#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 3.20 0.09 0.00 0.40 -1.26 -1.11 117.98 119.30 1iue s PHE 2 Ca 0.00 0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1iue s PHE 2 Cb 0.00 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 1iue s PHE 2 CO 0.00 0.52 -0.16 0.71 0.70 0.00 0.00 175.22 176.99 1iue s TYR 3 N -1.34 1.40 -0.20 0.36 1.51 -0.55 -4.94 117.35 113.59 1iue s TYR 3 Ca 0.28 -0.46 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 1iue s TYR 3 Cb -0.12 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1iue s TYR 3 CO 0.20 0.11 0.47 -0.80 -1.11 0.00 0.00 175.55 174.43 1iue s ASN 4 N -1.91 6.52 -0.21 2.29 0.01 -1.26 -1.20 114.94 119.18 1iue s ASN 4 Ca 0.02 0.62 -0.06 0.00 -0.71 0.00 0.00 52.86 52.73 1iue s ASN 4 Cb -0.09 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 1iue s ASN 4 CO 0.03 -0.13 0.04 -0.63 -1.51 0.00 0.00 177.10 174.90 1iue s ILE 5 N 1.47 4.30 -0.43 0.60 -1.09 0.17 -2.07 121.20 124.15 1iue s ILE 5 Ca 0.22 -0.19 -0.17 0.00 -2.23 0.00 0.00 60.65 58.28 1iue s ILE 5 Cb -0.15 -2.96 0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1iue s ILE 5 CO 0.09 0.41 0.41 -0.89 -1.23 0.00 0.00 174.94 173.72 1iue s THR 6 N 1.03 5.14 -0.33 2.92 2.01 0.12 -1.75 115.64 124.77 1iue s THR 6 Ca 0.03 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 1iue s THR 6 Cb -0.14 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 1iue s THR 6 CO 0.02 -0.43 0.33 -0.76 -0.69 0.00 0.00 174.62 173.09 1iue s LEU 7 N 1.99 4.40 -0.69 4.42 1.43 0.57 -0.39 118.68 130.42 1iue s LEU 7 Ca 0.10 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1iue s LEU 7 Cb -0.18 -2.29 0.18 0.00 0.03 0.00 0.00 46.19 43.92 1iue s LEU 7 CO 0.12 -0.29 0.64 -0.13 0.23 0.00 0.00 176.35 176.92 1iue s ARG 8 N 1.94 3.30 0.16 1.70 0.52 0.70 -0.09 118.95 127.18 1iue s ARG 8 Ca 0.10 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.21 1iue s ARG 8 Cb -0.17 -4.36 0.03 0.00 0.52 0.00 0.00 34.95 30.98 1iue s ARG 8 CO 0.11 -1.31 0.23 0.25 0.02 0.00 0.00 175.30 174.60 1iue n THR 9 N 4.56 0.00 1.52 0.02 -2.24 -0.74 -1.51 114.28 115.89 1iue n THR 9 Ca 0.01 -0.39 0.15 0.00 -2.27 0.00 0.00 64.05 61.54 1iue n THR 9 Cb 0.44 -1.18 0.67 0.00 -2.10 0.00 0.00 70.33 68.16 1iue n THR 9 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1iue n ASN 10 N -2.95 0.45 -2.40 3.42 6.94 -1.26 -3.63 115.26 115.83 1iue n ASN 10 Ca 0.04 -0.70 -0.16 0.00 -0.02 0.00 0.00 54.58 53.74 1iue n ASN 10 Cb 0.14 -0.07 0.03 0.00 -2.36 0.00 0.00 39.78 37.51 1iue n ASN 10 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1iue n ASP 11 N -0.88 3.56 0.00 0.53 2.03 -1.26 -5.11 116.55 115.42 1iue n ASP 11 Ca 0.16 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.33 1iue n ASP 11 Cb 0.25 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 1iue n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1iue n GLY 12 N -0.57 0.07 3.73 0.27 0.00 -1.24 -4.94 105.19 102.51 1iue n GLY 12 Ca 0.29 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.30 4.30 0.03 1.61 2.12 -1.26 -1.78 118.70 122.42 1iue s GLU 13 Ca 0.00 0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.81 1iue s GLU 13 Cb 0.00 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 1iue s GLU 13 CO 0.00 0.21 -0.21 0.15 -0.54 0.00 0.00 175.26 174.87 1iue s LYS 14 N 0.46 1.49 -0.21 4.30 -0.14 0.87 -4.98 119.74 121.53 1iue s LYS 14 Ca 0.25 -0.91 -0.05 0.00 -1.36 0.00 0.00 55.97 53.89 1iue s LYS 14 Cb -0.15 -1.57 -0.02 0.00 -1.68 0.00 0.00 37.83 34.40 1iue s LYS 14 CO 0.10 0.41 0.01 0.15 -0.76 0.00 0.00 175.35 175.25 1iue s LYS 15 N -1.04 3.60 0.05 1.68 -0.14 -1.26 -0.31 119.74 122.32 1iue s LYS 15 Ca 0.08 -0.52 -0.04 0.00 -1.36 0.00 0.00 55.97 54.13 1iue s LYS 15 Cb -0.09 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 1iue s LYS 15 CO 0.01 -0.03 0.06 0.96 -0.76 0.00 0.00 175.35 175.59 1iue s ILE 16 N 1.11 0.16 0.33 2.17 -5.25 -0.72 -5.01 121.20 113.99 1iue s ILE 16 Ca 0.03 -1.29 0.08 0.00 -0.99 0.00 0.00 60.65 58.47 1iue s ILE 16 Cb -0.14 -1.06 -0.03 0.00 2.95 0.00 0.00 42.46 44.18 1iue s ILE 16 CO 0.02 -0.71 0.26 -1.83 -1.79 0.00 0.00 174.94 170.89 1iue s GLU 17 N -3.01 2.66 -0.21 0.37 -1.05 -1.26 0.43 118.70 116.63 1iue s GLU 17 Ca -0.02 -1.34 -0.15 0.00 -0.15 0.00 0.00 54.97 53.32 1iue s GLU 17 Cb 0.01 -2.42 0.06 0.00 -0.44 0.00 0.00 34.13 31.34 1iue s GLU 17 CO -0.07 0.10 0.53 0.00 0.95 0.00 0.00 175.26 176.78 1iue s ASN 19 N 1.04 6.85 0.29 0.00 3.84 -1.26 -1.48 114.94 124.22 1iue s ASN 19 Ca -0.06 2.35 0.22 0.00 0.21 0.00 0.00 52.86 55.58 1iue s ASN 19 Cb -0.06 -2.62 1.08 0.00 -0.55 0.00 0.00 41.25 39.10 1iue s ASN 19 CO -0.10 -0.45 1.68 -1.84 -2.79 0.00 0.00 177.10 173.61 1iue n GLU 20 N 0.57 0.16 -0.54 0.43 0.28 -0.26 -1.52 120.64 119.76 1iue n GLU 20 Ca 0.02 0.55 0.09 0.00 -0.16 0.00 0.00 57.16 57.66 1iue n GLU 20 Cb 0.45 -1.92 0.33 0.00 1.43 0.00 0.00 31.44 31.73 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 -2.25 4.34 -4.15 -1.84 10.43 -1.26 -4.41 116.55 117.41 1iue n ASP 21 Ca 0.00 -2.34 -0.10 0.00 2.57 0.00 0.00 54.79 54.93 1iue n ASP 21 Cb 0.12 -0.54 -0.10 0.00 1.84 0.00 0.00 41.12 42.43 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 -1.69 0.78 0.28 -1.24 -1.05 -0.58 -5.12 118.70 110.10 1iue s GLU 22 Ca 0.48 -1.31 -0.28 0.00 -0.15 0.00 0.00 54.97 53.70 1iue s GLU 22 Cb 0.30 -0.10 -0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1iue s GLU 22 CO 0.25 -0.05 0.96 0.71 0.95 0.00 0.00 175.26 178.09 1iue s TYR 23 N -3.70 3.80 0.32 4.83 4.12 -1.26 -4.39 117.35 121.07 1iue s TYR 23 Ca 0.11 1.83 0.03 0.00 0.02 0.00 0.00 57.07 59.06 1iue s TYR 23 Cb 0.06 -3.00 0.62 0.00 -1.52 0.00 0.00 41.96 38.13 1iue s TYR 23 CO -0.06 0.21 1.92 0.82 0.02 0.00 0.00 175.55 178.45 1iue h ILE 24 N 2.88 1.02 -0.20 2.71 2.04 -1.15 -2.49 117.51 122.33 1iue h ILE 24 Ca -0.46 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1iue h ILE 24 Cb 1.20 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1iue h ILE 24 CO 0.66 0.17 0.06 0.25 0.00 0.00 0.00 178.15 179.29 1iue h LEU 25 N 0.91 0.06 -0.52 1.44 5.85 -1.65 0.57 115.31 121.96 1iue h LEU 25 Ca 0.38 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 1iue h LEU 25 Cb 0.29 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1iue h LEU 25 CO -0.14 0.06 0.10 0.44 -0.34 0.00 0.00 178.44 178.55 1iue h ASP 26 N 0.15 0.81 -0.37 1.25 3.32 -1.76 -1.44 116.42 118.38 1iue h ASP 26 Ca 0.09 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1iue h ASP 26 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1iue h ASP 26 CO -0.10 0.86 0.19 0.00 -1.72 0.00 0.00 179.24 178.47 1iue h ALA 27 N 0.99 0.48 -0.46 3.45 0.00 -1.23 -2.49 119.26 120.00 1iue h ALA 27 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1iue h ALA 27 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1iue h ALA 27 CO 0.01 0.02 0.30 1.03 0.00 0.00 0.00 179.25 180.60 1iue h SER 28 N 0.47 0.51 -0.68 0.00 0.87 -0.73 -2.85 113.55 111.13 1iue h SER 28 Ca 0.13 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1iue h SER 28 Cb 0.09 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1iue h SER 28 CO -0.02 0.37 0.44 -0.33 -0.53 0.00 0.00 176.83 176.76 1iue h GLU 29 N 0.61 0.88 0.00 2.24 5.08 -1.04 -0.78 114.58 121.56 1iue h GLU 29 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1iue h GLU 29 Cb -0.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1iue h GLU 29 CO -0.04 0.58 0.00 0.07 -1.00 0.00 0.00 179.01 178.62 1iue h ARG 30 N 0.90 0.00 -0.66 2.33 0.11 -1.32 -1.57 114.38 114.16 1iue h ARG 30 Ca 0.25 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 1iue h ARG 30 Cb -0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.98 1iue h ARG 30 CO -0.06 0.00 0.02 1.04 0.10 0.00 0.00 179.97 181.07 1iue n GLN 31 N -3.08 4.19 -2.66 0.08 6.02 -0.81 -4.92 117.38 116.19 1iue n GLN 31 Ca 0.01 -2.62 -0.20 0.00 -0.01 0.00 0.00 57.00 54.17 1iue n GLN 31 Cb 0.30 -2.14 0.01 0.00 1.02 0.00 0.00 30.24 29.44 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 0.47 -5.74 -4.10 1.08 3.02 -0.59 -4.98 115.26 104.42 1iue n ASN 32 Ca 0.24 -0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 1iue n ASN 32 Cb 1.06 -4.67 -0.12 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.06 3.23 0.12 2.41 1.01 -0.36 -5.01 120.40 118.74 1iue s VAL 33 Ca 0.14 -2.25 -0.31 0.00 0.00 0.00 0.00 61.98 59.55 1iue s VAL 33 Cb -0.06 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 1iue s VAL 33 CO 0.17 -0.71 1.42 -1.61 0.00 0.00 0.00 175.10 174.37 1iue s GLU 34 N 0.90 4.30 0.13 2.72 0.41 -1.26 -3.69 118.70 122.21 1iue s GLU 34 Ca 0.10 2.12 0.07 0.00 -0.41 0.00 0.00 54.97 56.85 1iue s GLU 34 Cb -0.22 -3.23 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1iue s GLU 34 CO -0.04 -0.47 -0.16 -0.51 -0.49 0.00 0.00 175.26 173.59 1iue s LEU 35 N 1.11 2.39 0.52 1.80 1.43 -1.26 -5.07 118.68 119.60 1iue s LEU 35 Ca 0.65 -0.80 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 1iue s LEU 35 Cb -0.38 -0.68 -0.06 0.00 0.03 0.00 0.00 46.19 45.10 1iue s LEU 35 CO 0.30 -0.08 1.14 -2.16 0.23 0.00 0.00 176.35 175.79 1iue s PRO 36 N -2.55 3.44 -0.06 1.29 0.04 -1.26 -5.03 135.00 130.87 1iue s PRO 36 Ca 0.10 1.67 -0.32 0.00 0.04 0.00 0.00 61.00 62.49 1iue s PRO 36 Cb -0.06 -2.11 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1iue s PRO 36 CO 0.04 -0.79 1.26 1.52 0.04 0.00 0.00 177.00 179.07 1iue s TYR 37 N -1.70 -0.07 0.00 0.56 1.13 -1.26 -3.81 117.35 112.20 1iue s TYR 37 Ca 0.71 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.34 1iue s TYR 37 Cb -0.26 0.54 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1iue s TYR 37 CO 0.29 -0.27 0.00 -1.13 -2.51 0.00 0.00 175.55 171.94 1iue n SER 38 N -0.37 0.00 0.09 -0.18 3.41 -1.26 -4.88 113.62 110.43 1iue n SER 38 Ca -0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.52 1iue n SER 38 Cb 0.61 0.16 0.19 0.00 -0.26 0.00 0.00 64.21 64.91 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 -3.96 -1.55 -0.00 0.00 1.74 -1.26 -4.81 116.66 106.83 1iue n ARG 40 Ca -0.02 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 1iue n ARG 40 Cb 0.54 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 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 -0.15 -0.95 1.49 -0.13 0.00 -1.26 -4.86 105.19 99.33 1iue n GLY 41 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.03 0.76 0.93 -0.02 0.00 -1.26 -4.85 105.19 100.72 1iue n GLY 42 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 3.02 -2.50 1.61 3.41 -1.26 -0.66 113.62 117.25 1iue n SER 43 Ca 0.00 -1.90 -0.09 0.00 -0.26 0.00 0.00 58.87 56.63 1iue n SER 43 Cb 0.00 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.50 1.08 -0.30 0.00 3.41 -1.26 -4.75 113.62 110.30 1iue n SER 45 Ca -0.04 -1.04 0.07 0.00 -0.26 0.00 0.00 58.87 57.60 1iue n SER 45 Cb 0.19 0.69 0.22 0.00 -0.26 0.00 0.00 64.21 65.05 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 0.87 0.75 -0.39 6.66 2.02 -1.94 -2.43 112.91 118.44 1iue h THR 46 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1iue h THR 46 Cb 0.39 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1iue h THR 46 CO 0.00 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1iue n ALA 48 N 0.63 -0.76 -2.41 0.00 0.00 -0.92 -3.52 120.51 113.54 1iue n ALA 48 Ca 0.14 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 1iue n ALA 48 Cb 0.40 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 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 -0.47 1.35 -0.05 0.00 0.00 0.33 -2.02 121.76 120.89 1iue s ALA 49 Ca 0.69 -1.80 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1iue s ALA 49 Cb -0.82 1.38 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1iue s ALA 49 CO 0.55 -0.67 -0.09 0.21 0.00 0.00 0.00 175.76 175.76 1iue s LYS 50 N -3.63 1.26 -0.41 0.00 2.20 0.06 -1.03 119.74 118.19 1iue s LYS 50 Ca 0.37 -0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 1iue s LYS 50 Cb 0.03 -1.11 0.02 0.00 -1.51 0.00 0.00 37.83 35.26 1iue s LYS 50 CO 0.21 -0.01 1.03 -1.17 -0.36 0.00 0.00 175.35 175.05 1iue s LEU 51 N 0.73 3.86 -0.09 5.43 2.96 0.51 -0.96 118.68 131.12 1iue s LEU 51 Ca -0.13 0.58 -0.14 0.00 -0.22 0.00 0.00 54.13 54.22 1iue s LEU 51 Cb -0.15 -3.42 -0.28 0.00 0.50 0.00 0.00 46.19 42.85 1iue s LEU 51 CO 0.02 -1.03 0.56 0.58 -1.32 0.00 0.00 176.35 175.17 1iue h VAL 52 N 5.98 0.98 -2.53 1.68 2.07 -1.23 -3.47 116.25 119.73 1iue h VAL 52 Ca -0.23 -2.42 -0.09 0.00 0.82 0.00 0.00 66.70 64.78 1iue h VAL 52 Cb 1.07 2.71 -0.21 0.00 -1.52 0.00 0.00 31.29 33.33 1iue h VAL 52 CO 1.05 0.75 -0.09 -0.70 0.02 0.00 0.00 177.57 178.60 1iue s GLU 53 N -2.50 0.72 0.00 1.57 2.12 -1.04 -4.97 118.70 114.61 1iue s GLU 53 Ca -0.19 0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1iue s GLU 53 Cb 0.05 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1iue s GLU 53 CO 0.78 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 1iue n GLY 54 N 1.95 0.97 3.42 -1.50 0.00 -1.26 -1.12 105.19 107.64 1iue n GLY 54 Ca -0.17 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.19 1.95 0.17 1.61 0.41 -1.26 -5.03 118.70 115.37 1iue s GLU 55 Ca 0.00 -1.04 -0.04 0.00 -0.41 0.00 0.00 54.97 53.48 1iue s GLU 55 Cb 0.00 -2.11 -0.03 0.00 -1.78 0.00 0.00 34.13 30.21 1iue s GLU 55 CO 0.00 0.53 0.18 0.14 -0.49 0.00 0.00 175.26 175.62 1iue s VAL 56 N -0.89 0.05 -0.32 2.63 -7.23 -1.26 -0.57 120.40 112.80 1iue s VAL 56 Ca 0.14 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1iue s VAL 56 Cb -0.10 -2.17 0.10 0.00 0.56 0.00 0.00 36.38 34.77 1iue s VAL 56 CO 0.04 -0.22 0.08 -0.62 -0.31 0.00 0.00 175.10 174.08 1iue s ASP 57 N -3.06 4.25 -0.22 4.85 -1.08 0.35 -4.83 116.67 116.93 1iue s ASP 57 Ca 0.27 -1.79 0.14 0.00 -0.52 0.00 0.00 52.55 50.65 1iue s ASP 57 Cb 0.05 -1.10 0.47 0.00 -1.46 0.00 0.00 42.92 40.88 1iue s ASP 57 CO 0.06 -0.40 1.37 -3.20 0.52 0.00 0.00 175.17 173.51 1iue n ASN 58 N 4.66 2.85 0.20 -0.34 4.05 -1.26 -0.97 115.26 124.45 1iue n ASN 58 Ca -0.00 -3.41 0.14 0.00 0.45 0.00 0.00 54.58 51.76 1iue n ASN 58 Cb 0.42 -0.56 0.69 0.00 1.23 0.00 0.00 39.78 41.56 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 1.08 0.00 0.88 1.20 3.32 -1.93 -1.58 116.42 119.39 1iue h ASP 59 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1iue h ASP 59 Cb 1.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1iue h ASP 59 CO 0.22 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.21 1iue n ASP 60 N -2.48 0.14 -4.84 6.45 8.00 -1.26 -4.80 116.55 117.76 1iue n ASP 60 Ca -0.01 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 1iue n ASP 60 Cb 0.12 -0.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.73 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 -3.03 2.43 0.00 -1.24 1.03 -0.60 -4.79 119.66 113.46 1iue s GLN 61 Ca 0.11 0.57 0.00 0.00 0.04 0.00 0.00 55.36 56.08 1iue s GLN 61 Cb 0.15 -1.96 0.00 0.00 0.03 0.00 0.00 33.01 31.22 1iue s GLN 61 CO 0.45 -1.36 0.00 -1.13 -2.54 0.00 0.00 175.29 170.70 1iue n SER 62 N -3.25 0.00 0.00 12.60 3.41 0.17 -4.95 113.62 121.61 1iue n SER 62 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.51 1iue n SER 62 Cb 0.57 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.36 -3.79 7.33 5.03 -1.65 -3.46 116.97 120.78 1iue h TYR 63 Ca 0.00 -0.24 -0.52 0.00 2.58 0.00 0.00 58.73 60.54 1iue h TYR 63 Cb 0.00 -0.02 0.06 0.00 1.55 0.00 0.00 36.73 38.32 1iue h TYR 63 CO 0.00 1.16 0.66 -0.51 -1.32 0.00 0.00 178.16 178.15 1iue s LEU 64 N -8.10 4.41 0.60 2.82 1.43 -1.26 -5.03 118.68 113.55 1iue s LEU 64 Ca -0.15 2.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1iue s LEU 64 Cb -0.00 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.63 1iue s LEU 64 CO 0.78 -0.58 0.84 1.51 0.23 0.00 0.00 176.35 179.13 1iue s ASP 65 N -0.31 5.04 0.34 2.29 1.47 -1.26 -4.88 116.67 119.36 1iue s ASP 65 Ca 0.51 -0.07 0.06 0.00 1.18 0.00 0.00 52.55 54.24 1iue s ASP 65 Cb -0.40 -0.69 0.73 0.00 -0.34 0.00 0.00 42.92 42.22 1iue s ASP 65 CO 0.52 -1.34 1.90 -0.08 0.68 0.00 0.00 175.17 176.85 1iue h GLU 66 N -0.11 0.76 -0.61 2.11 4.57 -1.99 -0.97 114.58 118.34 1iue h GLU 66 Ca -0.41 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 1iue h GLU 66 Cb 1.29 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1iue h GLU 66 CO 0.50 0.50 0.28 1.49 -1.18 0.00 0.00 179.01 180.60 1iue h GLU 67 N 0.78 0.89 -0.24 1.92 4.81 -1.99 0.42 114.58 121.18 1iue h GLU 67 Ca 0.40 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 59.33 1iue h GLU 67 Cb 0.50 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1iue h GLU 67 CO -0.17 0.73 -0.50 1.96 -0.73 0.00 0.00 179.01 180.30 1iue h GLN 68 N 0.84 0.67 -0.48 1.92 4.20 -1.74 -2.50 115.11 118.03 1iue h GLN 68 Ca 0.21 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1iue h GLN 68 Cb 0.14 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1iue h GLN 68 CO -0.02 1.01 0.05 0.82 -0.67 0.00 0.00 178.83 180.02 1iue h ILE 69 N 0.53 1.25 -0.10 2.54 2.04 -0.95 -2.10 117.51 120.72 1iue h ILE 69 Ca 0.02 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1iue h ILE 69 Cb 1.05 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1iue h ILE 69 CO 0.10 0.34 0.03 0.50 0.00 0.00 0.00 178.15 179.12 1iue h LYS 70 N 0.67 0.13 -0.33 2.37 1.63 -0.82 0.43 116.57 120.65 1iue h LYS 70 Ca 0.14 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1iue h LYS 70 Cb 0.44 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1iue h LYS 70 CO 0.01 0.12 0.00 1.63 -3.45 0.00 0.00 179.45 177.76 1iue n LYS 71 N -4.49 1.22 -1.16 1.90 5.02 -0.83 -4.88 118.16 114.94 1iue n LYS 71 Ca -0.01 -0.26 -0.06 0.00 -2.02 0.00 0.00 58.31 55.95 1iue n LYS 71 Cb 0.11 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1iue n LYS 71 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iue n LYS 72 N -0.19 -0.51 -2.91 1.97 4.76 0.14 -4.90 118.16 116.53 1iue n LYS 72 Ca 0.02 0.64 -0.36 0.00 -2.87 0.00 0.00 58.31 55.75 1iue n LYS 72 Cb 0.14 -4.38 -0.06 0.00 -1.84 0.00 0.00 35.03 28.89 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 -2.15 3.58 0.02 2.13 1.51 -0.96 -0.36 117.35 121.12 1iue s TYR 73 Ca 0.00 1.59 -0.05 0.00 -1.01 0.00 0.00 57.07 57.60 1iue s TYR 73 Cb 0.00 -2.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.05 1iue s TYR 73 CO 0.00 0.18 0.10 0.96 -1.11 0.00 0.00 175.55 175.67 1iue s ILE 74 N -1.72 0.11 -0.39 2.71 -0.00 -0.20 -4.55 121.20 117.17 1iue s ILE 74 Ca 0.51 -0.94 -0.10 0.00 -0.00 0.00 0.00 60.65 60.12 1iue s ILE 74 Cb -0.16 -0.66 0.04 0.00 -0.00 0.00 0.00 42.46 41.68 1iue s ILE 74 CO 0.20 -0.52 0.22 -0.76 -0.00 0.00 0.00 174.94 174.09 1iue s LEU 75 N -1.80 4.84 0.60 0.37 1.43 -1.26 -0.51 118.68 122.35 1iue s LEU 75 Ca -0.10 -1.16 0.31 0.00 -1.03 0.00 0.00 54.13 52.15 1iue s LEU 75 Cb -0.04 -2.01 1.86 0.00 0.03 0.00 0.00 46.19 46.03 1iue s LEU 75 CO -0.02 -0.43 2.25 -0.07 0.23 0.00 0.00 176.35 178.31 1iue h LEU 76 N 8.43 0.00 -1.15 1.79 3.38 -1.93 -2.19 115.31 123.65 1iue h LEU 76 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1iue h LEU 76 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1iue h LEU 76 CO 0.70 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1iue n THR 78 N -2.60 0.58 -4.26 0.00 -2.24 -0.85 -4.85 114.28 100.05 1iue n THR 78 Ca 0.01 -1.55 -0.34 0.00 -2.27 0.00 0.00 64.05 59.90 1iue n THR 78 Cb 0.24 0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.99 3.62 0.15 0.00 1.51 -0.14 -1.16 117.35 122.32 1iue s TYR 80 Ca -0.01 0.63 -0.20 0.00 -1.01 0.00 0.00 57.07 56.48 1iue s TYR 80 Cb -0.15 -2.04 -0.08 0.00 -0.11 0.00 0.00 41.96 39.59 1iue s TYR 80 CO -0.01 0.69 0.67 -1.25 -1.11 0.00 0.00 175.55 174.54 1iue s PRO 81 N -0.95 4.29 -0.04 -1.71 0.04 -1.26 -0.50 135.00 134.87 1iue s PRO 81 Ca 0.17 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.13 1iue s PRO 81 Cb -0.13 -3.10 0.08 0.00 0.04 0.00 0.00 34.50 31.39 1iue s PRO 81 CO 0.06 0.53 1.01 1.63 0.04 0.00 0.00 177.00 180.26 1iue n LYS 82 N 1.28 2.18 -3.84 4.56 4.76 0.26 -4.33 118.16 123.04 1iue n LYS 82 Ca -0.06 -1.71 0.04 0.00 -2.87 0.00 0.00 58.31 53.71 1iue n LYS 82 Cb 0.50 -1.09 0.01 0.00 -1.84 0.00 0.00 35.03 32.61 1iue n LYS 82 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1iue s SER 83 N -1.46 -0.00 0.40 4.39 1.04 -1.19 -4.77 113.70 112.11 1iue s SER 83 Ca 0.09 -0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.24 1iue s SER 83 Cb 0.08 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 66.12 1iue s SER 83 CO 0.01 -0.02 1.39 -1.81 0.98 0.00 0.00 173.24 173.79 1iue s ASP 84 N -3.57 6.23 0.08 7.02 -0.00 -1.26 -4.64 116.67 120.53 1iue s ASP 84 Ca 0.25 2.85 0.03 0.00 -0.00 0.00 0.00 52.55 55.68 1iue s ASP 84 Cb 0.03 -2.65 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 1iue s ASP 84 CO -0.04 -0.93 -0.10 0.00 -0.00 0.00 0.00 175.17 174.10 1iue s VAL 86 N -2.09 2.04 -0.04 0.00 1.01 -0.28 0.14 120.40 121.19 1iue s VAL 86 Ca 0.01 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1iue s VAL 86 Cb -0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1iue s VAL 86 CO 0.00 0.14 -0.21 -0.63 0.00 0.00 0.00 175.10 174.40 1iue s ILE 87 N 1.20 1.70 -0.23 2.22 1.01 0.47 -0.69 121.20 126.88 1iue s ILE 87 Ca -0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1iue s ILE 87 Cb -0.18 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1iue s ILE 87 CO -0.07 0.48 0.27 -1.61 0.00 0.00 0.00 174.94 174.00 1iue s GLU 88 N -0.18 4.09 0.64 2.79 2.02 -0.13 -0.21 118.70 127.71 1iue s GLU 88 Ca -0.00 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 54.96 1iue s GLU 88 Cb -0.11 -3.56 0.10 0.00 0.10 0.00 0.00 34.13 30.66 1iue s GLU 88 CO 0.02 -0.03 0.88 0.95 0.02 0.00 0.00 175.26 177.10 1iue s THR 89 N 1.30 2.16 -1.32 3.63 -4.23 -0.57 -0.76 115.64 115.85 1iue s THR 89 Ca 0.12 -0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1iue s THR 89 Cb -0.14 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1iue s THR 89 CO 0.07 0.00 0.69 1.41 -0.54 0.00 0.00 174.62 176.24 1iue n HIS 90 N -2.51 -1.90 -0.61 3.99 8.25 -1.24 -4.73 115.22 116.47 1iue n HIS 90 Ca 0.15 0.84 0.08 0.00 -0.26 0.00 0.00 57.72 58.53 1iue n HIS 90 Cb 0.61 -4.35 0.29 0.00 1.12 0.00 0.00 29.99 27.67 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 -4.29 3.40 -0.14 -0.41 4.76 -0.86 -4.64 118.16 115.99 1iue n LYS 91 Ca -0.29 -2.71 -0.05 0.00 -2.87 0.00 0.00 58.31 52.39 1iue n LYS 91 Cb 0.68 -1.75 0.04 0.00 -1.84 0.00 0.00 35.03 32.15 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 3.15 0.38 -0.42 1.97 4.81 -1.82 -0.31 114.58 122.33 1iue h GLU 92 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1iue h GLU 92 Cb 1.31 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1iue h GLU 92 CO 0.18 0.25 0.14 -0.44 -0.73 0.00 0.00 179.01 178.41 1iue h ASP 93 N 0.39 0.61 -0.66 1.04 3.32 -1.93 0.13 116.42 119.32 1iue h ASP 93 Ca 0.21 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.11 1iue h ASP 93 Cb 0.17 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 1iue h ASP 93 CO -0.18 0.64 0.39 -0.08 -1.72 0.00 0.00 179.24 178.29 1iue h GLU 94 N 0.54 0.72 -0.05 3.56 4.81 -1.79 0.45 114.58 122.81 1iue h GLU 94 Ca 0.14 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1iue h GLU 94 Cb 0.25 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1iue h GLU 94 CO -0.01 0.47 0.03 1.25 -0.73 0.00 0.00 179.01 180.03 1iue h LEU 95 N 0.74 0.07 -0.87 1.64 6.46 -0.73 -2.77 115.31 119.85 1iue h LEU 95 Ca 0.28 -0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 1iue h LEU 95 Cb 0.11 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1iue h LEU 95 CO -0.15 0.11 0.55 -0.74 -0.62 0.00 0.00 178.44 177.59 1iue h HIS 96 N 0.02 1.03 -0.86 1.25 2.76 0.28 -2.90 115.15 116.73 1iue h HIS 96 Ca 0.02 0.03 -0.57 0.00 -2.20 0.00 0.00 60.37 57.65 1iue h HIS 96 Cb 0.06 -0.34 -0.25 0.00 1.55 0.00 0.00 27.41 28.43 1iue h HIS 96 CO -0.05 0.57 0.73 -0.25 -1.30 0.00 0.00 177.93 177.63 1iue n ASP 97 N -4.57 6.97 0.00 3.26 8.00 0.15 -5.08 116.55 125.28 1iue n ASP 97 Ca 0.11 -3.57 0.09 0.00 0.71 0.00 0.00 54.79 52.14 1iue n ASP 97 Cb 0.12 -0.98 0.56 0.00 -0.02 0.00 0.00 41.12 40.80 1iue n ASP 97 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04