#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lk5 n ASN 2 N 0.00 -3.94 0.03 6.12 0.23 -1.26 -4.75 115.26 111.69 1lk5 n ASN 2 Ca 0.00 -0.87 -0.13 0.00 -0.53 0.00 0.00 54.58 53.05 1lk5 n ASN 2 Cb 0.00 -0.96 -0.08 0.00 -2.08 0.00 0.00 39.78 36.66 1lk5 n ASN 2 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1lk5 h VAL 3 N -3.52 1.15 -0.75 3.53 2.07 -2.00 -1.90 116.25 114.83 1lk5 h VAL 3 Ca -0.38 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1lk5 h VAL 3 Cb 1.27 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1lk5 h VAL 3 CO 0.23 0.14 0.41 -0.33 0.02 0.00 0.00 177.57 178.04 1lk5 h GLU 4 N -0.28 1.04 -0.70 1.57 3.07 -1.99 -0.98 114.58 116.31 1lk5 h GLU 4 Ca -0.00 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.70 1lk5 h GLU 4 Cb 0.26 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1lk5 h GLU 4 CO 0.01 0.77 0.26 0.93 -1.40 0.00 0.00 179.01 179.58 1lk5 h GLU 5 N 1.05 1.05 -0.58 2.33 5.08 -1.91 -0.52 114.58 121.09 1lk5 h GLU 5 Ca 0.27 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1lk5 h GLU 5 Cb 0.03 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1lk5 h GLU 5 CO -0.04 0.88 0.32 0.52 -1.00 0.00 0.00 179.01 179.69 1lk5 h MET 6 N 1.00 0.80 -0.34 2.33 2.86 -0.56 -1.10 114.93 119.92 1lk5 h MET 6 Ca 0.23 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1lk5 h MET 6 Cb 0.24 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1lk5 h MET 6 CO -0.02 0.60 0.17 0.87 1.06 0.00 0.00 176.91 179.59 1lk5 h LYS 7 N 0.78 0.49 -0.77 1.72 1.57 -0.85 -2.56 116.57 116.94 1lk5 h LYS 7 Ca 0.20 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1lk5 h LYS 7 Cb 0.03 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1lk5 h LYS 7 CO -0.03 0.44 0.44 0.87 -0.57 0.00 0.00 179.45 180.59 1lk5 h LYS 8 N 0.41 1.07 -0.38 3.15 1.57 -0.79 -1.33 116.57 120.27 1lk5 h LYS 8 Ca 0.12 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1lk5 h LYS 8 Cb 0.11 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1lk5 h LYS 8 CO -0.02 0.78 -0.08 0.97 -0.57 0.00 0.00 179.45 180.53 1lk5 h ILE 9 N 1.06 1.24 -0.28 1.86 2.10 -1.08 -1.22 117.51 121.20 1lk5 h ILE 9 Ca 0.27 -1.04 -0.05 0.00 1.08 0.00 0.00 64.86 65.13 1lk5 h ILE 9 Cb 0.01 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.76 1lk5 h ILE 9 CO -0.05 0.35 -0.02 0.00 -1.08 0.00 0.00 178.15 177.36 1lk5 h ALA 10 N 1.32 0.37 -0.75 0.18 0.00 -1.02 -2.09 119.26 117.28 1lk5 h ALA 10 Ca 0.11 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1lk5 h ALA 10 Cb 0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1lk5 h ALA 10 CO 0.03 0.13 0.48 0.00 0.00 0.00 0.00 179.25 179.89 1lk5 h ALA 11 N 0.81 0.97 -0.54 0.00 0.00 -1.01 -1.65 119.26 117.83 1lk5 h ALA 11 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1lk5 h ALA 11 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1lk5 h ALA 11 CO 0.02 0.30 0.21 0.87 0.00 0.00 0.00 179.25 180.64 1lk5 h LYS 12 N 0.95 0.82 -0.93 0.00 1.57 -1.14 -2.68 116.57 115.16 1lk5 h LYS 12 Ca 0.29 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1lk5 h LYS 12 Cb -0.02 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 1lk5 h LYS 12 CO -0.10 0.72 0.56 1.49 -0.57 0.00 0.00 179.45 181.56 1lk5 h GLU 13 N 0.74 1.27 -0.71 3.15 4.57 -1.04 -2.52 114.58 120.04 1lk5 h GLU 13 Ca 0.18 -0.12 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1lk5 h GLU 13 Cb 0.21 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 1lk5 h GLU 13 CO -0.01 0.89 0.46 0.00 -1.18 0.00 0.00 179.01 179.17 1lk5 h ALA 14 N 1.33 1.80 -0.35 2.92 0.00 -0.96 -1.32 119.26 122.69 1lk5 h ALA 14 Ca 0.33 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.33 1lk5 h ALA 14 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1lk5 h ALA 14 CO -0.06 0.07 0.31 -0.07 0.00 0.00 0.00 179.25 179.50 1lk5 h LEU 15 N 0.65 0.00 -1.73 0.00 3.38 -1.35 -0.51 115.31 115.76 1lk5 h LEU 15 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1lk5 h LEU 15 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1lk5 h LEU 15 CO -0.11 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.53 1lk5 h LYS 16 N 0.00 0.00 -0.02 1.13 1.57 -1.36 -2.40 116.57 115.49 1lk5 h LYS 16 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1lk5 h LYS 16 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1lk5 h LYS 16 CO -0.00 0.00 -0.21 1.19 -0.57 0.00 0.00 179.45 179.86 1lk5 n PHE 17 N -2.75 0.00 -3.81 -1.35 3.01 -0.20 -4.91 117.46 107.45 1lk5 n PHE 17 Ca -0.00 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 1lk5 n PHE 17 Cb 0.17 -0.02 -0.08 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.24 5.32 0.28 4.37 -1.09 -0.90 -5.04 121.20 121.89 1lk5 s ILE 18 Ca 0.25 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.87 1lk5 s ILE 18 Cb 0.19 -3.40 -0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1lk5 s ILE 18 CO 0.43 0.48 0.00 -1.61 -1.23 0.00 0.00 174.94 173.02 1lk5 s GLU 19 N 0.09 1.51 0.58 2.79 2.02 -1.26 -5.02 118.70 119.40 1lk5 s GLU 19 Ca 0.09 -1.79 -0.19 0.00 0.02 0.00 0.00 54.97 53.10 1lk5 s GLU 19 Cb -0.11 -0.85 -0.06 0.00 0.10 0.00 0.00 34.13 33.21 1lk5 s GLU 19 CO -0.01 -0.09 0.92 -0.25 0.02 0.00 0.00 175.26 175.85 1lk5 n ASP 20 N -0.56 0.60 -3.28 -0.19 8.00 -1.26 -3.39 116.55 116.47 1lk5 n ASP 20 Ca -0.04 0.82 -0.18 0.00 0.71 0.00 0.00 54.79 56.10 1lk5 n ASP 20 Cb 0.65 -1.36 0.08 0.00 -0.02 0.00 0.00 41.12 40.47 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 -0.52 -3.42 -4.41 -2.24 8.00 -0.86 -5.01 116.55 108.08 1lk5 n ASP 21 Ca 0.13 -0.55 -0.29 0.00 0.71 0.00 0.00 54.79 54.80 1lk5 n ASP 21 Cb 0.47 -4.73 -0.13 0.00 -0.02 0.00 0.00 41.12 36.71 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 -5.58 1.49 -0.26 -1.24 -1.94 -1.16 -5.02 119.30 105.58 1lk5 s MET 22 Ca 0.19 -1.33 -0.08 0.00 -1.71 0.00 0.00 55.69 52.76 1lk5 s MET 22 Cb -0.08 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 1lk5 s MET 22 CO 0.67 0.45 0.10 0.08 -0.01 0.00 0.00 175.02 176.31 1lk5 s VAL 23 N -1.12 4.55 -0.18 -6.03 1.01 -1.26 -2.29 120.40 115.08 1lk5 s VAL 23 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1lk5 s VAL 23 Cb -0.10 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1lk5 s VAL 23 CO 0.07 0.32 -0.12 -0.63 0.00 0.00 0.00 175.10 174.74 1lk5 s ILE 24 N 1.64 2.89 0.02 2.22 1.01 0.36 -1.49 121.20 127.85 1lk5 s ILE 24 Ca 0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1lk5 s ILE 24 Cb -0.15 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.00 1lk5 s ILE 24 CO 0.05 0.49 1.39 -0.83 0.00 0.00 0.00 174.94 176.04 1lk5 s GLY 25 N 1.03 1.91 -0.37 6.18 0.00 0.39 -0.60 107.32 115.87 1lk5 s GLY 25 Ca -0.01 0.92 -0.12 0.00 0.00 0.00 0.00 44.72 45.51 1lk5 s GLY 25 CO -0.02 2.46 0.23 1.08 0.00 0.00 0.00 173.10 176.85 1lk5 s LEU 26 N 2.11 4.69 1.15 0.66 1.43 -0.26 -1.39 118.68 127.07 1lk5 s LEU 26 Ca 0.64 -0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 1lk5 s LEU 26 Cb -0.32 -2.08 0.26 0.00 0.03 0.00 0.00 46.19 44.08 1lk5 s LEU 26 CO 0.27 -0.34 1.12 -0.83 0.23 0.00 0.00 176.35 176.80 1lk5 s GLY 27 N 1.64 1.59 0.04 -3.19 0.00 0.91 -1.46 107.32 106.86 1lk5 s GLY 27 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1lk5 s GLY 27 CO 0.08 -0.04 -0.19 -1.59 0.00 0.00 0.00 173.10 171.36 1lk5 s THR 28 N -3.06 2.71 0.00 0.90 2.01 -1.26 -4.59 115.64 112.35 1lk5 s THR 28 Ca 0.70 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1lk5 s THR 28 Cb -0.11 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1lk5 s THR 28 CO 0.56 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.43 1lk5 n GLY 29 N 1.55 1.92 0.34 4.40 0.00 -1.26 -4.26 105.19 107.88 1lk5 n GLY 29 Ca -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.73 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 1.06 -0.26 1.61 4.64 -1.99 -0.69 113.55 117.92 1lk5 h SER 30 Ca 0.00 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1lk5 h SER 30 Cb 0.00 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1lk5 h SER 30 CO 0.00 0.89 -0.03 0.74 -0.87 0.00 0.00 176.83 177.56 1lk5 h THR 31 N 1.15 1.27 0.00 2.95 2.02 -1.92 -2.82 112.91 115.56 1lk5 h THR 31 Ca 0.28 -0.98 -0.07 0.00 0.77 0.00 0.00 66.41 66.40 1lk5 h THR 31 Cb 0.10 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1lk5 h THR 31 CO -0.04 0.31 -0.35 0.74 0.37 0.00 0.00 175.52 176.55 1lk5 h THR 32 N 0.24 0.88 -0.56 3.16 2.02 -1.81 -2.80 112.91 114.05 1lk5 h THR 32 Ca 0.07 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1lk5 h THR 32 Cb 0.47 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1lk5 h THR 32 CO 0.02 0.35 0.35 0.00 0.37 0.00 0.00 175.52 176.61 1lk5 h ALA 33 N 1.65 1.57 -0.61 6.16 0.00 -0.87 0.46 119.26 127.62 1lk5 h ALA 33 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1lk5 h ALA 33 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1lk5 h ALA 33 CO 0.05 0.39 0.23 1.88 0.00 0.00 0.00 179.25 181.79 1lk5 h TYR 34 N 0.76 0.94 -0.61 0.00 0.99 -1.37 -1.49 116.97 116.19 1lk5 h TYR 34 Ca 0.20 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 1lk5 h TYR 34 Cb -0.06 -0.28 -0.03 0.00 1.00 0.00 0.00 36.73 37.37 1lk5 h TYR 34 CO 0.00 0.76 0.28 0.35 -0.00 0.00 0.00 178.16 179.55 1lk5 h PHE 35 N 0.85 0.89 -0.52 4.88 3.57 -1.20 -1.00 116.94 124.42 1lk5 h PHE 35 Ca 0.20 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1lk5 h PHE 35 Cb 0.23 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1lk5 h PHE 35 CO 0.01 0.68 0.16 0.82 -2.23 0.00 0.00 178.31 177.76 1lk5 h ILE 36 N 0.84 1.23 -0.36 1.41 2.04 -0.68 0.64 117.51 122.63 1lk5 h ILE 36 Ca 0.21 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1lk5 h ILE 36 Cb 0.14 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1lk5 h ILE 36 CO -0.02 0.29 0.22 0.11 0.00 0.00 0.00 178.15 178.74 1lk5 h LYS 37 N 0.71 0.49 -0.73 2.37 1.57 -1.08 0.15 116.57 120.05 1lk5 h LYS 37 Ca 0.17 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1lk5 h LYS 37 Cb 0.27 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1lk5 h LYS 37 CO -0.01 0.37 0.26 -0.07 -0.57 0.00 0.00 179.45 179.44 1lk5 h LEU 38 N 0.47 1.04 -0.81 2.94 3.38 -0.98 -1.36 115.31 119.99 1lk5 h LEU 38 Ca 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1lk5 h LEU 38 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1lk5 h LEU 38 CO -0.02 0.95 0.40 0.25 0.09 0.00 0.00 178.44 180.11 1lk5 h LEU 39 N 1.06 1.04 -0.75 1.67 5.85 -0.53 -1.05 115.31 122.61 1lk5 h LEU 39 Ca 0.24 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1lk5 h LEU 39 Cb 0.26 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1lk5 h LEU 39 CO -0.01 0.87 0.23 1.23 -0.34 0.00 0.00 178.44 180.42 1lk5 h GLY 40 N 1.13 1.26 0.90 3.75 0.00 -0.49 -1.39 103.07 108.23 1lk5 h GLY 40 Ca 0.28 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1lk5 h GLY 40 CO -0.04 0.70 0.06 0.83 0.00 0.00 0.00 176.54 178.09 1lk5 h GLU 41 N 1.12 0.54 -0.91 4.80 5.08 -0.93 -1.29 114.58 122.99 1lk5 h GLU 41 Ca 0.24 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1lk5 h GLU 41 Cb 0.31 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1lk5 h GLU 41 CO -0.01 0.62 0.60 0.87 -1.00 0.00 0.00 179.01 180.09 1lk5 h LYS 42 N 0.38 1.17 -0.34 2.33 1.57 -0.89 -1.42 116.57 119.37 1lk5 h LYS 42 Ca 0.10 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1lk5 h LYS 42 Cb 0.34 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1lk5 h LYS 42 CO 0.01 0.77 -0.04 1.25 -0.57 0.00 0.00 179.45 180.86 1lk5 h LEU 43 N 1.20 0.62 -0.68 2.94 5.85 -1.06 0.64 115.31 124.82 1lk5 h LEU 43 Ca 0.35 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1lk5 h LEU 43 Cb -0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1lk5 h LEU 43 CO -0.09 0.82 0.45 0.50 -0.34 0.00 0.00 178.44 179.77 1lk5 h LYS 44 N 0.42 0.90 0.00 1.25 1.63 -0.93 -2.38 116.57 117.46 1lk5 h LYS 44 Ca 0.09 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1lk5 h LYS 44 Cb 0.52 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1lk5 h LYS 44 CO 0.03 0.61 0.00 0.54 -3.45 0.00 0.00 179.45 177.17 1lk5 n ARG 45 N -4.60 0.15 -0.66 1.90 1.74 -0.56 -4.92 116.66 109.71 1lk5 n ARG 45 Ca 0.06 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1lk5 n ARG 45 Cb 0.02 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 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 1.03 0.60 0.11 -0.13 0.00 -0.71 -4.95 105.19 101.14 1lk5 n GLY 46 Ca 0.05 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1lk5 n GLY 46 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lk5 h GLU 47 N 0.23 0.00 -3.63 1.61 5.08 -1.15 -3.45 114.58 113.28 1lk5 h GLU 47 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1lk5 h GLU 47 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1lk5 h GLU 47 CO 0.00 0.00 -0.55 0.96 -1.00 0.00 0.00 179.01 178.42 1lk5 s ILE 48 N -3.16 0.09 0.10 3.13 -4.36 -1.20 -5.00 121.20 110.80 1lk5 s ILE 48 Ca 0.08 -0.71 0.02 0.00 -0.26 0.00 0.00 60.65 59.78 1lk5 s ILE 48 Cb 0.11 -0.37 -0.04 0.00 1.25 0.00 0.00 42.46 43.41 1lk5 s ILE 48 CO 0.66 -0.39 -0.06 -0.94 0.24 0.00 0.00 174.94 174.45 1lk5 s SER 49 N -1.32 1.10 -1.21 4.36 1.04 -1.26 -4.42 113.70 112.00 1lk5 s SER 49 Ca -0.14 -1.02 -0.02 0.00 0.48 0.00 0.00 55.95 55.25 1lk5 s SER 49 Cb -0.08 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1lk5 s SER 49 CO 0.01 -0.48 0.89 -0.67 0.98 0.00 0.00 173.24 173.97 1lk5 n ASP 50 N -0.04 -2.63 -4.68 7.02 2.03 -1.26 -2.04 116.55 114.95 1lk5 n ASP 50 Ca -0.12 -0.71 -0.35 0.00 0.52 0.00 0.00 54.79 54.14 1lk5 n ASP 50 Cb 0.61 -4.75 -0.09 0.00 -0.72 0.00 0.00 41.12 36.16 1lk5 n ASP 50 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1lk5 s ILE 51 N -3.46 4.26 -0.03 5.18 -1.09 -1.26 -2.13 121.20 122.67 1lk5 s ILE 51 Ca 0.09 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 1lk5 s ILE 51 Cb -0.02 -2.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.06 1lk5 s ILE 51 CO 0.76 0.58 -0.14 -0.69 -1.23 0.00 0.00 174.94 174.22 1lk5 s VAL 52 N -0.90 1.19 -0.02 2.92 1.01 -0.97 -4.38 120.40 119.25 1lk5 s VAL 52 Ca 0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1lk5 s VAL 52 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1lk5 s VAL 52 CO 0.03 0.35 0.13 -0.83 0.00 0.00 0.00 175.10 174.78 1lk5 s GLY 53 N 0.05 2.11 -0.33 4.51 0.00 0.73 -0.49 107.32 113.90 1lk5 s GLY 53 Ca -0.03 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.94 1lk5 s GLY 53 CO 0.01 -0.66 0.03 0.14 0.00 0.00 0.00 173.10 172.62 1lk5 s VAL 54 N -1.23 2.24 0.26 1.40 1.01 0.23 -0.64 120.40 123.67 1lk5 s VAL 54 Ca 0.24 -2.24 -0.30 0.00 0.00 0.00 0.00 61.98 59.69 1lk5 s VAL 54 Cb -0.12 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 1lk5 s VAL 54 CO 0.15 -0.52 1.13 -2.16 0.00 0.00 0.00 175.10 173.70 1lk5 s PRO 55 N 0.94 4.59 0.00 2.72 0.04 -1.26 -1.10 135.00 140.93 1lk5 s PRO 55 Ca 0.08 1.83 0.28 0.00 0.04 0.00 0.00 61.00 63.24 1lk5 s PRO 55 Cb -0.19 -3.20 1.09 0.00 0.04 0.00 0.00 34.50 32.24 1lk5 s PRO 55 CO -0.08 0.12 1.77 0.25 0.04 0.00 0.00 177.00 179.10 1lk5 n THR 56 N 1.52 0.01 -3.64 1.26 -2.24 -0.53 -4.90 114.28 105.76 1lk5 n THR 56 Ca 0.00 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 1lk5 n THR 56 Cb 0.45 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.98 -0.23 0.36 3.42 1.04 -1.26 -4.11 113.70 110.94 1lk5 s SER 57 Ca 0.38 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.66 1lk5 s SER 57 Cb 0.21 0.40 0.69 0.00 0.10 0.00 0.00 66.02 67.42 1lk5 s SER 57 CO 0.33 -0.70 1.95 1.88 0.98 0.00 0.00 173.24 177.68 1lk5 h TYR 58 N 2.00 0.55 -0.07 5.02 0.99 -1.98 -1.13 116.97 122.36 1lk5 h TYR 58 Ca -0.23 -0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.50 1lk5 h TYR 58 Cb 1.23 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 38.76 1lk5 h TYR 58 CO 0.32 0.46 -0.08 0.37 -0.00 0.00 0.00 178.16 179.24 1lk5 h GLN 59 N 0.55 -0.10 -0.50 4.88 -0.00 -1.97 0.16 115.11 118.13 1lk5 h GLN 59 Ca 0.13 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.75 1lk5 h GLN 59 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.65 1lk5 h GLN 59 CO -0.01 -0.07 0.14 0.00 0.00 0.00 0.00 178.83 178.90 1lk5 h ALA 60 N 0.94 0.65 -0.15 3.38 0.00 -1.76 -1.75 119.26 120.57 1lk5 h ALA 60 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1lk5 h ALA 60 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1lk5 h ALA 60 CO -0.13 0.32 0.07 -0.22 0.00 0.00 0.00 179.25 179.29 1lk5 h LYS 61 N 0.67 0.22 -0.64 0.00 3.64 -0.89 -0.14 116.57 119.45 1lk5 h LYS 61 Ca 0.16 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1lk5 h LYS 61 Cb 0.29 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1lk5 h LYS 61 CO -0.00 0.28 0.09 -0.07 -2.27 0.00 0.00 179.45 177.48 1lk5 h LEU 62 N 0.12 1.01 -0.41 5.20 3.38 -0.65 -1.29 115.31 122.66 1lk5 h LEU 62 Ca 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1lk5 h LEU 62 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1lk5 h LEU 62 CO -0.01 1.01 0.08 0.25 0.09 0.00 0.00 178.44 179.87 1lk5 h LEU 63 N 0.98 0.63 -0.80 1.67 5.85 -1.13 -0.88 115.31 121.62 1lk5 h LEU 63 Ca 0.19 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1lk5 h LEU 63 Cb 0.44 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1lk5 h LEU 63 CO 0.01 0.71 0.52 0.00 -0.34 0.00 0.00 178.44 179.34 1lk5 h ALA 64 N 0.94 1.05 -0.46 1.25 0.00 -0.74 -1.68 119.26 119.62 1lk5 h ALA 64 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lk5 h ALA 64 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1lk5 h ALA 64 CO 0.00 0.35 0.25 0.82 0.00 0.00 0.00 179.25 180.68 1lk5 h ILE 65 N 1.02 1.17 -0.57 0.00 2.04 -0.94 0.62 117.51 120.84 1lk5 h ILE 65 Ca 0.32 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1lk5 h ILE 65 Cb -0.02 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1lk5 h ILE 65 CO -0.10 0.18 0.38 -0.33 0.00 0.00 0.00 178.15 178.27 1lk5 h GLU 66 N 0.60 0.61 -0.65 2.37 5.08 -0.80 -1.82 114.58 119.98 1lk5 h GLU 66 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1lk5 h GLU 66 Cb 0.06 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1lk5 h GLU 66 CO -0.03 0.40 0.00 0.72 -1.00 0.00 0.00 179.01 179.11 1lk5 n HIS 67 N -4.47 1.43 -2.18 4.33 8.25 -0.66 -4.95 115.22 116.96 1lk5 n HIS 67 Ca 0.07 -0.56 -0.21 0.00 -0.26 0.00 0.00 57.72 56.76 1lk5 n HIS 67 Cb 0.16 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 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 1.01 -5.75 -4.68 0.41 8.00 -0.44 -4.72 116.55 110.39 1lk5 n ASP 68 Ca 0.24 0.12 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 1lk5 n ASP 68 Cb 0.86 -4.84 -0.05 0.00 -0.02 0.00 0.00 41.12 37.07 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 -2.96 4.96 0.30 0.53 1.01 0.08 -5.01 121.20 120.12 1lk5 s ILE 69 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.81 1lk5 s ILE 69 Cb 0.00 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 1lk5 s ILE 69 CO 0.00 0.11 1.36 -2.65 0.00 0.00 0.00 174.94 173.76 1lk5 n PRO 70 N 4.80 2.15 -4.45 2.79 -0.02 -1.26 -4.44 135.00 134.57 1lk5 n PRO 70 Ca 0.01 0.76 -0.24 0.00 -2.02 0.00 0.00 63.50 62.01 1lk5 n PRO 70 Cb 0.50 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 1lk5 n PRO 70 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lk5 s ILE 71 N -0.61 1.64 0.06 4.25 -1.09 -1.26 -0.20 121.20 123.98 1lk5 s ILE 71 Ca 0.61 -1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 57.57 1lk5 s ILE 71 Cb -0.59 -1.46 0.01 0.00 -1.58 0.00 0.00 42.46 38.84 1lk5 s ILE 71 CO 0.56 0.06 0.25 0.00 -1.23 0.00 0.00 174.94 174.59 1lk5 s ALA 72 N -0.98 -0.50 0.54 9.38 0.00 0.18 -4.88 121.76 125.50 1lk5 s ALA 72 Ca 0.06 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.69 1lk5 s ALA 72 Cb -0.09 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1lk5 s ALA 72 CO 0.03 -0.43 0.95 -1.12 0.00 0.00 0.00 175.76 175.18 1lk5 s SER 73 N -2.28 6.38 0.24 0.00 0.01 -1.26 -4.21 113.70 112.58 1lk5 s SER 73 Ca -0.02 1.35 -0.05 0.00 1.31 0.00 0.00 55.95 58.53 1lk5 s SER 73 Cb 0.00 -2.43 0.34 0.00 0.21 0.00 0.00 66.02 64.14 1lk5 s SER 73 CO -0.06 -0.69 1.84 0.25 0.41 0.00 0.00 173.24 175.00 1lk5 h LEU 74 N 0.32 0.79 0.00 2.44 5.85 -1.94 0.34 115.31 123.11 1lk5 h LEU 74 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1lk5 h LEU 74 Cb 1.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1lk5 h LEU 74 CO 0.62 0.50 0.00 -0.90 -0.34 0.00 0.00 178.44 178.32 1lk5 n ASP 75 N -4.65 0.00 0.04 1.25 5.75 -1.26 -2.38 116.55 115.30 1lk5 n ASP 75 Ca 0.12 -0.73 0.06 0.00 -0.01 0.00 0.00 54.79 54.24 1lk5 n ASP 75 Cb 0.19 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.99 0.63 -4.02 0.11 6.02 0.10 -4.97 117.38 114.26 1lk5 n GLN 76 Ca 0.17 0.08 -0.22 0.00 -0.01 0.00 0.00 57.00 57.02 1lk5 n GLN 76 Cb 0.08 -1.73 -0.04 0.00 1.02 0.00 0.00 30.24 29.56 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 -3.20 4.04 -0.19 5.09 -7.23 -1.00 -4.97 120.40 112.94 1lk5 s VAL 77 Ca -0.04 -1.43 0.20 0.00 -1.81 0.00 0.00 61.98 58.91 1lk5 s VAL 77 Cb 0.10 -3.29 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 1lk5 s VAL 77 CO 0.83 -0.29 0.94 0.47 -0.31 0.00 0.00 175.10 176.74 1lk5 n ASP 78 N -1.23 0.82 -3.61 4.85 8.00 -1.26 -4.98 116.55 119.15 1lk5 n ASP 78 Ca -0.06 0.33 -0.07 0.00 0.71 0.00 0.00 54.79 55.71 1lk5 n ASP 78 Cb 0.59 0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 42.04 1lk5 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lk5 s ALA 79 N -3.21 -2.02 -0.35 2.24 0.00 -1.26 -5.12 121.76 112.03 1lk5 s ALA 79 Ca -0.02 1.73 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 1lk5 s ALA 79 Cb 0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 1lk5 s ALA 79 CO 0.80 -0.27 0.25 0.42 0.00 0.00 0.00 175.76 176.96 1lk5 s ILE 80 N -0.95 5.23 -0.04 0.00 -1.09 -1.26 -4.69 121.20 118.40 1lk5 s ILE 80 Ca 0.03 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 57.88 1lk5 s ILE 80 Cb -0.01 -3.73 -0.19 0.00 -1.58 0.00 0.00 42.46 36.95 1lk5 s ILE 80 CO -0.03 -0.07 1.06 0.44 -1.23 0.00 0.00 174.94 175.10 1lk5 h ASP 81 N 8.51 -0.11 -3.72 3.58 3.32 -1.60 -0.92 116.42 125.48 1lk5 h ASP 81 Ca -0.30 -0.44 -0.32 0.00 0.02 0.00 0.00 57.03 55.99 1lk5 h ASP 81 Cb 1.15 0.03 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 1lk5 h ASP 81 CO 0.65 0.44 -0.75 -0.69 -1.72 0.00 0.00 179.24 177.17 1lk5 s VAL 82 N -3.77 0.26 -0.08 -1.35 1.01 -1.18 -1.77 120.40 113.52 1lk5 s VAL 82 Ca -0.15 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1lk5 s VAL 82 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1lk5 s VAL 82 CO 0.58 0.11 -0.18 0.00 0.00 0.00 0.00 175.10 175.61 1lk5 s ALA 83 N 0.31 2.46 -0.10 5.51 0.00 0.02 -0.46 121.76 129.51 1lk5 s ALA 83 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1lk5 s ALA 83 Cb -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1lk5 s ALA 83 CO -0.01 0.42 -0.22 0.08 0.00 0.00 0.00 175.76 176.03 1lk5 s VAL 84 N -0.20 1.89 0.24 0.00 1.01 -0.49 -0.16 120.40 122.70 1lk5 s VAL 84 Ca -0.01 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1lk5 s VAL 84 Cb -0.13 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1lk5 s VAL 84 CO 0.03 0.52 0.66 -0.62 0.00 0.00 0.00 175.10 175.70 1lk5 s ASP 85 N 0.47 -0.32 0.19 3.32 3.68 -0.78 -0.06 116.67 123.17 1lk5 s ASP 85 Ca -0.16 -0.48 0.00 0.00 2.13 0.00 0.00 52.55 54.04 1lk5 s ASP 85 Cb -0.17 0.68 0.00 0.00 -1.45 0.00 0.00 42.92 41.98 1lk5 s ASP 85 CO 0.07 -1.23 0.03 0.61 0.13 0.00 0.00 175.17 174.78 1lk5 n GLY 86 N -0.43 1.41 3.37 2.66 0.00 -1.26 -0.12 105.19 110.83 1lk5 n GLY 86 Ca -0.07 -2.06 -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 -2.36 -1.24 -0.04 4.61 0.00 -1.26 -4.79 121.76 116.67 1lk5 s ALA 87 Ca 0.02 0.52 0.08 0.00 0.00 0.00 0.00 51.96 52.58 1lk5 s ALA 87 Cb -0.00 0.38 -0.24 0.00 0.00 0.00 0.00 23.12 23.26 1lk5 s ALA 87 CO 0.02 -0.50 0.66 -0.44 0.00 0.00 0.00 175.76 175.50 1lk5 h ASP 88 N 2.83 0.10 -4.21 0.00 3.32 -0.77 -3.48 116.42 114.20 1lk5 h ASP 88 Ca -0.31 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.39 1lk5 h ASP 88 Cb 1.21 -0.03 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 1lk5 h ASP 88 CO 0.42 1.18 -0.37 -1.61 -1.72 0.00 0.00 179.24 177.14 1lk5 s GLU 89 N -2.60 0.42 -0.12 3.56 2.02 -1.02 -4.72 118.70 116.24 1lk5 s GLU 89 Ca -0.08 0.18 -0.01 0.00 0.02 0.00 0.00 54.97 55.09 1lk5 s GLU 89 Cb 0.08 0.20 0.03 0.00 0.10 0.00 0.00 34.13 34.54 1lk5 s GLU 89 CO 0.82 -0.08 -0.05 0.08 0.02 0.00 0.00 175.26 176.04 1lk5 s VAL 90 N -0.34 0.93 0.74 2.63 1.01 0.66 -1.55 120.40 124.47 1lk5 s VAL 90 Ca -0.05 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1lk5 s VAL 90 Cb -0.03 -1.03 0.09 0.00 0.00 0.00 0.00 36.38 35.40 1lk5 s VAL 90 CO 0.01 0.26 1.05 1.51 0.00 0.00 0.00 175.10 177.93 1lk5 s ASP 91 N 1.74 4.54 0.47 3.32 3.84 -0.26 -1.02 116.67 129.30 1lk5 s ASP 91 Ca 0.04 0.32 0.32 0.00 -0.00 0.00 0.00 52.55 53.22 1lk5 s ASP 91 Cb -0.13 -0.86 1.66 0.00 -1.38 0.00 0.00 42.92 42.21 1lk5 s ASP 91 CO -0.08 -1.77 1.97 -0.65 -0.00 0.00 0.00 175.17 174.64 1lk5 h PRO 92 N -0.71 0.00 -0.60 2.11 0.11 -1.81 -1.40 132.00 129.69 1lk5 h PRO 92 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.55 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.43 1lk5 n ASN 93 N -2.64 3.22 -1.54 -2.05 3.02 -1.26 -4.93 115.26 109.08 1lk5 n ASN 93 Ca -0.02 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.40 1lk5 n ASN 93 Cb 0.09 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 38.85 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 1.26 -1.60 -4.85 3.41 4.77 -0.53 -4.90 117.00 114.56 1lk5 n LEU 94 Ca 0.20 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 1lk5 n LEU 94 Cb 0.51 -2.10 -0.06 0.00 -2.33 0.00 0.00 43.42 39.45 1lk5 n LEU 94 CO 0.14 -0.17 0.22 0.20 -1.33 0.00 0.00 177.39 176.45 1lk5 s ASN 95 N -2.40 6.79 0.25 -1.43 0.01 -1.26 -4.46 114.94 112.45 1lk5 s ASN 95 Ca 0.00 1.05 0.11 0.00 -0.71 0.00 0.00 52.86 53.31 1lk5 s ASN 95 Cb 0.00 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1lk5 s ASN 95 CO 0.00 0.09 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.73 1lk5 s LEU 96 N -2.04 2.56 -0.13 0.60 1.43 -0.23 -1.10 118.68 119.78 1lk5 s LEU 96 Ca 0.38 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1lk5 s LEU 96 Cb -0.15 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1lk5 s LEU 96 CO 0.19 0.01 -0.11 -0.63 0.23 0.00 0.00 176.35 176.04 1lk5 s ILE 97 N -2.48 3.29 0.16 -0.59 1.01 -0.60 -0.94 121.20 121.06 1lk5 s ILE 97 Ca 0.27 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1lk5 s ILE 97 Cb -0.05 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1lk5 s ILE 97 CO 0.12 0.53 -0.02 -0.54 0.00 0.00 0.00 174.94 175.03 1lk5 s LYS 98 N 0.20 1.07 0.00 2.79 1.02 0.19 0.03 119.74 125.03 1lk5 s LYS 98 Ca -0.06 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1lk5 s LYS 98 Cb -0.15 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 1lk5 s LYS 98 CO 0.04 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1lk5 n GLY 99 N -0.21 1.05 0.36 -3.33 0.00 -1.26 -4.31 105.19 97.49 1lk5 n GLY 99 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.68 -0.00 1.61 2.43 -1.94 0.94 114.38 118.10 1lk5 h ARG 100 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1lk5 h ARG 100 Cb 0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1lk5 h ARG 100 CO 0.00 0.45 -0.01 0.41 -1.51 0.00 0.00 179.97 179.31 1lk5 n GLY 101 N -1.45 -1.03 2.16 2.80 0.00 -1.26 -4.93 105.19 101.47 1lk5 n GLY 101 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.03 -0.01 -0.96 4.61 0.00 0.33 -4.93 120.51 118.51 1lk5 n ALA 102 Ca 0.20 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1lk5 n ALA 102 Cb 0.18 -0.39 0.29 0.00 0.00 0.00 0.00 19.45 19.52 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 1.02 3.16 -0.14 0.00 0.00 -1.26 -4.66 120.51 118.62 1lk5 n ALA 103 Ca -0.01 -2.21 0.19 0.00 0.00 0.00 0.00 53.44 51.41 1lk5 n ALA 103 Cb 0.10 -0.79 0.57 0.00 0.00 0.00 0.00 19.45 19.33 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 2.26 0.26 0.24 0.00 -0.00 -1.90 -2.22 115.31 113.95 1lk5 h LEU 104 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1lk5 h LEU 104 Cb 1.54 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.17 1lk5 h LEU 104 CO 0.27 0.12 -0.11 0.74 -0.00 0.00 0.00 178.44 179.46 1lk5 h THR 105 N 0.27 0.82 -0.28 0.15 2.02 -1.93 -1.25 112.91 112.70 1lk5 h THR 105 Ca 0.37 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1lk5 h THR 105 Cb 1.05 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1lk5 h THR 105 CO -0.09 0.14 -0.26 0.24 0.37 0.00 0.00 175.52 175.92 1lk5 h MET 106 N -0.69 0.56 -0.16 6.66 2.86 -1.78 -1.32 114.93 121.05 1lk5 h MET 106 Ca -0.03 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.43 1lk5 h MET 106 Cb 0.48 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1lk5 h MET 106 CO 0.05 0.77 -0.15 0.93 1.06 0.00 0.00 176.91 179.57 1lk5 h GLU 107 N 0.49 -0.16 -0.48 1.72 5.08 -1.35 -1.17 114.58 118.71 1lk5 h GLU 107 Ca 0.07 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1lk5 h GLU 107 Cb 0.71 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1lk5 h GLU 107 CO 0.05 -0.11 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.58 1lk5 h LYS 108 N -0.17 0.93 -0.66 2.33 3.64 -0.96 0.17 116.57 121.85 1lk5 h LYS 108 Ca 0.11 -0.36 0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1lk5 h LYS 108 Cb 0.32 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 1lk5 h LYS 108 CO -0.26 1.01 0.29 0.82 -2.27 0.00 0.00 179.45 179.04 1lk5 h ILE 109 N 0.82 0.81 0.16 2.00 2.04 -0.91 -0.55 117.51 121.88 1lk5 h ILE 109 Ca 0.12 -0.17 -0.26 0.00 1.00 0.00 0.00 64.86 65.54 1lk5 h ILE 109 Cb 0.70 0.26 0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1lk5 h ILE 109 CO 0.05 0.09 -1.25 0.40 0.00 0.00 0.00 178.15 177.45 1lk5 h ILE 110 N 0.51 1.25 0.00 -0.67 2.04 -1.00 -3.34 117.51 116.29 1lk5 h ILE 110 Ca 0.33 -2.53 -0.09 0.00 1.00 0.00 0.00 64.86 63.56 1lk5 h ILE 110 Cb 0.37 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1lk5 h ILE 110 CO -0.28 0.75 -0.45 -0.33 0.00 0.00 0.00 178.15 177.84 1lk5 h GLU 111 N -0.19 0.00 -0.26 2.37 5.08 -0.57 -2.66 114.58 118.34 1lk5 h GLU 111 Ca -0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1lk5 h GLU 111 Cb 1.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 1lk5 h GLU 111 CO 0.15 0.45 0.02 -0.92 -1.00 0.00 0.00 179.01 177.71 1lk5 h TYR 112 N 0.00 0.39 -0.24 4.33 3.20 -1.23 -2.57 116.97 120.84 1lk5 h TYR 112 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1lk5 h TYR 112 Cb 0.92 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1lk5 h TYR 112 CO 0.00 0.39 0.00 0.54 -1.64 0.00 0.00 178.16 177.45 1lk5 n ARG 113 N -4.34 2.07 -2.77 1.82 3.00 -1.01 -4.96 116.66 110.47 1lk5 n ARG 113 Ca 0.01 -1.61 -0.40 0.00 -0.01 0.00 0.00 57.85 55.84 1lk5 n ARG 113 Cb 0.20 -1.45 -0.05 0.00 0.00 0.00 0.00 32.46 31.16 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 -1.69 3.32 0.12 7.54 0.00 -0.97 -4.29 121.76 125.78 1lk5 s ALA 114 Ca 0.35 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.68 1lk5 s ALA 114 Cb 0.20 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 1lk5 s ALA 114 CO 0.29 0.14 1.73 0.78 0.00 0.00 0.00 175.76 178.69 1lk5 h GLY 115 N 4.65 0.15 -6.18 0.00 0.00 -0.84 -3.41 103.07 97.45 1lk5 h GLY 115 Ca -0.44 0.01 -0.45 0.00 0.00 0.00 0.00 47.33 46.44 1lk5 h GLY 115 CO 0.69 -0.02 -0.79 -1.59 0.00 0.00 0.00 176.54 174.83 1lk5 s THR 116 N -6.19 0.76 -0.32 4.70 2.01 -0.73 -5.01 115.64 110.85 1lk5 s THR 116 Ca -0.13 -0.24 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 1lk5 s THR 116 Cb 0.09 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 1lk5 s THR 116 CO 0.68 0.28 0.17 0.12 -0.69 0.00 0.00 174.62 175.18 1lk5 s PHE 117 N 0.95 3.19 -0.19 4.92 5.36 -1.26 -0.80 117.98 130.16 1lk5 s PHE 117 Ca -0.10 -0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 55.30 1lk5 s PHE 117 Cb -0.15 -2.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1lk5 s PHE 117 CO 0.00 -0.45 -0.04 0.42 -1.46 0.00 0.00 175.22 173.69 1lk5 s ILE 118 N 1.63 3.63 -0.15 3.12 1.01 0.78 -1.05 121.20 130.17 1lk5 s ILE 118 Ca 0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1lk5 s ILE 118 Cb -0.17 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1lk5 s ILE 118 CO 0.07 0.45 0.03 -0.69 0.00 0.00 0.00 174.94 174.81 1lk5 s VAL 119 N 0.92 4.54 -0.22 2.92 1.01 0.04 -1.86 120.40 127.75 1lk5 s VAL 119 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1lk5 s VAL 119 Cb -0.15 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1lk5 s VAL 119 CO 0.01 0.52 -0.03 -0.76 0.00 0.00 0.00 175.10 174.84 1lk5 s LEU 120 N -0.07 2.98 0.03 3.92 1.02 0.83 -0.09 118.68 127.31 1lk5 s LEU 120 Ca 0.05 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 53.79 1lk5 s LEU 120 Cb -0.12 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.31 1lk5 s LEU 120 CO 0.02 -0.02 0.09 0.68 0.02 0.00 0.00 176.35 177.14 1lk5 s VAL 121 N 1.49 0.13 0.60 -1.59 -7.23 -0.65 -4.05 120.40 109.09 1lk5 s VAL 121 Ca 0.06 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 1lk5 s VAL 121 Cb -0.14 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 36.02 1lk5 s VAL 121 CO -0.02 -0.58 0.86 1.51 -0.31 0.00 0.00 175.10 176.56 1lk5 s ASP 122 N -2.01 5.21 0.43 4.85 1.47 -1.26 -0.89 116.67 124.45 1lk5 s ASP 122 Ca -0.07 0.24 0.22 0.00 1.18 0.00 0.00 52.55 54.12 1lk5 s ASP 122 Cb -0.02 -1.09 1.18 0.00 -0.34 0.00 0.00 42.92 42.65 1lk5 s ASP 122 CO -0.04 -1.24 1.79 -0.08 0.68 0.00 0.00 175.17 176.28 1lk5 h GLU 123 N -0.14 0.31 0.00 2.11 4.57 -1.53 -2.39 114.58 117.51 1lk5 h GLU 123 Ca -0.44 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 1lk5 h GLU 123 Cb 1.29 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1lk5 h GLU 123 CO 0.56 0.21 -0.03 0.00 -1.18 0.00 0.00 179.01 178.57 1lk5 h ARG 124 N 0.32 0.00 0.00 1.92 3.08 -1.94 -2.54 114.38 115.22 1lk5 h ARG 124 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.62 1lk5 h ARG 124 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1lk5 h ARG 124 CO -0.23 0.03 0.00 0.87 -1.07 0.00 0.00 179.97 179.56 1lk5 h LYS 125 N 0.00 0.00 -6.22 0.04 6.56 -1.71 -3.44 116.57 111.80 1lk5 h LYS 125 Ca -0.00 0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 59.03 1lk5 h LYS 125 Cb 0.18 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.81 1lk5 h LYS 125 CO 0.00 0.00 0.87 -0.51 -2.06 0.00 0.00 179.45 177.76 1lk5 s LEU 126 N -5.53 4.23 0.33 2.94 1.43 -0.96 -0.25 118.68 120.87 1lk5 s LEU 126 Ca 0.07 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 1lk5 s LEU 126 Cb 0.08 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1lk5 s LEU 126 CO 0.60 -0.74 -0.07 0.68 0.23 0.00 0.00 176.35 177.04 1lk5 s VAL 127 N 3.17 2.03 -0.05 -1.59 -7.23 -0.19 -4.90 120.40 111.63 1lk5 s VAL 127 Ca 0.58 -2.16 0.15 0.00 -1.81 0.00 0.00 61.98 58.74 1lk5 s VAL 127 Cb -0.25 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.13 1lk5 s VAL 127 CO 0.19 -0.21 1.50 0.44 -0.31 0.00 0.00 175.10 176.70 1lk5 h ASP 128 N 2.08 0.00 -4.60 4.85 3.32 -1.95 -3.32 116.42 116.80 1lk5 h ASP 128 Ca -0.41 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.69 1lk5 h ASP 128 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 1lk5 h ASP 128 CO 0.70 0.53 0.42 -0.72 -1.72 0.00 0.00 179.24 178.45 1lk5 s TYR 129 N -3.08 -0.43 0.18 4.55 -0.85 -1.26 -4.56 117.35 111.89 1lk5 s TYR 129 Ca 0.03 0.51 -0.30 0.00 -0.52 0.00 0.00 57.07 56.79 1lk5 s TYR 129 Cb 0.09 0.49 -0.09 0.00 0.38 0.00 0.00 41.96 42.83 1lk5 s TYR 129 CO 0.74 -0.54 1.35 -0.51 -1.52 0.00 0.00 175.55 175.07 1lk5 s LEU 130 N -1.88 4.40 0.00 -3.49 1.43 -1.26 -2.11 118.68 115.76 1lk5 s LEU 130 Ca -0.00 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 1lk5 s LEU 130 Cb -0.01 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1lk5 s LEU 130 CO -0.03 -0.59 0.00 0.00 0.23 0.00 0.00 176.35 175.96 1lk5 h GLN 132 N 0.88 0.89 0.00 0.00 4.15 -1.68 -3.40 115.11 115.96 1lk5 h GLN 132 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1lk5 h GLN 132 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1lk5 h GLN 132 CO 0.00 0.85 -0.69 0.36 -1.93 0.00 0.00 178.83 177.42 1lk5 n LYS 133 N -4.23 2.36 -4.31 1.69 2.85 -1.26 -5.10 118.16 110.17 1lk5 n LYS 133 Ca 0.03 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.00 1lk5 n LYS 133 Cb 0.28 -0.84 -0.11 0.00 -0.65 0.00 0.00 35.03 33.70 1lk5 n LYS 133 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1lk5 s MET 134 N -1.69 1.76 0.71 -1.58 -1.94 -1.26 -5.13 119.30 110.17 1lk5 s MET 134 Ca 0.00 -1.21 -0.11 0.00 -1.71 0.00 0.00 55.69 52.66 1lk5 s MET 134 Cb 0.00 -2.09 0.02 0.00 2.01 0.00 0.00 34.83 34.77 1lk5 s MET 134 CO 0.00 0.47 1.08 -1.25 -0.01 0.00 0.00 175.02 175.31 1lk5 s PRO 135 N -2.20 2.83 -0.35 2.03 0.04 -1.26 -3.99 135.00 132.10 1lk5 s PRO 135 Ca 0.18 0.61 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 1lk5 s PRO 135 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1lk5 s PRO 135 CO 0.10 -1.09 0.61 0.08 0.04 0.00 0.00 177.00 176.74 1lk5 s VAL 136 N -3.25 4.92 0.25 -0.36 1.01 0.88 -4.81 120.40 119.05 1lk5 s VAL 136 Ca 0.58 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1lk5 s VAL 136 Cb -0.12 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 1lk5 s VAL 136 CO 0.53 -0.28 1.27 -2.84 0.00 0.00 0.00 175.10 173.78 1lk5 s PRO 137 N 2.63 4.43 -0.08 2.72 0.02 -1.26 -1.21 135.00 142.24 1lk5 s PRO 137 Ca 0.23 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1lk5 s PRO 137 Cb -0.15 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1lk5 s PRO 137 CO 0.14 -0.14 -0.06 0.42 -0.33 0.00 0.00 177.00 177.03 1lk5 s ILE 138 N -0.52 0.82 -0.08 2.83 1.01 0.54 0.18 121.20 125.98 1lk5 s ILE 138 Ca 0.52 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.75 1lk5 s ILE 138 Cb -0.37 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1lk5 s ILE 138 CO 0.43 0.32 0.63 -0.70 0.00 0.00 0.00 174.94 175.62 1lk5 s GLU 139 N 1.43 4.40 0.03 2.79 2.12 -0.22 -0.75 118.70 128.50 1lk5 s GLU 139 Ca -0.01 0.74 0.03 0.00 0.36 0.00 0.00 54.97 56.08 1lk5 s GLU 139 Cb -0.13 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1lk5 s GLU 139 CO -0.04 0.10 -0.08 0.14 -0.54 0.00 0.00 175.26 174.84 1lk5 s VAL 140 N 0.71 0.62 0.13 3.70 -7.23 -0.48 -0.63 120.40 117.23 1lk5 s VAL 140 Ca 0.34 -0.91 -0.33 0.00 -1.81 0.00 0.00 61.98 59.27 1lk5 s VAL 140 Cb -0.17 -0.63 -0.13 0.00 0.56 0.00 0.00 36.38 36.01 1lk5 s VAL 140 CO 0.16 -0.22 1.70 -0.38 -0.31 0.00 0.00 175.10 176.04 1lk5 n ILE 141 N 1.81 0.15 -0.22 -0.62 2.08 -0.08 -1.71 119.36 120.77 1lk5 n ILE 141 Ca -0.20 -0.03 0.01 0.00 0.56 0.00 0.00 62.75 63.10 1lk5 n ILE 141 Cb 0.55 -1.80 0.10 0.00 -0.75 0.00 0.00 39.64 37.75 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 7.05 0.08 -0.13 0.38 0.11 -1.91 -1.03 132.00 136.55 1lk5 h PRO 142 Ca -0.45 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 1lk5 h PRO 142 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1lk5 h PRO 142 CO 0.92 0.05 0.25 1.96 -0.21 0.00 0.00 178.00 180.98 1lk5 h GLN 143 N 0.08 0.00 -0.01 1.05 4.20 -1.99 -2.11 115.11 116.32 1lk5 h GLN 143 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1lk5 h GLN 143 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1lk5 h GLN 143 CO -0.59 0.00 -0.19 0.00 -0.67 0.00 0.00 178.83 177.38 1lk5 n ALA 144 N -2.14 2.94 -0.18 3.87 0.00 -0.39 -4.61 120.51 119.99 1lk5 n ALA 144 Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1lk5 n ALA 144 Cb 0.35 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 18.85 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 2.32 0.41 -0.38 0.00 5.08 -1.45 -0.97 115.95 120.96 1lk5 h TRP 145 Ca 0.00 0.03 -0.15 0.00 1.08 0.00 0.00 58.89 59.85 1lk5 h TRP 145 Cb 0.63 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 26.68 1lk5 h TRP 145 CO 0.00 0.15 -0.34 -0.22 -1.28 0.00 0.00 178.44 176.75 1lk5 h LYS 146 N 0.44 0.91 -0.58 0.12 3.64 -1.84 -1.50 116.57 117.75 1lk5 h LYS 146 Ca 0.26 -0.47 -0.07 0.00 -1.27 0.00 0.00 60.65 59.11 1lk5 h LYS 146 Cb 0.25 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1lk5 h LYS 146 CO -0.23 1.12 0.10 0.00 -2.27 0.00 0.00 179.45 178.16 1lk5 h ALA 147 N 0.77 0.78 -0.55 5.00 0.00 -1.78 -1.57 119.26 121.91 1lk5 h ALA 147 Ca 0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1lk5 h ALA 147 Cb 0.93 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1lk5 h ALA 147 CO 0.09 0.52 -0.06 0.82 0.00 0.00 0.00 179.25 180.62 1lk5 h ILE 148 N 0.87 1.27 -0.23 0.00 2.04 -1.10 -1.44 117.51 118.92 1lk5 h ILE 148 Ca 0.18 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.87 1lk5 h ILE 148 Cb 0.41 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1lk5 h ILE 148 CO 0.01 0.43 0.06 0.40 0.00 0.00 0.00 178.15 179.04 1lk5 h ILE 149 N 0.88 0.91 -0.45 -0.67 2.04 -1.05 0.18 117.51 119.35 1lk5 h ILE 149 Ca 0.15 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1lk5 h ILE 149 Cb 0.61 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1lk5 h ILE 149 CO 0.04 0.03 0.12 -0.33 0.00 0.00 0.00 178.15 178.01 1lk5 h GLU 150 N 0.16 0.26 -0.49 2.37 5.08 -1.03 -0.18 114.58 120.75 1lk5 h GLU 150 Ca 0.10 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1lk5 h GLU 150 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1lk5 h GLU 150 CO -0.13 0.17 0.07 0.93 -1.00 0.00 0.00 179.01 179.05 1lk5 h GLU 151 N 0.27 0.82 -0.43 2.33 5.08 -0.91 -2.54 114.58 119.19 1lk5 h GLU 151 Ca 0.22 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1lk5 h GLU 151 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1lk5 h GLU 151 CO -0.26 0.83 0.03 -0.07 -1.00 0.00 0.00 179.01 178.54 1lk5 h LEU 152 N 0.70 0.64 -0.97 1.33 3.38 -0.55 -2.82 115.31 117.02 1lk5 h LEU 152 Ca 0.15 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1lk5 h LEU 152 Cb 0.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1lk5 h LEU 152 CO 0.01 0.69 0.21 0.28 0.09 0.00 0.00 178.44 179.72 1lk5 h SER 153 N 0.65 0.88 -0.57 -0.43 0.02 -0.67 0.13 113.55 113.56 1lk5 h SER 153 Ca 0.14 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1lk5 h SER 153 Cb 0.36 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1lk5 h SER 153 CO 0.01 0.82 0.27 0.40 -1.14 0.00 0.00 176.83 177.19 1lk5 h ILE 154 N 0.93 1.20 0.00 3.27 2.04 -1.22 -0.26 117.51 123.47 1lk5 h ILE 154 Ca 0.21 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1lk5 h ILE 154 Cb 0.25 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1lk5 h ILE 154 CO -0.01 0.24 0.00 0.49 0.00 0.00 0.00 178.15 178.87 1lk5 n PHE 155 N -4.34 0.00 -1.85 1.37 0.99 0.41 -4.82 117.46 109.21 1lk5 n PHE 155 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.39 1lk5 n PHE 155 Cb 0.14 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 38.59 1lk5 n PHE 155 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1lk5 n ASN 156 N -0.41 -4.01 -4.90 4.37 5.15 -0.11 -4.99 115.26 110.38 1lk5 n ASN 156 Ca 0.00 0.11 -0.33 0.00 -0.60 0.00 0.00 54.58 53.77 1lk5 n ASN 156 Cb 0.02 -2.93 -0.05 0.00 -0.53 0.00 0.00 39.78 36.29 1lk5 n ASN 156 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lk5 s ALA 157 N -2.51 3.86 -0.43 5.20 0.00 -0.97 -4.53 121.76 122.38 1lk5 s ALA 157 Ca 0.00 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.14 1lk5 s ALA 157 Cb 0.00 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1lk5 s ALA 157 CO 0.00 0.70 0.56 0.21 0.00 0.00 0.00 175.76 177.23 1lk5 s LYS 158 N -2.25 3.20 -0.07 0.00 2.20 -0.14 -4.18 119.74 118.50 1lk5 s LYS 158 Ca 0.34 -0.54 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1lk5 s LYS 158 Cb -0.13 -3.96 -0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1lk5 s LYS 158 CO 0.22 -0.96 -0.22 0.00 -0.36 0.00 0.00 175.35 174.03 1lk5 s ALA 159 N 2.55 1.97 0.02 3.13 0.00 -1.26 -0.10 121.76 128.08 1lk5 s ALA 159 Ca 0.18 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1lk5 s ALA 159 Cb -0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1lk5 s ALA 159 CO 0.17 0.31 -0.07 -1.21 0.00 0.00 0.00 175.76 174.95 1lk5 s GLU 160 N 0.17 0.53 0.00 0.00 2.02 -0.48 -4.97 118.70 115.98 1lk5 s GLU 160 Ca -0.11 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 1lk5 s GLU 160 Cb -0.15 -0.41 -0.05 0.00 0.10 0.00 0.00 34.13 33.61 1lk5 s GLU 160 CO 0.06 0.10 1.28 -1.17 0.02 0.00 0.00 175.26 175.55 1lk5 s LEU 161 N -0.90 4.32 0.02 1.80 2.96 -1.26 -0.74 118.68 124.88 1lk5 s LEU 161 Ca -0.04 2.00 -0.30 0.00 -0.22 0.00 0.00 54.13 55.57 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 -0.61 1.14 -0.60 -1.32 0.00 0.00 176.35 174.97 1lk5 s ARG 162 N 1.93 4.45 0.01 1.98 3.52 0.12 -4.93 118.95 126.03 1lk5 s ARG 162 Ca 0.60 1.66 0.01 0.00 -0.13 0.00 0.00 55.73 57.87 1lk5 s ARG 162 Cb -0.29 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1lk5 s ARG 162 CO 0.26 -0.24 0.03 -1.64 -0.81 0.00 0.00 175.30 172.90 1lk5 s MET 163 N 1.26 2.86 0.54 5.12 -1.94 -1.26 -1.24 119.30 124.64 1lk5 s MET 163 Ca 0.56 -0.60 -0.19 0.00 -1.71 0.00 0.00 55.69 53.76 1lk5 s MET 163 Cb -0.26 -2.72 -0.06 0.00 2.01 0.00 0.00 34.83 33.80 1lk5 s MET 163 CO 0.27 0.62 1.08 0.20 -0.01 0.00 0.00 175.02 177.18 1lk5 s GLY 164 N -1.77 2.44 -0.16 -0.03 0.00 0.25 -4.59 107.32 103.46 1lk5 s GLY 164 Ca 0.22 0.62 -0.08 0.00 0.00 0.00 0.00 44.72 45.49 1lk5 s GLY 164 CO 0.13 0.96 -0.20 -0.62 0.00 0.00 0.00 173.10 173.37 1lk5 n VAL 165 N -1.41 0.88 -0.04 1.40 0.31 -1.26 -4.61 118.33 113.60 1lk5 n VAL 165 Ca 0.10 -0.23 0.07 0.00 -0.01 0.00 0.00 64.34 64.27 1lk5 n VAL 165 Cb 0.52 -1.69 0.27 0.00 -0.91 0.00 0.00 33.84 32.03 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 -3.69 3.64 -3.90 4.52 3.02 -1.26 -4.78 115.26 112.81 1lk5 n ASN 166 Ca -0.32 -2.28 -0.09 0.00 -0.03 0.00 0.00 54.58 51.86 1lk5 n ASN 166 Cb 0.73 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.69 0.72 0.58 3.52 -2.85 -1.26 -5.16 119.74 113.59 1lk5 s LYS 167 Ca 0.39 -0.88 -0.10 0.00 -1.00 0.00 0.00 55.97 54.38 1lk5 s LYS 167 Cb 0.24 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 1lk5 s LYS 167 CO 0.20 -0.20 0.97 -0.51 0.10 0.00 0.00 175.35 175.91 1lk5 s ASP 168 N -2.52 6.25 0.15 0.03 1.01 -1.26 -4.27 116.67 116.06 1lk5 s ASP 168 Ca 0.01 1.31 0.00 0.00 0.71 0.00 0.00 52.55 54.58 1lk5 s ASP 168 Cb 0.03 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1lk5 s ASP 168 CO -0.08 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.12 1lk5 n GLY 169 N -2.59 -1.60 3.77 0.21 0.00 -1.26 -4.78 105.19 98.94 1lk5 n GLY 169 Ca 0.05 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 2.97 0.31 1.61 0.02 -1.26 -0.58 135.00 138.07 1lk5 s PRO 170 Ca 0.00 1.42 -0.29 0.00 0.02 0.00 0.00 61.00 62.15 1lk5 s PRO 170 Cb 0.00 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 1lk5 s PRO 170 CO 0.00 -1.12 1.41 0.08 -0.33 0.00 0.00 177.00 177.04 1lk5 s VAL 171 N -2.22 2.53 -0.13 3.83 1.01 -0.37 -4.43 120.40 120.61 1lk5 s VAL 171 Ca 0.68 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.14 1lk5 s VAL 171 Cb -0.21 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1lk5 s VAL 171 CO 0.38 0.10 -0.09 -0.63 0.00 0.00 0.00 175.10 174.86 1lk5 s ILE 172 N -0.67 3.43 0.91 2.22 -1.09 -1.26 -4.26 121.20 120.48 1lk5 s ILE 172 Ca 0.54 -0.53 -0.14 0.00 -2.23 0.00 0.00 60.65 58.29 1lk5 s ILE 172 Cb -0.42 -2.46 0.15 0.00 -1.58 0.00 0.00 42.46 38.15 1lk5 s ILE 172 CO 0.51 0.52 1.21 0.42 -1.23 0.00 0.00 174.94 176.38 1lk5 s THR 173 N 0.22 1.97 0.58 2.92 -4.23 -0.01 -4.88 115.64 112.22 1lk5 s THR 173 Ca -0.06 0.00 0.42 0.00 -1.18 0.00 0.00 61.69 60.87 1lk5 s THR 173 Cb -0.15 -2.91 0.42 0.00 1.34 0.00 0.00 72.50 71.20 1lk5 s THR 173 CO 0.04 0.00 2.28 0.44 -0.54 0.00 0.00 174.62 176.85 1lk5 h ASP 174 N -1.46 0.00 -0.12 3.99 3.32 -1.91 -0.13 116.42 120.11 1lk5 h ASP 174 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1lk5 h ASP 174 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1lk5 h ASP 174 CO 0.53 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.64 1lk5 n ASN 175 N -2.98 2.62 0.00 6.45 4.13 -1.26 -4.96 115.26 119.26 1lk5 n ASN 175 Ca -0.03 -1.86 0.00 0.00 1.68 0.00 0.00 54.58 54.38 1lk5 n ASN 175 Cb 0.08 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 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 1.32 0.52 3.91 7.41 0.00 -0.06 -5.06 105.19 113.23 1lk5 n GLY 176 Ca 0.16 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.60 4.95 0.47 1.61 0.01 -1.26 -4.79 114.94 113.33 1lk5 s ASN 177 Ca 0.00 -0.90 0.03 0.00 -0.71 0.00 0.00 52.86 51.28 1lk5 s ASN 177 Cb 0.00 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.51 1lk5 s ASN 177 CO 0.00 -0.89 0.66 -0.36 -1.51 0.00 0.00 177.10 175.00 1lk5 s PHE 178 N -2.58 2.99 -0.08 2.20 0.08 -0.70 -0.83 117.98 119.07 1lk5 s PHE 178 Ca 0.46 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1lk5 s PHE 178 Cb -0.03 -2.45 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1lk5 s PHE 178 CO 0.28 -0.52 -0.11 0.42 -0.10 0.00 0.00 175.22 175.19 1lk5 s ILE 179 N -2.54 1.12 -0.18 0.64 -1.09 -1.26 -1.39 121.20 116.51 1lk5 s ILE 179 Ca 0.52 -0.44 -0.06 0.00 -2.23 0.00 0.00 60.65 58.45 1lk5 s ILE 179 Cb -0.10 -1.05 -0.03 0.00 -1.58 0.00 0.00 42.46 39.69 1lk5 s ILE 179 CO 0.36 0.36 0.02 -0.63 -1.23 0.00 0.00 174.94 173.82 1lk5 s ILE 180 N 0.92 4.39 -0.31 2.92 1.01 0.07 -0.71 121.20 129.50 1lk5 s ILE 180 Ca -0.10 -0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 1lk5 s ILE 180 Cb -0.15 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1lk5 s ILE 180 CO 0.01 0.46 0.26 -1.81 0.00 0.00 0.00 174.94 173.87 1lk5 s ASP 181 N 0.46 6.10 -0.28 3.58 1.01 0.08 -0.34 116.67 127.27 1lk5 s ASP 181 Ca 0.00 -0.11 -0.03 0.00 0.71 0.00 0.00 52.55 53.12 1lk5 s ASP 181 Cb -0.13 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.68 1lk5 s ASP 181 CO 0.02 -0.17 -0.01 0.00 0.21 0.00 0.00 175.17 175.21 1lk5 s ALA 182 N 1.85 2.82 -0.44 5.23 0.00 -0.35 -1.39 121.76 129.48 1lk5 s ALA 182 Ca 0.09 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1lk5 s ALA 182 Cb -0.16 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.10 1lk5 s ALA 182 CO 0.11 -1.03 0.54 0.21 0.00 0.00 0.00 175.76 175.59 1lk5 s LYS 183 N 1.33 3.16 0.39 0.00 2.47 0.86 -0.08 119.74 127.86 1lk5 s LYS 183 Ca -0.02 -0.66 -0.03 0.00 -1.56 0.00 0.00 55.97 53.70 1lk5 s LYS 183 Cb -0.18 -3.99 -0.04 0.00 -1.46 0.00 0.00 37.83 32.16 1lk5 s LYS 183 CO -0.02 -0.97 0.64 -0.06 0.16 0.00 0.00 175.35 175.10 1lk5 s PHE 184 N 2.44 3.52 0.05 4.03 0.40 -1.26 -0.97 117.98 126.19 1lk5 s PHE 184 Ca 0.16 0.60 -0.34 0.00 -0.60 0.00 0.00 56.93 56.75 1lk5 s PHE 184 Cb -0.17 -2.10 -0.19 0.00 0.51 0.00 0.00 43.02 41.07 1lk5 s PHE 184 CO 0.15 -0.02 1.50 -1.00 0.70 0.00 0.00 175.22 176.55 1lk5 h PRO 185 N 0.77 -1.18 -2.06 0.24 0.13 -1.89 -3.45 132.00 124.56 1lk5 h PRO 185 Ca -0.48 0.08 0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1lk5 h PRO 185 Cb 1.21 0.27 -0.21 0.00 0.13 0.00 0.00 31.00 32.39 1lk5 h PRO 185 CO 0.62 -0.79 -0.03 0.50 -0.23 0.00 0.00 178.00 178.08 1lk5 s ARG 186 N -5.66 0.66 -0.52 0.86 3.52 -1.26 -4.60 118.95 111.95 1lk5 s ARG 186 Ca -0.18 1.23 -0.18 0.00 -0.13 0.00 0.00 55.73 56.47 1lk5 s ARG 186 Cb 0.02 0.24 0.08 0.00 -1.56 0.00 0.00 34.95 33.72 1lk5 s ARG 186 CO 0.54 -0.16 0.59 0.42 -0.81 0.00 0.00 175.30 175.88 1lk5 s ILE 187 N 1.83 4.95 -0.24 4.11 1.01 -0.93 -4.91 121.20 127.01 1lk5 s ILE 187 Ca -0.09 -0.77 0.18 0.00 0.00 0.00 0.00 60.65 59.97 1lk5 s ILE 187 Cb -0.06 -4.31 0.10 0.00 0.01 0.00 0.00 42.46 38.19 1lk5 s ILE 187 CO -0.19 -0.84 1.34 0.44 0.00 0.00 0.00 174.94 175.69 1lk5 h ASP 188 N 8.99 0.00 -2.57 3.58 3.32 -2.01 -3.39 116.42 124.34 1lk5 h ASP 188 Ca -0.28 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.17 1lk5 h ASP 188 Cb 1.10 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.25 1lk5 h ASP 188 CO 0.98 0.31 -0.84 -0.67 -1.72 0.00 0.00 179.24 177.30 1lk5 n ASP 189 N -3.07 0.77 -0.25 6.45 -0.08 -1.26 -5.00 116.55 114.10 1lk5 n ASP 189 Ca 0.01 -2.68 0.02 0.00 -1.51 0.00 0.00 54.79 50.62 1lk5 n ASP 189 Cb 0.67 -0.62 0.14 0.00 2.34 0.00 0.00 41.12 43.65 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 5.45 0.62 -0.24 -0.67 0.11 -2.00 -2.38 132.00 132.89 1lk5 h PRO 190 Ca 0.22 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1lk5 h PRO 190 Cb 0.85 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1lk5 h PRO 190 CO 0.50 0.41 0.10 1.25 -0.21 0.00 0.00 178.00 180.04 1lk5 h LEU 191 N 0.64 0.32 -0.93 2.35 5.85 -1.94 0.17 115.31 121.76 1lk5 h LEU 191 Ca 0.36 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 1lk5 h LEU 191 Cb 0.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1lk5 h LEU 191 CO -0.26 0.39 -0.51 0.44 -0.34 0.00 0.00 178.44 178.16 1lk5 h ASP 192 N 0.23 0.07 -0.52 1.25 3.32 -1.98 -0.83 116.42 117.97 1lk5 h ASP 192 Ca 0.08 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1lk5 h ASP 192 Cb 0.16 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1lk5 h ASP 192 CO -0.01 0.57 -0.15 0.24 -1.72 0.00 0.00 179.24 178.18 1lk5 h MET 193 N 0.05 1.02 -0.02 3.56 2.86 -1.16 -0.84 114.93 120.41 1lk5 h MET 193 Ca -0.00 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1lk5 h MET 193 Cb 0.92 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.52 1lk5 h MET 193 CO 0.07 1.08 0.01 1.49 1.06 0.00 0.00 176.91 180.63 1lk5 h GLU 194 N 0.90 0.03 0.04 1.72 4.81 -0.16 -1.18 114.58 120.74 1lk5 h GLU 194 Ca 0.13 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1lk5 h GLU 194 Cb 0.72 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1lk5 h GLU 194 CO 0.06 0.10 -0.02 0.82 -0.73 0.00 0.00 179.01 179.23 1lk5 h ILE 195 N -0.04 0.99 0.00 2.32 2.04 -1.10 -3.19 117.51 118.54 1lk5 h ILE 195 Ca 0.01 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1lk5 h ILE 195 Cb 0.07 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1lk5 h ILE 195 CO -0.00 0.02 -0.49 -0.33 0.00 0.00 0.00 178.15 177.35 1lk5 h GLU 196 N -0.09 0.00 -0.47 2.37 4.39 -1.04 -2.59 114.58 117.15 1lk5 h GLU 196 Ca -0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1lk5 h GLU 196 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1lk5 h GLU 196 CO 0.01 0.49 0.14 -0.07 -1.16 0.00 0.00 179.01 178.41 1lk5 h LEU 197 N 0.00 0.64 -0.12 1.33 3.38 -1.27 -2.05 115.31 117.23 1lk5 h LEU 197 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1lk5 h LEU 197 Cb 1.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1lk5 h LEU 197 CO 0.06 0.62 0.00 0.59 0.09 0.00 0.00 178.44 179.80 1lk5 n ASN 198 N -4.32 0.13 -0.03 -0.43 3.02 -0.98 -1.95 115.26 110.70 1lk5 n ASN 198 Ca 0.03 0.53 0.14 0.00 -0.03 0.00 0.00 54.58 55.25 1lk5 n ASN 198 Cb 0.19 -0.56 0.61 0.00 -0.61 0.00 0.00 39.78 39.41 1lk5 n ASN 198 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1lk5 n THR 199 N -1.64 0.00 -2.48 3.41 -2.24 -0.77 -4.77 114.28 105.79 1lk5 n THR 199 Ca 0.04 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1lk5 n THR 199 Cb 0.20 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.74 4.37 0.09 2.28 1.01 -0.82 -4.96 121.20 120.43 1lk5 s ILE 200 Ca 0.22 1.65 -0.33 0.00 0.00 0.00 0.00 60.65 62.19 1lk5 s ILE 200 Cb 0.19 -4.07 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 1lk5 s ILE 200 CO 0.52 -0.15 1.76 -2.65 0.00 0.00 0.00 174.94 174.41 1lk5 n PRO 201 N 6.56 2.45 0.00 2.79 -0.02 -1.26 -1.37 135.00 144.15 1lk5 n PRO 201 Ca 0.13 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1lk5 n PRO 201 Cb 0.45 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 4.00 2.80 3.65 -1.23 0.00 -1.26 -4.96 105.19 108.18 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 -2.59 4.77 -0.14 1.61 1.01 -0.47 -0.90 120.40 123.68 1lk5 s VAL 203 Ca 0.00 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.43 1lk5 s VAL 203 Cb 0.00 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.93 1lk5 s VAL 203 CO 0.00 -0.13 0.72 0.40 0.00 0.00 0.00 175.10 176.09 1lk5 h ILE 204 N 5.45 1.71 -2.24 2.22 1.08 -1.19 -3.46 117.51 121.08 1lk5 h ILE 204 Ca -0.21 -2.34 0.05 0.00 -0.39 0.00 0.00 64.86 61.97 1lk5 h ILE 204 Cb 1.08 3.28 -0.17 0.00 -3.07 0.00 0.00 36.82 37.95 1lk5 h ILE 204 CO 0.92 0.58 0.40 -0.70 -0.69 0.00 0.00 178.15 178.66 1lk5 s GLU 205 N -2.24 0.90 0.17 2.37 2.56 -1.22 -5.02 118.70 116.24 1lk5 s GLU 205 Ca -0.20 -0.17 0.08 0.00 0.00 0.00 0.00 54.97 54.69 1lk5 s GLU 205 Cb -0.02 0.42 -0.04 0.00 2.00 0.00 0.00 34.13 36.49 1lk5 s GLU 205 CO 0.68 -0.36 -0.17 0.54 -0.56 0.00 0.00 175.26 175.39 1lk5 s ASN 206 N -2.08 2.67 0.00 -1.70 2.20 -1.26 -1.06 114.94 113.71 1lk5 s ASN 206 Ca 0.01 -0.89 0.24 0.00 -0.94 0.00 0.00 52.86 51.28 1lk5 s ASN 206 Cb -0.01 -0.16 1.44 0.00 -2.00 0.00 0.00 41.25 40.53 1lk5 s ASN 206 CO -0.05 -0.06 1.81 0.61 -2.94 0.00 0.00 177.10 176.47 1lk5 n GLY 207 N 0.16 -0.77 3.68 0.45 0.00 0.13 -4.75 105.19 104.09 1lk5 n GLY 207 Ca -0.12 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 4.62 -0.55 -0.61 1.01 -1.26 -0.64 121.20 121.76 1lk5 s ILE 208 Ca 0.36 1.91 0.04 0.00 0.00 0.00 0.00 60.65 62.96 1lk5 s ILE 208 Cb 0.17 -4.23 0.14 0.00 0.01 0.00 0.00 42.46 38.55 1lk5 s ILE 208 CO 0.28 -0.03 0.31 -0.36 0.00 0.00 0.00 174.94 175.14 1lk5 s PHE 209 N 2.29 3.25 0.03 3.97 0.40 -0.11 -4.92 117.98 122.88 1lk5 s PHE 209 Ca 0.50 -3.17 -0.00 0.00 -0.60 0.00 0.00 56.93 53.66 1lk5 s PHE 209 Cb -0.20 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.46 1lk5 s PHE 209 CO 0.17 -0.72 0.14 0.00 0.70 0.00 0.00 175.22 175.51 1lk5 s ALA 210 N -0.43 3.78 -1.50 5.36 0.00 -1.26 -1.07 121.76 126.64 1lk5 s ALA 210 Ca 0.18 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.14 1lk5 s ALA 210 Cb -0.23 -1.68 0.07 0.00 0.00 0.00 0.00 23.12 21.28 1lk5 s ALA 210 CO -0.02 0.76 1.03 -3.47 0.00 0.00 0.00 175.76 174.05 1lk5 n ASP 211 N 0.72 -5.19 0.00 0.00 2.03 -1.26 -4.82 116.55 108.03 1lk5 n ASP 211 Ca -0.09 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1lk5 n ASP 211 Cb 0.52 -4.12 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 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 -4.76 0.00 -1.97 5.18 3.06 -1.26 -5.07 119.36 114.53 1lk5 n ILE 212 Ca 0.04 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 59.87 1lk5 n ILE 212 Cb 0.53 -0.18 -0.03 0.00 0.54 0.00 0.00 39.64 40.50 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 -1.31 3.70 -0.26 1.51 0.00 -1.26 -4.58 121.76 119.56 1lk5 s ALA 213 Ca 0.00 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1lk5 s ALA 213 Cb 0.00 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.37 1lk5 s ALA 213 CO 0.00 -0.77 -0.24 -0.25 0.00 0.00 0.00 175.76 174.51 1lk5 n ASP 214 N 3.07 2.00 -3.81 0.00 8.00 -0.22 -4.85 116.55 120.75 1lk5 n ASP 214 Ca 0.10 -0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.34 1lk5 n ASP 214 Cb 0.39 -0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.51 0.04 -0.24 0.53 1.01 -1.00 -3.33 121.20 115.69 1lk5 s ILE 215 Ca -0.35 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1lk5 s ILE 215 Cb 0.09 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.44 1lk5 s ILE 215 CO 0.58 0.09 -0.05 -0.69 0.00 0.00 0.00 174.94 174.88 1lk5 s VAL 216 N 0.85 3.11 -0.30 2.92 1.01 -0.09 -0.78 120.40 127.10 1lk5 s VAL 216 Ca -0.08 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1lk5 s VAL 216 Cb -0.11 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1lk5 s VAL 216 CO -0.02 0.28 0.45 -0.63 0.00 0.00 0.00 175.10 175.18 1lk5 s ILE 217 N 1.39 5.10 -0.23 2.22 1.01 0.87 -0.96 121.20 130.60 1lk5 s ILE 217 Ca 0.03 0.48 -0.03 0.00 0.00 0.00 0.00 60.65 61.13 1lk5 s ILE 217 Cb -0.16 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1lk5 s ILE 217 CO -0.04 -0.02 -0.05 -0.69 0.00 0.00 0.00 174.94 174.15 1lk5 s VAL 218 N 2.22 3.20 -0.77 2.92 1.01 0.61 -1.63 120.40 127.96 1lk5 s VAL 218 Ca 0.17 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 1lk5 s VAL 218 Cb -0.16 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1lk5 s VAL 218 CO 0.11 0.33 1.30 -0.83 0.00 0.00 0.00 175.10 176.01 1lk5 s GLY 219 N 1.42 0.92 0.89 4.51 0.00 -0.07 -1.09 107.32 113.90 1lk5 s GLY 219 Ca 0.04 -1.46 -0.11 0.00 0.00 0.00 0.00 44.72 43.19 1lk5 s GLY 219 CO -0.04 2.65 1.22 -0.51 0.00 0.00 0.00 173.10 176.43 1lk5 s THR 220 N 5.66 2.04 0.20 0.90 -4.23 0.11 -1.29 115.64 119.03 1lk5 s THR 220 Ca 0.36 -0.19 0.26 0.00 -1.18 0.00 0.00 61.69 60.94 1lk5 s THR 220 Cb -0.07 -2.85 0.26 0.00 1.34 0.00 0.00 72.50 71.18 1lk5 s THR 220 CO 0.12 0.00 1.90 0.03 -0.54 0.00 0.00 174.62 176.14 1lk5 h ARG 221 N -1.29 0.00 -0.20 3.99 2.47 -1.94 -2.99 114.38 114.42 1lk5 h ARG 221 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1lk5 h ARG 221 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1lk5 h ARG 221 CO 0.39 0.18 0.00 -0.85 0.56 0.00 0.00 179.97 180.24 1lk5 n GLU 222 N -3.41 2.56 0.00 0.04 0.00 -1.26 -3.08 120.64 115.48 1lk5 n GLU 222 Ca -0.00 -2.60 0.00 0.00 0.00 0.00 0.00 57.16 54.56 1lk5 n GLU 222 Cb 0.37 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1lk5 n GLU 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lk5 n GLY 223 N -0.57 0.85 3.76 -1.84 0.00 -1.13 -5.08 105.19 101.18 1lk5 n GLY 223 Ca 0.18 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.76 1lk5 n GLY 223 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1lk5 s VAL 224 N -1.25 4.89 0.10 1.61 -7.23 -1.26 0.05 120.40 117.31 1lk5 s VAL 224 Ca 0.00 1.30 0.03 0.00 -1.81 0.00 0.00 61.98 61.49 1lk5 s VAL 224 Cb 0.00 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.94 1lk5 s VAL 224 CO 0.00 0.41 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.37 1lk5 s LYS 225 N -0.15 0.84 0.01 4.82 2.20 -0.25 -4.95 119.74 122.27 1lk5 s LYS 225 Ca 0.32 -1.26 0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1lk5 s LYS 225 Cb -0.18 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.78 1lk5 s LYS 225 CO 0.18 0.02 -0.15 0.15 -0.36 0.00 0.00 175.35 175.19 1lk5 s LYS 226 N -3.40 1.15 -0.06 4.03 1.02 -1.26 -0.29 119.74 120.93 1lk5 s LYS 226 Ca 0.09 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1lk5 s LYS 226 Cb 0.02 -1.15 -0.02 0.00 -0.52 0.00 0.00 37.83 36.16 1lk5 s LYS 226 CO -0.03 0.30 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.05 1lk5 s LEU 227 N -0.70 2.72 0.09 3.17 1.43 -0.14 -4.97 118.68 120.27 1lk5 s LEU 227 Ca 0.05 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1lk5 s LEU 227 Cb -0.07 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1lk5 s LEU 227 CO 0.00 0.32 -0.07 -1.61 0.23 0.00 0.00 176.35 175.22 1lk5 s GLU 228 N -0.55 0.77 0.00 1.70 2.02 -1.26 -0.91 118.70 120.47 1lk5 s GLU 228 Ca 0.08 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1lk5 s GLU 228 Cb -0.11 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 33.92 1lk5 s GLU 228 CO 0.01 -0.01 0.20 2.89 0.02 0.00 0.00 175.26 178.38