#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 4.40 0.60 -0.67 1.02 -1.26 -5.01 119.74 118.81 1lk0 s LYS 3 Ca 0.00 2.13 -0.00 0.00 0.02 0.00 0.00 55.97 58.12 1lk0 s LYS 3 Cb 0.00 -3.11 0.05 0.00 -0.52 0.00 0.00 37.83 34.24 1lk0 s LYS 3 CO 0.00 -0.16 0.84 0.15 -0.92 0.00 0.00 175.35 175.26 1lk0 s LYS 4 N -1.32 2.39 -0.11 1.68 1.02 -0.51 -4.83 119.74 118.05 1lk0 s LYS 4 Ca 0.50 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1lk0 s LYS 4 Cb -0.38 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1lk0 s LYS 4 CO 0.48 -0.89 -0.17 0.99 -0.92 0.00 0.00 175.35 174.83 1lk0 s THR 5 N -2.89 1.65 -0.09 2.17 2.01 -1.26 -0.22 115.64 117.01 1lk0 s THR 5 Ca 0.59 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1lk0 s THR 5 Cb -0.10 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1lk0 s THR 5 CO 0.40 0.47 -0.16 -0.51 -0.69 0.00 0.00 174.62 174.14 1lk0 s ILE 6 N 0.84 2.87 -0.22 1.82 2.07 -0.55 -0.49 121.20 127.54 1lk0 s ILE 6 Ca -0.09 -0.76 0.01 0.00 -1.41 0.00 0.00 60.65 58.40 1lk0 s ILE 6 Cb -0.15 -2.15 0.05 0.00 0.13 0.00 0.00 42.46 40.34 1lk0 s ILE 6 CO 0.00 0.56 -0.10 -0.47 -1.91 0.00 0.00 174.94 173.02 1lk0 s TYR 7 N -0.16 2.64 -0.23 3.50 6.04 -0.28 -1.73 117.35 127.13 1lk0 s TYR 7 Ca -0.01 -1.82 -0.19 0.00 0.04 0.00 0.00 57.07 55.09 1lk0 s TYR 7 Cb -0.14 -1.71 -0.03 0.00 -1.04 0.00 0.00 41.96 39.05 1lk0 s TYR 7 CO 0.03 -0.79 0.56 -0.06 -1.54 0.00 0.00 175.55 173.75 1lk0 s PHE 8 N 1.32 3.32 -0.12 4.97 0.40 -0.10 -0.49 117.98 127.28 1lk0 s PHE 8 Ca -0.04 0.77 0.02 0.00 -0.60 0.00 0.00 56.93 57.07 1lk0 s PHE 8 Cb -0.18 -2.74 -0.01 0.00 0.51 0.00 0.00 43.02 40.60 1lk0 s PHE 8 CO -0.07 -0.22 -0.18 0.42 0.70 0.00 0.00 175.22 175.87 1lk0 s ILE 9 N 2.08 2.62 -0.28 0.64 -1.09 0.62 -1.31 121.20 124.47 1lk0 s ILE 9 Ca 0.24 -0.82 -0.15 0.00 -2.23 0.00 0.00 60.65 57.69 1lk0 s ILE 9 Cb -0.16 -2.06 0.09 0.00 -1.58 0.00 0.00 42.46 38.76 1lk0 s ILE 9 CO 0.09 0.54 0.70 0.00 -1.23 0.00 0.00 174.94 175.04 1lk0 n THR 11 N 4.49 0.53 0.00 0.00 -1.04 -1.26 -1.61 114.28 115.40 1lk0 n THR 11 Ca -0.19 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1lk0 n THR 11 Cb 0.57 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1lk0 n THR 11 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lk0 n GLY 12 N 4.35 2.36 3.96 3.41 0.00 -0.20 -4.73 105.19 114.34 1lk0 n GLY 12 Ca 0.23 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 0.23 -1.53 0.00 1.61 4.05 -0.63 -0.87 115.26 118.12 1lk0 n ASN 13 Ca 0.00 -1.08 0.00 0.00 0.45 0.00 0.00 54.58 53.95 1lk0 n ASN 13 Cb 0.00 -2.78 0.00 0.00 1.23 0.00 0.00 39.78 38.23 1lk0 n ASN 13 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1lk0 n SER 14 N -2.82 4.35 0.00 1.20 3.41 -1.26 -4.41 113.62 114.08 1lk0 n SER 14 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1lk0 n SER 14 Cb 0.66 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 1lk0 n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lk0 h ARG 16 N 0.00 0.60 0.00 0.00 3.08 -1.97 -1.46 114.38 114.63 1lk0 h ARG 16 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1lk0 h ARG 16 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1lk0 h ARG 16 CO 0.00 0.40 -0.40 0.66 -1.07 0.00 0.00 179.97 179.55 1lk0 h SER 17 N 0.62 0.00 0.25 7.04 4.64 -1.92 -1.53 113.55 122.64 1lk0 h SER 17 Ca 0.32 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.43 1lk0 h SER 17 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1lk0 h SER 17 CO -0.23 0.40 -0.85 1.56 -0.87 0.00 0.00 176.83 176.85 1lk0 h GLN 18 N 0.00 0.46 -0.29 4.77 1.08 -1.69 -1.10 115.11 118.34 1lk0 h GLN 18 Ca -0.00 -0.43 -0.15 0.00 -1.45 0.00 0.00 58.65 56.62 1lk0 h GLN 18 Cb 0.92 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1lk0 h GLN 18 CO 0.05 1.08 -0.43 0.52 -0.95 0.00 0.00 178.83 179.10 1lk0 h MET 19 N 0.28 0.72 -0.64 1.46 2.86 -1.13 -1.52 114.93 116.96 1lk0 h MET 19 Ca -0.06 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.13 1lk0 h MET 19 Cb 1.46 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.11 1lk0 h MET 19 CO 0.15 1.01 0.16 0.00 1.06 0.00 0.00 176.91 179.28 1lk0 h ALA 20 N 0.94 0.84 -0.59 6.32 0.00 -1.18 -0.37 119.26 125.22 1lk0 h ALA 20 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1lk0 h ALA 20 Cb 0.97 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1lk0 h ALA 20 CO 0.09 0.55 0.16 1.49 0.00 0.00 0.00 179.25 181.54 1lk0 h GLU 21 N 0.94 0.93 -0.08 0.00 4.81 -1.07 0.31 114.58 120.43 1lk0 h GLU 21 Ca 0.20 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1lk0 h GLU 21 Cb 0.36 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1lk0 h GLU 21 CO 0.00 0.85 0.04 0.78 -0.73 0.00 0.00 179.01 179.95 1lk0 h GLY 22 N 0.84 0.13 1.15 1.92 0.00 -0.90 -0.65 103.07 105.56 1lk0 h GLY 22 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 1lk0 h GLY 22 CO -0.00 0.06 -0.12 1.49 0.00 0.00 0.00 176.54 177.97 1lk0 h TRP 23 N 0.01 1.11 -0.27 5.60 -0.00 -0.97 -2.82 115.95 118.61 1lk0 h TRP 23 Ca 0.03 -0.23 0.01 0.00 -0.00 0.00 0.00 58.89 58.70 1lk0 h TRP 23 Cb 0.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 28.99 1lk0 h TRP 23 CO -0.03 1.04 0.15 0.78 -0.00 0.00 0.00 178.44 180.37 1lk0 h GLY 24 N 0.94 0.36 1.36 1.49 0.00 -0.21 0.34 103.07 107.37 1lk0 h GLY 24 Ca 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1lk0 h GLY 24 CO 0.05 0.10 0.31 0.50 0.00 0.00 0.00 176.54 177.50 1lk0 h LYS 25 N 0.31 0.83 -0.05 4.80 1.57 -1.06 0.19 116.57 123.17 1lk0 h LYS 25 Ca 0.11 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1lk0 h LYS 25 Cb 0.01 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.16 1lk0 h LYS 25 CO -0.06 0.63 -0.38 1.49 -0.57 0.00 0.00 179.45 180.56 1lk0 h GLU 26 N 0.84 0.34 0.13 3.15 4.57 -1.20 -2.71 114.58 119.71 1lk0 h GLU 26 Ca 0.21 -0.30 -0.35 0.00 -1.18 0.00 0.00 59.36 57.74 1lk0 h GLU 26 Cb 0.05 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1lk0 h GLU 26 CO -0.03 0.96 -1.89 0.82 -1.18 0.00 0.00 179.01 177.69 1lk0 h ILE 27 N -0.18 0.72 -0.02 2.32 2.04 -0.90 -3.40 117.51 118.10 1lk0 h ILE 27 Ca -0.03 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1lk0 h ILE 27 Cb 1.06 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1lk0 h ILE 27 CO 0.08 0.86 -0.33 0.18 0.00 0.00 0.00 178.15 178.94 1lk0 n LEU 28 N -3.57 2.32 -0.41 1.44 4.77 0.67 -4.72 117.00 117.50 1lk0 n LEU 28 Ca -0.30 -0.83 0.34 0.00 -0.03 0.00 0.00 56.01 55.19 1lk0 n LEU 28 Cb 1.03 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.78 1lk0 n LEU 28 CO 0.44 0.42 1.29 1.23 -1.33 0.00 0.00 177.39 179.43 1lk0 h GLY 29 N 4.78 0.77 1.86 -0.72 0.00 -1.34 0.25 103.07 108.67 1lk0 h GLY 29 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1lk0 h GLY 29 CO 0.00 -0.17 -0.54 1.05 0.00 0.00 0.00 176.54 176.88 1lk0 h GLU 30 N 0.14 0.15 -0.00 4.80 -0.00 -1.85 -3.33 114.58 114.49 1lk0 h GLU 30 Ca 0.70 -0.09 0.00 0.00 -0.00 0.00 0.00 59.36 59.97 1lk0 h GLU 30 Cb 2.32 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 31.08 1lk0 h GLU 30 CO -0.22 0.66 -0.00 0.41 -0.00 0.00 0.00 179.01 179.85 1lk0 n GLY 31 N 0.09 -1.30 3.03 1.06 0.00 -0.88 -4.94 105.19 102.26 1lk0 n GLY 31 Ca -0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.11 0.64 -0.23 1.61 0.52 0.03 -1.42 118.94 119.97 1lk0 s TRP 32 Ca 0.01 -0.33 -0.13 0.00 0.02 0.00 0.00 56.10 55.67 1lk0 s TRP 32 Cb 0.01 -0.39 -0.05 0.00 -1.15 0.00 0.00 33.47 31.89 1lk0 s TRP 32 CO 0.01 -0.05 0.26 -0.80 0.02 0.00 0.00 176.95 176.39 1lk0 s ASN 33 N -1.00 6.24 -0.16 2.95 0.01 0.69 -4.35 114.94 119.33 1lk0 s ASN 33 Ca -0.05 0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 52.37 1lk0 s ASN 33 Cb -0.07 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 1lk0 s ASN 33 CO 0.00 0.01 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.78 1lk0 s VAL 34 N 1.17 2.94 0.12 1.60 1.01 -1.26 -1.48 120.40 124.51 1lk0 s VAL 34 Ca 0.12 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1lk0 s VAL 34 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1lk0 s VAL 34 CO 0.06 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.26 1lk0 s TYR 35 N 0.73 1.12 0.01 5.22 1.51 -0.71 -4.95 117.35 120.29 1lk0 s TYR 35 Ca -0.06 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.21 1lk0 s TYR 35 Cb -0.15 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1lk0 s TYR 35 CO 0.01 -0.00 -0.00 -1.54 -1.11 0.00 0.00 175.55 172.91 1lk0 s SER 36 N -3.02 0.14 0.24 2.29 1.04 -1.26 -0.92 113.70 112.20 1lk0 s SER 36 Ca 0.13 -0.30 -0.22 0.00 0.48 0.00 0.00 55.95 56.05 1lk0 s SER 36 Cb 0.03 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1lk0 s SER 36 CO -0.01 -0.20 0.80 0.00 0.98 0.00 0.00 173.24 174.80 1lk0 s ALA 37 N -0.95 -1.35 0.06 5.32 0.00 -0.43 -4.55 121.76 119.86 1lk0 s ALA 37 Ca -0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.62 1lk0 s ALA 37 Cb -0.06 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1lk0 s ALA 37 CO -0.00 -1.04 0.12 0.20 0.00 0.00 0.00 175.76 175.03 1lk0 s GLY 38 N -2.93 0.19 0.52 0.00 0.00 -0.73 -1.94 107.32 102.44 1lk0 s GLY 38 Ca 0.11 -0.71 0.17 0.00 0.00 0.00 0.00 44.72 44.30 1lk0 s GLY 38 CO 0.06 -0.86 2.15 1.19 0.00 0.00 0.00 173.10 175.63 1lk0 h ILE 39 N 3.13 0.97 -4.01 0.90 6.09 -1.88 -2.75 117.51 119.96 1lk0 h ILE 39 Ca -0.33 0.00 -0.19 0.00 -1.37 0.00 0.00 64.86 62.96 1lk0 h ILE 39 Cb 1.18 0.99 -0.18 0.00 0.47 0.00 0.00 36.82 39.28 1lk0 h ILE 39 CO 0.56 0.00 -0.70 -1.83 -3.07 0.00 0.00 178.15 173.11 1lk0 s GLU 40 N -5.05 0.58 -0.13 2.19 -1.05 -1.26 -4.76 118.70 109.23 1lk0 s GLU 40 Ca -0.05 -1.00 -0.04 0.00 -0.15 0.00 0.00 54.97 53.73 1lk0 s GLU 40 Cb 0.17 -0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 1lk0 s GLU 40 CO 0.67 -0.04 0.02 0.95 0.95 0.00 0.00 175.26 177.81 1lk0 s THR 41 N -2.69 4.47 -0.49 1.83 -4.23 -1.26 -1.04 115.64 112.23 1lk0 s THR 41 Ca -0.01 -0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.37 1lk0 s THR 41 Cb -0.01 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1lk0 s THR 41 CO -0.04 0.55 0.62 1.41 -0.54 0.00 0.00 174.62 176.61 1lk0 n HIS 42 N 2.78 0.00 0.00 3.99 8.25 -0.05 -4.93 115.22 125.26 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 0.24 0.02 3.65 -1.41 0.00 -1.25 -4.90 105.19 101.54 1lk0 n GLY 43 Ca 0.02 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.73 4.00 0.08 1.61 1.01 -1.26 -4.28 120.40 118.82 1lk0 s VAL 44 Ca 0.00 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.86 1lk0 s VAL 44 Cb 0.00 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 1lk0 s VAL 44 CO 0.00 -0.17 1.33 0.21 0.00 0.00 0.00 175.10 176.47 1lk0 s ASN 45 N 2.74 6.91 0.59 3.32 3.84 -0.84 -4.93 114.94 126.58 1lk0 s ASN 45 Ca 0.62 2.19 0.30 0.00 0.21 0.00 0.00 52.86 56.18 1lk0 s ASN 45 Cb -0.25 -2.58 1.84 0.00 -0.55 0.00 0.00 41.25 39.71 1lk0 s ASN 45 CO 0.21 -0.61 2.25 1.55 -2.79 0.00 0.00 177.10 177.72 1lk0 h PRO 46 N 6.99 0.00 0.00 0.43 0.13 -1.93 -1.43 132.00 136.19 1lk0 h PRO 46 Ca -0.41 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.63 1lk0 h PRO 46 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1lk0 h PRO 46 CO 0.86 0.00 -0.44 0.87 -0.23 0.00 0.00 178.00 179.05 1lk0 h LYS 47 N 0.00 0.00 0.03 0.86 1.57 -1.95 -0.61 116.57 116.46 1lk0 h LYS 47 Ca 0.01 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1lk0 h LYS 47 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1lk0 h LYS 47 CO -0.00 0.44 -0.99 0.00 -0.57 0.00 0.00 179.45 178.33 1lk0 h ALA 48 N 1.56 0.33 -0.37 3.86 0.00 -1.57 -1.11 119.26 121.95 1lk0 h ALA 48 Ca -0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 1lk0 h ALA 48 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1lk0 h ALA 48 CO 0.06 0.86 -0.08 0.82 0.00 0.00 0.00 179.25 180.90 1lk0 h ILE 49 N 0.18 1.27 -0.39 0.00 2.04 -1.23 -2.46 117.51 116.93 1lk0 h ILE 49 Ca -0.09 -1.15 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 1lk0 h ILE 49 Cb 1.64 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1lk0 h ILE 49 CO 0.17 0.38 -0.18 -0.08 0.00 0.00 0.00 178.15 178.43 1lk0 h GLU 50 N 0.52 0.74 -0.71 2.37 4.81 -1.10 -1.27 114.58 119.93 1lk0 h GLU 50 Ca 0.10 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1lk0 h GLU 50 Cb 0.59 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1lk0 h GLU 50 CO 0.04 0.87 0.19 0.00 -0.73 0.00 0.00 179.01 179.37 1lk0 h ALA 51 N 1.14 0.98 0.00 2.92 0.00 -1.08 -2.58 119.26 120.64 1lk0 h ALA 51 Ca 0.10 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1lk0 h ALA 51 Cb 0.67 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1lk0 h ALA 51 CO 0.05 0.66 -0.77 0.52 0.00 0.00 0.00 179.25 179.72 1lk0 h MET 52 N 1.08 0.00 -0.09 0.00 2.86 -1.26 -3.18 114.93 114.33 1lk0 h MET 52 Ca 0.23 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 1lk0 h MET 52 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1lk0 h MET 52 CO -0.00 0.77 -0.26 -0.22 1.06 0.00 0.00 176.91 178.25 1lk0 h LYS 53 N 0.00 0.17 0.00 1.72 3.64 -0.91 -0.66 116.57 120.53 1lk0 h LYS 53 Ca -0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1lk0 h LYS 53 Cb 1.46 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1lk0 h LYS 53 CO 0.10 0.43 -0.11 0.93 -2.27 0.00 0.00 179.45 178.53 1lk0 h GLU 54 N 0.15 0.00 -0.42 1.90 5.08 -1.45 -2.36 114.58 117.48 1lk0 h GLU 54 Ca 0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 1lk0 h GLU 54 Cb 0.55 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 1lk0 h GLU 54 CO 0.04 0.11 0.04 1.33 -1.00 0.00 0.00 179.01 179.53 1lk0 n VAL 55 N -4.19 2.59 -2.68 3.13 0.24 -1.00 -4.97 118.33 111.45 1lk0 n VAL 55 Ca -0.03 -2.39 -0.21 0.00 -2.04 0.00 0.00 64.34 59.68 1lk0 n VAL 55 Cb 0.19 -0.32 0.01 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.93 -5.71 -4.26 -1.34 10.43 -0.89 -5.00 116.55 108.84 1lk0 n ASP 56 Ca 0.34 -0.11 -0.35 0.00 2.57 0.00 0.00 54.79 57.24 1lk0 n ASP 56 Cb 1.09 -4.70 -0.14 0.00 1.84 0.00 0.00 41.12 39.21 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 -3.05 3.09 -0.46 0.53 -1.09 -0.29 -5.01 121.20 114.92 1lk0 s ILE 57 Ca 0.13 -0.64 -0.21 0.00 -2.23 0.00 0.00 60.65 57.70 1lk0 s ILE 57 Cb -0.06 -2.41 0.03 0.00 -1.58 0.00 0.00 42.46 38.44 1lk0 s ILE 57 CO 0.16 0.41 0.71 -0.62 -1.23 0.00 0.00 174.94 174.37 1lk0 s ASP 58 N 1.43 6.33 -0.14 3.58 2.15 -1.26 -3.09 116.67 125.67 1lk0 s ASP 58 Ca 0.05 -0.37 0.18 0.00 0.43 0.00 0.00 52.55 52.84 1lk0 s ASP 58 Cb -0.14 -2.34 0.37 0.00 -0.30 0.00 0.00 42.92 40.50 1lk0 s ASP 58 CO -0.05 -0.88 1.24 2.30 -0.17 0.00 0.00 175.17 177.61 1lk0 n ILE 59 N 5.93 2.01 0.26 4.11 -5.35 -1.26 -4.72 119.36 120.34 1lk0 n ILE 59 Ca -0.01 -2.11 0.15 0.00 -0.27 0.00 0.00 62.75 60.51 1lk0 n ILE 59 Cb 0.47 -0.23 0.61 0.00 -1.74 0.00 0.00 39.64 38.76 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 0.64 0.00 0.07 7.28 4.64 -1.91 -2.71 113.55 121.56 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 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1lk0 h SER 60 CO 0.08 0.06 -0.09 0.59 -0.87 0.00 0.00 176.83 176.60 1lk0 n ASN 61 N -3.19 1.35 -4.79 4.97 3.02 -1.26 -4.93 115.26 110.43 1lk0 n ASN 61 Ca 0.00 -1.29 -0.33 0.00 -0.03 0.00 0.00 54.58 52.93 1lk0 n ASN 61 Cb 0.34 0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1lk0 n ASN 61 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1lk0 s HIS 62 N -2.18 2.84 0.18 3.10 3.76 -1.03 -5.07 115.29 116.89 1lk0 s HIS 62 Ca 0.33 1.53 0.11 0.00 -0.15 0.00 0.00 55.06 56.88 1lk0 s HIS 62 Cb 0.20 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1lk0 s HIS 62 CO 0.40 -1.33 -0.24 0.95 -0.85 0.00 0.00 174.74 173.67 1lk0 s THR 63 N -2.33 2.28 -0.50 1.30 -4.23 -1.26 -4.95 115.64 105.96 1lk0 s THR 63 Ca 0.66 -1.97 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 1lk0 s THR 63 Cb -0.18 -2.07 0.04 0.00 1.34 0.00 0.00 72.50 71.63 1lk0 s THR 63 CO 0.36 -0.10 0.72 -0.55 -0.54 0.00 0.00 174.62 174.52 1lk0 s SER 64 N -2.56 6.29 0.06 3.99 0.15 -1.26 -4.95 113.70 115.42 1lk0 s SER 64 Ca 0.19 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.30 1lk0 s SER 64 Cb -0.08 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1lk0 s SER 64 CO 0.09 -0.96 -0.04 -1.81 1.20 0.00 0.00 173.24 171.72 1lk0 s ASP 65 N 2.53 4.80 0.62 5.45 1.01 -1.26 -4.88 116.67 124.94 1lk0 s ASP 65 Ca 0.22 -0.20 -0.11 0.00 0.71 0.00 0.00 52.55 53.17 1lk0 s ASP 65 Cb -0.16 -1.10 -0.04 0.00 1.01 0.00 0.00 42.92 42.63 1lk0 s ASP 65 CO 0.16 0.21 1.03 -0.76 0.21 0.00 0.00 175.17 176.03 1lk0 s LEU 66 N -1.99 3.23 0.12 1.23 1.43 -1.26 -1.77 118.68 119.67 1lk0 s LEU 66 Ca 0.22 1.43 -0.31 0.00 -1.03 0.00 0.00 54.13 54.44 1lk0 s LEU 66 Cb -0.11 -4.47 -0.08 0.00 0.03 0.00 0.00 46.19 41.55 1lk0 s LEU 66 CO 0.14 -0.90 1.44 -0.63 0.23 0.00 0.00 176.35 176.62 1lk0 s ILE 67 N -3.16 3.16 -0.24 -0.59 1.01 -1.04 -4.64 121.20 115.69 1lk0 s ILE 67 Ca 0.55 0.82 -0.10 0.00 0.00 0.00 0.00 60.65 61.92 1lk0 s ILE 67 Cb -0.11 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1lk0 s ILE 67 CO 0.54 0.06 0.16 -0.62 0.00 0.00 0.00 174.94 175.08 1lk0 s ASP 68 N 1.17 6.09 0.25 3.58 2.15 -1.26 -5.00 116.67 123.64 1lk0 s ASP 68 Ca 0.66 0.10 -0.04 0.00 0.43 0.00 0.00 52.55 53.69 1lk0 s ASP 68 Cb -0.38 -2.10 0.38 0.00 -0.30 0.00 0.00 42.92 40.51 1lk0 s ASP 68 CO 0.30 0.05 1.83 -1.13 -0.17 0.00 0.00 175.17 176.06 1lk0 h ASN 69 N 7.60 0.78 -0.28 -0.34 -1.24 -1.99 -0.85 115.58 119.25 1lk0 h ASN 69 Ca -0.38 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.62 1lk0 h ASN 69 Cb 1.17 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.09 1lk0 h ASN 69 CO 0.64 0.47 -0.01 0.44 -1.29 0.00 0.00 177.43 177.68 1lk0 h ASP 70 N 0.90 0.49 -0.50 1.15 5.19 -2.00 -2.05 116.42 119.60 1lk0 h ASP 70 Ca 0.40 -0.32 -0.13 0.00 -0.62 0.00 0.00 57.03 56.36 1lk0 h ASP 70 Cb 0.28 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1lk0 h ASP 70 CO -0.21 0.69 -0.19 0.40 -3.12 0.00 0.00 179.24 176.81 1lk0 h ILE 71 N 0.28 1.27 -0.51 0.35 2.04 -1.94 -3.20 117.51 115.81 1lk0 h ILE 71 Ca 0.08 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1lk0 h ILE 71 Cb 0.45 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1lk0 h ILE 71 CO 0.02 0.47 0.26 0.25 0.00 0.00 0.00 178.15 179.15 1lk0 h LEU 72 N 0.88 0.66 -1.60 1.44 5.85 -1.08 -2.44 115.31 119.02 1lk0 h LEU 72 Ca 0.12 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1lk0 h LEU 72 Cb 0.77 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1lk0 h LEU 72 CO 0.06 0.58 -0.18 0.11 -0.34 0.00 0.00 178.44 178.68 1lk0 h LYS 73 N 0.68 0.00 -0.38 1.25 6.56 -1.38 -2.81 116.57 120.49 1lk0 h LYS 73 Ca 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1lk0 h LYS 73 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1lk0 h LYS 73 CO -0.03 0.18 0.00 0.00 -2.06 0.00 0.00 179.45 177.54 1lk0 n GLN 74 N -3.58 2.48 -2.38 3.15 10.64 -1.16 -4.82 117.38 121.71 1lk0 n GLN 74 Ca -0.01 -2.09 -0.41 0.00 -1.83 0.00 0.00 57.00 52.66 1lk0 n GLN 74 Cb 0.32 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 28.31 1lk0 n GLN 74 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1lk0 s SER 75 N -1.06 7.09 0.08 2.61 0.01 -0.93 -4.70 113.70 116.81 1lk0 s SER 75 Ca 0.29 2.25 0.03 0.00 1.31 0.00 0.00 55.95 59.83 1lk0 s SER 75 Cb 0.16 -2.61 -0.24 0.00 0.21 0.00 0.00 66.02 63.54 1lk0 s SER 75 CO 0.21 -0.35 1.15 0.44 0.41 0.00 0.00 173.24 175.10 1lk0 h ASP 76 N 5.04 0.18 -3.25 2.44 3.32 -1.06 -3.38 116.42 119.71 1lk0 h ASP 76 Ca -0.45 -0.20 -0.19 0.00 0.02 0.00 0.00 57.03 56.21 1lk0 h ASP 76 Cb 1.21 -0.06 -0.30 0.00 0.22 0.00 0.00 39.33 40.41 1lk0 h ASP 76 CO 0.73 1.16 -0.47 -0.22 -1.72 0.00 0.00 179.24 178.73 1lk0 s LEU 77 N -6.84 0.23 -0.19 1.55 2.96 -0.94 -2.00 118.68 113.45 1lk0 s LEU 77 Ca -0.02 0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1lk0 s LEU 77 Cb 0.09 0.82 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 1lk0 s LEU 77 CO 0.84 -0.18 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.99 1lk0 s VAL 78 N 1.47 3.83 -0.21 1.68 1.01 0.13 -1.12 120.40 127.18 1lk0 s VAL 78 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1lk0 s VAL 78 Cb -0.10 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1lk0 s VAL 78 CO -0.09 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.64 1lk0 s VAL 79 N 0.92 2.56 -0.00 2.92 1.01 0.36 -1.31 120.40 126.86 1lk0 s VAL 79 Ca 0.01 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1lk0 s VAL 79 Cb -0.14 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 1lk0 s VAL 79 CO 0.02 0.39 0.54 0.42 0.00 0.00 0.00 175.10 176.46 1lk0 s THR 80 N 1.33 4.93 -0.29 3.92 -4.23 -0.50 -0.27 115.64 120.52 1lk0 s THR 80 Ca 0.03 1.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.70 1lk0 s THR 80 Cb -0.15 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 1lk0 s THR 80 CO -0.08 0.47 0.30 0.18 -0.54 0.00 0.00 174.62 174.94 1lk0 n LEU 81 N 2.46 0.51 -4.24 4.79 4.77 -0.56 -0.95 117.00 123.79 1lk0 n LEU 81 Ca -0.09 -0.64 -0.15 0.00 -0.03 0.00 0.00 56.01 55.11 1lk0 n LEU 81 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1lk0 n LEU 81 CO 0.42 0.12 -0.42 0.00 -1.33 0.00 0.00 177.39 176.18 1lk0 h SER 83 N 3.01 0.58 -0.02 0.00 0.02 -1.97 -2.93 113.55 112.25 1lk0 h SER 83 Ca -0.37 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1lk0 h SER 83 Cb 1.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1lk0 h SER 83 CO 0.60 0.21 -0.15 -0.90 -1.14 0.00 0.00 176.83 175.45 1lk0 n ASP 84 N -4.63 2.14 -0.28 3.07 5.68 -1.26 -4.63 116.55 116.63 1lk0 n ASP 84 Ca 0.22 -1.57 -0.03 0.00 -0.50 0.00 0.00 54.79 52.91 1lk0 n ASP 84 Cb 0.66 0.20 0.08 0.00 -1.14 0.00 0.00 41.12 40.92 1lk0 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lk0 h ALA 85 N 3.24 1.01 -0.47 2.12 0.00 -1.86 -3.00 119.26 120.30 1lk0 h ALA 85 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1lk0 h ALA 85 Cb 0.67 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1lk0 h ALA 85 CO 0.00 0.35 -0.02 0.22 0.00 0.00 0.00 179.25 179.80 1lk0 h ASP 86 N 1.01 0.77 0.57 0.00 3.58 -1.82 -2.70 116.42 117.83 1lk0 h ASP 86 Ca 0.30 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1lk0 h ASP 86 Cb -0.05 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.80 1lk0 h ASP 86 CO -0.09 0.85 -0.08 0.78 -2.88 0.00 0.00 179.24 177.82 1lk0 h ASN 87 N 0.74 0.00 -0.76 2.28 2.35 -1.83 -2.84 115.58 115.51 1lk0 h ASN 87 Ca 0.14 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.52 1lk0 h ASN 87 Cb 0.48 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.63 1lk0 h ASN 87 CO 0.02 0.08 0.38 0.59 -1.65 0.00 0.00 177.43 176.85 1lk0 n ASN 88 N -3.34 3.51 -4.37 5.81 3.02 -1.02 -4.95 115.26 113.93 1lk0 n ASN 88 Ca -0.01 -3.60 -0.30 0.00 -0.03 0.00 0.00 54.58 50.64 1lk0 n ASN 88 Cb 0.25 -0.76 -0.14 0.00 -0.61 0.00 0.00 39.78 38.52 1lk0 n ASN 88 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lk0 s LEU 89 N -3.24 2.25 0.98 3.41 1.43 -1.07 -4.86 118.68 117.58 1lk0 s LEU 89 Ca 0.53 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1lk0 s LEU 89 Cb 0.45 -1.32 0.22 0.00 0.03 0.00 0.00 46.19 45.58 1lk0 s LEU 89 CO 0.08 0.25 1.34 -2.16 0.23 0.00 0.00 176.35 176.09 1lk0 s PRO 90 N -1.34 0.41 -0.06 1.29 0.04 -1.26 -4.98 135.00 129.11 1lk0 s PRO 90 Ca 0.12 -0.59 -0.30 0.00 0.04 0.00 0.00 61.00 60.28 1lk0 s PRO 90 Cb -0.10 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1lk0 s PRO 90 CO 0.03 -2.54 1.41 0.42 0.04 0.00 0.00 177.00 176.36 1lk0 s ILE 91 N -3.91 3.86 -0.06 0.56 1.01 -1.26 -4.99 121.20 116.41 1lk0 s ILE 91 Ca 0.76 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 62.40 1lk0 s ILE 91 Cb -0.02 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1lk0 s ILE 91 CO 0.53 -0.05 0.46 -0.76 0.00 0.00 0.00 174.94 175.12 1lk0 s LEU 92 N 3.01 4.37 0.73 2.97 1.43 -1.26 -5.08 118.68 124.84 1lk0 s LEU 92 Ca 0.63 0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.49 1lk0 s LEU 92 Cb -0.29 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.30 1lk0 s LEU 92 CO 0.24 0.14 1.17 -2.16 0.23 0.00 0.00 176.35 175.97 1lk0 s PRO 93 N -0.15 2.25 0.62 1.29 0.04 -1.26 -4.90 135.00 132.89 1lk0 s PRO 93 Ca 0.25 1.61 0.26 0.00 0.04 0.00 0.00 61.00 63.16 1lk0 s PRO 93 Cb -0.16 -1.86 1.40 0.00 0.04 0.00 0.00 34.50 33.92 1lk0 s PRO 93 CO 0.12 -1.72 1.78 -1.00 0.04 0.00 0.00 177.00 176.22 1lk0 h PRO 94 N -0.36 0.00 0.00 0.56 0.13 -2.00 -1.39 132.00 128.94 1lk0 h PRO 94 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1lk0 h PRO 94 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1lk0 h PRO 94 CO 0.50 0.00 0.00 -2.95 -0.23 0.00 0.00 178.00 175.32 1lk0 h ASN 95 N 0.00 0.00 -3.56 1.44 -1.07 -1.94 -3.42 115.58 107.03 1lk0 h ASN 95 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.73 1lk0 h ASN 95 Cb 0.74 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.80 1lk0 h ASN 95 CO 0.00 0.00 -0.59 -0.69 0.07 0.00 0.00 177.43 176.22 1lk0 s VAL 96 N -3.27 4.61 0.18 6.14 1.01 -0.53 -4.68 120.40 123.86 1lk0 s VAL 96 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1lk0 s VAL 96 Cb 0.10 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 1lk0 s VAL 96 CO 0.52 0.37 0.46 -0.54 0.00 0.00 0.00 175.10 175.91 1lk0 s LYS 97 N 1.19 3.73 -0.04 2.72 -0.14 -0.84 -4.79 119.74 121.57 1lk0 s LYS 97 Ca 0.05 0.13 0.02 0.00 -1.36 0.00 0.00 55.97 54.80 1lk0 s LYS 97 Cb -0.14 -2.77 0.01 0.00 -1.68 0.00 0.00 37.83 33.25 1lk0 s LYS 97 CO 0.04 0.41 -0.07 0.21 -0.76 0.00 0.00 175.35 175.17 1lk0 s LYS 98 N -2.63 0.98 0.06 1.68 2.20 -1.26 -0.70 119.74 120.07 1lk0 s LYS 98 Ca 0.43 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.84 1lk0 s LYS 98 Cb -0.12 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.26 1lk0 s LYS 98 CO 0.22 0.01 -0.07 -1.21 -0.36 0.00 0.00 175.35 173.95 1lk0 s GLU 99 N 0.56 0.65 -0.21 4.03 2.02 -0.42 -4.97 118.70 120.35 1lk0 s GLU 99 Ca -0.09 -1.00 -0.01 0.00 0.02 0.00 0.00 54.97 53.89 1lk0 s GLU 99 Cb -0.12 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.90 1lk0 s GLU 99 CO 0.01 0.01 -0.11 -1.58 0.02 0.00 0.00 175.26 173.61 1lk0 s HIS 100 N -2.38 2.92 -0.50 1.61 5.65 -1.26 -1.40 115.29 119.93 1lk0 s HIS 100 Ca -0.01 -1.42 0.02 0.00 0.25 0.00 0.00 55.06 53.90 1lk0 s HIS 100 Cb -0.03 -2.01 0.13 0.00 -1.18 0.00 0.00 32.58 29.49 1lk0 s HIS 100 CO -0.02 -0.71 0.26 -1.58 -0.65 0.00 0.00 174.74 172.04 1lk0 s TRP 101 N 1.35 3.37 0.07 3.88 0.51 -0.12 -4.96 118.94 123.04 1lk0 s TRP 101 Ca 0.04 -2.99 -0.30 0.00 -2.12 0.00 0.00 56.10 50.72 1lk0 s TRP 101 Cb -0.14 -2.95 -0.05 0.00 -0.81 0.00 0.00 33.47 29.51 1lk0 s TRP 101 CO -0.08 -0.82 1.13 0.20 -0.51 0.00 0.00 176.95 176.88 1lk0 s GLY 102 N 0.30 2.60 0.06 0.98 0.00 -1.26 -4.16 107.32 105.84 1lk0 s GLY 102 Ca 0.15 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.69 1lk0 s GLY 102 CO -0.03 1.89 -0.14 -1.36 0.00 0.00 0.00 173.10 173.46 1lk0 s PHE 103 N 0.81 1.24 0.55 1.90 0.40 -1.00 -5.05 117.98 116.83 1lk0 s PHE 103 Ca 0.55 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.28 1lk0 s PHE 103 Cb -0.28 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.49 1lk0 s PHE 103 CO 0.30 0.05 1.16 -0.51 0.70 0.00 0.00 175.22 176.92 1lk0 s ASP 104 N -1.48 5.57 -0.32 1.36 1.01 -1.26 -4.78 116.67 116.77 1lk0 s ASP 104 Ca -0.00 2.26 -0.28 0.00 0.71 0.00 0.00 52.55 55.24 1lk0 s ASP 104 Cb -0.09 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.26 1lk0 s ASP 104 CO 0.02 -1.32 1.01 -0.62 0.21 0.00 0.00 175.17 174.47 1lk0 s ASP 105 N -1.68 6.87 0.00 0.27 -1.08 -1.26 -4.93 116.67 114.86 1lk0 s ASP 105 Ca 0.74 0.95 0.28 0.00 -0.52 0.00 0.00 52.55 54.01 1lk0 s ASP 105 Cb -0.26 -2.51 1.27 0.00 -1.46 0.00 0.00 42.92 39.96 1lk0 s ASP 105 CO 0.30 -0.83 1.87 -0.81 0.52 0.00 0.00 175.17 176.22 1lk0 n PRO 106 N 6.73 1.46 -1.67 4.34 -0.04 -1.26 -4.87 135.00 139.69 1lk0 n PRO 106 Ca 0.10 -0.67 -0.44 0.00 -0.04 0.00 0.00 63.50 62.45 1lk0 n PRO 106 Cb 0.47 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1lk0 n PRO 106 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lk0 n ALA 107 N -0.17 1.44 -1.05 0.55 0.00 -1.26 -1.79 120.51 118.22 1lk0 n ALA 107 Ca 0.20 0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 1lk0 n ALA 107 Cb 0.28 -2.64 -0.01 0.00 0.00 0.00 0.00 19.45 17.08 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 4.51 0.50 3.57 0.00 0.00 -1.26 -5.02 105.19 107.48 1lk0 n GLY 108 Ca 0.21 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1lk0 n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lk0 n LYS 109 N -2.07 0.69 -0.94 1.61 5.02 -0.74 -5.11 118.16 116.62 1lk0 n LYS 109 Ca -0.02 -3.03 -0.33 0.00 -2.02 0.00 0.00 58.31 52.91 1lk0 n LYS 109 Cb 0.17 0.05 0.14 0.00 -0.02 0.00 0.00 35.03 35.37 1lk0 n LYS 109 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1lk0 n GLU 110 N -1.94 -0.06 0.19 1.97 1.02 -1.26 -4.90 120.64 115.66 1lk0 n GLU 110 Ca 0.07 0.06 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 1lk0 n GLU 110 Cb 0.57 -2.37 0.39 0.00 -0.02 0.00 0.00 31.44 30.01 1lk0 n GLU 110 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1lk0 h TRP 111 N -1.27 0.00 0.00 -0.32 2.91 -1.99 -2.31 115.95 112.97 1lk0 h TRP 111 Ca -0.45 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.55 1lk0 h TRP 111 Cb 1.29 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.94 1lk0 h TRP 111 CO 0.47 0.36 -0.07 0.66 -1.03 0.00 0.00 178.44 178.82 1lk0 h SER 112 N 0.00 0.00 0.59 2.65 4.64 -1.99 -2.02 113.55 117.42 1lk0 h SER 112 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 1lk0 h SER 112 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1lk0 h SER 112 CO 0.05 0.07 -1.32 -0.33 -0.87 0.00 0.00 176.83 174.43 1lk0 h GLU 113 N 0.00 0.27 -0.61 4.77 4.39 -1.77 -1.70 114.58 119.92 1lk0 h GLU 113 Ca -0.00 -0.46 -0.10 0.00 0.34 0.00 0.00 59.36 59.15 1lk0 h GLU 113 Cb 0.43 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1lk0 h GLU 113 CO 0.01 1.19 0.01 0.74 -1.16 0.00 0.00 179.01 179.80 1lk0 h PHE 114 N 0.07 1.17 -0.37 4.33 -1.00 -1.34 -1.38 116.94 118.42 1lk0 h PHE 114 Ca -0.16 -0.20 -0.12 0.00 2.81 0.00 0.00 57.97 60.30 1lk0 h PHE 114 Cb 1.99 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 41.23 1lk0 h PHE 114 CO 0.06 1.03 -0.22 1.96 -1.61 0.00 0.00 178.31 179.53 1lk0 h GLN 115 N 0.98 0.81 0.11 1.51 4.20 -1.44 -1.55 115.11 119.73 1lk0 h GLN 115 Ca 0.17 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1lk0 h GLN 115 Cb 0.55 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1lk0 h GLN 115 CO 0.03 1.00 -0.05 -0.09 -0.67 0.00 0.00 178.83 179.05 1lk0 h ARG 116 N 0.60 -0.14 -0.77 1.46 2.43 -1.15 -1.31 114.38 115.51 1lk0 h ARG 116 Ca 0.08 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1lk0 h ARG 116 Cb 0.78 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1lk0 h ARG 116 CO 0.06 0.04 0.40 0.28 -1.51 0.00 0.00 179.97 179.24 1lk0 h VAL 117 N -0.30 1.24 -0.46 0.20 2.07 -1.27 0.11 116.25 117.83 1lk0 h VAL 117 Ca -0.01 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1lk0 h VAL 117 Cb 0.24 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1lk0 h VAL 117 CO 0.02 0.27 0.29 -0.09 0.02 0.00 0.00 177.57 178.08 1lk0 h ARG 118 N 1.07 0.56 -0.02 1.57 2.43 -1.16 -1.24 114.38 117.59 1lk0 h ARG 118 Ca 0.27 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1lk0 h ARG 118 Cb 0.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1lk0 h ARG 118 CO -0.04 0.37 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.75 1lk0 h ASP 119 N 0.58 0.07 -0.27 -3.80 3.32 -0.84 -2.09 116.42 113.40 1lk0 h ASP 119 Ca 0.18 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1lk0 h ASP 119 Cb -0.01 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1lk0 h ASP 119 CO -0.07 0.65 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.40 1lk0 h GLU 120 N 0.05 0.81 -0.67 3.56 5.08 -0.61 -1.89 114.58 120.91 1lk0 h GLU 120 Ca -0.01 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 1lk0 h GLU 120 Cb 1.07 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1lk0 h GLU 120 CO 0.08 1.05 0.09 0.82 -1.00 0.00 0.00 179.01 180.05 1lk0 h ILE 121 N 0.67 1.26 -0.13 3.13 2.04 -1.05 -1.49 117.51 121.94 1lk0 h ILE 121 Ca 0.06 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1lk0 h ILE 121 Cb 0.94 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1lk0 h ILE 121 CO 0.09 0.40 0.08 0.50 0.00 0.00 0.00 178.15 179.22 1lk0 h LYS 122 N 1.04 0.17 -0.68 2.37 3.64 -1.17 -1.77 116.57 120.16 1lk0 h LYS 122 Ca 0.20 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1lk0 h LYS 122 Cb 0.46 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1lk0 h LYS 122 CO 0.02 0.11 0.44 1.25 -2.27 0.00 0.00 179.45 178.99 1lk0 h LEU 123 N 0.17 0.73 -0.91 5.20 6.46 -1.12 -0.60 115.31 125.24 1lk0 h LEU 123 Ca 0.05 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1lk0 h LEU 123 Cb -0.01 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.72 1lk0 h LEU 123 CO -0.02 0.52 0.12 0.00 -0.62 0.00 0.00 178.44 178.44 1lk0 h ALA 124 N 1.28 1.11 -0.05 1.25 0.00 -1.02 -0.42 119.26 121.40 1lk0 h ALA 124 Ca 0.27 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1lk0 h ALA 124 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1lk0 h ALA 124 CO -0.09 0.59 -0.76 0.82 0.00 0.00 0.00 179.25 179.81 1lk0 h ILE 125 N 0.87 1.41 -0.41 0.00 2.04 -0.89 -1.35 117.51 119.18 1lk0 h ILE 125 Ca 0.18 -2.25 -0.11 0.00 1.00 0.00 0.00 64.86 63.69 1lk0 h ILE 125 Cb 0.35 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1lk0 h ILE 125 CO 0.00 0.67 -0.17 -0.33 0.00 0.00 0.00 178.15 178.33 1lk0 h GLU 126 N 0.22 0.83 -0.54 2.37 5.08 -0.72 -1.59 114.58 120.23 1lk0 h GLU 126 Ca -0.04 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1lk0 h GLU 126 Cb 1.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1lk0 h GLU 126 CO 0.13 0.99 0.07 -0.22 -1.00 0.00 0.00 179.01 178.97 1lk0 h LYS 127 N 0.65 0.87 -0.41 2.33 3.64 -1.01 -2.71 116.57 119.93 1lk0 h LYS 127 Ca 0.09 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1lk0 h LYS 127 Cb 0.72 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1lk0 h LYS 127 CO 0.05 0.82 0.14 0.35 -2.27 0.00 0.00 179.45 178.54 1lk0 h PHE 128 N 0.82 0.65 -0.74 1.91 3.57 -0.99 -2.91 116.94 119.24 1lk0 h PHE 128 Ca 0.17 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1lk0 h PHE 128 Cb 0.39 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1lk0 h PHE 128 CO 0.02 0.59 0.49 -0.22 -2.23 0.00 0.00 178.31 176.96 1lk0 h LYS 129 N 0.51 0.80 -0.66 1.11 3.64 -0.99 -2.65 116.57 118.34 1lk0 h LYS 129 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1lk0 h LYS 129 Cb 0.24 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1lk0 h LYS 129 CO -0.01 0.53 0.00 1.28 -2.27 0.00 0.00 179.45 178.98 1lk0 n LEU 130 N -4.47 3.29 0.00 5.20 4.77 -1.08 -5.12 117.00 119.59 1lk0 n LEU 130 Ca 0.10 -1.66 0.05 0.00 -0.03 0.00 0.00 56.01 54.47 1lk0 n LEU 130 Cb 0.18 -0.51 0.30 0.00 -2.33 0.00 0.00 43.42 41.06 1lk0 n LEU 130 CO 0.34 0.50 0.52 0.54 -1.33 0.00 0.00 177.39 177.96