#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lk0 s LYS 3 N 0.00 4.20 0.48 0.11 1.02 -1.26 -5.00 119.74 119.29 1lk0 s LYS 3 Ca 0.00 2.41 0.05 0.00 0.02 0.00 0.00 55.97 58.46 1lk0 s LYS 3 Cb 0.00 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 1lk0 s LYS 3 CO 0.00 -0.57 0.67 0.15 -0.92 0.00 0.00 175.35 174.67 1lk0 s LYS 4 N 0.38 2.68 -0.08 1.68 1.02 -0.62 -4.89 119.74 119.90 1lk0 s LYS 4 Ca 0.66 -1.06 0.02 0.00 0.02 0.00 0.00 55.97 55.61 1lk0 s LYS 4 Cb -0.45 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1lk0 s LYS 4 CO 0.38 -0.48 -0.12 0.99 -0.92 0.00 0.00 175.35 175.19 1lk0 s THR 5 N -2.54 1.20 -0.10 2.17 2.01 -1.26 -0.33 115.64 116.79 1lk0 s THR 5 Ca 0.56 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1lk0 s THR 5 Cb -0.10 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 1lk0 s THR 5 CO 0.36 0.38 -0.15 -0.51 -0.69 0.00 0.00 174.62 174.00 1lk0 s ILE 6 N 0.85 2.87 -0.24 1.82 2.07 -0.70 -0.53 121.20 127.35 1lk0 s ILE 6 Ca -0.11 -0.74 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 1lk0 s ILE 6 Cb -0.15 -2.17 0.05 0.00 0.13 0.00 0.00 42.46 40.32 1lk0 s ILE 6 CO 0.01 0.55 -0.10 -0.47 -1.91 0.00 0.00 174.94 173.02 1lk0 s TYR 7 N 0.06 2.84 -0.34 3.50 6.04 -0.44 -2.19 117.35 126.83 1lk0 s TYR 7 Ca -0.06 -1.98 -0.22 0.00 0.04 0.00 0.00 57.07 54.84 1lk0 s TYR 7 Cb -0.15 -1.78 0.00 0.00 -1.04 0.00 0.00 41.96 38.99 1lk0 s TYR 7 CO 0.05 -0.82 0.72 -0.06 -1.54 0.00 0.00 175.55 173.90 1lk0 s PHE 8 N 1.25 3.16 -0.14 4.97 0.40 -0.25 -0.66 117.98 126.72 1lk0 s PHE 8 Ca -0.06 0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 56.83 1lk0 s PHE 8 Cb -0.18 -3.21 -0.03 0.00 0.51 0.00 0.00 43.02 40.11 1lk0 s PHE 8 CO -0.07 -0.61 -0.06 0.42 0.70 0.00 0.00 175.22 175.61 1lk0 s ILE 9 N 2.87 3.74 -0.25 0.64 -1.09 0.71 -1.54 121.20 126.30 1lk0 s ILE 9 Ca 0.29 -0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 58.13 1lk0 s ILE 9 Cb -0.14 -2.62 0.07 0.00 -1.58 0.00 0.00 42.46 38.19 1lk0 s ILE 9 CO 0.14 0.51 0.61 0.00 -1.23 0.00 0.00 174.94 174.98 1lk0 s THR 11 N 1.35 3.34 0.00 0.00 2.01 -1.26 -1.39 115.64 119.69 1lk0 s THR 11 Ca -0.08 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1lk0 s THR 11 Cb -0.06 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1lk0 s THR 11 CO -0.14 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 1lk0 n GLY 12 N 4.74 1.84 4.06 4.40 0.00 -0.23 -4.77 105.19 115.22 1lk0 n GLY 12 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 1lk0 n GLY 12 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lk0 n ASN 13 N 0.00 -4.21 -0.01 1.61 4.05 -0.48 -0.90 115.26 115.32 1lk0 n ASN 13 Ca 0.00 -1.29 -0.01 0.00 0.45 0.00 0.00 54.58 53.73 1lk0 n ASN 13 Cb 0.00 -1.75 -0.01 0.00 1.23 0.00 0.00 39.78 39.26 1lk0 n ASN 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1lk0 n SER 14 N -2.17 3.39 0.00 1.20 2.88 -1.26 -4.50 113.62 113.15 1lk0 n SER 14 Ca -0.11 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1lk0 n SER 14 Cb 0.56 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1lk0 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lk0 h ARG 16 N 0.00 0.73 0.00 0.00 3.08 -1.97 -1.29 114.38 114.92 1lk0 h ARG 16 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1lk0 h ARG 16 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1lk0 h ARG 16 CO 0.00 0.48 -0.41 0.66 -1.07 0.00 0.00 179.97 179.63 1lk0 h SER 17 N 0.75 0.00 0.23 7.04 4.64 -1.93 -1.17 113.55 123.11 1lk0 h SER 17 Ca 0.41 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.52 1lk0 h SER 17 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1lk0 h SER 17 CO -0.27 0.41 -0.85 1.56 -0.87 0.00 0.00 176.83 176.81 1lk0 h GLN 18 N 0.00 0.47 -0.37 4.77 1.08 -1.59 -0.68 115.11 118.79 1lk0 h GLN 18 Ca -0.00 -0.44 -0.14 0.00 -1.45 0.00 0.00 58.65 56.61 1lk0 h GLN 18 Cb 0.83 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1lk0 h GLN 18 CO 0.05 1.09 -0.32 0.52 -0.95 0.00 0.00 178.83 179.22 1lk0 h MET 19 N 0.30 0.83 -0.64 1.46 2.86 -1.03 -0.74 114.93 117.97 1lk0 h MET 19 Ca -0.06 -0.40 -0.09 0.00 -2.06 0.00 0.00 59.70 57.09 1lk0 h MET 19 Cb 1.46 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 1lk0 h MET 19 CO 0.15 1.03 0.05 0.00 1.06 0.00 0.00 176.91 179.21 1lk0 h ALA 20 N 0.93 0.86 -0.42 6.32 0.00 -1.10 -0.57 119.26 125.27 1lk0 h ALA 20 Ca 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1lk0 h ALA 20 Cb 0.88 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1lk0 h ALA 20 CO 0.08 0.67 0.05 1.49 0.00 0.00 0.00 179.25 181.54 1lk0 h GLU 21 N 1.01 0.72 -0.29 0.00 4.81 -0.90 0.19 114.58 120.11 1lk0 h GLU 21 Ca 0.19 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1lk0 h GLU 21 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1lk0 h GLU 21 CO 0.02 0.76 0.18 0.78 -0.73 0.00 0.00 179.01 180.02 1lk0 h GLY 22 N 0.57 0.43 1.11 1.92 0.00 -0.84 -0.99 103.07 105.26 1lk0 h GLY 22 Ca 0.13 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1lk0 h GLY 22 CO 0.01 0.17 -0.52 1.49 0.00 0.00 0.00 176.54 177.69 1lk0 h TRP 23 N 0.37 1.06 -0.96 5.60 -0.00 -1.07 -3.21 115.95 117.75 1lk0 h TRP 23 Ca 0.11 -0.38 0.01 0.00 -0.00 0.00 0.00 58.89 58.63 1lk0 h TRP 23 Cb 0.01 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 28.93 1lk0 h TRP 23 CO -0.04 1.20 0.63 0.78 -0.00 0.00 0.00 178.44 181.01 1lk0 h GLY 24 N 0.62 1.35 1.47 1.49 0.00 -0.41 -0.99 103.07 106.60 1lk0 h GLY 24 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1lk0 h GLY 24 CO 0.12 0.50 0.04 0.50 0.00 0.00 0.00 176.54 177.69 1lk0 h LYS 25 N 1.30 0.66 0.20 4.80 1.57 -1.21 0.99 116.57 124.88 1lk0 h LYS 25 Ca 0.35 -0.15 -0.28 0.00 -1.87 0.00 0.00 60.65 58.71 1lk0 h LYS 25 Cb -0.14 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.10 1lk0 h LYS 25 CO -0.07 0.66 -1.24 1.49 -0.57 0.00 0.00 179.45 179.71 1lk0 h GLU 26 N 0.63 0.42 0.06 3.15 4.57 -1.49 -2.92 114.58 119.01 1lk0 h GLU 26 Ca 0.13 -0.72 -0.12 0.00 -1.18 0.00 0.00 59.36 57.48 1lk0 h GLU 26 Cb 0.34 0.27 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1lk0 h GLU 26 CO 0.01 1.34 -0.55 0.82 -1.18 0.00 0.00 179.01 179.45 1lk0 h ILE 27 N -0.09 1.54 -0.45 2.32 2.04 -1.19 -3.39 117.51 118.30 1lk0 h ILE 27 Ca -0.22 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1lk0 h ILE 27 Cb 1.94 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 41.18 1lk0 h ILE 27 CO 0.21 0.63 0.00 0.18 0.00 0.00 0.00 178.15 179.17 1lk0 n LEU 28 N -4.35 3.57 -0.20 1.44 4.77 0.34 -4.73 117.00 117.84 1lk0 n LEU 28 Ca -0.15 -1.60 0.29 0.00 -0.03 0.00 0.00 56.01 54.53 1lk0 n LEU 28 Cb 0.67 -0.29 0.72 0.00 -2.33 0.00 0.00 43.42 42.18 1lk0 n LEU 28 CO 0.39 0.79 1.27 1.23 -1.33 0.00 0.00 177.39 179.74 1lk0 h GLY 29 N 4.46 0.05 1.34 -0.72 0.00 -1.49 -1.65 103.07 105.05 1lk0 h GLY 29 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 1lk0 h GLY 29 CO 0.00 -0.00 -0.49 0.83 0.00 0.00 0.00 176.54 176.88 1lk0 h GLU 30 N 0.02 0.71 0.00 4.80 5.08 -1.86 -3.36 114.58 119.96 1lk0 h GLU 30 Ca 0.45 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1lk0 h GLU 30 Cb 1.77 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1lk0 h GLU 30 CO -0.01 1.04 -0.03 0.41 -1.00 0.00 0.00 179.01 179.41 1lk0 n GLY 31 N 0.20 1.61 2.92 -3.84 0.00 -1.15 -4.96 105.19 99.98 1lk0 n GLY 31 Ca -0.03 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1lk0 n GLY 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1lk0 s TRP 32 N -0.96 0.26 -0.21 1.61 0.52 -0.63 -1.60 118.94 117.94 1lk0 s TRP 32 Ca 0.05 -0.05 -0.17 0.00 0.02 0.00 0.00 56.10 55.94 1lk0 s TRP 32 Cb 0.04 -0.17 -0.03 0.00 -1.15 0.00 0.00 33.47 32.16 1lk0 s TRP 32 CO 0.00 -0.00 0.47 -0.80 0.02 0.00 0.00 176.95 176.64 1lk0 s ASN 33 N -0.07 6.50 -0.18 2.95 0.01 0.55 -4.44 114.94 120.25 1lk0 s ASN 33 Ca 0.01 0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 52.73 1lk0 s ASN 33 Cb -0.01 -2.27 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 1lk0 s ASN 33 CO -0.00 -0.15 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.66 1lk0 s VAL 34 N 1.60 3.17 0.10 1.60 1.01 -1.26 -1.72 120.40 124.89 1lk0 s VAL 34 Ca 0.22 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1lk0 s VAL 34 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1lk0 s VAL 34 CO 0.09 0.47 -0.06 -0.31 0.00 0.00 0.00 175.10 175.29 1lk0 s TYR 35 N 1.05 0.87 -0.02 5.22 1.51 -0.93 -4.95 117.35 120.10 1lk0 s TYR 35 Ca -0.00 -0.93 -0.02 0.00 -1.01 0.00 0.00 57.07 55.11 1lk0 s TYR 35 Cb -0.15 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1lk0 s TYR 35 CO -0.01 -0.17 0.06 -1.54 -1.11 0.00 0.00 175.55 172.78 1lk0 s SER 36 N -3.04 -0.05 0.36 2.29 1.04 -1.26 -1.09 113.70 111.95 1lk0 s SER 36 Ca 0.12 0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 1lk0 s SER 36 Cb 0.06 0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.35 1lk0 s SER 36 CO -0.05 -0.04 0.82 0.00 0.98 0.00 0.00 173.24 174.95 1lk0 s ALA 37 N -0.06 -0.87 0.25 5.32 0.00 -0.59 -4.45 121.76 121.36 1lk0 s ALA 37 Ca -0.01 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.10 1lk0 s ALA 37 Cb -0.01 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1lk0 s ALA 37 CO 0.00 -1.00 0.59 0.20 0.00 0.00 0.00 175.76 175.55 1lk0 s GLY 38 N -3.10 0.11 0.14 0.00 0.00 -0.62 -1.65 107.32 102.19 1lk0 s GLY 38 Ca 0.16 -0.46 0.19 0.00 0.00 0.00 0.00 44.72 44.61 1lk0 s GLY 38 CO 0.10 -0.30 1.58 0.29 0.00 0.00 0.00 173.10 174.77 1lk0 n ILE 39 N -0.40 0.94 -3.62 0.90 -5.35 -1.26 -1.54 119.36 109.02 1lk0 n ILE 39 Ca -0.05 0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.57 1lk0 n ILE 39 Cb 0.61 -1.11 -0.05 0.00 -1.74 0.00 0.00 39.64 37.35 1lk0 n ILE 39 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1lk0 s GLU 40 N -3.17 1.01 -0.07 6.28 -1.05 -1.26 -4.89 118.70 115.54 1lk0 s GLU 40 Ca 0.05 -0.48 0.02 0.00 -0.15 0.00 0.00 54.97 54.41 1lk0 s GLU 40 Cb 0.09 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 1lk0 s GLU 40 CO 0.32 -0.38 -0.11 0.95 0.95 0.00 0.00 175.26 177.00 1lk0 s THR 41 N -3.04 3.34 -0.44 1.83 -4.23 -1.26 -1.07 115.64 110.76 1lk0 s THR 41 Ca -0.02 -0.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1lk0 s THR 41 Cb 0.00 -2.35 -0.00 0.00 1.34 0.00 0.00 72.50 71.49 1lk0 s THR 41 CO -0.06 0.58 0.44 1.41 -0.54 0.00 0.00 174.62 176.44 1lk0 n HIS 42 N 2.52 0.00 0.00 3.99 8.25 -0.08 -4.91 115.22 125.00 1lk0 n HIS 42 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1lk0 n HIS 42 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1lk0 n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lk0 n GLY 43 N 0.67 1.07 3.68 -1.41 0.00 -1.26 -4.93 105.19 103.01 1lk0 n GLY 43 Ca 0.02 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1lk0 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lk0 s VAL 44 N -2.57 4.11 0.07 1.61 1.01 -1.26 -4.36 120.40 119.02 1lk0 s VAL 44 Ca 0.00 1.44 -0.31 0.00 0.00 0.00 0.00 61.98 63.11 1lk0 s VAL 44 Cb 0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1lk0 s VAL 44 CO 0.00 -0.03 1.58 0.21 0.00 0.00 0.00 175.10 176.87 1lk0 s ASN 45 N 1.71 6.66 0.56 3.32 3.84 -0.60 -4.92 114.94 125.51 1lk0 s ASN 45 Ca 0.58 2.43 0.26 0.00 0.21 0.00 0.00 52.86 56.34 1lk0 s ASN 45 Cb -0.26 -2.57 1.64 0.00 -0.55 0.00 0.00 41.25 39.52 1lk0 s ASN 45 CO 0.22 -0.84 2.21 1.55 -2.79 0.00 0.00 177.10 177.45 1lk0 h PRO 46 N 7.97 0.00 0.00 0.43 0.13 -1.93 -1.81 132.00 136.78 1lk0 h PRO 46 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1lk0 h PRO 46 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1lk0 h PRO 46 CO 0.92 0.02 -0.56 0.87 -0.23 0.00 0.00 178.00 179.01 1lk0 h LYS 47 N 0.00 0.00 -0.00 0.86 1.57 -1.96 -1.49 116.57 115.55 1lk0 h LYS 47 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 1lk0 h LYS 47 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1lk0 h LYS 47 CO 0.00 0.56 -0.96 0.00 -0.57 0.00 0.00 179.45 178.49 1lk0 h ALA 48 N 1.44 0.31 -0.45 3.86 0.00 -1.66 -1.54 119.26 121.21 1lk0 h ALA 48 Ca -0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 1lk0 h ALA 48 Cb 1.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1lk0 h ALA 48 CO 0.07 0.78 0.03 0.82 0.00 0.00 0.00 179.25 180.95 1lk0 h ILE 49 N 0.28 1.26 -0.53 0.00 2.04 -1.29 -2.37 117.51 116.89 1lk0 h ILE 49 Ca -0.09 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 1lk0 h ILE 49 Cb 1.60 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1lk0 h ILE 49 CO 0.17 0.35 -0.11 -0.08 0.00 0.00 0.00 178.15 178.48 1lk0 h GLU 50 N 0.64 1.01 -0.81 2.37 4.57 -1.26 -1.12 114.58 119.97 1lk0 h GLU 50 Ca 0.13 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1lk0 h GLU 50 Cb 0.46 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1lk0 h GLU 50 CO 0.02 1.06 0.47 0.00 -1.18 0.00 0.00 179.01 179.37 1lk0 h ALA 51 N 0.92 1.04 0.00 2.92 0.00 -1.16 -2.15 119.26 120.83 1lk0 h ALA 51 Ca 0.14 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1lk0 h ALA 51 Cb 0.67 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1lk0 h ALA 51 CO 0.05 0.53 -0.89 0.52 0.00 0.00 0.00 179.25 179.46 1lk0 h MET 52 N 1.12 0.21 -0.27 0.00 2.86 -1.28 -3.16 114.93 114.41 1lk0 h MET 52 Ca 0.29 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1lk0 h MET 52 Cb -0.00 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1lk0 h MET 52 CO -0.05 0.97 -0.06 -0.22 1.06 0.00 0.00 176.91 178.60 1lk0 h LYS 53 N 0.11 0.43 -0.10 1.72 3.64 -0.88 -0.91 116.57 120.60 1lk0 h LYS 53 Ca -0.05 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1lk0 h LYS 53 Cb 1.52 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1lk0 h LYS 53 CO 0.14 0.51 0.06 1.49 -2.27 0.00 0.00 179.45 179.38 1lk0 h GLU 54 N 0.41 0.08 -0.38 1.90 4.81 -1.36 -2.46 114.58 117.58 1lk0 h GLU 54 Ca 0.09 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 1lk0 h GLU 54 Cb 0.38 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.62 1lk0 h GLU 54 CO 0.02 0.05 -0.04 1.33 -0.73 0.00 0.00 179.01 179.65 1lk0 n VAL 55 N -4.52 2.58 -1.98 0.32 0.24 -0.97 -4.97 118.33 109.03 1lk0 n VAL 55 Ca -0.01 -2.66 -0.19 0.00 -2.04 0.00 0.00 64.34 59.43 1lk0 n VAL 55 Cb 0.12 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.12 1lk0 n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1lk0 n ASP 56 N -1.09 -5.46 -4.43 -1.34 10.43 -0.93 -5.01 116.55 108.72 1lk0 n ASP 56 Ca 0.34 0.22 -0.36 0.00 2.57 0.00 0.00 54.79 57.57 1lk0 n ASP 56 Cb 1.07 -4.59 -0.13 0.00 1.84 0.00 0.00 41.12 39.31 1lk0 n ASP 56 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1lk0 s ILE 57 N -2.85 4.02 -0.47 0.53 -1.09 -0.38 -5.01 121.20 115.94 1lk0 s ILE 57 Ca 0.00 -0.28 -0.20 0.00 -2.23 0.00 0.00 60.65 57.94 1lk0 s ILE 57 Cb 0.00 -2.85 0.04 0.00 -1.58 0.00 0.00 42.46 38.08 1lk0 s ILE 57 CO 0.00 0.39 0.62 -0.62 -1.23 0.00 0.00 174.94 174.10 1lk0 s ASP 58 N 1.32 6.26 -0.13 3.58 2.15 -1.26 -3.05 116.67 125.53 1lk0 s ASP 58 Ca 0.04 -0.66 0.15 0.00 0.43 0.00 0.00 52.55 52.52 1lk0 s ASP 58 Cb -0.15 -2.30 0.41 0.00 -0.30 0.00 0.00 42.92 40.58 1lk0 s ASP 58 CO 0.02 -0.83 1.31 2.30 -0.17 0.00 0.00 175.17 177.79 1lk0 n ILE 59 N 5.70 1.93 0.36 4.11 -5.35 -1.26 -4.64 119.36 120.21 1lk0 n ILE 59 Ca -0.04 -1.79 0.14 0.00 -0.27 0.00 0.00 62.75 60.78 1lk0 n ILE 59 Cb 0.47 -0.10 0.57 0.00 -1.74 0.00 0.00 39.64 38.83 1lk0 n ILE 59 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1lk0 h SER 60 N 1.30 0.00 0.86 7.28 4.64 -1.93 -2.60 113.55 123.11 1lk0 h SER 60 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lk0 h SER 60 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1lk0 h SER 60 CO 0.13 0.00 -0.56 -0.46 -0.87 0.00 0.00 176.83 175.07 1lk0 n ASN 61 N -2.58 0.66 -4.77 4.97 0.23 -1.26 -4.94 115.26 107.58 1lk0 n ASN 61 Ca 0.02 0.11 -0.34 0.00 -0.53 0.00 0.00 54.58 53.84 1lk0 n ASN 61 Cb 0.26 0.10 0.03 0.00 -2.08 0.00 0.00 39.78 38.09 1lk0 n ASN 61 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1lk0 s HIS 62 N -3.14 2.59 0.17 -2.53 3.76 -0.98 -5.07 115.29 110.10 1lk0 s HIS 62 Ca 0.07 1.55 0.09 0.00 -0.15 0.00 0.00 55.06 56.62 1lk0 s HIS 62 Cb 0.14 -3.27 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 1lk0 s HIS 62 CO 0.71 -1.73 -0.20 0.95 -0.85 0.00 0.00 174.74 173.62 1lk0 s THR 63 N -2.00 1.96 -0.53 1.30 -4.23 -1.26 -4.94 115.64 105.94 1lk0 s THR 63 Ca 0.71 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 59.03 1lk0 s THR 63 Cb -0.23 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.73 1lk0 s THR 63 CO 0.34 -0.27 0.86 -0.55 -0.54 0.00 0.00 174.62 174.46 1lk0 s SER 64 N -2.68 6.33 0.09 3.99 0.15 -1.26 -4.96 113.70 115.35 1lk0 s SER 64 Ca 0.17 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1lk0 s SER 64 Cb -0.06 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1lk0 s SER 64 CO 0.08 -1.12 0.20 -1.81 1.20 0.00 0.00 173.24 171.79 1lk0 s ASP 65 N 2.71 6.17 0.18 5.45 1.01 -1.26 -4.87 116.67 126.05 1lk0 s ASP 65 Ca 0.27 0.18 -0.15 0.00 0.71 0.00 0.00 52.55 53.56 1lk0 s ASP 65 Cb -0.14 -1.84 -0.07 0.00 1.01 0.00 0.00 42.92 41.88 1lk0 s ASP 65 CO 0.18 0.14 0.60 -0.22 0.21 0.00 0.00 175.17 176.08 1lk0 s LEU 66 N -2.68 4.30 0.03 1.23 2.96 -1.26 -1.59 118.68 121.67 1lk0 s LEU 66 Ca 0.34 1.15 -0.34 0.00 -0.22 0.00 0.00 54.13 55.06 1lk0 s LEU 66 Cb -0.12 -3.44 -0.12 0.00 0.50 0.00 0.00 46.19 43.01 1lk0 s LEU 66 CO 0.27 0.05 1.77 -0.38 -1.32 0.00 0.00 176.35 176.73 1lk0 n ILE 67 N 0.60 0.35 -3.89 6.68 5.41 -0.59 -4.70 119.36 123.22 1lk0 n ILE 67 Ca -0.03 -0.06 -0.35 0.00 1.00 0.00 0.00 62.75 63.30 1lk0 n ILE 67 Cb 0.52 -1.80 -0.09 0.00 -0.71 0.00 0.00 39.64 37.56 1lk0 n ILE 67 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1lk0 s ASP 68 N 2.78 5.83 0.24 4.38 3.68 -1.26 -5.01 116.67 127.30 1lk0 s ASP 68 Ca 0.86 0.13 -0.06 0.00 2.13 0.00 0.00 52.55 55.61 1lk0 s ASP 68 Cb -0.65 -2.01 0.24 0.00 -1.45 0.00 0.00 42.92 39.04 1lk0 s ASP 68 CO 0.45 0.17 1.81 -1.13 0.13 0.00 0.00 175.17 176.60 1lk0 h ASN 69 N 6.76 1.04 -0.48 -0.34 -0.73 -1.99 -2.03 115.58 117.81 1lk0 h ASN 69 Ca -0.38 -0.15 -0.06 0.00 1.87 0.00 0.00 56.30 57.58 1lk0 h ASN 69 Cb 1.16 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.46 1lk0 h ASN 69 CO 0.72 0.91 0.08 0.44 -0.37 0.00 0.00 177.43 179.20 1lk0 h ASP 70 N 1.11 0.81 -0.19 1.15 3.32 -1.99 -1.61 116.42 119.02 1lk0 h ASP 70 Ca 0.26 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 1lk0 h ASP 70 Cb 0.18 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.52 1lk0 h ASP 70 CO -0.02 0.82 -0.57 0.40 -1.72 0.00 0.00 179.24 178.15 1lk0 h ILE 71 N 0.81 1.31 -0.31 0.35 2.04 -1.92 -3.22 117.51 116.57 1lk0 h ILE 71 Ca 0.17 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.24 1lk0 h ILE 71 Cb 0.37 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1lk0 h ILE 71 CO 0.01 0.57 0.18 -0.07 0.00 0.00 0.00 178.15 178.83 1lk0 h LEU 72 N 0.43 0.29 -1.73 1.44 3.38 -1.08 -0.69 115.31 117.35 1lk0 h LEU 72 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lk0 h LEU 72 Cb 1.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1lk0 h LEU 72 CO 0.12 0.21 0.00 0.11 0.09 0.00 0.00 178.44 178.98 1lk0 h LYS 73 N 0.37 0.00 -0.13 1.13 1.79 -1.38 -2.26 116.57 116.10 1lk0 h LYS 73 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1lk0 h LYS 73 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1lk0 h LYS 73 CO -0.05 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.36 1lk0 n GLN 74 N -2.68 2.23 -2.59 3.15 6.02 -0.94 -5.04 117.38 117.54 1lk0 n GLN 74 Ca -0.01 -1.55 -0.40 0.00 -0.01 0.00 0.00 57.00 55.03 1lk0 n GLN 74 Cb 0.15 -1.12 -0.05 0.00 1.02 0.00 0.00 30.24 30.24 1lk0 n GLN 74 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1lk0 s SER 75 N -0.88 7.40 -0.02 1.08 0.01 -0.31 -4.46 113.70 116.52 1lk0 s SER 75 Ca 0.10 2.07 0.18 0.00 1.31 0.00 0.00 55.95 59.62 1lk0 s SER 75 Cb 0.05 -2.61 -0.21 0.00 0.21 0.00 0.00 66.02 63.46 1lk0 s SER 75 CO 0.07 -0.07 0.55 0.47 0.41 0.00 0.00 173.24 174.67 1lk0 n ASP 76 N 1.79 0.44 -3.66 2.44 9.92 0.31 -4.77 116.55 123.01 1lk0 n ASP 76 Ca 0.00 0.19 -0.08 0.00 -0.53 0.00 0.00 54.79 54.37 1lk0 n ASP 76 Cb 0.46 0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 41.67 1lk0 n ASP 76 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1lk0 s LEU 77 N -5.40 -0.63 -0.22 0.64 2.96 -1.08 -4.09 118.68 110.85 1lk0 s LEU 77 Ca -0.06 1.27 -0.07 0.00 -0.22 0.00 0.00 54.13 55.05 1lk0 s LEU 77 Cb 0.09 1.95 -0.03 0.00 0.50 0.00 0.00 46.19 48.70 1lk0 s LEU 77 CO 0.84 -0.22 0.06 -0.69 -1.32 0.00 0.00 176.35 175.02 1lk0 s VAL 78 N 1.69 4.46 -0.20 1.68 1.01 -0.22 -1.33 120.40 127.49 1lk0 s VAL 78 Ca -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1lk0 s VAL 78 Cb -0.07 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1lk0 s VAL 78 CO -0.17 0.39 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 1lk0 s VAL 79 N 1.10 2.69 -0.10 2.92 1.01 0.17 -1.32 120.40 126.87 1lk0 s VAL 79 Ca 0.04 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1lk0 s VAL 79 Cb -0.14 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1lk0 s VAL 79 CO 0.03 0.49 0.23 0.42 0.00 0.00 0.00 175.10 176.26 1lk0 s THR 80 N 1.33 5.35 0.00 3.92 -4.23 -0.28 -0.20 115.64 121.52 1lk0 s THR 80 Ca 0.04 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1lk0 s THR 80 Cb -0.14 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1lk0 s THR 80 CO -0.08 0.56 0.15 0.18 -0.54 0.00 0.00 174.62 174.89 1lk0 n LEU 81 N 2.30 0.29 -0.04 4.79 4.77 -1.12 -1.26 117.00 126.74 1lk0 n LEU 81 Ca -0.17 -0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 55.31 1lk0 n LEU 81 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1lk0 n LEU 81 CO 0.34 0.07 -0.74 0.00 -1.33 0.00 0.00 177.39 175.74 1lk0 s SER 83 N -4.37 -0.03 0.41 0.00 0.15 -1.26 -5.04 113.70 103.56 1lk0 s SER 83 Ca -0.08 0.17 0.29 0.00 0.70 0.00 0.00 55.95 57.03 1lk0 s SER 83 Cb 0.02 0.08 1.12 0.00 -1.71 0.00 0.00 66.02 65.54 1lk0 s SER 83 CO 0.21 -0.11 1.84 -2.24 1.20 0.00 0.00 173.24 174.14 1lk0 h ASP 84 N 7.00 0.00 0.31 5.45 2.03 -1.96 -2.71 116.42 126.55 1lk0 h ASP 84 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1lk0 h ASP 84 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1lk0 h ASP 84 CO 0.45 0.00 -0.08 0.00 -1.03 0.00 0.00 179.24 178.58 1lk0 n ALA 85 N -1.95 2.72 0.70 4.15 0.00 -1.26 -3.43 120.51 121.45 1lk0 n ALA 85 Ca 0.02 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1lk0 n ALA 85 Cb 0.29 -1.35 0.48 0.00 0.00 0.00 0.00 19.45 18.87 1lk0 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1lk0 n ASP 86 N -0.91 0.46 0.17 0.00 10.43 -1.02 -2.47 116.55 123.22 1lk0 n ASP 86 Ca 0.16 0.56 0.03 0.00 2.57 0.00 0.00 54.79 58.11 1lk0 n ASP 86 Cb 0.26 -0.68 0.30 0.00 1.84 0.00 0.00 41.12 42.85 1lk0 n ASP 86 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1lk0 h ASN 87 N 0.00 0.00 -0.04 -2.24 4.21 -1.77 -2.90 115.58 112.84 1lk0 h ASN 87 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1lk0 h ASN 87 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1lk0 h ASN 87 CO 0.00 0.44 0.00 0.59 -1.29 0.00 0.00 177.43 177.17 1lk0 n ASN 88 N -3.68 1.36 -4.65 5.81 5.03 -1.03 -4.93 115.26 113.18 1lk0 n ASN 88 Ca -0.01 -1.49 -0.46 0.00 0.87 0.00 0.00 54.58 53.49 1lk0 n ASN 88 Cb 0.52 -0.02 -0.04 0.00 -1.02 0.00 0.00 39.78 39.22 1lk0 n ASN 88 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1lk0 n LEU 89 N 0.08 3.52 0.00 3.41 4.77 -1.10 -4.85 117.00 122.83 1lk0 n LEU 89 Ca 0.19 0.81 0.03 0.00 -0.03 0.00 0.00 56.01 57.01 1lk0 n LEU 89 Cb 0.32 -1.43 0.15 0.00 -2.33 0.00 0.00 43.42 40.13 1lk0 n LEU 89 CO 0.16 -0.12 0.49 -0.81 -1.33 0.00 0.00 177.39 175.78 1lk0 n PRO 90 N 7.29 0.10 0.09 3.23 -0.04 -1.26 -2.11 135.00 142.30 1lk0 n PRO 90 Ca 0.24 0.19 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 1lk0 n PRO 90 Cb 0.34 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1lk0 n PRO 90 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1lk0 h ILE 91 N 0.00 1.03 -2.88 0.52 -0.00 -1.98 -3.45 117.51 110.75 1lk0 h ILE 91 Ca 0.00 -2.52 -0.56 0.00 -0.00 0.00 0.00 64.86 61.78 1lk0 h ILE 91 Cb 0.04 2.47 -0.02 0.00 -0.00 0.00 0.00 36.82 39.31 1lk0 h ILE 91 CO 0.00 0.59 0.89 -0.76 -0.00 0.00 0.00 178.15 178.87 1lk0 s LEU 92 N -6.40 4.25 0.42 2.19 1.43 -0.90 -5.00 118.68 114.67 1lk0 s LEU 92 Ca 0.02 1.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 1lk0 s LEU 92 Cb 0.08 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 1lk0 s LEU 92 CO 0.78 -0.76 1.40 -2.84 0.23 0.00 0.00 176.35 175.16 1lk0 s PRO 93 N 3.20 3.89 0.57 1.29 0.02 -1.26 -4.94 135.00 137.77 1lk0 s PRO 93 Ca 0.60 2.37 0.27 0.00 0.02 0.00 0.00 61.00 64.26 1lk0 s PRO 93 Cb -0.26 -2.77 1.70 0.00 0.02 0.00 0.00 34.50 33.18 1lk0 s PRO 93 CO 0.21 -0.64 2.23 -1.35 -0.33 0.00 0.00 177.00 177.12 1lk0 h PRO 94 N 2.62 0.00 0.00 5.54 0.11 -1.96 -2.88 132.00 135.43 1lk0 h PRO 94 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1lk0 h PRO 94 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1lk0 h PRO 94 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1lk0 n ASN 95 N -4.01 0.55 -4.72 -2.05 6.94 -1.26 -4.79 115.26 105.92 1lk0 n ASN 95 Ca -0.03 0.57 -0.38 0.00 -0.02 0.00 0.00 54.58 54.72 1lk0 n ASN 95 Cb 0.09 -0.71 -0.06 0.00 -2.36 0.00 0.00 39.78 36.74 1lk0 n ASN 95 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1lk0 s VAL 96 N -3.12 5.16 0.18 3.53 1.01 -1.09 -5.04 120.40 121.03 1lk0 s VAL 96 Ca 0.10 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1lk0 s VAL 96 Cb 0.13 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1lk0 s VAL 96 CO 0.52 0.30 1.35 -0.54 0.00 0.00 0.00 175.10 176.73 1lk0 s LYS 97 N 0.71 4.35 0.01 2.72 3.01 -1.26 -4.90 119.74 124.38 1lk0 s LYS 97 Ca 0.28 2.09 0.08 0.00 -1.01 0.00 0.00 55.97 57.41 1lk0 s LYS 97 Cb -0.16 -3.20 -0.02 0.00 -1.01 0.00 0.00 37.83 33.44 1lk0 s LYS 97 CO 0.12 -0.33 -0.25 0.15 0.51 0.00 0.00 175.35 175.55 1lk0 s LYS 98 N 0.20 1.85 -0.05 1.68 1.02 -1.26 -1.06 119.74 122.12 1lk0 s LYS 98 Ca 0.59 -0.96 -0.09 0.00 0.02 0.00 0.00 55.97 55.53 1lk0 s LYS 98 Cb -0.37 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1lk0 s LYS 98 CO 0.37 0.50 0.23 -1.21 -0.92 0.00 0.00 175.35 174.32 1lk0 s GLU 99 N -0.86 0.41 -0.19 1.68 2.02 -0.43 -4.97 118.70 116.35 1lk0 s GLU 99 Ca 0.10 0.05 -0.04 0.00 0.02 0.00 0.00 54.97 55.10 1lk0 s GLU 99 Cb -0.10 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 1lk0 s GLU 99 CO 0.00 -0.08 -0.03 -1.58 0.02 0.00 0.00 175.26 173.59 1lk0 s HIS 100 N -0.53 2.99 -0.28 1.61 5.65 -1.26 -1.13 115.29 122.33 1lk0 s HIS 100 Ca -0.06 -0.59 -0.05 0.00 0.25 0.00 0.00 55.06 54.61 1lk0 s HIS 100 Cb -0.04 -2.05 0.02 0.00 -1.18 0.00 0.00 32.58 29.33 1lk0 s HIS 100 CO 0.01 -0.30 0.03 -1.58 -0.65 0.00 0.00 174.74 172.26 1lk0 s TRP 101 N 0.99 3.14 -0.17 3.88 0.52 -0.39 -4.96 118.94 121.95 1lk0 s TRP 101 Ca 0.01 -1.27 -0.29 0.00 0.02 0.00 0.00 56.10 54.56 1lk0 s TRP 101 Cb -0.15 -2.18 -0.00 0.00 -1.15 0.00 0.00 33.47 29.99 1lk0 s TRP 101 CO 0.01 -0.66 1.03 0.20 0.02 0.00 0.00 176.95 177.56 1lk0 s GLY 102 N 1.42 1.99 -0.00 0.98 0.00 -1.26 -4.34 107.32 106.10 1lk0 s GLY 102 Ca 0.01 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1lk0 s GLY 102 CO 0.00 2.08 -0.00 -1.36 0.00 0.00 0.00 173.10 173.82 1lk0 s PHE 103 N 2.68 0.02 0.56 1.90 0.40 -1.26 -5.10 117.98 117.17 1lk0 s PHE 103 Ca 0.46 -0.00 -0.20 0.00 -0.60 0.00 0.00 56.93 56.59 1lk0 s PHE 103 Cb -0.17 -0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.30 1lk0 s PHE 103 CO 0.12 -0.00 1.21 -0.51 0.70 0.00 0.00 175.22 176.73 1lk0 s ASP 104 N 0.01 5.44 -0.36 1.36 1.01 -1.26 -4.90 116.67 117.97 1lk0 s ASP 104 Ca -0.00 2.39 -0.29 0.00 0.71 0.00 0.00 52.55 55.36 1lk0 s ASP 104 Cb -0.00 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.34 1lk0 s ASP 104 CO -0.00 -1.42 1.16 -0.62 0.21 0.00 0.00 175.17 174.49 1lk0 s ASP 105 N -1.49 6.77 0.44 0.27 -1.08 -1.26 -4.91 116.67 115.40 1lk0 s ASP 105 Ca 0.74 0.92 0.30 0.00 -0.52 0.00 0.00 52.55 53.98 1lk0 s ASP 105 Cb -0.30 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 39.83 1lk0 s ASP 105 CO 0.34 -1.05 1.88 1.55 0.52 0.00 0.00 175.17 178.41 1lk0 h PRO 106 N 8.77 0.00 -6.54 4.34 0.13 -1.92 -3.46 132.00 133.32 1lk0 h PRO 106 Ca -0.23 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 1lk0 h PRO 106 Cb 1.07 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.25 1lk0 h PRO 106 CO 1.06 0.00 1.01 0.00 -0.23 0.00 0.00 178.00 179.84 1lk0 n ALA 107 N -1.97 2.12 0.00 -0.56 0.00 -1.26 -1.89 120.51 116.95 1lk0 n ALA 107 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1lk0 n ALA 107 Cb 0.28 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1lk0 n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lk0 n GLY 108 N 3.97 2.58 3.97 0.00 0.00 -1.26 -5.04 105.19 109.41 1lk0 n GLY 108 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1lk0 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lk0 s LYS 109 N -0.69 2.65 0.94 1.61 1.02 -0.79 -5.10 119.74 119.38 1lk0 s LYS 109 Ca 0.00 -0.75 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 1lk0 s LYS 109 Cb 0.00 -2.51 0.16 0.00 -0.52 0.00 0.00 37.83 34.95 1lk0 s LYS 109 CO 0.00 -0.61 1.10 -1.83 -0.92 0.00 0.00 175.35 173.09 1lk0 s GLU 110 N -4.70 0.88 0.36 1.68 -1.05 -1.26 -4.90 118.70 109.71 1lk0 s GLU 110 Ca 0.56 0.55 0.07 0.00 -0.15 0.00 0.00 54.97 55.99 1lk0 s GLU 110 Cb -0.10 -1.79 0.75 0.00 -0.44 0.00 0.00 34.13 32.55 1lk0 s GLU 110 CO 0.38 -2.43 1.93 2.35 0.95 0.00 0.00 175.26 178.44 1lk0 h TRP 111 N -1.68 0.79 0.00 4.83 2.91 -1.99 -2.18 115.95 118.64 1lk0 h TRP 111 Ca -0.52 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.51 1lk0 h TRP 111 Cb 1.31 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 29.71 1lk0 h TRP 111 CO 0.34 0.38 -0.04 0.66 -1.03 0.00 0.00 178.44 178.76 1lk0 h SER 112 N 0.75 0.00 0.96 2.65 4.64 -1.99 -1.37 113.55 119.19 1lk0 h SER 112 Ca 0.36 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.47 1lk0 h SER 112 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1lk0 h SER 112 CO -0.13 0.04 -1.08 -0.33 -0.87 0.00 0.00 176.83 174.46 1lk0 h GLU 113 N 0.00 0.00 -0.23 4.77 4.39 -1.75 -2.05 114.58 119.71 1lk0 h GLU 113 Ca -0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1lk0 h GLU 113 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1lk0 h GLU 113 CO 0.00 0.84 -0.57 0.74 -1.16 0.00 0.00 179.01 178.86 1lk0 h PHE 114 N 0.00 0.92 -0.49 4.33 -1.00 -1.29 -2.10 116.94 117.32 1lk0 h PHE 114 Ca -0.06 -0.34 -0.13 0.00 2.81 0.00 0.00 57.97 60.26 1lk0 h PHE 114 Cb 1.76 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 41.14 1lk0 h PHE 114 CO 0.00 1.13 -0.19 1.96 -1.61 0.00 0.00 178.31 179.59 1lk0 h GLN 115 N 0.55 0.98 0.25 1.51 4.20 -1.41 -1.87 115.11 119.33 1lk0 h GLN 115 Ca 0.01 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1lk0 h GLN 115 Cb 1.15 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1lk0 h GLN 115 CO 0.12 1.08 -0.12 -0.09 -0.67 0.00 0.00 178.83 179.14 1lk0 h ARG 116 N 0.85 -0.33 -0.87 1.46 2.43 -1.28 -1.58 114.38 115.07 1lk0 h ARG 116 Ca 0.12 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1lk0 h ARG 116 Cb 0.76 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 1lk0 h ARG 116 CO 0.06 -0.12 0.46 0.28 -1.51 0.00 0.00 179.97 179.14 1lk0 h VAL 117 N -0.47 1.26 -0.48 0.20 2.07 -1.39 -0.12 116.25 117.32 1lk0 h VAL 117 Ca -0.03 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1lk0 h VAL 117 Cb 0.35 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1lk0 h VAL 117 CO 0.06 0.30 0.31 -0.09 0.02 0.00 0.00 177.57 178.17 1lk0 h ARG 118 N 1.22 0.62 0.00 1.57 2.43 -1.23 -1.63 114.38 117.36 1lk0 h ARG 118 Ca 0.30 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1lk0 h ARG 118 Cb 0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1lk0 h ARG 118 CO -0.05 0.41 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.89 1lk0 h ASP 119 N 0.64 0.00 0.04 -3.80 3.32 -0.85 -2.31 116.42 113.46 1lk0 h ASP 119 Ca 0.18 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 1lk0 h ASP 119 Cb -0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1lk0 h ASP 119 CO -0.04 0.50 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.12 1lk0 h GLU 120 N 0.00 0.53 -0.45 3.56 5.08 -0.65 -2.07 114.58 120.59 1lk0 h GLU 120 Ca -0.00 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 1lk0 h GLU 120 Cb 1.10 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1lk0 h GLU 120 CO 0.06 0.93 -0.24 0.82 -1.00 0.00 0.00 179.01 179.58 1lk0 h ILE 121 N 0.42 1.27 0.29 3.13 2.04 -1.16 -1.73 117.51 121.77 1lk0 h ILE 121 Ca 0.01 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1lk0 h ILE 121 Cb 1.05 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1lk0 h ILE 121 CO 0.10 0.48 -0.26 0.50 0.00 0.00 0.00 178.15 178.97 1lk0 h LYS 122 N 0.81 -0.55 0.00 2.37 3.64 -1.19 -1.82 116.57 119.83 1lk0 h LYS 122 Ca 0.10 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1lk0 h LYS 122 Cb 0.82 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1lk0 h LYS 122 CO 0.07 -0.36 -0.29 -0.07 -2.27 0.00 0.00 179.45 176.53 1lk0 h LEU 123 N -0.57 0.00 -0.69 5.20 3.38 -1.37 -0.67 115.31 120.59 1lk0 h LEU 123 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1lk0 h LEU 123 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1lk0 h LEU 123 CO -0.03 0.29 -0.25 0.00 0.09 0.00 0.00 178.44 178.53 1lk0 h ALA 124 N 1.71 0.87 -0.00 1.53 0.00 -1.02 -0.41 119.26 121.95 1lk0 h ALA 124 Ca -0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1lk0 h ALA 124 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1lk0 h ALA 124 CO 0.04 0.63 -0.88 0.82 0.00 0.00 0.00 179.25 179.86 1lk0 h ILE 125 N 0.64 1.46 -0.35 0.00 2.04 -0.82 -1.44 117.51 119.04 1lk0 h ILE 125 Ca 0.08 -2.52 -0.11 0.00 1.00 0.00 0.00 64.86 63.31 1lk0 h ILE 125 Cb 0.76 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1lk0 h ILE 125 CO 0.06 0.74 -0.24 -0.33 0.00 0.00 0.00 178.15 178.39 1lk0 h GLU 126 N 0.15 0.70 -0.27 2.37 4.39 -0.81 -2.35 114.58 118.76 1lk0 h GLU 126 Ca -0.05 -0.28 -0.15 0.00 0.34 0.00 0.00 59.36 59.22 1lk0 h GLU 126 Cb 1.50 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.11 1lk0 h GLU 126 CO 0.14 0.87 -0.45 -0.22 -1.16 0.00 0.00 179.01 178.19 1lk0 h LYS 127 N 0.61 0.70 -0.87 2.33 3.64 -1.00 -3.07 116.57 118.90 1lk0 h LYS 127 Ca 0.08 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1lk0 h LYS 127 Cb 0.72 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1lk0 h LYS 127 CO 0.06 1.01 0.55 0.35 -2.27 0.00 0.00 179.45 179.15 1lk0 h PHE 128 N 0.56 1.11 -0.01 1.91 3.57 -0.97 -2.15 116.94 120.96 1lk0 h PHE 128 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1lk0 h PHE 128 Cb 1.00 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1lk0 h PHE 128 CO 0.05 0.72 0.03 -0.22 -2.23 0.00 0.00 178.31 176.66 1lk0 h LYS 129 N 1.18 0.00 -0.57 1.11 3.64 -1.33 -2.17 116.57 118.44 1lk0 h LYS 129 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1lk0 h LYS 129 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1lk0 h LYS 129 CO -0.06 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.40 1lk0 n LEU 130 N -3.39 3.44 0.00 5.20 4.77 -0.81 -5.14 117.00 121.08 1lk0 n LEU 130 Ca -0.03 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 1lk0 n LEU 130 Cb 0.10 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1lk0 n LEU 130 CO 0.23 0.82 0.22 0.54 -1.33 0.00 0.00 177.39 177.88