#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ob1 s ILE 2 N 0.00 0.47 0.06 2.41 -5.25 -1.26 -5.11 121.20 112.52 1ob1 s ILE 2 Ca 0.00 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.67 1ob1 s ILE 2 Cb 0.00 -2.53 -0.03 0.00 2.95 0.00 0.00 42.46 42.84 1ob1 s ILE 2 CO 0.00 0.00 -0.05 -0.55 -1.79 0.00 0.00 174.94 172.55 1ob1 s SER 3 N -3.41 0.71 0.31 4.36 0.15 -1.26 -4.98 113.70 109.59 1ob1 s SER 3 Ca 0.34 -0.85 0.08 0.00 0.70 0.00 0.00 55.95 56.23 1ob1 s SER 3 Cb 0.05 0.13 0.88 0.00 -1.71 0.00 0.00 66.02 65.37 1ob1 s SER 3 CO 0.16 -0.45 1.68 1.56 1.20 0.00 0.00 173.24 177.40 1ob1 h GLN 4 N 3.54 0.36 -0.68 5.44 4.20 -2.00 1.06 115.11 127.02 1ob1 h GLN 4 Ca -0.34 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1ob1 h GLN 4 Cb 1.17 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1ob1 h GLN 4 CO 0.58 0.24 0.00 0.72 -0.67 0.00 0.00 178.83 179.69 1ob1 n HIS 5 N -5.06 1.20 -2.69 2.96 8.25 -1.26 -4.76 115.22 113.86 1ob1 n HIS 5 Ca 0.26 -0.43 -0.43 0.00 -0.26 0.00 0.00 57.72 56.86 1ob1 n HIS 5 Cb 0.79 -0.29 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1ob1 n HIS 5 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ob1 s GLN 6 N -1.98 4.29 0.38 -0.41 2.00 0.37 -2.51 119.66 121.80 1ob1 s GLN 6 Ca 0.34 1.33 -0.26 0.00 -2.00 0.00 0.00 55.36 54.78 1ob1 s GLN 6 Cb 0.25 -3.62 -0.09 0.00 0.80 0.00 0.00 33.01 30.35 1ob1 s GLN 6 CO 0.12 -0.55 1.15 0.00 -0.50 0.00 0.00 175.29 175.52 1ob1 n VAL 8 N 0.19 1.12 1.71 0.00 0.31 -1.26 -4.88 118.33 115.53 1ob1 n VAL 8 Ca 0.04 0.37 0.15 0.00 -0.01 0.00 0.00 64.34 64.89 1ob1 n VAL 8 Cb 0.47 -1.50 0.83 0.00 -0.91 0.00 0.00 33.84 32.72 1ob1 n VAL 8 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ob1 n LYS 9 N -3.47 0.79 -4.79 5.55 2.85 -1.26 -4.86 118.16 112.97 1ob1 n LYS 9 Ca 0.00 -0.07 -0.27 0.00 -1.05 0.00 0.00 58.31 56.93 1ob1 n LYS 9 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.74 1ob1 n LYS 9 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1ob1 s LYS 10 N -2.25 1.52 -0.67 -1.58 2.20 -1.26 -5.07 119.74 112.63 1ob1 s LYS 10 Ca 0.39 -0.90 0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1ob1 s LYS 10 Cb 0.21 -1.59 0.16 0.00 -1.51 0.00 0.00 37.83 35.10 1ob1 s LYS 10 CO 0.41 0.42 0.46 -1.14 -0.36 0.00 0.00 175.35 175.14 1ob1 s GLN 11 N -0.97 2.48 0.99 4.03 0.74 -1.26 -5.03 119.66 120.64 1ob1 s GLN 11 Ca 0.08 -2.95 -0.11 0.00 0.05 0.00 0.00 55.36 52.43 1ob1 s GLN 11 Cb -0.09 -3.55 0.19 0.00 1.10 0.00 0.00 33.01 30.66 1ob1 s GLN 11 CO 0.01 -1.20 1.10 0.00 -0.55 0.00 0.00 175.29 174.65 1ob1 s PRO 13 N -4.61 -1.82 0.27 0.00 0.02 -1.26 -4.96 135.00 122.64 1ob1 s PRO 13 Ca 0.67 0.45 -0.29 0.00 0.02 0.00 0.00 61.00 61.84 1ob1 s PRO 13 Cb -0.23 -1.48 -0.09 0.00 0.02 0.00 0.00 34.50 32.72 1ob1 s PRO 13 CO 0.60 -4.22 1.02 -1.14 -0.33 0.00 0.00 177.00 172.93 1ob1 s GLN 14 N -4.80 4.72 -0.26 5.54 0.74 -1.26 -3.25 119.66 121.10 1ob1 s GLN 14 Ca 0.69 1.65 0.00 0.00 0.05 0.00 0.00 55.36 57.74 1ob1 s GLN 14 Cb -0.19 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1ob1 s GLN 14 CO 0.61 0.34 0.00 0.09 -0.55 0.00 0.00 175.29 175.78 1ob1 n ASN 15 N 1.27 -2.36 -4.10 6.67 3.02 -1.26 -3.77 115.26 114.73 1ob1 n ASN 15 Ca -0.01 0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.48 1ob1 n ASN 15 Cb 0.46 -1.07 -0.10 0.00 -0.61 0.00 0.00 39.78 38.46 1ob1 n ASN 15 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ob1 s SER 16 N -2.92 0.67 0.25 6.41 1.04 -1.20 -1.13 113.70 116.82 1ob1 s SER 16 Ca 0.00 -0.95 0.10 0.00 0.48 0.00 0.00 55.95 55.58 1ob1 s SER 16 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1ob1 s SER 16 CO 0.00 -0.53 -0.06 -0.83 0.98 0.00 0.00 173.24 172.80 1ob1 s GLY 17 N -2.81 1.71 -0.11 7.32 0.00 0.12 -4.83 107.32 108.72 1ob1 s GLY 17 Ca 0.06 -1.65 0.03 0.00 0.00 0.00 0.00 44.72 43.16 1ob1 s GLY 17 CO -0.08 -1.71 -0.23 0.00 0.00 0.00 0.00 173.10 171.08 1ob1 s PHE 19 N 0.51 2.84 -0.28 0.00 2.19 0.87 -4.47 117.98 119.66 1ob1 s PHE 19 Ca -0.15 -0.39 -0.09 0.00 0.33 0.00 0.00 56.93 56.63 1ob1 s PHE 19 Cb -0.17 -1.80 -0.02 0.00 -1.31 0.00 0.00 43.02 39.71 1ob1 s PHE 19 CO 0.05 -0.02 0.12 0.50 1.83 0.00 0.00 175.22 177.70 1ob1 s ARG 20 N -0.03 3.59 0.89 10.12 3.52 -1.05 -0.66 118.95 135.34 1ob1 s ARG 20 Ca -0.02 -0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 54.92 1ob1 s ARG 20 Cb -0.14 -3.47 0.16 0.00 -1.56 0.00 0.00 34.95 29.95 1ob1 s ARG 20 CO 0.04 -0.27 1.24 -1.01 -0.81 0.00 0.00 175.30 174.49 1ob1 s HIS 21 N 1.64 1.91 -0.29 5.12 3.76 -1.22 -4.02 115.29 122.19 1ob1 s HIS 21 Ca 0.06 0.33 0.20 0.00 -0.15 0.00 0.00 55.06 55.49 1ob1 s HIS 21 Cb -0.16 -3.82 0.16 0.00 1.11 0.00 0.00 32.58 29.88 1ob1 s HIS 21 CO 0.06 -2.31 1.42 -0.07 -0.85 0.00 0.00 174.74 172.99 1ob1 h LEU 22 N -1.34 0.00 -0.48 0.89 3.38 -1.89 -3.13 115.31 112.73 1ob1 h LEU 22 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ob1 h LEU 22 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ob1 h LEU 22 CO 0.44 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 1ob1 n ASP 23 N -3.08 0.41 0.00 -0.43 5.68 -1.26 -4.80 116.55 113.07 1ob1 n ASP 23 Ca 0.02 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1ob1 n ASP 23 Cb 0.63 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1ob1 n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ob1 n GLU 24 N -0.22 -0.37 -0.74 0.11 -0.58 -1.18 -5.02 120.64 112.64 1ob1 n GLU 24 Ca 0.00 0.09 -0.21 0.00 -0.42 0.00 0.00 57.16 56.62 1ob1 n GLU 24 Cb 0.10 -3.42 0.18 0.00 -0.57 0.00 0.00 31.44 27.73 1ob1 n GLU 24 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ob1 n ARG 25 N -1.84 -2.52 -3.63 3.49 1.74 -1.26 -4.90 116.66 107.74 1ob1 n ARG 25 Ca 0.00 -1.24 -0.01 0.00 -0.77 0.00 0.00 57.85 55.83 1ob1 n ARG 25 Cb 0.09 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1ob1 n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ob1 s GLU 26 N -4.76 0.56 -0.02 5.56 2.12 -1.26 -3.39 118.70 117.51 1ob1 s GLU 26 Ca 0.50 1.41 0.07 0.00 0.36 0.00 0.00 54.97 57.31 1ob1 s GLU 26 Cb -0.05 0.85 -0.02 0.00 0.26 0.00 0.00 34.13 35.18 1ob1 s GLU 26 CO 0.39 -0.20 -0.23 -2.00 -0.54 0.00 0.00 175.26 172.68 1ob1 s GLU 27 N 2.88 1.92 0.12 4.30 2.12 0.17 -4.96 118.70 125.25 1ob1 s GLU 27 Ca -0.05 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 1ob1 s GLU 27 Cb -0.12 -1.82 -0.05 0.00 0.26 0.00 0.00 34.13 32.41 1ob1 s GLU 27 CO -0.19 0.47 0.31 0.00 -0.54 0.00 0.00 175.26 175.31 1ob1 s LYS 29 N -2.66 0.62 0.46 0.00 1.02 -0.33 -4.98 119.74 113.88 1ob1 s LYS 29 Ca 0.39 0.61 -0.23 0.00 0.02 0.00 0.00 55.97 56.75 1ob1 s LYS 29 Cb -0.12 0.30 -0.07 0.00 -0.52 0.00 0.00 37.83 37.42 1ob1 s LYS 29 CO 0.26 -0.09 1.19 0.00 -0.92 0.00 0.00 175.35 175.78 1ob1 s LEU 31 N -3.04 2.51 0.43 0.00 1.43 -0.28 -4.73 118.68 115.00 1ob1 s LEU 31 Ca 0.64 1.59 -0.25 0.00 -1.03 0.00 0.00 54.13 55.08 1ob1 s LEU 31 Cb -0.30 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 41.72 1ob1 s LEU 31 CO 0.36 -2.44 1.30 0.18 0.23 0.00 0.00 176.35 175.98 1ob1 n LEU 32 N -3.76 4.25 -0.33 1.79 4.32 -1.26 -1.88 117.00 120.13 1ob1 n LEU 32 Ca 0.08 1.10 -0.04 0.00 -0.02 0.00 0.00 56.01 57.13 1ob1 n LEU 32 Cb 0.55 -1.52 -0.02 0.00 -1.62 0.00 0.00 43.42 40.81 1ob1 n LEU 32 CO 0.55 -0.58 -0.04 0.59 -1.22 0.00 0.00 177.39 176.69 1ob1 n ASN 33 N 0.09 -4.39 -4.20 -1.43 4.13 -1.26 -4.99 115.26 103.21 1ob1 n ASN 33 Ca 0.07 0.11 -0.25 0.00 1.68 0.00 0.00 54.58 56.19 1ob1 n ASN 33 Cb 0.40 -2.26 -0.15 0.00 -1.54 0.00 0.00 39.78 36.23 1ob1 n ASN 33 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1ob1 s TYR 34 N -1.86 1.64 0.12 3.10 1.51 -0.79 0.95 117.35 122.01 1ob1 s TYR 34 Ca 0.00 -0.34 0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1ob1 s TYR 34 Cb 0.00 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1ob1 s TYR 34 CO 0.00 0.03 -0.23 -1.59 -1.11 0.00 0.00 175.55 172.65 1ob1 s LYS 35 N -0.84 1.26 -0.11 -0.62 -2.85 0.72 -4.60 119.74 112.70 1ob1 s LYS 35 Ca 0.06 -1.26 -0.30 0.00 -1.00 0.00 0.00 55.97 53.48 1ob1 s LYS 35 Cb -0.08 -1.61 -0.03 0.00 -2.06 0.00 0.00 37.83 34.05 1ob1 s LYS 35 CO 0.01 0.37 1.39 -1.14 0.10 0.00 0.00 175.35 176.08 1ob1 s GLN 36 N -2.04 4.23 -0.41 1.78 0.74 -1.26 -0.77 119.66 121.94 1ob1 s GLN 36 Ca 0.10 1.85 0.01 0.00 0.05 0.00 0.00 55.36 57.38 1ob1 s GLN 36 Cb -0.10 -3.79 0.13 0.00 1.10 0.00 0.00 33.01 30.35 1ob1 s GLN 36 CO 0.05 -0.71 0.20 -2.00 -0.55 0.00 0.00 175.29 172.28 1ob1 s GLU 37 N 3.43 1.14 6.35 1.67 2.12 0.16 -4.97 118.70 128.59 1ob1 s GLU 37 Ca 0.61 -1.78 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1ob1 s GLU 37 Cb -0.26 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1ob1 s GLU 37 CO 0.21 -1.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.22 1ob1 n GLY 38 N 3.85 0.81 1.92 -1.50 0.00 -1.26 -2.96 105.19 106.05 1ob1 n GLY 38 Ca 0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.47 1ob1 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ob1 n ASP 39 N 6.82 5.11 -4.22 1.61 9.92 -1.26 -4.94 116.55 129.59 1ob1 n ASP 39 Ca 0.00 -3.05 -0.13 0.00 -0.53 0.00 0.00 54.79 51.09 1ob1 n ASP 39 Cb 0.00 -0.71 -0.10 0.00 -0.64 0.00 0.00 41.12 39.66 1ob1 n ASP 39 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ob1 s LYS 40 N -2.80 1.05 0.06 -1.24 1.02 -1.16 -4.83 119.74 111.85 1ob1 s LYS 40 Ca 0.53 -1.49 0.03 0.00 0.02 0.00 0.00 55.97 55.05 1ob1 s LYS 40 Cb 0.41 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1ob1 s LYS 40 CO 0.14 -0.12 0.03 0.00 -0.92 0.00 0.00 175.35 174.48 1ob1 n VAL 42 N 0.74 0.00 -2.68 0.00 3.14 0.05 -4.80 118.33 114.79 1ob1 n VAL 42 Ca -0.11 -1.56 -0.39 0.00 -2.96 0.00 0.00 64.34 59.32 1ob1 n VAL 42 Cb 0.52 0.85 -0.06 0.00 -1.06 0.00 0.00 33.84 34.09 1ob1 n VAL 42 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1ob1 s GLU 43 N -2.81 4.70 -0.42 1.45 2.02 -1.26 -0.20 118.70 122.18 1ob1 s GLU 43 Ca 0.26 1.53 0.02 0.00 0.02 0.00 0.00 54.97 56.80 1ob1 s GLU 43 Cb 0.00 -3.11 0.13 0.00 0.10 0.00 0.00 34.13 31.26 1ob1 s GLU 43 CO 0.18 0.35 0.23 1.21 0.02 0.00 0.00 175.26 177.25 1ob1 s ASN 44 N -1.22 3.57 0.63 -0.19 3.04 0.27 -4.46 114.94 116.57 1ob1 s ASN 44 Ca 0.45 -2.52 0.32 0.00 0.04 0.00 0.00 52.86 51.15 1ob1 s ASN 44 Cb -0.26 -0.94 1.78 0.00 -1.54 0.00 0.00 41.25 40.30 1ob1 s ASN 44 CO 0.32 -0.28 2.07 -0.65 -3.04 0.00 0.00 177.10 175.52 1ob1 h PRO 45 N 6.82 0.00 -2.29 0.43 0.11 -1.94 -3.23 132.00 131.90 1ob1 h PRO 45 Ca -0.01 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.48 1ob1 h PRO 45 Cb 0.94 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.65 1ob1 h PRO 45 CO 0.45 0.00 -0.40 0.09 -0.21 0.00 0.00 178.00 177.93 1ob1 n ASN 46 N -3.33 4.71 -0.24 -2.05 5.03 -1.26 -2.22 115.26 115.89 1ob1 n ASN 46 Ca 0.00 -3.62 0.05 0.00 0.87 0.00 0.00 54.58 51.88 1ob1 n ASN 46 Cb 0.33 -0.68 0.17 0.00 -1.02 0.00 0.00 39.78 38.59 1ob1 n ASN 46 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1ob1 h PRO 47 N 3.47 0.25 -4.01 3.52 0.11 -1.83 -3.49 132.00 130.04 1ob1 h PRO 47 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1ob1 h PRO 47 Cb 0.52 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1ob1 h PRO 47 CO 0.88 0.17 -0.46 2.41 -0.21 0.00 0.00 178.00 180.79 1ob1 n THR 48 N -5.16 -6.37 0.05 -1.15 -1.04 -1.26 -4.43 114.28 94.92 1ob1 n THR 48 Ca 0.13 1.57 0.04 0.00 -2.04 0.00 0.00 64.05 63.75 1ob1 n THR 48 Cb 0.44 -3.25 0.45 0.00 -1.82 0.00 0.00 70.33 66.15 1ob1 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ob1 h ASN 50 N 0.43 0.80 -3.48 0.00 -0.26 -1.94 -2.82 115.58 108.31 1ob1 h ASN 50 Ca 0.11 -0.03 -0.61 0.00 -0.56 0.00 0.00 56.30 55.21 1ob1 h ASN 50 Cb 0.01 -0.20 -0.11 0.00 -1.06 0.00 0.00 38.32 36.96 1ob1 h ASN 50 CO -0.02 0.59 0.17 -0.70 -1.06 0.00 0.00 177.43 176.42 1ob1 s GLU 51 N -6.10 4.07 -1.88 0.81 2.12 -1.06 -4.21 118.70 112.45 1ob1 s GLU 51 Ca -0.13 0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1ob1 s GLU 51 Cb 0.14 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1ob1 s GLU 51 CO 0.77 -0.45 0.00 -1.71 -0.54 0.00 0.00 175.26 173.33 1ob1 n ASN 52 N 5.77 -5.37 -2.30 -1.70 4.05 -1.26 -2.31 115.26 112.14 1ob1 n ASN 52 Ca -0.00 0.44 -0.17 0.00 0.45 0.00 0.00 54.58 55.29 1ob1 n ASN 52 Cb 0.49 -4.43 0.02 0.00 1.23 0.00 0.00 39.78 37.10 1ob1 n ASN 52 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1ob1 n ASN 53 N -1.10 -5.07 0.00 1.20 5.15 -1.07 -2.17 115.26 112.19 1ob1 n ASN 53 Ca -0.18 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1ob1 n ASN 53 Cb 0.62 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 1ob1 n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ob1 n GLY 54 N -1.30 0.27 0.00 8.20 0.00 -0.98 -0.51 105.19 110.88 1ob1 n GLY 54 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ob1 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ob1 n GLY 55 N -2.00 0.57 3.81 -0.02 0.00 -0.92 -4.63 105.19 102.00 1ob1 n GLY 55 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ob1 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ob1 n ASP 57 N -1.47 -1.83 0.22 0.00 -0.08 0.14 -4.82 116.55 108.72 1ob1 n ASP 57 Ca 0.08 0.49 0.15 0.00 -1.51 0.00 0.00 54.79 54.00 1ob1 n ASP 57 Cb 0.53 -1.17 0.64 0.00 2.34 0.00 0.00 41.12 43.46 1ob1 n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ob1 h ALA 58 N -0.76 1.00 -0.41 -1.67 0.00 -1.91 -1.92 119.26 113.60 1ob1 h ALA 58 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ob1 h ALA 58 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ob1 h ALA 58 CO 0.39 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 1ob1 n ASP 59 N -2.74 4.11 -4.54 0.00 10.43 -1.26 -4.97 116.55 117.58 1ob1 n ASP 59 Ca 0.01 -2.65 -0.31 0.00 2.57 0.00 0.00 54.79 54.40 1ob1 n ASP 59 Cb 0.25 -0.50 -0.11 0.00 1.84 0.00 0.00 41.12 42.60 1ob1 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ob1 s ALA 60 N -2.20 2.86 0.03 2.24 0.00 -0.72 -2.18 121.76 121.79 1ob1 s ALA 60 Ca 0.42 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1ob1 s ALA 60 Cb 0.30 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1ob1 s ALA 60 CO 0.15 0.61 0.74 0.21 0.00 0.00 0.00 175.76 177.46 1ob1 s LYS 61 N -1.62 4.46 -0.21 0.00 2.47 0.16 -4.76 119.74 120.25 1ob1 s LYS 61 Ca 0.17 1.00 -0.04 0.00 -1.56 0.00 0.00 55.97 55.55 1ob1 s LYS 61 Cb -0.11 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 32.88 1ob1 s LYS 61 CO 0.08 0.28 -0.04 0.00 0.16 0.00 0.00 175.35 175.84 1ob1 s THR 63 N 1.35 2.51 -0.05 0.00 -4.23 -0.56 -4.96 115.64 109.70 1ob1 s THR 63 Ca 0.04 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1ob1 s THR 63 Cb -0.14 -2.22 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1ob1 s THR 63 CO -0.02 -0.14 -0.13 -1.83 -0.54 0.00 0.00 174.62 171.97 1ob1 s GLU 64 N -2.77 1.50 -0.03 3.99 -1.05 -1.26 -1.15 118.70 117.92 1ob1 s GLU 64 Ca 0.22 -0.44 -0.02 0.00 -0.15 0.00 0.00 54.97 54.59 1ob1 s GLU 64 Cb -0.08 -1.29 -0.04 0.00 -0.44 0.00 0.00 34.13 32.28 1ob1 s GLU 64 CO 0.11 0.12 0.08 -1.21 0.95 0.00 0.00 175.26 175.31 1ob1 s GLU 65 N 0.34 3.12 0.05 -4.83 2.02 -0.83 -4.94 118.70 113.64 1ob1 s GLU 65 Ca -0.08 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.18 1ob1 s GLU 65 Cb -0.12 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.15 1ob1 s GLU 65 CO 0.02 0.67 1.22 0.34 0.02 0.00 0.00 175.26 177.53 1ob1 s ASP 66 N -1.53 7.05 -0.07 -0.19 3.68 -1.26 -0.21 116.67 124.13 1ob1 s ASP 66 Ca 0.21 2.01 -0.01 0.00 2.13 0.00 0.00 52.55 56.89 1ob1 s ASP 66 Cb -0.12 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.74 1ob1 s ASP 66 CO 0.11 -0.51 -0.02 -0.55 0.13 0.00 0.00 175.17 174.34 1ob1 s SER 67 N 1.16 5.04 0.23 -0.34 0.15 -0.33 -4.84 113.70 114.77 1ob1 s SER 67 Ca 0.59 0.07 -0.14 0.00 0.70 0.00 0.00 55.95 57.17 1ob1 s SER 67 Cb -0.29 -1.36 0.28 0.00 -1.71 0.00 0.00 66.02 62.93 1ob1 s SER 67 CO 0.28 0.36 1.58 1.23 1.20 0.00 0.00 173.24 177.89 1ob1 h GLY 68 N 5.05 0.33 -6.19 9.45 0.00 -1.96 -3.14 103.07 106.62 1ob1 h GLY 68 Ca -0.50 0.35 -0.29 0.00 0.00 0.00 0.00 47.33 46.90 1ob1 h GLY 68 CO 0.54 -0.27 1.54 1.44 0.00 0.00 0.00 176.54 179.79 1ob1 n SER 69 N -5.50 1.45 0.00 0.19 7.64 -1.26 -4.46 113.62 111.68 1ob1 n SER 69 Ca 0.10 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1ob1 n SER 69 Cb 0.40 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1ob1 n SER 69 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ob1 n ASN 70 N 6.09 0.00 -4.90 6.43 6.94 -1.19 -4.70 115.26 123.94 1ob1 n ASN 70 Ca 0.25 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.59 1ob1 n ASN 70 Cb 0.17 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 1ob1 n ASN 70 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ob1 s GLY 71 N 0.00 2.15 0.07 4.83 0.00 -1.22 -4.99 107.32 108.17 1ob1 s GLY 71 Ca 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 44.72 43.00 1ob1 s GLY 71 CO 0.00 -1.75 -0.06 0.54 0.00 0.00 0.00 173.10 171.82 1ob1 s LYS 72 N -4.22 2.35 0.22 2.90 -0.14 -0.94 -1.19 119.74 118.72 1ob1 s LYS 72 Ca 0.46 -0.90 0.08 0.00 -1.36 0.00 0.00 55.97 54.26 1ob1 s LYS 72 Cb -0.03 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1ob1 s LYS 72 CO 0.27 0.54 0.02 0.21 -0.76 0.00 0.00 175.35 175.64 1ob1 s LYS 73 N -2.03 2.43 -0.06 1.68 2.47 0.70 -4.67 119.74 120.25 1ob1 s LYS 73 Ca 0.21 -1.22 -0.03 0.00 -1.56 0.00 0.00 55.97 53.37 1ob1 s LYS 73 Cb -0.11 -2.31 0.04 0.00 -1.46 0.00 0.00 37.83 33.99 1ob1 s LYS 73 CO 0.13 0.41 0.14 -1.50 0.16 0.00 0.00 175.35 174.69 1ob1 s ILE 74 N -2.02 -0.08 -0.04 5.43 1.10 -1.26 -1.95 121.20 122.38 1ob1 s ILE 74 Ca 0.30 0.21 0.06 0.00 -0.51 0.00 0.00 60.65 60.71 1ob1 s ILE 74 Cb -0.08 -0.23 -0.01 0.00 0.15 0.00 0.00 42.46 42.29 1ob1 s ILE 74 CO 0.20 0.09 -0.23 -0.89 -2.11 0.00 0.00 174.94 172.00 1ob1 s THR 75 N 1.32 1.83 0.21 4.00 2.01 -0.30 -5.00 115.64 119.70 1ob1 s THR 75 Ca -0.07 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.05 1ob1 s THR 75 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 1ob1 s THR 75 CO -0.06 0.52 -0.06 0.00 -0.69 0.00 0.00 174.62 174.33 1ob1 s GLU 77 N -3.11 0.38 -0.40 0.00 2.12 -0.37 -4.85 118.70 112.48 1ob1 s GLU 77 Ca 0.27 1.06 -0.28 0.00 0.36 0.00 0.00 54.97 56.39 1ob1 s GLU 77 Cb -0.08 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 1ob1 s GLU 77 CO 0.17 -0.30 1.81 0.00 -0.54 0.00 0.00 175.26 176.41 1ob1 h THR 79 N 6.84 0.32 -3.98 0.00 1.35 -1.77 -3.46 112.91 112.20 1ob1 h THR 79 Ca -0.31 -1.20 -0.54 0.00 -0.55 0.00 0.00 66.41 63.80 1ob1 h THR 79 Cb 1.17 1.95 0.11 0.00 -1.73 0.00 0.00 68.15 69.64 1ob1 h THR 79 CO 1.08 0.16 0.67 -0.54 -0.25 0.00 0.00 175.52 176.64 1ob1 s LYS 80 N -3.35 3.72 0.01 4.72 3.01 -1.26 -4.91 119.74 121.69 1ob1 s LYS 80 Ca 0.04 2.33 -0.03 0.00 -1.01 0.00 0.00 55.97 57.30 1ob1 s LYS 80 Cb 0.08 -2.65 -0.01 0.00 -1.01 0.00 0.00 37.83 34.24 1ob1 s LYS 80 CO 0.65 -0.76 0.82 -2.30 0.51 0.00 0.00 175.35 174.28 1ob1 n PRO 81 N -0.18 -0.04 -3.82 -1.68 -0.02 -1.26 -3.30 135.00 124.71 1ob1 n PRO 81 Ca 0.05 0.82 -0.28 0.00 -2.02 0.00 0.00 63.50 62.07 1ob1 n PRO 81 Cb 0.43 -1.22 -0.12 0.00 -0.02 0.00 0.00 33.50 32.56 1ob1 n PRO 81 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1ob1 s ASP 82 N -3.29 4.19 -0.15 2.55 1.47 -1.26 -5.02 116.67 115.16 1ob1 s ASP 82 Ca -0.01 -3.57 -0.07 0.00 1.18 0.00 0.00 52.55 50.07 1ob1 s ASP 82 Cb 0.01 -1.42 0.06 0.00 -0.34 0.00 0.00 42.92 41.23 1ob1 s ASP 82 CO 0.06 -0.12 0.34 -0.55 0.68 0.00 0.00 175.17 175.57 1ob1 s SER 83 N -1.00 -0.32 0.23 2.11 0.15 -1.21 -4.48 113.70 109.18 1ob1 s SER 83 Ca 0.25 0.75 0.07 0.00 0.70 0.00 0.00 55.95 57.71 1ob1 s SER 83 Cb -0.07 0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1ob1 s SER 83 CO -0.14 -0.19 0.16 -0.31 1.20 0.00 0.00 173.24 173.96 1ob1 s TYR 84 N 1.56 3.09 0.18 3.44 1.51 -1.26 -4.75 117.35 121.12 1ob1 s TYR 84 Ca -0.08 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 1ob1 s TYR 84 Cb -0.10 -1.42 -0.08 0.00 -0.11 0.00 0.00 41.96 40.26 1ob1 s TYR 84 CO -0.11 0.53 1.17 -2.14 -1.11 0.00 0.00 175.55 173.89 1ob1 s PRO 85 N -3.62 4.52 -0.02 -1.71 0.02 -1.26 -2.30 135.00 130.62 1ob1 s PRO 85 Ca 0.32 1.83 0.07 0.00 0.02 0.00 0.00 61.00 63.24 1ob1 s PRO 85 Cb -0.08 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 1ob1 s PRO 85 CO 0.24 -0.05 -0.23 -0.51 -0.33 0.00 0.00 177.00 176.12 1ob1 s LEU 86 N -0.23 2.04 -1.07 -5.54 1.43 -0.30 -4.72 118.68 110.28 1ob1 s LEU 86 Ca 0.52 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.98 1ob1 s LEU 86 Cb -0.32 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ob1 s LEU 86 CO 0.36 0.27 0.65 0.49 0.23 0.00 0.00 176.35 178.35 1ob1 n PHE 87 N 2.61 -1.62 -0.98 0.29 3.01 -1.26 -1.09 117.46 118.41 1ob1 n PHE 87 Ca -0.16 0.34 -0.05 0.00 1.01 0.00 0.00 57.45 58.59 1ob1 n PHE 87 Cb 0.52 -2.77 -0.02 0.00 -0.01 0.00 0.00 39.48 37.20 1ob1 n PHE 87 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ob1 n ASP 88 N -2.32 -4.43 0.00 4.37 10.43 -1.26 -1.82 116.55 121.51 1ob1 n ASP 88 Ca -0.19 0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.30 1ob1 n ASP 88 Cb 0.61 -3.11 0.00 0.00 1.84 0.00 0.00 41.12 40.46 1ob1 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ob1 n GLY 89 N 0.42 1.11 0.34 0.44 0.00 -0.25 -4.22 105.19 103.03 1ob1 n GLY 89 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1ob1 n GLY 89 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ob1 h ILE 90 N 0.00 1.24 -3.22 -0.61 1.08 -0.51 0.44 117.51 115.94 1ob1 h ILE 90 Ca 0.00 -0.56 -0.38 0.00 -0.39 0.00 0.00 64.86 63.53 1ob1 h ILE 90 Cb 0.00 0.04 -0.14 0.00 -3.07 0.00 0.00 36.82 33.65 1ob1 h ILE 90 CO 0.00 0.26 -0.70 -0.36 -0.69 0.00 0.00 178.15 176.66 1ob1 s PHE 91 N -5.93 1.48 0.08 1.37 0.40 -1.01 -2.64 117.98 111.73 1ob1 s PHE 91 Ca -0.13 -0.77 0.08 0.00 -0.60 0.00 0.00 56.93 55.51 1ob1 s PHE 91 Cb 0.16 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 1ob1 s PHE 91 CO 0.81 0.11 -0.20 0.00 0.70 0.00 0.00 175.22 176.65 1ob1 n SER 93 N 1.35 0.10 0.00 0.00 3.41 -0.97 -4.93 113.62 112.58 1ob1 n SER 93 Ca -0.19 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1ob1 n SER 93 Cb 0.54 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ob1 n SER 93 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ob1 n HIS 94 N -2.21 0.00 0.00 7.33 -0.00 -1.26 -4.63 115.22 114.45 1ob1 n HIS 94 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1ob1 n HIS 94 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1ob1 n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ob1 n HIS 95 N -0.50 0.00 -4.28 1.57 8.25 -1.26 -5.11 115.22 113.89 1ob1 n HIS 95 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ob1 n HIS 95 Cb 0.00 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1ob1 n HIS 95 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ob1 n HIS 96 N -1.11 0.00 0.00 4.41 -0.00 -1.26 -5.17 115.22 112.10 1ob1 n HIS 96 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ob1 n HIS 96 Cb 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 1ob1 n HIS 96 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52