#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bb8 s LYS 4 N 0.00 0.31 0.33 5.31 1.02 -1.26 -5.15 119.74 120.30 1bb8 s LYS 4 Ca 0.00 0.88 -0.18 0.00 0.02 0.00 0.00 55.97 56.69 1bb8 s LYS 4 Cb 0.00 0.13 -0.09 0.00 -0.52 0.00 0.00 37.83 37.35 1bb8 s LYS 4 CO 0.00 -0.22 0.81 0.50 -0.92 0.00 0.00 175.35 175.52 1bb8 s ARG 5 N 2.11 4.16 0.22 1.68 3.52 -1.26 -5.08 118.95 124.29 1bb8 s ARG 5 Ca -0.04 0.89 0.02 0.00 -0.13 0.00 0.00 55.73 56.47 1bb8 s ARG 5 Cb -0.11 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.76 1bb8 s ARG 5 CO -0.12 0.16 0.02 1.03 -0.81 0.00 0.00 175.30 175.58 1bb8 s ARG 6 N -2.77 1.27 0.00 5.12 0.52 -1.26 -4.48 118.95 117.35 1bb8 s ARG 6 Ca 0.54 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1bb8 s ARG 6 Cb -0.12 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 34.94 1bb8 s ARG 6 CO 0.17 -0.15 0.00 -0.25 0.02 0.00 0.00 175.30 175.09 1bb8 n ASP 7 N -0.36 0.00 0.08 0.23 9.92 -1.23 -4.89 116.55 120.29 1bb8 n ASP 7 Ca -0.05 -0.44 0.09 0.00 -0.53 0.00 0.00 54.79 53.87 1bb8 n ASP 7 Cb 0.64 0.00 0.41 0.00 -0.64 0.00 0.00 41.12 41.53 1bb8 n ASP 7 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1bb8 n ASN 8 N -1.32 0.38 -0.33 -2.24 0.23 -1.26 -1.86 115.26 108.86 1bb8 n ASN 8 Ca 0.00 0.60 0.12 0.00 -0.53 0.00 0.00 54.58 54.77 1bb8 n ASN 8 Cb 0.00 -0.68 0.13 0.00 -2.08 0.00 0.00 39.78 37.15 1bb8 n ASN 8 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bb8 n ARG 9 N -1.94 0.89 -0.80 -3.83 5.12 -1.26 -4.93 116.66 109.92 1bb8 n ARG 9 Ca 0.02 -0.67 0.00 0.00 -1.93 0.00 0.00 57.85 55.28 1bb8 n ARG 9 Cb 0.18 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1bb8 n ARG 9 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bb8 n GLY 10 N 1.41 1.21 3.75 -0.13 0.00 -0.78 -4.99 105.19 105.66 1bb8 n GLY 10 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1bb8 n GLY 10 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bb8 s ARG 11 N -0.08 4.61 -0.45 1.61 1.70 -1.26 -4.77 118.95 120.30 1bb8 s ARG 11 Ca 0.00 1.24 -0.26 0.00 -0.47 0.00 0.00 55.73 56.24 1bb8 s ARG 11 Cb 0.00 -3.33 0.03 0.00 -0.57 0.00 0.00 34.95 31.07 1bb8 s ARG 11 CO 0.00 0.36 0.97 0.42 -1.08 0.00 0.00 175.30 175.97 1bb8 s ILE 12 N -0.42 4.43 0.49 4.99 1.01 -1.26 -3.57 121.20 126.87 1bb8 s ILE 12 Ca 0.40 0.90 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 1bb8 s ILE 12 Cb -0.22 -4.46 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 1bb8 s ILE 12 CO 0.27 -0.83 0.77 -1.48 0.00 0.00 0.00 174.94 173.66 1bb8 s LEU 13 N 3.86 3.59 0.00 2.97 2.34 -1.26 -5.09 118.68 125.09 1bb8 s LEU 13 Ca 0.39 0.73 -0.02 0.00 0.06 0.00 0.00 54.13 55.29 1bb8 s LEU 13 Cb -0.10 -3.63 0.07 0.00 -0.56 0.00 0.00 46.19 41.98 1bb8 s LEU 13 CO 0.26 -0.67 0.48 0.29 -1.06 0.00 0.00 176.35 175.66 1bb8 n LYS 14 N -2.25 0.05 -0.70 1.48 5.02 -1.26 -4.99 118.16 115.51 1bb8 n LYS 14 Ca 0.01 -1.12 -0.32 0.00 -2.02 0.00 0.00 58.31 54.86 1bb8 n LYS 14 Cb 0.56 -0.38 0.16 0.00 -0.02 0.00 0.00 35.03 35.35 1bb8 n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1bb8 n THR 15 N -2.25 0.00 0.00 -0.18 5.66 -1.26 -2.90 114.28 113.35 1bb8 n THR 15 Ca 0.07 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1bb8 n THR 15 Cb 0.26 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 1bb8 n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bb8 n GLY 16 N 1.09 1.22 3.80 1.09 0.00 -1.26 -4.95 105.19 106.18 1bb8 n GLY 16 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1bb8 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bb8 s GLU 17 N 0.00 3.10 0.12 1.61 8.01 -1.14 -3.96 118.70 126.44 1bb8 s GLU 17 Ca 0.00 1.16 -0.21 0.00 0.01 0.00 0.00 54.97 55.93 1bb8 s GLU 17 Cb 0.00 -2.00 0.05 0.00 -4.31 0.00 0.00 34.13 27.87 1bb8 s GLU 17 CO 0.00 -0.98 0.51 -1.12 0.01 0.00 0.00 175.26 173.68 1bb8 s SER 18 N -3.06 -0.42 -0.12 -0.19 0.01 0.11 -4.95 113.70 105.07 1bb8 s SER 18 Ca 0.62 -0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.71 1bb8 s SER 18 Cb -0.16 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.55 1bb8 s SER 18 CO 0.43 -0.87 0.26 -1.58 0.41 0.00 0.00 173.24 171.89 1bb8 s GLN 19 N -3.43 3.96 0.52 12.44 0.74 -1.26 -1.49 119.66 131.13 1bb8 s GLN 19 Ca 0.00 0.06 -0.06 0.00 0.05 0.00 0.00 55.36 55.42 1bb8 s GLN 19 Cb 0.00 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 1bb8 s GLN 19 CO -0.10 0.48 0.83 0.50 -0.55 0.00 0.00 175.29 176.45 1bb8 s ARG 20 N -0.26 3.42 0.37 1.67 3.52 -0.01 -4.92 118.95 122.74 1bb8 s ARG 20 Ca 0.17 0.20 0.11 0.00 -0.13 0.00 0.00 55.73 56.08 1bb8 s ARG 20 Cb -0.13 -2.33 0.88 0.00 -1.56 0.00 0.00 34.95 31.81 1bb8 s ARG 20 CO 0.05 -0.34 1.88 -0.22 -0.81 0.00 0.00 175.30 175.86 1bb8 h LYS 21 N 0.10 0.60 0.00 5.12 3.11 -1.98 -0.31 116.57 123.20 1bb8 h LYS 21 Ca -0.46 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 57.22 1bb8 h LYS 21 Cb 1.21 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.29 1bb8 h LYS 21 CO 0.61 0.40 -0.71 -0.44 -2.81 0.00 0.00 179.45 176.50 1bb8 h ASP 22 N 0.62 0.00 0.00 4.20 3.32 -2.04 -3.48 116.42 119.04 1bb8 h ASP 22 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1bb8 h ASP 22 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1bb8 h ASP 22 CO -0.19 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 1bb8 n GLY 23 N 1.26 1.09 3.73 2.75 0.00 -0.13 -5.11 105.19 108.79 1bb8 n GLY 23 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bb8 n GLY 23 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1bb8 n ARG 24 N 0.00 1.34 -2.50 1.61 1.85 -1.26 -4.35 116.66 113.35 1bb8 n ARG 24 Ca 0.00 0.51 -0.26 0.00 -1.00 0.00 0.00 57.85 57.10 1bb8 n ARG 24 Cb 0.00 -2.54 0.03 0.00 -1.05 0.00 0.00 32.46 28.89 1bb8 n ARG 24 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1bb8 s TYR 25 N -1.35 3.27 -0.11 2.89 2.02 -0.10 -0.83 117.35 123.14 1bb8 s TYR 25 Ca 0.78 0.59 -0.09 0.00 -0.37 0.00 0.00 57.07 57.98 1bb8 s TYR 25 Cb -0.40 -2.64 0.03 0.00 -0.40 0.00 0.00 41.96 38.55 1bb8 s TYR 25 CO 0.44 -0.71 0.28 -1.17 -1.57 0.00 0.00 175.55 172.82 1bb8 s LEU 26 N -4.91 0.79 0.17 -1.29 0.20 -0.55 -2.77 118.68 110.31 1bb8 s LEU 26 Ca 0.53 0.57 0.04 0.00 0.69 0.00 0.00 54.13 55.96 1bb8 s LEU 26 Cb -0.10 0.94 -0.05 0.00 -0.43 0.00 0.00 46.19 46.55 1bb8 s LEU 26 CO 0.44 -0.11 -0.07 -0.47 -0.29 0.00 0.00 176.35 175.84 1bb8 s TYR 27 N 0.41 1.33 -0.04 5.38 5.04 -1.10 -0.71 117.35 127.66 1bb8 s TYR 27 Ca -0.02 -0.81 0.05 0.00 -2.44 0.00 0.00 57.07 53.85 1bb8 s TYR 27 Cb -0.04 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.56 1bb8 s TYR 27 CO -0.02 0.04 -0.18 0.21 -1.34 0.00 0.00 175.55 174.26 1bb8 s LYS 28 N -3.78 1.83 0.20 4.97 2.36 -1.25 -1.49 119.74 122.58 1bb8 s LYS 28 Ca 0.20 -0.66 -0.01 0.00 -2.55 0.00 0.00 55.97 52.95 1bb8 s LYS 28 Cb 0.03 -1.62 -0.04 0.00 -1.05 0.00 0.00 37.83 35.16 1bb8 s LYS 28 CO 0.03 0.29 0.13 1.52 1.55 0.00 0.00 175.35 178.87 1bb8 s TYR 29 N -0.08 1.19 -0.16 4.03 1.13 -1.09 -5.01 117.35 117.35 1bb8 s TYR 29 Ca -0.02 -1.37 -0.08 0.00 -1.41 0.00 0.00 57.07 54.20 1bb8 s TYR 29 Cb -0.11 -0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 40.13 1bb8 s TYR 29 CO 0.02 -0.63 0.10 0.42 -2.51 0.00 0.00 175.55 172.95 1bb8 s ILE 30 N -4.13 5.13 0.59 -3.49 -1.09 -1.26 -2.59 121.20 114.36 1bb8 s ILE 30 Ca 0.39 0.08 -0.08 0.00 -2.23 0.00 0.00 60.65 58.81 1bb8 s ILE 30 Cb 0.07 -3.28 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1bb8 s ILE 30 CO 0.12 0.51 0.93 -1.81 -1.23 0.00 0.00 174.94 173.46 1bb8 s ASP 31 N -0.16 5.88 0.00 3.58 1.01 -1.14 -4.90 116.67 120.94 1bb8 s ASP 31 Ca 0.09 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.34 1bb8 s ASP 31 Cb -0.12 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1bb8 s ASP 31 CO 0.01 -0.94 0.70 -0.24 0.21 0.00 0.00 175.17 174.91 1bb8 n SER 32 N -2.60 0.00 -0.00 0.27 2.88 -1.26 -0.66 113.62 112.25 1bb8 n SER 32 Ca 0.04 0.20 0.10 0.00 -1.33 0.00 0.00 58.87 57.88 1bb8 n SER 32 Cb 0.56 -0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 63.68 1bb8 n SER 32 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1bb8 n PHE 33 N -1.20 0.00 -0.08 0.66 3.01 -1.26 -4.98 117.46 113.61 1bb8 n PHE 33 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1bb8 n PHE 33 Cb 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1bb8 n PHE 33 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bb8 n GLY 34 N 1.40 0.56 3.84 1.37 0.00 0.17 -5.08 105.19 107.44 1bb8 n GLY 34 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1bb8 n GLY 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bb8 s GLU 35 N -0.92 4.05 -0.26 1.61 -1.05 -1.26 -4.83 118.70 116.04 1bb8 s GLU 35 Ca 0.00 0.80 -0.28 0.00 -0.15 0.00 0.00 54.97 55.34 1bb8 s GLU 35 Cb 0.00 -2.34 0.01 0.00 -0.44 0.00 0.00 34.13 31.36 1bb8 s GLU 35 CO 0.00 0.07 0.98 -1.25 0.95 0.00 0.00 175.26 176.01 1bb8 s PRO 36 N -3.16 4.17 0.31 -4.83 0.04 -1.26 -2.91 135.00 127.37 1bb8 s PRO 36 Ca 0.56 1.14 0.09 0.00 0.04 0.00 0.00 61.00 62.84 1bb8 s PRO 36 Cb -0.10 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 1bb8 s PRO 36 CO 0.18 -0.67 0.00 -0.65 0.04 0.00 0.00 177.00 175.90 1bb8 s GLN 37 N 3.21 2.13 0.01 4.56 1.11 -1.07 -5.02 119.66 124.59 1bb8 s GLN 37 Ca 0.41 -1.63 0.02 0.00 0.01 0.00 0.00 55.36 54.17 1bb8 s GLN 37 Cb -0.14 -2.01 -0.01 0.00 -1.01 0.00 0.00 33.01 29.84 1bb8 s GLN 37 CO 0.09 0.22 -0.06 -0.06 0.01 0.00 0.00 175.29 175.48 1bb8 s PHE 38 N -2.45 0.54 0.12 0.91 0.08 -1.26 -2.67 117.98 113.24 1bb8 s PHE 38 Ca 0.34 -0.18 0.06 0.00 0.12 0.00 0.00 56.93 57.28 1bb8 s PHE 38 Cb -0.03 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 42.04 1bb8 s PHE 38 CO 0.19 -0.02 -0.05 0.14 -0.10 0.00 0.00 175.22 175.38 1bb8 s VAL 39 N -0.38 3.64 0.14 -0.44 -7.23 -0.56 -4.96 120.40 110.60 1bb8 s VAL 39 Ca -0.00 -1.22 0.10 0.00 -1.81 0.00 0.00 61.98 59.04 1bb8 s VAL 39 Cb -0.04 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1bb8 s VAL 39 CO -0.00 0.07 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.32 1bb8 s TYR 40 N -1.36 2.03 -0.21 2.82 2.02 -1.26 -2.72 117.35 118.67 1bb8 s TYR 40 Ca 0.24 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.24 1bb8 s TYR 40 Cb -0.11 -1.07 0.15 0.00 -0.40 0.00 0.00 41.96 40.53 1bb8 s TYR 40 CO 0.16 0.32 1.11 0.45 -1.57 0.00 0.00 175.55 176.02 1bb8 s SER 41 N -2.21 -0.28 -0.01 2.29 0.15 -1.12 -4.98 113.70 107.55 1bb8 s SER 41 Ca 0.13 0.34 0.13 0.00 0.70 0.00 0.00 55.95 57.25 1bb8 s SER 41 Cb -0.09 0.27 0.40 0.00 -1.71 0.00 0.00 66.02 64.90 1bb8 s SER 41 CO 0.06 -0.23 1.32 0.79 1.20 0.00 0.00 173.24 176.38 1bb8 n TRP 42 N 0.85 0.64 -4.11 3.44 7.02 -1.26 -0.93 117.44 123.09 1bb8 n TRP 42 Ca -0.08 -0.31 -0.14 0.00 -1.02 0.00 0.00 57.50 55.95 1bb8 n TRP 42 Cb 0.58 -0.02 -0.12 0.00 -2.42 0.00 0.00 31.31 29.32 1bb8 n TRP 42 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1bb8 s LYS 43 N -1.44 0.52 -0.21 -0.99 1.02 -1.26 -4.85 119.74 112.53 1bb8 s LYS 43 Ca 0.30 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.69 1bb8 s LYS 43 Cb 0.16 -0.37 -0.20 0.00 -0.52 0.00 0.00 37.83 36.90 1bb8 s LYS 43 CO 0.20 0.08 -0.00 -0.11 -0.92 0.00 0.00 175.35 174.59 1bb8 n LEU 44 N 1.94 2.85 -4.39 3.17 7.94 -1.26 -3.58 117.00 123.66 1bb8 n LEU 44 Ca -0.19 -0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.50 1bb8 n LEU 44 Cb 0.56 -0.99 -0.10 0.00 0.53 0.00 0.00 43.42 43.42 1bb8 n LEU 44 CO 0.22 0.91 -0.43 0.68 -1.11 0.00 0.00 177.39 177.66 1bb8 s VAL 45 N -2.53 1.85 -0.54 1.96 -7.23 -1.26 -3.68 120.40 108.96 1bb8 s VAL 45 Ca -0.30 -2.22 0.22 0.00 -1.81 0.00 0.00 61.98 57.87 1bb8 s VAL 45 Cb 0.08 -2.19 0.23 0.00 0.56 0.00 0.00 36.38 35.06 1bb8 s VAL 45 CO 0.66 -0.49 1.67 0.00 -0.31 0.00 0.00 175.10 176.64 1bb8 n ALA 46 N -0.48 1.64 1.62 1.32 0.00 -1.26 -2.53 120.51 120.82 1bb8 n ALA 46 Ca -0.07 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1bb8 n ALA 46 Cb 0.61 -1.36 0.62 0.00 0.00 0.00 0.00 19.45 19.32 1bb8 n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bb8 n THR 47 N -2.14 0.01 -1.20 0.00 -2.24 -1.26 -4.90 114.28 102.54 1bb8 n THR 47 Ca 0.02 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 1bb8 n THR 47 Cb 0.22 0.24 0.21 0.00 -2.10 0.00 0.00 70.33 68.89 1bb8 n THR 47 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bb8 n ASP 48 N -0.12 -1.42 -3.68 3.42 8.00 -1.05 -5.07 116.55 116.62 1bb8 n ASP 48 Ca 0.20 -1.18 -0.18 0.00 0.71 0.00 0.00 54.79 54.34 1bb8 n ASP 48 Cb 0.29 -0.89 -0.17 0.00 -0.02 0.00 0.00 41.12 40.34 1bb8 n ASP 48 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1bb8 s ARG 49 N -5.28 -0.03 0.40 -1.24 3.00 -1.26 -5.08 118.95 109.46 1bb8 s ARG 49 Ca 0.63 0.43 -0.24 0.00 -1.00 0.00 0.00 55.73 55.56 1bb8 s ARG 49 Cb -0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 34.95 34.42 1bb8 s ARG 49 CO 0.47 -0.30 1.04 0.14 0.00 0.00 0.00 175.30 176.65 1bb8 s VAL 50 N 2.09 3.79 0.66 7.11 -7.23 -1.26 -5.02 120.40 120.54 1bb8 s VAL 50 Ca 0.03 1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 61.40 1bb8 s VAL 50 Cb -0.12 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.13 1bb8 s VAL 50 CO -0.04 -0.01 1.10 -2.16 -0.31 0.00 0.00 175.10 173.67 1bb8 s PRO 51 N -2.54 2.86 0.61 4.82 0.04 -1.26 -4.91 135.00 134.62 1bb8 s PRO 51 Ca 0.58 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 1bb8 s PRO 51 Cb -0.21 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 1bb8 s PRO 51 CO 0.26 -1.19 0.17 0.00 0.04 0.00 0.00 177.00 176.28 1bb8 n ALA 52 N -2.47 -2.30 0.00 8.56 0.00 -1.26 -2.41 120.51 120.64 1bb8 n ALA 52 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1bb8 n ALA 52 Cb 0.52 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1bb8 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bb8 n GLY 53 N 2.17 2.94 3.86 0.00 0.00 -1.26 -5.02 105.19 107.87 1bb8 n GLY 53 Ca 0.09 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1bb8 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bb8 s LYS 54 N 0.00 3.83 0.00 1.61 -0.14 -1.01 -5.06 119.74 118.96 1bb8 s LYS 54 Ca 0.00 0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 1bb8 s LYS 54 Cb 0.00 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 1bb8 s LYS 54 CO 0.00 0.49 0.00 0.54 -0.76 0.00 0.00 175.35 175.62 1bb8 n ARG 55 N 0.65 0.00 -3.64 1.68 3.00 -1.26 -4.88 116.66 112.22 1bb8 n ARG 55 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.70 1bb8 n ARG 55 Cb 0.52 -0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.91 1bb8 n ARG 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1bb8 s ASP 56 N -1.10 -0.43 0.22 0.55 -1.08 -1.26 -4.88 116.67 108.69 1bb8 s ASP 56 Ca 0.00 0.83 -0.10 0.00 -0.52 0.00 0.00 52.55 52.76 1bb8 s ASP 56 Cb 0.00 0.84 -0.01 0.00 -1.46 0.00 0.00 42.92 42.28 1bb8 s ASP 56 CO 0.00 -0.15 0.37 0.00 0.52 0.00 0.00 175.17 175.91 1bb8 s ILE 58 N -4.04 4.33 1.18 0.00 1.01 -1.26 -4.96 121.20 117.46 1bb8 s ILE 58 Ca 0.25 1.83 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 1bb8 s ILE 58 Cb 0.02 -4.20 0.29 0.00 0.01 0.00 0.00 42.46 38.57 1bb8 s ILE 58 CO 0.08 0.48 1.02 -0.94 0.00 0.00 0.00 174.94 175.59 1bb8 s SER 59 N -0.95 0.83 -0.01 3.58 1.04 -1.26 -4.72 113.70 112.21 1bb8 s SER 59 Ca 0.38 1.52 -0.25 0.00 0.48 0.00 0.00 55.95 58.09 1bb8 s SER 59 Cb -0.24 -2.32 -0.17 0.00 0.10 0.00 0.00 66.02 63.39 1bb8 s SER 59 CO 0.28 -4.30 1.22 -0.07 0.98 0.00 0.00 173.24 171.35 1bb8 h LEU 60 N -2.69 -0.19 -0.72 2.42 3.38 -1.63 -1.21 115.31 114.66 1bb8 h LEU 60 Ca -0.62 -0.29 0.16 0.00 0.09 0.00 0.00 57.88 57.22 1bb8 h LEU 60 Cb 1.34 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.01 1bb8 h LEU 60 CO 0.50 0.22 0.01 0.03 0.09 0.00 0.00 178.44 179.29 1bb8 h ARG 61 N -0.64 0.11 -0.25 1.13 2.47 -1.91 0.36 114.38 115.65 1bb8 h ARG 61 Ca -0.02 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.51 1bb8 h ARG 61 Cb 0.47 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1bb8 h ARG 61 CO 0.04 0.07 -0.57 0.93 0.56 0.00 0.00 179.97 181.00 1bb8 h GLU 62 N 0.11 0.78 -0.63 0.04 5.08 -1.87 -3.06 114.58 115.03 1bb8 h GLU 62 Ca 0.39 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1bb8 h GLU 62 Cb 0.67 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1bb8 h GLU 62 CO -0.63 1.14 0.04 -0.22 -1.00 0.00 0.00 179.01 178.34 1bb8 h LYS 63 N 0.60 1.08 -0.56 2.33 3.64 0.25 -2.83 116.57 121.07 1bb8 h LYS 63 Ca 0.01 -0.32 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1bb8 h LYS 63 Cb 1.17 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1bb8 h LYS 63 CO 0.12 1.03 0.37 0.82 -2.27 0.00 0.00 179.45 179.52 1bb8 h ILE 64 N 1.00 1.15 -0.38 2.00 5.03 -0.37 -0.03 117.51 125.91 1bb8 h ILE 64 Ca 0.18 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1bb8 h ILE 64 Cb 0.51 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 34.60 1bb8 h ILE 64 CO 0.02 0.14 0.24 0.00 -0.68 0.00 0.00 178.15 177.87 1bb8 h ALA 65 N 1.20 0.48 -0.12 1.87 0.00 -1.41 -2.33 119.26 118.94 1bb8 h ALA 65 Ca 0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1bb8 h ALA 65 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1bb8 h ALA 65 CO -0.04 -0.05 -0.56 0.93 0.00 0.00 0.00 179.25 179.53 1bb8 h GLU 66 N 0.50 0.38 -0.31 0.00 3.07 -1.26 -2.40 114.58 114.57 1bb8 h GLU 66 Ca 0.14 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 1bb8 h GLU 66 Cb -0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1bb8 h GLU 66 CO -0.03 0.84 -0.04 -0.07 -1.40 0.00 0.00 179.01 178.31 1bb8 h LEU 67 N 0.29 0.57 -0.45 1.33 3.38 -0.77 -1.56 115.31 118.10 1bb8 h LEU 67 Ca 0.00 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 1bb8 h LEU 67 Cb 1.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1bb8 h LEU 67 CO 0.10 0.77 -0.73 1.56 0.09 0.00 0.00 178.44 180.23 1bb8 h GLN 68 N 0.35 0.00 0.00 1.13 4.20 -1.46 -2.94 115.11 116.39 1bb8 h GLN 68 Ca 0.08 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1bb8 h GLN 68 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1bb8 h GLN 68 CO 0.02 0.73 -0.63 0.87 -0.67 0.00 0.00 178.83 179.15 1bb8 h LYS 69 N 0.00 0.00 0.23 1.46 6.56 -1.37 -0.88 116.57 122.57 1bb8 h LYS 69 Ca -0.01 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.26 1bb8 h LYS 69 Cb 1.34 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 33.03 1bb8 h LYS 69 CO 0.09 0.63 -1.44 0.22 -2.06 0.00 0.00 179.45 176.89 1bb8 h ASP 70 N 0.00 0.76 0.06 0.86 3.58 -1.27 -3.39 116.42 117.02 1bb8 h ASP 70 Ca -0.01 -0.82 -0.33 0.00 0.42 0.00 0.00 57.03 56.30 1bb8 h ASP 70 Cb 1.36 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 1bb8 h ASP 70 CO 0.08 1.64 -1.81 2.30 -2.88 0.00 0.00 179.24 178.58 1bb8 n ILE 71 N -3.68 1.66 -3.04 2.25 -5.35 -1.11 -4.75 119.36 105.33 1bb8 n ILE 71 Ca -0.15 -0.41 -0.43 0.00 -0.27 0.00 0.00 62.75 61.49 1bb8 n ILE 71 Cb 1.09 -1.83 -0.05 0.00 -1.74 0.00 0.00 39.64 37.10 1bb8 n ILE 71 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1bb8 s HIS 72 N -2.48 2.95 0.00 4.28 3.76 -0.34 -4.84 115.29 118.62 1bb8 s HIS 72 Ca -0.27 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1bb8 s HIS 72 Cb 0.07 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 30.01 1bb8 s HIS 72 CO 0.67 -1.17 0.00 -0.25 -0.85 0.00 0.00 174.74 173.15