#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 4.24 -0.17 7.28 1.01 -1.26 -1.84 120.40 129.66 1ljz s VAL 2 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1ljz s VAL 2 Cb 0.00 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.97 1ljz s VAL 2 CO 0.00 -0.22 0.34 0.00 0.00 0.00 0.00 175.10 175.22 1ljz n HIS 4 N 5.37 3.47 -3.38 0.00 8.25 -1.26 -1.00 115.22 126.67 1ljz n HIS 4 Ca -0.07 -2.10 -0.39 0.00 -0.26 0.00 0.00 57.72 54.91 1ljz n HIS 4 Cb 0.50 -2.57 -0.08 0.00 1.12 0.00 0.00 29.99 28.96 1ljz n HIS 4 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ljz s THR 5 N 7.62 5.18 -1.06 1.59 -1.32 -0.73 -4.54 115.64 122.39 1ljz s THR 5 Ca 0.61 0.66 -0.22 0.00 -1.21 0.00 0.00 61.69 61.53 1ljz s THR 5 Cb 0.03 -3.72 0.04 0.00 -1.51 0.00 0.00 72.50 67.33 1ljz s THR 5 CO 0.10 0.20 1.58 0.42 -2.21 0.00 0.00 174.62 174.71 1ljz s THR 6 N 1.68 3.89 0.00 5.08 -4.23 -0.74 -1.41 115.64 119.92 1ljz s THR 6 Ca 0.17 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1ljz s THR 6 Cb -0.15 -4.95 0.00 0.00 1.34 0.00 0.00 72.50 68.74 1ljz s THR 6 CO 0.09 -1.81 0.00 0.00 -0.54 0.00 0.00 174.62 172.36 1ljz n ALA 7 N 9.57 2.82 -1.52 3.99 0.00 -1.26 -4.58 120.51 129.54 1ljz n ALA 7 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ljz n ALA 7 Cb 0.49 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.60 0.00 0.25 0.00 -2.24 -1.26 -5.00 114.28 103.43 1ljz n THR 8 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1ljz n THR 8 Cb 0.23 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.59 -4.19 3.42 0.02 -2.00 -3.46 113.55 106.75 1ljz h SER 9 Ca 0.00 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1ljz h SER 9 Cb 0.00 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ljz h SER 9 CO 0.00 -0.23 -0.02 -0.81 -1.14 0.00 0.00 176.83 174.62 1ljz n PRO 10 N -4.90 1.11 -1.88 3.45 -0.04 -1.26 -5.01 135.00 126.46 1ljz n PRO 10 Ca -0.09 -0.50 -0.43 0.00 -0.04 0.00 0.00 63.50 62.45 1ljz n PRO 10 Cb 0.27 -0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 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 0.12 3.37 -0.41 0.52 -1.09 -1.26 -4.47 121.20 117.98 1ljz s ILE 11 Ca 0.08 0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 58.75 1ljz s ILE 11 Cb -0.01 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.53 1ljz s ILE 11 CO 0.05 -0.14 0.41 -0.94 -1.23 0.00 0.00 174.94 173.09 1ljz s SER 12 N 5.07 6.18 -0.17 3.58 1.04 -0.50 -4.91 113.70 123.98 1ljz s SER 12 Ca 0.82 -0.65 -0.25 0.00 0.48 0.00 0.00 55.95 56.36 1ljz s SER 12 Cb -0.32 -2.21 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 1ljz s SER 12 CO 0.34 -0.53 0.81 0.00 0.98 0.00 0.00 173.24 174.83 1ljz s ALA 13 N 2.05 3.51 -0.03 5.32 0.00 -1.26 -1.76 121.76 129.60 1ljz s ALA 13 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1ljz s ALA 13 Cb -0.17 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ljz s ALA 13 CO 0.13 -0.63 -0.14 0.14 0.00 0.00 0.00 175.76 175.26 1ljz s VAL 14 N 2.09 1.15 -0.28 0.00 -7.23 -0.17 -4.83 120.40 111.12 1ljz s VAL 14 Ca 0.37 -0.59 -0.17 0.00 -1.81 0.00 0.00 61.98 59.78 1ljz s VAL 14 Cb -0.16 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1ljz s VAL 14 CO 0.12 0.33 0.49 0.42 -0.31 0.00 0.00 175.10 176.15 1ljz s THR 15 N -0.08 5.08 -0.59 5.32 -4.23 -1.26 -0.34 115.64 119.54 1ljz s THR 15 Ca 0.00 0.70 -0.21 0.00 -1.18 0.00 0.00 61.69 61.00 1ljz s THR 15 Cb -0.08 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 69.99 1ljz s THR 15 CO 0.01 0.03 0.82 0.00 -0.54 0.00 0.00 174.62 174.93 1ljz h PRO 17 N 9.29 0.08 0.00 0.00 0.11 -1.86 -3.38 132.00 136.23 1ljz h PRO 17 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ljz h PRO 17 Cb 1.08 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ljz h PRO 17 CO 1.09 0.38 0.00 -2.30 -0.21 0.00 0.00 178.00 176.97 1ljz n PRO 18 N -4.88 0.14 -0.01 1.05 -0.02 -1.26 -4.88 135.00 125.15 1ljz n PRO 18 Ca -0.07 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 1ljz n PRO 18 Cb 0.19 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.76 1ljz n PRO 18 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ljz h GLY 19 N -0.45 0.62 -6.77 -1.23 0.00 -2.00 -3.41 103.07 89.82 1ljz h GLY 19 Ca 0.00 -0.64 -0.56 0.00 0.00 0.00 0.00 47.33 46.13 1ljz h GLY 19 CO 0.00 0.58 0.98 -1.83 0.00 0.00 0.00 176.54 176.27 1ljz s GLU 20 N -4.19 3.64 0.00 4.80 -1.05 -1.26 -4.75 118.70 115.89 1ljz s GLU 20 Ca -0.07 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1ljz s GLU 20 Cb 0.12 -3.96 0.00 0.00 -0.44 0.00 0.00 34.13 29.85 1ljz s GLU 20 CO 0.83 -1.49 0.45 0.09 0.95 0.00 0.00 175.26 176.09 1ljz n ASN 21 N 8.26 0.14 -4.71 0.83 3.02 -0.91 -4.76 115.26 117.14 1ljz n ASN 21 Ca 0.13 -1.06 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 1ljz n ASN 21 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.06 4.36 -0.39 3.41 0.20 0.27 -4.58 118.68 121.88 1ljz s LEU 22 Ca 0.00 2.27 -0.15 0.00 0.69 0.00 0.00 54.13 56.93 1ljz s LEU 22 Cb 0.00 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.19 1ljz s LEU 22 CO 0.00 -0.64 0.33 0.00 -0.29 0.00 0.00 176.35 175.75 1ljz s TYR 24 N 1.83 3.47 -0.51 0.00 1.13 -0.93 -0.92 117.35 121.41 1ljz s TYR 24 Ca 0.07 0.32 0.04 0.00 -1.41 0.00 0.00 57.07 56.09 1ljz s TYR 24 Cb -0.18 -1.81 0.16 0.00 -1.10 0.00 0.00 41.96 39.03 1ljz s TYR 24 CO 0.11 0.62 0.36 1.03 -2.51 0.00 0.00 175.55 175.16 1ljz s ARG 25 N -1.82 1.52 0.21 -3.49 0.52 -1.01 -2.41 118.95 112.45 1ljz s ARG 25 Ca 0.25 -2.47 -0.01 0.00 -0.52 0.00 0.00 55.73 52.98 1ljz s ARG 25 Cb -0.12 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1ljz s ARG 25 CO 0.16 -1.28 0.40 -1.59 0.02 0.00 0.00 175.30 173.01 1ljz s LYS 26 N -0.33 3.53 -0.06 3.54 0.00 -1.10 -2.45 119.74 122.88 1ljz s LYS 26 Ca 0.25 -0.30 -0.16 0.00 0.00 0.00 0.00 55.97 55.77 1ljz s LYS 26 Cb -0.08 -2.82 0.03 0.00 0.00 0.00 0.00 37.83 34.96 1ljz s LYS 26 CO -0.12 0.39 0.38 -1.64 0.00 0.00 0.00 175.35 174.35 1ljz s MET 27 N -3.31 0.65 0.00 1.78 -1.94 0.11 -2.65 119.30 113.95 1ljz s MET 27 Ca 0.39 0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 1ljz s MET 27 Cb -0.11 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.03 1ljz s MET 27 CO 0.29 -0.16 0.00 -2.67 -0.01 0.00 0.00 175.02 172.47 1ljz n TRP 28 N 1.73 0.00 -3.85 -0.03 2.14 -1.07 0.42 117.44 116.78 1ljz n TRP 28 Ca -0.19 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.02 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 4.43 2.96 0.00 0.00 8.00 -0.59 -4.64 116.55 126.71 1ljz n ASP 30 Ca -0.16 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 51.98 1ljz n ASP 30 Cb 0.52 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1ljz n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ljz n ALA 31 N -0.08 0.00 0.14 2.24 0.00 -0.69 -2.62 120.51 119.50 1ljz n ALA 31 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.59 1ljz n ALA 31 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.35 0.00 0.00 3.57 0.69 14.49 116.94 135.34 1ljz h PHE 32 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ljz h PHE 32 Cb 0.00 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1ljz h PHE 32 CO 0.00 -0.00 -0.08 0.00 -2.23 0.00 0.00 178.31 176.00 1ljz n SER 34 N -3.67 0.00 0.04 0.00 2.88 -0.75 -5.06 113.62 107.05 1ljz n SER 34 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ljz n SER 34 Cb 0.19 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 -1.09 -0.11 0.00 -3.46 3.41 4.42 -5.01 113.62 111.79 1ljz n SER 35 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1ljz n SER 35 Cb 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.75 0.00 -3.30 4.33 1.74 0.37 -4.67 116.66 112.38 1ljz n ARG 36 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1ljz n ARG 36 Cb 0.00 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.40 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 3.04 2.43 3.86 -0.13 0.00 -1.08 -4.16 105.19 109.16 1ljz n GLY 37 Ca 0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1ljz n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ljz s LYS 38 N -2.58 1.54 -0.08 1.61 2.20 -1.26 0.11 119.74 121.29 1ljz s LYS 38 Ca 0.21 0.14 -0.14 0.00 -0.36 0.00 0.00 55.97 55.82 1ljz s LYS 38 Cb -0.01 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 1ljz s LYS 38 CO 0.15 -1.89 0.35 0.08 -0.36 0.00 0.00 175.35 173.68 1ljz s VAL 39 N -3.48 5.19 -0.10 4.02 1.01 0.13 -4.24 120.40 122.92 1ljz s VAL 39 Ca 0.63 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 1ljz s VAL 39 Cb -0.12 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ljz s VAL 39 CO 0.51 0.50 0.02 -0.69 0.00 0.00 0.00 175.10 175.44 1ljz s VAL 40 N -0.41 0.30 -0.06 2.92 1.01 -1.26 -2.60 120.40 120.30 1ljz s VAL 40 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1ljz s VAL 40 Cb -0.15 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1ljz s VAL 40 CO 0.09 0.11 -0.04 -0.70 0.00 0.00 0.00 175.10 174.57 1ljz s GLU 41 N 1.99 0.88 -0.11 2.72 2.56 -1.08 -4.99 118.70 120.68 1ljz s GLU 41 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.97 54.97 1ljz s GLU 41 Cb -0.13 -1.01 -0.00 0.00 2.00 0.00 0.00 34.13 34.98 1ljz s GLU 41 CO -0.06 -0.18 -0.21 -0.51 -0.56 0.00 0.00 175.26 173.74 1ljz s LEU 42 N 1.39 2.23 0.00 2.70 1.43 -1.26 -2.70 118.68 122.47 1ljz s LEU 42 Ca -0.03 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1ljz s LEU 42 Cb -0.13 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1ljz s LEU 42 CO -0.03 0.16 0.06 0.61 0.23 0.00 0.00 176.35 177.38 1ljz n GLY 43 N 3.54 3.47 2.82 -3.19 0.00 -1.01 -1.79 105.19 109.03 1ljz n GLY 43 Ca -0.19 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1ljz n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljz n ALA 45 N 4.72 0.32 -0.04 0.00 0.00 0.25 -4.82 120.51 120.93 1ljz n ALA 45 Ca -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 53.44 52.30 1ljz n ALA 45 Cb 0.43 0.52 -0.07 0.00 0.00 0.00 0.00 19.45 20.32 1ljz n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ljz n ALA 46 N -2.34 1.88 -3.48 0.00 0.00 -1.26 0.93 120.51 116.24 1ljz n ALA 46 Ca -0.09 -0.53 -0.28 0.00 0.00 0.00 0.00 53.44 52.54 1ljz n ALA 46 Cb 0.31 -0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 1ljz n ALA 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ljz s THR 47 N -2.29 0.50 -0.25 0.00 -4.23 -1.26 -4.81 115.64 103.30 1ljz s THR 47 Ca -0.04 -2.36 -0.28 0.00 -1.18 0.00 0.00 61.69 57.83 1ljz s THR 47 Cb 0.03 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 1ljz s THR 47 CO 0.37 -1.10 2.04 0.00 -0.54 0.00 0.00 174.62 175.39 1ljz s PRO 49 N 5.99 4.42 -1.23 0.00 0.04 -1.26 -4.96 135.00 138.00 1ljz s PRO 49 Ca 0.92 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.77 1ljz s PRO 49 Cb -0.29 -3.03 0.18 0.00 0.04 0.00 0.00 34.50 31.40 1ljz s PRO 49 CO 0.35 -0.03 1.58 0.43 0.04 0.00 0.00 177.00 179.36 1ljz n SER 50 N 0.80 5.21 -3.67 6.66 7.64 -1.26 -4.89 113.62 124.12 1ljz n SER 50 Ca 0.00 -3.03 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 1ljz n SER 50 Cb 0.44 -1.53 -0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1ljz n SER 50 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ljz n LYS 51 N 4.89 4.10 -0.72 1.43 0.00 -1.26 -4.75 118.16 121.84 1ljz n LYS 51 Ca 0.37 -3.47 -0.06 0.00 -0.00 0.00 0.00 58.31 55.15 1ljz n LYS 51 Cb 0.40 -2.78 0.19 0.00 -0.00 0.00 0.00 35.03 32.85 1ljz n LYS 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ljz n LYS 52 N 2.80 2.71 0.00 -1.58 0.00 -1.25 -3.72 118.16 117.12 1ljz n LYS 52 Ca 0.51 -2.08 0.14 0.00 0.00 0.00 0.00 58.31 56.89 1ljz n LYS 52 Cb 0.30 -1.90 0.82 0.00 0.00 0.00 0.00 35.03 34.25 1ljz n LYS 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ljz n PRO 53 N -0.12 0.76 0.00 1.64 -0.04 -1.26 -4.57 135.00 131.41 1ljz n PRO 53 Ca 0.30 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1ljz n PRO 53 Cb 1.10 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 -1.08 0.00 -3.56 0.54 4.19 -1.26 -5.13 117.16 110.86 1ljz n TYR 54 Ca 0.19 0.00 -0.36 0.00 3.31 0.00 0.00 57.90 61.04 1ljz n TYR 54 Cb 0.14 0.00 -0.07 0.00 0.49 0.00 0.00 39.34 39.89 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 0.00 4.24 -0.65 2.98 2.02 -1.24 -4.90 118.70 121.16 1ljz s GLU 55 Ca 0.00 0.05 -0.27 0.00 0.02 0.00 0.00 54.97 54.77 1ljz s GLU 55 Cb 0.00 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 1ljz s GLU 55 CO 0.00 0.23 1.66 -2.00 0.02 0.00 0.00 175.26 175.17 1ljz s GLU 56 N 0.51 2.83 -0.26 1.61 2.56 0.17 -3.81 118.70 122.31 1ljz s GLU 56 Ca 0.15 0.34 -0.05 0.00 0.00 0.00 0.00 54.97 55.41 1ljz s GLU 56 Cb -0.13 -4.31 0.00 0.00 2.00 0.00 0.00 34.13 31.69 1ljz s GLU 56 CO 0.03 -2.51 0.01 0.54 -0.56 0.00 0.00 175.26 172.77 1ljz s VAL 57 N 7.89 3.59 0.26 3.70 0.11 -1.26 0.09 120.40 134.78 1ljz s VAL 57 Ca 0.56 -0.65 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1ljz s VAL 57 Cb -0.11 -2.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 1ljz s VAL 57 CO 0.19 0.23 0.11 -0.89 -3.33 0.00 0.00 175.10 171.41 1ljz s THR 58 N 1.47 4.02 -0.08 5.04 2.01 -1.02 -4.79 115.64 122.30 1ljz s THR 58 Ca 0.03 -1.61 -0.02 0.00 0.31 0.00 0.00 61.69 60.40 1ljz s THR 58 Cb -0.16 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1ljz s THR 58 CO -0.01 -0.36 0.04 0.00 -0.69 0.00 0.00 174.62 173.61 1ljz n SER 61 N 4.26 5.78 -3.90 0.00 3.41 -1.26 0.13 113.62 122.04 1ljz n SER 61 Ca -0.26 -3.61 -0.11 0.00 -0.26 0.00 0.00 58.87 54.63 1ljz n SER 61 Cb 0.50 -0.92 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 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 -3.88 0.09 -0.09 6.66 -4.23 -1.26 -4.92 115.64 108.01 1ljz s THR 62 Ca 0.41 -0.74 -0.40 0.00 -1.18 0.00 0.00 61.69 59.78 1ljz s THR 62 Cb 0.19 -0.39 -0.19 0.00 1.34 0.00 0.00 72.50 73.46 1ljz s THR 62 CO -0.08 -0.40 1.30 0.47 -0.54 0.00 0.00 174.62 175.37 1ljz n ASP 63 N 1.50 0.91 -4.32 3.99 9.92 -1.23 -0.54 116.55 126.78 1ljz n ASP 63 Ca -0.23 1.14 -0.38 0.00 -0.53 0.00 0.00 54.79 54.79 1ljz n ASP 63 Cb 0.55 -1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 39.98 1ljz n ASP 63 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ljz n LYS 64 N 2.61 -2.40 0.00 -1.24 4.01 -0.98 -4.81 118.16 115.36 1ljz n LYS 64 Ca 0.22 0.30 0.13 0.00 -0.51 0.00 0.00 58.31 58.44 1ljz n LYS 64 Cb 0.09 -4.95 0.33 0.00 -0.51 0.00 0.00 35.03 29.99 1ljz n LYS 64 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ljz n ASN 66 N -0.93 6.64 -4.86 0.00 6.94 -1.26 -4.90 115.26 116.89 1ljz n ASN 66 Ca 0.10 -3.69 -0.34 0.00 -0.02 0.00 0.00 54.58 50.63 1ljz n ASN 66 Cb 0.34 -1.01 -0.06 0.00 -2.36 0.00 0.00 39.78 36.70 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 -4.12 3.87 0.12 -0.53 0.04 -1.26 -4.57 135.00 128.55 1ljz s PRO 67 Ca 0.42 0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.82 1ljz s PRO 67 Cb 0.22 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1ljz s PRO 67 CO -0.14 0.44 0.21 -3.38 0.04 0.00 0.00 177.00 174.17 1ljz s HIS 68 N -1.57 3.38 0.28 0.56 -3.43 -1.18 -5.03 115.29 108.30 1ljz s HIS 68 Ca 0.40 0.11 0.01 0.00 -0.80 0.00 0.00 55.06 54.78 1ljz s HIS 68 Cb -0.13 -1.65 0.54 0.00 -1.43 0.00 0.00 32.58 29.91 1ljz s HIS 68 CO 0.20 0.53 1.82 -1.00 -2.00 0.00 0.00 174.74 174.29 1ljz h PRO 69 N 2.57 0.89 -0.08 -0.38 0.13 -2.02 -2.93 132.00 130.17 1ljz h PRO 69 Ca -0.47 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1ljz h PRO 69 Cb 1.18 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1ljz h PRO 69 CO 0.69 0.59 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.80 1ljz h LYS 70 N 0.92 0.16 -5.06 0.86 3.11 -2.03 -3.44 116.57 111.09 1ljz h LYS 70 Ca 0.49 -0.07 -0.48 0.00 -2.81 0.00 0.00 60.65 57.78 1ljz h LYS 70 Cb 0.51 -0.01 -0.30 0.00 -1.00 0.00 0.00 32.23 31.44 1ljz h LYS 70 CO -0.28 0.51 -0.81 -0.65 -2.81 0.00 0.00 179.45 175.41 1ljz s GLN 71 N -4.65 1.22 0.16 1.90 -0.21 -1.11 -5.14 119.66 111.83 1ljz s GLN 71 Ca -0.15 -0.46 -0.22 0.00 0.02 0.00 0.00 55.36 54.55 1ljz s GLN 71 Cb 0.04 -1.13 0.06 0.00 1.00 0.00 0.00 33.01 32.99 1ljz s GLN 71 CO 0.70 0.23 0.58 -0.98 -2.12 0.00 0.00 175.29 173.70 1ljz s ARG 72 N -0.08 1.27 -0.84 2.91 1.70 -1.25 -3.10 118.95 119.55 1ljz s ARG 72 Ca 0.01 -0.53 -0.21 0.00 -0.47 0.00 0.00 55.73 54.53 1ljz s ARG 72 Cb -0.08 0.57 -0.19 0.00 -0.57 0.00 0.00 34.95 34.69 1ljz s ARG 72 CO 0.00 -0.55 2.26 -0.35 -1.08 0.00 0.00 175.30 175.58 1ljz n PRO 73 N -0.36 0.35 0.00 3.89 -0.04 -1.26 -5.11 135.00 132.47 1ljz n PRO 73 Ca -0.16 -0.72 0.14 0.00 -0.04 0.00 0.00 63.50 62.72 1ljz n PRO 73 Cb 0.65 -2.99 0.53 0.00 -0.04 0.00 0.00 33.50 31.64 1ljz n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87