#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 3.65 0.85 2.62 -7.23 -1.03 -4.74 120.40 114.52 1du4 s VAL 2 Ca 0.00 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1du4 s VAL 2 Cb 0.00 -2.89 0.10 0.00 0.56 0.00 0.00 36.38 34.15 1du4 s VAL 2 CO 0.00 -0.24 1.09 -0.94 -0.31 0.00 0.00 175.10 174.70 1du4 s SER 3 N -3.31 3.90 0.36 4.85 1.04 -1.26 -4.75 113.70 114.52 1du4 s SER 3 Ca 0.29 1.51 0.05 0.00 0.48 0.00 0.00 55.95 58.29 1du4 s SER 3 Cb -0.08 -2.21 0.67 0.00 0.10 0.00 0.00 66.02 64.50 1du4 s SER 3 CO 0.19 -2.37 1.91 -0.61 0.98 0.00 0.00 173.24 173.35 1du4 h GLN 4 N -1.36 0.50 -0.25 4.02 5.75 -1.99 -1.58 115.11 120.21 1du4 h GLN 4 Ca -0.48 -0.09 -0.19 0.00 -0.15 0.00 0.00 58.65 57.74 1du4 h GLN 4 Cb 1.27 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.74 1du4 h GLN 4 CO 0.55 0.50 -0.61 0.22 -2.65 0.00 0.00 178.83 176.84 1du4 h ASP 5 N 0.49 0.93 -0.31 -0.69 3.58 -2.00 -1.99 116.42 116.43 1du4 h ASP 5 Ca 0.11 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 1du4 h ASP 5 Cb 0.26 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1du4 h ASP 5 CO 0.00 1.32 0.12 0.25 -2.88 0.00 0.00 179.24 178.05 1du4 h LEU 6 N 0.61 0.43 -0.29 2.28 5.85 -1.88 -1.61 115.31 120.72 1du4 h LEU 6 Ca -0.00 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1du4 h LEU 6 Cb 1.22 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 1du4 h LEU 6 CO 0.13 0.49 -0.21 0.15 -0.34 0.00 0.00 178.44 178.66 1du4 h PHE 7 N 0.35 -0.53 -0.73 1.25 3.57 -1.25 0.35 116.94 119.95 1du4 h PHE 7 Ca 0.10 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1du4 h PHE 7 Cb 0.20 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 1du4 h PHE 7 CO -0.00 -0.28 0.42 -0.91 -2.23 0.00 0.00 178.31 175.31 1du4 h ASN 8 N -0.18 0.64 -0.20 0.41 2.35 -1.03 -0.01 115.58 117.56 1du4 h ASN 8 Ca 0.15 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1du4 h ASN 8 Cb 0.42 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1du4 h ASN 8 CO -0.40 0.41 0.07 1.56 -1.65 0.00 0.00 177.43 177.42 1du4 h GLN 9 N 0.78 0.30 -0.87 0.81 4.20 -0.58 -0.47 115.11 119.27 1du4 h GLN 9 Ca 0.32 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.02 1du4 h GLN 9 Cb 0.19 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1du4 h GLN 9 CO -0.18 0.40 0.57 0.74 -0.67 0.00 0.00 178.83 179.69 1du4 h PHE 10 N 0.15 1.02 -0.22 2.96 0.04 0.16 -1.66 116.94 119.39 1du4 h PHE 10 Ca 0.06 0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.71 1du4 h PHE 10 Cb 0.22 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1du4 h PHE 10 CO -0.00 0.56 -0.47 -0.97 -0.60 0.00 0.00 178.31 176.83 1du4 h ASN 11 N 1.03 0.62 -0.03 2.17 -1.24 -0.92 -2.31 115.58 114.89 1du4 h ASN 11 Ca 0.36 -0.30 -0.17 0.00 0.71 0.00 0.00 56.30 56.91 1du4 h ASN 11 Cb 0.13 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 39.02 1du4 h ASN 11 CO -0.12 0.99 -0.65 0.25 -1.29 0.00 0.00 177.43 176.61 1du4 h LEU 12 N 0.46 0.62 -0.91 0.34 5.85 -0.49 -2.90 115.31 118.28 1du4 h LEU 12 Ca 0.03 -0.73 -0.06 0.00 0.84 0.00 0.00 57.88 57.96 1du4 h LEU 12 Cb 0.99 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1du4 h LEU 12 CO 0.09 1.26 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.89 1du4 h PHE 13 N 0.04 0.00 -0.57 1.25 0.04 -1.34 -1.75 116.94 114.60 1du4 h PHE 13 Ca -0.07 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1du4 h PHE 13 Cb 1.34 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.45 1du4 h PHE 13 CO 0.13 0.30 0.36 0.00 -0.60 0.00 0.00 178.31 178.50 1du4 h ALA 14 N 1.70 0.73 -0.52 2.45 0.00 -1.39 0.27 119.26 122.50 1du4 h ALA 14 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1du4 h ALA 14 Cb 0.87 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1du4 h ALA 14 CO 0.04 0.10 -0.11 1.96 0.00 0.00 0.00 179.25 181.25 1du4 h GLN 15 N 0.72 0.98 -0.83 0.00 4.20 -1.20 0.29 115.11 119.27 1du4 h GLN 15 Ca 0.22 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.58 1du4 h GLN 15 Cb -0.02 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 1du4 h GLN 15 CO -0.08 1.03 0.54 1.88 -0.67 0.00 0.00 178.83 181.53 1du4 h TYR 16 N 0.87 1.06 -0.31 2.96 0.05 -1.17 0.66 116.97 121.10 1du4 h TYR 16 Ca 0.14 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1du4 h TYR 16 Cb 0.66 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1du4 h TYR 16 CO 0.04 0.68 0.16 0.77 -1.05 0.00 0.00 178.16 178.76 1du4 h SER 17 N 1.13 0.39 -0.59 3.88 0.02 -0.13 -2.79 113.55 115.46 1du4 h SER 17 Ca 0.30 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1du4 h SER 17 Cb -0.11 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1du4 h SER 17 CO -0.06 0.38 0.29 0.00 -1.14 0.00 0.00 176.83 176.30 1du4 h ALA 18 N 1.03 1.35 -0.63 3.77 0.00 0.15 -2.97 119.26 121.96 1du4 h ALA 18 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1du4 h ALA 18 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1du4 h ALA 18 CO -0.02 0.51 0.42 0.00 0.00 0.00 0.00 179.25 180.16 1du4 h ALA 19 N 1.45 1.62 -0.44 0.00 0.00 -0.62 -1.67 119.26 119.61 1du4 h ALA 19 Ca 0.22 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1du4 h ALA 19 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1du4 h ALA 19 CO -0.03 0.32 0.34 0.00 0.00 0.00 0.00 179.25 179.89 1du4 h ALA 20 N 1.62 2.33 -0.01 0.00 0.00 -1.38 0.62 119.26 122.44 1du4 h ALA 20 Ca 0.25 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1du4 h ALA 20 Cb 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1du4 h ALA 20 CO -0.06 -0.57 -0.75 1.88 0.00 0.00 0.00 179.25 179.75 1du4 h TYR 21 N 0.00 0.17 -2.12 0.00 0.05 -1.45 -3.43 116.97 110.19 1du4 h TYR 21 Ca 0.21 -0.08 -0.58 0.00 0.05 0.00 0.00 58.73 58.33 1du4 h TYR 21 Cb 0.89 -0.02 0.02 0.00 1.01 0.00 0.00 36.73 38.62 1du4 h TYR 21 CO 0.00 0.82 1.22 0.00 -1.05 0.00 0.00 178.16 179.15 1du4 h GLY 23 N 10.62 1.49 2.00 0.00 0.00 -1.69 -2.27 103.07 113.22 1du4 h GLY 23 Ca -0.47 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1du4 h GLY 23 CO 0.95 -0.04 0.00 0.07 0.00 0.00 0.00 176.54 177.52 1du4 h LYS 24 N 0.67 0.00 -0.01 4.80 5.09 -1.89 -1.24 116.57 123.99 1du4 h LYS 24 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.23 1du4 h LYS 24 Cb 0.71 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.04 1du4 h LYS 24 CO -0.37 0.00 -0.14 0.09 -2.09 0.00 0.00 179.45 176.94 1du4 n ASN 25 N -3.00 0.83 -0.85 7.07 3.02 -0.85 -3.77 115.26 117.70 1du4 n ASN 25 Ca -0.02 -0.87 0.11 0.00 -0.03 0.00 0.00 54.58 53.77 1du4 n ASN 25 Cb 0.12 0.02 0.09 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.65 2.78 -2.70 6.41 5.03 -0.47 -4.58 115.26 121.07 1du4 n ASN 26 Ca 0.15 -1.88 -0.08 0.00 0.87 0.00 0.00 54.58 53.64 1du4 n ASN 26 Cb 0.31 -0.01 0.10 0.00 -1.02 0.00 0.00 39.78 39.16 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 1.19 -1.47 -4.76 6.41 8.00 -1.25 -2.86 116.55 121.80 1du4 n ASP 27 Ca 0.13 -2.61 -0.30 0.00 0.71 0.00 0.00 54.79 52.71 1du4 n ASP 27 Cb 0.53 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.44 1du4 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du4 s ALA 28 N -0.26 3.53 0.50 2.24 0.00 -1.25 -5.05 121.76 121.47 1du4 s ALA 28 Ca 0.23 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 1du4 s ALA 28 Cb 0.40 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.06 1du4 s ALA 28 CO -0.07 0.74 1.29 -2.14 0.00 0.00 0.00 175.76 175.58 1du4 s PRO 29 N -2.38 3.44 0.59 0.00 0.02 -1.26 -4.56 135.00 130.84 1du4 s PRO 29 Ca 0.29 2.07 -0.20 0.00 0.02 0.00 0.00 61.00 63.17 1du4 s PRO 29 Cb -0.12 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 1du4 s PRO 29 CO 0.21 -0.90 1.32 0.00 -0.33 0.00 0.00 177.00 177.31 1du4 n ALA 30 N -0.72 1.38 0.00 -1.55 0.00 -1.26 -2.49 120.51 115.87 1du4 n ALA 30 Ca 0.09 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1du4 n ALA 30 Cb 0.46 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 0.84 2.87 3.66 0.00 0.00 -0.44 -4.93 105.19 107.19 1du4 n GLY 31 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.63 1.87 -3.05 2.61 -1.04 -1.04 -4.62 114.28 108.39 1du4 n THR 32 Ca 0.00 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.05 61.43 1du4 n THR 32 Cb 0.00 -1.12 -0.06 0.00 -1.82 0.00 0.00 70.33 67.33 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 -2.06 7.09 -0.23 8.00 0.01 -1.26 -0.70 114.94 125.79 1du4 s ASN 33 Ca 0.72 1.48 -0.22 0.00 -0.71 0.00 0.00 52.86 54.13 1du4 s ASN 33 Cb -0.29 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 1du4 s ASN 33 CO 0.52 0.00 0.69 -0.63 -1.51 0.00 0.00 177.10 176.18 1du4 s ILE 34 N -1.57 4.95 0.07 0.60 1.01 0.05 -4.84 121.20 121.47 1du4 s ILE 34 Ca 0.45 1.29 0.06 0.00 0.00 0.00 0.00 60.65 62.45 1du4 s ILE 34 Cb -0.17 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1du4 s ILE 34 CO 0.21 0.03 -0.17 0.42 0.00 0.00 0.00 174.94 175.43 1du4 s THR 35 N 2.40 1.33 -0.08 2.92 -4.23 -1.26 -4.42 115.64 112.30 1du4 s THR 35 Ca 0.30 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 1du4 s THR 35 Cb -0.16 -1.22 -0.00 0.00 1.34 0.00 0.00 72.50 72.46 1du4 s THR 35 CO 0.09 -0.06 -0.22 0.00 -0.54 0.00 0.00 174.62 173.89 1du4 s THR 37 N 0.27 4.20 -0.38 0.00 -4.23 -1.26 -4.03 115.64 110.20 1du4 s THR 37 Ca -0.14 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 1du4 s THR 37 Cb -0.16 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1du4 s THR 37 CO 0.07 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 173.82 1du4 n GLY 38 N -2.46 0.66 3.68 3.99 0.00 -1.26 -3.44 105.19 106.36 1du4 n GLY 38 Ca 0.07 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 0.92 -1.48 -0.08 1.61 4.13 -1.26 -4.92 115.26 114.20 1du4 n ASN 39 Ca -0.04 -0.82 0.07 0.00 1.68 0.00 0.00 54.58 55.47 1du4 n ASN 39 Cb 0.14 -4.08 -0.06 0.00 -1.54 0.00 0.00 39.78 34.24 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 -4.23 3.66 -2.93 5.41 0.00 -1.22 -4.65 120.51 116.54 1du4 n ALA 40 Ca -0.29 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 1du4 n ALA 40 Cb 0.67 -0.51 0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 2.90 0.49 0.00 0.00 0.13 -1.94 -0.98 132.00 132.60 1du4 h PRO 42 Ca -0.02 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 1du4 h PRO 42 Cb 1.07 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1du4 h PRO 42 CO 0.35 0.42 -0.35 0.93 -0.23 0.00 0.00 178.00 179.12 1du4 h GLU 43 N 0.49 0.00 -0.09 0.86 4.39 -1.96 0.72 114.58 118.99 1du4 h GLU 43 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1du4 h GLU 43 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1du4 h GLU 43 CO -0.01 0.35 -0.34 0.28 -1.16 0.00 0.00 179.01 178.13 1du4 h VAL 44 N 0.00 1.40 -0.44 3.13 2.07 -1.56 -3.13 116.25 117.73 1du4 h VAL 44 Ca -0.00 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 65.72 1du4 h VAL 44 Cb 0.70 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1du4 h VAL 44 CO 0.05 0.50 -0.11 -0.33 0.02 0.00 0.00 177.57 177.70 1du4 h GLU 45 N -0.06 0.78 -0.76 1.57 5.08 -0.94 -2.31 114.58 117.94 1du4 h GLU 45 Ca -0.02 -0.26 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1du4 h GLU 45 Cb 0.98 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 1du4 h GLU 45 CO 0.07 0.86 0.50 -0.22 -1.00 0.00 0.00 179.01 179.22 1du4 h LYS 46 N 0.71 0.77 -7.64 2.33 3.64 -0.95 -3.44 116.57 111.99 1du4 h LYS 46 Ca 0.12 -0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 59.00 1du4 h LYS 46 Cb 0.58 -0.17 0.13 0.00 -0.41 0.00 0.00 32.23 32.37 1du4 h LYS 46 CO 0.04 0.51 0.37 0.00 -2.27 0.00 0.00 179.45 178.09 1du4 s ALA 47 N -5.71 2.16 -1.33 5.00 0.00 -0.87 -4.94 121.76 116.07 1du4 s ALA 47 Ca -0.10 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 1du4 s ALA 47 Cb 0.20 -2.91 0.11 0.00 0.00 0.00 0.00 23.12 20.52 1du4 s ALA 47 CO 0.78 -2.21 1.92 -3.47 0.00 0.00 0.00 175.76 172.78 1du4 n ASP 48 N -3.68 4.68 -4.33 0.00 2.03 -1.26 -4.91 116.55 109.07 1du4 n ASP 48 Ca 0.10 -2.98 -0.40 0.00 0.52 0.00 0.00 54.79 52.04 1du4 n ASP 48 Cb 0.60 -1.58 -0.11 0.00 -0.72 0.00 0.00 41.12 39.30 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 1.93 3.22 0.31 -1.67 0.00 -1.26 -2.11 121.76 122.18 1du4 s ALA 49 Ca 0.44 -1.80 0.11 0.00 0.00 0.00 0.00 51.96 50.71 1du4 s ALA 49 Cb 0.09 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 1du4 s ALA 49 CO -0.02 -1.42 -0.14 0.95 0.00 0.00 0.00 175.76 175.13 1du4 s THR 50 N 1.49 2.41 0.24 0.00 -4.23 -0.42 -0.77 115.64 114.37 1du4 s THR 50 Ca 0.01 -2.29 -0.27 0.00 -1.18 0.00 0.00 61.69 57.96 1du4 s THR 50 Cb -0.20 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 1du4 s THR 50 CO 0.05 -0.31 0.89 -0.36 -0.54 0.00 0.00 174.62 174.36 1du4 s PHE 51 N -2.55 3.88 -0.11 3.99 0.08 0.13 -1.07 117.98 122.33 1du4 s PHE 51 Ca 0.31 1.80 -0.04 0.00 0.12 0.00 0.00 56.93 59.12 1du4 s PHE 51 Cb -0.02 -2.90 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 1du4 s PHE 51 CO 0.16 0.41 -0.13 1.28 -0.10 0.00 0.00 175.22 176.84 1du4 n LEU 52 N 1.24 1.48 -3.74 -0.37 4.77 -0.18 -1.32 117.00 118.87 1du4 n LEU 52 Ca -0.02 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1du4 n LEU 52 Cb 0.48 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1du4 n LEU 52 CO 0.47 0.37 -0.07 -0.47 -1.33 0.00 0.00 177.39 176.36 1du4 s TYR 53 N -2.21 -0.35 -0.03 -1.77 5.04 -0.99 -4.76 117.35 112.27 1du4 s TYR 53 Ca -0.15 0.83 0.06 0.00 -2.44 0.00 0.00 57.07 55.37 1du4 s TYR 53 Cb 0.05 0.10 -0.01 0.00 0.35 0.00 0.00 41.96 42.45 1du4 s TYR 53 CO 0.21 -0.21 -0.21 0.45 -1.34 0.00 0.00 175.55 174.45 1du4 s SER 54 N 0.82 2.50 0.06 4.32 0.15 -1.26 0.11 113.70 120.40 1du4 s SER 54 Ca -0.06 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.12 1du4 s SER 54 Cb -0.07 -0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 63.73 1du4 s SER 54 CO -0.05 0.22 0.15 0.72 1.20 0.00 0.00 173.24 175.48 1du4 s PHE 55 N -0.24 0.17 -0.25 3.44 -0.12 -0.80 -4.83 117.98 115.34 1du4 s PHE 55 Ca 0.01 -0.52 -0.23 0.00 -0.05 0.00 0.00 56.93 56.15 1du4 s PHE 55 Cb -0.10 -0.10 0.07 0.00 -0.63 0.00 0.00 43.02 42.25 1du4 s PHE 55 CO 0.01 -0.46 0.67 -1.83 -0.05 0.00 0.00 175.22 173.56 1du4 s GLU 56 N -3.23 0.77 -1.30 1.99 -1.05 -1.23 -1.74 118.70 112.91 1du4 s GLU 56 Ca 0.00 0.96 -0.18 0.00 -0.15 0.00 0.00 54.97 55.60 1du4 s GLU 56 Cb 0.02 0.36 0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1du4 s GLU 56 CO -0.08 -0.10 0.52 -0.25 0.95 0.00 0.00 175.26 176.31 1du4 n ASP 57 N 2.86 -2.68 -4.91 0.83 8.00 -1.00 -4.90 116.55 114.76 1du4 n ASP 57 Ca -0.14 -1.18 -0.29 0.00 0.71 0.00 0.00 54.79 53.89 1du4 n ASP 57 Cb 0.56 -2.32 -0.04 0.00 -0.02 0.00 0.00 41.12 39.29 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 -3.85 6.23 0.87 -2.24 0.15 -0.48 -4.71 113.70 109.67 1du4 s SER 58 Ca 0.30 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1du4 s SER 58 Cb -0.14 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1du4 s SER 58 CO 0.94 0.11 0.00 0.61 1.20 0.00 0.00 173.24 176.10 1du4 n GLY 59 N -0.10 1.23 0.10 9.45 0.00 -1.26 -1.69 105.19 112.93 1du4 n GLY 59 Ca -0.06 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 1.45 -0.51 1.61 2.07 -1.88 -3.37 116.25 115.63 1du4 h VAL 60 Ca 0.00 -2.44 -0.20 0.00 0.82 0.00 0.00 66.70 64.88 1du4 h VAL 60 Cb 0.00 3.09 -0.12 0.00 -1.52 0.00 0.00 31.29 32.74 1du4 h VAL 60 CO 0.00 0.66 0.26 0.61 0.02 0.00 0.00 177.57 179.11 1du4 n GLY 61 N 1.65 3.11 3.80 2.17 0.00 -1.26 -4.90 105.19 109.76 1du4 n GLY 61 Ca -0.16 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.18 -1.70 -4.65 1.61 9.92 -1.19 -4.86 116.55 115.49 1du4 n ASP 62 Ca 0.29 -0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 53.18 1du4 n ASP 62 Cb 1.07 -3.47 -0.03 0.00 -0.64 0.00 0.00 41.12 38.05 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 -3.76 3.52 0.06 2.53 1.01 -0.68 -3.77 120.40 119.31 1du4 s VAL 63 Ca 0.11 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.75 1du4 s VAL 63 Cb -0.04 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1du4 s VAL 63 CO 0.86 -0.10 -0.12 -0.89 0.00 0.00 0.00 175.10 174.84 1du4 s THR 64 N 4.57 0.94 -5.00 3.92 2.01 -1.26 -1.38 115.64 119.43 1du4 s THR 64 Ca 0.76 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1du4 s THR 64 Cb -0.32 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1du4 s THR 64 CO 0.31 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1du4 n GLY 65 N 1.46 0.14 3.39 4.40 0.00 -0.71 -0.44 105.19 113.43 1du4 n GLY 65 Ca -0.21 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.31 -0.42 -0.19 1.61 -0.12 -0.66 -1.91 117.98 112.97 1du4 s PHE 66 Ca 0.00 0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 57.14 1du4 s PHE 66 Cb 0.00 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.81 1du4 s PHE 66 CO 0.00 -0.75 -0.12 -1.17 -0.05 0.00 0.00 175.22 173.13 1du4 s LEU 67 N -2.52 2.54 0.21 -1.99 2.96 0.12 -0.30 118.68 119.70 1du4 s LEU 67 Ca -0.00 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.52 1du4 s LEU 67 Cb -0.00 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1du4 s LEU 67 CO -0.09 0.02 -0.22 0.00 -1.32 0.00 0.00 176.35 174.74 1du4 s ALA 68 N 1.22 2.51 -0.15 5.97 0.00 0.14 -1.01 121.76 130.44 1du4 s ALA 68 Ca 0.02 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.28 1du4 s ALA 68 Cb -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1du4 s ALA 68 CO -0.06 0.35 -0.09 -1.17 0.00 0.00 0.00 175.76 174.79 1du4 s LEU 69 N -2.93 2.88 -0.39 0.00 2.96 -0.23 -0.31 118.68 120.65 1du4 s LEU 69 Ca 0.23 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1du4 s LEU 69 Cb -0.07 -1.67 0.11 0.00 0.50 0.00 0.00 46.19 45.06 1du4 s LEU 69 CO 0.11 0.13 0.13 -0.62 -1.32 0.00 0.00 176.35 174.79 1du4 s ASP 70 N 0.55 4.40 0.42 3.68 -1.08 0.17 -1.30 116.67 123.51 1du4 s ASP 70 Ca -0.06 -2.35 0.19 0.00 -0.52 0.00 0.00 52.55 49.81 1du4 s ASP 70 Cb -0.15 -1.43 0.92 0.00 -1.46 0.00 0.00 42.92 40.79 1du4 s ASP 70 CO 0.03 -0.33 1.87 0.78 0.52 0.00 0.00 175.17 178.04 1du4 h ASN 71 N 7.30 0.00 0.16 -0.34 2.35 -1.70 0.93 115.58 124.27 1du4 h ASN 71 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1du4 h ASN 71 Cb 0.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1du4 h ASN 71 CO 0.55 0.30 -0.08 0.74 -1.65 0.00 0.00 177.43 177.29 1du4 h THR 72 N 0.00 0.96 0.00 2.81 2.02 -1.94 -3.28 112.91 113.48 1du4 h THR 72 Ca -0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1du4 h THR 72 Cb 0.63 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1du4 h THR 72 CO 0.04 0.14 -0.76 0.59 0.37 0.00 0.00 175.52 175.90 1du4 n ASN 73 N -5.05 0.68 -2.44 4.18 3.02 -1.18 -4.99 115.26 109.48 1du4 n ASN 73 Ca -0.09 -0.48 -0.09 0.00 -0.03 0.00 0.00 54.58 53.89 1du4 n ASN 73 Cb 0.21 0.59 0.04 0.00 -0.61 0.00 0.00 39.78 40.02 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 -1.59 -2.09 -4.14 3.52 5.02 0.31 -4.89 118.16 114.29 1du4 n LYS 74 Ca 0.04 0.48 -0.15 0.00 -2.02 0.00 0.00 58.31 56.67 1du4 n LYS 74 Cb 0.35 -4.08 -0.11 0.00 -0.02 0.00 0.00 35.03 31.17 1du4 n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1du4 s LEU 75 N -4.37 2.33 -0.29 -0.35 1.43 -0.53 -1.93 118.68 114.95 1du4 s LEU 75 Ca 0.17 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1du4 s LEU 75 Cb -0.02 -0.31 0.06 0.00 0.03 0.00 0.00 46.19 45.96 1du4 s LEU 75 CO 0.41 -0.20 -0.03 -0.63 0.23 0.00 0.00 176.35 176.13 1du4 s ILE 76 N -1.86 2.54 -0.24 -0.59 1.01 -0.75 -0.65 121.20 120.65 1du4 s ILE 76 Ca -0.01 -1.67 -0.06 0.00 0.00 0.00 0.00 60.65 58.90 1du4 s ILE 76 Cb -0.07 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1du4 s ILE 76 CO 0.01 -0.17 0.04 -0.69 0.00 0.00 0.00 174.94 174.12 1du4 s VAL 77 N 1.13 4.07 -0.37 2.92 1.01 0.58 -1.71 120.40 128.02 1du4 s VAL 77 Ca -0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 1du4 s VAL 77 Cb -0.20 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1du4 s VAL 77 CO -0.04 0.36 0.35 -0.22 0.00 0.00 0.00 175.10 175.55 1du4 s LEU 78 N 1.54 4.69 -0.31 3.92 2.96 -0.55 0.23 118.68 131.16 1du4 s LEU 78 Ca 0.06 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1du4 s LEU 78 Cb -0.15 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.30 1du4 s LEU 78 CO 0.02 -0.40 0.04 -0.55 -1.32 0.00 0.00 176.35 174.14 1du4 s SER 79 N 1.74 5.03 0.14 3.68 0.15 0.58 -0.58 113.70 124.44 1du4 s SER 79 Ca 0.09 -1.12 -0.16 0.00 0.70 0.00 0.00 55.95 55.47 1du4 s SER 79 Cb -0.17 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.28 1du4 s SER 79 CO 0.12 -0.27 0.56 -0.36 1.20 0.00 0.00 173.24 174.49 1du4 s PHE 80 N 1.35 3.64 0.06 3.44 0.08 0.62 -1.66 117.98 125.51 1du4 s PHE 80 Ca -0.02 1.12 -0.01 0.00 0.12 0.00 0.00 56.93 58.13 1du4 s PHE 80 Cb -0.19 -2.41 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1du4 s PHE 80 CO 0.01 0.45 0.24 0.50 -0.10 0.00 0.00 175.22 176.32 1du4 s ARG 81 N -1.81 3.48 0.55 0.44 3.00 0.41 -3.77 118.95 121.25 1du4 s ARG 81 Ca 0.36 -0.35 -0.09 0.00 -1.00 0.00 0.00 55.73 54.65 1du4 s ARG 81 Cb -0.16 -3.01 0.13 0.00 0.00 0.00 0.00 34.95 31.91 1du4 s ARG 81 CO 0.19 0.59 0.75 0.41 0.00 0.00 0.00 175.30 177.25 1du4 n GLY 82 N 0.37 -1.34 3.78 8.12 0.00 -1.23 -3.39 105.19 111.50 1du4 n GLY 82 Ca -0.05 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 1du4 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1du4 s SER 83 N -3.76 6.57 0.56 1.61 1.04 -1.26 -4.84 113.70 113.62 1du4 s SER 83 Ca 0.43 2.15 0.29 0.00 0.48 0.00 0.00 55.95 59.30 1du4 s SER 83 Cb -0.01 -2.59 1.66 0.00 0.10 0.00 0.00 66.02 65.18 1du4 s SER 83 CO 0.30 -0.63 2.17 -0.09 0.98 0.00 0.00 173.24 175.97 1du4 h ARG 84 N 2.40 0.00 -3.00 4.02 1.12 -1.96 -3.34 114.38 113.62 1du4 h ARG 84 Ca -0.49 0.00 -0.62 0.00 -1.11 0.00 0.00 59.98 57.77 1du4 h ARG 84 Cb 1.23 0.00 -0.40 0.00 -0.01 0.00 0.00 29.97 30.78 1du4 h ARG 84 CO 0.62 0.06 -0.70 0.45 -3.11 0.00 0.00 179.97 177.28 1du4 s SER 85 N -6.11 3.80 0.11 -3.80 0.15 -1.26 -5.01 113.70 101.58 1du4 s SER 85 Ca -0.04 -3.11 -0.28 0.00 0.70 0.00 0.00 55.95 53.22 1du4 s SER 85 Cb 0.14 -1.23 -0.08 0.00 -1.71 0.00 0.00 66.02 63.13 1du4 s SER 85 CO 0.56 -0.19 1.62 0.40 1.20 0.00 0.00 173.24 176.83 1du4 h ILE 86 N 4.97 0.34 -0.36 6.45 1.08 -1.93 -0.50 117.51 127.55 1du4 h ILE 86 Ca 0.06 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1du4 h ILE 86 Cb 0.87 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1du4 h ILE 86 CO 0.57 0.00 0.24 -0.33 -0.69 0.00 0.00 178.15 177.95 1du4 h GLU 87 N -0.53 0.34 0.14 2.37 3.07 -1.95 -1.82 114.58 116.21 1du4 h GLU 87 Ca 0.03 -0.02 -0.30 0.00 -0.50 0.00 0.00 59.36 58.57 1du4 h GLU 87 Cb 0.56 -0.08 0.03 0.00 -0.84 0.00 0.00 28.75 28.42 1du4 h GLU 87 CO -0.18 0.22 -1.26 -0.97 -1.40 0.00 0.00 179.01 175.42 1du4 h ASN 88 N 0.35 0.87 -1.00 1.42 -0.73 -1.72 -3.09 115.58 111.67 1du4 h ASN 88 Ca 0.15 -0.84 0.01 0.00 1.87 0.00 0.00 56.30 57.49 1du4 h ASN 88 Cb 0.17 -0.27 -0.05 0.00 0.27 0.00 0.00 38.32 38.44 1du4 h ASN 88 CO -0.03 1.62 0.66 -0.25 -0.37 0.00 0.00 177.43 179.06 1du4 h TRP 89 N 0.23 1.25 -0.04 0.67 7.01 -0.44 -2.87 115.95 121.77 1du4 h TRP 89 Ca -0.20 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.83 1du4 h TRP 89 Cb 1.94 -0.42 -0.00 0.00 -2.10 0.00 0.00 29.16 28.57 1du4 h TRP 89 CO 0.12 0.79 0.02 0.82 -2.79 0.00 0.00 178.44 177.40 1du4 h ILE 90 N 1.35 1.02 0.00 2.65 2.04 -1.41 -1.79 117.51 121.37 1du4 h ILE 90 Ca 0.37 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1du4 h ILE 90 Cb -0.15 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1du4 h ILE 90 CO -0.08 0.02 0.00 0.61 0.00 0.00 0.00 178.15 178.70 1du4 n GLY 91 N -1.06 -1.21 0.21 5.37 0.00 -1.15 -2.62 105.19 104.73 1du4 n GLY 91 Ca -0.06 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.21 1.45 -4.65 1.61 3.02 -1.10 -5.03 115.26 108.35 1du4 n ASN 92 Ca 0.02 -1.23 -0.43 0.00 -0.03 0.00 0.00 54.58 52.90 1du4 n ASN 92 Cb 0.20 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1du4 n ASN 92 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1du4 n LEU 93 N 0.29 3.87 -4.78 3.41 7.94 -0.69 -4.96 117.00 122.09 1du4 n LEU 93 Ca 0.03 0.79 -0.37 0.00 -1.11 0.00 0.00 56.01 55.35 1du4 n LEU 93 Cb 0.13 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.56 1du4 n LEU 93 CO 0.03 0.00 0.78 0.21 -1.11 0.00 0.00 177.39 177.31 1du4 s ASN 94 N 5.10 6.39 -0.25 1.96 3.84 -1.26 -4.99 114.94 125.72 1du4 s ASN 94 Ca 0.92 2.18 0.12 0.00 0.21 0.00 0.00 52.86 56.28 1du4 s ASN 94 Cb -0.47 -2.59 0.51 0.00 -0.55 0.00 0.00 41.25 38.15 1du4 s ASN 94 CO 0.43 -0.75 1.45 0.49 -2.79 0.00 0.00 177.10 175.93 1du4 n PHE 95 N -0.38 1.06 -2.43 0.43 3.72 -1.26 -4.98 117.46 113.62 1du4 n PHE 95 Ca 0.07 -1.34 -0.39 0.00 -0.05 0.00 0.00 57.45 55.74 1du4 n PHE 95 Cb 0.49 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.56 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 -2.31 7.00 0.27 4.37 1.01 -1.26 -4.96 116.67 120.79 1du4 s ASP 96 Ca 0.44 2.26 0.08 0.00 0.71 0.00 0.00 52.55 56.04 1du4 s ASP 96 Cb 0.38 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1du4 s ASP 96 CO 0.03 -0.33 0.18 -0.76 0.21 0.00 0.00 175.17 174.50 1du4 s LEU 97 N -1.90 3.67 -0.08 1.23 1.43 -1.26 0.57 118.68 122.34 1du4 s LEU 97 Ca 0.50 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1du4 s LEU 97 Cb -0.30 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.75 1du4 s LEU 97 CO 0.39 -0.09 0.40 -1.59 0.23 0.00 0.00 176.35 175.69 1du4 s LYS 98 N -3.84 0.65 0.22 1.70 -2.85 -0.05 -4.60 119.74 110.97 1du4 s LYS 98 Ca 0.34 0.17 -0.31 0.00 -1.00 0.00 0.00 55.97 55.17 1du4 s LYS 98 Cb -0.07 0.30 -0.11 0.00 -2.06 0.00 0.00 37.83 35.89 1du4 s LYS 98 CO 0.24 -0.15 1.62 -1.83 0.10 0.00 0.00 175.35 175.33 1du4 s GLU 99 N -0.70 4.16 -0.50 1.78 4.04 -1.26 -1.32 118.70 124.91 1du4 s GLU 99 Ca -0.08 2.50 0.07 0.00 0.04 0.00 0.00 54.97 57.50 1du4 s GLU 99 Cb -0.04 -3.09 0.37 0.00 0.02 0.00 0.00 34.13 31.40 1du4 s GLU 99 CO 0.04 -0.65 0.95 0.44 -1.84 0.00 0.00 175.26 174.20 1du4 n ILE 100 N 3.32 2.27 0.28 1.83 -5.35 -0.22 -4.83 119.36 116.66 1du4 n ILE 100 Ca 0.12 -5.11 0.12 0.00 -0.27 0.00 0.00 62.75 57.62 1du4 n ILE 100 Cb 0.37 -1.05 0.79 0.00 -1.74 0.00 0.00 39.64 38.01 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 2.89 0.00 -0.64 7.28 2.35 -1.72 -1.32 115.58 124.41 1du4 h ASN 101 Ca 0.15 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.02 1du4 h ASN 101 Cb 0.72 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 1du4 h ASN 101 CO 0.76 0.03 0.18 -2.24 -1.65 0.00 0.00 177.43 174.51 1du4 h ASP 102 N 0.00 0.10 0.04 5.81 2.03 -1.95 -3.13 116.42 119.31 1du4 h ASP 102 Ca -0.00 0.11 -0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1du4 h ASP 102 Cb 0.07 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1du4 h ASP 102 CO 0.00 0.05 -0.02 0.40 -1.03 0.00 0.00 179.24 178.64 1du4 h ILE 103 N 0.32 0.92 -2.27 4.15 2.04 -1.68 -3.49 117.51 117.52 1du4 h ILE 103 Ca 0.34 -1.58 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 1du4 h ILE 103 Cb 0.50 1.71 -0.20 0.00 -0.74 0.00 0.00 36.82 38.08 1du4 h ILE 103 CO -0.39 0.30 0.05 0.00 0.00 0.00 0.00 178.15 178.11 1du4 s SER 105 N -0.79 6.44 0.00 0.00 0.15 -1.26 -2.47 113.70 115.77 1du4 s SER 105 Ca -0.08 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.34 1du4 s SER 105 Cb -0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1du4 s SER 105 CO 0.06 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1du4 n GLY 106 N 4.04 2.48 3.75 9.45 0.00 -1.26 -4.92 105.19 118.73 1du4 n GLY 106 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.00 0.99 0.16 0.00 0.52 -1.26 -1.05 118.95 117.31 1du4 s ARG 108 Ca 0.42 -0.12 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 1du4 s ARG 108 Cb -0.26 -1.04 -0.04 0.00 0.52 0.00 0.00 34.95 34.14 1du4 s ARG 108 CO 0.32 -0.14 0.01 0.20 0.02 0.00 0.00 175.30 175.71 1du4 s GLY 109 N 1.21 1.75 0.19 -3.53 0.00 -0.43 -0.70 107.32 105.80 1du4 s GLY 109 Ca -0.06 -1.32 -0.33 0.00 0.00 0.00 0.00 44.72 43.01 1du4 s GLY 109 CO -0.02 -1.33 1.44 1.57 0.00 0.00 0.00 173.10 174.76 1du4 n HIS 110 N -0.06 2.06 -0.08 1.90 -0.00 -0.56 -0.87 115.22 117.61 1du4 n HIS 110 Ca -0.10 0.42 -0.07 0.00 0.46 0.00 0.00 57.72 58.43 1du4 n HIS 110 Cb 0.55 -2.46 -0.00 0.00 -0.12 0.00 0.00 29.99 27.96 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 4.82 0.11 0.54 0.26 1.82 -0.13 -2.35 116.42 121.49 1du4 h ASP 111 Ca -0.45 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.20 1du4 h ASP 111 Cb 1.28 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.32 1du4 h ASP 111 CO 0.80 0.10 -0.27 1.23 -1.61 0.00 0.00 179.24 179.49 1du4 h GLY 112 N 0.23 -0.77 0.80 -0.78 0.00 -1.91 0.04 103.07 100.68 1du4 h GLY 112 Ca 0.14 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.78 1du4 h GLY 112 CO -0.14 -0.28 0.01 0.74 0.00 0.00 0.00 176.54 176.86 1du4 h PHE 113 N -0.74 0.01 -0.38 5.60 0.04 -1.95 0.46 116.94 119.97 1du4 h PHE 113 Ca -0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1du4 h PHE 113 Cb 0.57 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1du4 h PHE 113 CO -0.05 -0.01 0.17 1.15 -0.60 0.00 0.00 178.31 178.97 1du4 h THR 114 N 0.06 1.18 -0.32 -1.55 2.02 -1.47 -1.58 112.91 111.26 1du4 h THR 114 Ca 0.07 -0.54 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 1du4 h THR 114 Cb 0.07 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1du4 h THR 114 CO -0.11 0.20 -0.30 0.28 0.37 0.00 0.00 175.52 175.97 1du4 h SER 115 N 0.48 0.81 -0.61 4.18 0.02 -0.69 -1.85 113.55 115.88 1du4 h SER 115 Ca 0.13 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1du4 h SER 115 Cb 0.15 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1du4 h SER 115 CO -0.01 1.11 0.38 -1.28 -1.14 0.00 0.00 176.83 175.89 1du4 h SER 116 N 0.53 0.73 -0.04 3.07 0.87 -0.83 -2.03 113.55 115.85 1du4 h SER 116 Ca 0.05 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1du4 h SER 116 Cb 0.87 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1du4 h SER 116 CO 0.07 0.56 0.02 -0.25 -0.53 0.00 0.00 176.83 176.71 1du4 h TRP 117 N 0.83 0.05 -0.81 2.24 2.91 -1.07 -2.69 115.95 117.41 1du4 h TRP 117 Ca 0.22 -0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.39 1du4 h TRP 117 Cb -0.05 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 28.53 1du4 h TRP 117 CO -0.02 0.07 0.53 -0.09 -1.03 0.00 0.00 178.44 177.90 1du4 h ARG 118 N 0.01 0.48 -0.04 2.65 9.65 -1.28 0.16 114.38 126.02 1du4 h ARG 118 Ca 0.01 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1du4 h ARG 118 Cb 0.04 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1du4 h ARG 118 CO -0.00 0.32 -0.08 0.77 2.80 0.00 0.00 179.97 183.77 1du4 h SER 119 N 0.50 0.05 -0.04 -3.80 0.02 -1.01 -2.76 113.55 106.50 1du4 h SER 119 Ca 0.40 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1du4 h SER 119 Cb 0.84 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1du4 h SER 119 CO -0.15 0.14 0.00 1.33 -1.14 0.00 0.00 176.83 177.01 1du4 n VAL 120 N -4.41 0.15 0.21 2.27 0.24 -0.79 -4.71 118.33 111.30 1du4 n VAL 120 Ca -0.02 -0.58 -0.17 0.00 -2.04 0.00 0.00 64.34 61.53 1du4 n VAL 120 Cb 0.18 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.51 1du4 n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1du4 h ALA 121 N 1.45 -1.08 -0.36 2.33 0.00 -0.40 -1.44 119.26 119.75 1du4 h ALA 121 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1du4 h ALA 121 Cb 0.36 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1du4 h ALA 121 CO 0.00 -1.15 0.06 -0.44 0.00 0.00 0.00 179.25 177.72 1du4 h ASP 122 N -0.87 -0.03 0.20 0.00 3.32 -1.86 0.46 116.42 117.64 1du4 h ASP 122 Ca -0.04 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1du4 h ASP 122 Cb 0.80 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 1du4 h ASP 122 CO -0.15 0.02 -0.27 0.74 -1.72 0.00 0.00 179.24 177.87 1du4 h THR 123 N 0.17 0.42 -0.16 0.35 2.02 -1.85 -2.95 112.91 110.90 1du4 h THR 123 Ca 0.17 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1du4 h THR 123 Cb 0.21 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1du4 h THR 123 CO -0.24 0.00 -0.29 -0.07 0.37 0.00 0.00 175.52 175.29 1du4 h LEU 124 N -0.53 0.31 -0.60 2.58 3.38 -1.08 -2.83 115.31 116.54 1du4 h LEU 124 Ca 0.01 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1du4 h LEU 124 Cb 0.52 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1du4 h LEU 124 CO -0.11 0.59 -0.07 0.08 0.09 0.00 0.00 178.44 179.03 1du4 h ARG 125 N 0.27 1.03 -0.38 1.13 0.11 -0.82 -1.24 114.38 114.48 1du4 h ARG 125 Ca 0.04 -0.36 0.03 0.00 0.10 0.00 0.00 59.98 59.79 1du4 h ARG 125 Cb 0.65 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 31.62 1du4 h ARG 125 CO 0.05 1.05 0.18 0.37 0.10 0.00 0.00 179.97 181.72 1du4 h GLN 126 N 0.93 0.37 -0.30 0.08 -0.00 -1.43 -0.08 115.11 114.67 1du4 h GLN 126 Ca 0.15 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.79 1du4 h GLN 126 Cb 0.63 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.01 1du4 h GLN 126 CO 0.04 0.24 0.17 0.87 0.00 0.00 0.00 178.83 180.15 1du4 h LYS 127 N 0.38 0.34 -0.59 1.69 6.56 -1.14 0.53 116.57 124.34 1du4 h LYS 127 Ca 0.16 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1du4 h LYS 127 Cb 0.08 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1du4 h LYS 127 CO -0.12 0.23 0.37 0.28 -2.06 0.00 0.00 179.45 178.15 1du4 h VAL 128 N 0.35 1.17 -0.24 0.50 2.07 -1.03 -2.31 116.25 116.76 1du4 h VAL 128 Ca 0.12 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1du4 h VAL 128 Cb 0.00 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1du4 h VAL 128 CO -0.06 0.17 -0.16 -0.33 0.02 0.00 0.00 177.57 177.21 1du4 h GLU 129 N 0.80 0.41 -0.02 1.57 5.08 0.15 0.21 114.58 122.79 1du4 h GLU 129 Ca 0.21 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1du4 h GLU 129 Cb -0.04 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1du4 h GLU 129 CO -0.04 0.57 0.01 -0.44 -1.00 0.00 0.00 179.01 178.11 1du4 h ASP 130 N 0.38 0.03 -0.79 1.42 3.32 0.44 -1.73 116.42 119.49 1du4 h ASP 130 Ca 0.07 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1du4 h ASP 130 Cb 0.51 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 1du4 h ASP 130 CO 0.03 0.17 0.34 0.00 -1.72 0.00 0.00 179.24 178.06 1du4 h ALA 131 N 0.86 1.02 -0.52 3.45 0.00 -1.21 -0.76 119.26 122.10 1du4 h ALA 131 Ca 0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1du4 h ALA 131 Cb 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1du4 h ALA 131 CO -0.00 0.62 0.25 0.28 0.00 0.00 0.00 179.25 180.40 1du4 h VAL 132 N 1.13 0.93 0.00 0.00 2.07 -0.77 0.45 116.25 120.06 1du4 h VAL 132 Ca 0.27 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 1du4 h VAL 132 Cb 0.17 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1du4 h VAL 132 CO -0.03 0.09 -0.50 0.08 0.02 0.00 0.00 177.57 177.23 1du4 h ARG 133 N 0.49 0.00 -0.19 1.57 0.11 -0.54 -1.75 114.38 114.07 1du4 h ARG 133 Ca 0.23 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.10 1du4 h ARG 133 Cb 0.16 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.25 1du4 h ARG 133 CO -0.18 0.50 -0.72 1.49 0.10 0.00 0.00 179.97 181.17 1du4 h GLU 134 N 0.00 0.81 -2.16 0.08 4.57 -0.49 -3.38 114.58 114.01 1du4 h GLU 134 Ca -0.01 -0.62 -0.58 0.00 -1.18 0.00 0.00 59.36 56.97 1du4 h GLU 134 Cb 0.98 0.12 -0.40 0.00 -0.16 0.00 0.00 28.75 29.28 1du4 h GLU 134 CO 0.07 1.24 -0.85 0.72 -1.18 0.00 0.00 179.01 179.00 1du4 n HIS 135 N -3.95 1.55 0.28 0.92 8.25 0.15 -5.00 115.22 117.42 1du4 n HIS 135 Ca -0.07 -3.85 0.17 0.00 -0.26 0.00 0.00 57.72 53.72 1du4 n HIS 135 Cb 0.72 -0.42 0.90 0.00 1.12 0.00 0.00 29.99 32.30 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 4.23 0.00 -0.02 -0.41 0.13 -1.52 -2.16 132.00 132.25 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 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1du4 h PRO 136 CO 0.63 0.00 -0.07 -0.40 -0.23 0.00 0.00 178.00 177.93 1du4 n ASP 137 N -2.73 2.65 -4.81 1.44 5.75 -1.26 -4.97 116.55 112.61 1du4 n ASP 137 Ca -0.02 -1.82 -0.35 0.00 -0.01 0.00 0.00 54.79 52.59 1du4 n ASP 137 Cb 0.10 0.08 -0.06 0.00 -1.03 0.00 0.00 41.12 40.20 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 -1.87 3.58 0.01 2.11 1.51 -0.81 -5.01 117.35 116.86 1du4 s TYR 138 Ca 0.24 1.48 -0.13 0.00 -1.01 0.00 0.00 57.07 57.65 1du4 s TYR 138 Cb 0.18 -2.71 -0.06 0.00 -0.11 0.00 0.00 41.96 39.26 1du4 s TYR 138 CO 0.31 0.22 0.39 -0.98 -1.11 0.00 0.00 175.55 174.38 1du4 s ARG 139 N -2.29 3.85 -0.13 -0.62 1.70 -0.82 -4.82 118.95 115.82 1du4 s ARG 139 Ca 0.49 0.33 -0.25 0.00 -0.47 0.00 0.00 55.73 55.82 1du4 s ARG 139 Cb -0.15 -3.17 -0.02 0.00 -0.57 0.00 0.00 34.95 31.04 1du4 s ARG 139 CO 0.20 0.67 0.82 0.08 -1.08 0.00 0.00 175.30 175.99 1du4 s VAL 140 N -1.15 4.91 -0.09 4.99 1.01 -1.25 -1.82 120.40 127.01 1du4 s VAL 140 Ca 0.25 1.64 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1du4 s VAL 140 Cb -0.16 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1du4 s VAL 140 CO 0.14 0.09 -0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1du4 s VAL 141 N 1.75 1.21 -0.11 2.92 1.01 -0.70 -2.02 120.40 124.46 1du4 s VAL 141 Ca 0.40 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1du4 s VAL 141 Cb -0.17 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1du4 s VAL 141 CO 0.15 0.38 0.20 -0.36 0.00 0.00 0.00 175.10 175.47 1du4 s PHE 142 N 1.02 3.59 0.07 5.22 0.40 0.26 -1.48 117.98 127.06 1du4 s PHE 142 Ca -0.07 0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 56.77 1du4 s PHE 142 Cb -0.15 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 1du4 s PHE 142 CO -0.01 0.63 0.16 -0.08 0.70 0.00 0.00 175.22 176.62 1du4 s THR 143 N -0.74 0.14 0.00 0.64 -1.32 0.25 -1.03 115.64 113.58 1du4 s THR 143 Ca 0.16 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 1du4 s THR 143 Cb -0.13 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1du4 s THR 143 CO 0.05 -0.65 0.00 0.61 -2.21 0.00 0.00 174.62 172.42 1du4 n GLY 144 N 0.21 0.80 3.26 6.08 0.00 -0.81 -0.28 105.19 114.46 1du4 n GLY 144 Ca -0.16 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 2.09 0.00 1.61 2.46 -1.25 -1.68 115.29 116.52 1du4 s HIS 145 Ca 0.00 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1du4 s HIS 145 Cb 0.00 -1.34 0.00 0.00 -0.13 0.00 0.00 32.58 31.11 1du4 s HIS 145 CO 0.00 -0.03 0.00 0.45 -2.47 0.00 0.00 174.74 172.69 1du4 n SER 146 N 2.50 0.00 -0.31 9.88 2.88 0.29 -1.14 113.62 127.72 1du4 n SER 146 Ca -0.16 0.00 0.26 0.00 -1.33 0.00 0.00 58.87 57.64 1du4 n SER 146 Cb 0.52 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.55 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 0.32 -1.49 2.46 5.85 -1.87 0.32 115.31 120.90 1du4 h LEU 147 Ca 0.00 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1du4 h LEU 147 Cb 0.00 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1du4 h LEU 147 CO 0.00 0.06 -0.26 1.23 -0.34 0.00 0.00 178.44 179.13 1du4 h GLY 148 N 0.28 0.00 1.83 3.75 0.00 -1.14 -1.29 103.07 106.49 1du4 h GLY 148 Ca 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.74 1du4 h GLY 148 CO -0.21 0.00 -0.70 -1.33 0.00 0.00 0.00 176.54 174.30 1du4 h GLY 149 N 0.95 0.19 0.78 4.60 0.00 -0.79 -1.85 103.07 106.94 1du4 h GLY 149 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1du4 h GLY 149 CO 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 176.54 176.77 1du4 h ALA 150 N 1.16 -0.11 -0.38 3.60 0.00 -1.15 -1.80 119.26 120.58 1du4 h ALA 150 Ca -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1du4 h ALA 150 Cb 1.24 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1du4 h ALA 150 CO 0.10 -0.45 0.20 -0.07 0.00 0.00 0.00 179.25 179.04 1du4 h LEU 151 N -0.33 0.31 0.04 0.00 3.38 -1.27 -1.40 115.31 116.04 1du4 h LEU 151 Ca -0.01 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1du4 h LEU 151 Cb 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1du4 h LEU 151 CO 0.02 0.22 -0.05 0.00 0.09 0.00 0.00 178.44 178.72 1du4 h ALA 152 N 1.19 -0.09 0.14 1.53 0.00 -1.35 0.52 119.26 121.20 1du4 h ALA 152 Ca 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1du4 h ALA 152 Cb 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1du4 h ALA 152 CO -0.09 -0.56 -0.24 1.15 0.00 0.00 0.00 179.25 179.51 1du4 h THR 153 N -0.11 0.48 -0.69 0.00 2.02 -0.96 -0.89 112.91 112.75 1du4 h THR 153 Ca 0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.26 1du4 h THR 153 Cb 0.12 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1du4 h THR 153 CO -0.03 0.00 0.38 0.58 0.37 0.00 0.00 175.52 176.82 1du4 h VAL 154 N -0.45 0.95 -0.61 3.16 2.07 -1.23 -0.84 116.25 119.30 1du4 h VAL 154 Ca 0.02 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1du4 h VAL 154 Cb 0.46 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1du4 h VAL 154 CO -0.12 0.13 0.06 0.00 0.02 0.00 0.00 177.57 177.66 1du4 h ALA 155 N 1.37 0.95 -0.48 1.67 0.00 -0.78 -2.29 119.26 119.71 1du4 h ALA 155 Ca 0.32 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1du4 h ALA 155 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1du4 h ALA 155 CO -0.20 0.65 -0.18 0.78 0.00 0.00 0.00 179.25 180.29 1du4 h GLY 156 N 1.02 1.05 0.47 0.00 0.00 -0.53 -1.61 103.07 103.48 1du4 h GLY 156 Ca 0.18 -0.91 0.11 0.00 0.00 0.00 0.00 47.33 46.71 1du4 h GLY 156 CO 0.02 0.83 0.54 0.00 0.00 0.00 0.00 176.54 177.93 1du4 h ALA 157 N 0.87 1.33 -0.06 3.60 0.00 -0.81 -0.43 119.26 123.76 1du4 h ALA 157 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1du4 h ALA 157 Cb 0.76 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1du4 h ALA 157 CO 0.06 0.14 -0.49 0.22 0.00 0.00 0.00 179.25 179.18 1du4 h ASP 158 N 0.86 0.53 0.49 0.00 3.58 -1.41 -3.35 116.42 117.13 1du4 h ASP 158 Ca 0.45 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1du4 h ASP 158 Cb 0.45 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1du4 h ASP 158 CO -0.27 1.14 -0.45 0.18 -2.88 0.00 0.00 179.24 176.96 1du4 n LEU 159 N -4.28 0.53 -4.63 2.28 4.77 -0.61 -4.89 117.00 110.18 1du4 n LEU 159 Ca -0.09 -0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 55.59 1du4 n LEU 159 Cb 0.60 -0.25 0.19 0.00 -2.33 0.00 0.00 43.42 41.63 1du4 n LEU 159 CO 0.45 0.13 0.62 -0.13 -1.33 0.00 0.00 177.39 177.12 1du4 s ARG 160 N -2.94 0.37 0.00 3.23 0.52 -0.20 -3.91 118.95 116.02 1du4 s ARG 160 Ca 0.13 0.90 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 1du4 s ARG 160 Cb 0.18 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.95 1du4 s ARG 160 CO 0.67 -2.87 0.00 0.41 0.02 0.00 0.00 175.30 173.53 1du4 n GLY 161 N -0.27 0.74 2.04 -3.53 0.00 -1.26 -4.98 105.19 97.93 1du4 n GLY 161 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 5.55 0.00 1.61 5.03 -1.25 -4.92 115.26 121.28 1du4 n ASN 162 Ca 0.00 -3.77 0.00 0.00 0.87 0.00 0.00 54.58 51.68 1du4 n ASN 162 Cb 0.00 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 38.20 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 -0.81 3.08 3.08 7.41 0.00 -1.26 -5.03 105.19 111.66 1du4 n GLY 163 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.78 1.42 0.46 1.61 1.13 -1.26 -5.13 117.35 112.80 1du4 s TYR 164 Ca 0.00 -0.40 -0.23 0.00 -1.41 0.00 0.00 57.07 55.03 1du4 s TYR 164 Cb 0.00 -0.98 -0.07 0.00 -1.10 0.00 0.00 41.96 39.81 1du4 s TYR 164 CO 0.00 -0.15 1.16 -0.51 -2.51 0.00 0.00 175.55 173.54 1du4 s ASP 165 N 0.12 6.18 -0.21 -0.18 1.11 -1.26 -4.56 116.67 117.87 1du4 s ASP 165 Ca -0.04 2.28 -0.02 0.00 0.18 0.00 0.00 52.55 54.96 1du4 s ASP 165 Cb -0.11 -2.60 0.06 0.00 1.07 0.00 0.00 42.92 41.34 1du4 s ASP 165 CO 0.02 -0.91 0.01 -0.63 1.18 0.00 0.00 175.17 174.84 1du4 s ILE 166 N -1.56 0.80 0.03 0.77 1.01 -0.42 -3.79 121.20 118.03 1du4 s ILE 166 Ca 0.64 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1du4 s ILE 166 Cb -0.28 -1.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 1du4 s ILE 166 CO 0.34 -0.20 0.46 -1.81 0.00 0.00 0.00 174.94 173.73 1du4 s ASP 167 N 1.73 6.88 -0.12 3.58 1.01 -0.86 -3.83 116.67 125.07 1du4 s ASP 167 Ca -0.02 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.30 1du4 s ASP 167 Cb -0.18 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 1du4 s ASP 167 CO -0.08 0.30 -0.13 -0.69 0.21 0.00 0.00 175.17 174.78 1du4 s VAL 168 N -1.10 3.07 -0.29 -1.27 1.01 -0.56 0.90 120.40 122.16 1du4 s VAL 168 Ca 0.26 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1du4 s VAL 168 Cb -0.17 -2.28 0.08 0.00 0.00 0.00 0.00 36.38 34.00 1du4 s VAL 168 CO 0.15 0.53 -0.04 -0.36 0.00 0.00 0.00 175.10 175.38 1du4 s PHE 169 N 0.20 3.39 0.02 5.22 0.40 -0.20 0.15 117.98 127.16 1du4 s PHE 169 Ca -0.08 -2.54 0.07 0.00 -0.60 0.00 0.00 56.93 53.77 1du4 s PHE 169 Cb -0.15 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1du4 s PHE 169 CO 0.05 -0.90 -0.19 -1.54 0.70 0.00 0.00 175.22 173.34 1du4 s SER 170 N 1.05 3.74 -0.29 1.36 1.04 -0.72 -1.92 113.70 117.96 1du4 s SER 170 Ca -0.01 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1du4 s SER 170 Cb -0.20 -0.61 0.09 0.00 0.10 0.00 0.00 66.02 65.40 1du4 s SER 170 CO -0.06 0.28 0.04 -0.31 0.98 0.00 0.00 173.24 174.16 1du4 s TYR 171 N -0.86 2.40 -0.37 5.02 1.51 -0.68 -0.91 117.35 123.47 1du4 s TYR 171 Ca 0.14 -2.02 -0.00 0.00 -1.01 0.00 0.00 57.07 54.17 1du4 s TYR 171 Cb -0.10 -1.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1du4 s TYR 171 CO 0.04 -0.85 0.02 0.41 -1.11 0.00 0.00 175.55 174.05 1du4 n GLY 172 N 4.65 0.22 3.77 0.71 0.00 -0.84 -0.55 105.19 113.15 1du4 n GLY 172 Ca -0.04 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.27 3.25 0.67 4.61 0.00 -1.26 -3.97 121.76 122.78 1du4 s ALA 173 Ca 0.01 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1du4 s ALA 173 Cb -0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1du4 s ALA 173 CO 0.01 -0.10 1.07 -1.25 0.00 0.00 0.00 175.76 175.49 1du4 s PRO 174 N -1.90 3.19 0.49 0.00 0.04 -1.26 -3.44 135.00 132.13 1du4 s PRO 174 Ca 0.50 0.60 -0.24 0.00 0.04 0.00 0.00 61.00 61.90 1du4 s PRO 174 Cb -0.26 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1du4 s PRO 174 CO 0.33 -0.83 1.38 0.54 0.04 0.00 0.00 177.00 178.46 1du4 n ARG 175 N -2.89 1.96 0.00 4.56 1.74 -0.36 -4.82 116.66 116.84 1du4 n ARG 175 Ca 0.06 0.71 0.05 0.00 -0.77 0.00 0.00 57.85 57.90 1du4 n ARG 175 Cb 0.56 -2.58 0.02 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 -0.59 0.00 -2.57 1.55 3.14 -1.26 -4.41 118.33 114.18 1du4 n VAL 176 Ca 0.08 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1du4 n VAL 176 Cb 0.43 1.16 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 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 0.78 -0.58 1.73 7.55 0.00 -1.26 -1.49 105.19 111.91 1du4 n GLY 177 Ca 0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.28 -0.11 1.61 6.94 0.12 -1.21 115.26 122.89 1du4 n ASN 178 Ca 0.00 -1.34 -0.10 0.00 -0.02 0.00 0.00 54.58 53.12 1du4 n ASN 178 Cb 0.00 -0.38 -0.02 0.00 -2.36 0.00 0.00 39.78 37.02 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 0.53 -0.48 -3.83 9.65 -1.89 -2.09 114.38 116.27 1du4 h ARG 179 Ca -0.17 -0.11 0.09 0.00 -1.10 0.00 0.00 59.98 58.69 1du4 h ARG 179 Cb 0.54 -0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 28.96 1du4 h ARG 179 CO 0.15 0.55 -0.00 0.00 2.80 0.00 0.00 179.97 183.47 1du4 h ALA 180 N 0.95 0.45 -0.41 2.80 0.00 -1.94 0.16 119.26 121.28 1du4 h ALA 180 Ca 0.11 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1du4 h ALA 180 Cb 0.24 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1du4 h ALA 180 CO -0.00 -0.39 0.05 0.35 0.00 0.00 0.00 179.25 179.26 1du4 h PHE 181 N 0.11 0.64 -0.56 0.00 3.57 -1.81 -1.52 116.94 117.36 1du4 h PHE 181 Ca 0.24 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1du4 h PHE 181 Cb 0.36 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1du4 h PHE 181 CO -0.31 0.59 0.21 0.00 -2.23 0.00 0.00 178.31 176.57 1du4 h ALA 182 N 1.46 0.73 -0.29 2.41 0.00 -0.21 -1.15 119.26 122.22 1du4 h ALA 182 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1du4 h ALA 182 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1du4 h ALA 182 CO 0.00 0.36 0.17 0.93 0.00 0.00 0.00 179.25 180.72 1du4 h GLU 183 N 0.78 0.34 -0.78 0.00 5.08 -0.55 -1.61 114.58 117.83 1du4 h GLU 183 Ca 0.19 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1du4 h GLU 183 Cb 0.22 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 1du4 h GLU 183 CO -0.01 0.23 0.48 0.35 -1.00 0.00 0.00 179.01 179.05 1du4 h PHE 184 N 0.35 0.89 0.00 4.33 3.57 -0.96 0.15 116.94 125.27 1du4 h PHE 184 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1du4 h PHE 184 Cb -0.01 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 1du4 h PHE 184 CO -0.07 0.47 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.34 1du4 h LEU 185 N 0.90 0.00 -0.07 0.59 3.38 -0.67 -2.45 115.31 116.99 1du4 h LEU 185 Ca 0.33 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.08 1du4 h LEU 185 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1du4 h LEU 185 CO -0.15 0.06 -1.01 0.74 0.09 0.00 0.00 178.44 178.16 1du4 h THR 186 N 0.00 1.59 0.00 0.22 2.02 0.22 -3.41 112.91 113.55 1du4 h THR 186 Ca -0.00 -3.06 0.00 0.00 0.77 0.00 0.00 66.41 64.12 1du4 h THR 186 Cb 0.67 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1du4 h THR 186 CO 0.01 0.88 -0.12 0.55 0.37 0.00 0.00 175.52 177.21 1du4 n VAL 187 N -3.50 1.18 -2.84 3.16 3.14 -0.83 -4.89 118.33 113.75 1du4 n VAL 187 Ca -0.03 -1.39 -0.41 0.00 -2.96 0.00 0.00 64.34 59.55 1du4 n VAL 187 Cb 0.91 0.13 -0.05 0.00 -1.06 0.00 0.00 33.84 33.77 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 -1.73 4.59 0.63 1.45 0.74 -0.93 -5.05 119.66 119.37 1du4 s GLN 188 Ca 0.18 1.27 -0.00 0.00 0.05 0.00 0.00 55.36 56.86 1du4 s GLN 188 Cb 0.15 -3.38 0.07 0.00 1.10 0.00 0.00 33.01 30.95 1du4 s GLN 188 CO 0.02 0.21 0.88 0.95 -0.55 0.00 0.00 175.29 176.79 1du4 s THR 189 N 0.10 2.44 0.00 -0.34 -4.23 -1.26 -4.46 115.64 107.89 1du4 s THR 189 Ca 0.44 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1du4 s THR 189 Cb -0.22 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1du4 s THR 189 CO 0.26 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1du4 n GLY 190 N -2.58 0.84 0.00 3.99 0.00 -1.26 -4.71 105.19 101.47 1du4 n GLY 190 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.63 4.17 3.81 -0.02 0.00 -1.26 -1.30 105.19 109.96 1du4 n GLY 191 Ca 0.00 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.16 5.00 -0.30 2.61 2.01 -1.25 -4.89 115.64 116.66 1du4 s THR 192 Ca 0.00 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 1du4 s THR 192 Cb 0.00 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1du4 s THR 192 CO 0.00 0.48 0.33 -0.22 -0.69 0.00 0.00 174.62 174.52 1du4 s LEU 193 N -1.39 4.21 -0.46 4.42 2.96 -1.26 -1.49 118.68 125.67 1du4 s LEU 193 Ca 0.19 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.03 1du4 s LEU 193 Cb -0.12 -2.33 0.12 0.00 0.50 0.00 0.00 46.19 44.36 1du4 s LEU 193 CO 0.09 -0.22 0.31 -0.31 -1.32 0.00 0.00 176.35 174.90 1du4 s TYR 194 N 1.99 3.46 -0.48 5.38 2.02 0.38 -4.82 117.35 125.27 1du4 s TYR 194 Ca 0.12 -1.97 -0.19 0.00 -0.37 0.00 0.00 57.07 54.66 1du4 s TYR 194 Cb -0.16 -3.41 0.05 0.00 -0.40 0.00 0.00 41.96 38.03 1du4 s TYR 194 CO 0.11 -0.98 0.61 0.50 -1.57 0.00 0.00 175.55 174.22 1du4 s ARG 195 N 1.32 3.16 -0.16 -0.62 3.52 -1.26 -1.76 118.95 123.14 1du4 s ARG 195 Ca 0.06 -0.75 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 1du4 s ARG 195 Cb -0.25 -4.05 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 1du4 s ARG 195 CO -0.01 -1.14 0.07 0.42 -0.81 0.00 0.00 175.30 173.83 1du4 s ILE 196 N 2.65 4.89 0.27 4.11 1.01 -0.08 -1.19 121.20 132.86 1du4 s ILE 196 Ca 0.17 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.86 1du4 s ILE 196 Cb -0.18 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 1du4 s ILE 196 CO 0.14 0.50 -0.01 0.42 0.00 0.00 0.00 174.94 175.99 1du4 s THR 197 N 0.01 1.26 -0.06 2.92 -4.23 0.05 -1.99 115.64 113.61 1du4 s THR 197 Ca 0.06 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1du4 s THR 197 Cb -0.12 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1du4 s THR 197 CO 0.01 -0.24 -0.01 -2.28 -0.54 0.00 0.00 174.62 171.56 1du4 s HIS 198 N -3.26 0.67 0.00 3.99 2.46 -1.26 -0.75 115.29 117.13 1du4 s HIS 198 Ca 0.31 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 55.66 1du4 s HIS 198 Cb 0.06 -0.73 0.00 0.00 -0.13 0.00 0.00 32.58 31.78 1du4 s HIS 198 CO 0.11 -0.27 0.00 0.25 -2.47 0.00 0.00 174.74 172.36 1du4 n THR 199 N 4.71 0.00 -1.76 0.89 -2.24 -0.38 -1.15 114.28 114.36 1du4 n THR 199 Ca -0.15 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.49 1du4 n THR 199 Cb 0.50 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.84 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 2.88 3.99 -4.66 3.42 6.94 -1.26 -4.35 115.26 122.21 1du4 n ASN 200 Ca 0.00 -3.80 -0.45 0.00 -0.02 0.00 0.00 54.58 50.31 1du4 n ASN 200 Cb 0.00 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 36.89 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 -0.90 2.68 0.16 0.53 2.03 -0.30 -1.62 116.55 119.12 1du4 n ASP 201 Ca 0.38 1.14 0.03 0.00 0.52 0.00 0.00 54.79 56.86 1du4 n ASP 201 Cb 0.89 -1.41 0.16 0.00 -0.72 0.00 0.00 41.12 40.04 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 3.09 0.96 -0.54 5.18 2.10 -1.83 -3.38 117.51 123.08 1du4 h ILE 202 Ca -0.45 -2.00 -0.03 0.00 1.08 0.00 0.00 64.86 63.46 1du4 h ILE 202 Cb 1.28 2.23 -0.02 0.00 -1.09 0.00 0.00 36.82 39.21 1du4 h ILE 202 CO 0.77 0.48 0.23 0.58 -1.08 0.00 0.00 178.15 179.13 1du4 h VAL 203 N 0.00 1.21 0.00 2.19 2.07 -1.86 -1.18 116.25 118.68 1du4 h VAL 203 Ca -0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1du4 h VAL 203 Cb 1.19 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1du4 h VAL 203 CO 0.06 0.25 0.00 -2.65 0.02 0.00 0.00 177.57 175.25 1du4 n PRO 204 N -4.53 0.29 -0.06 1.57 -0.02 -1.22 -1.28 135.00 129.74 1du4 n PRO 204 Ca 0.02 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1du4 n PRO 204 Cb 0.15 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.37 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 -1.19 2.18 -4.21 -0.52 3.00 -0.45 -4.58 116.66 110.90 1du4 n ARG 205 Ca 0.08 -1.74 -0.20 0.00 -0.01 0.00 0.00 57.85 55.99 1du4 n ARG 205 Cb 0.09 -1.47 -0.12 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.81 2.29 1.11 0.55 1.43 -0.40 -3.94 118.68 117.90 1du4 s LEU 206 Ca 0.33 -0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1du4 s LEU 206 Cb 0.21 -0.63 0.25 0.00 0.03 0.00 0.00 46.19 46.05 1du4 s LEU 206 CO 0.31 -0.04 1.05 -2.84 0.23 0.00 0.00 176.35 175.06 1du4 s PRO 207 N -1.80 -0.46 0.73 1.29 0.02 -1.26 -1.23 135.00 132.28 1du4 s PRO 207 Ca 0.01 0.72 -0.15 0.00 0.02 0.00 0.00 61.00 61.60 1du4 s PRO 207 Cb -0.10 -1.62 0.04 0.00 0.02 0.00 0.00 34.50 32.84 1du4 s PRO 207 CO 0.03 -3.39 1.18 -2.14 -0.33 0.00 0.00 177.00 172.36 1du4 s PRO 208 N -4.64 2.20 0.29 5.54 0.02 -1.25 -4.75 135.00 132.40 1du4 s PRO 208 Ca 0.67 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1du4 s PRO 208 Cb -0.23 -1.85 0.53 0.00 0.02 0.00 0.00 34.50 32.97 1du4 s PRO 208 CO 0.62 -1.77 1.88 0.00 -0.33 0.00 0.00 177.00 177.40 1du4 h ARG 209 N -0.34 1.01 0.00 5.54 2.47 -1.84 -1.89 114.38 119.33 1du4 h ARG 209 Ca -0.47 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1du4 h ARG 209 Cb 1.28 -0.23 -0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1du4 h ARG 209 CO 0.50 0.67 -0.01 0.93 0.56 0.00 0.00 179.97 182.62 1du4 h GLU 210 N 1.04 0.00 -0.20 0.04 3.07 -1.91 -0.75 114.58 115.86 1du4 h GLU 210 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1du4 h GLU 210 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1du4 h GLU 210 CO -0.19 0.01 0.00 1.19 -1.40 0.00 0.00 179.01 178.61 1du4 n PHE 211 N -4.02 0.16 -0.81 4.33 0.99 -0.71 -4.85 117.46 112.55 1du4 n PHE 211 Ca -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 1du4 n PHE 211 Cb 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 38.55 1du4 n PHE 211 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1du4 n GLY 212 N 0.60 0.99 3.99 1.37 0.00 -0.32 -4.97 105.19 106.84 1du4 n GLY 212 Ca 0.03 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 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 3.03 0.03 1.61 1.51 -1.00 -4.36 117.35 116.17 1du4 s TYR 213 Ca 0.00 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1du4 s TYR 213 Cb 0.00 -2.18 -0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1du4 s TYR 213 CO 0.00 -0.21 0.14 -1.12 -1.11 0.00 0.00 175.55 173.25 1du4 s SER 214 N -4.24 0.09 -0.10 2.29 0.01 -0.35 -4.43 113.70 106.97 1du4 s SER 214 Ca 0.49 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 1du4 s SER 214 Cb -0.10 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1du4 s SER 214 CO 0.33 -0.48 0.21 -1.00 0.41 0.00 0.00 173.24 172.70 1du4 s HIS 215 N -2.22 3.62 1.14 2.43 3.76 -1.26 -4.43 115.29 118.33 1du4 s HIS 215 Ca -0.08 0.63 -0.13 0.00 -0.15 0.00 0.00 55.06 55.33 1du4 s HIS 215 Cb -0.03 -2.05 0.27 0.00 1.11 0.00 0.00 32.58 31.88 1du4 s HIS 215 CO -0.02 0.68 1.04 -1.54 -0.85 0.00 0.00 174.74 174.05 1du4 s SER 216 N -0.93 1.30 0.02 1.40 1.04 -1.26 -3.31 113.70 111.97 1du4 s SER 216 Ca 0.17 1.33 0.05 0.00 0.48 0.00 0.00 55.95 57.98 1du4 s SER 216 Cb -0.13 -2.07 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1du4 s SER 216 CO 0.06 -3.97 -0.15 -0.55 0.98 0.00 0.00 173.24 169.60 1du4 s SER 217 N -2.86 1.79 0.27 7.02 0.15 -1.26 -4.64 113.70 114.17 1du4 s SER 217 Ca 0.68 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1du4 s SER 217 Cb -0.22 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1du4 s SER 217 CO 0.62 0.10 0.00 -0.81 1.20 0.00 0.00 173.24 174.35 1du4 n PRO 218 N 2.17 1.08 -4.74 5.44 -0.04 -1.26 -4.38 135.00 133.27 1du4 n PRO 218 Ca -0.17 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 1du4 n PRO 218 Cb 0.55 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.84 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 -1.19 1.94 -0.71 0.54 2.12 0.89 -4.42 118.70 117.88 1du4 s GLU 219 Ca 0.00 -0.53 -0.14 0.00 0.36 0.00 0.00 54.97 54.66 1du4 s GLU 219 Cb 0.00 -1.58 0.18 0.00 0.26 0.00 0.00 34.13 32.99 1du4 s GLU 219 CO 0.00 0.10 0.66 0.71 -0.54 0.00 0.00 175.26 176.18 1du4 s TYR 220 N 0.48 3.57 -0.27 5.30 2.02 -0.33 -0.32 117.35 127.79 1du4 s TYR 220 Ca -0.13 -1.76 -0.19 0.00 -0.37 0.00 0.00 57.07 54.62 1du4 s TYR 220 Cb -0.15 -3.79 -0.02 0.00 -0.40 0.00 0.00 41.96 37.60 1du4 s TYR 220 CO 0.04 -1.00 0.56 -0.46 -1.57 0.00 0.00 175.55 173.12 1du4 s TRP 221 N 0.69 3.26 -0.56 2.71 -0.00 0.08 -0.77 118.94 124.35 1du4 s TRP 221 Ca 0.12 0.64 -0.28 0.00 -0.00 0.00 0.00 56.10 56.58 1du4 s TRP 221 Cb -0.18 -2.80 0.03 0.00 -0.00 0.00 0.00 33.47 30.52 1du4 s TRP 221 CO -0.04 -0.34 1.20 0.42 -0.00 0.00 0.00 176.95 178.18 1du4 s ILE 222 N 2.40 4.03 -0.04 5.86 1.01 0.07 -1.11 121.20 133.43 1du4 s ILE 222 Ca 0.23 0.95 0.14 0.00 0.00 0.00 0.00 60.65 61.96 1du4 s ILE 222 Cb -0.15 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.63 1du4 s ILE 222 CO 0.10 -1.28 1.46 0.11 0.00 0.00 0.00 174.94 175.32 1du4 h LYS 223 N 9.56 0.00 -7.06 2.79 1.57 -1.02 -0.99 116.57 121.42 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 1.06 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.50 1du4 h LYS 223 CO 1.18 0.60 0.56 -1.54 -0.57 0.00 0.00 179.45 179.68 1du4 s SER 224 N -6.52 5.24 0.54 0.86 1.04 -1.25 -4.85 113.70 108.76 1du4 s SER 224 Ca 0.03 2.65 -0.18 0.00 0.48 0.00 0.00 55.95 58.93 1du4 s SER 224 Cb 0.09 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1du4 s SER 224 CO 0.75 -1.58 1.04 -0.83 0.98 0.00 0.00 173.24 173.61 1du4 s GLY 225 N -1.14 2.29 0.24 7.32 0.00 -1.26 -4.72 107.32 110.04 1du4 s GLY 225 Ca 0.73 0.47 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 1du4 s GLY 225 CO 0.43 0.78 0.89 2.41 0.00 0.00 0.00 173.10 177.62 1du4 n THR 226 N -1.54 1.77 -1.00 0.90 -1.04 -1.26 -1.23 114.28 110.88 1du4 n THR 226 Ca 0.09 -0.44 -0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1du4 n THR 226 Cb 0.53 -0.65 -0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1du4 n THR 226 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1du4 n LEU 227 N 1.58 0.81 -4.66 -4.42 4.77 -1.26 -4.99 117.00 108.84 1du4 n LEU 227 Ca 0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 1du4 n LEU 227 Cb 0.28 -2.13 -0.10 0.00 -2.33 0.00 0.00 43.42 39.14 1du4 n LEU 227 CO 0.59 -0.82 -0.29 -0.69 -1.33 0.00 0.00 177.39 174.85 1du4 s VAL 228 N -1.19 4.46 0.39 4.08 1.01 -0.37 -5.08 120.40 123.71 1du4 s VAL 228 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 1du4 s VAL 228 Cb 0.00 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 1du4 s VAL 228 CO 0.00 0.55 1.40 -2.84 0.00 0.00 0.00 175.10 174.22 1du4 s PRO 229 N -0.40 4.02 0.20 2.72 0.02 -1.26 -4.75 135.00 135.55 1du4 s PRO 229 Ca 0.08 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 1du4 s PRO 229 Cb -0.12 -2.87 -0.08 0.00 0.02 0.00 0.00 34.50 31.46 1du4 s PRO 229 CO 0.02 -0.54 0.65 0.08 -0.33 0.00 0.00 177.00 176.88 1du4 s VAL 230 N -1.17 4.71 0.50 3.83 1.01 -1.26 -4.95 120.40 123.07 1du4 s VAL 230 Ca 0.55 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.60 1du4 s VAL 230 Cb -0.43 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1du4 s VAL 230 CO 0.57 0.18 0.10 0.42 0.00 0.00 0.00 175.10 176.37 1du4 s THR 231 N -1.55 1.41 -0.03 3.92 -4.23 -1.26 -5.04 115.64 108.87 1du4 s THR 231 Ca 0.42 -1.88 0.31 0.00 -1.18 0.00 0.00 61.69 59.37 1du4 s THR 231 Cb -0.15 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.76 1du4 s THR 231 CO 0.20 0.00 1.92 0.08 -0.54 0.00 0.00 174.62 176.28 1du4 h ARG 232 N 1.27 0.00 -0.00 3.99 0.11 -1.94 -2.31 114.38 115.51 1du4 h ARG 232 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1du4 h ARG 232 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1du4 h ARG 232 CO 0.71 0.00 -0.17 0.09 0.10 0.00 0.00 179.97 180.70 1du4 n ASN 233 N -2.94 0.37 -0.86 0.08 4.13 -1.26 -2.48 115.26 112.30 1du4 n ASN 233 Ca 0.01 -0.25 0.12 0.00 1.68 0.00 0.00 54.58 56.15 1du4 n ASN 233 Cb 0.31 -0.10 0.23 0.00 -1.54 0.00 0.00 39.78 38.68 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 -1.20 2.66 -4.26 6.41 8.00 -0.87 -4.49 116.55 122.80 1du4 n ASP 234 Ca 0.11 -1.87 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 1du4 n ASP 234 Cb 0.31 -0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.91 3.19 -0.12 0.53 1.01 -1.22 -0.34 121.20 122.34 1du4 s ILE 235 Ca 0.32 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 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 0.31 0.27 0.02 -0.69 0.00 0.00 0.00 174.94 174.85 1du4 s VAL 236 N 1.41 4.48 -0.34 2.92 1.01 -0.27 -3.53 120.40 126.08 1du4 s VAL 236 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1du4 s VAL 236 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1du4 s VAL 236 CO -0.03 0.56 0.49 -0.75 0.00 0.00 0.00 175.10 175.37 1du4 s LYS 237 N -0.42 3.67 -0.21 2.72 2.20 -1.26 -0.74 119.74 125.70 1du4 s LYS 237 Ca 0.08 -0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 55.52 1du4 s LYS 237 Cb -0.12 -3.79 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1du4 s LYS 237 CO 0.02 -0.59 -0.05 0.42 -0.36 0.00 0.00 175.35 174.79 1du4 s ILE 238 N 2.34 3.42 0.17 5.43 1.01 0.56 -4.98 121.20 129.16 1du4 s ILE 238 Ca 0.18 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.39 1du4 s ILE 238 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1du4 s ILE 238 CO 0.13 0.44 0.20 -1.61 0.00 0.00 0.00 174.94 174.09 1du4 s GLU 239 N 1.26 3.09 0.00 2.79 2.02 -1.26 -0.07 118.70 126.52 1du4 s GLU 239 Ca 0.03 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1du4 s GLU 239 Cb -0.14 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1du4 s GLU 239 CO -0.02 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.16 1du4 n GLY 240 N -0.56 2.93 3.68 -1.39 0.00 -1.26 -4.79 105.19 103.80 1du4 n GLY 240 Ca -0.08 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.03 2.73 -1.12 -0.61 1.01 -1.26 -2.25 121.20 119.66 1du4 s ILE 241 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1du4 s ILE 241 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1du4 s ILE 241 CO 0.00 -0.00 0.00 0.47 0.00 0.00 0.00 174.94 175.41 1du4 n ASP 242 N 6.42 -4.10 -4.64 3.58 8.00 -1.21 -4.96 116.55 119.65 1du4 n ASP 242 Ca 0.19 -0.01 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 1du4 n ASP 242 Cb 0.39 -3.28 0.04 0.00 -0.02 0.00 0.00 41.12 38.25 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 -1.60 0.45 0.77 2.24 0.00 -0.96 -4.97 120.51 116.44 1du4 n ALA 243 Ca -0.16 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1du4 n ALA 243 Cb 0.62 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.17 0.00 1.28 0.00 -2.24 -1.26 -4.45 114.28 106.45 1du4 n THR 244 Ca 0.11 -0.11 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 1du4 n THR 244 Cb 0.44 0.94 0.63 0.00 -2.10 0.00 0.00 70.33 70.23 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 1.42 -1.21 0.00 3.38 0.00 -1.26 -4.21 105.19 103.31 1du4 n GLY 245 Ca 0.03 -0.20 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 1.35 0.84 0.21 -0.02 0.00 -1.26 -4.95 105.19 101.36 1du4 n GLY 246 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.25 1.61 -0.73 -1.86 -3.37 115.58 109.98 1du4 h ASN 247 Ca 0.00 0.00 -0.74 0.00 1.87 0.00 0.00 56.30 57.43 1du4 h ASN 247 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 38.32 38.46 1du4 h ASN 247 CO 0.00 0.29 2.11 -3.20 -0.37 0.00 0.00 177.43 176.26 1du4 n ASN 248 N -3.80 4.88 -4.27 1.15 5.15 -1.26 -4.90 115.26 112.22 1du4 n ASN 248 Ca -0.01 -3.02 -0.25 0.00 -0.60 0.00 0.00 54.58 50.70 1du4 n ASN 248 Cb 0.38 -1.55 -0.13 0.00 -0.53 0.00 0.00 39.78 37.95 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 1.42 1.24 -1.31 1.20 -0.21 -1.26 -4.39 119.66 116.34 1du4 s GLN 249 Ca 0.43 -1.06 -0.17 0.00 0.02 0.00 0.00 55.36 54.57 1du4 s GLN 249 Cb 0.07 -1.44 0.07 0.00 1.00 0.00 0.00 33.01 32.72 1du4 s GLN 249 CO -0.01 0.35 1.79 -0.35 -2.12 0.00 0.00 175.29 174.95 1du4 n PRO 250 N 1.43 3.17 -4.10 2.91 -0.04 -1.26 -4.88 135.00 132.22 1du4 n PRO 250 Ca -0.18 -3.22 -0.13 0.00 -0.04 0.00 0.00 63.50 59.92 1du4 n PRO 250 Cb 0.53 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.47 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 4.06 0.51 0.11 3.54 2.20 -1.26 -5.12 114.94 118.98 1du4 s ASN 251 Ca 0.53 -1.32 -0.30 0.00 -0.94 0.00 0.00 52.86 50.82 1du4 s ASN 251 Cb 0.05 0.57 -0.07 0.00 -2.00 0.00 0.00 41.25 39.80 1du4 s ASN 251 CO 0.06 -1.13 1.21 0.27 -2.94 0.00 0.00 177.10 174.57 1du4 s ILE 252 N -3.62 3.82 0.84 0.54 -5.25 -1.26 -5.02 121.20 111.25 1du4 s ILE 252 Ca 0.31 1.37 -0.06 0.00 -0.99 0.00 0.00 60.65 61.28 1du4 s ILE 252 Cb 0.01 -3.88 0.18 0.00 2.95 0.00 0.00 42.46 41.72 1du4 s ILE 252 CO 0.16 0.14 1.14 -0.81 -1.79 0.00 0.00 174.94 173.78 1du4 n PRO 253 N 3.47 -0.55 -3.73 0.37 -0.04 -1.26 -4.96 135.00 128.30 1du4 n PRO 253 Ca 0.08 -2.55 -0.14 0.00 -0.04 0.00 0.00 63.50 60.85 1du4 n PRO 253 Cb 0.45 -0.93 -0.09 0.00 -0.04 0.00 0.00 33.50 32.90 1du4 n PRO 253 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1du4 s ASP 254 N -5.45 -0.31 -0.06 3.54 -1.08 -0.64 -4.93 116.67 107.73 1du4 s ASP 254 Ca 0.71 0.38 -0.16 0.00 -0.52 0.00 0.00 52.55 52.96 1du4 s ASP 254 Cb -0.03 0.49 -0.30 0.00 -1.46 0.00 0.00 42.92 41.62 1du4 s ASP 254 CO 0.48 -0.37 0.71 0.40 0.52 0.00 0.00 175.17 176.91 1du4 h ILE 255 N 3.97 1.14 -0.75 4.11 2.04 -1.97 -2.72 117.51 123.33 1du4 h ILE 255 Ca -0.28 -2.50 0.15 0.00 1.00 0.00 0.00 64.86 63.23 1du4 h ILE 255 Cb 1.17 2.87 -0.05 0.00 -0.74 0.00 0.00 36.82 40.08 1du4 h ILE 255 CO 0.35 0.76 0.50 -0.65 0.00 0.00 0.00 178.15 179.11 1du4 h PRO 256 N -0.16 0.39 0.00 2.37 0.11 -1.98 0.76 132.00 133.49 1du4 h PRO 256 Ca -0.27 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1du4 h PRO 256 Cb 1.87 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.89 1du4 h PRO 256 CO 0.14 0.26 -0.06 0.00 -0.21 0.00 0.00 178.00 178.12 1du4 h ALA 257 N 1.65 1.04 0.00 -0.75 0.00 -1.93 -0.59 119.26 118.67 1du4 h ALA 257 Ca 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1du4 h ALA 257 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1du4 h ALA 257 CO -0.11 0.08 -0.24 1.25 0.00 0.00 0.00 179.25 180.23 1du4 h HIS 258 N 0.00 0.00 -0.24 0.00 6.17 -0.99 -3.15 115.15 116.94 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 0.50 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.43 1du4 h HIS 258 CO 0.00 0.24 0.00 1.28 0.71 0.00 0.00 177.93 180.16 1du4 n LEU 259 N -3.49 2.92 -4.01 0.26 4.77 -0.23 -4.72 117.00 112.50 1du4 n LEU 259 Ca -0.00 -1.17 -0.33 0.00 -0.03 0.00 0.00 56.01 54.48 1du4 n LEU 259 Cb 0.41 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1du4 n LEU 259 CO 0.34 0.59 -0.08 0.86 -1.33 0.00 0.00 177.39 177.76 1du4 s TRP 260 N -1.70 3.28 -0.64 -1.77 -0.11 -1.19 -2.34 118.94 114.47 1du4 s TRP 260 Ca 0.35 -2.99 0.00 0.00 1.22 0.00 0.00 56.10 54.68 1du4 s TRP 260 Cb 0.21 -2.98 0.16 0.00 -1.50 0.00 0.00 33.47 29.36 1du4 s TRP 260 CO 0.30 -0.78 0.44 0.71 -4.62 0.00 0.00 176.95 173.00 1du4 s TYR 261 N -0.24 3.42 0.00 5.86 1.51 -1.26 -4.79 117.35 121.84 1du4 s TYR 261 Ca 0.17 -2.96 0.00 0.00 -1.01 0.00 0.00 57.07 53.27 1du4 s TYR 261 Cb -0.23 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 1du4 s TYR 261 CO -0.02 -0.76 0.00 1.19 -1.11 0.00 0.00 175.55 174.85 1du4 n PHE 262 N 3.05 0.00 -3.68 2.71 3.72 -1.26 -4.73 117.46 117.27 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 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1du4 n PHE 262 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1du4 n GLY 263 N 0.00 0.89 3.77 1.37 0.00 -1.26 -4.55 105.19 105.40 1du4 n GLY 263 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1du4 n GLY 263 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1du4 s LEU 264 N 0.00 4.36 -0.14 0.99 2.96 -1.26 -4.35 118.68 121.24 1du4 s LEU 264 Ca 0.07 2.51 -0.08 0.00 -0.22 0.00 0.00 54.13 56.41 1du4 s LEU 264 Cb -0.01 -3.78 0.05 0.00 0.50 0.00 0.00 46.19 42.95 1du4 s LEU 264 CO 0.01 -0.55 0.33 -0.51 -1.32 0.00 0.00 176.35 174.31 1du4 s ILE 265 N -1.24 -0.03 0.00 6.68 2.07 -0.99 -4.88 121.20 122.83 1du4 s ILE 265 Ca 0.51 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.85 1du4 s ILE 265 Cb -0.36 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 41.74 1du4 s ILE 265 CO 0.46 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 1du4 n GLY 266 N 3.96 0.72 0.00 1.50 0.00 -1.26 -4.60 105.19 105.51 1du4 n GLY 266 Ca -0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.10 0.00 -1.70 2.61 -2.24 -1.26 -4.95 114.28 104.63 1du4 n THR 267 Ca 0.00 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 1du4 n THR 267 Cb 0.00 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1du4 n THR 267 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50