#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iue s PHE 2 N 0.00 3.44 0.08 0.00 0.40 -1.26 -1.23 117.98 119.41 1iue s PHE 2 Ca 0.00 0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.61 1iue s PHE 2 Cb 0.00 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 1iue s PHE 2 CO 0.00 0.58 -0.16 0.71 0.70 0.00 0.00 175.22 177.04 1iue s TYR 3 N -1.47 1.40 -0.22 0.36 1.51 -0.40 -4.94 117.35 113.60 1iue s TYR 3 Ca 0.33 -0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 55.76 1iue s TYR 3 Cb -0.13 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.91 1iue s TYR 3 CO 0.26 0.11 0.51 -0.80 -1.11 0.00 0.00 175.55 174.51 1iue s ASN 4 N -1.79 6.52 -0.22 2.29 0.01 -1.26 -1.01 114.94 119.48 1iue s ASN 4 Ca 0.01 0.62 -0.07 0.00 -0.71 0.00 0.00 52.86 52.71 1iue s ASN 4 Cb -0.10 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1iue s ASN 4 CO 0.03 -0.20 0.06 -0.63 -1.51 0.00 0.00 177.10 174.85 1iue s ILE 5 N 1.79 4.41 -0.38 0.60 -1.09 0.12 -2.02 121.20 124.61 1iue s ILE 5 Ca 0.23 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.34 1iue s ILE 5 Cb -0.15 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1iue s ILE 5 CO 0.09 0.39 0.38 -0.89 -1.23 0.00 0.00 174.94 173.68 1iue s THR 6 N 1.13 5.16 -0.30 2.92 2.01 0.10 -1.73 115.64 124.92 1iue s THR 6 Ca 0.04 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 1iue s THR 6 Cb -0.14 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1iue s THR 6 CO 0.03 -0.26 0.19 -0.76 -0.69 0.00 0.00 174.62 173.13 1iue s LEU 7 N 2.00 4.16 -0.70 4.42 1.43 0.13 -0.55 118.68 129.56 1iue s LEU 7 Ca 0.11 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1iue s LEU 7 Cb -0.17 -2.08 0.18 0.00 0.03 0.00 0.00 46.19 44.15 1iue s LEU 7 CO 0.12 -0.14 0.65 -0.13 0.23 0.00 0.00 176.35 177.08 1iue s ARG 8 N 1.70 3.32 0.40 1.70 0.52 0.21 -0.08 118.95 126.72 1iue s ARG 8 Ca 0.06 -2.16 0.06 0.00 -0.52 0.00 0.00 55.73 53.17 1iue s ARG 8 Cb -0.17 -4.35 0.07 0.00 0.52 0.00 0.00 34.95 31.02 1iue s ARG 8 CO 0.09 -1.30 0.55 0.25 0.02 0.00 0.00 175.30 174.91 1iue n THR 9 N 4.47 0.00 1.65 0.02 -2.24 -0.99 -1.77 114.28 115.42 1iue n THR 9 Ca 0.02 -1.27 0.14 0.00 -2.27 0.00 0.00 64.05 60.68 1iue n THR 9 Cb 0.44 -0.71 0.81 0.00 -2.10 0.00 0.00 70.33 68.76 1iue n THR 9 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iue n ASN 10 N -2.59 0.00 -0.60 3.42 3.02 -1.26 -3.08 115.26 114.17 1iue n ASN 10 Ca 0.11 -0.63 0.06 0.00 -0.03 0.00 0.00 54.58 54.09 1iue n ASN 10 Cb 0.40 -0.10 0.20 0.00 -0.61 0.00 0.00 39.78 39.67 1iue n ASN 10 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1iue n ASP 11 N -1.10 1.71 0.00 6.41 9.92 -1.26 -5.10 116.55 127.14 1iue n ASP 11 Ca 0.19 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.64 1iue n ASP 11 Cb 0.14 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1iue n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iue n GLY 12 N -1.08 1.04 3.71 0.44 0.00 -1.18 -4.96 105.19 103.16 1iue n GLY 12 Ca 0.18 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 1iue n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iue s GLU 13 N -1.58 4.43 0.11 1.61 2.12 -1.26 -2.34 118.70 121.79 1iue s GLU 13 Ca 0.00 0.98 0.09 0.00 0.36 0.00 0.00 54.97 56.39 1iue s GLU 13 Cb 0.00 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1iue s GLU 13 CO 0.00 -0.01 -0.22 0.15 -0.54 0.00 0.00 175.26 174.64 1iue s LYS 14 N 1.04 1.16 -0.14 4.30 -0.14 0.88 -4.98 119.74 121.86 1iue s LYS 14 Ca 0.40 -1.19 0.02 0.00 -1.36 0.00 0.00 55.97 53.84 1iue s LYS 14 Cb -0.18 -1.45 0.01 0.00 -1.68 0.00 0.00 37.83 34.53 1iue s LYS 14 CO 0.19 0.34 -0.20 0.15 -0.76 0.00 0.00 175.35 175.06 1iue s LYS 15 N -1.92 2.84 0.04 1.68 1.02 -1.26 0.21 119.74 122.35 1iue s LYS 15 Ca 0.07 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 1iue s LYS 15 Cb -0.10 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1iue s LYS 15 CO 0.04 -0.05 -0.03 0.96 -0.92 0.00 0.00 175.35 175.35 1iue s ILE 16 N 0.92 0.21 0.26 2.17 -5.25 -0.71 -5.00 121.20 113.80 1iue s ILE 16 Ca -0.05 -1.54 0.06 0.00 -0.99 0.00 0.00 60.65 58.13 1iue s ILE 16 Cb -0.15 -1.14 -0.03 0.00 2.95 0.00 0.00 42.46 44.09 1iue s ILE 16 CO -0.03 -0.84 0.26 -1.83 -1.79 0.00 0.00 174.94 170.71 1iue s GLU 17 N -3.16 3.07 -0.16 0.37 -1.05 -1.26 0.11 118.70 116.62 1iue s GLU 17 Ca 0.00 -0.98 -0.09 0.00 -0.15 0.00 0.00 54.97 53.75 1iue s GLU 17 Cb 0.02 -2.66 0.05 0.00 -0.44 0.00 0.00 34.13 31.11 1iue s GLU 17 CO -0.07 0.38 0.39 0.00 0.95 0.00 0.00 175.26 176.91 1iue s ASN 19 N 1.23 6.61 0.13 0.00 3.84 -1.26 -1.28 114.94 124.20 1iue s ASN 19 Ca -0.08 2.25 0.13 0.00 0.21 0.00 0.00 52.86 55.37 1iue s ASN 19 Cb -0.08 -2.61 0.61 0.00 -0.55 0.00 0.00 41.25 38.62 1iue s ASN 19 CO -0.11 -0.61 1.39 -1.84 -2.79 0.00 0.00 177.10 173.15 1iue n GLU 20 N 0.06 0.07 -0.62 0.43 0.28 -0.36 -1.68 120.64 118.83 1iue n GLU 20 Ca 0.04 0.47 0.08 0.00 -0.16 0.00 0.00 57.16 57.59 1iue n GLU 20 Cb 0.47 -1.68 0.33 0.00 1.43 0.00 0.00 31.44 31.99 1iue n GLU 20 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1iue n ASP 21 N -1.82 4.70 -4.11 -1.84 10.43 -1.26 -4.43 116.55 118.22 1iue n ASP 21 Ca 0.01 -2.66 -0.10 0.00 2.57 0.00 0.00 54.79 54.61 1iue n ASP 21 Cb 0.08 -0.57 -0.10 0.00 1.84 0.00 0.00 41.12 42.37 1iue n ASP 21 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1iue s GLU 22 N -2.22 0.66 0.30 -1.24 -1.05 -0.67 -5.12 118.70 109.34 1iue s GLU 22 Ca 0.48 -1.12 -0.28 0.00 -0.15 0.00 0.00 54.97 53.90 1iue s GLU 22 Cb 0.34 -0.05 -0.09 0.00 -0.44 0.00 0.00 34.13 33.88 1iue s GLU 22 CO 0.18 -0.04 1.00 0.71 0.95 0.00 0.00 175.26 178.07 1iue s TYR 23 N -3.10 3.68 0.27 4.83 4.12 -1.26 -4.45 117.35 121.44 1iue s TYR 23 Ca 0.04 1.78 -0.02 0.00 0.02 0.00 0.00 57.07 58.88 1iue s TYR 23 Cb 0.02 -3.08 0.42 0.00 -1.52 0.00 0.00 41.96 37.80 1iue s TYR 23 CO -0.05 -0.07 1.89 0.82 0.02 0.00 0.00 175.55 178.17 1iue h ILE 24 N 2.84 1.10 -0.32 2.71 2.04 -1.17 -2.43 117.51 122.27 1iue h ILE 24 Ca -0.46 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.04 1iue h ILE 24 Cb 1.20 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1iue h ILE 24 CO 0.66 0.21 0.06 0.25 0.00 0.00 0.00 178.15 179.33 1iue h LEU 25 N 1.17 0.01 -0.39 1.44 5.85 -1.73 0.84 115.31 122.50 1iue h LEU 25 Ca 0.42 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.15 1iue h LEU 25 Cb 0.14 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1iue h LEU 25 CO -0.16 0.04 0.07 0.44 -0.34 0.00 0.00 178.44 178.50 1iue h ASP 26 N 0.17 0.62 -0.61 1.25 3.32 -1.76 -1.55 116.42 117.86 1iue h ASP 26 Ca 0.15 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1iue h ASP 26 Cb 0.16 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1iue h ASP 26 CO -0.20 0.71 0.30 0.00 -1.72 0.00 0.00 179.24 178.33 1iue h ALA 27 N 0.93 0.79 -0.49 3.45 0.00 -1.17 -2.49 119.26 120.28 1iue h ALA 27 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iue h ALA 27 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1iue h ALA 27 CO 0.01 0.34 0.25 1.03 0.00 0.00 0.00 179.25 180.88 1iue h SER 28 N 0.84 0.62 -0.61 0.00 0.87 -0.69 -2.88 113.55 111.69 1iue h SER 28 Ca 0.21 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1iue h SER 28 Cb 0.11 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1iue h SER 28 CO -0.03 0.55 0.37 -0.33 -0.53 0.00 0.00 176.83 176.86 1iue h GLU 29 N 0.64 0.83 0.00 2.24 5.08 -1.03 -1.16 114.58 121.18 1iue h GLU 29 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1iue h GLU 29 Cb 0.08 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1iue h GLU 29 CO -0.02 0.59 0.00 0.07 -1.00 0.00 0.00 179.01 178.65 1iue h ARG 30 N 0.83 0.00 -0.65 2.33 0.11 -1.38 -1.53 114.38 114.09 1iue h ARG 30 Ca 0.22 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.22 1iue h ARG 30 Cb -0.03 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.01 1iue h ARG 30 CO -0.04 0.00 0.09 1.04 0.10 0.00 0.00 179.97 181.16 1iue n GLN 31 N -2.69 4.45 -3.44 0.08 6.02 -0.78 -4.94 117.38 116.07 1iue n GLN 31 Ca 0.01 -3.07 -0.25 0.00 -0.01 0.00 0.00 57.00 53.69 1iue n GLN 31 Cb 0.28 -2.24 0.05 0.00 1.02 0.00 0.00 30.24 29.35 1iue n GLN 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iue n ASN 32 N 0.36 -5.81 -3.96 1.08 3.02 -0.58 -4.98 115.26 104.39 1iue n ASN 32 Ca 0.32 -0.48 -0.31 0.00 -0.03 0.00 0.00 54.58 54.08 1iue n ASN 32 Cb 1.25 -4.63 -0.15 0.00 -0.61 0.00 0.00 39.78 35.64 1iue n ASN 32 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iue s VAL 33 N -3.24 2.15 0.18 2.41 1.01 -0.51 -5.02 120.40 117.38 1iue s VAL 33 Ca 0.49 -2.43 -0.30 0.00 0.00 0.00 0.00 61.98 59.74 1iue s VAL 33 Cb -0.23 -2.57 -0.08 0.00 0.00 0.00 0.00 36.38 33.50 1iue s VAL 33 CO 0.61 -0.66 1.23 -1.61 0.00 0.00 0.00 175.10 174.67 1iue s GLU 34 N 0.75 4.46 0.16 2.72 2.02 -1.26 -3.73 118.70 123.81 1iue s GLU 34 Ca 0.12 1.91 0.08 0.00 0.02 0.00 0.00 54.97 57.10 1iue s GLU 34 Cb -0.20 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1iue s GLU 34 CO -0.08 -0.14 -0.18 -0.51 0.02 0.00 0.00 175.26 174.37 1iue s LEU 35 N -0.07 2.43 0.48 1.80 1.43 -1.26 -5.08 118.68 118.41 1iue s LEU 35 Ca 0.54 -0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 1iue s LEU 35 Cb -0.33 -0.79 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 1iue s LEU 35 CO 0.36 -0.05 1.13 -2.16 0.23 0.00 0.00 176.35 175.87 1iue s PRO 36 N -2.75 3.68 -0.04 1.29 0.04 -1.26 -5.03 135.00 130.92 1iue s PRO 36 Ca 0.14 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 1iue s PRO 36 Cb -0.06 -2.27 0.12 0.00 0.04 0.00 0.00 34.50 32.33 1iue s PRO 36 CO 0.06 -0.59 1.20 1.52 0.04 0.00 0.00 177.00 179.22 1iue s TYR 37 N -1.66 -0.10 0.00 0.56 1.13 -1.26 -3.76 117.35 112.26 1iue s TYR 37 Ca 0.66 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.30 1iue s TYR 37 Cb -0.25 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.16 1iue s TYR 37 CO 0.30 -0.35 0.00 -1.13 -2.51 0.00 0.00 175.55 171.87 1iue n SER 38 N -0.36 0.00 0.01 -0.18 3.41 -1.26 -4.88 113.62 110.37 1iue n SER 38 Ca -0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.49 1iue n SER 38 Cb 0.61 0.15 0.12 0.00 -0.26 0.00 0.00 64.21 64.83 1iue n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iue n ARG 40 N -4.02 -1.42 0.00 0.00 1.74 -1.26 -4.82 116.66 106.88 1iue n ARG 40 Ca -0.02 0.83 0.02 0.00 -0.77 0.00 0.00 57.85 57.91 1iue n ARG 40 Cb 0.52 -5.08 0.01 0.00 -1.02 0.00 0.00 32.46 26.89 1iue n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iue n GLY 41 N -0.30 -0.66 1.27 -0.13 0.00 -1.26 -4.85 105.19 99.26 1iue n GLY 41 Ca -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1iue n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iue n GLY 42 N 0.45 0.67 0.55 -0.02 0.00 -1.26 -4.84 105.19 100.74 1iue n GLY 42 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1iue n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iue n SER 43 N 0.16 2.41 -1.89 1.61 3.41 -1.26 -0.44 113.62 117.62 1iue n SER 43 Ca 0.00 -1.71 -0.02 0.00 -0.26 0.00 0.00 58.87 56.88 1iue n SER 43 Cb 0.00 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1iue n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iue n SER 45 N -1.55 1.44 -0.28 0.00 3.41 -1.26 -4.77 113.62 110.61 1iue n SER 45 Ca -0.01 -1.22 0.02 0.00 -0.26 0.00 0.00 58.87 57.40 1iue n SER 45 Cb 0.04 0.17 0.16 0.00 -0.26 0.00 0.00 64.21 64.32 1iue n SER 45 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1iue h THR 46 N 1.31 0.92 -0.35 6.66 2.02 -1.94 -2.53 112.91 119.00 1iue h THR 46 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1iue h THR 46 Cb 0.31 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1iue h THR 46 CO 0.00 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.03 1iue n ALA 48 N 0.49 0.20 -2.60 0.00 0.00 -0.96 -3.53 120.51 114.11 1iue n ALA 48 Ca 0.14 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.85 1iue n ALA 48 Cb 0.52 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 1iue n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iue s ALA 49 N -0.64 0.86 -0.06 0.00 0.00 -0.09 -1.73 121.76 120.10 1iue s ALA 49 Ca 0.64 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1iue s ALA 49 Cb -0.70 1.28 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1iue s ALA 49 CO 0.56 -0.71 -0.12 0.21 0.00 0.00 0.00 175.76 175.70 1iue s LYS 50 N -3.77 1.62 -0.36 0.00 2.20 0.33 -1.01 119.74 118.75 1iue s LYS 50 Ca 0.33 -0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 55.27 1iue s LYS 50 Cb 0.03 -1.35 0.02 0.00 -1.51 0.00 0.00 37.83 35.01 1iue s LYS 50 CO 0.16 0.04 1.02 -1.17 -0.36 0.00 0.00 175.35 175.03 1iue s LEU 51 N 0.61 3.92 -0.11 5.43 2.96 0.07 -0.64 118.68 130.91 1iue s LEU 51 Ca -0.13 0.77 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 1iue s LEU 51 Cb -0.15 -3.42 -0.27 0.00 0.50 0.00 0.00 46.19 42.85 1iue s LEU 51 CO 0.03 -0.92 0.54 0.58 -1.32 0.00 0.00 176.35 175.26 1iue h VAL 52 N 5.84 1.02 -2.87 1.68 2.07 -0.99 -3.47 116.25 119.53 1iue h VAL 52 Ca -0.22 -2.39 -0.11 0.00 0.82 0.00 0.00 66.70 64.80 1iue h VAL 52 Cb 1.07 2.70 -0.21 0.00 -1.52 0.00 0.00 31.29 33.32 1iue h VAL 52 CO 1.02 0.69 -0.23 -0.70 0.02 0.00 0.00 177.57 178.38 1iue s GLU 53 N -2.47 0.65 0.00 1.57 2.12 -1.00 -4.97 118.70 114.60 1iue s GLU 53 Ca -0.20 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.17 1iue s GLU 53 Cb 0.04 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1iue s GLU 53 CO 0.76 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1iue n GLY 54 N 1.67 1.10 3.42 -1.50 0.00 -1.26 -1.16 105.19 107.47 1iue n GLY 54 Ca -0.19 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.34 1iue n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iue s GLU 55 N -1.31 1.82 0.19 1.61 0.41 -1.26 -5.03 118.70 115.13 1iue s GLU 55 Ca 0.00 -1.12 -0.04 0.00 -0.41 0.00 0.00 54.97 53.40 1iue s GLU 55 Cb 0.00 -2.07 -0.03 0.00 -1.78 0.00 0.00 34.13 30.25 1iue s GLU 55 CO 0.00 0.50 0.19 0.14 -0.49 0.00 0.00 175.26 175.60 1iue s VAL 56 N -0.96 0.03 -0.33 2.63 -7.23 -1.26 -0.40 120.40 112.88 1iue s VAL 56 Ca 0.14 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1iue s VAL 56 Cb -0.10 -2.27 0.10 0.00 0.56 0.00 0.00 36.38 34.67 1iue s VAL 56 CO 0.06 -0.14 0.10 -0.62 -0.31 0.00 0.00 175.10 174.19 1iue s ASP 57 N -3.09 4.19 -0.20 4.85 -1.08 0.53 -4.82 116.67 117.05 1iue s ASP 57 Ca 0.30 -1.89 0.14 0.00 -0.52 0.00 0.00 52.55 50.58 1iue s ASP 57 Cb 0.05 -1.09 0.44 0.00 -1.46 0.00 0.00 42.92 40.87 1iue s ASP 57 CO 0.08 -0.39 1.33 -3.20 0.52 0.00 0.00 175.17 173.51 1iue n ASN 58 N 4.53 2.78 0.20 -0.34 4.05 -1.26 -0.82 115.26 124.41 1iue n ASN 58 Ca 0.01 -3.37 0.14 0.00 0.45 0.00 0.00 54.58 51.81 1iue n ASN 58 Cb 0.41 -0.54 0.72 0.00 1.23 0.00 0.00 39.78 41.60 1iue n ASN 58 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 1iue h ASP 59 N 0.98 0.00 0.89 1.20 3.32 -1.93 -1.58 116.42 119.30 1iue h ASP 59 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1iue h ASP 59 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1iue h ASP 59 CO 0.18 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.17 1iue n ASP 60 N -2.50 0.18 -4.85 6.45 8.00 -1.26 -4.80 116.55 117.78 1iue n ASP 60 Ca -0.01 0.53 -0.30 0.00 0.71 0.00 0.00 54.79 55.72 1iue n ASP 60 Cb 0.10 -0.57 0.08 0.00 -0.02 0.00 0.00 41.12 40.70 1iue n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iue s GLN 61 N -3.05 2.32 0.00 -1.24 1.03 -0.60 -4.79 119.66 113.33 1iue s GLN 61 Ca 0.10 0.48 0.00 0.00 0.04 0.00 0.00 55.36 55.98 1iue s GLN 61 Cb 0.14 -1.96 0.00 0.00 0.03 0.00 0.00 33.01 31.22 1iue s GLN 61 CO 0.45 -1.42 0.00 -1.13 -2.54 0.00 0.00 175.29 170.65 1iue n SER 62 N -3.27 0.00 0.08 12.60 3.41 0.41 -4.94 113.62 121.91 1iue n SER 62 Ca 0.07 -0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.29 1iue n SER 62 Cb 0.57 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.37 1iue n SER 62 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1iue h TYR 63 N 0.00 0.73 -3.80 7.33 5.03 -1.70 -3.46 116.97 121.09 1iue h TYR 63 Ca 0.00 -0.53 -0.51 0.00 2.58 0.00 0.00 58.73 60.27 1iue h TYR 63 Cb 0.08 -0.03 0.03 0.00 1.55 0.00 0.00 36.73 38.36 1iue h TYR 63 CO 0.00 1.55 0.53 -0.51 -1.32 0.00 0.00 178.16 178.41 1iue s LEU 64 N -7.56 4.50 0.66 2.82 1.43 -1.26 -5.04 118.68 114.24 1iue s LEU 64 Ca -0.14 2.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 1iue s LEU 64 Cb 0.04 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.73 1iue s LEU 64 CO 0.87 -0.29 0.92 1.51 0.23 0.00 0.00 176.35 179.59 1iue s ASP 65 N -0.67 4.64 0.22 2.29 1.47 -1.26 -4.87 116.67 118.49 1iue s ASP 65 Ca 0.47 -0.39 -0.09 0.00 1.18 0.00 0.00 52.55 53.72 1iue s ASP 65 Cb -0.35 -0.11 0.33 0.00 -0.34 0.00 0.00 42.92 42.46 1iue s ASP 65 CO 0.44 -1.65 1.71 -0.08 0.68 0.00 0.00 175.17 176.28 1iue h GLU 66 N -0.30 0.30 -0.31 2.11 4.81 -1.99 -1.21 114.58 118.00 1iue h GLU 66 Ca -0.36 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1iue h GLU 66 Cb 1.28 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1iue h GLU 66 CO 0.42 0.20 0.15 1.49 -0.73 0.00 0.00 179.01 180.53 1iue h GLU 67 N 0.31 0.44 -0.58 1.92 4.57 -1.98 0.13 114.58 119.38 1iue h GLU 67 Ca 0.34 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.39 1iue h GLU 67 Cb 0.50 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1iue h GLU 67 CO -0.40 0.42 0.13 1.96 -1.18 0.00 0.00 179.01 179.93 1iue h GLN 68 N 0.36 0.91 -0.36 1.92 4.20 -1.84 -1.02 115.11 119.29 1iue h GLN 68 Ca 0.11 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1iue h GLN 68 Cb 0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1iue h GLN 68 CO -0.01 0.83 -0.22 0.82 -0.67 0.00 0.00 178.83 179.58 1iue h ILE 69 N 0.87 1.27 -0.51 2.54 2.04 -1.01 -2.23 117.51 120.48 1iue h ILE 69 Ca 0.19 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1iue h ILE 69 Cb 0.34 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1iue h ILE 69 CO 0.00 0.43 0.20 0.50 0.00 0.00 0.00 178.15 179.28 1iue h LYS 70 N 0.61 0.74 -0.14 2.37 1.63 -0.22 -0.95 116.57 120.61 1iue h LYS 70 Ca 0.09 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1iue h LYS 70 Cb 0.70 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1iue h LYS 70 CO 0.05 0.61 0.00 1.63 -3.45 0.00 0.00 179.45 178.30 1iue n LYS 71 N -4.34 1.00 -1.08 1.90 4.76 -0.46 -4.87 118.16 115.08 1iue n LYS 71 Ca 0.04 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.45 1iue n LYS 71 Cb 0.16 -1.07 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1iue n LYS 71 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1iue n LYS 72 N -0.43 -0.24 -2.83 1.97 4.76 -0.36 -4.91 118.16 116.12 1iue n LYS 72 Ca 0.00 0.51 -0.36 0.00 -2.87 0.00 0.00 58.31 55.59 1iue n LYS 72 Cb 0.03 -4.07 -0.06 0.00 -1.84 0.00 0.00 35.03 29.09 1iue n LYS 72 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1iue s TYR 73 N -2.07 3.64 0.03 2.13 1.51 -0.89 -0.75 117.35 120.94 1iue s TYR 73 Ca 0.00 1.71 -0.04 0.00 -1.01 0.00 0.00 57.07 57.73 1iue s TYR 73 Cb 0.00 -2.87 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 1iue s TYR 73 CO 0.00 0.19 0.05 0.96 -1.11 0.00 0.00 175.55 175.64 1iue s ILE 74 N -1.68 0.12 -0.38 2.71 -4.36 -0.18 -4.54 121.20 112.90 1iue s ILE 74 Ca 0.51 -1.02 -0.08 0.00 -0.26 0.00 0.00 60.65 59.80 1iue s ILE 74 Cb -0.17 -0.65 0.06 0.00 1.25 0.00 0.00 42.46 42.95 1iue s ILE 74 CO 0.22 -0.56 0.20 -0.76 0.24 0.00 0.00 174.94 174.28 1iue s LEU 75 N -1.83 4.80 0.55 0.37 1.43 -1.26 -0.92 118.68 121.83 1iue s LEU 75 Ca -0.10 -1.32 0.24 0.00 -1.03 0.00 0.00 54.13 51.92 1iue s LEU 75 Cb -0.05 -1.95 1.51 0.00 0.03 0.00 0.00 46.19 45.74 1iue s LEU 75 CO -0.03 -0.44 2.13 -0.07 0.23 0.00 0.00 176.35 178.18 1iue h LEU 76 N 8.33 0.00 -0.88 1.79 3.38 -1.93 -2.02 115.31 123.99 1iue h LEU 76 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1iue h LEU 76 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1iue h LEU 76 CO 0.69 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1iue n THR 78 N -2.21 0.41 -4.08 0.00 -2.24 -0.79 -4.84 114.28 100.53 1iue n THR 78 Ca 0.01 -1.09 -0.35 0.00 -2.27 0.00 0.00 64.05 60.36 1iue n THR 78 Cb 0.17 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 1iue n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iue s TYR 80 N 1.17 3.60 0.15 0.00 1.51 0.00 -1.27 117.35 122.51 1iue s TYR 80 Ca 0.02 0.64 -0.20 0.00 -1.01 0.00 0.00 57.07 56.52 1iue s TYR 80 Cb -0.14 -2.11 -0.08 0.00 -0.11 0.00 0.00 41.96 39.52 1iue s TYR 80 CO -0.00 0.60 0.67 -1.25 -1.11 0.00 0.00 175.55 174.45 1iue s PRO 81 N -0.70 4.28 -0.09 -1.71 0.04 -1.26 -0.34 135.00 135.22 1iue s PRO 81 Ca 0.17 0.85 0.13 0.00 0.04 0.00 0.00 61.00 62.18 1iue s PRO 81 Cb -0.13 -3.09 0.19 0.00 0.04 0.00 0.00 34.50 31.51 1iue s PRO 81 CO 0.06 0.52 1.09 1.63 0.04 0.00 0.00 177.00 180.34 1iue n LYS 82 N 1.25 1.59 0.00 4.56 4.76 0.47 -4.28 118.16 126.51 1iue n LYS 82 Ca -0.06 -2.17 0.00 0.00 -2.87 0.00 0.00 58.31 53.21 1iue n LYS 82 Cb 0.50 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1iue n LYS 82 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1iue n SER 83 N -1.09 0.00 -4.76 4.39 3.41 -1.22 -4.75 113.62 109.61 1iue n SER 83 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.32 1iue n SER 83 Cb 0.55 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 1iue n SER 83 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1iue s ASP 84 N 0.00 5.77 0.07 4.04 -0.00 -1.26 -4.64 116.67 120.65 1iue s ASP 84 Ca 0.00 2.86 0.03 0.00 -0.00 0.00 0.00 52.55 55.44 1iue s ASP 84 Cb 0.00 -2.65 -0.03 0.00 -0.00 0.00 0.00 42.92 40.24 1iue s ASP 84 CO 0.00 -1.24 -0.10 0.00 -0.00 0.00 0.00 175.17 173.84 1iue s VAL 86 N -1.87 2.03 -0.03 0.00 1.01 -0.30 0.01 120.40 121.25 1iue s VAL 86 Ca -0.02 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1iue s VAL 86 Cb -0.07 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1iue s VAL 86 CO 0.00 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 174.72 1iue s ILE 87 N 1.26 1.05 -0.23 2.22 1.01 0.28 -0.30 121.20 126.50 1iue s ILE 87 Ca 0.01 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1iue s ILE 87 Cb -0.15 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1iue s ILE 87 CO -0.11 0.31 0.37 -1.61 0.00 0.00 0.00 174.94 173.90 1iue s GLU 88 N -0.00 4.10 0.64 2.79 2.02 0.19 -0.62 118.70 127.82 1iue s GLU 88 Ca -0.01 0.10 0.03 0.00 0.02 0.00 0.00 54.97 55.11 1iue s GLU 88 Cb -0.08 -3.58 0.10 0.00 0.10 0.00 0.00 34.13 30.66 1iue s GLU 88 CO 0.01 -0.13 0.89 0.95 0.02 0.00 0.00 175.26 177.00 1iue s THR 89 N 1.59 2.25 -1.29 3.63 -4.23 -0.73 -0.51 115.64 116.35 1iue s THR 89 Ca 0.16 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1iue s THR 89 Cb -0.15 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1iue s THR 89 CO 0.08 0.00 0.69 1.41 -0.54 0.00 0.00 174.62 176.27 1iue n HIS 90 N -2.56 -1.91 -0.60 3.99 8.25 -1.23 -4.81 115.22 116.35 1iue n HIS 90 Ca 0.14 0.80 0.08 0.00 -0.26 0.00 0.00 57.72 58.48 1iue n HIS 90 Cb 0.61 -4.25 0.28 0.00 1.12 0.00 0.00 29.99 27.75 1iue n HIS 90 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iue n LYS 91 N -4.23 3.31 -0.16 -0.41 4.76 -0.70 -4.63 118.16 116.10 1iue n LYS 91 Ca -0.27 -2.65 -0.05 0.00 -2.87 0.00 0.00 58.31 52.46 1iue n LYS 91 Cb 0.67 -1.71 0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1iue n LYS 91 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1iue h GLU 92 N 2.95 0.48 -0.57 1.97 4.81 -1.81 -0.06 114.58 122.36 1iue h GLU 92 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1iue h GLU 92 Cb 1.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1iue h GLU 92 CO 0.17 0.32 0.24 -0.44 -0.73 0.00 0.00 179.01 178.57 1iue h ASP 93 N 0.50 0.78 -0.51 1.04 3.32 -1.93 0.24 116.42 119.86 1iue h ASP 93 Ca 0.20 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1iue h ASP 93 Cb 0.09 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1iue h ASP 93 CO -0.13 0.72 0.29 -0.08 -1.72 0.00 0.00 179.24 178.32 1iue h GLU 94 N 0.78 0.71 -0.60 3.56 4.81 -1.79 -2.30 114.58 119.75 1iue h GLU 94 Ca 0.19 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1iue h GLU 94 Cb 0.18 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1iue h GLU 94 CO -0.02 0.54 0.37 1.25 -0.73 0.00 0.00 179.01 180.42 1iue h LEU 95 N 0.69 0.72 -1.95 1.64 5.85 -0.70 -0.55 115.31 121.00 1iue h LEU 95 Ca 0.18 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1iue h LEU 95 Cb 0.03 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1iue h LEU 95 CO -0.03 0.56 0.06 -0.74 -0.34 0.00 0.00 178.44 177.95 1iue h HIS 96 N 0.81 0.07 0.00 1.25 2.76 -0.51 -3.33 115.15 116.21 1iue h HIS 96 Ca 0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1iue h HIS 96 Cb -0.03 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1iue h HIS 96 CO -0.02 0.04 -0.13 -0.25 -1.30 0.00 0.00 177.93 176.27 1iue n ASP 97 N -4.52 0.36 0.00 3.26 8.00 -0.91 -5.10 116.55 117.65 1iue n ASP 97 Ca -0.01 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1iue n ASP 97 Cb 0.12 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 1iue n ASP 97 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04