#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 4.76 0.02 -1.44 -5.25 -1.26 -5.08 121.20 112.96 1ob1 s ILE 2 Ca 0.00 -0.38 0.04 0.00 -0.99 0.00 0.00 60.65 59.33 1ob1 s ILE 2 Cb 0.00 -3.17 -0.02 0.00 2.95 0.00 0.00 42.46 42.22 1ob1 s ILE 2 CO 0.00 0.37 -0.13 -0.55 -1.79 0.00 0.00 174.94 172.84 1ob1 s SER 3 N -1.69 1.50 0.06 4.36 0.15 -1.26 -5.02 113.70 111.79 1ob1 s SER 3 Ca 0.22 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 1ob1 s SER 3 Cb -0.12 -0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1ob1 s SER 3 CO 0.13 0.06 0.45 0.00 1.20 0.00 0.00 173.24 175.08 1ob1 n GLN 4 N 2.19 -0.09 -0.88 5.44 6.02 -1.26 0.16 117.38 128.95 1ob1 n GLN 4 Ca -0.17 0.45 0.01 0.00 -0.01 0.00 0.00 57.00 57.28 1ob1 n GLN 4 Cb 0.55 -0.66 0.34 0.00 1.02 0.00 0.00 30.24 31.49 1ob1 n GLN 4 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ob1 n HIS 5 N -4.40 2.04 -2.43 1.08 8.25 -1.26 -4.82 115.22 113.69 1ob1 n HIS 5 Ca 0.02 -0.98 -0.42 0.00 -0.26 0.00 0.00 57.72 56.07 1ob1 n HIS 5 Cb 0.10 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.63 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 -2.90 4.31 0.46 -0.41 2.00 0.43 -1.92 119.66 121.63 1ob1 s GLN 6 Ca 0.53 1.69 -0.22 0.00 -2.00 0.00 0.00 55.36 55.36 1ob1 s GLN 6 Cb 0.42 -3.62 -0.08 0.00 0.80 0.00 0.00 33.01 30.53 1ob1 s GLN 6 CO 0.13 -0.53 1.07 0.00 -0.50 0.00 0.00 175.29 175.47 1ob1 n VAL 8 N -0.61 0.90 1.58 0.00 0.31 -1.26 -4.89 118.33 114.36 1ob1 n VAL 8 Ca 0.08 0.30 0.15 0.00 -0.01 0.00 0.00 64.34 64.86 1ob1 n VAL 8 Cb 0.51 -1.37 0.80 0.00 -0.91 0.00 0.00 33.84 32.87 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 -3.44 0.60 -4.97 5.55 2.85 -1.26 -4.87 118.16 112.61 1ob1 n LYS 9 Ca 0.00 -0.02 -0.27 0.00 -1.05 0.00 0.00 58.31 56.97 1ob1 n LYS 9 Cb 0.04 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.76 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 -2.41 1.64 -0.73 -1.58 2.20 -1.26 -5.07 119.74 112.53 1ob1 s LYS 10 Ca 0.34 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1ob1 s LYS 10 Cb 0.21 -1.60 0.18 0.00 -1.51 0.00 0.00 37.83 35.10 1ob1 s LYS 10 CO 0.44 0.44 0.55 -1.14 -0.36 0.00 0.00 175.35 175.27 1ob1 s GLN 11 N -0.55 2.71 0.97 4.03 0.74 -1.26 -5.03 119.66 121.28 1ob1 s GLN 11 Ca 0.08 -3.01 -0.11 0.00 0.05 0.00 0.00 55.36 52.37 1ob1 s GLN 11 Cb -0.08 -3.68 0.18 0.00 1.10 0.00 0.00 33.01 30.53 1ob1 s GLN 11 CO -0.01 -1.23 1.10 0.00 -0.55 0.00 0.00 175.29 174.61 1ob1 s PRO 13 N -4.65 -1.30 0.27 0.00 0.02 -1.26 -4.94 135.00 123.13 1ob1 s PRO 13 Ca 0.66 0.57 -0.30 0.00 0.02 0.00 0.00 61.00 61.96 1ob1 s PRO 13 Cb -0.22 -1.53 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 1ob1 s PRO 13 CO 0.60 -3.91 1.09 -1.14 -0.33 0.00 0.00 177.00 173.31 1ob1 s GLN 14 N -4.70 4.65 -0.45 5.54 0.74 -1.26 -3.12 119.66 121.07 1ob1 s GLN 14 Ca 0.68 1.77 0.00 0.00 0.05 0.00 0.00 55.36 57.87 1ob1 s GLN 14 Cb -0.21 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.70 1ob1 s GLN 14 CO 0.62 0.23 0.00 0.09 -0.55 0.00 0.00 175.29 175.68 1ob1 n ASN 15 N 1.31 -2.26 -4.07 6.67 3.02 -1.26 -3.81 115.26 114.85 1ob1 n ASN 15 Ca -0.01 -0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.46 1ob1 n ASN 15 Cb 0.45 -1.60 -0.10 0.00 -0.61 0.00 0.00 39.78 37.92 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 -2.77 0.39 0.20 6.41 1.04 -1.18 -1.63 113.70 116.16 1ob1 s SER 16 Ca 0.00 -1.00 0.11 0.00 0.48 0.00 0.00 55.95 55.54 1ob1 s SER 16 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1ob1 s SER 16 CO 0.00 -0.65 -0.20 -0.83 0.98 0.00 0.00 173.24 172.54 1ob1 s GLY 17 N -2.94 1.73 -0.13 7.32 0.00 0.17 -4.82 107.32 108.64 1ob1 s GLY 17 Ca 0.11 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1ob1 s GLY 17 CO -0.07 -1.66 -0.20 0.00 0.00 0.00 0.00 173.10 171.17 1ob1 s PHE 19 N 0.62 2.86 -0.28 0.00 2.19 0.65 -4.48 117.98 119.54 1ob1 s PHE 19 Ca -0.11 -0.23 -0.09 0.00 0.33 0.00 0.00 56.93 56.83 1ob1 s PHE 19 Cb -0.16 -1.76 -0.03 0.00 -1.31 0.00 0.00 43.02 39.76 1ob1 s PHE 19 CO 0.03 0.11 0.13 0.50 1.83 0.00 0.00 175.22 177.81 1ob1 s ARG 20 N -0.32 3.62 1.01 10.12 3.52 -0.81 -0.61 118.95 135.47 1ob1 s ARG 20 Ca 0.04 -0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 54.95 1ob1 s ARG 20 Cb -0.13 -3.49 0.23 0.00 -1.56 0.00 0.00 34.95 30.01 1ob1 s ARG 20 CO 0.02 -0.26 1.35 -1.01 -0.81 0.00 0.00 175.30 174.59 1ob1 s HIS 21 N 1.65 1.23 -0.19 5.12 3.76 -1.24 -4.08 115.29 121.54 1ob1 s HIS 21 Ca 0.06 0.21 0.19 0.00 -0.15 0.00 0.00 55.06 55.37 1ob1 s HIS 21 Cb -0.16 -4.26 -0.02 0.00 1.11 0.00 0.00 32.58 29.25 1ob1 s HIS 21 CO 0.06 -2.90 1.05 -0.07 -0.85 0.00 0.00 174.74 172.04 1ob1 h LEU 22 N -1.81 0.00 -0.58 0.89 3.38 -1.90 -3.21 115.31 112.08 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 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ob1 h LEU 22 CO 0.31 0.33 0.00 -0.90 0.09 0.00 0.00 178.44 178.27 1ob1 n ASP 23 N -2.89 0.46 0.00 -0.43 5.68 -1.26 -4.80 116.55 113.31 1ob1 n ASP 23 Ca -0.04 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1ob1 n ASP 23 Cb 0.71 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.15 -0.36 0.00 0.11 -0.58 -1.21 -5.02 120.64 113.43 1ob1 n GLU 24 Ca 0.00 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1ob1 n GLU 24 Cb 0.12 -3.52 0.00 0.00 -0.57 0.00 0.00 31.44 27.46 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 -1.73 -1.19 -3.50 3.49 1.74 -1.26 -4.88 116.66 109.32 1ob1 n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ob1 n ARG 25 Cb 0.09 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.49 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 -2.85 0.40 -0.02 5.56 2.12 -1.26 -3.63 118.70 119.01 1ob1 s GLU 26 Ca 0.00 0.96 0.05 0.00 0.36 0.00 0.00 54.97 56.35 1ob1 s GLU 26 Cb 0.00 0.55 -0.01 0.00 0.26 0.00 0.00 34.13 34.93 1ob1 s GLU 26 CO 0.00 -0.13 -0.19 -2.00 -0.54 0.00 0.00 175.26 172.40 1ob1 s GLU 27 N 2.50 1.64 0.06 4.30 2.12 0.22 -4.96 118.70 124.58 1ob1 s GLU 27 Ca -0.04 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 1ob1 s GLU 27 Cb -0.08 -1.53 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 1ob1 s GLU 27 CO -0.18 0.37 0.25 0.00 -0.54 0.00 0.00 175.26 175.15 1ob1 s LYS 29 N -2.37 0.56 0.44 0.00 1.02 -0.27 -4.98 119.74 114.14 1ob1 s LYS 29 Ca 0.34 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.31 1ob1 s LYS 29 Cb -0.13 0.26 -0.08 0.00 -0.52 0.00 0.00 37.83 37.37 1ob1 s LYS 29 CO 0.25 -0.12 1.16 0.00 -0.92 0.00 0.00 175.35 175.72 1ob1 s LEU 31 N -2.85 2.34 0.49 0.00 1.43 -0.65 -4.73 118.68 114.71 1ob1 s LEU 31 Ca 0.61 1.60 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 1ob1 s LEU 31 Cb -0.29 -4.03 -0.07 0.00 0.03 0.00 0.00 46.19 41.83 1ob1 s LEU 31 CO 0.36 -2.68 1.32 0.18 0.23 0.00 0.00 176.35 175.75 1ob1 n LEU 32 N -3.92 4.81 -0.11 1.79 4.32 -1.26 -1.94 117.00 120.69 1ob1 n LEU 32 Ca 0.07 1.04 -0.01 0.00 -0.02 0.00 0.00 56.01 57.09 1ob1 n LEU 32 Cb 0.55 -1.54 -0.01 0.00 -1.62 0.00 0.00 43.42 40.79 1ob1 n LEU 32 CO 0.55 -0.60 -0.01 0.59 -1.22 0.00 0.00 177.39 176.70 1ob1 n ASN 33 N -0.40 -4.41 -4.25 -1.43 4.13 -1.26 -4.99 115.26 102.65 1ob1 n ASN 33 Ca 0.08 0.03 -0.26 0.00 1.68 0.00 0.00 54.58 56.11 1ob1 n ASN 33 Cb 0.42 -2.04 -0.15 0.00 -1.54 0.00 0.00 39.78 36.48 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 -1.64 1.85 0.14 3.10 1.51 -0.82 0.15 117.35 121.64 1ob1 s TYR 34 Ca 0.00 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 55.78 1ob1 s TYR 34 Cb 0.00 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1ob1 s TYR 34 CO 0.00 0.06 -0.22 -1.59 -1.11 0.00 0.00 175.55 172.69 1ob1 s LYS 35 N -0.99 1.26 -0.14 -0.62 -2.85 0.74 -4.61 119.74 112.54 1ob1 s LYS 35 Ca 0.08 -1.30 -0.29 0.00 -1.00 0.00 0.00 55.97 53.45 1ob1 s LYS 35 Cb -0.09 -1.51 -0.02 0.00 -2.06 0.00 0.00 37.83 34.15 1ob1 s LYS 35 CO 0.01 0.34 1.34 -1.14 0.10 0.00 0.00 175.35 176.00 1ob1 s GLN 36 N -2.27 4.23 -0.43 1.78 0.74 -1.26 -0.72 119.66 121.72 1ob1 s GLN 36 Ca 0.12 1.77 0.02 0.00 0.05 0.00 0.00 55.36 57.32 1ob1 s GLN 36 Cb -0.09 -3.80 0.13 0.00 1.10 0.00 0.00 33.01 30.36 1ob1 s GLN 36 CO 0.06 -0.73 0.23 -2.00 -0.55 0.00 0.00 175.29 172.30 1ob1 s GLU 37 N 3.56 1.26 6.28 1.67 2.12 0.12 -4.98 118.70 128.74 1ob1 s GLU 37 Ca 0.59 -1.97 0.00 0.00 0.36 0.00 0.00 54.97 53.95 1ob1 s GLU 37 Cb -0.24 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1ob1 s GLU 37 CO 0.18 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1ob1 n GLY 38 N 3.60 0.66 1.86 -1.50 0.00 -1.26 -3.16 105.19 105.38 1ob1 n GLY 38 Ca 0.08 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.49 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 7.00 5.24 -4.16 1.61 9.92 -1.26 -4.94 116.55 129.97 1ob1 n ASP 39 Ca 0.00 -2.96 -0.10 0.00 -0.53 0.00 0.00 54.79 51.20 1ob1 n ASP 39 Cb 0.00 -0.70 -0.10 0.00 -0.64 0.00 0.00 41.12 39.68 1ob1 n ASP 39 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1ob1 s LYS 40 N -2.72 0.85 0.07 -1.24 -2.85 -1.19 -4.83 119.74 107.84 1ob1 s LYS 40 Ca 0.52 -1.37 0.02 0.00 -1.00 0.00 0.00 55.97 54.14 1ob1 s LYS 40 Cb 0.40 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1ob1 s LYS 40 CO 0.14 -0.14 0.10 0.00 0.10 0.00 0.00 175.35 175.55 1ob1 n VAL 42 N 0.49 0.00 -2.61 0.00 3.14 0.10 -4.81 118.33 114.64 1ob1 n VAL 42 Ca -0.08 -1.64 -0.39 0.00 -2.96 0.00 0.00 64.34 59.26 1ob1 n VAL 42 Cb 0.52 0.87 -0.05 0.00 -1.06 0.00 0.00 33.84 34.11 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 -2.86 4.67 -0.46 1.45 2.02 -1.26 -0.18 118.70 122.07 1ob1 s GLU 43 Ca 0.27 1.61 0.03 0.00 0.02 0.00 0.00 54.97 56.89 1ob1 s GLU 43 Cb 0.01 -3.12 0.14 0.00 0.10 0.00 0.00 34.13 31.26 1ob1 s GLU 43 CO 0.19 0.30 0.28 1.21 0.02 0.00 0.00 175.26 177.26 1ob1 s ASN 44 N -1.13 3.47 0.65 -0.19 3.04 0.39 -4.46 114.94 116.70 1ob1 s ASN 44 Ca 0.45 -2.79 0.29 0.00 0.04 0.00 0.00 52.86 50.85 1ob1 s ASN 44 Cb -0.27 -0.99 1.58 0.00 -1.54 0.00 0.00 41.25 40.02 1ob1 s ASN 44 CO 0.35 -0.24 1.91 -0.65 -3.04 0.00 0.00 177.10 175.43 1ob1 h PRO 45 N 6.46 0.00 -2.29 0.43 0.11 -1.96 -3.21 132.00 131.55 1ob1 h PRO 45 Ca 0.05 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.55 1ob1 h PRO 45 Cb 0.91 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.61 1ob1 h PRO 45 CO 0.48 0.00 -0.50 0.09 -0.21 0.00 0.00 178.00 177.86 1ob1 n ASN 46 N -3.06 4.73 -0.29 -2.05 5.03 -1.26 -4.54 115.26 113.81 1ob1 n ASN 46 Ca 0.00 -3.69 0.12 0.00 0.87 0.00 0.00 54.58 51.88 1ob1 n ASN 46 Cb 0.44 -0.61 0.27 0.00 -1.02 0.00 0.00 39.78 38.86 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 3.10 0.21 -3.82 3.52 0.11 -1.90 -3.48 132.00 129.73 1ob1 h PRO 47 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ob1 h PRO 47 Cb 0.49 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1ob1 h PRO 47 CO 0.85 0.14 -0.37 2.41 -0.21 0.00 0.00 178.00 180.82 1ob1 n THR 48 N -5.22 -5.20 0.03 -1.15 -1.04 -1.26 -4.36 114.28 96.08 1ob1 n THR 48 Ca 0.20 1.29 0.03 0.00 -2.04 0.00 0.00 64.05 63.53 1ob1 n THR 48 Cb 0.65 -2.73 0.39 0.00 -1.82 0.00 0.00 70.33 66.82 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 0.46 0.80 -3.54 0.00 -0.26 -1.93 -2.90 115.58 108.21 1ob1 h ASN 50 Ca 0.11 -0.01 -0.62 0.00 -0.56 0.00 0.00 56.30 55.22 1ob1 h ASN 50 Cb 0.12 -0.19 -0.13 0.00 -1.06 0.00 0.00 38.32 37.06 1ob1 h ASN 50 CO -0.01 0.57 0.10 -0.70 -1.06 0.00 0.00 177.43 176.32 1ob1 s GLU 51 N -6.13 3.95 -1.95 0.81 2.12 -1.11 -4.25 118.70 112.14 1ob1 s GLU 51 Ca -0.13 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.50 1ob1 s GLU 51 Cb 0.15 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1ob1 s GLU 51 CO 0.78 -0.50 0.00 -1.71 -0.54 0.00 0.00 175.26 173.28 1ob1 n ASN 52 N 5.77 -5.38 -2.16 -1.70 4.05 -1.26 -2.45 115.26 112.13 1ob1 n ASN 52 Ca -0.02 0.35 -0.18 0.00 0.45 0.00 0.00 54.58 55.18 1ob1 n ASN 52 Cb 0.49 -4.54 -0.00 0.00 1.23 0.00 0.00 39.78 36.96 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 -1.26 -5.32 0.00 1.20 5.15 -1.10 -1.86 115.26 112.07 1ob1 n ASN 53 Ca -0.20 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.73 1ob1 n ASN 53 Cb 0.64 -4.35 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 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 -1.08 0.46 0.00 8.20 0.00 -1.03 -1.23 105.19 110.52 1ob1 n GLY 54 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.52 3.80 -0.02 0.00 -0.78 -4.62 105.19 102.09 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 -1.60 -1.50 0.29 0.00 -0.08 -0.08 -4.82 116.55 108.77 1ob1 n ASP 57 Ca 0.09 0.52 0.17 0.00 -1.51 0.00 0.00 54.79 54.06 1ob1 n ASP 57 Cb 0.53 -1.20 0.86 0.00 2.34 0.00 0.00 41.12 43.64 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 -0.66 1.10 -0.46 -1.67 0.00 -1.91 -1.88 119.26 113.78 1ob1 h ALA 58 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ob1 h ALA 58 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ob1 h ALA 58 CO 0.40 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 1ob1 n ASP 59 N -3.28 4.73 -4.45 0.00 10.43 -1.26 -4.95 116.55 117.77 1ob1 n ASP 59 Ca -0.01 -2.83 -0.31 0.00 2.57 0.00 0.00 54.79 54.21 1ob1 n ASP 59 Cb 0.21 -0.59 -0.13 0.00 1.84 0.00 0.00 41.12 42.46 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 -2.54 2.57 0.01 2.24 0.00 -0.71 -2.09 121.76 121.25 1ob1 s ALA 60 Ca 0.48 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.98 1ob1 s ALA 60 Cb 0.36 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1ob1 s ALA 60 CO 0.15 0.57 0.80 0.21 0.00 0.00 0.00 175.76 177.48 1ob1 s LYS 61 N -1.41 4.51 -0.22 0.00 2.47 0.22 -4.75 119.74 120.56 1ob1 s LYS 61 Ca 0.14 1.10 -0.06 0.00 -1.56 0.00 0.00 55.97 55.59 1ob1 s LYS 61 Cb -0.10 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.84 1ob1 s LYS 61 CO 0.05 0.17 0.03 0.00 0.16 0.00 0.00 175.35 175.76 1ob1 s THR 63 N 1.30 1.93 0.00 0.00 -4.23 -0.50 -4.96 115.64 109.19 1ob1 s THR 63 Ca 0.04 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1ob1 s THR 63 Cb -0.15 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1ob1 s THR 63 CO 0.02 -0.32 0.02 -1.83 -0.54 0.00 0.00 174.62 171.96 1ob1 s GLU 64 N -3.66 0.19 0.02 3.99 -1.05 -1.26 -1.11 118.70 115.83 1ob1 s GLU 64 Ca 0.29 -0.27 0.05 0.00 -0.15 0.00 0.00 54.97 54.90 1ob1 s GLU 64 Cb 0.02 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1ob1 s GLU 64 CO 0.13 -0.03 -0.12 -1.21 0.95 0.00 0.00 175.26 174.98 1ob1 s GLU 65 N -0.73 2.34 0.00 -4.83 2.02 -1.22 -5.01 118.70 111.28 1ob1 s GLU 65 Ca -0.08 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1ob1 s GLU 65 Cb -0.05 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1ob1 s GLU 65 CO -0.00 0.57 0.00 -3.47 0.02 0.00 0.00 175.26 172.38 1ob1 n ASP 66 N 1.53 0.00 0.00 -0.19 -0.08 -1.26 -3.83 116.55 112.72 1ob1 n ASP 66 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 1ob1 n ASP 66 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1ob1 n ASP 66 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ob1 n SER 67 N 0.00 0.00 0.00 1.67 3.41 -1.26 -4.41 113.62 113.02 1ob1 n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ob1 n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ob1 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ob1 n GLY 68 N 0.00 0.68 2.52 5.00 0.00 -1.26 -0.19 105.19 111.95 1ob1 n GLY 68 Ca 0.00 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 1ob1 n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ob1 n SER 69 N 0.00 5.68 0.00 1.61 7.64 -1.26 -4.15 113.62 123.14 1ob1 n SER 69 Ca 0.00 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1ob1 n SER 69 Cb 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 1ob1 n SER 69 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ob1 n ASN 70 N 3.97 0.00 0.00 6.43 4.13 -1.26 -4.95 115.26 123.58 1ob1 n ASN 70 Ca 0.51 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1ob1 n ASN 70 Cb 0.18 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 1ob1 n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ob1 n GLY 71 N -2.00 3.06 0.75 7.41 0.00 -1.26 -4.89 105.19 108.26 1ob1 n GLY 71 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ob1 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ob1 n LYS 72 N -0.52 0.00 -4.26 1.61 4.01 0.74 -4.60 118.16 115.13 1ob1 n LYS 72 Ca 0.00 0.26 -0.21 0.00 -0.51 0.00 0.00 58.31 57.85 1ob1 n LYS 72 Cb 0.00 -0.49 -0.12 0.00 -0.51 0.00 0.00 35.03 33.91 1ob1 n LYS 72 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1ob1 s LYS 73 N -0.60 1.06 -0.08 1.97 2.47 -1.22 -4.86 119.74 118.48 1ob1 s LYS 73 Ca 0.00 -1.19 -0.03 0.00 -1.56 0.00 0.00 55.97 53.19 1ob1 s LYS 73 Cb 0.00 -1.13 0.04 0.00 -1.46 0.00 0.00 37.83 35.29 1ob1 s LYS 73 CO 0.00 0.24 0.16 -1.50 0.16 0.00 0.00 175.35 174.41 1ob1 s ILE 74 N -1.64 -0.16 -0.04 5.43 1.10 -1.26 -3.39 121.20 121.23 1ob1 s ILE 74 Ca 0.07 0.27 0.07 0.00 -0.51 0.00 0.00 60.65 60.55 1ob1 s ILE 74 Cb -0.08 -0.28 -0.01 0.00 0.15 0.00 0.00 42.46 42.24 1ob1 s ILE 74 CO 0.04 0.11 -0.25 -0.89 -2.11 0.00 0.00 174.94 171.84 1ob1 s THR 75 N 1.76 2.04 0.20 4.00 2.01 -0.27 -5.00 115.64 120.39 1ob1 s THR 75 Ca -0.03 -1.08 0.10 0.00 0.31 0.00 0.00 61.69 60.99 1ob1 s THR 75 Cb -0.12 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1ob1 s THR 75 CO -0.06 0.57 -0.11 0.00 -0.69 0.00 0.00 174.62 174.33 1ob1 s GLU 77 N -2.96 0.43 -0.50 0.00 2.12 -0.45 -4.83 118.70 112.52 1ob1 s GLU 77 Ca 0.25 1.15 -0.27 0.00 0.36 0.00 0.00 54.97 56.46 1ob1 s GLU 77 Cb -0.08 0.48 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 1ob1 s GLU 77 CO 0.15 -0.28 1.78 0.00 -0.54 0.00 0.00 175.26 176.37 1ob1 h THR 79 N 6.80 0.47 -3.97 0.00 1.35 -1.76 -3.46 112.91 112.34 1ob1 h THR 79 Ca -0.29 -1.16 -0.54 0.00 -0.55 0.00 0.00 66.41 63.88 1ob1 h THR 79 Cb 1.16 1.83 0.11 0.00 -1.73 0.00 0.00 68.15 69.51 1ob1 h THR 79 CO 1.14 0.20 0.70 -0.54 -0.25 0.00 0.00 175.52 176.78 1ob1 s LYS 80 N -3.54 3.84 0.01 4.72 3.01 -1.26 -4.92 119.74 121.60 1ob1 s LYS 80 Ca 0.02 2.40 -0.01 0.00 -1.01 0.00 0.00 55.97 57.37 1ob1 s LYS 80 Cb 0.09 -2.75 -0.00 0.00 -1.01 0.00 0.00 37.83 34.16 1ob1 s LYS 80 CO 0.64 -0.69 0.76 -2.30 0.51 0.00 0.00 175.35 174.27 1ob1 n PRO 81 N 0.02 -0.01 -3.83 -1.68 -0.02 -1.26 -3.25 135.00 124.97 1ob1 n PRO 81 Ca 0.04 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 62.00 1ob1 n PRO 81 Cb 0.42 -1.14 -0.12 0.00 -0.02 0.00 0.00 33.50 32.64 1ob1 n PRO 81 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ob1 n ASP 82 N -2.84 2.74 -3.75 2.55 5.68 -1.26 -5.02 116.55 114.65 1ob1 n ASP 82 Ca 0.00 -3.15 -0.13 0.00 -0.50 0.00 0.00 54.79 51.02 1ob1 n ASP 82 Cb 0.01 -0.74 -0.13 0.00 -1.14 0.00 0.00 41.12 39.12 1ob1 n ASP 82 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ob1 s SER 83 N -1.39 -0.22 0.22 -1.12 0.15 -1.20 -4.80 113.70 105.34 1ob1 s SER 83 Ca 0.26 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.45 1ob1 s SER 83 Cb -0.02 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1ob1 s SER 83 CO -0.17 -0.14 0.00 -0.31 1.20 0.00 0.00 173.24 173.83 1ob1 s TYR 84 N 0.90 2.78 0.25 3.44 1.51 -1.26 -4.78 117.35 120.19 1ob1 s TYR 84 Ca -0.06 -0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1ob1 s TYR 84 Cb -0.08 -1.29 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 1ob1 s TYR 84 CO -0.05 0.56 1.22 -2.14 -1.11 0.00 0.00 175.55 174.03 1ob1 s PRO 85 N -3.32 4.48 -0.05 -1.71 0.02 -1.26 -2.41 135.00 130.75 1ob1 s PRO 85 Ca 0.29 1.98 0.04 0.00 0.02 0.00 0.00 61.00 63.33 1ob1 s PRO 85 Cb -0.08 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1ob1 s PRO 85 CO 0.19 -0.06 -0.17 -0.51 -0.33 0.00 0.00 177.00 176.13 1ob1 s LEU 86 N -0.97 1.87 -1.11 -5.54 1.43 -0.41 -4.71 118.68 109.23 1ob1 s LEU 86 Ca 0.50 -0.36 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 1ob1 s LEU 86 Cb -0.35 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1ob1 s LEU 86 CO 0.42 0.12 0.73 0.49 0.23 0.00 0.00 176.35 178.35 1ob1 n PHE 87 N 3.35 -1.78 -1.19 0.29 3.01 -1.26 -1.62 117.46 118.26 1ob1 n PHE 87 Ca -0.19 0.38 -0.09 0.00 1.01 0.00 0.00 57.45 58.55 1ob1 n PHE 87 Cb 0.53 -3.14 -0.04 0.00 -0.01 0.00 0.00 39.48 36.81 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 -2.43 -4.86 0.00 4.37 10.43 -1.26 -1.78 116.55 121.01 1ob1 n ASP 88 Ca -0.12 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.47 1ob1 n ASP 88 Cb 0.59 -3.63 0.00 0.00 1.84 0.00 0.00 41.12 39.92 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 0.24 0.99 0.27 0.44 0.00 -0.69 -4.21 105.19 102.23 1ob1 n GLY 89 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 1.09 -2.74 -0.61 1.08 -0.48 -0.17 117.51 115.68 1ob1 h ILE 90 Ca 0.00 -0.29 -0.48 0.00 -0.39 0.00 0.00 64.86 63.70 1ob1 h ILE 90 Cb 0.00 0.18 -0.14 0.00 -3.07 0.00 0.00 36.82 33.79 1ob1 h ILE 90 CO 0.00 0.15 -0.68 -0.36 -0.69 0.00 0.00 178.15 176.58 1ob1 s PHE 91 N -6.12 1.89 0.14 1.37 0.40 -0.95 -2.27 117.98 112.44 1ob1 s PHE 91 Ca -0.13 -0.72 0.07 0.00 -0.60 0.00 0.00 56.93 55.56 1ob1 s PHE 91 Cb 0.15 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 1ob1 s PHE 91 CO 0.77 0.25 -0.16 0.00 0.70 0.00 0.00 175.22 176.77 1ob1 s SER 93 N -2.47 4.55 0.02 0.00 1.04 -1.01 -4.92 113.70 110.91 1ob1 s SER 93 Ca 0.11 0.07 -0.29 0.00 0.48 0.00 0.00 55.95 56.32 1ob1 s SER 93 Cb -0.06 -0.61 0.10 0.00 0.10 0.00 0.00 66.02 65.56 1ob1 s SER 93 CO 0.05 -1.73 1.16 -1.00 0.98 0.00 0.00 173.24 172.70 1ob1 s HIS 94 N -3.19 -0.09 -0.20 5.02 3.76 -1.26 -4.66 115.29 114.67 1ob1 s HIS 94 Ca 0.63 -0.08 -0.07 0.00 -0.15 0.00 0.00 55.06 55.39 1ob1 s HIS 94 Cb -0.08 0.57 -0.04 0.00 1.11 0.00 0.00 32.58 34.14 1ob1 s HIS 94 CO 0.44 -0.45 0.06 -1.58 -0.85 0.00 0.00 174.74 172.36 1ob1 s HIS 95 N -2.72 3.20 0.00 1.40 2.46 -1.26 -4.95 115.29 113.43 1ob1 s HIS 95 Ca 0.13 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.62 1ob1 s HIS 95 Cb 0.02 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.36 1ob1 s HIS 95 CO -0.02 0.04 0.00 -2.39 -2.47 0.00 0.00 174.74 169.89