#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 2.82 0.71 2.62 -7.23 -1.03 -4.77 120.40 113.52 1du4 s VAL 2 Ca 0.00 -2.15 -0.11 0.00 -1.81 0.00 0.00 61.98 57.91 1du4 s VAL 2 Cb 0.00 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1du4 s VAL 2 CO 0.00 -0.33 1.07 -0.94 -0.31 0.00 0.00 175.10 174.58 1du4 s SER 3 N -3.40 5.20 0.32 4.85 1.04 -1.26 -4.70 113.70 115.75 1du4 s SER 3 Ca 0.29 1.62 0.02 0.00 0.48 0.00 0.00 55.95 58.36 1du4 s SER 3 Cb -0.06 -2.47 0.58 0.00 0.10 0.00 0.00 66.02 64.18 1du4 s SER 3 CO 0.16 -1.56 1.95 -0.61 0.98 0.00 0.00 173.24 174.16 1du4 h GLN 4 N -0.80 0.92 -0.25 4.02 5.75 -1.98 0.89 115.11 123.67 1du4 h GLN 4 Ca -0.44 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 1du4 h GLN 4 Cb 1.22 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1du4 h GLN 4 CO 0.56 0.61 0.00 0.22 -2.65 0.00 0.00 178.83 177.57 1du4 h ASP 5 N 0.95 0.43 -0.29 -0.69 3.58 -1.99 -0.50 116.42 117.90 1du4 h ASP 5 Ca 0.33 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1du4 h ASP 5 Cb 0.11 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1du4 h ASP 5 CO -0.10 0.63 0.12 0.25 -2.88 0.00 0.00 179.24 177.26 1du4 h LEU 6 N 0.21 0.40 -0.59 2.28 5.85 -1.85 -2.38 115.31 119.23 1du4 h LEU 6 Ca 0.07 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.75 1du4 h LEU 6 Cb 0.41 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.23 1du4 h LEU 6 CO 0.01 0.45 -0.11 0.15 -0.34 0.00 0.00 178.44 178.60 1du4 h PHE 7 N 0.33 -0.24 -0.57 1.25 3.57 -0.75 -0.03 116.94 120.50 1du4 h PHE 7 Ca 0.10 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1du4 h PHE 7 Cb 0.17 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1du4 h PHE 7 CO -0.01 -0.23 0.30 -0.91 -2.23 0.00 0.00 178.31 175.23 1du4 h ASN 8 N 0.03 0.70 -0.36 0.41 2.35 -0.86 -0.92 115.58 116.92 1du4 h ASN 8 Ca 0.29 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.93 1du4 h ASN 8 Cb 0.45 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1du4 h ASN 8 CO -0.58 0.58 -0.00 1.56 -1.65 0.00 0.00 177.43 177.33 1du4 h GLN 9 N 0.79 0.64 -0.60 0.81 4.20 -0.85 1.00 115.11 121.09 1du4 h GLN 9 Ca 0.20 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1du4 h GLN 9 Cb 0.04 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1du4 h GLN 9 CO -0.03 0.75 0.36 0.74 -0.67 0.00 0.00 178.83 179.98 1du4 h PHE 10 N 0.46 0.81 -0.40 2.96 0.04 -0.65 -0.89 116.94 119.27 1du4 h PHE 10 Ca 0.10 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.72 1du4 h PHE 10 Cb 0.46 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1du4 h PHE 10 CO 0.04 0.56 -0.32 -0.97 -0.60 0.00 0.00 178.31 177.02 1du4 h ASN 11 N 0.82 0.94 -0.50 2.17 -1.24 -1.09 -1.48 115.58 115.20 1du4 h ASN 11 Ca 0.22 -0.40 -0.08 0.00 0.71 0.00 0.00 56.30 56.75 1du4 h ASN 11 Cb -0.00 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1du4 h ASN 11 CO -0.04 1.17 -0.02 0.25 -1.29 0.00 0.00 177.43 177.51 1du4 h LEU 12 N 0.75 0.88 0.00 0.34 5.85 -0.16 -2.90 115.31 120.07 1du4 h LEU 12 Ca 0.08 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1du4 h LEU 12 Cb 0.89 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1du4 h LEU 12 CO 0.08 0.98 -0.11 -0.26 -0.34 0.00 0.00 178.44 178.79 1du4 h PHE 13 N 0.75 0.00 -0.53 1.25 0.04 -1.12 -1.92 116.94 115.41 1du4 h PHE 13 Ca 0.14 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 1du4 h PHE 13 Cb 0.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1du4 h PHE 13 CO 0.04 0.00 0.02 0.00 -0.60 0.00 0.00 178.31 177.77 1du4 h ALA 14 N 2.39 1.04 -0.16 2.45 0.00 -1.07 -1.27 119.26 122.64 1du4 h ALA 14 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1du4 h ALA 14 Cb 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1du4 h ALA 14 CO 0.00 0.60 -0.42 1.96 0.00 0.00 0.00 179.25 181.39 1du4 h GLN 15 N 0.82 0.58 -0.73 0.00 4.20 -1.29 0.16 115.11 118.85 1du4 h GLN 15 Ca 0.16 -0.40 0.10 0.00 0.06 0.00 0.00 58.65 58.57 1du4 h GLN 15 Cb 0.46 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 1du4 h GLN 15 CO 0.02 1.02 0.36 1.88 -0.67 0.00 0.00 178.83 181.43 1du4 h TYR 16 N 0.23 0.63 -0.62 2.96 0.05 -1.33 0.15 116.97 119.04 1du4 h TYR 16 Ca -0.01 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 1du4 h TYR 16 Cb 1.04 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 1du4 h TYR 16 CO 0.10 0.21 0.10 0.77 -1.05 0.00 0.00 178.16 178.28 1du4 h SER 17 N 0.59 0.97 -0.14 3.88 0.02 -0.90 -2.97 113.55 115.00 1du4 h SER 17 Ca 0.37 -0.22 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1du4 h SER 17 Cb 0.42 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1du4 h SER 17 CO -0.29 0.97 -0.39 0.00 -1.14 0.00 0.00 176.83 175.99 1du4 h ALA 18 N 1.14 0.79 -0.74 3.77 0.00 0.12 -2.92 119.26 121.42 1du4 h ALA 18 Ca 0.19 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1du4 h ALA 18 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1du4 h ALA 18 CO 0.01 0.65 0.48 0.00 0.00 0.00 0.00 179.25 180.40 1du4 h ALA 19 N 1.02 1.78 -0.71 0.00 0.00 -0.61 -1.24 119.26 119.50 1du4 h ALA 19 Ca 0.05 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1du4 h ALA 19 Cb 0.91 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1du4 h ALA 19 CO 0.08 0.08 0.47 0.00 0.00 0.00 0.00 179.25 179.88 1du4 h ALA 20 N 1.62 1.90 -0.49 0.00 0.00 -1.36 -0.29 119.26 120.64 1du4 h ALA 20 Ca 0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1du4 h ALA 20 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1du4 h ALA 20 CO -0.12 -0.06 0.15 1.88 0.00 0.00 0.00 179.25 181.10 1du4 h TYR 21 N 0.57 0.74 -2.32 0.00 0.05 -1.35 -3.43 116.97 111.23 1du4 h TYR 21 Ca 0.33 -0.05 -0.55 0.00 0.05 0.00 0.00 58.73 58.51 1du4 h TYR 21 Cb 0.53 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.06 1du4 h TYR 21 CO -0.00 0.62 1.28 0.00 -1.05 0.00 0.00 178.16 179.01 1du4 h GLY 23 N 11.76 1.30 2.00 0.00 0.00 -1.67 -0.42 103.07 116.03 1du4 h GLY 23 Ca -0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1du4 h GLY 23 CO 0.95 -0.11 -0.04 1.70 0.00 0.00 0.00 176.54 179.04 1du4 h LYS 24 N 0.47 0.00 -0.29 4.80 1.63 -1.89 -1.14 116.57 120.15 1du4 h LYS 24 Ca 0.58 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.38 1du4 h LYS 24 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1du4 h LYS 24 CO -0.30 0.04 0.00 0.09 -3.45 0.00 0.00 179.45 175.83 1du4 n ASN 25 N -3.50 2.31 -0.05 4.20 3.02 -0.17 -3.85 115.26 117.23 1du4 n ASN 25 Ca -0.02 -1.85 0.08 0.00 -0.03 0.00 0.00 54.58 52.76 1du4 n ASN 25 Cb 0.15 -0.19 -0.09 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 0.75 0.92 -2.69 6.41 5.03 -0.43 -4.46 115.26 120.78 1du4 n ASN 26 Ca 0.17 -0.96 -0.07 0.00 0.87 0.00 0.00 54.58 54.59 1du4 n ASN 26 Cb 0.42 0.94 0.09 0.00 -1.02 0.00 0.00 39.78 40.21 1du4 n ASN 26 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1du4 n ASP 27 N -1.26 -0.88 -4.90 6.41 5.75 -1.25 -1.03 116.55 119.38 1du4 n ASP 27 Ca 0.04 -2.50 -0.31 0.00 -0.01 0.00 0.00 54.79 52.01 1du4 n ASP 27 Cb 0.28 0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 40.87 1du4 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1du4 s ALA 28 N -0.81 3.83 0.37 2.12 0.00 -1.25 -5.06 121.76 120.96 1du4 s ALA 28 Ca 0.23 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 1du4 s ALA 28 Cb 0.42 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 21.38 1du4 s ALA 28 CO -0.06 0.68 1.23 -2.14 0.00 0.00 0.00 175.76 175.48 1du4 s PRO 29 N -2.68 4.18 0.51 0.00 0.02 -1.26 -4.52 135.00 131.25 1du4 s PRO 29 Ca 0.40 2.01 -0.22 0.00 0.02 0.00 0.00 61.00 63.21 1du4 s PRO 29 Cb -0.12 -2.86 -0.07 0.00 0.02 0.00 0.00 34.50 31.47 1du4 s PRO 29 CO 0.26 -0.26 1.19 0.00 -0.33 0.00 0.00 177.00 177.85 1du4 n ALA 30 N 0.41 0.97 0.00 -1.55 0.00 -1.26 -2.21 120.51 116.88 1du4 n ALA 30 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1du4 n ALA 30 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1du4 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1du4 n GLY 31 N 0.96 2.83 3.65 0.00 0.00 0.10 -4.94 105.19 107.79 1du4 n GLY 31 Ca 0.10 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 0.79 -3.19 2.61 -1.04 -0.94 -4.56 114.28 107.95 1du4 n THR 32 Ca 0.00 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.52 1du4 n THR 32 Cb 0.00 -1.03 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 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 -2.36 7.03 -0.39 8.00 0.01 -1.26 -0.80 114.94 125.17 1du4 s ASN 33 Ca 0.68 1.23 -0.29 0.00 -0.71 0.00 0.00 52.86 53.77 1du4 s ASN 33 Cb -0.25 -2.38 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1du4 s ASN 33 CO 0.56 0.14 1.21 -0.63 -1.51 0.00 0.00 177.10 176.87 1du4 s ILE 34 N -0.42 4.21 0.22 0.60 1.01 -0.33 -4.88 121.20 121.61 1du4 s ILE 34 Ca 0.31 1.31 0.10 0.00 0.00 0.00 0.00 60.65 62.38 1du4 s ILE 34 Cb -0.19 -4.38 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 1du4 s ILE 34 CO 0.18 -0.71 -0.20 0.42 0.00 0.00 0.00 174.94 174.63 1du4 s THR 35 N 4.41 2.17 -0.05 2.92 -4.23 -1.26 -4.37 115.64 115.23 1du4 s THR 35 Ca 0.52 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1du4 s THR 35 Cb -0.12 -2.10 0.01 0.00 1.34 0.00 0.00 72.50 71.63 1du4 s THR 35 CO 0.26 -0.32 -0.12 0.00 -0.54 0.00 0.00 174.62 173.89 1du4 s THR 37 N 0.40 3.28 -0.96 0.00 -4.23 -1.26 -3.73 115.64 109.14 1du4 s THR 37 Ca -0.09 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 1du4 s THR 37 Cb -0.13 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1du4 s THR 37 CO 0.02 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1du4 n GLY 38 N -1.86 1.07 3.73 3.99 0.00 -1.26 -3.28 105.19 107.58 1du4 n GLY 38 Ca 0.07 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 0.24 -5.16 -0.81 1.61 4.13 -1.24 -4.91 115.26 109.11 1du4 n ASN 39 Ca -0.09 -0.67 0.10 0.00 1.68 0.00 0.00 54.58 55.60 1du4 n ASN 39 Cb 0.33 -4.48 0.10 0.00 -1.54 0.00 0.00 39.78 34.19 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 -4.78 2.45 -2.89 5.41 0.00 -1.20 -4.56 120.51 114.93 1du4 n ALA 40 Ca -0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 1du4 n ALA 40 Cb 0.56 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 19.39 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 2.91 0.03 0.00 0.00 0.13 -1.95 -1.89 132.00 131.23 1du4 h PRO 42 Ca -0.04 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 1du4 h PRO 42 Cb 1.08 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1du4 h PRO 42 CO 0.28 0.27 -0.32 0.93 -0.23 0.00 0.00 178.00 178.92 1du4 h GLU 43 N 0.03 0.00 -0.09 0.86 4.39 -1.96 -0.59 114.58 117.22 1du4 h GLU 43 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1du4 h GLU 43 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1du4 h GLU 43 CO 0.03 0.32 -0.36 0.28 -1.16 0.00 0.00 179.01 178.13 1du4 h VAL 44 N 0.00 1.40 -0.49 3.13 2.07 -1.71 -3.19 116.25 117.46 1du4 h VAL 44 Ca -0.00 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.72 1du4 h VAL 44 Cb 0.93 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 1du4 h VAL 44 CO 0.04 0.50 -0.00 -0.33 0.02 0.00 0.00 177.57 177.80 1du4 h GLU 45 N -0.04 0.83 0.00 1.57 5.08 -1.19 -2.76 114.58 118.06 1du4 h GLU 45 Ca -0.02 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1du4 h GLU 45 Cb 1.00 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1du4 h GLU 45 CO 0.08 0.83 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.57 1du4 h LYS 46 N 0.77 0.00 -7.42 2.33 3.64 -1.19 -3.44 116.57 111.26 1du4 h LYS 46 Ca 0.15 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 59.07 1du4 h LYS 46 Cb 0.47 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.37 1du4 h LYS 46 CO 0.02 0.13 0.29 0.00 -2.27 0.00 0.00 179.45 177.61 1du4 s ALA 47 N -4.69 2.98 -1.44 5.00 0.00 -1.04 -4.96 121.76 117.61 1du4 s ALA 47 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1du4 s ALA 47 Cb 0.16 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 20.63 1du4 s ALA 47 CO 0.67 -1.48 2.39 -3.47 0.00 0.00 0.00 175.76 173.87 1du4 n ASP 48 N -3.08 6.34 -4.48 0.00 2.03 -1.26 -4.92 116.55 111.19 1du4 n ASP 48 Ca 0.09 -2.88 -0.43 0.00 0.52 0.00 0.00 54.79 52.09 1du4 n ASP 48 Cb 0.61 -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 1.45 3.45 0.19 -1.67 0.00 -1.26 -2.89 121.76 121.03 1du4 s ALA 49 Ca 0.53 -1.58 0.10 0.00 0.00 0.00 0.00 51.96 51.01 1du4 s ALA 49 Cb 0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1du4 s ALA 49 CO -0.06 -1.53 -0.21 0.95 0.00 0.00 0.00 175.76 174.91 1du4 s THR 50 N 1.97 2.13 0.18 0.00 -4.23 -0.23 -1.18 115.64 114.27 1du4 s THR 50 Ca 0.10 -2.04 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 1du4 s THR 50 Cb -0.18 -2.03 -0.08 0.00 1.34 0.00 0.00 72.50 71.56 1du4 s THR 50 CO 0.12 -0.24 1.18 -0.36 -0.54 0.00 0.00 174.62 174.78 1du4 s PHE 51 N -1.96 3.45 -0.19 3.99 0.08 0.02 -0.05 117.98 123.32 1du4 s PHE 51 Ca 0.20 1.44 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 1du4 s PHE 51 Cb -0.06 -3.41 -0.10 0.00 -0.57 0.00 0.00 43.02 38.88 1du4 s PHE 51 CO 0.09 -1.12 -0.22 1.28 -0.10 0.00 0.00 175.22 175.15 1du4 n LEU 52 N 2.58 2.09 -3.73 -0.37 4.77 0.60 -0.72 117.00 122.22 1du4 n LEU 52 Ca 0.04 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1du4 n LEU 52 Cb 0.45 -0.62 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1du4 n LEU 52 CO 0.55 0.59 -0.01 -0.47 -1.33 0.00 0.00 177.39 176.73 1du4 s TYR 53 N -2.37 -0.44 -0.00 -1.77 5.04 -0.95 -4.72 117.35 112.14 1du4 s TYR 53 Ca -0.27 1.01 0.08 0.00 -2.44 0.00 0.00 57.07 55.45 1du4 s TYR 53 Cb 0.09 0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.53 1du4 s TYR 53 CO 0.39 -0.25 -0.25 0.45 -1.34 0.00 0.00 175.55 174.55 1du4 s SER 54 N 0.83 3.22 -0.02 4.32 0.15 -1.26 0.39 113.70 121.32 1du4 s SER 54 Ca -0.05 -0.47 -0.23 0.00 0.70 0.00 0.00 55.95 55.90 1du4 s SER 54 Cb -0.06 -0.39 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1du4 s SER 54 CO -0.06 0.30 0.49 0.72 1.20 0.00 0.00 173.24 175.90 1du4 s PHE 55 N -0.69 -0.41 -0.13 3.44 -0.12 -0.20 -4.78 117.98 115.09 1du4 s PHE 55 Ca 0.11 0.65 -0.11 0.00 -0.05 0.00 0.00 56.93 57.53 1du4 s PHE 55 Cb -0.10 0.26 0.04 0.00 -0.63 0.00 0.00 43.02 42.59 1du4 s PHE 55 CO 0.00 -0.52 0.33 -2.00 -0.05 0.00 0.00 175.22 172.99 1du4 s GLU 56 N -1.47 0.37 -1.34 1.99 2.12 -1.24 -1.52 118.70 117.62 1du4 s GLU 56 Ca -0.11 0.50 -0.11 0.00 0.36 0.00 0.00 54.97 55.61 1du4 s GLU 56 Cb -0.02 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.52 1du4 s GLU 56 CO 0.06 -0.07 0.47 -0.25 -0.54 0.00 0.00 175.26 174.93 1du4 n ASP 57 N 3.14 -1.86 -4.95 -1.70 8.00 -1.08 -4.87 116.55 113.23 1du4 n ASP 57 Ca -0.15 -1.11 -0.25 0.00 0.71 0.00 0.00 54.79 53.99 1du4 n ASP 57 Cb 0.57 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.12 39.03 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 -4.03 6.34 0.69 -2.24 0.15 -0.72 -4.68 113.70 109.22 1du4 s SER 58 Ca 0.19 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1du4 s SER 58 Cb -0.09 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1du4 s SER 58 CO 0.92 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.99 1du4 n GLY 59 N -0.73 1.05 0.12 9.45 0.00 -1.26 -1.25 105.19 112.56 1du4 n GLY 59 Ca -0.07 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 1.48 -0.69 1.61 2.07 -1.87 -3.36 116.25 115.49 1du4 h VAL 60 Ca 0.00 -2.54 -0.27 0.00 0.82 0.00 0.00 66.70 64.71 1du4 h VAL 60 Cb 0.00 3.18 -0.16 0.00 -1.52 0.00 0.00 31.29 32.78 1du4 h VAL 60 CO 0.00 0.72 0.34 0.61 0.02 0.00 0.00 177.57 179.27 1du4 n GLY 61 N 1.68 3.56 3.64 2.17 0.00 -1.26 -4.90 105.19 110.07 1du4 n GLY 61 Ca -0.15 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.35 -2.20 -4.65 1.61 9.92 -1.20 -4.87 116.55 114.81 1du4 n ASP 62 Ca 0.39 -0.82 -0.42 0.00 -0.53 0.00 0.00 54.79 53.41 1du4 n ASP 62 Cb 1.31 -4.14 -0.03 0.00 -0.64 0.00 0.00 41.12 37.62 1du4 n ASP 62 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1du4 s VAL 63 N -3.60 3.44 0.09 2.53 1.01 -0.38 -3.68 120.40 119.80 1du4 s VAL 63 Ca 0.10 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.67 1du4 s VAL 63 Cb -0.03 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1du4 s VAL 63 CO 0.81 -0.10 -0.18 -0.89 0.00 0.00 0.00 175.10 174.74 1du4 s THR 64 N 4.77 1.43 -5.00 3.92 2.01 -1.26 -1.76 115.64 119.74 1du4 s THR 64 Ca 0.78 -1.44 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1du4 s THR 64 Cb -0.33 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1du4 s THR 64 CO 0.32 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1du4 n GLY 65 N 1.16 0.31 3.49 4.40 0.00 -0.58 -0.02 105.19 113.95 1du4 n GLY 65 Ca -0.20 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.29 0.11 -0.19 1.61 -0.12 -0.68 -1.65 117.98 113.77 1du4 s PHE 66 Ca 0.00 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1du4 s PHE 66 Cb 0.00 0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.64 1du4 s PHE 66 CO 0.00 -0.88 -0.17 -1.17 -0.05 0.00 0.00 175.22 172.95 1du4 s LEU 67 N -2.93 2.35 0.19 -1.99 2.96 0.16 -0.74 118.68 118.68 1du4 s LEU 67 Ca 0.14 -0.69 0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1du4 s LEU 67 Cb 0.00 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1du4 s LEU 67 CO 0.00 -0.02 -0.13 0.00 -1.32 0.00 0.00 176.35 174.88 1du4 s ALA 68 N 1.30 2.86 -0.18 5.97 0.00 0.09 -0.29 121.76 131.50 1du4 s ALA 68 Ca 0.04 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 1du4 s ALA 68 Cb -0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1du4 s ALA 68 CO -0.11 0.45 -0.01 -1.17 0.00 0.00 0.00 175.76 174.92 1du4 s LEU 69 N -2.84 3.29 -0.36 0.00 2.96 0.93 -1.79 118.68 120.87 1du4 s LEU 69 Ca 0.24 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1du4 s LEU 69 Cb -0.08 -1.82 0.11 0.00 0.50 0.00 0.00 46.19 44.89 1du4 s LEU 69 CO 0.14 0.11 0.10 -0.62 -1.32 0.00 0.00 176.35 174.75 1du4 s ASP 70 N 0.75 4.47 0.23 3.68 -1.08 -0.53 -1.07 116.67 123.13 1du4 s ASP 70 Ca -0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 52.55 49.83 1du4 s ASP 70 Cb -0.14 -1.41 0.24 0.00 -1.46 0.00 0.00 42.92 40.16 1du4 s ASP 70 CO 0.02 -0.37 1.73 0.78 0.52 0.00 0.00 175.17 177.86 1du4 h ASN 71 N 7.55 0.88 -0.22 -0.34 2.35 -1.81 0.02 115.58 124.02 1du4 h ASN 71 Ca -0.07 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1du4 h ASN 71 Cb 1.00 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1du4 h ASN 71 CO 0.52 0.92 0.10 0.74 -1.65 0.00 0.00 177.43 178.07 1du4 h THR 72 N 0.86 1.14 -0.02 2.81 2.02 -1.93 -2.97 112.91 114.82 1du4 h THR 72 Ca 0.17 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1du4 h THR 72 Cb 0.45 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1du4 h THR 72 CO 0.02 0.14 -0.16 0.59 0.37 0.00 0.00 175.52 176.47 1du4 n ASN 73 N -4.84 1.74 -3.41 4.18 3.02 -1.22 -4.98 115.26 109.74 1du4 n ASN 73 Ca -0.03 -1.41 -0.20 0.00 -0.03 0.00 0.00 54.58 52.91 1du4 n ASN 73 Cb 0.10 0.13 0.06 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.11 -2.63 -4.24 3.52 5.02 -0.13 -4.91 118.16 114.90 1du4 n LYS 74 Ca 0.14 0.75 -0.20 0.00 -2.02 0.00 0.00 58.31 56.98 1du4 n LYS 74 Cb 0.42 -5.36 -0.12 0.00 -0.02 0.00 0.00 35.03 29.95 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 -5.85 2.35 -0.24 -0.35 1.43 -0.47 -1.67 118.68 113.89 1du4 s LEU 75 Ca 0.38 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1du4 s LEU 75 Cb -0.08 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1du4 s LEU 75 CO 0.77 -0.07 -0.13 -0.63 0.23 0.00 0.00 176.35 176.53 1du4 s ILE 76 N -1.70 2.25 -0.27 -0.59 1.01 0.31 -1.45 121.20 120.76 1du4 s ILE 76 Ca 0.06 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.32 1du4 s ILE 76 Cb -0.07 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1du4 s ILE 76 CO 0.04 0.16 0.02 -0.69 0.00 0.00 0.00 174.94 174.47 1du4 s VAL 77 N 1.19 3.52 -0.51 2.92 1.01 -0.74 -1.03 120.40 126.76 1du4 s VAL 77 Ca -0.04 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1du4 s VAL 77 Cb -0.18 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.50 1du4 s VAL 77 CO -0.07 0.15 0.51 -0.22 0.00 0.00 0.00 175.10 175.46 1du4 s LEU 78 N 1.43 5.54 -0.28 3.92 2.96 -0.31 -0.73 118.68 131.22 1du4 s LEU 78 Ca 0.02 -1.33 -0.08 0.00 -0.22 0.00 0.00 54.13 52.52 1du4 s LEU 78 Cb -0.17 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1du4 s LEU 78 CO -0.00 -0.80 0.10 -0.55 -1.32 0.00 0.00 176.35 173.77 1du4 s SER 79 N 2.94 5.27 -0.08 3.68 0.15 0.08 -0.97 113.70 124.76 1du4 s SER 79 Ca 0.07 -0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.22 1du4 s SER 79 Cb -0.24 -1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 1du4 s SER 79 CO 0.07 -0.11 0.26 -0.36 1.20 0.00 0.00 173.24 174.30 1du4 s PHE 80 N 1.59 3.63 0.20 3.44 0.08 0.48 -1.68 117.98 125.71 1du4 s PHE 80 Ca 0.05 0.71 -0.06 0.00 0.12 0.00 0.00 56.93 57.75 1du4 s PHE 80 Cb -0.16 -2.13 -0.06 0.00 -0.57 0.00 0.00 43.02 40.10 1du4 s PHE 80 CO 0.04 0.63 0.46 0.50 -0.10 0.00 0.00 175.22 176.75 1du4 s ARG 81 N -0.82 3.68 0.00 0.44 3.00 0.97 -3.79 118.95 122.44 1du4 s ARG 81 Ca 0.18 0.04 0.00 0.00 -1.00 0.00 0.00 55.73 54.96 1du4 s ARG 81 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 34.95 32.06 1du4 s ARG 81 CO 0.07 0.38 0.00 0.41 0.00 0.00 0.00 175.30 176.16 1du4 n GLY 82 N -0.16 0.46 3.76 8.12 0.00 -1.25 -3.11 105.19 113.00 1du4 n GLY 82 Ca -0.01 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 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 7.53 0.41 1.61 0.15 -1.26 -4.84 113.70 116.30 1du4 s SER 83 Ca 0.00 1.97 0.07 0.00 0.70 0.00 0.00 55.95 58.69 1du4 s SER 83 Cb 0.00 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.56 1du4 s SER 83 CO 0.00 0.07 2.06 -0.09 1.20 0.00 0.00 173.24 176.48 1du4 h ARG 84 N 3.90 0.53 -3.19 5.44 1.12 -1.96 -3.31 114.38 116.90 1du4 h ARG 84 Ca -0.46 -0.03 -0.63 0.00 -1.11 0.00 0.00 59.98 57.75 1du4 h ARG 84 Cb 1.20 -0.12 -0.41 0.00 -0.01 0.00 0.00 29.97 30.64 1du4 h ARG 84 CO 0.67 0.36 -0.67 0.45 -3.11 0.00 0.00 179.97 177.67 1du4 s SER 85 N -6.70 4.09 0.12 -3.80 0.15 -1.26 -5.00 113.70 101.30 1du4 s SER 85 Ca -0.08 -3.00 -0.31 0.00 0.70 0.00 0.00 55.95 53.26 1du4 s SER 85 Cb 0.17 -1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 62.98 1du4 s SER 85 CO 0.73 -0.22 1.58 0.40 1.20 0.00 0.00 173.24 176.93 1du4 h ILE 86 N 5.26 0.14 -0.95 6.45 1.08 -1.95 -1.95 117.51 125.58 1du4 h ILE 86 Ca -0.02 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.66 1du4 h ILE 86 Cb 0.89 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 34.69 1du4 h ILE 86 CO 0.62 0.00 0.62 1.05 -0.69 0.00 0.00 178.15 179.75 1du4 h GLU 87 N -0.60 0.47 -0.07 2.37 4.11 -1.94 0.21 114.58 119.14 1du4 h GLU 87 Ca 0.04 -0.03 -0.21 0.00 0.07 0.00 0.00 59.36 59.23 1du4 h GLU 87 Cb 0.66 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1du4 h GLU 87 CO -0.31 0.31 -0.83 -0.97 0.07 0.00 0.00 179.01 177.29 1du4 h ASN 88 N 0.49 0.65 0.13 3.06 -0.73 -1.82 -0.93 115.58 116.43 1du4 h ASN 88 Ca 0.51 -0.46 -0.13 0.00 1.87 0.00 0.00 56.30 58.09 1du4 h ASN 88 Cb 1.17 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 1du4 h ASN 88 CO -0.24 1.24 -0.47 -0.25 -0.37 0.00 0.00 177.43 177.34 1du4 h TRP 89 N 0.34 0.48 -0.13 0.67 7.01 -0.42 -2.67 115.95 121.24 1du4 h TRP 89 Ca -0.06 -0.15 -0.03 0.00 2.11 0.00 0.00 58.89 60.76 1du4 h TRP 89 Cb 1.44 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 28.40 1du4 h TRP 89 CO 0.06 0.80 -0.05 0.82 -2.79 0.00 0.00 178.44 177.29 1du4 h ILE 90 N 0.32 1.31 0.00 2.65 2.04 -0.40 -2.53 117.51 120.90 1du4 h ILE 90 Ca 0.02 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1du4 h ILE 90 Cb 0.95 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1du4 h ILE 90 CO 0.08 0.30 0.00 1.23 0.00 0.00 0.00 178.15 179.76 1du4 h GLY 91 N -0.08 0.00 -0.71 5.37 0.00 -1.16 -1.52 103.07 104.97 1du4 h GLY 91 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1du4 h GLY 91 CO 0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.26 1du4 n ASN 92 N -2.97 2.63 -4.70 0.19 3.02 -1.01 -5.05 115.26 107.36 1du4 n ASN 92 Ca -0.00 -2.21 -0.42 0.00 -0.03 0.00 0.00 54.58 51.91 1du4 n ASN 92 Cb 0.24 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.38 4.35 0.12 3.41 2.96 -0.57 -4.99 118.68 122.59 1du4 s LEU 93 Ca 0.17 2.35 -0.19 0.00 -0.22 0.00 0.00 54.13 56.25 1du4 s LEU 93 Cb 0.11 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.16 1du4 s LEU 93 CO 0.08 -0.76 0.61 0.21 -1.32 0.00 0.00 176.35 175.17 1du4 s ASN 94 N 1.68 7.04 -0.35 3.68 3.84 -1.26 -5.02 114.94 124.56 1du4 s ASN 94 Ca 0.68 1.28 0.09 0.00 0.21 0.00 0.00 52.86 55.12 1du4 s ASN 94 Cb -0.37 -2.37 0.74 0.00 -0.55 0.00 0.00 41.25 38.70 1du4 s ASN 94 CO 0.30 0.19 1.84 0.49 -2.79 0.00 0.00 177.10 177.13 1du4 n PHE 95 N 1.34 2.60 -2.45 0.43 3.72 -1.26 -4.94 117.46 116.91 1du4 n PHE 95 Ca -0.08 -1.32 -0.41 0.00 -0.05 0.00 0.00 57.45 55.59 1du4 n PHE 95 Cb 0.51 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 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 -1.07 7.15 0.38 4.37 1.01 -1.26 -4.90 116.67 122.35 1du4 s ASP 96 Ca 0.56 2.10 0.03 0.00 0.71 0.00 0.00 52.55 55.95 1du4 s ASP 96 Cb 0.45 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 1du4 s ASP 96 CO 0.13 -0.35 0.56 -0.76 0.21 0.00 0.00 175.17 174.97 1du4 s LEU 97 N 0.15 3.84 -0.27 1.23 1.43 -1.26 0.13 118.68 123.93 1du4 s LEU 97 Ca 0.53 0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.48 1du4 s LEU 97 Cb -0.30 -2.97 0.07 0.00 0.03 0.00 0.00 46.19 43.02 1du4 s LEU 97 CO 0.33 -0.53 0.72 -1.59 0.23 0.00 0.00 176.35 175.51 1du4 s LYS 98 N -4.35 0.80 0.32 1.70 -2.85 -0.04 -4.49 119.74 110.83 1du4 s LYS 98 Ca 0.46 1.04 -0.29 0.00 -1.00 0.00 0.00 55.97 56.18 1du4 s LYS 98 Cb -0.10 0.34 -0.12 0.00 -2.06 0.00 0.00 37.83 35.89 1du4 s LYS 98 CO 0.34 -0.11 1.35 -0.85 0.10 0.00 0.00 175.35 176.19 1du4 n GLU 99 N 3.06 2.18 -2.60 1.78 -0.00 -1.26 -1.26 120.64 122.55 1du4 n GLU 99 Ca -0.15 0.77 -0.16 0.00 -0.00 0.00 0.00 57.16 57.61 1du4 n GLU 99 Cb 0.56 -2.39 0.02 0.00 -0.00 0.00 0.00 31.44 29.62 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 0.86 1.52 -0.33 3.84 -5.35 -0.36 -4.84 119.36 114.69 1du4 n ILE 100 Ca 0.06 -3.81 0.18 0.00 -0.27 0.00 0.00 62.75 58.91 1du4 n ILE 100 Cb 0.35 -0.10 0.38 0.00 -1.74 0.00 0.00 39.64 38.54 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 2.84 0.52 -0.87 7.28 2.35 -1.71 0.38 115.58 126.38 1du4 h ASN 101 Ca 0.06 0.16 0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1du4 h ASN 101 Cb 1.07 0.09 -0.10 0.00 0.05 0.00 0.00 38.32 39.43 1du4 h ASN 101 CO 0.64 0.01 -0.51 -0.90 -1.65 0.00 0.00 177.43 175.01 1du4 n ASP 102 N -4.98 -0.92 0.14 5.81 5.75 -1.26 -2.49 116.55 118.59 1du4 n ASP 102 Ca 0.27 1.66 -0.14 0.00 -0.01 0.00 0.00 54.79 56.57 1du4 n ASP 102 Cb 0.78 -0.26 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 1du4 n ASP 102 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1du4 h ILE 103 N 0.00 0.82 -3.21 2.12 2.04 -1.33 -3.47 117.51 114.49 1du4 h ILE 103 Ca 0.14 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1du4 h ILE 103 Cb 0.36 1.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.38 1du4 h ILE 103 CO -0.82 0.08 0.09 0.00 0.00 0.00 0.00 178.15 177.50 1du4 s SER 105 N -2.86 7.15 0.00 0.00 0.15 -1.26 -3.08 113.70 113.80 1du4 s SER 105 Ca 0.08 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1du4 s SER 105 Cb -0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1du4 s SER 105 CO -0.03 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1du4 n GLY 106 N 3.22 0.79 3.78 9.45 0.00 -1.26 -4.97 105.19 116.20 1du4 n GLY 106 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.98 1.29 0.10 0.00 0.52 -1.26 -1.23 118.95 117.39 1du4 s ARG 108 Ca 0.34 -0.67 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 1du4 s ARG 108 Cb -0.21 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.94 1du4 s ARG 108 CO 0.23 0.34 -0.18 0.20 0.02 0.00 0.00 175.30 175.92 1du4 s GLY 109 N -0.63 1.13 0.17 -3.53 0.00 -0.38 -2.20 107.32 101.87 1du4 s GLY 109 Ca 0.06 -1.21 -0.33 0.00 0.00 0.00 0.00 44.72 43.24 1du4 s GLY 109 CO 0.00 -1.23 1.39 1.57 0.00 0.00 0.00 173.10 174.83 1du4 n HIS 110 N 0.99 1.86 0.07 1.90 -0.00 -0.75 -0.86 115.22 118.42 1du4 n HIS 110 Ca -0.19 0.49 -0.14 0.00 0.46 0.00 0.00 57.72 58.34 1du4 n HIS 110 Cb 0.54 -2.42 -0.07 0.00 -0.12 0.00 0.00 29.99 27.93 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 4.57 -1.32 -0.19 0.26 1.82 0.91 -2.57 116.42 119.89 1du4 h ASP 111 Ca -0.45 0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1du4 h ASP 111 Cb 1.30 0.51 -0.01 0.00 0.68 0.00 0.00 39.33 41.81 1du4 h ASP 111 CO 0.78 -0.48 0.12 1.23 -1.61 0.00 0.00 179.24 179.29 1du4 h GLY 112 N -0.61 0.28 0.98 -0.78 0.00 -1.90 -0.93 103.07 100.11 1du4 h GLY 112 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1du4 h GLY 112 CO -0.31 0.11 0.19 0.74 0.00 0.00 0.00 176.54 177.28 1du4 h PHE 113 N 0.23 0.43 -0.61 5.60 0.04 -1.94 0.90 116.94 121.59 1du4 h PHE 113 Ca 0.07 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1du4 h PHE 113 Cb 0.02 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 1du4 h PHE 113 CO -0.05 0.31 0.13 1.15 -0.60 0.00 0.00 178.31 179.25 1du4 h THR 114 N 0.42 1.26 -0.07 -1.55 2.02 -1.46 -2.10 112.91 111.42 1du4 h THR 114 Ca 0.12 -0.96 -0.19 0.00 0.77 0.00 0.00 66.41 66.15 1du4 h THR 114 Cb 0.01 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1du4 h THR 114 CO -0.02 0.36 -0.76 0.28 0.37 0.00 0.00 175.52 175.74 1du4 h SER 115 N 0.91 0.49 -0.41 4.18 0.02 -0.84 -2.39 113.55 115.52 1du4 h SER 115 Ca 0.19 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1du4 h SER 115 Cb 0.39 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1du4 h SER 115 CO 0.01 1.08 0.24 -1.28 -1.14 0.00 0.00 176.83 175.74 1du4 h SER 116 N 0.27 0.49 -0.35 3.07 0.87 -0.72 -2.16 113.55 115.03 1du4 h SER 116 Ca -0.04 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1du4 h SER 116 Cb 1.35 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1du4 h SER 116 CO 0.13 0.41 0.19 -0.25 -0.53 0.00 0.00 176.83 176.79 1du4 h TRP 117 N 0.53 0.48 -0.78 2.24 -0.00 -1.22 -2.21 115.95 114.98 1du4 h TRP 117 Ca 0.15 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.08 1du4 h TRP 117 Cb 0.01 -0.15 -0.05 0.00 -0.00 0.00 0.00 29.16 28.97 1du4 h TRP 117 CO -0.03 0.37 0.51 -0.09 -0.00 0.00 0.00 178.44 179.21 1du4 h ARG 118 N 0.44 0.86 -0.85 2.65 9.65 -1.37 0.15 114.38 125.91 1du4 h ARG 118 Ca 0.12 -0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.06 1du4 h ARG 118 Cb 0.05 -0.19 -0.08 0.00 -1.39 0.00 0.00 29.97 28.36 1du4 h ARG 118 CO -0.02 0.57 0.48 0.77 2.80 0.00 0.00 179.97 184.57 1du4 h SER 119 N 0.89 0.66 -0.01 -3.80 0.02 -0.73 -3.13 113.55 107.45 1du4 h SER 119 Ca 0.33 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1du4 h SER 119 Cb 0.17 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1du4 h SER 119 CO -0.11 0.35 -0.14 1.33 -1.14 0.00 0.00 176.83 177.12 1du4 n VAL 120 N -4.76 0.00 0.03 2.27 0.24 -1.04 -4.73 118.33 110.34 1du4 n VAL 120 Ca 0.15 -0.43 -0.15 0.00 -2.04 0.00 0.00 64.34 61.88 1du4 n VAL 120 Cb 0.33 1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 33.79 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 2.11 -0.91 -0.33 2.33 0.00 -0.65 -0.38 119.26 121.43 1du4 h ALA 121 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1du4 h ALA 121 Cb 0.43 0.95 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1du4 h ALA 121 CO 0.00 -1.07 0.04 -0.44 0.00 0.00 0.00 179.25 177.78 1du4 h ASP 122 N -0.61 -0.03 0.12 0.00 3.32 -1.87 0.35 116.42 117.71 1du4 h ASP 122 Ca 0.02 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1du4 h ASP 122 Cb 0.67 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1du4 h ASP 122 CO -0.36 0.02 -0.24 0.74 -1.72 0.00 0.00 179.24 177.68 1du4 h THR 123 N 0.15 0.48 -0.07 0.35 2.02 -1.84 -2.53 112.91 111.48 1du4 h THR 123 Ca 0.15 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 1du4 h THR 123 Cb 0.18 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1du4 h THR 123 CO -0.22 0.00 -0.47 -0.07 0.37 0.00 0.00 175.52 175.13 1du4 h LEU 124 N -0.44 0.17 -0.49 2.58 3.38 -0.57 -2.92 115.31 117.02 1du4 h LEU 124 Ca 0.03 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1du4 h LEU 124 Cb 0.46 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1du4 h LEU 124 CO -0.13 0.61 -0.21 -0.09 0.09 0.00 0.00 178.44 178.71 1du4 h ARG 125 N 0.13 1.01 -0.64 1.13 2.43 -0.23 -2.32 114.38 115.89 1du4 h ARG 125 Ca 0.01 -0.43 -0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1du4 h ARG 125 Cb 0.88 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1du4 h ARG 125 CO 0.07 1.11 0.24 0.37 -1.51 0.00 0.00 179.97 180.26 1du4 h GLN 126 N 0.87 0.96 -0.52 0.20 -0.00 -1.38 0.11 115.11 115.35 1du4 h GLN 126 Ca 0.11 -0.18 -0.08 0.00 -0.00 0.00 0.00 58.65 58.50 1du4 h GLN 126 Cb 0.79 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.10 1du4 h GLN 126 CO 0.07 0.82 -0.01 0.87 0.00 0.00 0.00 178.83 180.57 1du4 h LYS 127 N 0.90 0.89 -0.41 1.69 1.57 -1.46 0.73 116.57 120.48 1du4 h LYS 127 Ca 0.21 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1du4 h LYS 127 Cb 0.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1du4 h LYS 127 CO -0.02 0.89 0.04 0.28 -0.57 0.00 0.00 179.45 180.07 1du4 h VAL 128 N 0.82 1.25 0.00 0.50 2.07 -1.16 -2.56 116.25 117.17 1du4 h VAL 128 Ca 0.15 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1du4 h VAL 128 Cb 0.50 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1du4 h VAL 128 CO 0.02 0.32 -0.30 -0.33 0.02 0.00 0.00 177.57 177.31 1du4 h GLU 129 N 0.55 0.00 -0.17 1.57 5.08 -0.50 -0.73 114.58 120.38 1du4 h GLU 129 Ca 0.12 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.29 1du4 h GLU 129 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1du4 h GLU 129 CO 0.01 0.30 -0.65 -0.44 -1.00 0.00 0.00 179.01 177.23 1du4 h ASP 130 N 0.00 0.75 0.23 1.42 3.32 -0.63 -2.47 116.42 119.04 1du4 h ASP 130 Ca -0.00 -0.44 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 1du4 h ASP 130 Cb 0.64 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1du4 h ASP 130 CO 0.04 1.20 -0.55 0.00 -1.72 0.00 0.00 179.24 178.21 1du4 h ALA 131 N 0.80 0.84 -0.55 3.45 0.00 -0.97 -0.40 119.26 122.42 1du4 h ALA 131 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 1du4 h ALA 131 Cb 1.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1du4 h ALA 131 CO 0.13 0.69 -0.02 0.28 0.00 0.00 0.00 179.25 180.34 1du4 h VAL 132 N 0.26 1.26 -0.01 0.00 2.07 -1.05 0.20 116.25 118.98 1du4 h VAL 132 Ca 0.00 -1.12 -0.16 0.00 0.82 0.00 0.00 66.70 66.25 1du4 h VAL 132 Cb 1.06 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1du4 h VAL 132 CO 0.09 0.40 -0.72 0.08 0.02 0.00 0.00 177.57 177.45 1du4 h ARG 133 N 0.88 0.06 0.01 1.57 0.11 -1.12 -2.37 114.38 113.52 1du4 h ARG 133 Ca 0.16 -0.05 -0.19 0.00 0.10 0.00 0.00 59.98 59.99 1du4 h ARG 133 Cb 0.54 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1du4 h ARG 133 CO 0.03 0.75 -0.89 1.49 0.10 0.00 0.00 179.97 181.45 1du4 h GLU 134 N 0.04 0.11 -2.26 0.08 4.57 -0.55 -3.37 114.58 113.20 1du4 h GLU 134 Ca -0.01 -0.13 -0.58 0.00 -1.18 0.00 0.00 59.36 57.46 1du4 h GLU 134 Cb 1.27 0.04 -0.39 0.00 -0.16 0.00 0.00 28.75 29.50 1du4 h GLU 134 CO 0.10 0.93 -0.95 0.72 -1.18 0.00 0.00 179.01 178.63 1du4 n HIS 135 N -3.58 0.30 0.29 0.92 8.25 0.64 -5.02 115.22 117.02 1du4 n HIS 135 Ca -0.02 -3.62 0.17 0.00 -0.26 0.00 0.00 57.72 53.98 1du4 n HIS 135 Cb 0.83 -0.19 0.82 0.00 1.12 0.00 0.00 29.99 32.57 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 4.72 0.00 -0.01 -0.41 0.13 -1.60 -1.69 132.00 133.14 1du4 h PRO 136 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1du4 h PRO 136 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1du4 h PRO 136 CO 0.50 0.00 -0.49 -0.40 -0.23 0.00 0.00 178.00 177.38 1du4 n ASP 137 N -2.74 1.95 -4.80 1.44 5.75 -1.26 -4.96 116.55 111.93 1du4 n ASP 137 Ca -0.01 -1.47 -0.35 0.00 -0.01 0.00 0.00 54.79 52.95 1du4 n ASP 137 Cb 0.14 0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 40.67 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 -2.45 3.49 -0.03 2.11 1.51 -0.64 -5.01 117.35 116.34 1du4 s TYR 138 Ca 0.17 1.67 -0.13 0.00 -1.01 0.00 0.00 57.07 57.77 1du4 s TYR 138 Cb 0.17 -2.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.11 1du4 s TYR 138 CO 0.57 0.05 0.34 -0.98 -1.11 0.00 0.00 175.55 174.42 1du4 s ARG 139 N -2.64 3.81 -0.12 -0.62 1.70 -0.67 -4.85 118.95 115.57 1du4 s ARG 139 Ca 0.56 0.27 -0.25 0.00 -0.47 0.00 0.00 55.73 55.84 1du4 s ARG 139 Cb -0.14 -3.22 -0.02 0.00 -0.57 0.00 0.00 34.95 31.00 1du4 s ARG 139 CO 0.18 0.69 0.81 0.08 -1.08 0.00 0.00 175.30 175.99 1du4 s VAL 140 N -1.00 4.93 -0.10 4.99 1.01 -1.25 -0.53 120.40 128.45 1du4 s VAL 140 Ca 0.21 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.83 1du4 s VAL 140 Cb -0.15 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1du4 s VAL 140 CO 0.11 0.11 -0.11 -0.69 0.00 0.00 0.00 175.10 174.52 1du4 s VAL 141 N 1.62 1.21 -0.15 2.92 1.01 -0.20 -1.76 120.40 125.04 1du4 s VAL 141 Ca 0.40 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1du4 s VAL 141 Cb -0.17 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1du4 s VAL 141 CO 0.16 0.39 -0.02 -0.36 0.00 0.00 0.00 175.10 175.27 1du4 s PHE 142 N 1.28 3.06 0.08 5.22 0.08 0.17 -1.17 117.98 126.70 1du4 s PHE 142 Ca -0.02 -0.18 -0.04 0.00 0.12 0.00 0.00 56.93 56.81 1du4 s PHE 142 Cb -0.14 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1du4 s PHE 142 CO -0.04 0.06 0.07 -0.08 -0.10 0.00 0.00 175.22 175.12 1du4 s THR 143 N 0.18 0.18 0.00 0.64 -1.32 -0.14 -0.71 115.64 114.47 1du4 s THR 143 Ca -0.01 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 1du4 s THR 143 Cb -0.13 -1.52 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 1du4 s THR 143 CO 0.02 -0.80 0.00 0.61 -2.21 0.00 0.00 174.62 172.25 1du4 n GLY 144 N 0.02 0.88 3.84 6.08 0.00 -0.90 -0.39 105.19 114.72 1du4 n GLY 144 Ca -0.13 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 3.46 0.00 1.61 2.46 -1.25 -1.88 115.29 117.69 1du4 s HIS 145 Ca 0.00 0.37 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1du4 s HIS 145 Cb 0.00 -1.84 0.00 0.00 -0.13 0.00 0.00 32.58 30.61 1du4 s HIS 145 CO 0.00 0.64 0.00 0.45 -2.47 0.00 0.00 174.74 173.36 1du4 n SER 146 N 1.53 0.00 0.25 9.88 2.88 0.20 0.62 113.62 128.98 1du4 n SER 146 Ca -0.16 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1du4 n SER 146 Cb 0.54 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.61 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 -0.94 2.46 5.85 -1.86 -0.51 115.31 120.31 1du4 h LEU 147 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 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 0.12 -0.51 1.23 -0.34 0.00 0.00 178.44 178.93 1du4 h GLY 148 N 0.43 0.05 0.90 3.75 0.00 0.24 -1.20 103.07 107.24 1du4 h GLY 148 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1du4 h GLY 148 CO 0.02 0.05 0.08 -1.33 0.00 0.00 0.00 176.54 175.35 1du4 h GLY 149 N 1.51 0.29 0.83 4.60 0.00 -0.82 0.00 103.07 109.48 1du4 h GLY 149 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1du4 h GLY 149 CO 0.07 0.14 0.03 0.00 0.00 0.00 0.00 176.54 176.78 1du4 h ALA 150 N 0.94 0.11 -0.52 3.60 0.00 -1.22 0.38 119.26 122.55 1du4 h ALA 150 Ca 0.06 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1du4 h ALA 150 Cb 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1du4 h ALA 150 CO -0.01 -0.28 0.18 -0.07 0.00 0.00 0.00 179.25 179.07 1du4 h LEU 151 N -0.06 0.17 -0.68 0.00 3.38 -1.25 0.62 115.31 117.49 1du4 h LEU 151 Ca 0.03 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1du4 h LEU 151 Cb 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1du4 h LEU 151 CO -0.00 0.12 -0.30 0.00 0.09 0.00 0.00 178.44 178.35 1du4 h ALA 152 N 1.35 0.86 -0.41 1.53 0.00 -0.81 -0.73 119.26 121.05 1du4 h ALA 152 Ca 0.25 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1du4 h ALA 152 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1du4 h ALA 152 CO -0.26 0.63 0.18 1.15 0.00 0.00 0.00 179.25 180.95 1du4 h THR 153 N 0.58 1.19 -0.22 0.00 2.02 0.21 -2.26 112.91 114.43 1du4 h THR 153 Ca 0.07 -0.57 -0.17 0.00 0.77 0.00 0.00 66.41 66.52 1du4 h THR 153 Cb 0.81 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1du4 h THR 153 CO 0.07 0.21 -0.54 0.58 0.37 0.00 0.00 175.52 176.21 1du4 h VAL 154 N 0.52 1.31 -0.32 3.16 2.07 -0.75 -2.21 116.25 120.03 1du4 h VAL 154 Ca 0.14 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.81 1du4 h VAL 154 Cb 0.16 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1du4 h VAL 154 CO -0.01 0.56 -0.18 0.00 0.02 0.00 0.00 177.57 177.96 1du4 h ALA 155 N 0.90 1.10 -0.15 1.67 0.00 -0.95 -2.60 119.26 119.24 1du4 h ALA 155 Ca 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1du4 h ALA 155 Cb 1.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1du4 h ALA 155 CO 0.11 0.55 -0.16 0.78 0.00 0.00 0.00 179.25 180.53 1du4 h GLY 156 N 0.98 0.40 -0.00 0.00 0.00 -1.20 -0.31 103.07 102.93 1du4 h GLY 156 Ca 0.09 -0.42 0.14 0.00 0.00 0.00 0.00 47.33 47.13 1du4 h GLY 156 CO 0.04 0.38 0.10 0.00 0.00 0.00 0.00 176.54 177.06 1du4 h ALA 157 N 0.60 0.76 -0.17 3.60 0.00 -1.39 -1.47 119.26 121.19 1du4 h ALA 157 Ca 0.02 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1du4 h ALA 157 Cb 0.70 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1du4 h ALA 157 CO 0.04 -0.35 -0.33 0.22 0.00 0.00 0.00 179.25 178.83 1du4 h ASP 158 N 0.21 0.59 0.84 0.00 3.58 -1.19 -3.36 116.42 117.09 1du4 h ASP 158 Ca 0.36 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1du4 h ASP 158 Cb 0.58 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1du4 h ASP 158 CO -0.49 1.03 -0.34 0.18 -2.88 0.00 0.00 179.24 176.74 1du4 n LEU 159 N -4.33 0.45 -4.54 2.28 4.77 -0.15 -4.91 117.00 110.56 1du4 n LEU 159 Ca -0.06 0.26 -0.29 0.00 -0.03 0.00 0.00 56.01 55.89 1du4 n LEU 159 Cb 0.49 -0.31 0.23 0.00 -2.33 0.00 0.00 43.42 41.50 1du4 n LEU 159 CO 0.44 0.01 0.56 -0.13 -1.33 0.00 0.00 177.39 176.93 1du4 s ARG 160 N -3.05 -0.45 -0.68 3.23 0.52 -0.58 -3.93 118.95 114.02 1du4 s ARG 160 Ca 0.11 0.92 0.00 0.00 -0.52 0.00 0.00 55.73 56.23 1du4 s ARG 160 Cb 0.16 -1.60 0.00 0.00 0.52 0.00 0.00 34.95 34.03 1du4 s ARG 160 CO 0.65 -3.43 0.00 0.41 0.02 0.00 0.00 175.30 172.95 1du4 n GLY 161 N 0.46 0.87 1.01 -3.53 0.00 -1.26 -4.92 105.19 97.82 1du4 n GLY 161 Ca 0.05 -0.64 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 0.70 2.27 0.00 1.61 5.03 -1.25 -4.97 115.26 118.65 1du4 n ASN 162 Ca -0.06 -3.81 0.00 0.00 0.87 0.00 0.00 54.58 51.58 1du4 n ASN 162 Cb 0.23 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 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 -1.12 3.31 3.24 7.41 0.00 -1.26 -5.04 105.19 111.74 1du4 n GLY 163 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.96 1.97 0.35 1.61 1.13 -1.26 -5.13 117.35 113.06 1du4 s TYR 164 Ca 0.00 -0.38 -0.26 0.00 -1.41 0.00 0.00 57.07 55.02 1du4 s TYR 164 Cb 0.00 -1.27 -0.09 0.00 -1.10 0.00 0.00 41.96 39.50 1du4 s TYR 164 CO 0.00 -0.04 1.05 -0.51 -2.51 0.00 0.00 175.55 173.54 1du4 s ASP 165 N -0.51 7.01 -0.18 -0.18 1.01 -1.26 -4.59 116.67 117.97 1du4 s ASP 165 Ca 0.08 2.08 -0.00 0.00 0.71 0.00 0.00 52.55 55.42 1du4 s ASP 165 Cb -0.09 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.29 1du4 s ASP 165 CO -0.01 -0.31 -0.06 -0.63 0.21 0.00 0.00 175.17 174.37 1du4 s ILE 166 N -1.48 1.24 0.15 0.77 1.01 -0.73 -3.76 121.20 118.40 1du4 s ILE 166 Ca 0.52 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1du4 s ILE 166 Cb -0.25 -1.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.74 1du4 s ILE 166 CO 0.31 0.10 0.47 -1.81 0.00 0.00 0.00 174.94 174.02 1du4 s ASP 167 N 1.57 6.65 -0.04 3.58 1.01 -0.72 -3.85 116.67 124.86 1du4 s ASP 167 Ca -0.00 0.86 0.05 0.00 0.71 0.00 0.00 52.55 54.16 1du4 s ASP 167 Cb -0.16 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.56 1du4 s ASP 167 CO -0.08 0.07 -0.19 -0.69 0.21 0.00 0.00 175.17 174.49 1du4 s VAL 168 N -1.58 1.57 -0.14 -1.27 1.01 -0.18 0.42 120.40 120.23 1du4 s VAL 168 Ca 0.39 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 1du4 s VAL 168 Cb -0.13 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1du4 s VAL 168 CO 0.20 0.45 -0.08 -0.36 0.00 0.00 0.00 175.10 175.31 1du4 s PHE 169 N -0.06 1.74 -0.06 5.22 0.40 0.12 -0.05 117.98 125.29 1du4 s PHE 169 Ca -0.02 -1.00 0.05 0.00 -0.60 0.00 0.00 56.93 55.35 1du4 s PHE 169 Cb -0.11 -1.35 -0.00 0.00 0.51 0.00 0.00 43.02 42.06 1du4 s PHE 169 CO 0.02 -0.59 -0.20 -1.54 0.70 0.00 0.00 175.22 173.61 1du4 s SER 170 N 1.62 2.49 -0.26 1.36 1.04 -0.61 -2.13 113.70 117.21 1du4 s SER 170 Ca 0.03 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1du4 s SER 170 Cb -0.14 -0.79 0.05 0.00 0.10 0.00 0.00 66.02 65.24 1du4 s SER 170 CO -0.08 0.17 -0.07 -0.31 0.98 0.00 0.00 173.24 173.92 1du4 s TYR 171 N 0.08 3.19 -0.99 5.02 1.51 -0.79 -1.22 117.35 124.16 1du4 s TYR 171 Ca -0.07 -1.99 -0.04 0.00 -1.01 0.00 0.00 57.07 53.96 1du4 s TYR 171 Cb -0.13 -2.01 0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1du4 s TYR 171 CO 0.04 -0.82 0.58 0.41 -1.11 0.00 0.00 175.55 174.64 1du4 n GLY 172 N 4.55 -0.09 3.81 0.71 0.00 -0.85 0.62 105.19 113.94 1du4 n GLY 172 Ca -0.15 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.07 3.46 0.70 4.61 0.00 -1.26 -3.39 121.76 122.81 1du4 s ALA 173 Ca 0.29 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 1du4 s ALA 173 Cb -0.13 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1du4 s ALA 173 CO 0.35 0.34 1.07 -1.25 0.00 0.00 0.00 175.76 176.27 1du4 s PRO 174 N -1.69 2.77 0.49 0.00 0.04 -1.25 -3.69 135.00 131.66 1du4 s PRO 174 Ca 0.39 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 1du4 s PRO 174 Cb -0.18 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1du4 s PRO 174 CO 0.22 -1.24 0.98 0.54 0.04 0.00 0.00 177.00 177.54 1du4 n ARG 175 N -3.06 1.20 0.00 4.56 1.74 0.19 -4.80 116.66 116.48 1du4 n ARG 175 Ca 0.08 0.44 0.01 0.00 -0.77 0.00 0.00 57.85 57.61 1du4 n ARG 175 Cb 0.53 -2.09 0.01 0.00 -1.02 0.00 0.00 32.46 29.89 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 -0.96 0.00 -2.38 1.55 3.14 -1.26 -4.49 118.33 113.93 1du4 n VAL 176 Ca 0.11 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1du4 n VAL 176 Cb 0.42 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 34.25 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 0.25 1.07 3.16 7.55 0.00 -1.26 -1.82 105.19 114.15 1du4 n GLY 177 Ca 0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 0.75 -0.17 1.61 6.94 -0.94 -1.83 115.26 121.63 1du4 n ASN 178 Ca 0.00 -1.74 -0.08 0.00 -0.02 0.00 0.00 54.58 52.73 1du4 n ASN 178 Cb 0.00 -0.63 0.01 0.00 -2.36 0.00 0.00 39.78 36.80 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 0.70 -0.93 -3.83 9.65 -1.89 -0.79 114.38 117.28 1du4 h ARG 179 Ca -0.30 -0.11 0.07 0.00 -1.10 0.00 0.00 59.98 58.54 1du4 h ARG 179 Cb 0.99 -0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 29.38 1du4 h ARG 179 CO 0.28 0.60 0.58 0.00 2.80 0.00 0.00 179.97 184.23 1du4 h ALA 180 N 1.06 1.30 -0.35 2.80 0.00 -1.95 -1.10 119.26 121.02 1du4 h ALA 180 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1du4 h ALA 180 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1du4 h ALA 180 CO -0.02 0.32 -0.27 0.35 0.00 0.00 0.00 179.25 179.64 1du4 h PHE 181 N 1.04 0.81 -0.49 0.00 3.57 -1.65 -2.29 116.94 117.94 1du4 h PHE 181 Ca 0.41 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1du4 h PHE 181 Cb 0.21 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1du4 h PHE 181 CO -0.02 0.90 0.31 0.00 -2.23 0.00 0.00 178.31 177.28 1du4 h ALA 182 N 1.09 0.62 -0.48 2.41 0.00 -0.75 -1.13 119.26 121.01 1du4 h ALA 182 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1du4 h ALA 182 Cb 0.77 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1du4 h ALA 182 CO 0.06 0.04 0.13 0.93 0.00 0.00 0.00 179.25 180.41 1du4 h GLU 183 N 0.64 0.76 -0.89 0.00 5.08 -1.00 -2.56 114.58 116.61 1du4 h GLU 183 Ca 0.18 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1du4 h GLU 183 Cb -0.05 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1du4 h GLU 183 CO -0.05 0.74 0.56 0.35 -1.00 0.00 0.00 179.01 179.61 1du4 h PHE 184 N 0.65 1.15 0.00 4.33 3.57 -1.24 -2.04 116.94 123.35 1du4 h PHE 184 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1du4 h PHE 184 Cb 0.31 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1du4 h PHE 184 CO 0.02 0.74 0.00 -0.07 -2.23 0.00 0.00 178.31 176.77 1du4 h LEU 185 N 1.22 0.00 0.00 0.59 3.38 -0.93 -2.70 115.31 116.87 1du4 h LEU 185 Ca 0.32 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.08 1du4 h LEU 185 Cb -0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1du4 h LEU 185 CO -0.07 0.00 -1.34 0.74 0.09 0.00 0.00 178.44 177.87 1du4 h THR 186 N 0.00 0.87 0.00 0.22 2.02 -0.97 -3.40 112.91 111.64 1du4 h THR 186 Ca 0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1du4 h THR 186 Cb 0.40 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1du4 h THR 186 CO 0.00 0.50 -0.25 0.55 0.37 0.00 0.00 175.52 176.69 1du4 n VAL 187 N -3.06 0.91 -2.81 3.16 3.14 -1.10 -4.93 118.33 113.64 1du4 n VAL 187 Ca -0.09 -1.09 -0.41 0.00 -2.96 0.00 0.00 64.34 59.79 1du4 n VAL 187 Cb 0.92 0.16 -0.05 0.00 -1.06 0.00 0.00 33.84 33.81 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 -1.38 4.65 0.60 1.45 0.74 -1.02 -5.05 119.66 119.65 1du4 s GLN 188 Ca 0.15 1.34 0.08 0.00 0.05 0.00 0.00 55.36 56.97 1du4 s GLN 188 Cb 0.13 -3.36 0.09 0.00 1.10 0.00 0.00 33.01 30.97 1du4 s GLN 188 CO 0.01 0.26 0.83 0.95 -0.55 0.00 0.00 175.29 176.79 1du4 s THR 189 N -0.11 2.16 0.00 -0.34 -4.23 -1.26 -4.65 115.64 107.21 1du4 s THR 189 Ca 0.44 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1du4 s THR 189 Cb -0.23 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1du4 s THR 189 CO 0.28 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 1du4 n GLY 190 N -2.36 0.94 0.00 3.99 0.00 -1.26 -4.72 105.19 101.79 1du4 n GLY 190 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.68 3.91 3.48 -0.02 0.00 -1.26 -1.77 105.19 108.85 1du4 n GLY 191 Ca 0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.37 2.99 -0.24 2.61 2.01 -1.25 -4.90 115.64 114.49 1du4 s THR 192 Ca 0.00 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 60.89 1du4 s THR 192 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1du4 s THR 192 CO 0.00 0.40 0.12 -0.22 -0.69 0.00 0.00 174.62 174.23 1du4 s LEU 193 N -1.29 3.85 -0.43 4.42 2.96 -1.26 -1.01 118.68 125.92 1du4 s LEU 193 Ca 0.14 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1du4 s LEU 193 Cb -0.11 -2.03 0.12 0.00 0.50 0.00 0.00 46.19 44.67 1du4 s LEU 193 CO 0.05 0.03 0.19 -0.31 -1.32 0.00 0.00 176.35 174.98 1du4 s TYR 194 N 1.26 3.55 -0.68 5.38 2.02 0.93 -4.83 117.35 124.99 1du4 s TYR 194 Ca 0.06 -2.85 -0.20 0.00 -0.37 0.00 0.00 57.07 53.71 1du4 s TYR 194 Cb -0.14 -3.02 0.10 0.00 -0.40 0.00 0.00 41.96 38.49 1du4 s TYR 194 CO 0.05 -0.90 0.87 0.50 -1.57 0.00 0.00 175.55 174.51 1du4 s ARG 195 N 0.58 3.18 -0.14 -0.62 3.52 -1.26 -1.57 118.95 122.64 1du4 s ARG 195 Ca 0.12 -1.25 -0.16 0.00 -0.13 0.00 0.00 55.73 54.31 1du4 s ARG 195 Cb -0.22 -4.36 -0.04 0.00 -1.56 0.00 0.00 34.95 28.77 1du4 s ARG 195 CO -0.05 -1.67 0.37 0.42 -0.81 0.00 0.00 175.30 173.56 1du4 s ILE 196 N 3.11 5.26 0.17 4.11 1.01 -0.36 -1.34 121.20 133.15 1du4 s ILE 196 Ca 0.19 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.61 1du4 s ILE 196 Cb -0.18 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1du4 s ILE 196 CO 0.05 0.36 -0.12 0.42 0.00 0.00 0.00 174.94 175.65 1du4 s THR 197 N 0.54 1.38 -0.08 2.92 -4.23 -0.48 -2.00 115.64 113.68 1du4 s THR 197 Ca 0.20 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1du4 s THR 197 Cb -0.14 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.81 1du4 s THR 197 CO 0.06 -0.68 -0.12 -2.28 -0.54 0.00 0.00 174.62 171.06 1du4 s HIS 198 N -3.16 1.56 0.00 3.99 2.46 -1.26 -1.61 115.29 117.27 1du4 s HIS 198 Ca 0.18 -0.66 0.00 0.00 0.47 0.00 0.00 55.06 55.06 1du4 s HIS 198 Cb 0.01 -1.17 0.00 0.00 -0.13 0.00 0.00 32.58 31.29 1du4 s HIS 198 CO 0.03 -0.37 0.00 0.25 -2.47 0.00 0.00 174.74 172.18 1du4 n THR 199 N 4.14 0.00 -1.24 0.89 -2.24 -0.63 -0.38 114.28 114.82 1du4 n THR 199 Ca -0.20 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1du4 n THR 199 Cb 0.51 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.97 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 0.64 3.28 -4.52 3.42 6.94 -1.26 -4.37 115.26 119.38 1du4 n ASN 200 Ca 0.00 -3.46 -0.57 0.00 -0.02 0.00 0.00 54.58 50.54 1du4 n ASN 200 Cb 0.00 -0.63 -0.07 0.00 -2.36 0.00 0.00 39.78 36.71 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 -0.84 0.45 0.09 0.53 2.03 0.48 -2.30 116.55 117.00 1du4 n ASP 201 Ca 0.32 1.15 -0.04 0.00 0.52 0.00 0.00 54.79 56.74 1du4 n ASP 201 Cb 1.08 -1.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.63 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 3.08 1.38 -0.52 5.18 2.10 -1.84 -3.37 117.51 123.51 1du4 h ILE 202 Ca -0.50 -1.89 0.04 0.00 1.08 0.00 0.00 64.86 63.59 1du4 h ILE 202 Cb 1.40 1.95 -0.04 0.00 -1.09 0.00 0.00 36.82 39.04 1du4 h ILE 202 CO 0.68 0.56 0.27 0.58 -1.08 0.00 0.00 178.15 179.16 1du4 h VAL 203 N 0.16 0.97 0.00 2.19 2.07 -1.87 -1.27 116.25 118.50 1du4 h VAL 203 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1du4 h VAL 203 Cb 1.04 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1du4 h VAL 203 CO 0.09 0.10 0.00 -2.65 0.02 0.00 0.00 177.57 175.12 1du4 n PRO 204 N -4.87 0.21 0.00 1.57 -0.02 -1.24 -1.23 135.00 129.42 1du4 n PRO 204 Ca 0.05 0.11 0.13 0.00 -2.02 0.00 0.00 63.50 61.76 1du4 n PRO 204 Cb 0.13 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.16 1.68 -4.35 -0.52 3.00 -0.48 -4.48 116.66 110.36 1du4 n ARG 205 Ca 0.06 -1.20 -0.26 0.00 -0.01 0.00 0.00 57.85 56.43 1du4 n ARG 205 Cb 0.06 -1.48 -0.13 0.00 0.00 0.00 0.00 32.46 30.91 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 -2.15 2.31 0.85 0.55 1.43 -0.37 -3.31 118.68 117.99 1du4 s LEU 206 Ca 0.30 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1du4 s LEU 206 Cb 0.20 -1.05 0.10 0.00 0.03 0.00 0.00 46.19 45.47 1du4 s LEU 206 CO 0.39 0.12 1.09 -2.84 0.23 0.00 0.00 176.35 175.34 1du4 s PRO 207 N -1.97 1.64 0.91 1.29 0.02 -1.26 -0.64 135.00 134.99 1du4 s PRO 207 Ca 0.10 0.78 -0.12 0.00 0.02 0.00 0.00 61.00 61.78 1du4 s PRO 207 Cb -0.10 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.65 1du4 s PRO 207 CO 0.05 -1.97 0.78 -2.30 -0.33 0.00 0.00 177.00 173.23 1du4 n PRO 208 N -3.69 -0.28 0.26 5.54 -0.02 -1.21 -4.77 135.00 130.83 1du4 n PRO 208 Ca 0.07 -0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1du4 n PRO 208 Cb 0.55 -2.12 0.69 0.00 -0.02 0.00 0.00 33.50 32.61 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 -1.57 0.00 0.00 -0.52 3.08 -1.84 -2.25 114.38 111.29 1du4 h ARG 209 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1du4 h ARG 209 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1du4 h ARG 209 CO 0.38 0.13 0.00 0.39 -1.07 0.00 0.00 179.97 179.80 1du4 n GLU 210 N -3.83 0.02 -0.48 0.04 4.71 -1.26 -1.36 120.64 118.48 1du4 n GLU 210 Ca -0.02 0.31 0.09 0.00 -0.01 0.00 0.00 57.16 57.53 1du4 n GLU 210 Cb 0.23 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 29.45 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 -1.47 1.16 -1.42 -0.32 3.01 -0.84 -4.94 117.46 112.63 1du4 n PHE 211 Ca 0.03 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.87 1du4 n PHE 211 Cb 0.11 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 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 0.78 0.89 3.83 1.37 0.00 -0.47 -4.91 105.19 106.69 1du4 n GLY 212 Ca 0.22 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.10 3.15 0.04 1.61 1.51 -1.13 -4.10 117.35 116.32 1du4 s TYR 213 Ca 0.00 -0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1du4 s TYR 213 Cb 0.00 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1du4 s TYR 213 CO 0.00 0.52 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.80 1du4 s SER 214 N -3.67 0.40 -0.10 2.29 0.01 -0.76 -4.33 113.70 107.54 1du4 s SER 214 Ca 0.33 -0.77 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1du4 s SER 214 Cb -0.08 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 1du4 s SER 214 CO 0.25 -0.46 0.02 -1.00 0.41 0.00 0.00 173.24 172.47 1du4 s HIS 215 N -2.77 3.22 1.01 2.43 3.76 -1.26 -4.44 115.29 117.24 1du4 s HIS 215 Ca -0.04 0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 54.97 1du4 s HIS 215 Cb -0.00 -1.83 0.20 0.00 1.11 0.00 0.00 32.58 32.05 1du4 s HIS 215 CO -0.06 0.47 1.08 -1.54 -0.85 0.00 0.00 174.74 173.84 1du4 s SER 216 N -0.78 2.37 0.13 1.40 1.04 -1.26 -3.02 113.70 113.57 1du4 s SER 216 Ca 0.12 1.57 0.09 0.00 0.48 0.00 0.00 55.95 58.21 1du4 s SER 216 Cb -0.12 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.73 1du4 s SER 216 CO 0.02 -3.34 -0.21 -0.55 0.98 0.00 0.00 173.24 170.14 1du4 s SER 217 N -2.98 2.73 0.37 7.02 0.15 -1.26 -4.65 113.70 115.07 1du4 s SER 217 Ca 0.66 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1du4 s SER 217 Cb -0.21 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1du4 s SER 217 CO 0.60 0.05 0.00 -0.81 1.20 0.00 0.00 173.24 174.28 1du4 n PRO 218 N 0.79 0.78 -4.90 5.44 -0.04 -1.26 -4.47 135.00 131.33 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 0.55 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.88 1.76 -0.47 0.54 2.12 0.30 -4.46 118.70 116.61 1du4 s GLU 219 Ca 0.00 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.63 1du4 s GLU 219 Cb 0.00 -1.58 0.12 0.00 0.26 0.00 0.00 34.13 32.94 1du4 s GLU 219 CO 0.00 0.31 0.29 0.71 -0.54 0.00 0.00 175.26 176.03 1du4 s TYR 220 N -0.14 3.53 -0.25 5.30 2.02 -0.45 0.18 117.35 127.54 1du4 s TYR 220 Ca 0.00 -2.41 -0.10 0.00 -0.37 0.00 0.00 57.07 54.19 1du4 s TYR 220 Cb -0.10 -3.27 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 1du4 s TYR 220 CO 0.01 -0.95 0.16 -0.46 -1.57 0.00 0.00 175.55 172.75 1du4 s TRP 221 N 0.87 3.29 -0.49 2.71 -0.00 0.26 -1.38 118.94 124.21 1du4 s TRP 221 Ca 0.10 0.18 -0.23 0.00 -0.00 0.00 0.00 56.10 56.15 1du4 s TRP 221 Cb -0.23 -2.29 0.03 0.00 -0.00 0.00 0.00 33.47 30.99 1du4 s TRP 221 CO -0.04 0.01 0.84 0.42 -0.00 0.00 0.00 176.95 178.18 1du4 s ILE 222 N 1.20 4.57 0.12 5.86 1.01 -0.63 -0.41 121.20 132.91 1du4 s ILE 222 Ca 0.07 0.34 0.15 0.00 0.00 0.00 0.00 60.65 61.21 1du4 s ILE 222 Cb -0.14 -4.40 0.04 0.00 0.01 0.00 0.00 42.46 37.97 1du4 s ILE 222 CO 0.06 -0.86 1.59 0.11 0.00 0.00 0.00 174.94 175.83 1du4 h LYS 223 N 9.10 0.00 -7.01 2.79 1.57 -0.93 -1.66 116.57 120.43 1du4 h LYS 223 Ca -0.25 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.99 1du4 h LYS 223 Cb 1.08 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.50 1du4 h LYS 223 CO 1.01 0.54 0.60 -1.54 -0.57 0.00 0.00 179.45 179.49 1du4 s SER 224 N -6.56 5.76 1.01 0.86 1.04 -1.26 -4.87 113.70 109.68 1du4 s SER 224 Ca 0.01 2.69 -0.13 0.00 0.48 0.00 0.00 55.95 58.99 1du4 s SER 224 Cb 0.10 -2.63 0.19 0.00 0.10 0.00 0.00 66.02 63.78 1du4 s SER 224 CO 0.73 -1.23 1.11 -0.83 0.98 0.00 0.00 173.24 174.00 1du4 s GLY 225 N -0.90 1.57 0.34 7.32 0.00 -1.26 -4.67 107.32 109.71 1du4 s GLY 225 Ca 0.65 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.61 1du4 s GLY 225 CO 0.47 0.16 1.54 -1.59 0.00 0.00 0.00 173.10 173.68 1du4 s THR 226 N -3.04 2.06 -0.17 0.90 2.01 -1.26 -1.56 115.64 114.57 1du4 s THR 226 Ca 0.66 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1du4 s THR 226 Cb -0.17 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1du4 s THR 226 CO 0.57 0.01 0.00 0.18 -0.69 0.00 0.00 174.62 174.69 1du4 n LEU 227 N 1.29 0.30 -4.49 4.42 4.77 -1.26 -4.99 117.00 117.03 1du4 n LEU 227 Ca 0.04 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 1du4 n LEU 227 Cb 0.38 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.84 1du4 n LEU 227 CO 0.64 -0.50 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.17 1du4 s VAL 228 N -1.64 3.98 0.28 4.08 1.01 -0.60 -5.06 120.40 122.45 1du4 s VAL 228 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 1du4 s VAL 228 Cb 0.00 -2.76 -0.14 0.00 0.00 0.00 0.00 36.38 33.48 1du4 s VAL 228 CO 0.00 0.47 1.07 -2.65 0.00 0.00 0.00 175.10 173.99 1du4 n PRO 229 N 3.76 1.44 -3.31 2.72 -0.02 -1.26 -4.76 135.00 133.56 1du4 n PRO 229 Ca -0.17 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 1du4 n PRO 229 Cb 0.52 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.93 4.87 0.37 -1.45 1.01 -1.26 -4.95 120.40 118.05 1du4 s VAL 230 Ca 0.60 1.12 0.09 0.00 0.00 0.00 0.00 61.98 63.79 1du4 s VAL 230 Cb -0.70 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 31.75 1du4 s VAL 230 CO 0.59 0.51 -0.05 0.42 0.00 0.00 0.00 175.10 176.58 1du4 s THR 231 N -0.77 2.16 0.55 3.92 -4.23 -1.26 -5.02 115.64 110.99 1du4 s THR 231 Ca 0.28 -2.11 0.33 0.00 -1.18 0.00 0.00 61.69 59.01 1du4 s THR 231 Cb -0.18 -2.79 0.37 0.00 1.34 0.00 0.00 72.50 71.23 1du4 s THR 231 CO 0.17 -0.12 2.24 0.08 -0.54 0.00 0.00 174.62 176.44 1du4 h ARG 232 N 1.91 0.00 0.00 3.99 0.11 -1.94 -0.79 114.38 117.67 1du4 h ARG 232 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 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 0.74 0.03 0.00 0.09 0.10 0.00 0.00 179.97 180.93 1du4 n ASN 233 N -3.58 0.35 -0.18 0.08 4.13 -1.26 -2.45 115.26 112.34 1du4 n ASN 233 Ca -0.03 0.54 0.13 0.00 1.68 0.00 0.00 54.58 56.91 1du4 n ASN 233 Cb 0.12 -0.63 0.45 0.00 -1.54 0.00 0.00 39.78 38.18 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 -1.83 0.78 -4.47 6.41 8.00 -0.30 -4.29 116.55 120.85 1du4 n ASP 234 Ca 0.06 -0.71 -0.37 0.00 0.71 0.00 0.00 54.79 54.48 1du4 n ASP 234 Cb 0.36 0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.54 4.57 -0.04 0.53 1.01 -1.23 -0.21 121.20 123.29 1du4 s ILE 235 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1du4 s ILE 235 Cb 0.19 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1du4 s ILE 235 CO 0.52 0.26 -0.04 -0.69 0.00 0.00 0.00 174.94 174.98 1du4 s VAL 236 N 1.64 3.87 -0.34 2.92 1.01 0.46 -3.82 120.40 126.14 1du4 s VAL 236 Ca 0.06 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1du4 s VAL 236 Cb -0.16 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1du4 s VAL 236 CO 0.06 0.51 0.42 -0.75 0.00 0.00 0.00 175.10 175.33 1du4 s LYS 237 N -1.12 3.61 -0.33 2.72 2.20 -1.26 -0.57 119.74 124.99 1du4 s LYS 237 Ca 0.15 -0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 1du4 s LYS 237 Cb -0.11 -3.80 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1du4 s LYS 237 CO 0.05 -0.55 0.16 0.42 -0.36 0.00 0.00 175.35 175.07 1du4 s ILE 238 N 2.16 4.51 0.12 5.43 1.01 0.13 -4.95 121.20 129.61 1du4 s ILE 238 Ca 0.15 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1du4 s ILE 238 Cb -0.16 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 1du4 s ILE 238 CO 0.12 -0.04 0.49 -1.61 0.00 0.00 0.00 174.94 173.90 1du4 s GLU 239 N 1.58 3.90 0.00 2.79 0.41 -1.26 -0.54 118.70 125.57 1du4 s GLU 239 Ca 0.03 0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.97 1du4 s GLU 239 Cb -0.18 -2.97 0.00 0.00 -1.78 0.00 0.00 34.13 29.20 1du4 s GLU 239 CO 0.06 0.52 0.00 0.41 -0.49 0.00 0.00 175.26 175.76 1du4 n GLY 240 N 0.88 3.77 3.68 -1.39 0.00 -1.26 -4.74 105.19 106.12 1du4 n GLY 240 Ca -0.07 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.09 3.34 -1.13 -0.61 1.01 -1.26 -1.91 121.20 120.55 1du4 s ILE 241 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1du4 s ILE 241 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1du4 s ILE 241 CO 0.00 -0.03 0.00 0.47 0.00 0.00 0.00 174.94 175.38 1du4 n ASP 242 N 6.28 -4.13 -4.62 3.58 8.00 -1.17 -4.94 116.55 119.55 1du4 n ASP 242 Ca 0.16 0.16 -0.38 0.00 0.71 0.00 0.00 54.79 55.44 1du4 n ASP 242 Cb 0.42 -2.94 0.05 0.00 -0.02 0.00 0.00 41.12 38.62 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 0.04 0.27 0.77 2.24 0.00 -0.80 -4.97 120.51 118.06 1du4 n ALA 243 Ca -0.13 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1du4 n ALA 243 Cb 0.48 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.61 0.00 1.42 0.00 -2.24 -1.26 -4.54 114.28 106.05 1du4 n THR 244 Ca 0.13 -0.34 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1du4 n THR 244 Cb 0.47 1.23 0.66 0.00 -2.10 0.00 0.00 70.33 70.59 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 1.18 -1.05 0.00 3.38 0.00 -1.26 -4.32 105.19 103.12 1du4 n GLY 245 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 1.28 0.85 0.21 -0.02 0.00 -1.26 -4.96 105.19 101.29 1du4 n GLY 246 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 1.61 -0.73 -1.88 -3.37 115.58 111.21 1du4 h ASN 247 Ca 0.00 0.00 -0.68 0.00 1.87 0.00 0.00 56.30 57.49 1du4 h ASN 247 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1du4 h ASN 247 CO 0.00 0.28 3.42 -3.20 -0.37 0.00 0.00 177.43 177.56 1du4 n ASN 248 N -3.50 6.00 -4.50 1.15 5.15 -1.26 -4.89 115.26 113.41 1du4 n ASN 248 Ca -0.00 -2.70 -0.30 0.00 -0.60 0.00 0.00 54.58 50.98 1du4 n ASN 248 Cb 0.44 -1.58 -0.11 0.00 -0.53 0.00 0.00 39.78 38.00 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 2.81 1.96 -1.59 1.20 -0.21 -1.26 -4.47 119.66 118.10 1du4 s GLN 249 Ca 0.57 -1.08 -0.10 0.00 0.02 0.00 0.00 55.36 54.77 1du4 s GLN 249 Cb 0.16 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.92 1du4 s GLN 249 CO -0.07 0.51 2.83 -0.35 -2.12 0.00 0.00 175.29 176.09 1du4 n PRO 250 N 1.02 3.68 -3.69 2.91 -0.04 -1.26 -4.91 135.00 132.71 1du4 n PRO 250 Ca -0.15 -2.35 -0.20 0.00 -0.04 0.00 0.00 63.50 60.76 1du4 n PRO 250 Cb 0.52 -2.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.10 1du4 n PRO 250 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1du4 n ASN 251 N 3.73 2.52 -4.76 3.54 0.23 -1.26 -5.10 115.26 114.16 1du4 n ASN 251 Ca 0.74 -2.43 -0.39 0.00 -0.53 0.00 0.00 54.58 51.97 1du4 n ASN 251 Cb 0.25 0.33 -0.06 0.00 -2.08 0.00 0.00 39.78 38.22 1du4 n ASN 251 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1du4 s ILE 252 N -2.26 3.94 0.69 1.53 -5.25 -1.26 -5.04 121.20 113.55 1du4 s ILE 252 Ca 0.03 1.86 -0.03 0.00 -0.99 0.00 0.00 60.65 61.51 1du4 s ILE 252 Cb 0.00 -4.14 0.08 0.00 2.95 0.00 0.00 42.46 41.35 1du4 s ILE 252 CO 0.02 0.37 0.96 -2.16 -1.79 0.00 0.00 174.94 172.35 1du4 s PRO 253 N -1.49 2.03 0.03 0.37 0.04 -1.26 -4.94 135.00 129.78 1du4 s PRO 253 Ca 0.45 -0.66 -0.01 0.00 0.04 0.00 0.00 61.00 60.82 1du4 s PRO 253 Cb -0.26 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1du4 s PRO 253 CO 0.32 -1.24 -0.03 0.34 0.04 0.00 0.00 177.00 176.44 1du4 s ASP 254 N -4.58 0.33 -0.11 6.66 -1.08 -0.97 -4.91 116.67 112.01 1du4 s ASP 254 Ca 0.62 -0.70 -0.07 0.00 -0.52 0.00 0.00 52.55 51.89 1du4 s ASP 254 Cb -0.09 0.14 -0.27 0.00 -1.46 0.00 0.00 42.92 41.25 1du4 s ASP 254 CO 0.43 -0.42 0.40 0.40 0.52 0.00 0.00 175.17 176.50 1du4 h ILE 255 N 4.03 0.66 -0.51 4.11 2.04 -1.98 -2.82 117.51 123.04 1du4 h ILE 255 Ca -0.33 -2.36 0.07 0.00 1.00 0.00 0.00 64.86 63.24 1du4 h ILE 255 Cb 1.18 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 39.77 1du4 h ILE 255 CO 0.51 0.90 0.35 -0.65 0.00 0.00 0.00 178.15 179.25 1du4 h PRO 256 N 0.08 0.38 0.00 2.37 0.11 -1.99 0.15 132.00 133.10 1du4 h PRO 256 Ca -0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1du4 h PRO 256 Cb 2.04 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 33.06 1du4 h PRO 256 CO 0.10 0.25 -0.03 0.00 -0.21 0.00 0.00 178.00 178.11 1du4 h ALA 257 N 1.73 1.71 0.00 -0.75 0.00 -1.93 -2.04 119.26 117.97 1du4 h ALA 257 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1du4 h ALA 257 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1du4 h ALA 257 CO -0.06 0.04 -0.13 1.25 0.00 0.00 0.00 179.25 180.36 1du4 h HIS 258 N 0.00 0.00 -0.54 0.00 6.17 -0.86 -3.11 115.15 116.80 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 0.07 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.00 1du4 h HIS 258 CO 0.00 0.13 0.00 1.28 0.71 0.00 0.00 177.93 180.05 1du4 n LEU 259 N -3.58 4.27 -3.52 0.26 4.77 -0.77 -4.76 117.00 113.67 1du4 n LEU 259 Ca -0.01 -2.43 -0.29 0.00 -0.03 0.00 0.00 56.01 53.25 1du4 n LEU 259 Cb 0.26 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.73 1du4 n LEU 259 CO 0.30 0.79 -0.29 0.86 -1.33 0.00 0.00 177.39 177.72 1du4 s TRP 260 N -1.79 1.17 -0.57 -1.77 -0.11 -1.18 -2.07 118.94 112.62 1du4 s TRP 260 Ca 0.45 -2.01 0.04 0.00 1.22 0.00 0.00 56.10 55.80 1du4 s TRP 260 Cb 0.29 -1.19 0.14 0.00 -1.50 0.00 0.00 33.47 31.21 1du4 s TRP 260 CO 0.21 -0.81 0.33 0.71 -4.62 0.00 0.00 176.95 172.77 1du4 s TYR 261 N 0.61 3.13 0.00 5.86 1.51 -1.26 -4.75 117.35 122.45 1du4 s TYR 261 Ca 0.21 -3.13 0.00 0.00 -1.01 0.00 0.00 57.07 53.14 1du4 s TYR 261 Cb -0.17 -2.65 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1du4 s TYR 261 CO -0.04 -0.69 0.00 1.19 -1.11 0.00 0.00 175.55 174.90 1du4 n PHE 262 N 2.79 0.00 0.00 2.71 3.72 -1.26 -4.70 117.46 120.72 1du4 n PHE 262 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1du4 n PHE 262 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.14 0.08 3.77 1.37 0.00 -1.26 -4.56 105.19 103.45 1du4 n GLY 263 Ca 0.00 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1du4 n GLY 263 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1du4 n LEU 264 N 0.00 4.66 -3.78 0.99 7.94 -1.26 -4.14 117.00 121.41 1du4 n LEU 264 Ca 0.00 1.21 -0.13 0.00 -1.11 0.00 0.00 56.01 55.99 1du4 n LEU 264 Cb 0.00 -1.61 -0.12 0.00 0.53 0.00 0.00 43.42 42.22 1du4 n LEU 264 CO 0.00 0.14 -0.12 -0.51 -1.11 0.00 0.00 177.39 175.79 1du4 s ILE 265 N -0.89 -0.01 0.00 1.96 2.07 -0.88 -4.87 121.20 118.58 1du4 s ILE 265 Ca 0.55 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 1du4 s ILE 265 Cb -0.48 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 41.78 1du4 s ILE 265 CO 0.61 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 174.26 1du4 n GLY 266 N 3.23 0.72 0.07 1.50 0.00 -1.26 -4.50 105.19 104.96 1du4 n GLY 266 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.11 0.00 -2.07 2.61 -2.24 -1.26 -4.99 114.28 104.22 1du4 n THR 267 Ca 0.00 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 1du4 n THR 267 Cb 0.00 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1du4 n THR 267 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50