#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljz s VAL 2 N 0.00 4.18 -0.16 1.39 1.01 -1.26 -2.08 120.40 123.48 1ljz s VAL 2 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 1ljz s VAL 2 Cb 0.00 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 32.99 1ljz s VAL 2 CO 0.00 -0.20 0.71 0.00 0.00 0.00 0.00 175.10 175.61 1ljz s HIS 4 N -0.41 1.58 -0.10 0.00 3.76 -1.26 0.10 115.29 118.97 1ljz s HIS 4 Ca -0.05 0.02 -0.32 0.00 -0.15 0.00 0.00 55.06 54.57 1ljz s HIS 4 Cb -0.03 -3.57 0.12 0.00 1.11 0.00 0.00 32.58 30.22 1ljz s HIS 4 CO 0.05 -2.20 1.04 -0.08 -0.85 0.00 0.00 174.74 172.71 1ljz s THR 5 N -3.53 0.00 -0.37 1.30 -1.32 0.38 -4.42 115.64 107.68 1ljz s THR 5 Ca 0.70 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.21 1ljz s THR 5 Cb -0.04 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.05 1ljz s THR 5 CO 0.49 0.00 0.11 0.42 -2.21 0.00 0.00 174.62 173.43 1ljz s THR 6 N -2.67 1.87 0.00 5.08 -4.23 -1.26 0.12 115.64 114.55 1ljz s THR 6 Ca 0.07 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1ljz s THR 6 Cb -0.01 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1ljz s THR 6 CO -0.07 -0.68 0.00 0.00 -0.54 0.00 0.00 174.62 173.34 1ljz n ALA 7 N 4.18 0.25 -1.00 3.99 0.00 -1.26 -4.78 120.51 121.88 1ljz n ALA 7 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ljz n ALA 7 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1ljz n ALA 7 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ljz n THR 8 N -2.45 0.00 0.26 0.00 5.66 -1.26 -4.93 114.28 111.56 1ljz n THR 8 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1ljz n THR 8 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1ljz n THR 8 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1ljz h SER 9 N 0.00 -0.60 -4.03 1.09 0.02 -2.01 -3.46 113.55 104.56 1ljz h SER 9 Ca 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1ljz h SER 9 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ljz h SER 9 CO 0.00 -0.20 -0.01 -0.81 -1.14 0.00 0.00 176.83 174.67 1ljz n PRO 10 N -5.26 1.14 -2.16 3.45 -0.04 -1.26 -5.05 135.00 125.83 1ljz n PRO 10 Ca -0.09 -0.27 -0.42 0.00 -0.04 0.00 0.00 63.50 62.67 1ljz n PRO 10 Cb 0.30 -0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.73 1ljz n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ljz s ILE 11 N 0.36 3.28 0.58 0.52 1.01 -1.26 -4.41 121.20 121.28 1ljz s ILE 11 Ca 0.04 0.91 0.08 0.00 0.00 0.00 0.00 60.65 61.68 1ljz s ILE 11 Cb -0.00 -3.58 0.09 0.00 0.01 0.00 0.00 42.46 38.97 1ljz s ILE 11 CO 0.03 0.07 0.80 -0.94 0.00 0.00 0.00 174.94 174.90 1ljz s SER 12 N 1.16 5.04 -0.28 3.58 1.04 0.33 -4.87 113.70 119.71 1ljz s SER 12 Ca 0.65 -0.75 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 1ljz s SER 12 Cb -0.37 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.02 1ljz s SER 12 CO 0.30 -1.37 0.70 0.00 0.98 0.00 0.00 173.24 173.85 1ljz s ALA 13 N -2.71 -1.89 0.04 5.32 0.00 -1.26 0.14 121.76 121.41 1ljz s ALA 13 Ca 0.62 2.39 -0.01 0.00 0.00 0.00 0.00 51.96 54.96 1ljz s ALA 13 Cb -0.06 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1ljz s ALA 13 CO 0.39 -0.38 -0.03 0.14 0.00 0.00 0.00 175.76 175.89 1ljz s VAL 14 N 1.53 0.18 -0.15 0.00 -7.23 0.29 -4.92 120.40 110.11 1ljz s VAL 14 Ca -0.09 -1.50 -0.19 0.00 -1.81 0.00 0.00 61.98 58.39 1ljz s VAL 14 Cb -0.05 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1ljz s VAL 14 CO -0.18 -0.83 0.51 0.42 -0.31 0.00 0.00 175.10 174.71 1ljz s THR 15 N -3.07 5.14 -0.51 5.32 -4.23 -1.26 -0.92 115.64 116.11 1ljz s THR 15 Ca -0.01 0.99 -0.22 0.00 -1.18 0.00 0.00 61.69 61.28 1ljz s THR 15 Cb 0.02 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 70.06 1ljz s THR 15 CO -0.07 0.25 0.76 0.00 -0.54 0.00 0.00 174.62 175.03 1ljz h PRO 17 N 9.10 -0.15 0.00 0.00 0.11 -1.86 -3.36 132.00 135.83 1ljz h PRO 17 Ca -0.26 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1ljz h PRO 17 Cb 1.09 0.03 0.07 0.00 0.11 0.00 0.00 31.00 32.30 1ljz h PRO 17 CO 1.00 0.11 -0.05 -2.30 -0.21 0.00 0.00 178.00 176.54 1ljz n PRO 18 N -5.05 -1.95 0.13 1.05 -0.02 -1.26 -4.83 135.00 123.08 1ljz n PRO 18 Ca -0.09 -0.45 0.12 0.00 -2.02 0.00 0.00 63.50 61.06 1ljz n PRO 18 Cb 0.18 -0.68 0.49 0.00 -0.02 0.00 0.00 33.50 33.47 1ljz n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ljz n GLY 19 N -1.51 -1.27 3.51 -1.23 0.00 -1.26 -4.30 105.19 99.14 1ljz n GLY 19 Ca 0.04 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1ljz n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ljz s GLU 20 N -3.31 3.80 -0.01 1.61 1.03 -1.26 -4.65 118.70 115.91 1ljz s GLU 20 Ca 0.04 -1.85 0.02 0.00 0.03 0.00 0.00 54.97 53.22 1ljz s GLU 20 Cb 0.09 -5.21 0.04 0.00 -0.80 0.00 0.00 34.13 28.26 1ljz s GLU 20 CO 0.39 -1.99 1.03 0.09 -1.33 0.00 0.00 175.26 173.44 1ljz n ASN 21 N 7.35 2.08 -4.70 0.83 3.02 -1.24 -4.32 115.26 118.29 1ljz n ASN 21 Ca 0.35 -2.11 -0.41 0.00 -0.03 0.00 0.00 54.58 52.38 1ljz n ASN 21 Cb 0.47 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 1ljz n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ljz s LEU 22 N -1.20 4.30 -0.45 3.41 1.02 -0.74 -4.68 118.68 120.34 1ljz s LEU 22 Ca 0.04 1.35 -0.20 0.00 0.02 0.00 0.00 54.13 55.34 1ljz s LEU 22 Cb 0.03 -3.29 0.03 0.00 0.02 0.00 0.00 46.19 42.98 1ljz s LEU 22 CO 0.01 -0.23 0.64 0.00 0.02 0.00 0.00 176.35 176.78 1ljz s TYR 24 N 2.79 3.53 -0.74 0.00 -0.85 -0.74 -2.09 117.35 119.25 1ljz s TYR 24 Ca 0.21 0.37 -0.07 0.00 -0.52 0.00 0.00 57.07 57.07 1ljz s TYR 24 Cb -0.15 -1.85 0.19 0.00 0.38 0.00 0.00 41.96 40.54 1ljz s TYR 24 CO 0.18 0.60 0.61 0.50 -1.52 0.00 0.00 175.55 175.92 1ljz s ARG 25 N -2.20 3.05 -0.05 -3.49 3.00 -0.93 -2.77 118.95 115.56 1ljz s ARG 25 Ca 0.32 -2.63 -0.30 0.00 -1.00 0.00 0.00 55.73 52.12 1ljz s ARG 25 Cb -0.13 -4.02 -0.03 0.00 0.00 0.00 0.00 34.95 30.78 1ljz s ARG 25 CO 0.22 -1.23 1.08 0.21 0.00 0.00 0.00 175.30 175.58 1ljz s LYS 26 N -0.20 4.44 -0.10 5.12 2.47 -0.60 -2.24 119.74 128.62 1ljz s LYS 26 Ca 0.19 1.52 -0.07 0.00 -1.56 0.00 0.00 55.97 56.05 1ljz s LYS 26 Cb -0.15 -3.50 0.03 0.00 -1.46 0.00 0.00 37.83 32.75 1ljz s LYS 26 CO -0.06 -0.28 0.25 -1.64 0.16 0.00 0.00 175.35 173.77 1ljz s MET 27 N 1.73 0.26 0.00 4.03 -1.94 -0.69 -0.25 119.30 122.44 1ljz s MET 27 Ca 0.52 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.94 1ljz s MET 27 Cb -0.22 0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.65 1ljz s MET 27 CO 0.23 -0.09 0.00 -2.67 -0.01 0.00 0.00 175.02 172.48 1ljz n TRP 28 N 3.51 0.00 -3.65 -0.03 2.14 -1.05 -0.01 117.44 118.35 1ljz n TRP 28 Ca -0.18 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.01 1ljz n TRP 28 Cb 0.56 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.95 1ljz n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1ljz n ASP 30 N 4.88 0.00 0.00 0.00 2.03 -0.56 -4.70 116.55 118.20 1ljz n ASP 30 Ca -0.15 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.65 1ljz n ASP 30 Cb 0.52 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1ljz n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ljz n ALA 31 N 2.49 0.00 0.04 -1.67 0.00 -0.88 -2.49 120.51 117.99 1ljz n ALA 31 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 1ljz n ALA 31 Cb 0.48 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.13 1ljz n ALA 31 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ljz h PHE 32 N 0.00 0.48 -0.04 0.00 3.57 0.26 17.52 116.94 138.74 1ljz h PHE 32 Ca 0.00 -0.11 -0.19 0.00 3.53 0.00 0.00 57.97 61.20 1ljz h PHE 32 Cb 0.00 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1ljz h PHE 32 CO 0.00 0.69 -0.79 0.00 -2.23 0.00 0.00 178.31 175.98 1ljz n SER 34 N -3.77 0.00 0.03 0.00 2.88 -0.04 -5.06 113.62 107.65 1ljz n SER 34 Ca -0.04 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ljz n SER 34 Cb 0.74 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1ljz n SER 34 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ljz n SER 35 N -1.33 -0.10 0.00 -3.46 3.41 5.36 -4.98 113.62 112.52 1ljz n SER 35 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1ljz n SER 35 Cb 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1ljz n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ljz n ARG 36 N -2.68 0.00 0.00 4.33 1.74 0.88 -4.59 116.66 116.34 1ljz n ARG 36 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ljz n ARG 36 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 1ljz n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ljz n GLY 37 N 2.28 3.95 3.98 -0.13 0.00 -1.04 -4.07 105.19 110.16 1ljz n GLY 37 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1ljz n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ljz s LYS 38 N 1.07 1.50 -0.03 1.61 3.01 -1.26 0.23 119.74 125.87 1ljz s LYS 38 Ca 0.00 -1.02 -0.07 0.00 -1.01 0.00 0.00 55.97 53.87 1ljz s LYS 38 Cb 0.00 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.52 1ljz s LYS 38 CO 0.00 -1.61 0.23 0.08 0.51 0.00 0.00 175.35 174.56 1ljz s VAL 39 N -3.26 5.36 -0.21 3.17 1.01 0.21 -4.34 120.40 122.33 1ljz s VAL 39 Ca 0.68 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 1ljz s VAL 39 Cb -0.05 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.87 1ljz s VAL 39 CO 0.46 0.44 0.05 -0.69 0.00 0.00 0.00 175.10 175.35 1ljz s VAL 40 N -1.22 0.52 -0.14 2.92 1.01 -1.26 -2.53 120.40 119.70 1ljz s VAL 40 Ca 0.24 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ljz s VAL 40 Cb -0.13 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ljz s VAL 40 CO 0.13 -0.28 -0.17 -0.70 0.00 0.00 0.00 175.10 174.09 1ljz s GLU 41 N 1.85 2.51 -0.17 2.72 2.56 0.66 -4.98 118.70 123.84 1ljz s GLU 41 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 54.97 54.19 1ljz s GLU 41 Cb -0.17 -2.19 -0.05 0.00 2.00 0.00 0.00 34.13 33.73 1ljz s GLU 41 CO -0.11 -0.16 0.26 -0.51 -0.56 0.00 0.00 175.26 174.19 1ljz s LEU 42 N 1.24 4.23 0.25 2.70 1.43 -1.26 -1.56 118.68 125.71 1ljz s LEU 42 Ca 0.01 0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1ljz s LEU 42 Cb -0.14 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1ljz s LEU 42 CO -0.08 0.10 0.35 -0.83 0.23 0.00 0.00 176.35 176.13 1ljz s GLY 43 N 0.50 1.09 -0.08 -3.19 0.00 -1.12 -4.15 107.32 100.37 1ljz s GLY 43 Ca 0.15 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 1ljz s GLY 43 CO 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 173.10 172.15 1ljz s ALA 45 N 2.00 0.68 -0.13 0.00 0.00 -0.05 -4.90 121.76 119.36 1ljz s ALA 45 Ca 0.05 -1.45 0.14 0.00 0.00 0.00 0.00 51.96 50.70 1ljz s ALA 45 Cb -0.13 1.17 -0.21 0.00 0.00 0.00 0.00 23.12 23.96 1ljz s ALA 45 CO -0.05 -0.78 0.11 0.00 0.00 0.00 0.00 175.76 175.04 1ljz n ALA 46 N -0.51 1.81 -2.07 0.00 0.00 -1.26 -1.79 120.51 116.68 1ljz n ALA 46 Ca 0.01 -0.91 -0.40 0.00 0.00 0.00 0.00 53.44 52.14 1ljz n ALA 46 Cb 0.62 -0.18 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 1ljz n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ljz n THR 47 N -2.48 5.31 -0.33 0.00 5.66 -1.26 -4.82 114.28 116.36 1ljz n THR 47 Ca -0.21 -4.50 0.06 0.00 -3.05 0.00 0.00 64.05 56.35 1ljz n THR 47 Cb 0.90 -2.03 0.14 0.00 -1.55 0.00 0.00 70.33 67.78 1ljz n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ljz n PRO 49 N -5.49 0.04 -0.01 0.00 -0.02 -1.26 -4.83 135.00 123.42 1ljz n PRO 49 Ca 0.15 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1ljz n PRO 49 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ljz n PRO 49 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ljz n SER 50 N 10.97 0.00 -4.45 2.55 7.64 -1.25 -4.95 113.62 124.13 1ljz n SER 50 Ca 0.21 -0.19 -0.44 0.00 1.01 0.00 0.00 58.87 59.45 1ljz n SER 50 Cb 0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 1ljz n SER 50 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1ljz s LYS 51 N -0.50 3.84 0.16 1.43 0.00 -1.26 -4.77 119.74 118.64 1ljz s LYS 51 Ca 0.00 -2.21 0.21 0.00 0.00 0.00 0.00 55.97 53.98 1ljz s LYS 51 Cb 0.00 -4.96 -0.05 0.00 0.00 0.00 0.00 37.83 32.83 1ljz s LYS 51 CO 0.00 -1.74 0.96 1.17 0.00 0.00 0.00 175.35 175.75 1ljz n LYS 52 N 5.93 0.61 -0.55 1.78 0.00 -1.26 -3.61 118.16 121.07 1ljz n LYS 52 Ca 0.29 0.13 0.42 0.00 0.00 0.00 0.00 58.31 59.15 1ljz n LYS 52 Cb 0.46 -1.81 0.66 0.00 0.00 0.00 0.00 35.03 34.34 1ljz n LYS 52 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ljz n PRO 53 N -2.70 -0.01 0.04 1.64 -0.02 -1.26 -2.85 135.00 129.84 1ljz n PRO 53 Ca -0.02 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ljz n PRO 53 Cb 0.62 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1ljz n PRO 53 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1ljz n TYR 54 N -3.80 -0.21 -2.07 6.00 4.19 -1.26 -5.09 117.16 114.91 1ljz n TYR 54 Ca 0.37 0.04 -0.28 0.00 3.31 0.00 0.00 57.90 61.33 1ljz n TYR 54 Cb 1.60 0.08 0.16 0.00 0.49 0.00 0.00 39.34 41.67 1ljz n TYR 54 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1ljz s GLU 55 N -2.00 0.93 -0.40 2.98 8.01 -1.13 -5.03 118.70 122.05 1ljz s GLU 55 Ca 0.00 -0.54 -0.07 0.00 0.01 0.00 0.00 54.97 54.38 1ljz s GLU 55 Cb 0.00 -1.96 0.08 0.00 -4.31 0.00 0.00 34.13 27.95 1ljz s GLU 55 CO 0.00 -2.17 0.21 -2.00 0.01 0.00 0.00 175.26 171.31 1ljz s GLU 56 N -5.71 2.42 -0.25 1.61 2.56 0.99 -4.12 118.70 116.20 1ljz s GLU 56 Ca 0.72 -1.53 -0.09 0.00 0.00 0.00 0.00 54.97 54.07 1ljz s GLU 56 Cb -0.04 -3.65 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 1ljz s GLU 56 CO 0.51 -0.94 0.12 0.14 -0.56 0.00 0.00 175.26 174.52 1ljz s VAL 57 N 1.33 4.77 0.27 3.70 -7.23 -1.26 -1.70 120.40 120.28 1ljz s VAL 57 Ca 0.03 -0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1ljz s VAL 57 Cb -0.23 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 1ljz s VAL 57 CO -0.00 0.32 0.32 -0.89 -0.31 0.00 0.00 175.10 174.54 1ljz s THR 58 N 1.50 4.55 -0.06 5.32 2.01 -0.95 -4.88 115.64 123.14 1ljz s THR 58 Ca 0.06 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 60.86 1ljz s THR 58 Cb -0.15 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.85 1ljz s THR 58 CO 0.06 -0.28 0.10 0.00 -0.69 0.00 0.00 174.62 173.80 1ljz n SER 61 N 3.54 5.94 -3.86 0.00 2.88 -1.26 -0.81 113.62 120.04 1ljz n SER 61 Ca -0.19 -3.60 -0.11 0.00 -1.33 0.00 0.00 58.87 53.64 1ljz n SER 61 Cb 0.56 -0.96 -0.11 0.00 -0.75 0.00 0.00 64.21 62.95 1ljz n SER 61 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ljz s THR 62 N -3.80 0.06 -0.50 2.46 -1.32 -1.26 -5.04 115.64 106.24 1ljz s THR 62 Ca 0.40 -0.49 -0.44 0.00 -1.21 0.00 0.00 61.69 59.95 1ljz s THR 62 Cb 0.18 -0.36 -0.19 0.00 -1.51 0.00 0.00 72.50 70.62 1ljz s THR 62 CO -0.07 -0.27 2.07 0.47 -2.21 0.00 0.00 174.62 174.62 1ljz n ASP 63 N 1.93 0.78 -4.14 8.08 8.00 -1.26 -0.07 116.55 129.88 1ljz n ASP 63 Ca -0.20 0.72 -0.30 0.00 0.71 0.00 0.00 54.79 55.72 1ljz n ASP 63 Cb 0.57 -0.89 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1ljz n ASP 63 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ljz n LYS 64 N 7.13 -1.83 -0.11 -1.24 0.00 0.15 -4.81 118.16 117.44 1ljz n LYS 64 Ca 0.52 0.23 0.02 0.00 -0.00 0.00 0.00 58.31 59.08 1ljz n LYS 64 Cb -0.04 -3.90 0.06 0.00 -0.00 0.00 0.00 35.03 31.15 1ljz n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ljz n ASN 66 N -0.01 4.97 -4.90 0.00 6.94 -1.26 -4.89 115.26 116.12 1ljz n ASN 66 Ca 0.05 -3.33 -0.28 0.00 -0.02 0.00 0.00 54.58 51.00 1ljz n ASN 66 Cb 0.26 -1.04 -0.02 0.00 -2.36 0.00 0.00 39.78 36.63 1ljz n ASN 66 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ljz s PRO 67 N -2.23 3.64 0.31 -0.53 0.04 -1.26 -4.75 135.00 130.23 1ljz s PRO 67 Ca 0.33 0.23 -0.27 0.00 0.04 0.00 0.00 61.00 61.33 1ljz s PRO 67 Cb 0.04 -2.44 -0.13 0.00 0.04 0.00 0.00 34.50 32.00 1ljz s PRO 67 CO -0.00 -0.05 1.03 1.58 0.04 0.00 0.00 177.00 179.59 1ljz n HIS 68 N -1.65 1.32 0.00 0.56 -0.00 -1.26 -4.96 115.22 109.22 1ljz n HIS 68 Ca 0.01 0.67 0.00 0.00 0.46 0.00 0.00 57.72 58.85 1ljz n HIS 68 Cb 0.55 -2.26 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 1ljz n HIS 68 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1ljz n PRO 69 N 0.63 0.00 0.17 1.57 -0.04 -1.26 -4.08 135.00 131.99 1ljz n PRO 69 Ca 0.09 0.41 0.02 0.00 -0.04 0.00 0.00 63.50 63.98 1ljz n PRO 69 Cb 0.33 -1.18 0.29 0.00 -0.04 0.00 0.00 33.50 32.90 1ljz n PRO 69 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ljz h LYS 70 N 0.00 0.00 -6.78 0.54 1.79 -2.03 -3.45 116.57 106.64 1ljz h LYS 70 Ca 0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 1ljz h LYS 70 Cb 0.00 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.70 1ljz h LYS 70 CO 0.00 0.47 -0.05 -0.65 -1.08 0.00 0.00 179.45 178.14 1ljz s GLN 71 N -3.90 2.17 0.00 3.15 -0.21 -1.26 -4.74 119.66 114.87 1ljz s GLN 71 Ca -0.02 -1.39 0.00 0.00 0.02 0.00 0.00 55.36 53.97 1ljz s GLN 71 Cb 0.13 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1ljz s GLN 71 CO 0.73 -0.98 0.00 2.89 -2.12 0.00 0.00 175.29 175.81 1ljz n ARG 72 N -2.40 0.00 -1.24 2.91 1.85 -1.26 -4.43 116.66 112.09 1ljz n ARG 72 Ca 0.14 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.79 1ljz n ARG 72 Cb 0.61 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.94 1ljz n ARG 72 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1ljz n PRO 73 N 0.00 2.16 0.00 2.89 -0.04 -1.26 -5.12 135.00 133.63 1ljz n PRO 73 Ca 0.00 -1.77 0.07 0.00 -0.04 0.00 0.00 63.50 61.76 1ljz n PRO 73 Cb 0.00 -2.00 0.44 0.00 -0.04 0.00 0.00 33.50 31.90 1ljz n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87