 3.07 -1.96 -0.98 114.58 117.37 1du4 h GLU 87 Ca 0.07 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 1du4 h GLU 87 Cb 0.02 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1du4 h GLU 87 CO -0.01 0.19 -0.27 -0.97 -1.40 0.00 0.00 179.01 176.54 1du4 h ASN 88 N 0.29 0.65 -0.92 1.42 -0.00 -1.98 -3.04 115.58 112.01 1du4 h ASN 88 Ca 0.36 -0.49 0.02 0.00 -0.00 0.00 0.00 56.30 56.19 1du4 h ASN 88 Cb 0.55 -0.18 -0.05 0.00 -0.00 0.00 0.00 38.32 38.64 1du4 h ASN 88 CO -0.43 1.01 0.60 -0.25 -0.00 0.00 0.00 177.43 178.36 1du4 h TRP 89 N 0.31 1.13 0.12 0.67 7.01 -0.85 -2.88 115.95 121.46 1du4 h TRP 89 Ca 0.03 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.08 1du4 h TRP 89 Cb 0.84 -0.38 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 1du4 h TRP 89 CO 0.08 0.68 -0.26 0.82 -2.79 0.00 0.00 178.44 176.97 1du4 h ILE 90 N 1.19 0.44 0.00 2.65 2.04 -1.14 -2.56 117.51 120.14 1du4 h ILE 90 Ca 0.35 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1du4 h ILE 90 Cb -0.06 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1du4 h ILE 90 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.66 1du4 n GLY 91 N -1.37 -1.18 0.35 5.37 0.00 -1.16 -1.66 105.19 105.55 1du4 n GLY 91 Ca -0.07 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1du4 n GLY 91 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1du4 n ASN 92 N -1.37 2.76 -4.71 1.61 3.02 -1.10 -5.04 115.26 110.44 1du4 n ASN 92 Ca 0.09 -2.67 -0.42 0.00 -0.03 0.00 0.00 54.58 51.55 1du4 n ASN 92 Cb 0.23 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1du4 n ASN 92 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1du4 s LEU 93 N -2.18 4.35 0.23 3.41 2.96 -0.66 -5.00 118.68 121.79 1du4 s LEU 93 Ca 0.26 2.15 -0.18 0.00 -0.22 0.00 0.00 54.13 56.14 1du4 s LEU 93 Cb 0.21 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 1du4 s LEU 93 CO 0.06 -0.61 0.70 0.21 -1.32 0.00 0.00 176.35 175.38 1du4 s ASN 94 N 1.32 6.95 0.00 3.68 3.84 -1.26 -5.01 114.94 124.46 1du4 s ASN 94 Ca 0.62 1.32 0.13 0.00 0.21 0.00 0.00 52.86 55.15 1du4 s ASN 94 Cb -0.32 -2.38 0.36 0.00 -0.55 0.00 0.00 41.25 38.35 1du4 s ASN 94 CO 0.28 -0.01 1.29 0.49 -2.79 0.00 0.00 177.10 176.36 1du4 n PHE 95 N 0.47 0.53 -1.98 0.43 3.72 -1.26 -4.97 117.46 114.40 1du4 n PHE 95 Ca -0.01 -0.46 -0.39 0.00 -0.05 0.00 0.00 57.45 56.53 1du4 n PHE 95 Cb 0.52 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 -1.01 6.09 0.21 4.37 1.01 -1.26 -4.90 116.67 121.18 1du4 s ASP 96 Ca 0.28 2.70 0.05 0.00 0.71 0.00 0.00 52.55 56.29 1du4 s ASP 96 Cb 0.15 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1du4 s ASP 96 CO 0.19 -1.00 0.22 -0.76 0.21 0.00 0.00 175.17 174.03 1du4 s LEU 97 N -2.65 3.98 0.01 1.23 1.43 -1.26 0.02 118.68 121.44 1du4 s LEU 97 Ca 0.60 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1du4 s LEU 97 Cb -0.39 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1du4 s LEU 97 CO 0.49 -0.00 0.10 -1.59 0.23 0.00 0.00 176.35 175.58 1du4 s LYS 98 N -3.57 0.45 0.24 1.70 -2.85 0.31 -4.58 119.74 111.44 1du4 s LYS 98 Ca 0.33 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.53 1du4 s LYS 98 Cb -0.09 0.18 -0.10 0.00 -2.06 0.00 0.00 37.83 35.76 1du4 s LYS 98 CO 0.26 -0.10 1.44 -1.83 0.10 0.00 0.00 175.35 175.22 1du4 s GLU 99 N -1.47 4.27 -0.52 1.78 4.04 -1.26 -1.70 118.70 123.84 1du4 s GLU 99 Ca -0.15 2.29 0.07 0.00 0.04 0.00 0.00 54.97 57.23 1du4 s GLU 99 Cb -0.08 -3.12 0.32 0.00 0.02 0.00 0.00 34.13 31.27 1du4 s GLU 99 CO 0.01 -0.42 0.81 0.44 -1.84 0.00 0.00 175.26 174.26 1du4 n ILE 100 N 2.49 1.73 0.26 1.83 -5.35 -0.80 -4.87 119.36 114.65 1du4 n ILE 100 Ca 0.07 -5.11 0.14 0.00 -0.27 0.00 0.00 62.75 57.58 1du4 n ILE 100 Cb 0.40 -1.28 0.65 0.00 -1.74 0.00 0.00 39.64 37.68 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 3.29 0.00 -0.64 7.28 2.35 -1.74 -1.78 115.58 124.33 1du4 h ASN 101 Ca 0.13 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1du4 h ASN 101 Cb 0.69 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.00 1du4 h ASN 101 CO 0.70 0.12 0.31 -2.24 -1.65 0.00 0.00 177.43 174.68 1du4 h ASP 102 N 0.00 0.41 0.13 5.81 2.03 -1.95 -3.15 116.42 119.69 1du4 h ASP 102 Ca -0.00 0.05 -0.19 0.00 -0.73 0.00 0.00 57.03 56.17 1du4 h ASP 102 Cb 0.51 -0.01 0.02 0.00 -0.83 0.00 0.00 39.33 39.01 1du4 h ASP 102 CO 0.02 0.25 -0.84 0.40 -1.03 0.00 0.00 179.24 178.03 1du4 h ILE 103 N 0.55 1.47 -2.54 4.15 2.04 -1.74 -3.48 117.51 117.95 1du4 h ILE 103 Ca 0.31 -2.51 -0.03 0.00 1.00 0.00 0.00 64.86 63.63 1du4 h ILE 103 Cb 0.30 3.15 -0.15 0.00 -0.74 0.00 0.00 36.82 39.38 1du4 h ILE 103 CO -0.24 0.71 0.22 0.00 0.00 0.00 0.00 178.15 178.84 1du4 s SER 105 N -2.09 6.80 0.00 0.00 0.15 -1.26 -2.66 113.70 114.64 1du4 s SER 105 Ca -0.04 2.22 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1du4 s SER 105 Cb -0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1du4 s SER 105 CO -0.03 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1du4 n GLY 106 N 3.68 0.78 3.76 9.45 0.00 -1.26 -4.89 105.19 116.71 1du4 n GLY 106 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.43 1.12 0.21 0.00 0.52 -1.26 -1.90 118.95 116.22 1du4 s ARG 108 Ca 0.44 -0.17 0.06 0.00 -0.52 0.00 0.00 55.73 55.53 1du4 s ARG 108 Cb -0.24 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.08 1du4 s ARG 108 CO 0.30 -0.12 0.23 0.20 0.02 0.00 0.00 175.30 175.93 1du4 s GLY 109 N 1.13 1.48 -0.08 -3.53 0.00 -0.69 -1.21 107.32 104.41 1du4 s GLY 109 Ca -0.07 -1.28 -0.39 0.00 0.00 0.00 0.00 44.72 42.98 1du4 s GLY 109 CO -0.01 -1.30 1.47 1.57 0.00 0.00 0.00 173.10 174.83 1du4 n HIS 110 N -0.95 1.63 -0.02 1.90 -0.00 -0.63 -0.53 115.22 116.62 1du4 n HIS 110 Ca -0.08 0.67 -0.09 0.00 0.46 0.00 0.00 57.72 58.69 1du4 n HIS 110 Cb 0.56 -2.35 -0.03 0.00 -0.12 0.00 0.00 29.99 28.06 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 5.34 -0.29 0.06 0.26 1.82 -0.66 -2.49 116.42 120.47 1du4 h ASP 111 Ca -0.47 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.26 1du4 h ASP 111 Cb 1.34 0.16 -0.04 0.00 0.68 0.00 0.00 39.33 41.47 1du4 h ASP 111 CO 0.84 -0.11 -0.32 1.23 -1.61 0.00 0.00 179.24 179.27 1du4 h GLY 112 N -0.07 -0.56 0.91 -0.78 0.00 -1.90 -1.46 103.07 99.20 1du4 h GLY 112 Ca 0.10 0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 1du4 h GLY 112 CO -0.22 -0.24 0.05 0.74 0.00 0.00 0.00 176.54 176.88 1du4 h PHE 113 N -0.50 0.14 -0.50 5.60 0.04 -1.95 -1.65 116.94 118.12 1du4 h PHE 113 Ca 0.04 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.83 1du4 h PHE 113 Cb 0.56 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1du4 h PHE 113 CO -0.31 0.20 0.31 1.15 -0.60 0.00 0.00 178.31 179.05 1du4 h THR 114 N 0.05 1.07 -0.50 -1.55 2.02 -1.48 -2.25 112.91 110.27 1du4 h THR 114 Ca 0.03 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1du4 h THR 114 Cb 0.11 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1du4 h THR 114 CO -0.00 0.11 -0.18 0.28 0.37 0.00 0.00 175.52 176.10 1du4 h SER 115 N 0.61 1.01 -0.63 4.18 0.02 -1.19 -2.04 113.55 115.52 1du4 h SER 115 Ca 0.20 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1du4 h SER 115 Cb -0.00 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1du4 h SER 115 CO -0.08 1.15 0.27 -1.28 -1.14 0.00 0.00 176.83 175.75 1du4 h SER 116 N 0.86 0.85 -0.37 3.07 0.87 -1.21 -2.60 113.55 115.03 1du4 h SER 116 Ca 0.12 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1du4 h SER 116 Cb 0.75 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1du4 h SER 116 CO 0.06 0.78 -0.05 -0.25 -0.53 0.00 0.00 176.83 176.84 1du4 h TRP 117 N 0.87 0.77 -0.89 2.24 2.91 -1.26 -3.06 115.95 117.53 1du4 h TRP 117 Ca 0.21 -0.15 0.05 0.00 1.13 0.00 0.00 58.89 60.13 1du4 h TRP 117 Cb 0.18 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.58 1du4 h TRP 117 CO 0.01 0.82 0.58 -0.09 -1.03 0.00 0.00 178.44 178.73 1du4 h ARG 118 N 0.50 1.02 -0.79 2.65 9.65 -1.27 0.57 114.38 126.72 1du4 h ARG 118 Ca 0.10 -0.06 0.14 0.00 -1.10 0.00 0.00 59.98 59.06 1du4 h ARG 118 Cb 0.54 -0.23 -0.09 0.00 -1.39 0.00 0.00 29.97 28.80 1du4 h ARG 118 CO 0.03 0.68 0.36 0.77 2.80 0.00 0.00 179.97 184.60 1du4 h SER 119 N 1.05 0.39 -0.01 -3.80 0.02 -1.36 -3.13 113.55 106.71 1du4 h SER 119 Ca 0.37 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1du4 h SER 119 Cb 0.12 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1du4 h SER 119 CO -0.13 0.16 -0.18 1.33 -1.14 0.00 0.00 176.83 176.88 1du4 n VAL 120 N -4.94 0.00 0.02 2.27 0.24 -1.01 -4.71 118.33 110.21 1du4 n VAL 120 Ca 0.15 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 1du4 n VAL 120 Cb 0.41 1.21 -0.04 0.00 -1.47 0.00 0.00 33.84 33.96 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 2.55 -0.34 -0.73 2.33 0.00 -0.83 0.83 119.26 123.06 1du4 h ALA 121 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1du4 h ALA 121 Cb 0.52 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1du4 h ALA 121 CO 0.00 -0.77 0.45 -0.44 0.00 0.00 0.00 179.25 178.49 1du4 h ASP 122 N -0.39 0.87 0.02 0.00 3.32 -1.87 0.21 116.42 118.59 1du4 h ASP 122 Ca 0.08 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1du4 h ASP 122 Cb 0.51 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1du4 h ASP 122 CO -0.30 0.67 -0.01 0.74 -1.72 0.00 0.00 179.24 178.63 1du4 h THR 123 N 1.00 1.20 -0.05 0.35 2.02 -1.79 -2.66 112.91 112.98 1du4 h THR 123 Ca 0.26 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.66 1du4 h THR 123 Cb -0.05 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1du4 h THR 123 CO -0.05 0.17 -0.50 -0.07 0.37 0.00 0.00 175.52 175.45 1du4 h LEU 124 N -0.31 0.13 -0.49 2.58 3.38 -0.50 -2.87 115.31 117.23 1du4 h LEU 124 Ca -0.00 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1du4 h LEU 124 Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1du4 h LEU 124 CO 0.00 0.61 -0.53 0.08 0.09 0.00 0.00 178.44 178.69 1du4 h ARG 125 N 0.10 0.61 -0.28 1.13 -0.00 -0.63 -1.77 114.38 113.55 1du4 h ARG 125 Ca 0.00 -0.38 -0.01 0.00 -0.00 0.00 0.00 59.98 59.60 1du4 h ARG 125 Cb 0.91 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.91 1du4 h ARG 125 CO 0.07 0.99 0.15 0.37 -0.00 0.00 0.00 179.97 181.55 1du4 h GLN 126 N 0.48 0.39 -0.52 0.08 -0.00 -1.39 -0.97 115.11 113.17 1du4 h GLN 126 Ca 0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1du4 h GLN 126 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.46 1du4 h GLN 126 CO 0.10 0.34 0.27 0.87 0.00 0.00 0.00 178.83 180.41 1du4 h LYS 127 N 0.33 0.74 -0.31 1.69 1.57 -1.38 -0.66 116.57 118.55 1du4 h LYS 127 Ca 0.10 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1du4 h LYS 127 Cb 0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1du4 h LYS 127 CO -0.02 0.60 0.14 0.28 -0.57 0.00 0.00 179.45 179.88 1du4 h VAL 128 N 0.70 0.96 0.00 0.50 2.07 -1.23 -2.60 116.25 116.65 1du4 h VAL 128 Ca 0.18 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1du4 h VAL 128 Cb 0.09 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1du4 h VAL 128 CO -0.03 0.05 -0.24 -0.33 0.02 0.00 0.00 177.57 177.04 1du4 h GLU 129 N 0.30 0.00 -0.38 1.57 5.08 -0.76 -1.50 114.58 118.90 1du4 h GLU 129 Ca 0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1du4 h GLU 129 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1du4 h GLU 129 CO -0.11 0.24 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.63 1du4 h ASP 130 N 0.00 0.72 -0.46 1.42 3.32 -0.80 -1.45 116.42 119.17 1du4 h ASP 130 Ca -0.00 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 1du4 h ASP 130 Cb 0.58 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1du4 h ASP 130 CO 0.03 0.90 0.02 0.00 -1.72 0.00 0.00 179.24 178.48 1du4 h ALA 131 N 0.84 1.05 -0.56 3.45 0.00 -1.17 -1.31 119.26 121.56 1du4 h ALA 131 Ca 0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1du4 h ALA 131 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1du4 h ALA 131 CO 0.03 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 180.10 1du4 h VAL 132 N 0.81 1.27 0.00 0.00 2.07 -1.09 0.24 116.25 119.54 1du4 h VAL 132 Ca 0.16 -1.20 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 1du4 h VAL 132 Cb 0.46 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1du4 h VAL 132 CO 0.02 0.43 -0.54 0.08 0.02 0.00 0.00 177.57 177.58 1du4 h ARG 133 N 0.92 0.00 0.06 1.57 0.11 -0.78 -2.48 114.38 113.79 1du4 h ARG 133 Ca 0.15 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.99 1du4 h ARG 133 Cb 0.61 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.68 1du4 h ARG 133 CO 0.04 0.54 -1.08 1.49 0.10 0.00 0.00 179.97 181.06 1du4 h GLU 134 N 0.00 0.25 -2.11 0.08 4.57 -1.01 -3.39 114.58 112.97 1du4 h GLU 134 Ca -0.01 -0.36 -0.58 0.00 -1.18 0.00 0.00 59.36 57.23 1du4 h GLU 134 Cb 1.30 0.12 -0.41 0.00 -0.16 0.00 0.00 28.75 29.60 1du4 h GLU 134 CO 0.07 1.12 -0.82 0.72 -1.18 0.00 0.00 179.01 178.92 1du4 n HIS 135 N -3.58 1.87 0.31 0.92 8.25 0.81 -4.99 115.22 118.82 1du4 n HIS 135 Ca -0.06 -3.89 0.21 0.00 -0.26 0.00 0.00 57.72 53.71 1du4 n HIS 135 Cb 0.93 -0.47 1.10 0.00 1.12 0.00 0.00 29.99 32.67 1du4 n HIS 135 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1du4 h PRO 136 N 4.07 0.00 -0.08 -0.41 0.13 -1.66 -1.06 132.00 132.99 1du4 h PRO 136 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1du4 h PRO 136 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1du4 h PRO 136 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1du4 n ASP 137 N -2.96 2.81 -4.82 1.44 5.75 -1.26 -4.97 116.55 112.54 1du4 n ASP 137 Ca -0.02 -1.87 -0.34 0.00 -0.01 0.00 0.00 54.79 52.54 1du4 n ASP 137 Cb 0.09 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.66 3.49 -0.08 2.11 1.51 -0.40 -4.99 117.35 117.32 1du4 s TYR 138 Ca 0.26 1.47 -0.13 0.00 -1.01 0.00 0.00 57.07 57.65 1du4 s TYR 138 Cb 0.18 -2.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1du4 s TYR 138 CO 0.26 0.13 0.33 -0.98 -1.11 0.00 0.00 175.55 174.17 1du4 s ARG 139 N -2.60 3.97 -0.19 -0.62 1.70 -0.32 -4.84 118.95 116.05 1du4 s ARG 139 Ca 0.53 0.21 -0.29 0.00 -0.47 0.00 0.00 55.73 55.71 1du4 s ARG 139 Cb -0.13 -3.30 -0.02 0.00 -0.57 0.00 0.00 34.95 30.94 1du4 s ARG 139 CO 0.18 0.52 1.33 0.08 -1.08 0.00 0.00 175.30 176.33 1du4 s VAL 140 N -0.43 4.15 -0.12 4.99 1.01 -1.26 -2.06 120.40 126.68 1du4 s VAL 140 Ca 0.20 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.56 1du4 s VAL 140 Cb -0.14 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1du4 s VAL 140 CO 0.08 -0.21 -0.19 -0.69 0.00 0.00 0.00 175.10 174.09 1du4 s VAL 141 N 3.86 1.78 -0.13 2.92 1.01 -0.65 -0.86 120.40 128.33 1du4 s VAL 141 Ca 0.58 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1du4 s VAL 141 Cb -0.22 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1du4 s VAL 141 CO 0.19 0.50 0.01 -0.36 0.00 0.00 0.00 175.10 175.44 1du4 s PHE 142 N 0.89 3.17 0.17 5.22 0.08 0.20 -1.59 117.98 126.12 1du4 s PHE 142 Ca -0.07 0.07 -0.02 0.00 0.12 0.00 0.00 56.93 57.03 1du4 s PHE 142 Cb -0.15 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1du4 s PHE 142 CO -0.02 0.30 0.11 -0.08 -0.10 0.00 0.00 175.22 175.43 1du4 s THR 143 N -0.31 0.05 0.00 0.64 -1.32 -0.01 -0.39 115.64 114.30 1du4 s THR 143 Ca 0.07 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 1du4 s THR 143 Cb -0.12 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.62 1du4 s THR 143 CO 0.02 -0.23 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 1du4 n GLY 144 N -0.19 1.80 3.74 6.08 0.00 -0.87 -0.99 105.19 114.75 1du4 n GLY 144 Ca -0.02 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1du4 n GLY 144 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1du4 s HIS 145 N -2.00 3.22 0.00 1.61 2.46 -1.25 -1.30 115.29 118.03 1du4 s HIS 145 Ca 0.00 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.72 1du4 s HIS 145 Cb 0.00 -1.74 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 1du4 s HIS 145 CO 0.00 0.52 0.00 0.45 -2.47 0.00 0.00 174.74 173.24 1du4 n SER 146 N 1.45 0.00 0.27 9.88 2.88 0.80 0.58 113.62 129.48 1du4 n SER 146 Ca -0.15 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1du4 n SER 146 Cb 0.53 0.00 0.74 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.21 2.46 5.85 -1.87 0.61 115.31 121.15 1du4 h LEU 147 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 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 0.00 1.13 3.75 0.00 0.11 -2.21 103.07 105.85 1du4 h GLY 148 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1du4 h GLY 148 CO 0.00 0.00 -0.24 -1.33 0.00 0.00 0.00 176.54 174.97 1du4 h GLY 149 N 1.30 1.07 0.67 4.60 0.00 -0.58 -0.77 103.07 109.37 1du4 h GLY 149 Ca -0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1du4 h GLY 149 CO 0.05 0.88 -0.01 0.00 0.00 0.00 0.00 176.54 177.46 1du4 h ALA 150 N 0.87 -0.02 -0.62 3.60 0.00 -1.37 -1.71 119.26 120.02 1du4 h ALA 150 Ca 0.11 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1du4 h ALA 150 Cb 0.82 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1du4 h ALA 150 CO 0.07 -0.34 0.03 -0.07 0.00 0.00 0.00 179.25 178.94 1du4 h LEU 151 N -0.35 -0.21 -0.70 0.00 3.38 -1.32 -0.78 115.31 115.34 1du4 h LEU 151 Ca -0.00 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1du4 h LEU 151 Cb 0.34 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1du4 h LEU 151 CO 0.00 -0.09 0.20 0.00 0.09 0.00 0.00 178.44 178.64 1du4 h ALA 152 N 1.55 0.92 0.09 1.53 0.00 -1.06 -0.21 119.26 122.08 1du4 h ALA 152 Ca 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1du4 h ALA 152 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1du4 h ALA 152 CO -0.50 0.62 -0.04 1.15 0.00 0.00 0.00 179.25 180.47 1du4 h THR 153 N 1.04 1.04 -0.51 0.00 2.02 -0.51 0.04 112.91 116.03 1du4 h THR 153 Ca 0.22 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.85 1du4 h THR 153 Cb 0.33 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1du4 h THR 153 CO -0.00 0.11 -0.04 0.58 0.37 0.00 0.00 175.52 176.54 1du4 h VAL 154 N -0.33 1.27 -0.82 3.16 2.07 -1.12 -1.89 116.25 118.58 1du4 h VAL 154 Ca -0.01 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1du4 h VAL 154 Cb 0.28 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1du4 h VAL 154 CO 0.02 0.41 0.44 0.00 0.02 0.00 0.00 177.57 178.45 1du4 h ALA 155 N 0.92 1.22 -0.36 1.67 0.00 -0.87 -2.28 119.26 119.56 1du4 h ALA 155 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1du4 h ALA 155 Cb 0.58 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1du4 h ALA 155 CO 0.03 0.62 0.09 0.78 0.00 0.00 0.00 179.25 180.78 1du4 h GLY 156 N 1.18 0.62 0.28 0.00 0.00 -0.53 -2.01 103.07 102.61 1du4 h GLY 156 Ca 0.29 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1du4 h GLY 156 CO -0.04 0.36 -0.19 0.00 0.00 0.00 0.00 176.54 176.66 1du4 h ALA 157 N 0.94 -0.06 -0.16 3.60 0.00 -1.20 -1.57 119.26 120.81 1du4 h ALA 157 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1du4 h ALA 157 Cb 0.29 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1du4 h ALA 157 CO -0.00 -0.62 0.07 0.22 0.00 0.00 0.00 179.25 178.92 1du4 h ASP 158 N -0.20 0.22 1.95 0.00 3.58 -1.35 -3.35 116.42 117.27 1du4 h ASP 158 Ca 0.13 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1du4 h ASP 158 Cb 0.39 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1du4 h ASP 158 CO -0.33 0.32 0.00 -0.07 -2.88 0.00 0.00 179.24 176.28 1du4 h LEU 159 N 0.11 0.00-10.25 2.28 3.38 -1.22 -3.47 115.31 106.14 1du4 h LEU 159 Ca 0.05 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.50 1du4 h LEU 159 Cb 0.17 0.00 0.19 0.00 0.09 0.00 0.00 40.66 41.11 1du4 h LEU 159 CO -0.00 0.00 0.26 -0.13 0.09 0.00 0.00 178.44 178.65 1du4 s ARG 160 N -3.21 1.17 0.00 1.13 0.52 -0.60 -3.97 118.95 113.99 1du4 s ARG 160 Ca 0.07 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 1du4 s ARG 160 Cb 0.06 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.79 1du4 s ARG 160 CO 0.66 -2.54 0.00 0.41 0.02 0.00 0.00 175.30 173.85 1du4 n GLY 161 N 0.34 0.76 1.09 -3.53 0.00 -1.26 -4.99 105.19 97.59 1du4 n GLY 161 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 1.03 2.39 0.00 1.61 5.03 -1.25 -4.98 115.26 119.09 1du4 n ASN 162 Ca 0.00 -3.63 0.00 0.00 0.87 0.00 0.00 54.58 51.82 1du4 n ASN 162 Cb 0.04 -0.46 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 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 -0.85 3.37 3.02 7.41 0.00 -1.26 -5.03 105.19 111.85 1du4 n GLY 163 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.70 1.30 0.64 1.61 1.13 -1.26 -5.14 117.35 112.93 1du4 s TYR 164 Ca 0.00 -0.42 -0.16 0.00 -1.41 0.00 0.00 57.07 55.09 1du4 s TYR 164 Cb 0.00 -0.94 -0.01 0.00 -1.10 0.00 0.00 41.96 39.91 1du4 s TYR 164 CO 0.00 -0.20 1.10 -0.51 -2.51 0.00 0.00 175.55 173.43 1du4 s ASP 165 N 0.46 5.27 -0.21 -0.18 1.01 -1.26 -4.56 116.67 117.20 1du4 s ASP 165 Ca -0.09 1.99 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 1du4 s ASP 165 Cb -0.13 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.31 1du4 s ASP 165 CO 0.02 -1.52 0.04 -0.63 0.21 0.00 0.00 175.17 173.29 1du4 s ILE 166 N -2.30 0.60 0.08 0.77 1.01 -0.48 -4.00 121.20 116.88 1du4 s ILE 166 Ca 0.67 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 60.46 1du4 s ILE 166 Cb -0.20 -1.12 -0.07 0.00 0.01 0.00 0.00 42.46 41.08 1du4 s ILE 166 CO 0.39 -0.24 0.59 -1.81 0.00 0.00 0.00 174.94 173.87 1du4 s ASP 167 N 1.82 7.09 -0.09 3.58 1.01 -0.04 -4.01 116.67 126.02 1du4 s ASP 167 Ca -0.00 1.29 -0.02 0.00 0.71 0.00 0.00 52.55 54.53 1du4 s ASP 167 Cb -0.17 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1du4 s ASP 167 CO -0.09 0.27 -0.02 -0.69 0.21 0.00 0.00 175.17 174.84 1du4 s VAL 168 N -1.09 4.13 -0.18 -1.27 1.01 -0.26 0.59 120.40 123.32 1du4 s VAL 168 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1du4 s VAL 168 Cb -0.20 -2.74 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1du4 s VAL 168 CO 0.20 0.58 -0.02 -0.36 0.00 0.00 0.00 175.10 175.50 1du4 s PHE 169 N -0.66 1.61 -0.06 5.22 0.40 0.47 -0.69 117.98 124.28 1du4 s PHE 169 Ca 0.10 -1.13 0.05 0.00 -0.60 0.00 0.00 56.93 55.35 1du4 s PHE 169 Cb -0.12 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1du4 s PHE 169 CO 0.02 -0.64 -0.20 -1.54 0.70 0.00 0.00 175.22 173.56 1du4 s SER 170 N 1.66 3.51 -0.29 1.36 1.04 -0.91 -2.06 113.70 118.02 1du4 s SER 170 Ca -0.01 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.07 1du4 s SER 170 Cb -0.16 -0.87 0.07 0.00 0.10 0.00 0.00 66.02 65.16 1du4 s SER 170 CO -0.07 0.28 -0.05 -0.31 0.98 0.00 0.00 173.24 174.06 1du4 s TYR 171 N -0.35 3.39 -0.82 5.02 1.51 -0.42 -0.91 117.35 124.77 1du4 s TYR 171 Ca 0.03 -2.42 -0.02 0.00 -1.01 0.00 0.00 57.07 53.64 1du4 s TYR 171 Cb -0.12 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 1du4 s TYR 171 CO 0.02 -0.89 0.21 0.41 -1.11 0.00 0.00 175.55 174.19 1du4 n GLY 172 N 4.42 0.03 3.76 0.71 0.00 -1.01 -0.14 105.19 112.96 1du4 n GLY 172 Ca -0.10 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.74 3.41 0.83 4.61 0.00 -1.26 -3.82 121.76 122.79 1du4 s ALA 173 Ca 0.10 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1du4 s ALA 173 Cb -0.05 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1du4 s ALA 173 CO 0.13 -0.19 1.09 -1.25 0.00 0.00 0.00 175.76 175.54 1du4 s PRO 174 N -1.44 1.78 0.47 0.00 0.04 -1.26 -3.63 135.00 130.96 1du4 s PRO 174 Ca 0.45 0.81 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1du4 s PRO 174 Cb -0.32 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1du4 s PRO 174 CO 0.42 -1.88 1.38 0.54 0.04 0.00 0.00 177.00 177.50 1du4 n ARG 175 N -3.63 2.06 0.00 4.56 1.74 -0.32 -4.80 116.66 116.26 1du4 n ARG 175 Ca 0.07 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1du4 n ARG 175 Cb 0.55 -2.56 -0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1du4 n ARG 175 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 1du4 n VAL 176 N -0.40 0.00 -3.49 1.55 3.14 -1.26 -4.41 118.33 113.46 1du4 n VAL 176 Ca 0.07 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1du4 n VAL 176 Cb 0.42 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 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 0.49 0.69 0.00 7.55 0.00 -1.26 -1.60 105.19 111.06 1du4 n GLY 177 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.05 -0.27 -0.04 1.61 6.94 -0.35 -1.50 115.26 121.59 1du4 n ASN 178 Ca 0.00 -0.77 -0.11 0.00 -0.02 0.00 0.00 54.58 53.67 1du4 n ASN 178 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1du4 n ASN 178 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1du4 h ARG 179 N 0.00 0.24 -0.50 -3.83 9.65 -1.90 -1.91 114.38 116.13 1du4 h ARG 179 Ca 0.00 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1du4 h ARG 179 Cb 0.00 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 1du4 h ARG 179 CO 0.00 0.37 0.25 0.00 2.80 0.00 0.00 179.97 183.39 1du4 h ALA 180 N 0.86 0.63 0.00 2.80 0.00 -1.94 0.36 119.26 121.97 1du4 h ALA 180 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1du4 h ALA 180 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1du4 h ALA 180 CO -0.00 -0.09 -0.26 0.35 0.00 0.00 0.00 179.25 179.25 1du4 h PHE 181 N 0.49 0.00 -0.14 0.00 3.57 -1.82 -1.56 116.94 117.48 1du4 h PHE 181 Ca 0.22 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 1du4 h PHE 181 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1du4 h PHE 181 CO -0.10 0.26 -0.55 0.00 -2.23 0.00 0.00 178.31 175.69 1du4 h ALA 182 N 1.74 0.80 -0.13 2.41 0.00 -0.20 0.14 119.26 124.02 1du4 h ALA 182 Ca -0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1du4 h ALA 182 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1du4 h ALA 182 CO 0.03 0.69 -0.53 0.93 0.00 0.00 0.00 179.25 180.37 1du4 h GLU 183 N 0.32 0.39 -0.09 0.00 5.08 -0.73 -2.23 114.58 117.31 1du4 h GLU 183 Ca 0.01 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1du4 h GLU 183 Cb 1.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1du4 h GLU 183 CO 0.10 0.83 0.01 0.35 -1.00 0.00 0.00 179.01 179.29 1du4 h PHE 184 N 0.30 0.17 0.00 4.33 3.57 -0.93 -1.22 116.94 123.15 1du4 h PHE 184 Ca 0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1du4 h PHE 184 Cb 1.04 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1du4 h PHE 184 CO 0.03 0.39 0.00 -0.07 -2.23 0.00 0.00 178.31 176.43 1du4 h LEU 185 N -0.10 0.00 0.14 0.59 3.38 -0.73 -2.19 115.31 116.40 1du4 h LEU 185 Ca 0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 1du4 h LEU 185 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1du4 h LEU 185 CO 0.00 0.00 -1.56 0.74 0.09 0.00 0.00 178.44 177.71 1du4 h THR 186 N 0.00 1.14 0.00 0.22 2.02 -0.63 -3.40 112.91 112.25 1du4 h THR 186 Ca 0.00 -2.74 -0.00 0.00 0.77 0.00 0.00 66.41 64.44 1du4 h THR 186 Cb 0.29 2.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1du4 h THR 186 CO 0.00 0.83 -0.06 0.55 0.37 0.00 0.00 175.52 177.20 1du4 n VAL 187 N -3.50 1.77 -2.82 3.16 3.14 -0.84 -4.89 118.33 114.34 1du4 n VAL 187 Ca -0.18 -2.16 -0.41 0.00 -2.96 0.00 0.00 64.34 58.64 1du4 n VAL 187 Cb 1.05 -0.18 -0.04 0.00 -1.06 0.00 0.00 33.84 33.61 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 -2.69 4.57 0.81 1.45 0.74 -0.88 -5.06 119.66 118.61 1du4 s GLN 188 Ca 0.30 1.28 -0.08 0.00 0.05 0.00 0.00 55.36 56.91 1du4 s GLN 188 Cb 0.27 -3.41 0.17 0.00 1.10 0.00 0.00 33.01 31.14 1du4 s GLN 188 CO 0.02 0.13 1.11 0.25 -0.55 0.00 0.00 175.29 176.25 1du4 n THR 189 N 3.26 0.00 -2.38 -0.34 -2.24 -1.26 -4.52 114.28 106.81 1du4 n THR 189 Ca 0.02 -1.23 -0.01 0.00 -2.27 0.00 0.00 64.05 60.56 1du4 n THR 189 Cb 0.50 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1du4 n THR 189 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1du4 n GLY 190 N -2.79 0.73 0.00 3.38 0.00 -1.26 -4.79 105.19 100.46 1du4 n GLY 190 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.69 3.84 3.58 -0.02 0.00 -1.26 -1.38 105.19 109.26 1du4 n GLY 191 Ca -0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.41 3.48 -0.22 2.61 2.01 -1.26 -4.85 115.64 115.01 1du4 s THR 192 Ca 0.00 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 1du4 s THR 192 Cb 0.00 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1du4 s THR 192 CO 0.00 0.24 0.02 -0.22 -0.69 0.00 0.00 174.62 173.97 1du4 s LEU 193 N -1.85 3.28 -0.74 4.42 2.96 -1.26 -1.10 118.68 124.39 1du4 s LEU 193 Ca 0.20 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1du4 s LEU 193 Cb -0.11 -1.85 0.19 0.00 0.50 0.00 0.00 46.19 44.92 1du4 s LEU 193 CO 0.11 0.02 0.60 -0.31 -1.32 0.00 0.00 176.35 175.45 1du4 s TYR 194 N 1.27 3.60 -0.73 5.38 2.02 0.13 -4.79 117.35 124.23 1du4 s TYR 194 Ca 0.04 -2.64 -0.27 0.00 -0.37 0.00 0.00 57.07 53.84 1du4 s TYR 194 Cb -0.15 -3.35 0.03 0.00 -0.40 0.00 0.00 41.96 38.09 1du4 s TYR 194 CO 0.02 -0.85 1.25 0.50 -1.57 0.00 0.00 175.55 174.89 1du4 s ARG 195 N -0.33 3.20 -0.11 -0.62 3.52 -1.26 -2.14 118.95 121.21 1du4 s ARG 195 Ca 0.20 -0.27 -0.13 0.00 -0.13 0.00 0.00 55.73 55.40 1du4 s ARG 195 Cb -0.15 -4.18 -0.05 0.00 -1.56 0.00 0.00 34.95 29.01 1du4 s ARG 195 CO -0.06 -2.10 0.29 0.42 -0.81 0.00 0.00 175.30 173.04 1du4 s ILE 196 N 5.56 5.27 0.28 4.11 1.01 -0.09 -1.17 121.20 136.18 1du4 s ILE 196 Ca 0.34 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.59 1du4 s ILE 196 Cb -0.09 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1du4 s ILE 196 CO 0.15 0.49 0.02 0.42 0.00 0.00 0.00 174.94 176.03 1du4 s THR 197 N -0.29 1.18 -0.05 2.92 -4.23 0.59 -2.39 115.64 113.38 1du4 s THR 197 Ca 0.18 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1du4 s THR 197 Cb -0.14 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.13 1du4 s THR 197 CO 0.06 -0.15 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.66 1du4 s HIS 198 N -3.31 0.84 0.00 3.99 2.46 -1.26 -1.51 115.29 116.49 1du4 s HIS 198 Ca 0.33 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.61 1du4 s HIS 198 Cb 0.07 -0.72 0.00 0.00 -0.13 0.00 0.00 32.58 31.80 1du4 s HIS 198 CO 0.13 -0.20 0.00 0.25 -2.47 0.00 0.00 174.74 172.44 1du4 n THR 199 N 4.02 0.00 -1.76 0.89 -2.24 0.04 -2.12 114.28 113.10 1du4 n THR 199 Ca -0.24 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 1du4 n THR 199 Cb 0.51 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.95 6.17 -4.68 3.42 6.94 -1.26 -4.45 115.26 122.35 1du4 n ASN 200 Ca 0.00 -3.77 -0.45 0.00 -0.02 0.00 0.00 54.58 50.34 1du4 n ASN 200 Cb 0.00 -0.64 -0.04 0.00 -2.36 0.00 0.00 39.78 36.74 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 -0.78 3.19 0.11 0.53 2.03 -0.90 -0.58 116.55 120.15 1du4 n ASP 201 Ca 0.52 1.08 -0.02 0.00 0.52 0.00 0.00 54.79 56.89 1du4 n ASP 201 Cb 0.79 -1.44 0.21 0.00 -0.72 0.00 0.00 41.12 39.96 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 3.61 1.35 -0.59 5.18 2.10 -1.89 -3.38 117.51 123.89 1du4 h ILE 202 Ca -0.45 -1.70 -0.08 0.00 1.08 0.00 0.00 64.86 63.71 1du4 h ILE 202 Cb 1.25 1.84 -0.02 0.00 -1.09 0.00 0.00 36.82 38.80 1du4 h ILE 202 CO 0.89 0.50 0.04 0.58 -1.08 0.00 0.00 178.15 179.08 1du4 h VAL 203 N 0.13 1.26 0.00 2.19 2.07 -1.88 -1.28 116.25 118.74 1du4 h VAL 203 Ca 0.01 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1du4 h VAL 203 Cb 0.91 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1du4 h VAL 203 CO 0.07 0.39 0.00 -0.65 0.02 0.00 0.00 177.57 177.40 1du4 h PRO 204 N 0.91 0.00 -0.00 1.57 0.11 -1.73 0.43 132.00 133.28 1du4 h PRO 204 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1du4 h PRO 204 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1du4 h PRO 204 CO 0.02 0.00 -0.00 0.54 -0.21 0.00 0.00 178.00 178.35 1du4 n ARG 205 N -2.68 1.14 -4.24 1.05 3.00 -0.49 -4.38 116.66 110.05 1du4 n ARG 205 Ca -0.00 -0.22 -0.18 0.00 -0.01 0.00 0.00 57.85 57.43 1du4 n ARG 205 Cb 0.16 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.01 1du4 n ARG 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1du4 s LEU 206 N -2.01 2.39 0.96 0.55 1.43 0.14 -3.66 118.68 118.47 1du4 s LEU 206 Ca 0.45 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1du4 s LEU 206 Cb 0.22 -0.57 0.14 0.00 0.03 0.00 0.00 46.19 46.01 1du4 s LEU 206 CO 0.37 -0.12 0.97 -2.65 0.23 0.00 0.00 176.35 175.14 1du4 n PRO 207 N 0.62 -0.67 -1.77 1.29 -0.02 -1.26 -1.17 135.00 132.02 1du4 n PRO 207 Ca -0.16 -0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 60.81 1du4 n PRO 207 Cb 0.57 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1du4 n PRO 207 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1du4 s PRO 208 N -4.40 2.78 0.27 0.52 0.02 -1.24 -4.74 135.00 128.22 1du4 s PRO 208 Ca 0.65 2.11 -0.00 0.00 0.02 0.00 0.00 61.00 63.78 1du4 s PRO 208 Cb -0.23 -1.99 0.50 0.00 0.02 0.00 0.00 34.50 32.80 1du4 s PRO 208 CO 0.61 -1.44 1.83 0.00 -0.33 0.00 0.00 177.00 177.68 1du4 h ARG 209 N 0.89 0.94 -0.47 5.54 2.47 -1.83 -1.70 114.38 120.22 1du4 h ARG 209 Ca -0.51 -0.06 0.14 0.00 -1.26 0.00 0.00 59.98 58.29 1du4 h ARG 209 Cb 1.32 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 1du4 h ARG 209 CO 0.55 0.62 0.64 0.93 0.56 0.00 0.00 179.97 183.27 1du4 h GLU 210 N 0.97 0.00 -0.16 0.04 3.07 -1.91 0.20 114.58 116.80 1du4 h GLU 210 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1du4 h GLU 210 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1du4 h GLU 210 CO -0.25 0.00 0.00 1.19 -1.40 0.00 0.00 179.01 178.55 1du4 n PHE 211 N -3.40 0.21 0.00 4.33 3.01 -0.64 -4.83 117.46 116.14 1du4 n PHE 211 Ca 0.09 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1du4 n PHE 211 Cb 0.82 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.29 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 1.04 1.86 3.77 1.37 0.00 0.63 -4.92 105.19 108.94 1du4 n GLY 212 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 2.92 0.02 1.61 1.51 -0.70 -4.02 117.35 116.70 1du4 s TYR 213 Ca 0.00 -0.21 -0.05 0.00 -1.01 0.00 0.00 57.07 55.80 1du4 s TYR 213 Cb 0.00 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1du4 s TYR 213 CO 0.00 0.46 0.08 -1.12 -1.11 0.00 0.00 175.55 173.86 1du4 s SER 214 N -3.83 0.14 -0.02 2.29 0.01 -0.56 -4.33 113.70 107.40 1du4 s SER 214 Ca 0.35 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 57.13 1du4 s SER 214 Cb -0.06 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1du4 s SER 214 CO 0.24 -0.42 0.22 -1.00 0.41 0.00 0.00 173.24 172.69 1du4 s HIS 215 N -1.95 3.57 0.94 2.43 3.76 -1.26 -4.40 115.29 118.38 1du4 s HIS 215 Ca -0.11 0.50 -0.12 0.00 -0.15 0.00 0.00 55.06 55.18 1du4 s HIS 215 Cb -0.05 -1.93 0.15 0.00 1.11 0.00 0.00 32.58 31.86 1du4 s HIS 215 CO -0.02 0.64 1.10 -1.54 -0.85 0.00 0.00 174.74 174.07 1du4 s SER 216 N -1.68 3.16 0.03 1.40 1.04 -1.26 -3.48 113.70 112.91 1du4 s SER 216 Ca 0.26 1.27 0.08 0.00 0.48 0.00 0.00 55.95 58.04 1du4 s SER 216 Cb -0.13 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 1du4 s SER 216 CO 0.15 -2.81 -0.23 -0.55 0.98 0.00 0.00 173.24 170.78 1du4 s SER 217 N -3.55 2.75 0.29 7.02 0.15 -1.26 -4.67 113.70 114.43 1du4 s SER 217 Ca 0.64 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1du4 s SER 217 Cb -0.18 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1du4 s SER 217 CO 0.57 0.22 0.00 -0.81 1.20 0.00 0.00 173.24 174.41 1du4 n PRO 218 N 1.94 1.11 -4.37 5.44 -0.04 -1.26 -4.44 135.00 133.38 1du4 n PRO 218 Ca -0.17 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1du4 n PRO 218 Cb 0.53 0.00 -0.15 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 -0.92 0.94 -0.41 0.54 2.12 -0.59 -4.46 118.70 115.92 1du4 s GLU 219 Ca 0.00 -0.29 -0.05 0.00 0.36 0.00 0.00 54.97 54.99 1du4 s GLU 219 Cb 0.00 -0.88 0.10 0.00 0.26 0.00 0.00 34.13 33.61 1du4 s GLU 219 CO 0.00 0.10 0.22 0.71 -0.54 0.00 0.00 175.26 175.75 1du4 s TYR 220 N 0.24 3.48 -0.33 5.30 2.02 -0.32 0.70 117.35 128.44 1du4 s TYR 220 Ca -0.04 -2.11 -0.12 0.00 -0.37 0.00 0.00 57.07 54.44 1du4 s TYR 220 Cb -0.09 -3.11 -0.01 0.00 -0.40 0.00 0.00 41.96 38.35 1du4 s TYR 220 CO 0.00 -0.94 0.21 -0.46 -1.57 0.00 0.00 175.55 172.79 1du4 s TRP 221 N 1.24 3.21 -0.42 2.71 -0.00 -0.21 -0.30 118.94 125.17 1du4 s TRP 221 Ca 0.05 -0.38 -0.29 0.00 -0.00 0.00 0.00 56.10 55.48 1du4 s TRP 221 Cb -0.23 -2.43 0.03 0.00 -0.00 0.00 0.00 33.47 30.83 1du4 s TRP 221 CO -0.02 -0.41 1.13 0.42 -0.00 0.00 0.00 176.95 178.07 1du4 s ILE 222 N 1.67 4.29 -0.42 5.86 1.01 -0.57 -1.39 121.20 131.65 1du4 s ILE 222 Ca 0.05 1.38 0.23 0.00 0.00 0.00 0.00 60.65 62.32 1du4 s ILE 222 Cb -0.17 -4.53 0.21 0.00 0.01 0.00 0.00 42.46 37.97 1du4 s ILE 222 CO 0.09 -0.84 1.43 0.11 0.00 0.00 0.00 174.94 175.73 1du4 h LYS 223 N 8.91 0.00 -7.13 2.79 1.57 -1.00 0.14 116.57 121.85 1du4 h LYS 223 Ca -0.22 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.04 1du4 h LYS 223 Cb 1.06 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.48 1du4 h LYS 223 CO 1.10 0.00 0.43 -1.54 -0.57 0.00 0.00 179.45 178.87 1du4 s SER 224 N -5.63 5.13 0.84 0.86 1.04 -1.26 -4.87 113.70 109.81 1du4 s SER 224 Ca 0.05 2.26 -0.11 0.00 0.48 0.00 0.00 55.95 58.63 1du4 s SER 224 Cb 0.08 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.71 1du4 s SER 224 CO 0.70 -1.63 1.10 -0.83 0.98 0.00 0.00 173.24 173.57 1du4 s GLY 225 N -1.91 1.66 0.27 7.32 0.00 -1.26 -4.72 107.32 108.68 1du4 s GLY 225 Ca 0.74 0.20 -0.30 0.00 0.00 0.00 0.00 44.72 45.36 1du4 s GLY 225 CO 0.35 0.61 1.53 -1.59 0.00 0.00 0.00 173.10 174.00 1du4 s THR 226 N -2.87 2.32 0.00 0.90 2.01 -1.26 -2.11 115.64 114.64 1du4 s THR 226 Ca 0.63 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1du4 s THR 226 Cb -0.18 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1du4 s THR 226 CO 0.57 0.04 0.00 0.18 -0.69 0.00 0.00 174.62 174.72 1du4 n LEU 227 N 2.24 0.23 -4.47 4.42 4.77 -1.26 -5.00 117.00 117.93 1du4 n LEU 227 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1du4 n LEU 227 Cb 0.39 -0.54 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 1du4 n LEU 227 CO 0.62 -0.15 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.42 1du4 s VAL 228 N -2.83 3.30 0.32 4.08 1.01 -0.90 -5.08 120.40 120.30 1du4 s VAL 228 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1du4 s VAL 228 Cb 0.00 -2.36 -0.13 0.00 0.00 0.00 0.00 36.38 33.90 1du4 s VAL 228 CO 0.00 0.56 1.28 -2.65 0.00 0.00 0.00 175.10 174.29 1du4 n PRO 229 N 2.82 2.04 -3.22 2.72 -0.02 -1.26 -4.71 135.00 133.37 1du4 n PRO 229 Ca -0.18 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 1du4 n PRO 229 Cb 0.53 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1du4 n PRO 229 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1du4 s VAL 230 N -0.92 4.71 0.30 -1.45 1.01 -1.26 -4.88 120.40 117.91 1du4 s VAL 230 Ca 0.58 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.69 1du4 s VAL 230 Cb -0.59 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1du4 s VAL 230 CO 0.60 0.22 -0.06 0.42 0.00 0.00 0.00 175.10 176.28 1du4 s THR 231 N -1.51 1.77 0.53 3.92 -4.23 -1.26 -5.03 115.64 109.84 1du4 s THR 231 Ca 0.41 -2.13 0.37 0.00 -1.18 0.00 0.00 61.69 59.16 1du4 s THR 231 Cb -0.16 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 71.51 1du4 s THR 231 CO 0.20 -0.24 2.13 0.08 -0.54 0.00 0.00 174.62 176.25 1du4 h ARG 232 N 2.18 0.00 -0.00 3.99 0.11 -1.92 -2.12 114.38 116.62 1du4 h ARG 232 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1du4 h ARG 232 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1du4 h ARG 232 CO 0.69 0.00 -0.26 0.09 0.10 0.00 0.00 179.97 180.59 1du4 n ASN 233 N -2.88 0.46 -0.39 0.08 4.13 -1.26 -2.34 115.26 113.06 1du4 n ASN 233 Ca -0.02 -0.26 0.13 0.00 1.68 0.00 0.00 54.58 56.11 1du4 n ASN 233 Cb 0.15 -0.01 0.42 0.00 -1.54 0.00 0.00 39.78 38.80 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 -1.24 1.35 -4.35 6.41 8.00 -0.80 -4.50 116.55 121.42 1du4 n ASP 234 Ca 0.09 -1.22 -0.35 0.00 0.71 0.00 0.00 54.79 54.02 1du4 n ASP 234 Cb 0.32 0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.26 3.46 -0.05 0.53 1.01 -1.24 -0.30 121.20 122.35 1du4 s ILE 235 Ca 0.30 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1du4 s ILE 235 Cb 0.20 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1du4 s ILE 235 CO 0.43 0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 175.05 1du4 s VAL 236 N 1.19 3.68 -0.26 2.92 1.01 -0.49 -3.71 120.40 124.75 1du4 s VAL 236 Ca 0.02 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1du4 s VAL 236 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1du4 s VAL 236 CO -0.01 0.55 0.45 -0.75 0.00 0.00 0.00 175.10 175.34 1du4 s LYS 237 N -0.97 4.06 -0.26 2.72 2.20 -1.26 -1.04 119.74 125.19 1du4 s LYS 237 Ca 0.14 0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 55.90 1du4 s LYS 237 Cb -0.11 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1du4 s LYS 237 CO 0.03 -0.29 0.01 0.42 -0.36 0.00 0.00 175.35 175.16 1du4 s ILE 238 N 2.12 3.58 0.17 5.43 1.01 0.22 -4.94 121.20 128.79 1du4 s ILE 238 Ca 0.19 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 1du4 s ILE 238 Cb -0.16 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1du4 s ILE 238 CO 0.09 0.23 0.38 -1.61 0.00 0.00 0.00 174.94 174.03 1du4 s GLU 239 N 1.46 3.57 0.00 2.79 2.02 -1.26 -1.55 118.70 125.73 1du4 s GLU 239 Ca 0.03 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1du4 s GLU 239 Cb -0.16 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1du4 s GLU 239 CO -0.01 0.44 0.00 0.41 0.02 0.00 0.00 175.26 176.12 1du4 n GLY 240 N -0.24 3.22 3.70 -1.39 0.00 -1.26 -4.78 105.19 104.44 1du4 n GLY 240 Ca -0.03 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1du4 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1du4 s ILE 241 N -0.47 2.89 -1.73 -0.61 1.01 -1.26 -2.42 121.20 118.61 1du4 s ILE 241 Ca 0.00 0.52 -0.00 0.00 0.00 0.00 0.00 60.65 61.17 1du4 s ILE 241 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1du4 s ILE 241 CO 0.00 0.02 0.04 0.47 0.00 0.00 0.00 174.94 175.48 1du4 n ASP 242 N 4.74 -5.84 -4.50 3.58 8.00 -1.23 -4.93 116.55 116.36 1du4 n ASP 242 Ca 0.15 -0.04 -0.37 0.00 0.71 0.00 0.00 54.79 55.24 1du4 n ASP 242 Cb 0.40 -4.84 0.06 0.00 -0.02 0.00 0.00 41.12 36.72 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 -2.11 -0.98 0.13 2.24 0.00 -1.02 -4.96 120.51 113.81 1du4 n ALA 243 Ca -0.23 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.13 1du4 n ALA 243 Cb 0.68 -1.91 0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.05 0.48 1.09 0.00 -2.24 -1.26 -4.42 114.28 105.87 1du4 n THR 244 Ca 0.12 -0.74 0.13 0.00 -2.27 0.00 0.00 64.05 61.29 1du4 n THR 244 Cb 0.49 0.86 0.46 0.00 -2.10 0.00 0.00 70.33 70.03 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 0.42 -1.26 0.00 3.38 0.00 -1.26 -4.40 105.19 102.07 1du4 n GLY 245 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.45 0.93 0.18 -0.02 0.00 -1.26 -4.98 105.19 101.50 1du4 n GLY 246 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -0.81 1.61 -0.73 -1.88 -3.39 115.58 110.38 1du4 h ASN 247 Ca 0.00 0.00 -0.73 0.00 1.87 0.00 0.00 56.30 57.44 1du4 h ASN 247 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 38.49 1du4 h ASN 247 CO 0.00 0.38 2.47 -3.20 -0.37 0.00 0.00 177.43 176.72 1du4 n ASN 248 N -3.49 4.57 -4.42 1.15 5.15 -1.26 -4.90 115.26 112.06 1du4 n ASN 248 Ca -0.00 -2.98 -0.27 0.00 -0.60 0.00 0.00 54.58 50.72 1du4 n ASN 248 Cb 0.53 -1.57 -0.12 0.00 -0.53 0.00 0.00 39.78 38.09 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 1.79 1.50 -1.36 1.20 -0.21 -1.26 -4.39 119.66 116.93 1du4 s GLN 249 Ca 0.43 -1.50 -0.14 0.00 0.02 0.00 0.00 55.36 54.18 1du4 s GLN 249 Cb 0.11 -1.86 0.09 0.00 1.00 0.00 0.00 33.01 32.35 1du4 s GLN 249 CO -0.03 0.41 1.95 -0.35 -2.12 0.00 0.00 175.29 175.15 1du4 n PRO 250 N 0.37 3.14 -4.24 2.91 -0.04 -1.26 -4.87 135.00 131.01 1du4 n PRO 250 Ca -0.13 -3.08 -0.18 0.00 -0.04 0.00 0.00 63.50 60.06 1du4 n PRO 250 Cb 0.55 -3.25 -0.08 0.00 -0.04 0.00 0.00 33.50 30.69 1du4 n PRO 250 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1du4 s ASN 251 N 2.98 1.41 0.03 3.54 2.20 -1.26 -5.12 114.94 118.71 1du4 s ASN 251 Ca 0.47 -1.68 -0.24 0.00 -0.94 0.00 0.00 52.86 50.47 1du4 s ASN 251 Cb 0.09 0.56 -0.05 0.00 -2.00 0.00 0.00 41.25 39.85 1du4 s ASN 251 CO -0.02 -1.09 0.73 0.27 -2.94 0.00 0.00 177.10 174.06 1du4 s ILE 252 N -3.43 4.79 0.86 0.54 -5.25 -1.26 -5.04 121.20 112.41 1du4 s ILE 252 Ca 0.39 1.55 -0.12 0.00 -0.99 0.00 0.00 60.65 61.49 1du4 s ILE 252 Cb 0.02 -4.08 0.15 0.00 2.95 0.00 0.00 42.46 41.50 1du4 s ILE 252 CO 0.25 0.36 1.21 -2.16 -1.79 0.00 0.00 174.94 172.81 1du4 s PRO 253 N 0.01 1.22 0.02 0.37 0.04 -1.26 -4.96 135.00 130.43 1du4 s PRO 253 Ca 0.37 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1du4 s PRO 253 Cb -0.20 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1du4 s PRO 253 CO 0.22 -1.98 -0.03 0.34 0.04 0.00 0.00 177.00 175.59 1du4 s ASP 254 N -4.77 0.22 -0.00 6.66 -1.08 0.25 -4.90 116.67 113.05 1du4 s ASP 254 Ca 0.69 -0.42 -0.21 0.00 -0.52 0.00 0.00 52.55 52.09 1du4 s ASP 254 Cb -0.06 0.08 -0.21 0.00 -1.46 0.00 0.00 42.92 41.27 1du4 s ASP 254 CO 0.50 -0.25 1.14 0.40 0.52 0.00 0.00 175.17 177.48 1du4 h ILE 255 N 4.73 1.44 -0.82 4.11 2.04 -1.97 -3.12 117.51 123.92 1du4 h ILE 255 Ca -0.31 -1.87 0.20 0.00 1.00 0.00 0.00 64.86 63.89 1du4 h ILE 255 Cb 1.21 2.47 -0.05 0.00 -0.74 0.00 0.00 36.82 39.71 1du4 h ILE 255 CO 0.43 0.54 0.56 -0.65 0.00 0.00 0.00 178.15 179.03 1du4 h PRO 256 N -0.18 0.23 0.00 2.37 0.11 -1.97 -0.21 132.00 132.34 1du4 h PRO 256 Ca -0.04 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1du4 h PRO 256 Cb 1.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1du4 h PRO 256 CO 0.08 0.15 -0.21 0.00 -0.21 0.00 0.00 178.00 177.81 1du4 h ALA 257 N 1.62 1.20 0.00 -0.75 0.00 -1.91 -1.69 119.26 117.73 1du4 h ALA 257 Ca 0.41 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1du4 h ALA 257 Cb 1.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1du4 h ALA 257 CO -0.10 0.27 -0.23 1.25 0.00 0.00 0.00 179.25 180.44 1du4 h HIS 258 N 0.00 0.00 -0.19 0.00 6.17 -1.17 -3.25 115.15 116.71 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 0.55 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1du4 h HIS 258 CO 0.00 0.23 0.00 1.28 0.71 0.00 0.00 177.93 180.15 1du4 n LEU 259 N -3.71 1.76 -3.69 0.26 4.77 -0.64 -4.72 117.00 111.03 1du4 n LEU 259 Ca -0.01 -0.75 -0.29 0.00 -0.03 0.00 0.00 56.01 54.92 1du4 n LEU 259 Cb 0.34 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1du4 n LEU 259 CO 0.34 0.38 -0.25 0.86 -1.33 0.00 0.00 177.39 177.38 1du4 s TRP 260 N -1.75 1.87 -0.52 -1.77 -0.11 -1.23 -1.66 118.94 113.77 1du4 s TRP 260 Ca 0.32 -2.36 0.03 0.00 1.22 0.00 0.00 56.10 55.31 1du4 s TRP 260 Cb 0.17 -1.79 0.13 0.00 -1.50 0.00 0.00 33.47 30.48 1du4 s TRP 260 CO 0.25 -0.78 0.26 0.71 -4.62 0.00 0.00 176.95 172.78 1du4 s TYR 261 N 0.39 3.23 0.00 5.86 1.51 -1.26 -4.81 117.35 122.26 1du4 s TYR 261 Ca 0.18 -3.13 0.00 0.00 -1.01 0.00 0.00 57.07 53.11 1du4 s TYR 261 Cb -0.23 -2.86 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1du4 s TYR 261 CO -0.00 -0.76 0.00 1.19 -1.11 0.00 0.00 175.55 174.87 1du4 n PHE 262 N 3.19 0.00 -3.86 2.71 3.72 -1.26 -4.73 117.46 117.23 1du4 n PHE 262 Ca 0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 1du4 n PHE 262 Cb 0.33 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1du4 n PHE 262 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1du4 s GLY 263 N -0.02 0.64 0.39 1.37 0.00 -1.26 -4.60 107.32 103.85 1du4 s GLY 263 Ca 0.00 -0.95 -0.27 0.00 0.00 0.00 0.00 44.72 43.50 1du4 s GLY 263 CO 0.00 -0.47 1.41 -2.27 0.00 0.00 0.00 173.10 171.77 1du4 s LEU 264 N -3.12 4.28 -0.07 0.66 2.96 -1.26 -4.47 118.68 117.65 1du4 s LEU 264 Ca 0.19 2.88 -0.13 0.00 -0.22 0.00 0.00 54.13 56.85 1du4 s LEU 264 Cb -0.04 -3.76 0.03 0.00 0.50 0.00 0.00 46.19 42.91 1du4 s LEU 264 CO 0.14 -0.87 0.32 -0.51 -1.32 0.00 0.00 176.35 174.11 1du4 s ILE 265 N -1.17 0.03 0.00 6.68 2.07 -0.67 -4.86 121.20 123.29 1du4 s ILE 265 Ca 0.54 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 1du4 s ILE 265 Cb -0.43 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.62 1du4 s ILE 265 CO 0.57 -0.13 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 1du4 n GLY 266 N 2.07 0.67 0.00 1.50 0.00 -1.26 -4.50 105.19 103.67 1du4 n GLY 266 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.62 0.00 -1.69 2.61 -2.24 -1.26 -4.96 114.28 104.12 1du4 n THR 267 Ca 0.00 -0.33 -0.44 0.00 -2.27 0.00 0.00 64.05 61.01 1du4 n THR 267 Cb 0.00 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 1du4 n THR 267 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50