#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj0 s SER 0 N 0.00 6.66 -0.38 1.61 0.01 -1.26 -5.04 113.70 115.31 1lj0 s SER 0 Ca 0.00 1.67 -0.15 0.00 1.31 0.00 0.00 55.95 58.79 1lj0 s SER 0 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1lj0 s SER 0 CO 0.00 -0.55 0.31 -0.62 0.41 0.00 0.00 173.24 172.78 1lj0 s ASP 1 N -2.57 6.11 0.44 2.44 -1.08 -1.26 -4.98 116.67 115.77 1lj0 s ASP 1 Ca 0.61 -0.66 0.31 0.00 -0.52 0.00 0.00 52.55 52.29 1lj0 s ASP 1 Cb -0.11 -2.17 1.46 0.00 -1.46 0.00 0.00 42.92 40.65 1lj0 s ASP 1 CO 0.23 -0.39 1.60 -0.65 0.52 0.00 0.00 175.17 176.48 1lj0 h PRO 2 N 8.59 0.05 0.00 4.34 0.11 -2.05 0.17 132.00 143.21 1lj0 h PRO 2 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1lj0 h PRO 2 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lj0 h PRO 2 CO 0.71 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 1lj0 h ALA 3 N 1.60 1.00 -2.70 -0.75 0.00 -2.05 -3.45 119.26 112.91 1lj0 h ALA 3 Ca 0.85 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 55.09 1lj0 h ALA 3 Cb 2.70 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.41 1lj0 h ALA 3 CO -0.44 0.00 -0.49 0.08 0.00 0.00 0.00 179.25 178.40 1lj0 s VAL 4 N -3.23 5.41 -0.11 0.00 1.01 0.59 -5.09 120.40 118.99 1lj0 s VAL 4 Ca 0.08 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 1lj0 s VAL 4 Cb 0.09 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1lj0 s VAL 4 CO 0.60 0.62 0.39 -0.89 0.00 0.00 0.00 175.10 175.82 1lj0 s THR 5 N -1.01 5.20 0.04 3.92 2.01 -1.26 -4.80 115.64 119.74 1lj0 s THR 5 Ca 0.15 0.77 0.05 0.00 0.31 0.00 0.00 61.69 62.96 1lj0 s THR 5 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1lj0 s THR 5 CO 0.04 0.41 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.99 1lj0 s TYR 6 N 0.16 2.84 -0.03 4.92 2.02 -1.26 -1.49 117.35 124.51 1lj0 s TYR 6 Ca 0.22 -0.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.87 1lj0 s TYR 6 Cb -0.15 -1.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1lj0 s TYR 6 CO 0.09 0.39 -0.13 0.71 -1.57 0.00 0.00 175.55 175.04 1lj0 s TYR 7 N -1.09 1.34 0.48 2.71 2.02 -0.53 -4.85 117.35 117.42 1lj0 s TYR 7 Ca 0.19 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.34 1lj0 s TYR 7 Cb -0.11 -0.92 -0.09 0.00 -0.40 0.00 0.00 41.96 40.44 1lj0 s TYR 7 CO 0.10 -0.13 0.98 1.03 -1.57 0.00 0.00 175.55 175.96 1lj0 s ARG 8 N 0.10 4.02 0.64 -0.62 0.52 -1.26 -0.42 118.95 121.93 1lj0 s ARG 8 Ca -0.03 1.09 0.38 0.00 -0.52 0.00 0.00 55.73 56.65 1lj0 s ARG 8 Cb -0.10 -2.14 2.15 0.00 0.52 0.00 0.00 34.95 35.38 1lj0 s ARG 8 CO 0.01 -0.21 2.29 -0.07 0.02 0.00 0.00 175.30 177.34 1lj0 h LEU 9 N 1.40 0.00 -0.54 2.53 3.38 -1.95 -0.90 115.31 119.23 1lj0 h LEU 9 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1lj0 h LEU 9 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1lj0 h LEU 9 CO 0.61 0.00 0.19 -0.08 0.09 0.00 0.00 178.44 179.25 1lj0 h GLU 10 N 0.00 0.82 -0.25 1.13 4.81 -1.97 -0.27 114.58 118.85 1lj0 h GLU 10 Ca 0.01 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1lj0 h GLU 10 Cb 0.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1lj0 h GLU 10 CO -0.00 0.73 -0.33 0.93 -0.73 0.00 0.00 179.01 179.61 1lj0 h GLU 11 N 0.73 0.54 -0.34 1.92 4.39 -1.54 -2.97 114.58 117.32 1lj0 h GLU 11 Ca 0.18 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 1lj0 h GLU 11 Cb 0.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1lj0 h GLU 11 CO -0.01 0.81 -0.06 0.28 -1.16 0.00 0.00 179.01 178.87 1lj0 h VAL 12 N 0.46 1.27 -0.29 3.13 2.07 -1.32 -3.11 116.25 118.47 1lj0 h VAL 12 Ca 0.05 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.56 1lj0 h VAL 12 Cb 0.80 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1lj0 h VAL 12 CO 0.07 0.36 0.31 0.00 0.02 0.00 0.00 177.57 178.32 1lj0 h ALA 13 N 0.82 1.97 0.00 1.67 0.00 -0.89 -1.13 119.26 121.70 1lj0 h ALA 13 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1lj0 h ALA 13 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1lj0 h ALA 13 CO 0.03 -0.46 -0.60 0.87 0.00 0.00 0.00 179.25 179.09 1lj0 h LYS 14 N 0.00 0.00 -3.96 0.00 1.57 -1.46 -3.37 116.57 109.35 1lj0 h LYS 14 Ca 0.14 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.17 1lj0 h LYS 14 Cb 0.76 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.92 1lj0 h LYS 14 CO -0.00 0.60 1.93 0.54 -0.57 0.00 0.00 179.45 181.94 1lj0 n ARG 15 N -3.71 3.49 -1.44 3.15 3.00 -0.43 -4.62 116.66 116.10 1lj0 n ARG 15 Ca -0.01 -3.54 -0.01 0.00 -0.01 0.00 0.00 57.85 54.28 1lj0 n ARG 15 Cb 0.62 -3.00 0.10 0.00 0.00 0.00 0.00 32.46 30.18 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 4.65 2.05 -4.44 0.55 0.23 -1.15 -1.68 115.26 115.47 1lj0 n ASN 16 Ca 0.40 -3.03 -0.21 0.00 -0.53 0.00 0.00 54.58 51.20 1lj0 n ASN 16 Cb 0.39 -0.42 -0.10 0.00 -2.08 0.00 0.00 39.78 37.56 1lj0 n ASN 16 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1lj0 s THR 17 N -2.58 1.62 0.32 5.53 -4.23 -1.10 -4.88 115.64 110.31 1lj0 s THR 17 Ca 0.38 -2.11 0.33 0.00 -1.18 0.00 0.00 61.69 59.10 1lj0 s THR 17 Cb 0.38 -2.49 0.36 0.00 1.34 0.00 0.00 72.50 72.08 1lj0 s THR 17 CO -0.08 -0.27 2.08 0.77 -0.54 0.00 0.00 174.62 176.58 1lj0 h SER 18 N 2.25 0.00 0.58 3.99 4.64 -1.99 -1.68 113.55 121.35 1lj0 h SER 18 Ca -0.40 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.79 1lj0 h SER 18 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1lj0 h SER 18 CO 0.68 0.06 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.76 1lj0 h GLU 19 N 0.00 0.03 -1.21 4.77 3.07 -1.96 -3.43 114.58 115.85 1lj0 h GLU 19 Ca -0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1lj0 h GLU 19 Cb 0.37 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.05 1lj0 h GLU 19 CO 0.01 0.63 -0.36 -2.00 -1.40 0.00 0.00 179.01 175.89 1lj0 s GLU 20 N -3.64 0.52 -0.20 2.33 2.12 -0.64 -5.01 118.70 114.18 1lj0 s GLU 20 Ca -0.02 0.71 -0.01 0.00 0.36 0.00 0.00 54.97 56.01 1lj0 s GLU 20 Cb 0.13 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1lj0 s GLU 20 CO 0.77 -0.80 -0.14 0.99 -0.54 0.00 0.00 175.26 175.54 1lj0 s THR 21 N 2.77 2.52 0.27 -1.70 2.01 -1.13 -2.73 115.64 117.66 1lj0 s THR 21 Ca 0.15 -0.80 0.11 0.00 0.31 0.00 0.00 61.69 61.46 1lj0 s THR 21 Cb -0.13 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1lj0 s THR 21 CO -0.23 0.48 -0.08 0.26 -0.69 0.00 0.00 174.62 174.36 1lj0 s TRP 22 N 1.35 2.53 -0.08 4.92 0.52 -0.68 -0.75 118.94 126.75 1lj0 s TRP 22 Ca 0.05 -0.27 -0.22 0.00 0.02 0.00 0.00 56.10 55.68 1lj0 s TRP 22 Cb -0.14 -1.12 0.05 0.00 -1.15 0.00 0.00 33.47 31.12 1lj0 s TRP 22 CO -0.09 0.66 0.51 1.41 0.02 0.00 0.00 176.95 179.46 1lj0 s MET 23 N -3.61 0.80 -0.14 4.98 1.75 -0.20 0.13 119.30 123.01 1lj0 s MET 23 Ca 0.31 0.25 -0.06 0.00 -1.25 0.00 0.00 55.69 54.94 1lj0 s MET 23 Cb -0.06 0.37 -0.04 0.00 2.84 0.00 0.00 34.83 37.95 1lj0 s MET 23 CO 0.18 -0.20 0.09 0.08 -0.65 0.00 0.00 175.02 174.52 1lj0 s VAL 24 N -0.79 5.08 -0.08 10.11 1.01 -0.04 -0.71 120.40 134.97 1lj0 s VAL 24 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1lj0 s VAL 24 Cb -0.03 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1lj0 s VAL 24 CO 0.05 0.56 0.01 -0.76 0.00 0.00 0.00 175.10 174.96 1lj0 s LEU 25 N -0.50 0.61 -1.38 3.92 1.43 -0.25 -1.45 118.68 121.06 1lj0 s LEU 25 Ca 0.11 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1lj0 s LEU 25 Cb -0.12 -0.44 -0.00 0.00 0.03 0.00 0.00 46.19 45.66 1lj0 s LEU 25 CO 0.02 -0.20 0.46 1.41 0.23 0.00 0.00 176.35 178.27 1lj0 n HIS 26 N 5.15 -1.68 -1.00 0.29 8.25 -1.26 -1.46 115.22 123.51 1lj0 n HIS 26 Ca -0.07 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 1lj0 n HIS 26 Cb 0.50 -3.80 0.00 0.00 1.12 0.00 0.00 29.99 27.80 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 -1.93 0.39 3.27 -1.41 0.00 -1.26 -5.01 105.19 99.24 1lj0 n GLY 27 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.48 1.19 -0.17 1.61 0.52 -0.54 -0.85 118.95 120.24 1lj0 s ARG 28 Ca 0.00 -1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 54.06 1lj0 s ARG 28 Cb 0.00 -1.40 -0.04 0.00 0.52 0.00 0.00 34.95 34.03 1lj0 s ARG 28 CO 0.00 0.34 0.08 0.08 0.02 0.00 0.00 175.30 175.82 1lj0 s VAL 29 N -1.04 4.97 -0.05 3.52 1.01 0.19 -1.09 120.40 127.90 1lj0 s VAL 29 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1lj0 s VAL 29 Cb -0.10 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1lj0 s VAL 29 CO 0.03 0.50 -0.20 -0.31 0.00 0.00 0.00 175.10 175.12 1lj0 s TYR 30 N 0.01 1.99 -0.46 5.22 1.51 0.11 0.23 117.35 125.95 1lj0 s TYR 30 Ca 0.07 -0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 55.39 1lj0 s TYR 30 Cb -0.12 -1.32 0.06 0.00 -0.11 0.00 0.00 41.96 40.46 1lj0 s TYR 30 CO 0.01 -0.19 0.40 0.34 -1.11 0.00 0.00 175.55 175.00 1lj0 s ASP 31 N -0.04 6.15 0.00 2.29 2.15 -0.31 -1.04 116.67 125.88 1lj0 s ASP 31 Ca -0.04 -1.17 0.23 0.00 0.43 0.00 0.00 52.55 52.00 1lj0 s ASP 31 Cb -0.12 -2.19 0.62 0.00 -0.30 0.00 0.00 42.92 40.92 1lj0 s ASP 31 CO 0.03 -0.62 1.52 0.18 -0.17 0.00 0.00 175.17 176.10 1lj0 n LEU 32 N 5.30 3.89 -0.20 -1.34 4.77 0.07 -4.61 117.00 124.87 1lj0 n LEU 32 Ca -0.11 -1.93 -0.06 0.00 -0.03 0.00 0.00 56.01 53.88 1lj0 n LEU 32 Cb 0.45 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1lj0 n LEU 32 CO 0.46 0.96 0.62 0.74 -1.33 0.00 0.00 177.39 178.84 1lj0 h THR 33 N 4.31 0.16 0.00 -5.08 2.02 -1.85 0.50 112.91 112.96 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 0.99 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1lj0 h THR 33 CO 0.00 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.43 1lj0 n ARG 34 N -5.43 0.09 0.06 6.66 3.00 -1.26 -3.43 116.66 116.34 1lj0 n ARG 34 Ca 0.04 0.08 -0.04 0.00 -0.01 0.00 0.00 57.85 57.93 1lj0 n ARG 34 Cb 0.35 -1.60 -0.08 0.00 0.00 0.00 0.00 32.46 31.13 1lj0 n ARG 34 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1lj0 h PHE 35 N 0.00 0.00 -0.92 -1.55 3.57 -0.40 -3.39 116.94 114.25 1lj0 h PHE 35 Ca 0.00 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.76 1lj0 h PHE 35 Cb 0.56 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.14 1lj0 h PHE 35 CO 0.00 0.80 0.12 -0.07 -2.23 0.00 0.00 178.31 176.93 1lj0 h LEU 36 N 0.00 -0.27 -0.99 0.59 3.38 -1.00 0.48 115.31 117.50 1lj0 h LEU 36 Ca -0.09 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1lj0 h LEU 36 Cb 1.69 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1lj0 h LEU 36 CO 0.09 -0.28 0.00 -1.54 0.09 0.00 0.00 178.44 176.80 1lj0 n SER 37 N -5.38 1.46 0.00 -0.43 3.41 -1.26 -3.77 113.62 107.66 1lj0 n SER 37 Ca 0.22 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1lj0 n SER 37 Cb 0.73 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1lj0 n SER 37 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lj0 n GLU 38 N 0.23 5.72 -1.81 4.33 1.02 0.16 -5.03 120.64 125.25 1lj0 n GLU 38 Ca 0.14 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1lj0 n GLU 38 Cb 0.27 -0.57 -0.03 0.00 -0.02 0.00 0.00 31.44 31.09 1lj0 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1lj0 s HIS 39 N -0.84 2.41 -0.74 -0.32 2.46 -0.51 -4.88 115.29 112.86 1lj0 s HIS 39 Ca 0.00 0.20 0.19 0.00 0.47 0.00 0.00 55.06 55.92 1lj0 s HIS 39 Cb 0.00 -4.07 0.79 0.00 -0.13 0.00 0.00 32.58 29.17 1lj0 s HIS 39 CO 0.00 -4.31 1.58 -2.30 -2.47 0.00 0.00 174.74 167.24 1lj0 n PRO 40 N 5.32 0.09 -0.09 2.88 -0.02 -1.26 -1.55 135.00 140.38 1lj0 n PRO 40 Ca 0.16 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 1lj0 n PRO 40 Cb 0.39 -1.68 0.35 0.00 -0.02 0.00 0.00 33.50 32.53 1lj0 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lj0 n GLY 41 N -0.03 0.45 0.00 -1.23 0.00 -1.26 -5.04 105.19 98.07 1lj0 n GLY 41 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.17 -0.51 0.16 -0.02 0.00 -0.60 -4.61 105.19 100.78 1lj0 n GLY 42 Ca 0.16 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 1lj0 n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1lj0 h GLU 43 N 0.00 0.58 -0.48 1.61 4.81 -1.82 -3.38 114.58 115.90 1lj0 h GLU 43 Ca 0.00 -0.80 0.08 0.00 -0.13 0.00 0.00 59.36 58.51 1lj0 h GLU 43 Cb 0.00 0.27 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 1lj0 h GLU 43 CO 0.00 1.36 0.09 1.49 -0.73 0.00 0.00 179.01 181.22 1lj0 h GLU 44 N 0.18 0.21 -0.49 1.92 4.57 -1.91 0.60 114.58 119.67 1lj0 h GLU 44 Ca -0.19 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1lj0 h GLU 44 Cb 1.89 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.40 1lj0 h GLU 44 CO 0.23 0.14 0.33 -0.39 -1.18 0.00 0.00 179.01 178.14 1lj0 h VAL 45 N 0.22 0.93 0.13 0.32 -1.51 -1.82 -0.12 116.25 114.41 1lj0 h VAL 45 Ca 0.24 -0.12 -0.22 0.00 -1.23 0.00 0.00 66.70 65.37 1lj0 h VAL 45 Cb 0.32 0.55 0.02 0.00 -2.13 0.00 0.00 31.29 30.05 1lj0 h VAL 45 CO -0.32 0.06 -0.94 -0.07 -1.23 0.00 0.00 177.57 175.08 1lj0 h LEU 46 N 0.35 0.60 -0.26 4.19 3.38 -1.48 -3.29 115.31 118.81 1lj0 h LEU 46 Ca 0.22 -0.89 0.04 0.00 0.09 0.00 0.00 57.88 57.34 1lj0 h LEU 46 Cb 0.41 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1lj0 h LEU 46 CO -0.05 1.44 -0.01 -0.09 0.09 0.00 0.00 178.44 179.82 1lj0 h ARG 47 N -0.15 0.07 -1.00 1.13 2.43 -0.16 -1.64 114.38 115.06 1lj0 h ARG 47 Ca -0.15 -0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.23 1lj0 h ARG 47 Cb 1.70 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 31.14 1lj0 h ARG 47 CO 0.18 0.05 0.62 1.49 -1.51 0.00 0.00 179.97 180.80 1lj0 h GLU 48 N 0.07 0.57 -0.48 0.20 4.81 -1.15 -0.91 114.58 117.69 1lj0 h GLU 48 Ca 0.12 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1lj0 h GLU 48 Cb 0.16 -0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.31 1lj0 h GLU 48 CO -0.21 0.38 0.10 1.04 -0.73 0.00 0.00 179.01 179.58 1lj0 n GLN 49 N -4.71 2.53 -1.83 1.92 6.02 -0.98 -5.02 117.38 115.31 1lj0 n GLN 49 Ca 0.24 -3.05 -0.41 0.00 -0.01 0.00 0.00 57.00 53.76 1lj0 n GLN 49 Cb 0.70 -1.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 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 -3.09 3.70 0.00 -1.58 0.00 -0.35 -1.79 121.76 118.65 1lj0 s ALA 50 Ca 0.47 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1lj0 s ALA 50 Cb 0.40 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1lj0 s ALA 50 CO 0.06 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1lj0 n GLY 51 N 2.03 0.55 3.69 0.00 0.00 0.12 -4.63 105.19 106.95 1lj0 n GLY 51 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1lj0 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj0 s ALA 52 N -2.37 3.70 -0.52 4.61 0.00 -0.74 -3.07 121.76 123.38 1lj0 s ALA 52 Ca 0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 1lj0 s ALA 52 Cb 0.00 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1lj0 s ALA 52 CO 0.00 -0.09 0.79 0.34 0.00 0.00 0.00 175.76 176.80 1lj0 s ASP 53 N -3.80 6.30 -0.33 0.00 -1.08 -1.26 -0.86 116.67 115.65 1lj0 s ASP 53 Ca 0.16 -0.53 0.09 0.00 -0.52 0.00 0.00 52.55 51.75 1lj0 s ASP 53 Cb 0.04 -2.37 0.65 0.00 -1.46 0.00 0.00 42.92 39.79 1lj0 s ASP 53 CO 0.08 -1.04 1.72 0.00 0.52 0.00 0.00 175.17 176.45 1lj0 n ALA 54 N 6.83 4.56 -0.00 3.66 0.00 -0.53 -4.69 120.51 130.34 1lj0 n ALA 54 Ca -0.01 -2.63 -0.09 0.00 0.00 0.00 0.00 53.44 50.70 1lj0 n ALA 54 Cb 0.47 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 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 1.84 0.51 -0.27 0.00 2.02 -1.90 -0.04 112.91 115.06 1lj0 h THR 55 Ca 0.31 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.52 1lj0 h THR 55 Cb 2.21 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1lj0 h THR 55 CO 0.69 0.00 0.09 -0.33 0.37 0.00 0.00 175.52 176.33 1lj0 h GLU 56 N -0.24 0.20 -0.83 6.66 4.39 -1.94 0.64 114.58 123.46 1lj0 h GLU 56 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1lj0 h GLU 56 Cb 0.39 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1lj0 h GLU 56 CO -0.28 0.13 0.51 0.77 -1.16 0.00 0.00 179.01 178.98 1lj0 h SER 57 N 0.21 1.00 -0.29 1.42 0.02 -1.85 0.40 113.55 114.46 1lj0 h SER 57 Ca 0.12 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1lj0 h SER 57 Cb 0.10 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1lj0 h SER 57 CO -0.13 0.76 0.13 0.15 -1.14 0.00 0.00 176.83 176.60 1lj0 h PHE 58 N 1.14 0.24 -0.15 3.45 3.57 -0.33 -1.80 116.94 123.07 1lj0 h PHE 58 Ca 0.30 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.62 1lj0 h PHE 58 Cb -0.06 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1lj0 h PHE 58 CO -0.00 0.13 -0.70 0.93 -2.23 0.00 0.00 178.31 176.43 1lj0 h GLU 59 N 0.28 0.64 -0.94 1.11 4.39 -0.59 -2.87 114.58 116.60 1lj0 h GLU 59 Ca 0.12 -0.49 0.04 0.00 0.34 0.00 0.00 59.36 59.37 1lj0 h GLU 59 Cb 0.05 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.74 1lj0 h GLU 59 CO -0.09 1.11 0.61 -0.44 -1.16 0.00 0.00 179.01 179.04 1lj0 h ASP 60 N 0.45 1.00 -0.43 1.42 3.32 0.06 0.06 116.42 122.30 1lj0 h ASP 60 Ca -0.03 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 1lj0 h ASP 60 Cb 1.30 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1lj0 h ASP 60 CO 0.14 0.68 0.07 0.58 -1.72 0.00 0.00 179.24 178.98 1lj0 h VAL 61 N 1.16 1.23 -3.18 -1.35 2.07 -1.36 -3.48 116.25 111.34 1lj0 h VAL 61 Ca 0.38 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1lj0 h VAL 61 Cb 0.05 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1lj0 h VAL 61 CO -0.12 0.32 -0.03 0.61 0.02 0.00 0.00 177.57 178.37 1lj0 n GLY 62 N -0.76 -0.66 3.86 2.17 0.00 0.01 -5.03 105.19 104.77 1lj0 n GLY 62 Ca 0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.52 3.55 0.62 1.61 3.76 -1.24 -5.07 115.29 117.00 1lj0 s HIS 63 Ca 0.02 1.34 -0.08 0.00 -0.15 0.00 0.00 55.06 56.19 1lj0 s HIS 63 Cb -0.00 -2.73 0.01 0.00 1.11 0.00 0.00 32.58 30.96 1lj0 s HIS 63 CO 0.06 -0.54 0.96 -1.54 -0.85 0.00 0.00 174.74 172.83 1lj0 s SER 64 N -3.71 5.59 0.29 1.40 1.04 -1.26 -4.90 113.70 112.16 1lj0 s SER 64 Ca 0.56 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1lj0 s SER 64 Cb -0.11 -1.81 0.52 0.00 0.10 0.00 0.00 66.02 64.72 1lj0 s SER 64 CO 0.44 -1.12 1.89 -0.65 0.98 0.00 0.00 173.24 174.78 1lj0 h PRO 65 N -0.30 1.01 -0.65 4.02 0.11 -1.99 -0.02 132.00 134.18 1lj0 h PRO 65 Ca -0.45 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1lj0 h PRO 65 Cb 1.25 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1lj0 h PRO 65 CO 0.62 0.67 0.38 -0.44 -0.21 0.00 0.00 178.00 179.01 1lj0 h ASP 66 N 1.04 0.58 -0.36 -2.05 3.32 -1.99 0.23 116.42 117.19 1lj0 h ASP 66 Ca 0.42 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 1lj0 h ASP 66 Cb 0.26 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1lj0 h ASP 66 CO -0.17 0.38 0.12 0.00 -1.72 0.00 0.00 179.24 177.85 1lj0 h ALA 67 N 1.32 0.48 -0.88 3.45 0.00 -1.41 -1.27 119.26 120.95 1lj0 h ALA 67 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1lj0 h ALA 67 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1lj0 h ALA 67 CO -0.16 0.11 0.52 0.00 0.00 0.00 0.00 179.25 179.72 1lj0 h ARG 68 N 0.44 1.20 -0.49 0.00 3.08 -0.69 -1.03 114.38 116.89 1lj0 h ARG 68 Ca 0.12 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1lj0 h ARG 68 Cb 0.24 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1lj0 h ARG 68 CO -0.01 0.85 0.20 1.49 -1.07 0.00 0.00 179.97 181.44 1lj0 h GLU 69 N 1.22 0.73 -0.23 0.04 4.57 -0.77 -2.35 114.58 117.78 1lj0 h GLU 69 Ca 0.32 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1lj0 h GLU 69 Cb -0.03 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1lj0 h GLU 69 CO -0.06 0.64 0.11 1.98 -1.18 0.00 0.00 179.01 180.50 1lj0 h MET 70 N 0.65 0.32 0.00 1.92 4.05 -0.53 -2.49 114.93 118.83 1lj0 h MET 70 Ca 0.16 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 1lj0 h MET 70 Cb 0.18 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1lj0 h MET 70 CO -0.01 0.25 -0.08 0.66 0.23 0.00 0.00 176.91 177.95 1lj0 h SER 71 N 0.32 0.00 -0.75 1.39 4.64 -0.64 -3.00 113.55 115.52 1lj0 h SER 71 Ca 0.08 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.48 1lj0 h SER 71 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 1lj0 h SER 71 CO -0.01 0.08 0.49 0.11 -0.87 0.00 0.00 176.83 176.63 1lj0 h LYS 72 N 0.00 0.71 0.00 4.77 1.57 -1.48 -1.21 116.57 120.92 1lj0 h LYS 72 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1lj0 h LYS 72 Cb 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1lj0 h LYS 72 CO 0.01 0.47 -0.01 0.37 -0.57 0.00 0.00 179.45 179.72 1lj0 h GLN 73 N 0.73 0.00 -0.02 3.15 4.15 -1.72 -2.47 115.11 118.92 1lj0 h GLN 73 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1lj0 h GLN 73 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1lj0 h GLN 73 CO -0.12 0.01 -0.18 0.66 -1.93 0.00 0.00 178.83 177.27 1lj0 n TYR 74 N -3.57 0.00 -1.79 3.99 4.01 -0.47 -4.97 117.16 114.35 1lj0 n TYR 74 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1lj0 n TYR 74 Cb 0.09 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.92 2.50 0.00 -0.72 5.04 -0.93 -1.16 117.35 120.16 1lj0 s TYR 75 Ca 0.20 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1lj0 s TYR 75 Cb 0.16 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1lj0 s TYR 75 CO 0.36 -4.34 0.12 0.44 -1.34 0.00 0.00 175.55 170.78 1lj0 n ILE 76 N 4.46 0.00 -0.20 3.14 -5.35 0.13 -4.90 119.36 116.64 1lj0 n ILE 76 Ca 0.16 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1lj0 n ILE 76 Cb 0.38 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.56 -2.06 3.68 3.28 0.00 -1.15 -4.70 105.19 104.80 1lj0 n GLY 77 Ca 0.00 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.23 4.86 0.19 1.61 1.11 -0.56 0.55 116.67 124.20 1lj0 s ASP 78 Ca 0.00 -0.35 -0.30 0.00 0.18 0.00 0.00 52.55 52.08 1lj0 s ASP 78 Cb 0.00 -1.07 -0.08 0.00 1.07 0.00 0.00 42.92 42.84 1lj0 s ASP 78 CO 0.00 0.10 1.21 -0.69 1.18 0.00 0.00 175.17 176.97 1lj0 s VAL 79 N -1.69 3.50 0.21 -1.27 1.01 -0.03 -1.46 120.40 120.68 1lj0 s VAL 79 Ca 0.28 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.22 1lj0 s VAL 79 Cb -0.10 -3.81 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 1lj0 s VAL 79 CO 0.19 0.21 1.07 1.57 0.00 0.00 0.00 175.10 178.14 1lj0 n HIS 80 N 2.45 1.17 -0.34 5.22 -0.00 0.44 -4.79 115.22 119.37 1lj0 n HIS 80 Ca 0.04 0.71 0.27 0.00 0.46 0.00 0.00 57.72 59.21 1lj0 n HIS 80 Cb 0.44 -2.25 0.53 0.00 -0.12 0.00 0.00 29.99 28.59 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 2.76 0.20 0.00 1.57 0.11 -1.91 0.88 132.00 135.61 1lj0 h PRO 81 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1lj0 h PRO 81 Cb 1.35 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1lj0 h PRO 81 CO 0.66 0.13 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.52 1lj0 h ASN 82 N 0.20 0.00 -0.07 -2.05 4.21 -1.99 -2.68 115.58 113.21 1lj0 h ASN 82 Ca 0.78 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.29 1lj0 h ASN 82 Cb 1.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.12 1lj0 h ASN 82 CO -0.65 0.15 0.00 0.47 -1.29 0.00 0.00 177.43 176.11 1lj0 n ASP 83 N -3.66 2.30 -4.81 5.81 8.00 0.30 -4.90 116.55 119.57 1lj0 n ASP 83 Ca -0.02 -1.77 -0.34 0.00 0.71 0.00 0.00 54.79 53.38 1lj0 n ASP 83 Cb 0.27 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 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 -1.92 3.99 0.13 0.64 1.43 -1.01 -4.99 118.68 116.94 1lj0 s LEU 84 Ca 0.33 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1lj0 s LEU 84 Cb 0.20 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 1lj0 s LEU 84 CO 0.31 -0.36 0.29 -0.75 0.23 0.00 0.00 176.35 176.07 1lj0 s LYS 85 N -3.02 3.48 0.72 1.70 2.20 -1.26 -5.07 119.74 118.48 1lj0 s LYS 85 Ca 0.61 -0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.65 1lj0 s LYS 85 Cb -0.11 -2.95 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 1lj0 s LYS 85 CO 0.15 0.52 1.21 -2.14 -0.36 0.00 0.00 175.35 174.73 1lj0 s PRO 86 N -2.91 2.21 0.00 4.03 0.02 -1.26 -5.19 135.00 131.89 1lj0 s PRO 86 Ca 0.36 1.77 0.31 0.00 0.02 0.00 0.00 61.00 63.47 1lj0 s PRO 86 Cb -0.12 -1.84 1.86 0.00 0.02 0.00 0.00 34.50 34.42 1lj0 s PRO 86 CO 0.28 -1.79 2.19 1.63 -0.33 0.00 0.00 177.00 178.98