#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lk5 s ASN 2 N 0.00 4.51 0.15 3.17 2.20 -1.26 -4.83 114.94 118.87 1lk5 s ASN 2 Ca 0.00 -1.28 -0.22 0.00 -0.94 0.00 0.00 52.86 50.42 1lk5 s ASN 2 Cb 0.00 0.24 0.04 0.00 -2.00 0.00 0.00 41.25 39.53 1lk5 s ASN 2 CO 0.00 -0.93 1.63 0.58 -2.94 0.00 0.00 177.10 175.44 1lk5 h VAL 3 N 1.01 0.42 -0.42 3.54 2.07 -2.00 0.16 116.25 121.03 1lk5 h VAL 3 Ca -0.40 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1lk5 h VAL 3 Cb 1.29 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1lk5 h VAL 3 CO 0.63 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.81 1lk5 h GLU 4 N -0.22 0.73 -0.55 1.57 4.39 -1.99 -0.47 114.58 118.05 1lk5 h GLU 4 Ca 0.14 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1lk5 h GLU 4 Cb 0.44 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1lk5 h GLU 4 CO -0.39 0.80 0.34 0.93 -1.16 0.00 0.00 179.01 179.53 1lk5 h GLU 5 N 0.67 0.74 -0.58 2.33 5.08 -1.65 -0.96 114.58 120.21 1lk5 h GLU 5 Ca 0.12 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1lk5 h GLU 5 Cb 0.53 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1lk5 h GLU 5 CO 0.03 0.52 0.36 0.52 -1.00 0.00 0.00 179.01 179.45 1lk5 h MET 6 N 0.74 0.70 -0.69 2.33 2.86 0.06 -2.00 114.93 118.92 1lk5 h MET 6 Ca 0.20 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1lk5 h MET 6 Cb -0.03 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1lk5 h MET 6 CO -0.04 0.46 0.42 0.87 1.06 0.00 0.00 176.91 179.68 1lk5 h LYS 7 N 0.72 0.94 -0.65 1.72 1.57 -0.74 -2.82 116.57 117.30 1lk5 h LYS 7 Ca 0.23 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1lk5 h LYS 7 Cb -0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1lk5 h LYS 7 CO -0.09 0.66 0.20 0.87 -0.57 0.00 0.00 179.45 180.52 1lk5 h LYS 8 N 0.94 1.02 -0.19 3.15 1.57 -0.81 -1.96 116.57 120.28 1lk5 h LYS 8 Ca 0.25 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1lk5 h LYS 8 Cb -0.03 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1lk5 h LYS 8 CO -0.05 0.90 -0.32 0.97 -0.57 0.00 0.00 179.45 180.38 1lk5 h ILE 9 N 0.95 1.28 -0.43 1.86 2.10 -1.28 0.05 117.51 122.04 1lk5 h ILE 9 Ca 0.21 -1.38 -0.14 0.00 1.08 0.00 0.00 64.86 64.64 1lk5 h ILE 9 Cb 0.31 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1lk5 h ILE 9 CO -0.01 0.43 -0.26 0.00 -1.08 0.00 0.00 178.15 177.23 1lk5 h ALA 10 N 1.32 0.61 -0.60 0.18 0.00 -1.35 -2.31 119.26 117.11 1lk5 h ALA 10 Ca 0.04 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1lk5 h ALA 10 Cb 0.74 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1lk5 h ALA 10 CO 0.06 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.05 1lk5 h ALA 11 N 0.82 1.07 -0.42 0.00 0.00 -0.94 -2.21 119.26 117.58 1lk5 h ALA 11 Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1lk5 h ALA 11 Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1lk5 h ALA 11 CO 0.07 0.61 -0.22 -0.22 0.00 0.00 0.00 179.25 179.49 1lk5 h LYS 12 N 0.91 0.89 -0.71 0.00 3.64 -0.93 -2.91 116.57 117.46 1lk5 h LYS 12 Ca 0.19 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1lk5 h LYS 12 Cb 0.37 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1lk5 h LYS 12 CO 0.01 1.05 0.42 1.49 -2.27 0.00 0.00 179.45 180.14 1lk5 h GLU 13 N 0.72 0.97 -0.23 1.90 4.57 -1.21 -2.49 114.58 118.80 1lk5 h GLU 13 Ca 0.09 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1lk5 h GLU 13 Cb 0.79 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1lk5 h GLU 13 CO 0.07 0.69 0.16 0.00 -1.18 0.00 0.00 179.01 178.75 1lk5 h ALA 14 N 1.48 2.22 -0.06 2.92 0.00 -1.19 -1.02 119.26 123.59 1lk5 h ALA 14 Ca 0.25 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1lk5 h ALA 14 Cb -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1lk5 h ALA 14 CO -0.05 -0.28 0.15 -0.07 0.00 0.00 0.00 179.25 179.00 1lk5 h LEU 15 N 0.00 0.00 -2.21 0.00 3.38 -1.47 -1.80 115.31 113.20 1lk5 h LEU 15 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1lk5 h LEU 15 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1lk5 h LEU 15 CO -0.00 0.00 -0.05 0.11 0.09 0.00 0.00 178.44 178.59 1lk5 h LYS 16 N 0.00 0.00 -0.01 1.13 1.57 -1.35 -2.48 116.57 115.43 1lk5 h LYS 16 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1lk5 h LYS 16 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1lk5 h LYS 16 CO -0.00 0.05 -0.36 1.19 -0.57 0.00 0.00 179.45 179.77 1lk5 n PHE 17 N -3.45 0.00 -3.45 -1.35 3.01 -0.68 -4.88 117.46 106.66 1lk5 n PHE 17 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.06 1lk5 n PHE 17 Cb 0.18 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.50 1lk5 n PHE 17 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1lk5 s ILE 18 N -2.48 5.22 0.29 4.37 -1.09 -0.93 -5.01 121.20 121.57 1lk5 s ILE 18 Ca 0.22 0.51 0.11 0.00 -2.23 0.00 0.00 60.65 59.26 1lk5 s ILE 18 Cb 0.19 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1lk5 s ILE 18 CO 0.54 0.22 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.68 1lk5 s GLU 19 N 1.66 1.69 0.51 2.79 2.02 -1.26 -5.04 118.70 121.07 1lk5 s GLU 19 Ca 0.14 -1.79 -0.20 0.00 0.02 0.00 0.00 54.97 53.14 1lk5 s GLU 19 Cb -0.15 -1.74 -0.10 0.00 0.10 0.00 0.00 34.13 32.24 1lk5 s GLU 19 CO 0.09 0.30 0.64 -0.25 0.02 0.00 0.00 175.26 176.05 1lk5 n ASP 20 N -0.64 -0.51 -0.01 -0.19 8.00 -1.26 -2.99 116.55 118.95 1lk5 n ASP 20 Ca -0.05 0.84 -0.00 0.00 0.71 0.00 0.00 54.79 56.28 1lk5 n ASP 20 Cb 0.61 -1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1lk5 n ASP 20 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lk5 n ASP 21 N 0.63 -3.92 -4.88 -2.24 8.00 -0.46 -5.00 116.55 108.68 1lk5 n ASP 21 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 1lk5 n ASP 21 Cb 0.44 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.07 1lk5 n ASP 21 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1lk5 s MET 22 N -0.65 3.76 -0.23 -1.24 -1.94 -1.16 -4.92 119.30 112.92 1lk5 s MET 22 Ca 0.00 0.33 -0.07 0.00 -1.71 0.00 0.00 55.69 54.24 1lk5 s MET 22 Cb 0.00 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1lk5 s MET 22 CO 0.00 0.09 0.06 0.08 -0.01 0.00 0.00 175.02 175.24 1lk5 s VAL 23 N -2.20 4.41 -0.16 -6.03 1.01 -1.26 -2.26 120.40 113.91 1lk5 s VAL 23 Ca 0.49 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1lk5 s VAL 23 Cb -0.10 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1lk5 s VAL 23 CO 0.29 0.38 -0.19 -0.63 0.00 0.00 0.00 175.10 174.95 1lk5 s ILE 24 N 1.24 2.31 -0.02 2.22 1.01 0.12 -1.27 121.20 126.80 1lk5 s ILE 24 Ca 0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1lk5 s ILE 24 Cb -0.14 -1.96 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 1lk5 s ILE 24 CO 0.03 0.53 1.51 -0.83 0.00 0.00 0.00 174.94 176.19 1lk5 s GLY 25 N 0.96 1.68 -0.41 6.18 0.00 0.59 -0.79 107.32 115.53 1lk5 s GLY 25 Ca -0.03 0.91 -0.15 0.00 0.00 0.00 0.00 44.72 45.45 1lk5 s GLY 25 CO -0.04 2.75 0.29 1.08 0.00 0.00 0.00 173.10 177.18 1lk5 s LEU 26 N 3.09 5.09 1.14 0.66 1.43 -0.06 -1.42 118.68 128.61 1lk5 s LEU 26 Ca 0.68 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 52.69 1lk5 s LEU 26 Cb -0.32 -2.15 0.26 0.00 0.03 0.00 0.00 46.19 44.01 1lk5 s LEU 26 CO 0.27 -0.45 1.07 -0.83 0.23 0.00 0.00 176.35 176.65 1lk5 s GLY 27 N 1.69 1.55 0.06 -3.19 0.00 0.85 -1.17 107.32 107.12 1lk5 s GLY 27 Ca 0.05 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.22 1lk5 s GLY 27 CO 0.10 0.17 -0.11 -1.59 0.00 0.00 0.00 173.10 171.66 1lk5 s THR 28 N -2.85 3.27 0.00 0.90 2.01 -1.26 -4.63 115.64 113.07 1lk5 s THR 28 Ca 0.68 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1lk5 s THR 28 Cb -0.16 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1lk5 s THR 28 CO 0.58 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 1lk5 n GLY 29 N 1.17 1.27 0.18 4.40 0.00 -1.26 -4.26 105.19 106.69 1lk5 n GLY 29 Ca -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.71 1lk5 n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1lk5 h SER 30 N 0.00 0.29 -0.08 1.61 4.64 -1.98 -0.92 113.55 117.11 1lk5 h SER 30 Ca 0.00 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1lk5 h SER 30 Cb 0.00 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1lk5 h SER 30 CO 0.00 0.78 -0.05 0.74 -0.87 0.00 0.00 176.83 177.43 1lk5 h THR 31 N 0.20 1.33 0.00 2.95 2.02 -1.92 -2.96 112.91 114.54 1lk5 h THR 31 Ca 0.00 -1.10 -0.07 0.00 0.77 0.00 0.00 66.41 66.02 1lk5 h THR 31 Cb 1.02 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1lk5 h THR 31 CO 0.09 0.31 -0.33 0.74 0.37 0.00 0.00 175.52 176.70 1lk5 h THR 32 N -0.21 1.00 -0.75 3.16 2.02 -1.82 -2.68 112.91 113.62 1lk5 h THR 32 Ca 0.02 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.04 1lk5 h THR 32 Cb 0.51 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1lk5 h THR 32 CO 0.01 0.32 0.49 0.00 0.37 0.00 0.00 175.52 176.71 1lk5 h ALA 33 N 1.67 1.66 -0.62 6.16 0.00 -1.00 0.99 119.26 128.12 1lk5 h ALA 33 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1lk5 h ALA 33 Cb 0.68 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1lk5 h ALA 33 CO 0.04 0.23 0.16 1.88 0.00 0.00 0.00 179.25 181.56 1lk5 h TYR 34 N 0.81 1.03 -0.63 0.00 0.99 -1.37 -2.05 116.97 115.75 1lk5 h TYR 34 Ca 0.32 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.91 1lk5 h TYR 34 Cb 0.22 -0.29 -0.03 0.00 1.00 0.00 0.00 36.73 37.63 1lk5 h TYR 34 CO -0.00 0.86 0.32 0.35 -0.00 0.00 0.00 178.16 179.69 1lk5 h PHE 35 N 0.90 0.89 -0.66 4.88 3.57 -0.88 -0.59 116.94 125.04 1lk5 h PHE 35 Ca 0.20 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1lk5 h PHE 35 Cb 0.34 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1lk5 h PHE 35 CO 0.02 0.66 0.14 0.82 -2.23 0.00 0.00 178.31 177.72 1lk5 h ILE 36 N 0.86 1.26 -0.01 1.41 2.04 -0.83 0.13 117.51 122.37 1lk5 h ILE 36 Ca 0.22 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1lk5 h ILE 36 Cb 0.09 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1lk5 h ILE 36 CO -0.03 0.37 0.00 0.11 0.00 0.00 0.00 178.15 178.60 1lk5 h LYS 37 N 0.99 0.02 -0.75 2.37 1.57 -1.13 -1.02 116.57 118.63 1lk5 h LYS 37 Ca 0.20 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1lk5 h LYS 37 Cb 0.39 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1lk5 h LYS 37 CO 0.01 0.21 0.49 -0.07 -0.57 0.00 0.00 179.45 179.52 1lk5 h LEU 38 N -0.17 0.79 -0.22 2.94 3.38 -0.86 -0.74 115.31 120.43 1lk5 h LEU 38 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1lk5 h LEU 38 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1lk5 h LEU 38 CO -0.00 0.54 -0.05 0.25 0.09 0.00 0.00 178.44 179.27 1lk5 h LEU 39 N 0.91 0.42 -1.26 1.67 5.85 -0.59 -1.59 115.31 120.72 1lk5 h LEU 39 Ca 0.30 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1lk5 h LEU 39 Cb 0.05 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1lk5 h LEU 39 CO -0.08 0.68 0.42 1.23 -0.34 0.00 0.00 178.44 180.35 1lk5 h GLY 40 N 0.15 0.99 1.10 3.75 0.00 -0.58 -1.17 103.07 107.29 1lk5 h GLY 40 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1lk5 h GLY 40 CO 0.02 0.38 -0.26 0.83 0.00 0.00 0.00 176.54 177.52 1lk5 h GLU 41 N 0.94 0.95 -0.26 4.80 5.08 -0.99 -1.46 114.58 123.65 1lk5 h GLU 41 Ca 0.25 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1lk5 h GLU 41 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1lk5 h GLU 41 CO -0.05 1.10 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.63 1lk5 h LYS 42 N 0.79 0.47 -0.36 2.33 3.64 -0.72 -2.05 116.57 120.68 1lk5 h LYS 42 Ca 0.09 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1lk5 h LYS 42 Cb 0.84 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1lk5 h LYS 42 CO 0.07 0.66 -0.07 1.25 -2.27 0.00 0.00 179.45 179.10 1lk5 h LEU 43 N 0.42 0.68 -1.27 5.20 5.85 -1.07 -1.47 115.31 123.65 1lk5 h LEU 43 Ca 0.07 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1lk5 h LEU 43 Cb 0.61 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1lk5 h LEU 43 CO 0.04 0.87 0.14 0.50 -0.34 0.00 0.00 178.44 179.65 1lk5 h LYS 44 N 0.47 0.64 0.00 1.25 3.64 -0.94 -1.60 116.57 120.03 1lk5 h LYS 44 Ca 0.09 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1lk5 h LYS 44 Cb 0.57 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1lk5 h LYS 44 CO 0.03 0.56 0.00 0.54 -2.27 0.00 0.00 179.45 178.31 1lk5 n ARG 45 N -4.34 0.06 -0.86 1.90 1.74 -0.80 -4.91 116.66 109.44 1lk5 n ARG 45 Ca 0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1lk5 n ARG 45 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1lk5 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lk5 n GLY 46 N 1.43 0.54 0.02 -0.13 0.00 -0.60 -4.92 105.19 101.53 1lk5 n GLY 46 Ca 0.08 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1lk5 n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lk5 n GLU 47 N -2.86 0.04 -3.83 1.61 1.02 -0.58 -4.77 120.64 111.26 1lk5 n GLU 47 Ca 0.00 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 1lk5 n GLU 47 Cb 0.00 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.79 1lk5 n GLU 47 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1lk5 s ILE 48 N -3.02 0.10 0.07 -3.67 2.07 -1.22 -5.00 121.20 110.53 1lk5 s ILE 48 Ca 0.12 -0.84 -0.09 0.00 -1.41 0.00 0.00 60.65 58.43 1lk5 s ILE 48 Cb 0.16 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.88 1lk5 s ILE 48 CO 0.50 -0.47 0.19 -0.94 -1.91 0.00 0.00 174.94 172.31 1lk5 s SER 49 N -2.02 0.09 -1.26 4.50 1.04 -1.26 -4.58 113.70 110.20 1lk5 s SER 49 Ca -0.06 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 55.80 1lk5 s SER 49 Cb -0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1lk5 s SER 49 CO -0.03 -0.66 1.03 0.47 0.98 0.00 0.00 173.24 175.03 1lk5 n ASP 50 N 0.24 -3.21 -4.82 7.02 8.00 -1.26 -1.35 116.55 121.16 1lk5 n ASP 50 Ca -0.17 -0.62 -0.33 0.00 0.71 0.00 0.00 54.79 54.39 1lk5 n ASP 50 Cb 0.61 -5.00 -0.06 0.00 -0.02 0.00 0.00 41.12 36.65 1lk5 n ASP 50 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lk5 s ILE 51 N -3.37 4.91 -0.02 0.53 -1.09 -1.26 -2.49 121.20 118.41 1lk5 s ILE 51 Ca 0.17 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 1lk5 s ILE 51 Cb -0.08 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.54 1lk5 s ILE 51 CO 0.74 0.30 -0.01 -0.69 -1.23 0.00 0.00 174.94 174.05 1lk5 s VAL 52 N -1.27 0.20 -0.03 2.92 1.01 -0.96 -4.43 120.40 117.84 1lk5 s VAL 52 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1lk5 s VAL 52 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 1lk5 s VAL 52 CO 0.17 0.13 0.11 -0.83 0.00 0.00 0.00 175.10 174.67 1lk5 s GLY 53 N 0.73 2.06 -0.34 4.51 0.00 0.39 -0.71 107.32 113.97 1lk5 s GLY 53 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1lk5 s GLY 53 CO -0.01 -0.65 0.05 0.14 0.00 0.00 0.00 173.10 172.63 1lk5 s VAL 54 N -1.17 2.50 0.36 1.40 1.01 0.03 -1.05 120.40 123.49 1lk5 s VAL 54 Ca 0.22 -2.10 -0.27 0.00 0.00 0.00 0.00 61.98 59.83 1lk5 s VAL 54 Cb -0.12 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 1lk5 s VAL 54 CO 0.12 -0.48 1.18 -2.16 0.00 0.00 0.00 175.10 173.77 1lk5 s PRO 55 N 1.01 4.25 0.00 2.72 0.05 -1.26 -0.88 135.00 140.88 1lk5 s PRO 55 Ca 0.06 1.91 0.24 0.00 0.05 0.00 0.00 61.00 63.25 1lk5 s PRO 55 Cb -0.20 -2.87 0.58 0.00 0.05 0.00 0.00 34.50 32.07 1lk5 s PRO 55 CO -0.06 -0.17 1.48 0.25 0.05 0.00 0.00 177.00 178.54 1lk5 n THR 56 N 0.47 0.21 -3.67 1.26 -2.24 -0.31 -4.87 114.28 105.12 1lk5 n THR 56 Ca 0.02 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.28 1lk5 n THR 56 Cb 0.45 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 1lk5 n THR 56 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1lk5 s SER 57 N -1.72 -0.21 0.30 3.42 1.04 -1.26 -4.14 113.70 111.12 1lk5 s SER 57 Ca 0.34 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 1lk5 s SER 57 Cb 0.20 0.41 0.46 0.00 0.10 0.00 0.00 66.02 67.19 1lk5 s SER 57 CO 0.30 -0.73 1.90 1.88 0.98 0.00 0.00 173.24 177.56 1lk5 h TYR 58 N 2.00 0.87 -0.19 5.02 0.99 -1.99 -1.20 116.97 122.48 1lk5 h TYR 58 Ca -0.24 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.47 1lk5 h TYR 58 Cb 1.23 -0.27 -0.02 0.00 1.00 0.00 0.00 36.73 38.67 1lk5 h TYR 58 CO 0.34 0.66 0.08 0.37 -0.00 0.00 0.00 178.16 179.61 1lk5 h GLN 59 N 0.87 0.18 -0.55 4.88 -0.00 -1.98 0.53 115.11 119.03 1lk5 h GLN 59 Ca 0.21 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.82 1lk5 h GLN 59 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.54 1lk5 h GLN 59 CO -0.02 0.12 0.22 0.00 0.00 0.00 0.00 178.83 179.15 1lk5 h ALA 60 N 1.10 0.72 0.10 3.38 0.00 -1.77 -1.72 119.26 121.07 1lk5 h ALA 60 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1lk5 h ALA 60 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1lk5 h ALA 60 CO -0.06 0.33 -0.05 -0.22 0.00 0.00 0.00 179.25 179.25 1lk5 h LYS 61 N 0.76 -0.13 -0.83 0.00 3.64 -0.79 -0.48 116.57 118.74 1lk5 h LYS 61 Ca 0.18 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1lk5 h LYS 61 Cb 0.20 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1lk5 h LYS 61 CO -0.02 -0.08 0.42 -0.07 -2.27 0.00 0.00 179.45 177.44 1lk5 h LEU 62 N -0.15 1.05 -0.46 5.20 3.38 -0.82 -1.07 115.31 122.44 1lk5 h LEU 62 Ca -0.01 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1lk5 h LEU 62 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1lk5 h LEU 62 CO 0.02 0.87 0.05 0.25 0.09 0.00 0.00 178.44 179.73 1lk5 h LEU 63 N 1.17 0.75 -1.02 1.67 5.85 -1.07 -1.18 115.31 121.48 1lk5 h LEU 63 Ca 0.29 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1lk5 h LEU 63 Cb 0.08 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1lk5 h LEU 63 CO -0.04 0.84 0.23 0.00 -0.34 0.00 0.00 178.44 179.13 1lk5 h ALA 64 N 0.94 1.22 -0.48 1.25 0.00 -0.58 -2.13 119.26 119.48 1lk5 h ALA 64 Ca 0.14 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1lk5 h ALA 64 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1lk5 h ALA 64 CO 0.01 0.56 0.09 0.82 0.00 0.00 0.00 179.25 180.73 1lk5 h ILE 65 N 0.91 1.25 0.00 0.00 2.04 -0.96 0.29 117.51 121.04 1lk5 h ILE 65 Ca 0.21 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1lk5 h ILE 65 Cb 0.21 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1lk5 h ILE 65 CO -0.02 0.32 -0.08 -0.33 0.00 0.00 0.00 178.15 178.05 1lk5 h GLU 66 N 0.67 0.00 -0.51 2.37 5.08 -0.77 -1.92 114.58 119.50 1lk5 h GLU 66 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1lk5 h GLU 66 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1lk5 h GLU 66 CO 0.01 0.08 0.00 0.72 -1.00 0.00 0.00 179.01 178.82 1lk5 n HIS 67 N -4.34 1.66 -3.05 4.33 8.25 -0.84 -4.97 115.22 116.26 1lk5 n HIS 67 Ca -0.03 -0.74 -0.21 0.00 -0.26 0.00 0.00 57.72 56.49 1lk5 n HIS 67 Cb 0.16 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 30.87 1lk5 n HIS 67 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1lk5 n ASP 68 N 0.44 -4.57 -4.67 0.41 8.00 -0.72 -4.70 116.55 110.73 1lk5 n ASP 68 Ca 0.26 -0.24 -0.40 0.00 0.71 0.00 0.00 54.79 55.12 1lk5 n ASP 68 Cb 1.05 -3.77 -0.06 0.00 -0.02 0.00 0.00 41.12 38.33 1lk5 n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lk5 s ILE 69 N -2.95 5.06 0.40 0.53 1.01 0.03 -5.02 121.20 120.25 1lk5 s ILE 69 Ca 0.28 1.12 -0.26 0.00 0.00 0.00 0.00 60.65 61.78 1lk5 s ILE 69 Cb -0.14 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.32 1lk5 s ILE 69 CO 0.35 0.15 1.34 -2.65 0.00 0.00 0.00 174.94 174.14 1lk5 n PRO 70 N 4.80 2.16 -4.29 2.79 -0.02 -1.26 -4.46 135.00 134.71 1lk5 n PRO 70 Ca -0.03 0.76 -0.16 0.00 -2.02 0.00 0.00 63.50 62.06 1lk5 n PRO 70 Cb 0.50 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 1lk5 n PRO 70 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1lk5 s ILE 71 N -1.16 0.84 0.04 4.25 -4.36 -1.26 -0.46 121.20 119.09 1lk5 s ILE 71 Ca 0.59 -2.01 -0.26 0.00 -0.26 0.00 0.00 60.65 58.71 1lk5 s ILE 71 Cb -0.50 -2.28 0.06 0.00 1.25 0.00 0.00 42.46 40.99 1lk5 s ILE 71 CO 0.60 -0.35 0.60 0.00 0.24 0.00 0.00 174.94 176.02 1lk5 s ALA 72 N -3.55 -1.56 0.60 2.27 0.00 -0.22 -4.86 121.76 114.44 1lk5 s ALA 72 Ca 0.28 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 1lk5 s ALA 72 Cb 0.06 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1lk5 s ALA 72 CO 0.07 -0.53 0.89 -1.54 0.00 0.00 0.00 175.76 174.65 1lk5 s SER 73 N -1.91 5.45 0.26 0.00 1.04 -1.26 -4.13 113.70 113.15 1lk5 s SER 73 Ca -0.06 0.57 -0.01 0.00 0.48 0.00 0.00 55.95 56.93 1lk5 s SER 73 Cb -0.01 -1.52 0.50 0.00 0.10 0.00 0.00 66.02 65.10 1lk5 s SER 73 CO -0.01 -1.13 1.79 0.25 0.98 0.00 0.00 173.24 175.12 1lk5 h LEU 74 N -0.18 0.66 0.00 2.42 5.85 -1.94 -0.86 115.31 121.26 1lk5 h LEU 74 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1lk5 h LEU 74 Cb 1.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1lk5 h LEU 74 CO 0.60 0.33 0.00 -0.90 -0.34 0.00 0.00 178.44 178.12 1lk5 n ASP 75 N -4.78 0.00 0.02 1.25 5.75 -1.26 -2.14 116.55 115.39 1lk5 n ASP 75 Ca 0.17 -0.34 0.11 0.00 -0.01 0.00 0.00 54.79 54.72 1lk5 n ASP 75 Cb 0.38 -0.11 0.02 0.00 -1.03 0.00 0.00 41.12 40.38 1lk5 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lk5 n GLN 76 N -1.11 0.23 -4.36 0.11 6.02 -0.33 -4.96 117.38 112.99 1lk5 n GLN 76 Ca 0.11 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.85 1lk5 n GLN 76 Cb 0.09 -1.57 -0.09 0.00 1.02 0.00 0.00 30.24 29.69 1lk5 n GLN 76 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1lk5 s VAL 77 N -3.16 2.69 -0.63 5.09 -7.23 -0.91 -5.01 120.40 111.24 1lk5 s VAL 77 Ca 0.05 -2.03 0.16 0.00 -1.81 0.00 0.00 61.98 58.35 1lk5 s VAL 77 Cb 0.15 -2.73 -0.20 0.00 0.56 0.00 0.00 36.38 34.16 1lk5 s VAL 77 CO 0.81 -0.25 0.64 -0.90 -0.31 0.00 0.00 175.10 175.08 1lk5 n ASP 78 N -0.90 0.84 -3.52 4.85 5.68 -1.26 -5.00 116.55 117.25 1lk5 n ASP 78 Ca -0.05 -0.71 -0.15 0.00 -0.50 0.00 0.00 54.79 53.38 1lk5 n ASP 78 Cb 0.62 1.15 -0.05 0.00 -1.14 0.00 0.00 41.12 41.70 1lk5 n ASP 78 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lk5 s ALA 79 N -2.68 -1.58 -0.31 2.12 0.00 -1.26 -5.12 121.76 112.93 1lk5 s ALA 79 Ca 0.04 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1lk5 s ALA 79 Cb 0.12 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1lk5 s ALA 79 CO 0.68 -0.49 0.08 0.42 0.00 0.00 0.00 175.76 176.45 1lk5 s ILE 80 N -2.09 3.77 -0.06 0.00 -1.09 -1.26 -4.73 121.20 115.74 1lk5 s ILE 80 Ca -0.07 -0.96 -0.25 0.00 -2.23 0.00 0.00 60.65 57.13 1lk5 s ILE 80 Cb -0.01 -3.05 -0.20 0.00 -1.58 0.00 0.00 42.46 37.62 1lk5 s ILE 80 CO 0.02 -0.05 1.06 0.44 -1.23 0.00 0.00 174.94 175.18 1lk5 h ASP 81 N 8.20 -0.04 -3.71 3.58 3.32 -1.51 -0.03 116.42 126.22 1lk5 h ASP 81 Ca -0.27 -0.57 -0.27 0.00 0.02 0.00 0.00 57.03 55.94 1lk5 h ASP 81 Cb 1.10 0.01 -0.29 0.00 0.22 0.00 0.00 39.33 40.37 1lk5 h ASP 81 CO 0.60 0.57 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.27 1lk5 s VAL 82 N -3.60 0.09 -0.04 -1.35 1.01 -1.18 -1.91 120.40 113.41 1lk5 s VAL 82 Ca -0.16 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1lk5 s VAL 82 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1lk5 s VAL 82 CO 0.63 0.05 -0.20 0.00 0.00 0.00 0.00 175.10 175.57 1lk5 s ALA 83 N 0.22 2.39 -0.10 5.51 0.00 -0.47 -0.30 121.76 129.01 1lk5 s ALA 83 Ca -0.02 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1lk5 s ALA 83 Cb -0.03 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1lk5 s ALA 83 CO -0.01 0.51 -0.18 0.08 0.00 0.00 0.00 175.76 176.16 1lk5 s VAL 84 N -0.55 1.64 0.24 0.00 1.01 -0.50 -0.29 120.40 121.94 1lk5 s VAL 84 Ca 0.08 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 1lk5 s VAL 84 Cb -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1lk5 s VAL 84 CO 0.01 0.47 0.61 -0.62 0.00 0.00 0.00 175.10 175.57 1lk5 s ASP 85 N 0.65 -0.27 0.24 3.32 -1.08 -0.77 -0.11 116.67 118.66 1lk5 s ASP 85 Ca -0.13 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 1lk5 s ASP 85 Cb -0.16 0.65 0.01 0.00 -1.46 0.00 0.00 42.92 41.96 1lk5 s ASP 85 CO 0.04 -1.19 0.09 0.61 0.52 0.00 0.00 175.17 175.23 1lk5 n GLY 86 N -0.40 1.32 3.41 2.66 0.00 -1.26 -0.34 105.19 110.57 1lk5 n GLY 86 Ca -0.07 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 1lk5 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk5 s ALA 87 N -2.45 -1.39 -0.03 4.61 0.00 -1.26 -4.81 121.76 116.44 1lk5 s ALA 87 Ca 0.06 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1lk5 s ALA 87 Cb -0.00 0.40 -0.27 0.00 0.00 0.00 0.00 23.12 23.24 1lk5 s ALA 87 CO 0.04 -0.52 0.72 -0.44 0.00 0.00 0.00 175.76 175.56 1lk5 h ASP 88 N 2.73 0.37 -4.39 0.00 3.32 -1.03 -3.48 116.42 113.94 1lk5 h ASP 88 Ca -0.31 -0.59 -0.18 0.00 0.02 0.00 0.00 57.03 55.98 1lk5 h ASP 88 Cb 1.22 -0.12 -0.24 0.00 0.22 0.00 0.00 39.33 40.41 1lk5 h ASP 88 CO 0.41 1.50 -0.58 -1.61 -1.72 0.00 0.00 179.24 177.24 1lk5 s GLU 89 N -2.60 0.28 -0.10 3.56 2.02 -0.98 -4.73 118.70 116.15 1lk5 s GLU 89 Ca -0.12 -0.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 1lk5 s GLU 89 Cb 0.07 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.44 1lk5 s GLU 89 CO 0.83 -0.05 -0.03 0.08 0.02 0.00 0.00 175.26 176.11 1lk5 s VAL 90 N -0.70 0.69 0.61 2.63 1.01 0.22 -1.83 120.40 123.02 1lk5 s VAL 90 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1lk5 s VAL 90 Cb -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.58 1lk5 s VAL 90 CO 0.00 0.27 0.86 1.51 0.00 0.00 0.00 175.10 177.74 1lk5 s ASP 91 N 1.84 5.04 0.53 3.32 3.84 -0.40 -0.86 116.67 129.97 1lk5 s ASP 91 Ca 0.04 0.05 0.35 0.00 -0.00 0.00 0.00 52.55 52.99 1lk5 s ASP 91 Cb -0.13 -0.81 1.71 0.00 -1.38 0.00 0.00 42.92 42.31 1lk5 s ASP 91 CO -0.07 -1.35 2.06 -0.65 -0.00 0.00 0.00 175.17 175.16 1lk5 h PRO 92 N -0.17 0.00 -0.51 2.11 0.11 -1.83 -1.26 132.00 130.45 1lk5 h PRO 92 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1lk5 h PRO 92 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1lk5 h PRO 92 CO 0.52 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.40 1lk5 n ASN 93 N -2.87 2.77 -1.14 -2.05 3.02 -1.26 -4.93 115.26 108.80 1lk5 n ASN 93 Ca -0.01 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.43 1lk5 n ASN 93 Cb 0.17 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1lk5 n ASN 93 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1lk5 n LEU 94 N 1.02 -1.25 -4.79 3.41 4.32 -0.47 -4.93 117.00 114.31 1lk5 n LEU 94 Ca 0.17 0.11 -0.38 0.00 -0.02 0.00 0.00 56.01 55.90 1lk5 n LEU 94 Cb 0.44 -1.84 -0.06 0.00 -1.62 0.00 0.00 43.42 40.34 1lk5 n LEU 94 CO 0.12 -0.32 0.48 0.20 -1.22 0.00 0.00 177.39 176.65 1lk5 s ASN 95 N -2.64 7.23 0.26 -1.43 0.01 -1.26 -4.49 114.94 112.62 1lk5 s ASN 95 Ca 0.00 1.57 0.10 0.00 -0.71 0.00 0.00 52.86 53.82 1lk5 s ASN 95 Cb 0.00 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1lk5 s ASN 95 CO 0.00 0.09 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.77 1lk5 s LEU 96 N -1.65 2.58 -0.10 0.60 1.43 -0.63 -1.28 118.68 119.64 1lk5 s LEU 96 Ca 0.41 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1lk5 s LEU 96 Cb -0.20 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 1lk5 s LEU 96 CO 0.23 -0.10 -0.20 -0.63 0.23 0.00 0.00 176.35 175.88 1lk5 s ILE 97 N -2.73 2.41 0.15 -0.59 1.01 -0.76 -0.92 121.20 119.77 1lk5 s ILE 97 Ca 0.28 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1lk5 s ILE 97 Cb -0.02 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 1lk5 s ILE 97 CO 0.12 0.55 0.00 -0.54 0.00 0.00 0.00 174.94 175.08 1lk5 s LYS 98 N 0.18 1.03 0.00 2.79 1.02 0.41 -0.30 119.74 124.87 1lk5 s LYS 98 Ca -0.12 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.39 1lk5 s LYS 98 Cb -0.16 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 36.99 1lk5 s LYS 98 CO 0.07 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1lk5 n GLY 99 N -0.18 0.91 0.33 -3.33 0.00 -1.26 -4.27 105.19 97.39 1lk5 n GLY 99 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1lk5 n GLY 99 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lk5 h ARG 100 N 0.00 0.31 -0.01 1.61 2.43 -1.95 0.15 114.38 116.93 1lk5 h ARG 100 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1lk5 h ARG 100 Cb 0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1lk5 h ARG 100 CO 0.00 0.20 -0.04 0.41 -1.51 0.00 0.00 179.97 179.04 1lk5 n GLY 101 N -1.53 -0.71 2.25 2.80 0.00 -1.26 -4.93 105.19 101.81 1lk5 n GLY 101 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1lk5 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lk5 n ALA 102 N -0.67 -0.04 -0.93 4.61 0.00 0.04 -4.92 120.51 118.60 1lk5 n ALA 102 Ca 0.19 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.75 1lk5 n ALA 102 Cb 0.24 -0.64 0.31 0.00 0.00 0.00 0.00 19.45 19.35 1lk5 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lk5 n ALA 103 N 1.04 3.27 0.05 0.00 0.00 -1.26 -4.66 120.51 118.95 1lk5 n ALA 103 Ca -0.02 -2.14 0.14 0.00 0.00 0.00 0.00 53.44 51.41 1lk5 n ALA 103 Cb 0.17 -0.85 0.61 0.00 0.00 0.00 0.00 19.45 19.38 1lk5 n ALA 103 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1lk5 h LEU 104 N 2.59 0.12 0.17 0.00 -0.00 -1.91 -1.93 115.31 114.36 1lk5 h LEU 104 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1lk5 h LEU 104 Cb 1.60 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.24 1lk5 h LEU 104 CO 0.31 0.08 -0.08 0.74 -0.00 0.00 0.00 178.44 179.48 1lk5 h THR 105 N 0.14 0.94 -0.10 0.15 2.02 -1.94 -1.22 112.91 112.91 1lk5 h THR 105 Ca 0.18 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1lk5 h THR 105 Cb 0.53 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1lk5 h THR 105 CO -0.02 0.18 -0.36 -0.03 0.37 0.00 0.00 175.52 175.66 1lk5 h MET 106 N -0.65 0.20 0.05 6.66 4.05 -1.76 -1.05 114.93 122.43 1lk5 h MET 106 Ca -0.02 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1lk5 h MET 106 Cb 0.47 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1lk5 h MET 106 CO 0.04 0.54 -0.02 0.93 0.23 0.00 0.00 176.91 178.62 1lk5 h GLU 107 N 0.17 -0.06 -0.32 0.39 5.08 -1.29 -1.86 114.58 116.69 1lk5 h GLU 107 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1lk5 h GLU 107 Cb 0.71 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1lk5 h GLU 107 CO 0.05 -0.01 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.54 1lk5 h LYS 108 N -0.09 0.67 -0.58 2.33 3.64 -0.98 -0.07 116.57 121.49 1lk5 h LYS 108 Ca -0.01 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1lk5 h LYS 108 Cb 0.08 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1lk5 h LYS 108 CO 0.01 0.89 0.27 0.82 -2.27 0.00 0.00 179.45 179.17 1lk5 h ILE 109 N 0.58 0.89 0.09 2.00 2.04 -1.04 -1.08 117.51 120.99 1lk5 h ILE 109 Ca 0.07 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.56 1lk5 h ILE 109 Cb 0.79 0.33 0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1lk5 h ILE 109 CO 0.07 0.09 -0.83 0.40 0.00 0.00 0.00 178.15 177.88 1lk5 h ILE 110 N 0.51 1.44 0.00 -0.67 2.04 -1.14 -3.33 117.51 116.36 1lk5 h ILE 110 Ca 0.27 -2.37 -0.07 0.00 1.00 0.00 0.00 64.86 63.70 1lk5 h ILE 110 Cb 0.24 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1lk5 h ILE 110 CO -0.22 0.69 -0.33 -0.33 0.00 0.00 0.00 178.15 177.96 1lk5 h GLU 111 N -0.16 0.00 -0.21 2.37 5.08 -0.96 -2.63 114.58 118.07 1lk5 h GLU 111 Ca -0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1lk5 h GLU 111 Cb 1.59 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 1lk5 h GLU 111 CO 0.16 0.33 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.48 1lk5 h TYR 112 N 0.00 0.36 -0.13 4.33 3.20 -1.30 -2.51 116.97 120.92 1lk5 h TYR 112 Ca -0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1lk5 h TYR 112 Cb 0.68 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1lk5 h TYR 112 CO 0.00 0.44 0.00 0.54 -1.64 0.00 0.00 178.16 177.50 1lk5 n ARG 113 N -4.27 2.02 -2.57 1.82 3.00 -1.00 -4.97 116.66 110.70 1lk5 n ARG 113 Ca -0.00 -1.50 -0.40 0.00 -0.01 0.00 0.00 57.85 55.93 1lk5 n ARG 113 Cb 0.27 -1.46 -0.05 0.00 0.00 0.00 0.00 32.46 31.22 1lk5 n ARG 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lk5 s ALA 114 N -1.85 3.38 0.14 7.54 0.00 -0.95 -4.12 121.76 125.89 1lk5 s ALA 114 Ca 0.34 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 1lk5 s ALA 114 Cb 0.20 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1lk5 s ALA 114 CO 0.30 -0.06 1.78 0.78 0.00 0.00 0.00 175.76 178.56 1lk5 h GLY 115 N 4.23 0.38 -6.58 0.00 0.00 -0.64 -3.41 103.07 97.06 1lk5 h GLY 115 Ca -0.46 -0.12 -0.43 0.00 0.00 0.00 0.00 47.33 46.32 1lk5 h GLY 115 CO 0.68 0.11 -0.77 -1.59 0.00 0.00 0.00 176.54 174.97 1lk5 s THR 116 N -6.17 0.52 -0.36 4.70 2.01 -0.81 -5.01 115.64 110.53 1lk5 s THR 116 Ca -0.13 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.71 1lk5 s THR 116 Cb 0.10 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 72.02 1lk5 s THR 116 CO 0.70 0.25 0.21 0.12 -0.69 0.00 0.00 174.62 175.22 1lk5 s PHE 117 N 1.40 3.22 -0.24 4.92 5.36 -1.26 -1.37 117.98 130.02 1lk5 s PHE 117 Ca -0.03 -0.63 -0.08 0.00 -0.96 0.00 0.00 56.93 55.22 1lk5 s PHE 117 Cb -0.13 -2.45 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 1lk5 s PHE 117 CO -0.03 -0.52 0.10 0.42 -1.46 0.00 0.00 175.22 173.73 1lk5 s ILE 118 N 1.63 4.77 -0.17 3.12 1.01 0.60 -0.85 121.20 131.30 1lk5 s ILE 118 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1lk5 s ILE 118 Cb -0.18 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1lk5 s ILE 118 CO 0.08 0.35 0.07 -0.69 0.00 0.00 0.00 174.94 174.75 1lk5 s VAL 119 N 1.26 4.86 -0.22 2.92 1.01 0.22 -1.85 120.40 128.61 1lk5 s VAL 119 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1lk5 s VAL 119 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1lk5 s VAL 119 CO 0.05 0.49 -0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1lk5 s LEU 120 N 0.08 3.12 0.06 3.92 1.02 0.54 -0.17 118.68 127.25 1lk5 s LEU 120 Ca 0.06 -0.29 -0.06 0.00 0.02 0.00 0.00 54.13 53.86 1lk5 s LEU 120 Cb -0.12 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.27 1lk5 s LEU 120 CO 0.01 0.01 0.10 0.68 0.02 0.00 0.00 176.35 177.17 1lk5 s VAL 121 N 1.30 0.16 0.48 -1.59 -7.23 -0.54 -4.09 120.40 108.89 1lk5 s VAL 121 Ca 0.04 -1.30 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1lk5 s VAL 121 Cb -0.15 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.58 1lk5 s VAL 121 CO 0.00 -0.72 0.69 1.51 -0.31 0.00 0.00 175.10 176.27 1lk5 s ASP 122 N -2.61 5.55 0.39 4.85 1.47 -1.26 -0.13 116.67 124.93 1lk5 s ASP 122 Ca 0.02 0.01 0.19 0.00 1.18 0.00 0.00 52.55 53.95 1lk5 s ASP 122 Cb 0.04 -1.08 1.13 0.00 -0.34 0.00 0.00 42.92 42.67 1lk5 s ASP 122 CO -0.08 -0.90 1.72 -0.08 0.68 0.00 0.00 175.17 176.51 1lk5 h GLU 123 N 0.32 0.34 0.00 2.11 4.81 -1.29 -1.93 114.58 118.94 1lk5 h GLU 123 Ca -0.43 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1lk5 h GLU 123 Cb 1.28 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1lk5 h GLU 123 CO 0.53 0.23 -0.05 0.00 -0.73 0.00 0.00 179.01 178.99 1lk5 h ARG 124 N 0.35 0.00 0.00 1.92 3.08 -1.95 -2.75 114.38 115.03 1lk5 h ARG 124 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1lk5 h ARG 124 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1lk5 h ARG 124 CO -0.39 0.05 0.00 0.87 -1.07 0.00 0.00 179.97 179.43 1lk5 h LYS 125 N 0.00 0.00 -6.56 0.04 1.79 -1.63 -3.45 116.57 106.76 1lk5 h LYS 125 Ca -0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1lk5 h LYS 125 Cb 0.14 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1lk5 h LYS 125 CO 0.01 0.00 0.70 -0.51 -1.08 0.00 0.00 179.45 178.56 1lk5 s LEU 126 N -5.98 4.38 0.20 2.94 1.43 -1.04 -0.61 118.68 119.99 1lk5 s LEU 126 Ca 0.06 2.30 0.06 0.00 -1.03 0.00 0.00 54.13 55.52 1lk5 s LEU 126 Cb 0.07 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1lk5 s LEU 126 CO 0.62 -0.62 -0.10 0.68 0.23 0.00 0.00 176.35 177.16 1lk5 s VAL 127 N 0.97 1.46 -0.05 -1.59 -7.23 -0.04 -4.88 120.40 109.05 1lk5 s VAL 127 Ca 0.63 -2.13 0.12 0.00 -1.81 0.00 0.00 61.98 58.79 1lk5 s VAL 127 Cb -0.36 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 1lk5 s VAL 127 CO 0.31 -0.57 1.32 0.44 -0.31 0.00 0.00 175.10 176.29 1lk5 h ASP 128 N 2.58 0.00 -4.79 4.85 3.32 -1.96 -3.35 116.42 117.07 1lk5 h ASP 128 Ca -0.38 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 1lk5 h ASP 128 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 1lk5 h ASP 128 CO 0.63 0.71 0.04 -0.72 -1.72 0.00 0.00 179.24 178.19 1lk5 s TYR 129 N -2.85 -0.55 0.32 4.55 -0.85 -1.26 -4.66 117.35 112.05 1lk5 s TYR 129 Ca 0.02 1.02 -0.29 0.00 -0.52 0.00 0.00 57.07 57.31 1lk5 s TYR 129 Cb 0.09 0.30 -0.11 0.00 0.38 0.00 0.00 41.96 42.62 1lk5 s TYR 129 CO 0.78 -0.50 1.44 -0.51 -1.52 0.00 0.00 175.55 175.24 1lk5 s LEU 130 N -0.92 4.37 -0.01 -3.49 1.43 -1.26 -1.80 118.68 116.99 1lk5 s LEU 130 Ca -0.09 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1lk5 s LEU 130 Cb -0.02 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1lk5 s LEU 130 CO 0.07 -0.74 0.00 0.00 0.23 0.00 0.00 176.35 175.90 1lk5 h GLN 132 N 0.77 0.55 0.00 0.00 4.15 -1.65 -3.38 115.11 115.55 1lk5 h GLN 132 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1lk5 h GLN 132 Cb 0.04 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1lk5 h GLN 132 CO 0.00 0.49 -0.95 1.63 -1.93 0.00 0.00 178.83 178.08 1lk5 n LYS 133 N -4.35 2.12 -4.29 1.69 5.02 -1.26 -5.11 118.16 111.98 1lk5 n LYS 133 Ca 0.02 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.14 1lk5 n LYS 133 Cb 0.18 -0.98 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 1lk5 n LYS 133 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1lk5 s MET 134 N -1.95 1.17 0.70 1.97 -1.94 -1.26 -5.15 119.30 112.84 1lk5 s MET 134 Ca 0.00 -1.44 -0.08 0.00 -1.71 0.00 0.00 55.69 52.46 1lk5 s MET 134 Cb 0.00 -0.96 0.05 0.00 2.01 0.00 0.00 34.83 35.93 1lk5 s MET 134 CO 0.00 0.16 1.02 -1.25 -0.01 0.00 0.00 175.02 174.94 1lk5 s PRO 135 N -3.32 2.35 -0.40 2.03 0.04 -1.26 -4.18 135.00 130.27 1lk5 s PRO 135 Ca 0.17 -0.11 -0.16 0.00 0.04 0.00 0.00 61.00 60.94 1lk5 s PRO 135 Cb -0.02 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1lk5 s PRO 135 CO 0.04 -1.17 0.38 0.08 0.04 0.00 0.00 177.00 176.37 1lk5 s VAL 136 N -3.25 5.16 0.28 -0.36 1.01 0.45 -4.83 120.40 118.85 1lk5 s VAL 136 Ca 0.59 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1lk5 s VAL 136 Cb -0.11 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 1lk5 s VAL 136 CO 0.46 -0.32 1.43 -2.84 0.00 0.00 0.00 175.10 173.82 1lk5 s PRO 137 N 1.97 4.26 -0.08 2.72 0.02 -1.26 -0.96 135.00 141.67 1lk5 s PRO 137 Ca 0.10 2.32 -0.00 0.00 0.02 0.00 0.00 61.00 63.44 1lk5 s PRO 137 Cb -0.18 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.28 1lk5 s PRO 137 CO 0.12 -0.40 -0.05 0.42 -0.33 0.00 0.00 177.00 176.77 1lk5 s ILE 138 N -0.30 0.72 -0.07 2.83 1.01 0.13 -0.29 121.20 125.23 1lk5 s ILE 138 Ca 0.57 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 1lk5 s ILE 138 Cb -0.42 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1lk5 s ILE 138 CO 0.47 0.30 0.56 -0.70 0.00 0.00 0.00 174.94 175.57 1lk5 s GLU 139 N 1.56 4.34 0.02 2.79 2.12 -0.41 -0.58 118.70 128.55 1lk5 s GLU 139 Ca 0.00 0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1lk5 s GLU 139 Cb -0.13 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1lk5 s GLU 139 CO -0.05 0.22 -0.04 0.14 -0.54 0.00 0.00 175.26 175.00 1lk5 s VAL 140 N 0.35 0.17 0.15 3.70 -7.23 -0.26 -0.66 120.40 116.63 1lk5 s VAL 140 Ca 0.30 -0.97 -0.32 0.00 -1.81 0.00 0.00 61.98 59.18 1lk5 s VAL 140 Cb -0.17 -0.36 -0.11 0.00 0.56 0.00 0.00 36.38 36.30 1lk5 s VAL 140 CO 0.14 -0.50 1.79 -0.38 -0.31 0.00 0.00 175.10 175.84 1lk5 n ILE 141 N 1.52 0.23 -0.28 -0.62 2.08 -0.17 -1.79 119.36 120.33 1lk5 n ILE 141 Ca -0.23 -0.04 0.02 0.00 0.56 0.00 0.00 62.75 63.06 1lk5 n ILE 141 Cb 0.55 -2.04 0.10 0.00 -0.75 0.00 0.00 39.64 37.50 1lk5 n ILE 141 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1lk5 h PRO 142 N 7.83 -0.00 0.00 0.38 0.11 -1.91 -0.84 132.00 137.56 1lk5 h PRO 142 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1lk5 h PRO 142 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lk5 h PRO 142 CO 0.95 -0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 1lk5 n GLN 143 N -5.52 0.02 0.00 1.05 10.64 -1.26 -1.78 117.38 120.53 1lk5 n GLN 143 Ca 0.11 0.28 0.13 0.00 -1.83 0.00 0.00 57.00 55.69 1lk5 n GLN 143 Cb 0.41 -1.53 0.41 0.00 -0.86 0.00 0.00 30.24 28.67 1lk5 n GLN 143 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1lk5 n ALA 144 N -1.53 2.84 -0.16 2.61 0.00 -0.32 -4.55 120.51 119.40 1lk5 n ALA 144 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.99 1lk5 n ALA 144 Cb 0.17 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1lk5 n ALA 144 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1lk5 h TRP 145 N 1.97 0.37 -0.41 0.00 5.08 -1.41 -1.85 115.95 119.70 1lk5 h TRP 145 Ca 0.00 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.84 1lk5 h TRP 145 Cb 0.54 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.60 1lk5 h TRP 145 CO 0.00 0.15 -0.35 -0.22 -1.28 0.00 0.00 178.44 176.74 1lk5 h LYS 146 N 0.40 0.95 -0.45 0.12 3.64 -1.84 -2.37 116.57 117.03 1lk5 h LYS 146 Ca 0.23 -0.48 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1lk5 h LYS 146 Cb 0.20 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1lk5 h LYS 146 CO -0.20 1.14 -0.25 0.00 -2.27 0.00 0.00 179.45 177.87 1lk5 h ALA 147 N 0.80 0.70 -0.41 5.00 0.00 -1.82 -2.55 119.26 120.99 1lk5 h ALA 147 Ca 0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1lk5 h ALA 147 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lk5 h ALA 147 CO 0.09 0.67 0.00 0.82 0.00 0.00 0.00 179.25 180.83 1lk5 h ILE 148 N 0.81 1.26 -0.21 0.00 2.04 -1.26 0.47 117.51 120.62 1lk5 h ILE 148 Ca 0.10 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1lk5 h ILE 148 Cb 0.82 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1lk5 h ILE 148 CO 0.07 0.35 0.03 0.40 0.00 0.00 0.00 178.15 179.00 1lk5 h ILE 149 N 0.56 0.89 -0.83 -0.67 2.04 -1.40 -1.57 117.51 116.54 1lk5 h ILE 149 Ca 0.12 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1lk5 h ILE 149 Cb 0.48 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1lk5 h ILE 149 CO 0.02 0.02 0.49 -0.33 0.00 0.00 0.00 178.15 178.35 1lk5 h GLU 150 N 0.11 1.13 -0.03 2.37 5.08 -1.21 -2.64 114.58 119.39 1lk5 h GLU 150 Ca 0.10 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1lk5 h GLU 150 Cb 0.10 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1lk5 h GLU 150 CO -0.14 0.79 -0.43 0.93 -1.00 0.00 0.00 179.01 179.16 1lk5 h GLU 151 N 1.14 0.06 0.00 2.33 5.08 -0.43 -2.77 114.58 120.00 1lk5 h GLU 151 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1lk5 h GLU 151 Cb -0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1lk5 h GLU 151 CO -0.05 0.49 0.00 1.28 -1.00 0.00 0.00 179.01 179.72 1lk5 n LEU 152 N -4.02 0.00 0.33 1.33 4.77 -0.63 -3.05 117.00 115.73 1lk5 n LEU 152 Ca -0.02 0.45 0.21 0.00 -0.03 0.00 0.00 56.01 56.62 1lk5 n LEU 152 Cb 0.47 -0.45 1.13 0.00 -2.33 0.00 0.00 43.42 42.24 1lk5 n LEU 152 CO 0.40 -0.14 1.16 0.77 -1.33 0.00 0.00 177.39 178.25 1lk5 h SER 153 N 0.00 0.00 0.40 -1.43 4.64 -1.49 -0.86 113.55 114.80 1lk5 h SER 153 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1lk5 h SER 153 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1lk5 h SER 153 CO 0.00 0.00 -0.07 -0.29 -0.87 0.00 0.00 176.83 175.61 1lk5 h ILE 154 N 0.00 0.34 -0.63 0.95 2.10 -1.77 -0.17 117.51 118.33 1lk5 h ILE 154 Ca -0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1lk5 h ILE 154 Cb 0.07 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 1lk5 h ILE 154 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 1lk5 n PHE 155 N -3.43 1.07 -2.96 2.19 3.01 -0.34 -4.94 117.46 112.06 1lk5 n PHE 155 Ca -0.02 -0.55 -0.22 0.00 1.01 0.00 0.00 57.45 57.67 1lk5 n PHE 155 Cb 0.21 -0.10 0.02 0.00 -0.01 0.00 0.00 39.48 39.60 1lk5 n PHE 155 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1lk5 n ASN 156 N 1.20 -5.62 -4.74 4.37 3.02 -0.08 -4.62 115.26 108.80 1lk5 n ASN 156 Ca 0.23 -0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1lk5 n ASN 156 Cb 0.69 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 1lk5 n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lk5 s ALA 157 N -3.09 3.42 -0.91 5.41 0.00 -1.15 -4.42 121.76 121.03 1lk5 s ALA 157 Ca 0.26 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 1lk5 s ALA 157 Cb -0.12 -3.40 0.22 0.00 0.00 0.00 0.00 23.12 19.81 1lk5 s ALA 157 CO 0.32 -0.35 0.91 0.21 0.00 0.00 0.00 175.76 176.85 1lk5 s LYS 158 N -0.20 3.73 -0.11 0.00 2.20 -0.99 -4.58 119.74 119.79 1lk5 s LYS 158 Ca 0.52 -2.50 -0.11 0.00 -0.36 0.00 0.00 55.97 53.53 1lk5 s LYS 158 Cb -0.32 -4.55 -0.05 0.00 -1.51 0.00 0.00 37.83 31.41 1lk5 s LYS 158 CO 0.36 -1.37 0.24 0.00 -0.36 0.00 0.00 175.35 174.22 1lk5 s ALA 159 N 0.33 3.75 0.02 3.13 0.00 -1.26 -2.12 121.76 125.62 1lk5 s ALA 159 Ca 0.23 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1lk5 s ALA 159 Cb -0.09 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 1lk5 s ALA 159 CO -0.09 0.42 -0.07 -1.21 0.00 0.00 0.00 175.76 174.81 1lk5 s GLU 160 N -0.55 0.48 0.02 0.00 2.02 -0.77 -4.97 118.70 114.93 1lk5 s GLU 160 Ca 0.17 -0.49 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 1lk5 s GLU 160 Cb -0.13 -0.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.71 1lk5 s GLU 160 CO 0.06 0.08 1.15 -1.17 0.02 0.00 0.00 175.26 175.40 1lk5 s LEU 161 N -0.89 4.34 -0.02 1.80 2.96 -1.26 -0.65 118.68 124.96 1lk5 s LEU 161 Ca -0.04 1.89 -0.30 0.00 -0.22 0.00 0.00 54.13 55.45 1lk5 s LEU 161 Cb -0.06 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 1lk5 s LEU 161 CO 0.00 -0.46 1.17 -0.60 -1.32 0.00 0.00 176.35 175.15 1lk5 s ARG 162 N 1.36 4.39 0.04 1.98 3.52 0.05 -4.93 118.95 125.36 1lk5 s ARG 162 Ca 0.57 1.66 0.01 0.00 -0.13 0.00 0.00 55.73 57.84 1lk5 s ARG 162 Cb -0.26 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 1lk5 s ARG 162 CO 0.27 -0.36 0.11 -1.64 -0.81 0.00 0.00 175.30 172.87 1lk5 s MET 163 N 1.82 3.09 0.59 5.12 -1.94 -1.26 -0.67 119.30 126.04 1lk5 s MET 163 Ca 0.56 -0.55 -0.14 0.00 -1.71 0.00 0.00 55.69 53.85 1lk5 s MET 163 Cb -0.25 -2.86 -0.05 0.00 2.01 0.00 0.00 34.83 33.68 1lk5 s MET 163 CO 0.24 0.61 1.02 0.20 -0.01 0.00 0.00 175.02 177.08 1lk5 s GLY 164 N -2.18 1.87 -0.14 -0.03 0.00 0.39 -4.53 107.32 102.70 1lk5 s GLY 164 Ca 0.28 0.09 -0.05 0.00 0.00 0.00 0.00 44.72 45.04 1lk5 s GLY 164 CO 0.20 0.38 -0.17 -0.62 0.00 0.00 0.00 173.10 172.89 1lk5 n VAL 165 N -2.26 0.79 0.42 1.40 0.31 -1.26 -4.63 118.33 113.09 1lk5 n VAL 165 Ca 0.07 -0.22 0.07 0.00 -0.01 0.00 0.00 64.34 64.24 1lk5 n VAL 165 Cb 0.54 -1.54 0.21 0.00 -0.91 0.00 0.00 33.84 32.14 1lk5 n VAL 165 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1lk5 n ASN 166 N -3.48 2.71 -4.01 4.52 3.02 -1.26 -4.77 115.26 111.99 1lk5 n ASN 166 Ca -0.28 -2.11 -0.08 0.00 -0.03 0.00 0.00 54.58 52.09 1lk5 n ASN 166 Cb 0.71 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1lk5 n ASN 166 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1lk5 s LYS 167 N -1.53 0.61 0.48 3.52 -2.85 -1.26 -5.16 119.74 113.54 1lk5 s LYS 167 Ca 0.31 -1.03 -0.10 0.00 -1.00 0.00 0.00 55.97 54.16 1lk5 s LYS 167 Cb 0.18 0.22 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 1lk5 s LYS 167 CO 0.19 -0.13 0.84 -0.51 0.10 0.00 0.00 175.35 175.83 1lk5 s ASP 168 N -2.60 6.41 0.00 0.03 1.01 -1.26 -4.25 116.67 116.01 1lk5 s ASP 168 Ca 0.02 1.17 0.00 0.00 0.71 0.00 0.00 52.55 54.45 1lk5 s ASP 168 Cb 0.04 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1lk5 s ASP 168 CO -0.08 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.36 1lk5 n GLY 169 N -1.85 -2.16 3.75 0.21 0.00 -1.26 -4.80 105.19 99.08 1lk5 n GLY 169 Ca 0.03 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1lk5 n GLY 169 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1lk5 s PRO 170 N -0.29 3.05 0.29 1.61 0.02 -1.26 -0.46 135.00 137.96 1lk5 s PRO 170 Ca 0.00 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 1lk5 s PRO 170 Cb 0.00 -2.12 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 1lk5 s PRO 170 CO 0.00 -1.21 1.60 0.28 -0.33 0.00 0.00 177.00 177.34 1lk5 n VAL 171 N -1.27 1.03 -4.46 3.83 0.31 0.15 -4.45 118.33 113.48 1lk5 n VAL 171 Ca 0.12 -0.26 -0.34 0.00 -0.01 0.00 0.00 64.34 63.86 1lk5 n VAL 171 Cb 0.47 -1.97 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 1lk5 n VAL 171 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1lk5 s ILE 172 N -0.01 3.78 0.95 2.52 -1.09 -1.26 -4.18 121.20 121.91 1lk5 s ILE 172 Ca 0.64 -0.40 -0.13 0.00 -2.23 0.00 0.00 60.65 58.53 1lk5 s ILE 172 Cb -0.49 -2.65 0.16 0.00 -1.58 0.00 0.00 42.46 37.90 1lk5 s ILE 172 CO 0.49 0.50 1.16 0.42 -1.23 0.00 0.00 174.94 176.27 1lk5 s THR 173 N 0.32 1.96 0.66 2.92 -4.23 0.06 -4.88 115.64 112.45 1lk5 s THR 173 Ca -0.05 0.00 0.43 0.00 -1.18 0.00 0.00 61.69 60.90 1lk5 s THR 173 Cb -0.14 -2.76 0.44 0.00 1.34 0.00 0.00 72.50 71.38 1lk5 s THR 173 CO 0.03 0.00 2.36 0.44 -0.54 0.00 0.00 174.62 176.92 1lk5 h ASP 174 N -1.62 0.00 -0.33 3.99 3.32 -1.90 -0.38 116.42 119.50 1lk5 h ASP 174 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1lk5 h ASP 174 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1lk5 h ASP 174 CO 0.56 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.67 1lk5 n ASN 175 N -3.16 2.81 0.00 6.45 4.13 -1.26 -4.94 115.26 119.29 1lk5 n ASN 175 Ca -0.03 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1lk5 n ASN 175 Cb 0.07 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1lk5 n ASN 175 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lk5 n GLY 176 N 1.37 0.44 3.87 7.41 0.00 -0.15 -5.06 105.19 113.07 1lk5 n GLY 176 Ca 0.18 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1lk5 n GLY 176 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lk5 s ASN 177 N -2.76 4.96 0.48 1.61 0.01 -1.26 -4.78 114.94 113.20 1lk5 s ASN 177 Ca 0.00 -0.83 -0.02 0.00 -0.71 0.00 0.00 52.86 51.30 1lk5 s ASN 177 Cb 0.00 -0.44 -0.01 0.00 0.41 0.00 0.00 41.25 41.22 1lk5 s ASN 177 CO 0.00 -0.71 0.74 -0.36 -1.51 0.00 0.00 177.10 175.26 1lk5 s PHE 178 N -2.52 3.32 -0.10 2.20 0.08 -0.74 -0.76 117.98 119.47 1lk5 s PHE 178 Ca 0.47 0.46 0.02 0.00 0.12 0.00 0.00 56.93 58.00 1lk5 s PHE 178 Cb -0.03 -2.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1lk5 s PHE 178 CO 0.27 -0.43 -0.17 0.42 -0.10 0.00 0.00 175.22 175.21 1lk5 s ILE 179 N -2.69 1.61 -0.15 0.64 -1.09 -1.26 -1.10 121.20 117.16 1lk5 s ILE 179 Ca 0.49 -0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 58.12 1lk5 s ILE 179 Cb -0.10 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.30 1lk5 s ILE 179 CO 0.41 0.46 0.04 -0.63 -1.23 0.00 0.00 174.94 173.99 1lk5 s ILE 180 N 0.73 4.63 -0.32 2.92 1.01 0.26 -0.77 121.20 129.65 1lk5 s ILE 180 Ca -0.12 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 1lk5 s ILE 180 Cb -0.16 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1lk5 s ILE 180 CO 0.02 0.52 0.16 -1.81 0.00 0.00 0.00 174.94 173.83 1lk5 s ASP 181 N -0.08 5.55 -0.39 3.58 1.01 0.18 0.19 116.67 126.71 1lk5 s ASP 181 Ca 0.06 -0.66 -0.15 0.00 0.71 0.00 0.00 52.55 52.51 1lk5 s ASP 181 Cb -0.12 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.82 1lk5 s ASP 181 CO 0.01 -0.24 0.30 0.00 0.21 0.00 0.00 175.17 175.45 1lk5 s ALA 182 N 1.59 3.48 -1.09 5.23 0.00 -0.14 -1.84 121.76 128.99 1lk5 s ALA 182 Ca 0.04 -1.57 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 1lk5 s ALA 182 Cb -0.18 -2.84 0.19 0.00 0.00 0.00 0.00 23.12 20.30 1lk5 s ALA 182 CO 0.06 -1.31 1.23 0.21 0.00 0.00 0.00 175.76 175.94 1lk5 s LYS 183 N 1.76 3.96 0.43 0.00 2.47 -0.90 -0.41 119.74 127.04 1lk5 s LYS 183 Ca 0.06 -2.53 -0.25 0.00 -1.56 0.00 0.00 55.97 51.70 1lk5 s LYS 183 Cb -0.18 -4.85 -0.08 0.00 -1.46 0.00 0.00 37.83 31.25 1lk5 s LYS 183 CO 0.11 -1.60 1.26 -0.06 0.16 0.00 0.00 175.35 175.21 1lk5 s PHE 184 N 1.06 2.80 0.36 4.03 0.40 -1.26 -2.35 117.98 123.01 1lk5 s PHE 184 Ca 0.35 1.45 0.15 0.00 -0.60 0.00 0.00 56.93 58.28 1lk5 s PHE 184 Cb -0.06 -3.59 0.79 0.00 0.51 0.00 0.00 43.02 40.68 1lk5 s PHE 184 CO -0.05 -1.95 1.84 -1.00 0.70 0.00 0.00 175.22 174.76 1lk5 h PRO 185 N 2.41 0.00 -1.97 0.24 0.14 -1.82 -3.46 132.00 127.54 1lk5 h PRO 185 Ca -0.50 0.00 0.15 0.00 0.14 0.00 0.00 66.00 65.80 1lk5 h PRO 185 Cb 1.25 0.00 -0.17 0.00 0.14 0.00 0.00 31.00 32.22 1lk5 h PRO 185 CO 0.61 0.35 0.60 -0.98 0.14 0.00 0.00 178.00 178.72 1lk5 s ARG 186 N -4.14 0.64 -0.28 0.86 1.70 -1.26 -4.74 118.95 111.72 1lk5 s ARG 186 Ca -0.03 -0.20 -0.02 0.00 -0.47 0.00 0.00 55.73 55.01 1lk5 s ARG 186 Cb 0.14 0.30 0.09 0.00 -0.57 0.00 0.00 34.95 34.91 1lk5 s ARG 186 CO 0.71 -0.27 0.10 0.42 -1.08 0.00 0.00 175.30 175.18 1lk5 s ILE 187 N -2.71 0.42 -0.68 4.99 1.01 -1.23 -5.02 121.20 117.97 1lk5 s ILE 187 Ca 0.06 -1.00 0.26 0.00 0.00 0.00 0.00 60.65 59.96 1lk5 s ILE 187 Cb -0.01 -1.28 0.28 0.00 0.01 0.00 0.00 42.46 41.46 1lk5 s ILE 187 CO -0.07 -0.64 1.72 0.44 0.00 0.00 0.00 174.94 176.40 1lk5 h ASP 188 N 8.25 0.00 -2.53 3.58 3.45 -2.00 -3.38 116.42 123.79 1lk5 h ASP 188 Ca -0.17 -0.01 -0.60 0.00 0.43 0.00 0.00 57.03 56.68 1lk5 h ASP 188 Cb 1.03 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 39.41 1lk5 h ASP 188 CO 0.44 0.01 -0.87 -0.67 -1.57 0.00 0.00 179.24 176.57 1lk5 n ASP 189 N -2.37 0.52 -0.22 6.45 -0.08 -1.26 -5.02 116.55 114.57 1lk5 n ASP 189 Ca 0.05 -2.62 0.02 0.00 -1.51 0.00 0.00 54.79 50.73 1lk5 n ASP 189 Cb 0.45 -0.61 0.14 0.00 2.34 0.00 0.00 41.12 43.43 1lk5 n ASP 189 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lk5 h PRO 190 N 5.47 0.38 -0.18 -0.67 0.11 -1.99 -0.78 132.00 134.34 1lk5 h PRO 190 Ca 0.23 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.34 1lk5 h PRO 190 Cb 0.86 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1lk5 h PRO 190 CO 0.47 0.25 0.04 1.25 -0.21 0.00 0.00 178.00 179.80 1lk5 h LEU 191 N 0.39 0.02 -0.34 2.35 5.85 -1.95 0.39 115.31 122.02 1lk5 h LEU 191 Ca 0.35 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.02 1lk5 h LEU 191 Cb 0.49 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1lk5 h LEU 191 CO -0.36 0.04 -0.37 0.44 -0.34 0.00 0.00 178.44 177.85 1lk5 h ASP 192 N 0.12 0.00 -0.02 1.25 3.32 -1.95 -2.44 116.42 116.70 1lk5 h ASP 192 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1lk5 h ASP 192 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1lk5 h ASP 192 CO -0.10 0.37 -0.47 -0.03 -1.72 0.00 0.00 179.24 177.28 1lk5 h MET 193 N 0.00 0.58 -0.84 3.56 4.05 -0.79 0.13 114.93 121.62 1lk5 h MET 193 Ca -0.00 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1lk5 h MET 193 Cb 1.15 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.93 1lk5 h MET 193 CO 0.05 0.93 0.52 1.49 0.23 0.00 0.00 176.91 180.12 1lk5 h GLU 194 N 0.46 1.14 0.02 0.39 4.81 -0.68 -0.68 114.58 120.04 1lk5 h GLU 194 Ca 0.03 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1lk5 h GLU 194 Cb 1.00 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1lk5 h GLU 194 CO 0.09 0.79 -0.01 0.82 -0.73 0.00 0.00 179.01 179.97 1lk5 h ILE 195 N 1.16 1.27 -0.68 2.32 2.04 -1.28 -2.44 117.51 119.88 1lk5 h ILE 195 Ca 0.30 -0.90 0.13 0.00 1.00 0.00 0.00 64.86 65.40 1lk5 h ILE 195 Cb -0.06 1.87 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 1lk5 h ILE 195 CO -0.06 0.23 0.19 -0.08 0.00 0.00 0.00 178.15 178.43 1lk5 h GLU 196 N -0.42 0.30 -0.37 2.37 4.57 -0.71 -0.74 114.58 119.58 1lk5 h GLU 196 Ca -0.00 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 1lk5 h GLU 196 Cb 0.40 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1lk5 h GLU 196 CO 0.00 0.20 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.72 1lk5 h LEU 197 N 0.31 0.76 -0.67 1.64 3.38 -1.09 -2.21 115.31 117.42 1lk5 h LEU 197 Ca 0.37 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1lk5 h LEU 197 Cb 0.58 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1lk5 h LEU 197 CO -0.44 0.97 0.00 0.78 0.09 0.00 0.00 178.44 179.84 1lk5 h ASN 198 N 0.65 0.00 0.23 -0.43 2.35 -0.72 -2.55 115.58 115.11 1lk5 h ASN 198 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1lk5 h ASN 198 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1lk5 h ASN 198 CO 0.06 0.00 -0.13 0.35 -1.65 0.00 0.00 177.43 176.06 1lk5 n THR 199 N -2.34 0.00 -2.88 2.81 -2.24 -0.41 -4.82 114.28 104.40 1lk5 n THR 199 Ca 0.02 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1lk5 n THR 199 Cb 0.27 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1lk5 n THR 199 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1lk5 s ILE 200 N -2.37 4.75 0.08 2.28 1.01 -0.96 -4.99 121.20 121.00 1lk5 s ILE 200 Ca 0.30 1.37 -0.33 0.00 0.00 0.00 0.00 60.65 61.99 1lk5 s ILE 200 Cb 0.20 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 1lk5 s ILE 200 CO 0.46 -0.25 1.72 -2.65 0.00 0.00 0.00 174.94 174.22 1lk5 n PRO 201 N 6.28 2.29 0.00 2.79 -0.02 -1.26 -1.68 135.00 143.40 1lk5 n PRO 201 Ca 0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1lk5 n PRO 201 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1lk5 n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lk5 n GLY 202 N 3.88 2.08 3.68 -1.23 0.00 -1.26 -4.99 105.19 107.35 1lk5 n GLY 202 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1lk5 n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lk5 s VAL 203 N -2.03 4.78 -0.11 1.61 1.01 -0.67 -1.00 120.40 123.98 1lk5 s VAL 203 Ca 0.00 2.03 -0.23 0.00 0.00 0.00 0.00 61.98 63.79 1lk5 s VAL 203 Cb 0.00 -4.31 -0.27 0.00 0.00 0.00 0.00 36.38 31.80 1lk5 s VAL 203 CO 0.00 -0.01 0.67 0.40 0.00 0.00 0.00 175.10 176.16 1lk5 h ILE 204 N 5.13 1.40 -2.07 2.22 1.08 -1.23 -3.48 117.51 120.56 1lk5 h ILE 204 Ca -0.30 -2.39 0.13 0.00 -0.39 0.00 0.00 64.86 61.91 1lk5 h ILE 204 Cb 1.14 3.00 -0.17 0.00 -3.07 0.00 0.00 36.82 37.72 1lk5 h ILE 204 CO 0.87 0.62 0.56 -0.70 -0.69 0.00 0.00 178.15 178.80 1lk5 s GLU 205 N -2.37 0.71 0.17 2.37 2.56 -1.20 -5.03 118.70 115.91 1lk5 s GLU 205 Ca -0.19 -0.23 0.07 0.00 0.00 0.00 0.00 54.97 54.62 1lk5 s GLU 205 Cb 0.01 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.43 1lk5 s GLU 205 CO 0.74 -0.30 -0.14 0.54 -0.56 0.00 0.00 175.26 175.53 1lk5 s ASN 206 N -2.30 2.30 0.00 -1.70 2.20 -1.26 -1.28 114.94 112.90 1lk5 s ASN 206 Ca 0.05 -0.95 0.23 0.00 -0.94 0.00 0.00 52.86 51.26 1lk5 s ASN 206 Cb -0.01 -0.10 1.40 0.00 -2.00 0.00 0.00 41.25 40.54 1lk5 s ASN 206 CO -0.07 -0.17 1.89 0.61 -2.94 0.00 0.00 177.10 176.41 1lk5 n GLY 207 N -0.03 -0.98 3.67 0.45 0.00 0.61 -4.74 105.19 104.16 1lk5 n GLY 207 Ca -0.11 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1lk5 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lk5 s ILE 208 N -2.00 4.68 -0.72 -0.61 1.01 -1.26 -0.45 121.20 121.85 1lk5 s ILE 208 Ca 0.35 2.00 0.01 0.00 0.00 0.00 0.00 60.65 63.01 1lk5 s ILE 208 Cb 0.16 -4.29 0.18 0.00 0.01 0.00 0.00 42.46 38.52 1lk5 s ILE 208 CO 0.27 -0.12 0.54 -0.36 0.00 0.00 0.00 174.94 175.26 1lk5 s PHE 209 N 2.86 3.58 0.02 3.97 0.40 -0.10 -4.92 117.98 123.78 1lk5 s PHE 209 Ca 0.46 -3.10 -0.03 0.00 -0.60 0.00 0.00 56.93 53.66 1lk5 s PHE 209 Cb -0.16 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.33 1lk5 s PHE 209 CO 0.10 -0.69 0.22 0.00 0.70 0.00 0.00 175.22 175.54 1lk5 s ALA 210 N -0.97 3.94 -1.39 5.36 0.00 -1.26 -1.60 121.76 125.84 1lk5 s ALA 210 Ca 0.23 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1lk5 s ALA 210 Cb -0.12 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.12 1lk5 s ALA 210 CO -0.10 0.74 0.89 -3.47 0.00 0.00 0.00 175.76 173.83 1lk5 n ASP 211 N 0.77 -3.27 0.00 0.00 2.03 -1.26 -4.81 116.55 110.01 1lk5 n ASP 211 Ca -0.09 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1lk5 n ASP 211 Cb 0.52 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 1lk5 n ASP 211 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lk5 n ILE 212 N -4.51 0.00 -2.21 5.18 3.06 -1.26 -5.08 119.36 114.54 1lk5 n ILE 212 Ca -0.13 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.71 1lk5 n ILE 212 Cb 0.60 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.76 1lk5 n ILE 212 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1lk5 s ALA 213 N -1.00 3.50 -0.25 1.51 0.00 -1.26 -4.57 121.76 119.69 1lk5 s ALA 213 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 1lk5 s ALA 213 Cb 0.00 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 1lk5 s ALA 213 CO 0.00 -0.53 -0.26 -0.25 0.00 0.00 0.00 175.76 174.72 1lk5 n ASP 214 N 1.69 2.01 -3.92 0.00 8.00 -0.03 -4.83 116.55 119.46 1lk5 n ASP 214 Ca 0.03 0.05 -0.15 0.00 0.71 0.00 0.00 54.79 55.42 1lk5 n ASP 214 Cb 0.43 -0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 40.85 1lk5 n ASP 214 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lk5 s ILE 215 N -2.47 0.30 -0.20 0.53 1.01 -1.03 -3.52 121.20 115.81 1lk5 s ILE 215 Ca -0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1lk5 s ILE 215 Cb 0.10 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.31 1lk5 s ILE 215 CO 0.51 0.10 -0.13 -0.69 0.00 0.00 0.00 174.94 174.73 1lk5 s VAL 216 N 0.05 2.67 -0.31 2.92 1.01 0.06 -0.61 120.40 126.19 1lk5 s VAL 216 Ca -0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1lk5 s VAL 216 Cb -0.03 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1lk5 s VAL 216 CO -0.00 0.49 0.21 -0.63 0.00 0.00 0.00 175.10 175.16 1lk5 s ILE 217 N 1.35 5.20 -0.18 2.22 1.01 0.76 -0.92 121.20 130.65 1lk5 s ILE 217 Ca 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1lk5 s ILE 217 Cb -0.14 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1lk5 s ILE 217 CO -0.08 0.09 -0.04 -0.69 0.00 0.00 0.00 174.94 174.22 1lk5 s VAL 218 N 1.72 3.65 -0.34 2.92 1.01 0.14 -1.47 120.40 128.04 1lk5 s VAL 218 Ca 0.06 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1lk5 s VAL 218 Cb -0.17 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1lk5 s VAL 218 CO 0.10 0.46 0.75 -0.83 0.00 0.00 0.00 175.10 175.58 1lk5 s GLY 219 N 0.83 1.69 0.35 4.51 0.00 0.81 -1.08 107.32 114.44 1lk5 s GLY 219 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.20 1lk5 s GLY 219 CO 0.02 1.69 0.04 -0.51 0.00 0.00 0.00 173.10 174.34 1lk5 s THR 220 N 2.96 2.57 -1.42 0.90 -4.23 -0.01 -0.71 115.64 115.70 1lk5 s THR 220 Ca 0.30 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.95 1lk5 s THR 220 Cb -0.14 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 70.95 1lk5 s THR 220 CO 0.15 -0.16 1.02 0.54 -0.54 0.00 0.00 174.62 175.62 1lk5 n ARG 221 N -1.01 0.07 -0.19 3.99 1.74 -1.26 -1.25 116.66 118.76 1lk5 n ARG 221 Ca -0.04 0.24 0.08 0.00 -0.77 0.00 0.00 57.85 57.36 1lk5 n ARG 221 Cb 0.63 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.68 1lk5 n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1lk5 n GLU 222 N -1.29 1.02 0.00 5.56 1.02 -1.26 -4.46 120.64 121.23 1lk5 n GLU 222 Ca 0.03 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.89 1lk5 n GLU 222 Cb 0.04 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1lk5 n GLU 222 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lk5 n GLY 223 N -1.12 -0.43 3.76 0.62 0.00 -0.38 -5.02 105.19 102.62 1lk5 n GLY 223 Ca 0.13 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1lk5 n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lk5 s VAL 224 N 0.00 4.46 0.05 1.61 1.01 -1.26 -0.83 120.40 125.44 1lk5 s VAL 224 Ca 0.00 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1lk5 s VAL 224 Cb 0.00 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1lk5 s VAL 224 CO 0.00 0.46 -0.08 -0.75 0.00 0.00 0.00 175.10 174.72 1lk5 s LYS 225 N -0.73 0.61 0.23 2.72 2.20 -0.24 -4.97 119.74 119.56 1lk5 s LYS 225 Ca 0.38 -0.86 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 1lk5 s LYS 225 Cb -0.23 -0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 35.70 1lk5 s LYS 225 CO 0.26 0.06 -0.13 0.15 -0.36 0.00 0.00 175.35 175.33 1lk5 s LYS 226 N -1.92 1.42 0.01 4.03 1.02 -1.26 0.26 119.74 123.30 1lk5 s LYS 226 Ca -0.06 -1.65 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1lk5 s LYS 226 Cb -0.08 -1.19 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 1lk5 s LYS 226 CO -0.00 0.16 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.04 1lk5 s LEU 227 N -3.37 2.08 0.04 3.17 1.43 -0.09 -4.97 118.68 116.97 1lk5 s LEU 227 Ca 0.25 -0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1lk5 s LEU 227 Cb -0.00 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 46.09 1lk5 s LEU 227 CO 0.09 -0.04 0.35 -0.70 0.23 0.00 0.00 176.35 176.28 1lk5 s GLU 228 N -0.51 0.85 0.00 1.70 2.12 -1.26 -0.76 118.70 120.84 1lk5 s GLU 228 Ca -0.03 -0.42 0.30 0.00 0.36 0.00 0.00 54.97 55.19 1lk5 s GLU 228 Cb -0.04 0.38 1.59 0.00 0.26 0.00 0.00 34.13 36.31 1lk5 s GLU 228 CO -0.00 -0.28 2.05 0.54 -0.54 0.00 0.00 175.26 177.03