#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 4.75 -0.10 7.28 1.01 -1.26 -1.14 120.40 130.95 1ljz s VAL 2 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1ljz s VAL 2 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1ljz s VAL 2 CO 0.00 -0.28 0.26 0.00 0.00 0.00 0.00 175.10 175.08 1ljz s HIS 4 N 0.18 3.93 0.68 0.00 3.76 -1.26 -1.11 115.29 121.47 1ljz s HIS 4 Ca -0.00 -2.38 -0.04 0.00 -0.15 0.00 0.00 55.06 52.49 1ljz s HIS 4 Cb -0.02 -4.00 0.07 0.00 1.11 0.00 0.00 32.58 29.75 1ljz s HIS 4 CO -0.00 -1.11 0.96 -0.08 -0.85 0.00 0.00 174.74 173.66 1ljz s THR 5 N -0.07 2.35 -0.29 1.30 -1.32 0.54 -4.31 115.64 113.84 1ljz s THR 5 Ca 0.33 -0.43 -0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1ljz s THR 5 Cb -0.08 -2.91 0.09 0.00 -1.51 0.00 0.00 72.50 68.09 1ljz s THR 5 CO -0.06 0.00 0.06 0.42 -2.21 0.00 0.00 174.62 172.83 1ljz s THR 6 N -3.12 1.08 0.00 5.08 -4.23 -0.41 0.12 115.64 114.16 1ljz s THR 6 Ca 0.61 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1ljz s THR 6 Cb -0.09 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1ljz s THR 6 CO 0.43 -0.53 0.00 0.00 -0.54 0.00 0.00 174.62 173.98 1ljz n ALA 7 N 4.78 0.00 -1.07 3.99 0.00 -1.26 -4.66 120.51 122.29 1ljz n ALA 7 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ljz n ALA 7 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1ljz n ALA 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ljz n THR 8 N -0.33 0.00 0.22 0.00 -2.24 -1.26 -4.98 114.28 105.69 1ljz n THR 8 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1ljz n THR 8 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1ljz n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ljz h SER 9 N 0.00 -0.51 -2.94 3.42 0.02 -2.02 -3.46 113.55 108.06 1ljz h SER 9 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ljz h SER 9 Cb 0.00 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ljz h SER 9 CO 0.00 -0.22 0.00 -0.81 -1.14 0.00 0.00 176.83 174.66 1ljz n PRO 10 N -4.43 1.90 -1.76 3.45 -0.04 -1.26 -5.02 135.00 127.84 1ljz n PRO 10 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1ljz n PRO 10 Cb 0.24 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.70 1ljz n PRO 10 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ljz n ILE 11 N -0.54 2.32 -3.72 0.52 5.41 -1.26 -4.43 119.36 117.65 1ljz n ILE 11 Ca 0.00 -0.50 -0.37 0.00 1.00 0.00 0.00 62.75 62.88 1ljz n ILE 11 Cb 0.00 -1.86 -0.06 0.00 -0.71 0.00 0.00 39.64 37.01 1ljz n ILE 11 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1ljz s SER 12 N -0.30 6.49 -0.36 4.38 1.04 0.33 -4.87 113.70 120.41 1ljz s SER 12 Ca 0.57 0.58 0.03 0.00 0.48 0.00 0.00 55.95 57.60 1ljz s SER 12 Cb -0.48 -2.13 0.11 0.00 0.10 0.00 0.00 66.02 63.61 1ljz s SER 12 CO 0.61 0.32 0.10 0.00 0.98 0.00 0.00 173.24 175.26 1ljz s ALA 13 N -0.71 2.52 0.08 5.32 0.00 -1.26 0.20 121.76 127.92 1ljz s ALA 13 Ca 0.17 -2.39 0.09 0.00 0.00 0.00 0.00 51.96 49.83 1ljz s ALA 13 Cb -0.13 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 1ljz s ALA 13 CO 0.06 -1.75 -0.25 0.14 0.00 0.00 0.00 175.76 173.96 1ljz s VAL 14 N 0.92 2.01 0.34 0.00 -7.23 -0.27 -4.88 120.40 111.29 1ljz s VAL 14 Ca 0.12 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 58.59 1ljz s VAL 14 Cb -0.20 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 1ljz s VAL 14 CO -0.11 0.18 0.85 0.28 -0.31 0.00 0.00 175.10 175.98 1ljz s THR 15 N -0.94 4.46 0.36 5.32 -1.32 -1.26 -0.78 115.64 121.48 1ljz s THR 15 Ca 0.11 1.37 -0.05 0.00 -1.21 0.00 0.00 61.69 61.91 1ljz s THR 15 Cb -0.10 -3.74 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1ljz s THR 15 CO 0.04 -0.08 0.64 0.00 -2.21 0.00 0.00 174.62 173.00 1ljz s PRO 17 N -3.96 0.19 0.33 0.00 0.04 -1.15 -4.34 135.00 126.11 1ljz s PRO 17 Ca 0.45 -0.22 0.03 0.00 0.04 0.00 0.00 61.00 61.30 1ljz s PRO 17 Cb -0.10 -1.78 0.62 0.00 0.04 0.00 0.00 34.50 33.28 1ljz s PRO 17 CO 0.34 -2.74 1.94 -1.35 0.04 0.00 0.00 177.00 175.23 1ljz h PRO 18 N -1.88 0.88 0.00 0.56 0.11 -2.01 -3.34 132.00 126.32 1ljz h PRO 18 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ljz h PRO 18 Cb 1.26 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ljz h PRO 18 CO 0.40 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 1ljz n GLY 19 N -1.42 -0.58 3.71 -0.55 0.00 -1.26 -4.77 105.19 100.32 1ljz n GLY 19 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.37 4.46 -0.01 1.61 4.04 -1.25 -4.91 118.70 122.26 1ljz s GLU 20 Ca 0.00 1.11 0.02 0.00 0.04 0.00 0.00 54.97 56.14 1ljz s GLU 20 Cb 0.00 -3.47 0.03 0.00 0.02 0.00 0.00 34.13 30.71 1ljz s GLU 20 CO 0.00 -0.05 0.97 0.09 -1.84 0.00 0.00 175.26 174.44 1ljz n ASN 21 N 4.08 0.26 -4.91 0.83 3.02 -1.18 -2.94 115.26 114.42 1ljz n ASN 21 Ca 0.03 -2.03 -0.27 0.00 -0.03 0.00 0.00 54.58 52.27 1ljz n ASN 21 Cb 0.51 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1ljz n ASN 21 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ljz s LEU 22 N -0.31 3.98 -0.26 3.41 0.20 0.23 -4.56 118.68 121.36 1ljz s LEU 22 Ca 0.03 0.70 0.02 0.00 0.69 0.00 0.00 54.13 55.57 1ljz s LEU 22 Cb 0.03 -3.55 0.07 0.00 -0.43 0.00 0.00 46.19 42.31 1ljz s LEU 22 CO 0.00 -0.28 -0.03 0.00 -0.29 0.00 0.00 176.35 175.75 1ljz s TYR 24 N 1.28 3.38 -0.56 0.00 1.13 -0.49 -0.90 117.35 121.19 1ljz s TYR 24 Ca -0.02 0.24 0.04 0.00 -1.41 0.00 0.00 57.07 55.92 1ljz s TYR 24 Cb -0.19 -2.01 0.15 0.00 -1.10 0.00 0.00 41.96 38.81 1ljz s TYR 24 CO -0.08 -0.02 0.36 1.03 -2.51 0.00 0.00 175.55 174.33 1ljz s ARG 25 N -4.36 1.85 -0.31 -3.49 0.52 -0.93 -2.56 118.95 109.67 1ljz s ARG 25 Ca 0.43 -2.69 -0.29 0.00 -0.52 0.00 0.00 55.73 52.66 1ljz s ARG 25 Cb -0.10 -2.85 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 1ljz s ARG 25 CO 0.36 -1.23 1.68 0.15 0.02 0.00 0.00 175.30 176.28 1ljz s LYS 26 N -0.55 3.50 -0.02 3.54 -0.14 -0.87 -2.48 119.74 122.72 1ljz s LYS 26 Ca 0.23 1.41 0.04 0.00 -1.36 0.00 0.00 55.97 56.28 1ljz s LYS 26 Cb -0.13 -4.12 -0.01 0.00 -1.68 0.00 0.00 37.83 31.89 1ljz s LYS 26 CO -0.09 -1.66 -0.13 1.41 -0.76 0.00 0.00 175.35 174.12 1ljz s MET 27 N 5.27 1.16 0.00 1.68 1.75 -0.61 -0.34 119.30 128.21 1ljz s MET 27 Ca 0.75 -0.47 0.00 0.00 -1.25 0.00 0.00 55.69 54.71 1ljz s MET 27 Cb -0.22 -1.10 0.00 0.00 2.84 0.00 0.00 34.83 36.35 1ljz s MET 27 CO 0.32 0.26 0.00 -2.67 -0.65 0.00 0.00 175.02 172.28 1ljz n TRP 28 N 2.88 0.00 -3.12 4.11 2.14 -1.07 -0.06 117.44 122.31 1ljz n TRP 28 Ca -0.15 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 58.99 1ljz n TRP 28 Cb 0.55 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.98 1ljz n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1ljz s ASP 30 N 1.97 1.23 0.00 0.00 -1.08 -0.88 -4.81 116.67 113.09 1ljz s ASP 30 Ca 0.22 -2.95 0.00 0.00 -0.52 0.00 0.00 52.55 49.30 1ljz s ASP 30 Cb -0.14 -0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.05 1ljz s ASP 30 CO 0.18 -0.17 0.00 0.00 0.52 0.00 0.00 175.17 175.71 1ljz n ALA 31 N 2.88 0.00 -0.17 3.66 0.00 -0.99 -2.66 120.51 123.24 1ljz n ALA 31 Ca 0.29 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.62 1ljz n ALA 31 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 1.15 0.00 0.00 3.57 0.11 7.58 116.94 129.34 1ljz h PHE 32 Ca 0.00 -0.26 -0.12 0.00 3.53 0.00 0.00 57.97 61.12 1ljz h PHE 32 Cb 0.00 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1ljz h PHE 32 CO 0.00 1.09 -0.58 0.00 -2.23 0.00 0.00 178.31 176.59 1ljz n SER 34 N -3.28 0.00 0.00 0.00 2.88 -0.67 -5.05 113.62 107.50 1ljz n SER 34 Ca 0.01 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1ljz n SER 34 Cb 0.75 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.32 0.00 0.00 -3.46 3.41 2.35 -4.98 113.62 109.61 1ljz n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ljz n SER 35 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.35 0.00 -0.03 4.33 1.74 0.35 -4.70 116.66 115.99 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 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 3.21 3.39 3.93 -0.13 0.00 -1.09 -3.99 105.19 110.52 1ljz n GLY 37 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 0.92 0.85 -0.10 1.61 3.01 -1.26 0.14 119.74 124.92 1ljz s LYS 38 Ca 0.00 -0.41 -0.06 0.00 -1.01 0.00 0.00 55.97 54.49 1ljz s LYS 38 Cb 0.00 -1.89 -0.04 0.00 -1.01 0.00 0.00 37.83 34.89 1ljz s LYS 38 CO 0.00 -2.26 0.13 0.08 0.51 0.00 0.00 175.35 173.81 1ljz s VAL 39 N -3.80 5.37 -0.20 3.17 1.01 0.27 -4.47 120.40 121.75 1ljz s VAL 39 Ca 0.72 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 1ljz s VAL 39 Cb -0.05 -3.36 0.06 0.00 0.00 0.00 0.00 36.38 33.04 1ljz s VAL 39 CO 0.52 0.57 0.01 -0.69 0.00 0.00 0.00 175.10 175.51 1ljz s VAL 40 N -1.06 0.79 -0.44 2.92 1.01 -1.25 -2.61 120.40 119.76 1ljz s VAL 40 Ca 0.17 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1ljz s VAL 40 Cb -0.12 -1.23 0.15 0.00 0.00 0.00 0.00 36.38 35.18 1ljz s VAL 40 CO 0.06 -0.17 0.29 -0.70 0.00 0.00 0.00 175.10 174.58 1ljz s GLU 41 N 1.74 1.11 0.19 2.72 2.56 0.54 -4.96 118.70 122.60 1ljz s GLU 41 Ca -0.02 -2.02 -0.30 0.00 0.00 0.00 0.00 54.97 52.63 1ljz s GLU 41 Cb -0.17 -1.90 -0.08 0.00 2.00 0.00 0.00 34.13 33.98 1ljz s GLU 41 CO -0.07 -1.26 0.98 -0.51 -0.56 0.00 0.00 175.26 173.84 1ljz s LEU 42 N 0.24 4.57 0.00 2.70 1.43 -1.26 -2.04 118.68 124.32 1ljz s LEU 42 Ca 0.23 1.95 -0.06 0.00 -1.03 0.00 0.00 54.13 55.22 1ljz s LEU 42 Cb -0.13 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.51 1ljz s LEU 42 CO -0.08 0.01 0.34 0.61 0.23 0.00 0.00 176.35 177.46 1ljz n GLY 43 N 1.78 1.57 3.53 -3.19 0.00 -1.06 -1.29 105.19 106.53 1ljz n GLY 43 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1ljz n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljz s ALA 45 N -1.14 -0.29 -0.11 0.00 0.00 0.12 -4.86 121.76 115.49 1ljz s ALA 45 Ca 0.19 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1ljz s ALA 45 Cb -0.11 1.04 -0.11 0.00 0.00 0.00 0.00 23.12 23.94 1ljz s ALA 45 CO 0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 175.76 174.99 1ljz n ALA 46 N -0.41 1.75 -3.02 0.00 0.00 -1.26 0.74 120.51 118.31 1ljz n ALA 46 Ca -0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.64 1ljz n ALA 46 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.51 -0.20 -1.47 0.00 5.66 -1.26 -4.85 114.28 109.65 1ljz n THR 47 Ca -0.18 -3.34 -0.40 0.00 -3.05 0.00 0.00 64.05 57.08 1ljz n THR 47 Cb 0.80 0.09 -0.15 0.00 -1.55 0.00 0.00 70.33 69.53 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 8.28 -1.59 -2.64 0.00 -0.02 -1.26 -4.96 135.00 132.82 1ljz n PRO 49 Ca 0.65 -0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1ljz n PRO 49 Cb 0.03 -1.06 -0.05 0.00 -0.02 0.00 0.00 33.50 32.40 1ljz n PRO 49 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ljz s SER 50 N -2.05 6.75 0.25 2.55 0.01 -1.26 -5.06 113.70 114.89 1ljz s SER 50 Ca 0.28 1.57 -0.10 0.00 1.31 0.00 0.00 55.95 59.00 1ljz s SER 50 Cb -0.05 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1ljz s SER 50 CO 0.23 -0.46 0.58 -1.59 0.41 0.00 0.00 173.24 172.41 1ljz s LYS 51 N -3.63 3.82 0.86 12.44 0.00 -1.26 -5.08 119.74 126.88 1ljz s LYS 51 Ca 0.59 0.32 -0.12 0.00 0.00 0.00 0.00 55.97 56.77 1ljz s LYS 51 Cb -0.10 -2.61 0.11 0.00 0.00 0.00 0.00 37.83 35.23 1ljz s LYS 51 CO 0.23 0.29 1.10 -1.59 0.00 0.00 0.00 175.35 175.38 1ljz s LYS 52 N -2.88 1.59 -0.65 1.78 -2.85 -1.26 -4.86 119.74 110.61 1ljz s LYS 52 Ca 0.48 0.68 -0.05 0.00 -1.00 0.00 0.00 55.97 56.08 1ljz s LYS 52 Cb -0.11 -1.86 -0.07 0.00 -2.06 0.00 0.00 37.83 33.73 1ljz s LYS 52 CO 0.21 -1.98 2.06 -0.35 0.10 0.00 0.00 175.35 175.40 1ljz n PRO 53 N -3.68 1.73 0.00 1.78 -0.04 -1.26 -2.82 135.00 130.71 1ljz n PRO 53 Ca 0.07 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1ljz n PRO 53 Cb 0.56 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1ljz n PRO 53 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ljz n TYR 54 N 3.88 -0.03 -2.57 0.54 4.19 -1.26 -5.15 117.16 116.76 1ljz n TYR 54 Ca 0.37 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 61.26 1ljz n TYR 54 Cb 0.21 0.01 -0.04 0.00 0.49 0.00 0.00 39.34 40.01 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 -1.24 3.96 -0.31 2.98 2.02 -1.13 -4.86 118.70 120.11 1ljz s GLU 55 Ca 0.00 0.88 0.02 0.00 0.02 0.00 0.00 54.97 55.89 1ljz s GLU 55 Cb 0.00 -2.20 0.09 0.00 0.10 0.00 0.00 34.13 32.12 1ljz s GLU 55 CO 0.00 -0.18 0.04 -2.00 0.02 0.00 0.00 175.26 173.15 1ljz s GLU 56 N -3.86 1.33 -0.19 1.61 2.56 0.91 -4.45 118.70 116.61 1ljz s GLU 56 Ca 0.58 -1.52 -0.03 0.00 0.00 0.00 0.00 54.97 53.99 1ljz s GLU 56 Cb -0.10 -2.79 -0.01 0.00 2.00 0.00 0.00 34.13 33.23 1ljz s GLU 56 CO 0.28 -0.89 -0.06 0.54 -0.56 0.00 0.00 175.26 174.57 1ljz s VAL 57 N 1.16 3.37 0.55 3.70 0.11 -1.25 -1.58 120.40 126.47 1ljz s VAL 57 Ca 0.07 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 1ljz s VAL 57 Cb -0.19 -2.50 0.03 0.00 -1.53 0.00 0.00 36.38 32.19 1ljz s VAL 57 CO -0.12 0.45 0.78 -0.89 -3.33 0.00 0.00 175.10 171.99 1ljz s THR 58 N 1.10 2.67 -0.13 5.04 2.01 -1.03 -4.83 115.64 120.47 1ljz s THR 58 Ca 0.01 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1ljz s THR 58 Cb -0.15 -3.01 0.06 0.00 0.01 0.00 0.00 72.50 69.42 1ljz s THR 58 CO -0.01 -0.01 0.15 0.00 -0.69 0.00 0.00 174.62 174.07 1ljz n SER 61 N 4.27 6.24 -3.90 0.00 3.41 -1.26 0.10 113.62 122.48 1ljz n SER 61 Ca -0.26 -3.64 -0.10 0.00 -0.26 0.00 0.00 58.87 54.61 1ljz n SER 61 Cb 0.50 -0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 1ljz n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ljz s THR 62 N -4.07 0.12 -0.08 6.66 -4.23 -1.26 -4.98 115.64 107.80 1ljz s THR 62 Ca 0.41 -0.96 -0.41 0.00 -1.18 0.00 0.00 61.69 59.55 1ljz s THR 62 Cb 0.19 -0.76 -0.20 0.00 1.34 0.00 0.00 72.50 73.07 1ljz s THR 62 CO -0.09 -0.53 1.15 0.47 -0.54 0.00 0.00 174.62 175.07 1ljz n ASP 63 N 0.95 0.18 -3.48 3.99 9.92 -1.25 -0.98 116.55 125.88 1ljz n ASP 63 Ca -0.20 1.16 -0.17 0.00 -0.53 0.00 0.00 54.79 55.05 1ljz n ASP 63 Cb 0.58 -0.91 -0.05 0.00 -0.64 0.00 0.00 41.12 40.10 1ljz n ASP 63 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ljz n LYS 64 N 1.89 -0.94 -0.03 -1.24 -0.00 -0.17 -4.76 118.16 112.90 1ljz n LYS 64 Ca 0.22 0.03 0.13 0.00 -0.00 0.00 0.00 58.31 58.68 1ljz n LYS 64 Cb 0.06 -1.79 0.46 0.00 -0.00 0.00 0.00 35.03 33.76 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 0.26 4.81 -1.69 0.00 6.94 -1.26 -4.90 115.26 119.42 1ljz n ASN 66 Ca 0.18 -3.43 0.00 0.00 -0.02 0.00 0.00 54.58 51.31 1ljz n ASN 66 Cb 0.35 -0.91 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 1ljz n ASN 66 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ljz n PRO 67 N 1.07 1.91 -3.08 -0.53 -0.04 -1.26 -4.31 135.00 128.76 1ljz n PRO 67 Ca 0.28 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.40 1ljz n PRO 67 Cb 0.38 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.78 1ljz n PRO 67 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ljz s HIS 68 N 0.89 3.46 -0.04 0.54 3.76 -1.26 -4.96 115.29 117.68 1ljz s HIS 68 Ca 0.00 1.33 -0.24 0.00 -0.15 0.00 0.00 55.06 56.00 1ljz s HIS 68 Cb 0.00 -2.61 -0.18 0.00 1.11 0.00 0.00 32.58 30.90 1ljz s HIS 68 CO 0.00 0.15 1.06 -1.00 -0.85 0.00 0.00 174.74 174.10 1ljz h PRO 69 N 2.61 -0.14 0.02 8.40 0.13 -1.98 -0.22 132.00 140.83 1ljz h PRO 69 Ca -0.48 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 1ljz h PRO 69 Cb 1.18 0.03 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ljz h PRO 69 CO 0.65 0.35 -1.06 -0.22 -0.23 0.00 0.00 178.00 177.49 1ljz h LYS 70 N -0.71 0.62 -0.03 0.86 3.64 -2.02 -3.13 116.57 115.80 1ljz h LYS 70 Ca -0.01 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1ljz h LYS 70 Cb 0.54 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1ljz h LYS 70 CO 0.02 1.29 0.00 1.04 -2.27 0.00 0.00 179.45 179.53 1ljz n GLN 71 N -3.82 1.21 0.27 1.90 6.02 -1.25 -4.16 117.38 117.55 1ljz n GLN 71 Ca -0.10 -0.30 -0.15 0.00 -0.01 0.00 0.00 57.00 56.43 1ljz n GLN 71 Cb 0.89 -1.40 -0.08 0.00 1.02 0.00 0.00 30.24 30.67 1ljz n GLN 71 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ljz h ARG 72 N 0.67 -0.83 -2.52 -1.09 9.65 -0.97 -2.98 114.38 116.31 1ljz h ARG 72 Ca 0.00 0.06 -0.35 0.00 -1.10 0.00 0.00 59.98 58.59 1ljz h ARG 72 Cb 0.14 0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1ljz h ARG 72 CO 0.00 -0.56 1.31 -0.35 2.80 0.00 0.00 179.97 183.18 1ljz n PRO 73 N -4.88 2.43 0.00 0.20 -0.04 -1.26 -5.01 135.00 126.44 1ljz n PRO 73 Ca -0.10 -1.37 0.14 0.00 -0.04 0.00 0.00 63.50 62.13 1ljz n PRO 73 Cb 0.38 -2.27 0.52 0.00 -0.04 0.00 0.00 33.50 32.09 1ljz n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87