#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj0 n SER 0 N 0.00 1.73 -4.61 1.61 3.41 -1.26 -4.95 113.62 109.55 1lj0 n SER 0 Ca 0.00 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.47 1lj0 n SER 0 Cb 0.00 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1lj0 n SER 0 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lj0 s ASP 1 N -6.08 6.62 0.25 4.04 2.15 -1.26 -4.94 116.67 117.45 1lj0 s ASP 1 Ca -0.24 0.76 -0.06 0.00 0.43 0.00 0.00 52.55 53.45 1lj0 s ASP 1 Cb 0.04 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.39 1lj0 s ASP 1 CO 0.34 -1.21 1.92 -0.65 -0.17 0.00 0.00 175.17 175.41 1lj0 h PRO 2 N 9.39 1.27 -0.89 4.34 0.11 -1.86 -3.30 132.00 141.06 1lj0 h PRO 2 Ca -0.24 -0.08 0.21 0.00 0.11 0.00 0.00 66.00 66.01 1lj0 h PRO 2 Cb 1.08 -0.29 -0.16 0.00 0.11 0.00 0.00 31.00 31.74 1lj0 h PRO 2 CO 1.09 0.84 -0.03 0.00 -0.21 0.00 0.00 178.00 179.69 1lj0 h ALA 3 N 1.38 0.90 -0.15 -0.75 0.00 -1.92 -3.00 119.26 115.71 1lj0 h ALA 3 Ca 0.37 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1lj0 h ALA 3 Cb -0.11 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lj0 h ALA 3 CO -0.09 -0.47 0.00 0.28 0.00 0.00 0.00 179.25 178.97 1lj0 n VAL 4 N -5.45 1.78 -3.70 0.00 0.31 -1.24 -4.91 118.33 105.11 1lj0 n VAL 4 Ca 0.18 -1.74 -0.37 0.00 -0.01 0.00 0.00 64.34 62.40 1lj0 n VAL 4 Cb 0.58 -0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.42 1lj0 n VAL 4 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1lj0 s THR 5 N -2.30 5.36 -0.13 2.52 2.01 -1.13 -4.99 115.64 116.97 1lj0 s THR 5 Ca 0.30 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 1lj0 s THR 5 Cb 0.24 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1lj0 s THR 5 CO 0.07 0.52 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.12 1lj0 s TYR 6 N -0.39 2.90 -0.01 4.92 2.02 -1.26 0.10 117.35 125.63 1lj0 s TYR 6 Ca 0.15 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.49 1lj0 s TYR 6 Cb -0.13 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1lj0 s TYR 6 CO 0.04 -0.08 -0.24 0.71 -1.57 0.00 0.00 175.55 174.42 1lj0 s TYR 7 N 0.21 2.10 0.46 2.71 2.02 -0.32 -4.83 117.35 119.69 1lj0 s TYR 7 Ca -0.06 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.05 1lj0 s TYR 7 Cb -0.15 -1.34 -0.10 0.00 -0.40 0.00 0.00 41.96 39.97 1lj0 s TYR 7 CO 0.04 -0.02 0.97 1.03 -1.57 0.00 0.00 175.55 176.01 1lj0 s ARG 8 N -0.64 4.10 0.45 -0.62 0.52 -1.26 -1.11 118.95 120.39 1lj0 s ARG 8 Ca 0.09 1.13 0.13 0.00 -0.52 0.00 0.00 55.73 56.56 1lj0 s ARG 8 Cb -0.09 -2.16 1.06 0.00 0.52 0.00 0.00 34.95 34.28 1lj0 s ARG 8 CO -0.01 -0.15 2.05 -0.07 0.02 0.00 0.00 175.30 177.14 1lj0 h LEU 9 N 1.66 0.29 -0.93 2.53 3.38 -1.95 -0.38 115.31 119.91 1lj0 h LEU 9 Ca -0.49 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.59 1lj0 h LEU 9 Cb 1.19 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 1lj0 h LEU 9 CO 0.61 0.19 0.57 -0.08 0.09 0.00 0.00 178.44 179.82 1lj0 h GLU 10 N 0.33 0.88 -0.18 1.13 4.81 -1.97 0.55 114.58 120.13 1lj0 h GLU 10 Ca 0.17 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.19 1lj0 h GLU 10 Cb 0.25 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1lj0 h GLU 10 CO -0.04 0.59 -0.53 0.93 -0.73 0.00 0.00 179.01 179.22 1lj0 h GLU 11 N 0.91 0.53 -0.25 1.92 4.39 -1.45 -3.17 114.58 117.47 1lj0 h GLU 11 Ca 0.46 -0.33 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1lj0 h GLU 11 Cb 0.45 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1lj0 h GLU 11 CO -0.26 0.93 -0.59 0.28 -1.16 0.00 0.00 179.01 178.21 1lj0 h VAL 12 N 0.41 1.28 -0.37 3.13 2.07 -1.03 -3.05 116.25 118.70 1lj0 h VAL 12 Ca 0.01 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 65.86 1lj0 h VAL 12 Cb 1.07 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1lj0 h VAL 12 CO 0.10 0.57 0.31 0.00 0.02 0.00 0.00 177.57 178.58 1lj0 h ALA 13 N 0.64 2.20 -0.03 1.67 0.00 -0.90 -0.70 119.26 122.14 1lj0 h ALA 13 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1lj0 h ALA 13 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1lj0 h ALA 13 CO 0.13 -0.50 -0.65 0.87 0.00 0.00 0.00 179.25 179.10 1lj0 h LYS 14 N 0.00 0.12 -3.98 0.00 1.57 -1.53 -3.36 116.57 109.39 1lj0 h LYS 14 Ca 0.18 -0.09 -0.73 0.00 -1.87 0.00 0.00 60.65 58.13 1lj0 h LYS 14 Cb 0.80 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.01 1lj0 h LYS 14 CO -0.00 0.72 2.32 0.54 -0.57 0.00 0.00 179.45 182.46 1lj0 n ARG 15 N -3.81 3.32 -1.34 3.15 3.00 -0.27 -4.63 116.66 116.08 1lj0 n ARG 15 Ca -0.02 -3.25 0.00 0.00 -0.01 0.00 0.00 57.85 54.57 1lj0 n ARG 15 Cb 0.64 -3.10 0.10 0.00 0.00 0.00 0.00 32.46 30.11 1lj0 n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1lj0 n ASN 16 N 5.12 1.92 -4.42 0.55 6.94 -1.15 -2.13 115.26 122.09 1lj0 n ASN 16 Ca 0.44 -3.06 -0.21 0.00 -0.02 0.00 0.00 54.58 51.73 1lj0 n ASN 16 Cb 0.39 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 1lj0 n ASN 16 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1lj0 s THR 17 N -2.44 1.64 0.25 5.53 -4.23 -1.17 -4.84 115.64 110.37 1lj0 s THR 17 Ca 0.37 -2.13 0.36 0.00 -1.18 0.00 0.00 61.69 59.12 1lj0 s THR 17 Cb 0.38 -2.41 0.39 0.00 1.34 0.00 0.00 72.50 72.20 1lj0 s THR 17 CO -0.08 -0.33 2.09 0.77 -0.54 0.00 0.00 174.62 176.53 1lj0 h SER 18 N 2.31 0.00 0.18 3.99 4.64 -1.96 -0.76 113.55 121.95 1lj0 h SER 18 Ca -0.40 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1lj0 h SER 18 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1lj0 h SER 18 CO 0.67 0.00 -0.25 1.05 -0.87 0.00 0.00 176.83 177.42 1lj0 h GLU 19 N 0.00 0.13 -2.21 4.77 4.11 -1.97 -3.37 114.58 116.04 1lj0 h GLU 19 Ca 0.00 -0.04 -0.42 0.00 0.07 0.00 0.00 59.36 58.97 1lj0 h GLU 19 Cb 0.28 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 29.18 1lj0 h GLU 19 CO 0.00 0.38 -0.72 -1.21 0.07 0.00 0.00 179.01 177.53 1lj0 s GLU 20 N -4.47 0.49 -0.52 1.06 2.02 -0.32 -4.97 118.70 111.99 1lj0 s GLU 20 Ca -0.04 -0.73 -0.14 0.00 0.02 0.00 0.00 54.97 54.08 1lj0 s GLU 20 Cb 0.15 -0.86 0.13 0.00 0.10 0.00 0.00 34.13 33.64 1lj0 s GLU 20 CO 0.73 -1.14 0.46 0.99 0.02 0.00 0.00 175.26 176.32 1lj0 s THR 21 N 1.68 4.95 0.18 3.63 2.01 -1.04 -2.93 115.64 124.11 1lj0 s THR 21 Ca 0.14 -1.57 0.05 0.00 0.31 0.00 0.00 61.69 60.63 1lj0 s THR 21 Cb -0.17 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1lj0 s THR 21 CO -0.14 -0.84 0.14 0.26 -0.69 0.00 0.00 174.62 173.35 1lj0 s TRP 22 N 1.54 3.13 -0.03 4.92 0.52 -0.90 0.23 118.94 128.34 1lj0 s TRP 22 Ca 0.04 -0.04 -0.29 0.00 0.02 0.00 0.00 56.10 55.83 1lj0 s TRP 22 Cb -0.29 -1.49 0.06 0.00 -1.15 0.00 0.00 33.47 30.61 1lj0 s TRP 22 CO 0.02 0.52 0.64 1.41 0.02 0.00 0.00 176.95 179.56 1lj0 s MET 23 N -3.22 1.03 -0.08 4.98 1.75 0.26 0.72 119.30 124.75 1lj0 s MET 23 Ca 0.31 0.17 -0.00 0.00 -1.25 0.00 0.00 55.69 54.92 1lj0 s MET 23 Cb -0.10 0.48 -0.03 0.00 2.84 0.00 0.00 34.83 38.03 1lj0 s MET 23 CO 0.23 -0.33 -0.06 0.08 -0.65 0.00 0.00 175.02 174.30 1lj0 s VAL 24 N -1.35 3.74 -0.04 10.11 1.01 -0.13 -0.26 120.40 133.48 1lj0 s VAL 24 Ca -0.11 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1lj0 s VAL 24 Cb -0.01 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.85 1lj0 s VAL 24 CO 0.08 0.58 -0.00 -0.76 0.00 0.00 0.00 175.10 175.00 1lj0 s LEU 25 N -0.60 0.94 -1.38 3.92 1.43 -0.07 -0.66 118.68 122.27 1lj0 s LEU 25 Ca 0.09 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1lj0 s LEU 25 Cb -0.12 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.81 1lj0 s LEU 25 CO 0.02 -0.13 0.37 1.41 0.23 0.00 0.00 176.35 178.24 1lj0 n HIS 26 N 4.50 -1.44 -0.99 0.29 8.25 -1.26 -1.02 115.22 123.54 1lj0 n HIS 26 Ca -0.19 0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1lj0 n HIS 26 Cb 0.50 -3.05 0.00 0.00 1.12 0.00 0.00 29.99 28.56 1lj0 n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lj0 n GLY 27 N -2.23 0.31 3.41 -1.41 0.00 -1.26 -5.00 105.19 99.01 1lj0 n GLY 27 Ca -0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1lj0 n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lj0 s ARG 28 N -0.78 1.48 -0.20 1.61 0.52 -0.19 -0.61 118.95 120.78 1lj0 s ARG 28 Ca 0.00 -1.49 -0.06 0.00 -0.52 0.00 0.00 55.73 53.66 1lj0 s ARG 28 Cb 0.00 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 1lj0 s ARG 28 CO 0.00 0.40 0.04 0.08 0.02 0.00 0.00 175.30 175.84 1lj0 s VAL 29 N -1.57 4.34 0.02 3.52 1.01 0.62 -0.89 120.40 127.45 1lj0 s VAL 29 Ca 0.19 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.07 1lj0 s VAL 29 Cb -0.08 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1lj0 s VAL 29 CO 0.09 0.42 -0.25 -0.31 0.00 0.00 0.00 175.10 175.05 1lj0 s TYR 30 N 0.88 2.19 -0.40 5.22 1.51 0.64 -0.09 117.35 127.31 1lj0 s TYR 30 Ca 0.02 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 1lj0 s TYR 30 Cb -0.14 -1.36 0.06 0.00 -0.11 0.00 0.00 41.96 40.41 1lj0 s TYR 30 CO 0.02 0.05 0.22 0.34 -1.11 0.00 0.00 175.55 175.07 1lj0 s ASP 31 N -0.92 5.60 -0.15 2.29 -1.08 -0.04 -0.57 116.67 121.79 1lj0 s ASP 31 Ca 0.10 -1.36 0.17 0.00 -0.52 0.00 0.00 52.55 50.94 1lj0 s ASP 31 Cb -0.10 -1.97 0.73 0.00 -1.46 0.00 0.00 42.92 40.13 1lj0 s ASP 31 CO 0.01 -0.47 1.65 0.18 0.52 0.00 0.00 175.17 177.05 1lj0 n LEU 32 N 4.91 4.98 -0.13 -1.34 4.77 0.14 -4.59 117.00 125.74 1lj0 n LEU 32 Ca -0.11 -2.62 -0.05 0.00 -0.03 0.00 0.00 56.01 53.20 1lj0 n LEU 32 Cb 0.44 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1lj0 n LEU 32 CO 0.37 0.75 0.70 0.74 -1.33 0.00 0.00 177.39 178.62 1lj0 h THR 33 N 3.87 0.36 -0.00 -5.08 2.02 -1.87 -0.23 112.91 111.98 1lj0 h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1lj0 h THR 33 Cb 1.60 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1lj0 h THR 33 CO 0.31 0.00 -0.00 0.54 0.37 0.00 0.00 175.52 176.73 1lj0 n ARG 34 N -5.39 0.33 0.06 6.66 1.74 -1.26 -3.66 116.66 115.12 1lj0 n ARG 34 Ca 0.03 -0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.16 1lj0 n ARG 34 Cb 0.31 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 1lj0 n ARG 34 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1lj0 n PHE 35 N -1.33 0.84 -0.24 -1.55 7.35 -0.15 -4.55 117.46 117.83 1lj0 n PHE 35 Ca 0.12 0.26 -0.03 0.00 -0.76 0.00 0.00 57.45 57.04 1lj0 n PHE 35 Cb 0.27 -0.96 0.03 0.00 0.35 0.00 0.00 39.48 39.16 1lj0 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1lj0 h LEU 36 N 0.00 -1.12 -2.40 -2.13 3.38 -1.49 0.40 115.31 111.95 1lj0 h LEU 36 Ca -0.08 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1lj0 h LEU 36 Cb 1.27 0.58 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1lj0 h LEU 36 CO 0.02 -0.29 -0.03 0.77 0.09 0.00 0.00 178.44 179.00 1lj0 h SER 37 N -0.11 0.00 -0.55 -0.43 4.64 -1.85 -2.77 113.55 112.47 1lj0 h SER 37 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1lj0 h SER 37 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1lj0 h SER 37 CO -0.74 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 174.63 1lj0 n GLU 38 N -3.36 2.62 -2.70 4.77 -0.58 0.10 -4.95 120.64 116.53 1lj0 n GLU 38 Ca -0.02 -2.48 -0.43 0.00 -0.42 0.00 0.00 57.16 53.82 1lj0 n GLU 38 Cb 0.15 -1.54 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 1lj0 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1lj0 s HIS 39 N -1.26 3.35 0.54 -0.32 2.46 -0.98 -4.92 115.29 114.16 1lj0 s HIS 39 Ca 0.44 1.42 0.31 0.00 0.47 0.00 0.00 55.06 57.70 1lj0 s HIS 39 Cb 0.24 -3.22 1.77 0.00 -0.13 0.00 0.00 32.58 31.24 1lj0 s HIS 39 CO 0.33 -0.44 2.21 -1.35 -2.47 0.00 0.00 174.74 173.01 1lj0 h PRO 40 N 7.46 0.00 -0.00 2.88 0.11 -1.92 0.89 132.00 141.42 1lj0 h PRO 40 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1lj0 h PRO 40 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1lj0 h PRO 40 CO 0.95 0.04 -0.06 0.41 -0.21 0.00 0.00 178.00 179.13 1lj0 n GLY 41 N -1.07 -0.94 0.00 -0.55 0.00 -1.26 -5.03 105.19 96.34 1lj0 n GLY 41 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1lj0 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lj0 n GLY 42 N 1.21 1.28 0.11 -0.02 0.00 0.31 -4.66 105.19 103.41 1lj0 n GLY 42 Ca 0.17 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 1lj0 n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lj0 h GLU 43 N 0.00 0.22 -0.74 1.61 5.08 -1.82 -3.39 114.58 115.54 1lj0 h GLU 43 Ca 0.00 -0.38 0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1lj0 h GLU 43 Cb 0.00 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.27 1lj0 h GLU 43 CO 0.00 1.18 0.12 0.93 -1.00 0.00 0.00 179.01 180.24 1lj0 h GLU 44 N -0.51 0.19 -0.24 2.33 5.08 -1.94 -0.51 114.58 118.98 1lj0 h GLU 44 Ca -0.14 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1lj0 h GLU 44 Cb 1.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 1lj0 h GLU 44 CO 0.10 0.13 0.03 -0.39 -1.00 0.00 0.00 179.01 177.87 1lj0 h VAL 45 N 0.20 1.13 -0.13 3.13 -1.51 -1.83 -1.67 116.25 115.57 1lj0 h VAL 45 Ca 0.42 -0.49 -0.19 0.00 -1.23 0.00 0.00 66.70 65.20 1lj0 h VAL 45 Cb 0.74 0.93 0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1lj0 h VAL 45 CO -0.57 0.17 -0.67 -0.07 -1.23 0.00 0.00 177.57 175.20 1lj0 h LEU 46 N 0.34 0.82 -0.14 4.19 3.38 -1.34 -3.20 115.31 119.35 1lj0 h LEU 46 Ca 0.08 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.46 1lj0 h LEU 46 Cb 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1lj0 h LEU 46 CO 0.00 1.32 -0.18 -0.09 0.09 0.00 0.00 178.44 179.59 1lj0 h ARG 47 N 0.37 -0.21 -0.84 1.13 2.43 -0.73 -1.30 114.38 115.24 1lj0 h ARG 47 Ca -0.05 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 1lj0 h ARG 47 Cb 1.31 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.80 1lj0 h ARG 47 CO 0.14 -0.14 0.41 1.49 -1.51 0.00 0.00 179.97 180.36 1lj0 h GLU 48 N -0.21 0.54 -0.67 0.20 4.81 -1.36 -0.65 114.58 117.23 1lj0 h GLU 48 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1lj0 h GLU 48 Cb 0.36 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1lj0 h GLU 48 CO -0.27 0.35 0.00 1.04 -0.73 0.00 0.00 179.01 179.40 1lj0 n GLN 49 N -4.92 3.11 -1.81 1.92 6.02 -0.96 -4.97 117.38 115.78 1lj0 n GLN 49 Ca 0.18 -2.57 -0.41 0.00 -0.01 0.00 0.00 57.00 54.19 1lj0 n GLN 49 Cb 0.47 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 1lj0 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lj0 s ALA 50 N -1.50 3.65 0.00 -1.58 0.00 -0.25 -1.51 121.76 120.57 1lj0 s ALA 50 Ca 0.47 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1lj0 s ALA 50 Cb 0.28 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1lj0 s ALA 50 CO 0.27 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1lj0 n GLY 51 N 1.31 1.03 3.29 0.00 0.00 0.22 -4.56 105.19 106.48 1lj0 n GLY 51 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1lj0 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj0 n ALA 52 N 0.22 0.43 -2.56 4.61 0.00 -0.57 -3.27 120.51 119.36 1lj0 n ALA 52 Ca 0.00 -2.06 -0.41 0.00 0.00 0.00 0.00 53.44 50.98 1lj0 n ALA 52 Cb 0.00 1.18 -0.08 0.00 0.00 0.00 0.00 19.45 20.55 1lj0 n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1lj0 s ASP 53 N -3.51 6.27 -0.19 0.00 -1.08 -1.26 -0.96 116.67 115.95 1lj0 s ASP 53 Ca 0.05 -0.01 0.16 0.00 -0.52 0.00 0.00 52.55 52.22 1lj0 s ASP 53 Cb 0.00 -2.24 0.61 0.00 -1.46 0.00 0.00 42.92 39.84 1lj0 s ASP 53 CO 0.03 -0.38 1.52 0.00 0.52 0.00 0.00 175.17 176.86 1lj0 n ALA 54 N 5.56 3.22 -0.01 3.66 0.00 0.17 -4.73 120.51 128.38 1lj0 n ALA 54 Ca -0.07 -2.13 -0.09 0.00 0.00 0.00 0.00 53.44 51.15 1lj0 n ALA 54 Cb 0.49 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 1lj0 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1lj0 h THR 55 N 2.52 0.48 -0.67 0.00 2.02 -1.90 -0.87 112.91 114.49 1lj0 h THR 55 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1lj0 h THR 55 Cb 1.57 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 68.41 1lj0 h THR 55 CO 0.29 0.00 0.38 -0.08 0.37 0.00 0.00 175.52 176.48 1lj0 h GLU 56 N -0.25 0.70 -0.23 6.66 4.81 -1.93 -0.24 114.58 124.11 1lj0 h GLU 56 Ca 0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1lj0 h GLU 56 Cb 0.41 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1lj0 h GLU 56 CO -0.29 0.46 0.06 0.77 -0.73 0.00 0.00 179.01 179.28 1lj0 h SER 57 N 0.72 0.34 -0.57 1.04 0.02 -1.83 0.32 113.55 113.59 1lj0 h SER 57 Ca 0.29 -0.23 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 1lj0 h SER 57 Cb 0.14 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 1lj0 h SER 57 CO -0.16 0.48 0.17 0.15 -1.14 0.00 0.00 176.83 176.33 1lj0 h PHE 58 N 0.19 0.29 -0.05 3.45 3.57 -0.71 -1.07 116.94 122.60 1lj0 h PHE 58 Ca 0.07 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.36 1lj0 h PHE 58 Cb 0.27 -0.04 0.02 0.00 2.79 0.00 0.00 35.95 38.99 1lj0 h PHE 58 CO 0.01 0.04 -0.92 0.93 -2.23 0.00 0.00 178.31 176.14 1lj0 h GLU 59 N 0.33 0.71 -0.25 1.11 4.39 -0.96 -3.26 114.58 116.65 1lj0 h GLU 59 Ca 0.29 -0.70 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 1lj0 h GLU 59 Cb 0.38 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1lj0 h GLU 59 CO -0.33 1.29 0.09 -0.44 -1.16 0.00 0.00 179.01 178.46 1lj0 h ASP 60 N 0.40 0.32 0.62 1.42 3.32 -0.51 -1.29 116.42 120.69 1lj0 h ASP 60 Ca -0.10 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1lj0 h ASP 60 Cb 1.57 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 1lj0 h ASP 60 CO 0.18 0.30 -0.12 0.58 -1.72 0.00 0.00 179.24 178.46 1lj0 h VAL 61 N 0.36 0.42 -2.90 -1.35 2.07 -1.25 -3.47 116.25 110.13 1lj0 h VAL 61 Ca 0.09 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 1lj0 h VAL 61 Cb 0.10 1.48 0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1lj0 h VAL 61 CO -0.01 0.12 -0.21 0.61 0.02 0.00 0.00 177.57 178.10 1lj0 n GLY 62 N -0.33 0.28 3.75 2.17 0.00 -0.49 -5.00 105.19 105.56 1lj0 n GLY 62 Ca -0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1lj0 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lj0 s HIS 63 N -3.10 2.26 0.78 1.61 3.76 -1.24 -5.00 115.29 114.36 1lj0 s HIS 63 Ca 0.03 1.42 -0.12 0.00 -0.15 0.00 0.00 55.06 56.24 1lj0 s HIS 63 Cb -0.01 -3.73 0.06 0.00 1.11 0.00 0.00 32.58 30.00 1lj0 s HIS 63 CO 0.20 -2.81 1.12 -1.54 -0.85 0.00 0.00 174.74 170.87 1lj0 s SER 64 N -1.14 4.76 0.28 1.40 1.04 -1.26 -4.89 113.70 113.90 1lj0 s SER 64 Ca 0.75 1.06 -0.03 0.00 0.48 0.00 0.00 55.95 58.21 1lj0 s SER 64 Cb -0.38 -1.74 0.38 0.00 0.10 0.00 0.00 66.02 64.38 1lj0 s SER 64 CO 0.44 -1.77 1.95 -0.65 0.98 0.00 0.00 173.24 174.19 1lj0 h PRO 65 N -0.96 1.15 -0.16 4.02 0.11 -1.99 -1.17 132.00 133.00 1lj0 h PRO 65 Ca -0.46 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.49 1lj0 h PRO 65 Cb 1.29 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1lj0 h PRO 65 CO 0.63 0.77 -0.23 -0.44 -0.21 0.00 0.00 178.00 178.53 1lj0 h ASP 66 N 1.18 0.28 -0.04 -2.05 3.32 -1.99 -1.49 116.42 115.63 1lj0 h ASP 66 Ca 0.32 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.15 1lj0 h ASP 66 Cb -0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1lj0 h ASP 66 CO -0.07 0.52 -0.42 0.00 -1.72 0.00 0.00 179.24 177.55 1lj0 h ALA 67 N 1.51 0.83 -0.58 3.45 0.00 -1.70 -0.21 119.26 122.55 1lj0 h ALA 67 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1lj0 h ALA 67 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1lj0 h ALA 67 CO 0.04 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.15 1lj0 h ARG 68 N 0.47 0.89 -0.46 0.00 3.08 -0.61 -2.08 114.38 115.66 1lj0 h ARG 68 Ca 0.04 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1lj0 h ARG 68 Cb 0.93 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1lj0 h ARG 68 CO 0.08 0.78 0.13 1.49 -1.07 0.00 0.00 179.97 181.37 1lj0 h GLU 69 N 0.81 0.73 -0.39 0.04 4.57 -0.97 -2.87 114.58 116.50 1lj0 h GLU 69 Ca 0.19 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1lj0 h GLU 69 Cb 0.23 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1lj0 h GLU 69 CO -0.01 0.71 0.26 1.98 -1.18 0.00 0.00 179.01 180.77 1lj0 h MET 70 N 0.62 0.35 0.00 1.92 4.05 -0.66 -1.88 114.93 119.33 1lj0 h MET 70 Ca 0.15 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1lj0 h MET 70 Cb 0.30 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1lj0 h MET 70 CO -0.00 0.23 -0.20 0.66 0.23 0.00 0.00 176.91 177.83 1lj0 h SER 71 N 0.36 0.00 -0.75 1.39 4.64 -1.15 -3.15 113.55 114.89 1lj0 h SER 71 Ca 0.16 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.62 1lj0 h SER 71 Cb 0.19 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.18 1lj0 h SER 71 CO -0.04 0.20 0.30 0.11 -0.87 0.00 0.00 176.83 176.53 1lj0 h LYS 72 N 0.00 0.42 0.00 4.77 1.57 -1.41 -0.62 116.57 121.30 1lj0 h LYS 72 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1lj0 h LYS 72 Cb 0.43 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1lj0 h LYS 72 CO 0.03 0.28 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1lj0 n GLN 73 N -5.01 0.03 0.00 3.15 10.64 -1.19 -1.24 117.38 123.76 1lj0 n GLN 73 Ca 0.14 0.33 0.06 0.00 -1.83 0.00 0.00 57.00 55.70 1lj0 n GLN 73 Cb 0.42 -1.50 0.02 0.00 -0.86 0.00 0.00 30.24 28.32 1lj0 n GLN 73 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1lj0 n TYR 74 N -1.40 0.00 -1.92 2.61 4.01 -0.25 -4.98 117.16 115.24 1lj0 n TYR 74 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1lj0 n TYR 74 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1lj0 n TYR 74 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1lj0 s TYR 75 N -1.32 2.49 0.00 -0.72 5.04 -0.38 -0.86 117.35 121.60 1lj0 s TYR 75 Ca 0.12 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1lj0 s TYR 75 Cb 0.10 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1lj0 s TYR 75 CO 0.24 -3.86 0.08 0.44 -1.34 0.00 0.00 175.55 171.11 1lj0 n ILE 76 N 4.63 0.00 0.00 3.14 -5.35 0.87 -4.77 119.36 117.88 1lj0 n ILE 76 Ca 0.16 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1lj0 n ILE 76 Cb 0.40 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.32 1lj0 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lj0 n GLY 77 N 0.74 -0.67 3.89 3.28 0.00 -1.14 -4.18 105.19 107.12 1lj0 n GLY 77 Ca 0.00 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1lj0 n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lj0 s ASP 78 N 0.00 5.81 0.27 1.61 1.11 0.28 -0.28 116.67 125.48 1lj0 s ASP 78 Ca 0.00 -0.16 -0.29 0.00 0.18 0.00 0.00 52.55 52.28 1lj0 s ASP 78 Cb 0.00 -1.49 -0.09 0.00 1.07 0.00 0.00 42.92 42.40 1lj0 s ASP 78 CO 0.00 -0.12 0.99 -0.69 1.18 0.00 0.00 175.17 176.52 1lj0 s VAL 79 N -2.11 3.93 0.16 -1.27 1.01 0.22 -1.18 120.40 121.16 1lj0 s VAL 79 Ca 0.35 1.86 -0.33 0.00 0.00 0.00 0.00 61.98 63.87 1lj0 s VAL 79 Cb -0.08 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 1lj0 s VAL 79 CO 0.27 0.38 1.70 1.57 0.00 0.00 0.00 175.10 179.02 1lj0 n HIS 80 N 1.18 2.54 -0.32 5.22 -0.00 -0.26 -4.75 115.22 118.82 1lj0 n HIS 80 Ca -0.01 0.08 0.18 0.00 0.46 0.00 0.00 57.72 58.44 1lj0 n HIS 80 Cb 0.47 -2.64 0.38 0.00 -0.12 0.00 0.00 29.99 28.08 1lj0 n HIS 80 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1lj0 h PRO 81 N 6.92 0.28 0.00 1.57 0.11 -1.93 1.14 132.00 140.09 1lj0 h PRO 81 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1lj0 h PRO 81 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1lj0 h PRO 81 CO 0.93 0.19 0.36 -0.91 -0.21 0.00 0.00 178.00 178.36 1lj0 h ASN 82 N 0.29 0.00 -0.01 -2.05 4.21 -1.99 -0.82 115.58 115.20 1lj0 h ASN 82 Ca 0.64 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.15 1lj0 h ASN 82 Cb 1.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.58 1lj0 h ASN 82 CO -0.62 0.00 -0.01 0.47 -1.29 0.00 0.00 177.43 175.98 1lj0 n ASP 83 N -2.71 1.82 -4.73 5.81 8.00 0.39 -5.00 116.55 120.14 1lj0 n ASP 83 Ca -0.02 -1.41 -0.41 0.00 0.71 0.00 0.00 54.79 53.66 1lj0 n ASP 83 Cb 0.40 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1lj0 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1lj0 s LEU 84 N -0.90 4.43 0.43 0.64 1.43 -0.32 -4.97 118.68 119.42 1lj0 s LEU 84 Ca 0.12 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.13 1lj0 s LEU 84 Cb 0.09 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 1lj0 s LEU 84 CO 0.14 -0.39 0.97 -1.59 0.23 0.00 0.00 176.35 175.71 1lj0 s LYS 85 N 0.25 4.18 0.00 1.70 -2.85 -1.26 -5.06 119.74 116.70 1lj0 s LYS 85 Ca 0.55 1.20 0.00 0.00 -1.00 0.00 0.00 55.97 56.72 1lj0 s LYS 85 Cb -0.31 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 1lj0 s LYS 85 CO 0.33 -0.08 0.06 -2.30 0.10 0.00 0.00 175.35 173.46