#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 2.63 0.18 7.83 2.20 -1.26 -4.79 114.94 121.73 1lk5 s ASN 2 Ca 0.00 0.64 -0.11 0.00 -0.94 0.00 0.00 52.86 52.44 1lk5 s ASN 2 Cb 0.00 -0.94 0.10 0.00 -2.00 0.00 0.00 41.25 38.41 1lk5 s ASN 2 CO 0.00 -3.07 1.78 0.58 -2.94 0.00 0.00 177.10 173.45 1lk5 h VAL 3 N -1.86 1.22 -0.63 3.54 2.07 -2.00 -1.89 116.25 116.70 1lk5 h VAL 3 Ca -0.47 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1lk5 h VAL 3 Cb 1.29 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1lk5 h VAL 3 CO 0.46 0.25 0.26 -0.33 0.02 0.00 0.00 177.57 178.22 1lk5 h GLU 4 N 0.88 0.91 -0.38 1.57 4.39 -1.99 -0.02 114.58 119.95 1lk5 h GLU 4 Ca 0.22 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 1lk5 h GLU 4 Cb 0.10 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1lk5 h GLU 4 CO -0.03 0.74 -0.21 0.93 -1.16 0.00 0.00 179.01 179.28 1lk5 h GLU 5 N 0.90 0.73 -0.48 2.33 5.08 -1.85 -1.63 114.58 119.66 1lk5 h GLU 5 Ca 0.21 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1lk5 h GLU 5 Cb 0.16 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1lk5 h GLU 5 CO -0.02 0.88 0.10 0.52 -1.00 0.00 0.00 179.01 179.49 1lk5 h MET 6 N 0.65 0.78 -0.10 2.33 2.86 -0.64 -2.46 114.93 118.35 1lk5 h MET 6 Ca 0.09 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1lk5 h MET 6 Cb 0.70 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1lk5 h MET 6 CO 0.05 0.78 0.06 0.87 1.06 0.00 0.00 176.91 179.73 1lk5 h LYS 7 N 0.66 0.13 -0.84 1.72 1.57 -0.77 -2.84 116.57 116.20 1lk5 h LYS 7 Ca 0.15 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1lk5 h LYS 7 Cb 0.36 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1lk5 h LYS 7 CO 0.01 0.10 0.56 0.87 -0.57 0.00 0.00 179.45 180.41 1lk5 h LYS 8 N 0.12 1.07 -0.01 3.15 1.57 -1.19 -1.54 116.57 119.74 1lk5 h LYS 8 Ca 0.03 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1lk5 h LYS 8 Cb -0.00 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 1lk5 h LYS 8 CO -0.01 0.70 -0.71 0.97 -0.57 0.00 0.00 179.45 179.83 1lk5 h ILE 9 N 1.10 1.48 -0.38 1.86 2.10 -1.35 -1.16 117.51 121.17 1lk5 h ILE 9 Ca 0.32 -2.37 -0.06 0.00 1.08 0.00 0.00 64.86 63.82 1lk5 h ILE 9 Cb -0.06 2.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.93 1lk5 h ILE 9 CO -0.08 0.68 -0.01 0.00 -1.08 0.00 0.00 178.15 177.66 1lk5 h ALA 10 N 1.23 0.51 -0.55 0.18 0.00 -1.21 -2.23 119.26 117.19 1lk5 h ALA 10 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1lk5 h ALA 10 Cb 1.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1lk5 h ALA 10 CO 0.10 0.29 0.36 0.00 0.00 0.00 0.00 179.25 180.01 1lk5 h ALA 11 N 0.87 0.70 -0.82 0.00 0.00 -1.08 -1.89 119.26 117.03 1lk5 h ALA 11 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1lk5 h ALA 11 Cb 0.49 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1lk5 h ALA 11 CO 0.02 0.13 0.36 -0.22 0.00 0.00 0.00 179.25 179.54 1lk5 h LYS 12 N 0.74 1.21 -0.50 0.00 3.64 -1.11 -2.43 116.57 118.12 1lk5 h LYS 12 Ca 0.20 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1lk5 h LYS 12 Cb -0.08 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 1lk5 h LYS 12 CO -0.05 0.95 0.05 1.49 -2.27 0.00 0.00 179.45 179.62 1lk5 h GLU 13 N 1.18 0.80 -0.50 1.90 4.57 -1.05 -2.98 114.58 118.50 1lk5 h GLU 13 Ca 0.28 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1lk5 h GLU 13 Cb 0.17 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1lk5 h GLU 13 CO -0.03 0.77 0.31 0.00 -1.18 0.00 0.00 179.01 178.88 1lk5 h ALA 14 N 1.30 0.64 -1.10 2.92 0.00 -0.86 -2.76 119.26 119.40 1lk5 h ALA 14 Ca 0.16 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.41 1lk5 h ALA 14 Cb 0.39 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.88 1lk5 h ALA 14 CO 0.01 0.02 0.67 -0.07 0.00 0.00 0.00 179.25 179.88 1lk5 h LEU 15 N 0.61 0.41 -1.90 0.00 3.38 -1.34 0.92 115.31 117.40 1lk5 h LEU 15 Ca 0.20 0.16 0.12 0.00 0.09 0.00 0.00 57.88 58.45 1lk5 h LEU 15 Cb -0.00 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1lk5 h LEU 15 CO -0.08 -0.14 0.33 0.11 0.09 0.00 0.00 178.44 178.75 1lk5 h LYS 16 N 0.24 0.11 0.00 1.13 1.57 -1.60 -0.25 116.57 117.76 1lk5 h LYS 16 Ca 0.75 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.52 1lk5 h LYS 16 Cb 1.97 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1lk5 h LYS 16 CO -0.52 0.07 0.00 1.19 -0.57 0.00 0.00 179.45 179.62 1lk5 n PHE 17 N -4.43 0.00 -3.24 -1.35 3.01 0.32 -4.83 117.46 106.94 1lk5 n PHE 17 Ca 0.08 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.15 1lk5 n PHE 17 Cb 0.47 -0.50 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 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 -3.00 5.10 0.37 4.37 -1.09 -0.11 -5.07 121.20 121.77 1lk5 s ILE 18 Ca 0.13 1.12 0.09 0.00 -2.23 0.00 0.00 60.65 59.75 1lk5 s ILE 18 Cb 0.18 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 37.10 1lk5 s ILE 18 CO 0.50 0.34 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.88 1lk5 s GLU 19 N 0.44 1.87 0.64 2.79 2.02 -1.26 -5.05 118.70 120.15 1lk5 s GLU 19 Ca 0.29 -2.00 -0.18 0.00 0.02 0.00 0.00 54.97 53.11 1lk5 s GLU 19 Cb -0.16 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1lk5 s GLU 19 CO 0.13 0.07 1.09 -0.25 0.02 0.00 0.00 175.26 176.33 1lk5 n ASP 20 N -0.85 1.22 -0.10 -0.19 8.00 -1.26 -2.98 116.55 120.39 1lk5 n ASP 20 Ca -0.05 0.79 -0.01 0.00 0.71 0.00 0.00 54.79 56.23 1lk5 n ASP 20 Cb 0.65 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.29 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 -1.37 -4.93 -4.84 -2.24 8.00 -0.62 -4.99 116.55 105.56 1lk5 n ASP 21 Ca 0.15 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 1lk5 n ASP 21 Cb 0.48 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.12 38.98 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 -1.48 4.07 -0.23 -1.24 -1.94 -1.16 -4.91 119.30 112.42 1lk5 s MET 22 Ca 0.00 0.94 -0.07 0.00 -1.71 0.00 0.00 55.69 54.84 1lk5 s MET 22 Cb 0.00 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.58 1lk5 s MET 22 CO 0.00 -0.06 0.07 0.08 -0.01 0.00 0.00 175.02 175.09 1lk5 s VAL 23 N -2.28 4.43 -0.13 -6.03 1.01 -1.26 -2.11 120.40 114.03 1lk5 s VAL 23 Ca 0.59 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1lk5 s VAL 23 Cb -0.10 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1lk5 s VAL 23 CO 0.20 0.37 -0.21 -0.63 0.00 0.00 0.00 175.10 174.84 1lk5 s ILE 24 N 1.27 2.25 -0.02 2.22 1.01 0.46 -1.12 121.20 127.27 1lk5 s ILE 24 Ca 0.05 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1lk5 s ILE 24 Cb -0.15 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1lk5 s ILE 24 CO 0.03 0.55 1.23 -0.83 0.00 0.00 0.00 174.94 175.92 1lk5 s GLY 25 N 0.60 2.14 -0.45 6.18 0.00 0.27 -0.41 107.32 115.66 1lk5 s GLY 25 Ca -0.12 0.71 -0.14 0.00 0.00 0.00 0.00 44.72 45.17 1lk5 s GLY 25 CO 0.03 2.21 0.35 1.08 0.00 0.00 0.00 173.10 176.77 1lk5 s LEU 26 N 1.96 5.40 1.27 0.66 1.43 0.27 -1.75 118.68 127.92 1lk5 s LEU 26 Ca 0.58 -1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 1lk5 s LEU 26 Cb -0.27 -2.14 0.32 0.00 0.03 0.00 0.00 46.19 44.13 1lk5 s LEU 26 CO 0.24 -0.58 0.99 -0.83 0.23 0.00 0.00 176.35 176.41 1lk5 s GLY 27 N 2.28 1.49 0.04 -3.19 0.00 0.98 -1.52 107.32 107.40 1lk5 s GLY 27 Ca 0.04 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 44.35 1lk5 s GLY 27 CO 0.07 0.38 -0.13 -1.59 0.00 0.00 0.00 173.10 171.82 1lk5 s THR 28 N -2.43 3.14 0.00 0.90 2.01 -1.26 -4.62 115.64 113.37 1lk5 s THR 28 Ca 0.69 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1lk5 s THR 28 Cb -0.19 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1lk5 s THR 28 CO 0.61 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 175.46 1lk5 n GLY 29 N 1.38 1.98 0.31 4.40 0.00 -1.26 -4.28 105.19 107.73 1lk5 n GLY 29 Ca -0.15 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.68 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 1.02 0.05 1.61 4.64 -1.98 -1.50 113.55 117.39 1lk5 h SER 30 Ca 0.00 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1lk5 h SER 30 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1lk5 h SER 30 CO 0.00 0.97 -0.03 0.74 -0.87 0.00 0.00 176.83 177.65 1lk5 h THR 31 N 1.02 1.04 0.00 2.95 2.02 -1.92 -2.40 112.91 115.62 1lk5 h THR 31 Ca 0.22 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1lk5 h THR 31 Cb 0.33 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1lk5 h THR 31 CO -0.00 0.07 -0.28 0.74 0.37 0.00 0.00 175.52 176.42 1lk5 h THR 32 N -0.20 0.95 -0.91 3.16 2.02 -1.83 -2.54 112.91 113.56 1lk5 h THR 32 Ca -0.01 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.20 1lk5 h THR 32 Cb 0.17 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1lk5 h THR 32 CO 0.01 0.27 0.59 0.00 0.37 0.00 0.00 175.52 176.76 1lk5 h ALA 33 N 1.72 1.52 -0.64 6.16 0.00 -0.76 0.25 119.26 127.51 1lk5 h ALA 33 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lk5 h ALA 33 Cb 0.58 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1lk5 h ALA 33 CO 0.04 0.33 0.34 1.88 0.00 0.00 0.00 179.25 181.84 1lk5 h TYR 34 N 1.02 0.88 -0.12 0.00 -1.99 -1.22 -1.85 116.97 113.69 1lk5 h TYR 34 Ca 0.40 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.11 1lk5 h TYR 34 Cb 0.23 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1lk5 h TYR 34 CO -0.00 0.64 0.05 0.35 -0.00 0.00 0.00 178.16 179.20 1lk5 h PHE 35 N 0.87 0.10 -0.90 4.88 3.57 -1.03 -0.86 116.94 123.58 1lk5 h PHE 35 Ca 0.22 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1lk5 h PHE 35 Cb 0.05 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1lk5 h PHE 35 CO -0.01 0.05 0.58 0.82 -2.23 0.00 0.00 178.31 177.52 1lk5 h ILE 36 N 0.12 1.14 0.19 1.41 2.04 -0.92 0.17 117.51 121.66 1lk5 h ILE 36 Ca 0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1lk5 h ILE 36 Cb 0.02 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1lk5 h ILE 36 CO -0.04 0.20 -0.09 0.50 0.00 0.00 0.00 178.15 178.72 1lk5 h LYS 37 N 1.11 -0.25 -0.83 2.37 1.63 -0.98 -0.65 116.57 118.97 1lk5 h LYS 37 Ca 0.36 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.15 1lk5 h LYS 37 Cb 0.02 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 1lk5 h LYS 37 CO -0.12 -0.15 0.40 -0.07 -3.45 0.00 0.00 179.45 176.06 1lk5 h LEU 38 N -0.27 1.09 -0.59 5.20 3.38 -0.64 -1.15 115.31 122.32 1lk5 h LEU 38 Ca -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1lk5 h LEU 38 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1lk5 h LEU 38 CO 0.04 0.92 0.30 0.25 0.09 0.00 0.00 178.44 180.04 1lk5 h LEU 39 N 1.18 0.75 -1.05 1.67 5.85 -0.54 -0.24 115.31 122.93 1lk5 h LEU 39 Ca 0.29 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1lk5 h LEU 39 Cb 0.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1lk5 h LEU 39 CO -0.04 0.65 0.33 1.23 -0.34 0.00 0.00 178.44 180.27 1lk5 h GLY 40 N 0.80 1.07 1.14 3.75 0.00 -0.53 -1.23 103.07 108.07 1lk5 h GLY 40 Ca 0.20 -0.52 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1lk5 h GLY 40 CO -0.03 0.50 -0.55 0.83 0.00 0.00 0.00 176.54 177.28 1lk5 h GLU 41 N 0.99 0.88 -0.43 4.80 5.08 -0.70 -1.89 114.58 123.31 1lk5 h GLU 41 Ca 0.24 -0.56 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1lk5 h GLU 41 Cb 0.11 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1lk5 h GLU 41 CO -0.03 1.20 0.11 -0.22 -1.00 0.00 0.00 179.01 179.07 1lk5 h LYS 42 N 0.66 0.68 -0.94 2.33 3.64 -0.85 -1.69 116.57 120.40 1lk5 h LYS 42 Ca 0.01 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1lk5 h LYS 42 Cb 1.17 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1lk5 h LYS 42 CO 0.12 0.68 0.60 1.25 -2.27 0.00 0.00 179.45 179.83 1lk5 h LEU 43 N 0.55 1.10 -0.65 5.20 5.85 -1.18 -2.04 115.31 124.14 1lk5 h LEU 43 Ca 0.13 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1lk5 h LEU 43 Cb 0.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1lk5 h LEU 43 CO 0.00 0.82 -0.25 0.50 -0.34 0.00 0.00 178.44 179.17 1lk5 h LYS 44 N 1.28 0.79 0.00 1.25 3.64 -1.01 -2.42 116.57 120.11 1lk5 h LYS 44 Ca 0.34 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1lk5 h LYS 44 Cb -0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1lk5 h LYS 44 CO -0.07 0.96 0.00 0.54 -2.27 0.00 0.00 179.45 178.61 1lk5 n ARG 45 N -4.10 0.65 -0.97 1.90 1.74 -0.66 -4.86 116.66 110.36 1lk5 n ARG 45 Ca -0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1lk5 n ARG 45 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.44 0.52 0.09 -0.13 0.00 -0.91 -4.89 105.19 100.31 1lk5 n GLY 46 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.10 0.14 -3.68 1.61 -0.58 -0.81 -4.74 120.64 110.48 1lk5 n GLU 47 Ca 0.00 0.36 -0.14 0.00 -0.42 0.00 0.00 57.16 56.96 1lk5 n GLU 47 Cb 0.07 -1.76 -0.07 0.00 -0.57 0.00 0.00 31.44 29.11 1lk5 n GLU 47 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1lk5 s ILE 48 N -3.21 0.05 0.18 -3.67 2.07 -1.25 -4.99 121.20 110.38 1lk5 s ILE 48 Ca 0.06 -0.39 -0.08 0.00 -1.41 0.00 0.00 60.65 58.82 1lk5 s ILE 48 Cb 0.10 -0.84 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 1lk5 s ILE 48 CO 0.37 -0.22 0.28 -0.94 -1.91 0.00 0.00 174.94 172.53 1lk5 s SER 49 N -1.62 0.05 -1.37 4.50 1.04 -1.26 -4.54 113.70 110.50 1lk5 s SER 49 Ca -0.09 -0.99 -0.06 0.00 0.48 0.00 0.00 55.95 55.29 1lk5 s SER 49 Cb -0.02 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1lk5 s SER 49 CO 0.02 -0.92 0.93 0.47 0.98 0.00 0.00 173.24 174.72 1lk5 n ASP 50 N -0.25 -3.38 -4.85 7.02 8.00 -1.26 -1.59 116.55 120.24 1lk5 n ASP 50 Ca -0.05 -0.72 -0.36 0.00 0.71 0.00 0.00 54.79 54.37 1lk5 n ASP 50 Cb 0.63 -4.36 -0.06 0.00 -0.02 0.00 0.00 41.12 37.31 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 -3.44 5.25 -0.05 0.53 -1.09 -1.26 -2.14 121.20 119.00 1lk5 s ILE 51 Ca 0.31 0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.79 1lk5 s ILE 51 Cb -0.15 -3.31 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1lk5 s ILE 51 CO 0.79 0.56 -0.09 -0.69 -1.23 0.00 0.00 174.94 174.28 1lk5 s VAL 52 N -1.06 0.85 -0.01 2.92 1.01 -0.89 -4.38 120.40 118.84 1lk5 s VAL 52 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1lk5 s VAL 52 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1lk5 s VAL 52 CO 0.06 0.28 0.10 -0.83 0.00 0.00 0.00 175.10 174.72 1lk5 s GLY 53 N 0.58 2.05 -0.31 4.51 0.00 0.16 -0.40 107.32 113.91 1lk5 s GLY 53 Ca -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1lk5 s GLY 53 CO 0.02 -0.71 -0.01 0.14 0.00 0.00 0.00 173.10 172.54 1lk5 s VAL 54 N -1.21 2.22 0.34 1.40 1.01 0.46 -0.85 120.40 123.75 1lk5 s VAL 54 Ca 0.23 -2.07 -0.27 0.00 0.00 0.00 0.00 61.98 59.87 1lk5 s VAL 54 Cb -0.12 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1lk5 s VAL 54 CO 0.14 -0.39 1.13 -2.16 0.00 0.00 0.00 175.10 173.83 1lk5 s PRO 55 N 0.99 4.36 0.00 2.72 0.05 -1.26 -0.57 135.00 141.29 1lk5 s PRO 55 Ca 0.04 1.81 0.25 0.00 0.05 0.00 0.00 61.00 63.15 1lk5 s PRO 55 Cb -0.19 -2.93 0.77 0.00 0.05 0.00 0.00 34.50 32.20 1lk5 s PRO 55 CO -0.07 -0.04 1.58 0.25 0.05 0.00 0.00 177.00 178.77 1lk5 n THR 56 N 0.62 0.11 -3.69 1.26 -2.24 -0.58 -4.87 114.28 104.90 1lk5 n THR 56 Ca 0.02 -0.37 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1lk5 n THR 56 Cb 0.46 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.82 -0.18 0.26 3.42 1.04 -1.26 -4.23 113.70 110.92 1lk5 s SER 57 Ca 0.35 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1lk5 s SER 57 Cb 0.20 0.41 0.28 0.00 0.10 0.00 0.00 66.02 67.01 1lk5 s SER 57 CO 0.31 -0.73 1.93 1.88 0.98 0.00 0.00 173.24 177.60 1lk5 h TYR 58 N 2.00 1.24 -0.05 5.02 0.99 -1.99 -1.15 116.97 123.03 1lk5 h TYR 58 Ca -0.24 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.54 1lk5 h TYR 58 Cb 1.23 -0.42 -0.03 0.00 1.00 0.00 0.00 36.73 38.50 1lk5 h TYR 58 CO 0.35 0.78 -0.13 0.37 -0.00 0.00 0.00 178.16 179.53 1lk5 h GLN 59 N 1.33 -0.19 -0.63 4.88 -0.00 -1.98 0.36 115.11 118.87 1lk5 h GLN 59 Ca 0.36 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.99 1lk5 h GLN 59 Cb -0.15 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.35 1lk5 h GLN 59 CO -0.08 -0.13 0.29 0.00 0.00 0.00 0.00 178.83 178.92 1lk5 h ALA 60 N 0.80 0.82 -0.01 3.38 0.00 -1.76 -1.47 119.26 121.01 1lk5 h ALA 60 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1lk5 h ALA 60 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1lk5 h ALA 60 CO -0.16 0.39 0.01 -0.22 0.00 0.00 0.00 179.25 179.27 1lk5 h LYS 61 N 0.87 0.02 -0.82 0.00 3.64 -0.68 -1.15 116.57 118.46 1lk5 h LYS 61 Ca 0.22 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1lk5 h LYS 61 Cb 0.14 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1lk5 h LYS 61 CO -0.03 0.10 0.47 -0.07 -2.27 0.00 0.00 179.45 177.66 1lk5 h LEU 62 N -0.07 1.00 -0.57 5.20 3.38 -0.16 -0.94 115.31 123.15 1lk5 h LEU 62 Ca 0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1lk5 h LEU 62 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1lk5 h LEU 62 CO -0.00 0.79 -0.02 0.25 0.09 0.00 0.00 178.44 179.54 1lk5 h LEU 63 N 1.13 1.01 -0.44 1.67 5.85 -1.11 -1.65 115.31 121.77 1lk5 h LEU 63 Ca 0.29 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1lk5 h LEU 63 Cb -0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1lk5 h LEU 63 CO -0.05 1.08 0.18 0.00 -0.34 0.00 0.00 178.44 179.31 1lk5 h ALA 64 N 0.96 0.58 -0.62 1.25 0.00 -0.61 -2.05 119.26 118.76 1lk5 h ALA 64 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1lk5 h ALA 64 Cb 0.58 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1lk5 h ALA 64 CO 0.03 0.18 0.37 0.82 0.00 0.00 0.00 179.25 180.66 1lk5 h ILE 65 N 0.57 1.05 0.00 0.00 2.04 -1.05 -0.71 117.51 119.41 1lk5 h ILE 65 Ca 0.15 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1lk5 h ILE 65 Cb 0.19 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1lk5 h ILE 65 CO -0.01 0.13 -0.10 -0.33 0.00 0.00 0.00 178.15 177.84 1lk5 h GLU 66 N 0.72 0.00 -0.46 2.37 5.08 -0.92 -1.98 114.58 119.40 1lk5 h GLU 66 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1lk5 h GLU 66 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1lk5 h GLU 66 CO -0.12 0.10 0.00 0.72 -1.00 0.00 0.00 179.01 178.71 1lk5 n HIS 67 N -3.70 1.25 -3.31 4.33 8.25 -0.73 -4.97 115.22 116.34 1lk5 n HIS 67 Ca -0.02 -0.70 -0.24 0.00 -0.26 0.00 0.00 57.72 56.50 1lk5 n HIS 67 Cb 0.21 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.05 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 0.40 -4.68 -4.67 0.41 8.00 -0.61 -4.68 116.55 110.72 1lk5 n ASP 68 Ca 0.22 -0.40 -0.39 0.00 0.71 0.00 0.00 54.79 54.93 1lk5 n ASP 68 Cb 0.87 -3.81 -0.07 0.00 -0.02 0.00 0.00 41.12 38.10 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 -3.06 5.11 0.47 0.53 1.01 -0.37 -5.03 121.20 119.86 1lk5 s ILE 69 Ca 0.40 0.97 -0.24 0.00 0.00 0.00 0.00 60.65 61.78 1lk5 s ILE 69 Cb -0.20 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 1lk5 s ILE 69 CO 0.49 0.19 1.39 -2.84 0.00 0.00 0.00 174.94 174.17 1lk5 s PRO 70 N 1.51 3.58 0.15 2.79 0.02 -1.26 -4.46 135.00 137.33 1lk5 s PRO 70 Ca 0.25 2.32 0.02 0.00 0.02 0.00 0.00 61.00 63.61 1lk5 s PRO 70 Cb -0.15 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 1lk5 s PRO 70 CO 0.10 -0.87 -0.02 0.96 -0.33 0.00 0.00 177.00 176.84 1lk5 s ILE 71 N -1.24 0.69 0.11 2.83 -4.36 -1.26 -0.67 121.20 117.30 1lk5 s ILE 71 Ca 0.63 -1.97 -0.17 0.00 -0.26 0.00 0.00 60.65 58.88 1lk5 s ILE 71 Cb -0.42 -1.96 0.04 0.00 1.25 0.00 0.00 42.46 41.37 1lk5 s ILE 71 CO 0.53 -0.62 0.43 0.00 0.24 0.00 0.00 174.94 175.51 1lk5 s ALA 72 N -3.64 -1.02 0.58 2.27 0.00 -0.03 -4.87 121.76 115.03 1lk5 s ALA 72 Ca 0.20 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.18 1lk5 s ALA 72 Cb 0.06 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1lk5 s ALA 72 CO 0.01 -0.61 0.92 -1.12 0.00 0.00 0.00 175.76 174.95 1lk5 s SER 73 N -2.62 5.90 0.36 0.00 0.01 -1.26 -4.23 113.70 111.86 1lk5 s SER 73 Ca 0.01 0.98 0.05 0.00 1.31 0.00 0.00 55.95 58.30 1lk5 s SER 73 Cb 0.01 -2.05 0.73 0.00 0.21 0.00 0.00 66.02 64.92 1lk5 s SER 73 CO -0.10 -0.91 1.97 0.25 0.41 0.00 0.00 173.24 174.85 1lk5 h LEU 74 N -0.15 0.67 0.00 2.44 5.85 -1.94 -1.09 115.31 121.09 1lk5 h LEU 74 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1lk5 h LEU 74 Cb 1.23 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1lk5 h LEU 74 CO 0.62 0.44 0.00 -0.90 -0.34 0.00 0.00 178.44 178.26 1lk5 n ASP 75 N -4.47 0.00 0.07 1.25 5.68 -1.26 -2.49 116.55 115.33 1lk5 n ASP 75 Ca 0.10 -0.10 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 1lk5 n ASP 75 Cb 0.20 -0.25 0.01 0.00 -1.14 0.00 0.00 41.12 39.94 1lk5 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lk5 n GLN 76 N -1.25 0.52 -4.23 0.11 6.02 -0.41 -4.96 117.38 113.17 1lk5 n GLN 76 Ca 0.11 0.06 -0.23 0.00 -0.01 0.00 0.00 57.00 56.93 1lk5 n GLN 76 Cb 0.16 -1.74 -0.07 0.00 1.02 0.00 0.00 30.24 29.62 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 -3.33 3.48 -0.67 5.09 -7.23 -1.04 -5.00 120.40 111.71 1lk5 s VAL 77 Ca 0.00 -1.80 0.23 0.00 -1.81 0.00 0.00 61.98 58.59 1lk5 s VAL 77 Cb 0.11 -2.94 -0.14 0.00 0.56 0.00 0.00 36.38 33.96 1lk5 s VAL 77 CO 0.80 -0.33 0.99 -0.90 -0.31 0.00 0.00 175.10 175.34 1lk5 n ASP 78 N -0.99 0.63 -3.54 4.85 5.68 -1.26 -4.98 116.55 116.93 1lk5 n ASP 78 Ca -0.06 -0.34 -0.11 0.00 -0.50 0.00 0.00 54.79 53.78 1lk5 n ASP 78 Cb 0.59 0.89 -0.04 0.00 -1.14 0.00 0.00 41.12 41.42 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 -3.17 -1.88 -0.33 2.12 0.00 -1.26 -5.12 121.76 112.12 1lk5 s ALA 79 Ca 0.04 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 1lk5 s ALA 79 Cb 0.15 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1lk5 s ALA 79 CO 0.82 -0.45 0.14 0.42 0.00 0.00 0.00 175.76 176.69 1lk5 s ILE 80 N -1.81 4.30 -0.03 0.00 -1.09 -1.26 -4.73 121.20 116.59 1lk5 s ILE 80 Ca -0.01 -0.74 -0.24 0.00 -2.23 0.00 0.00 60.65 57.44 1lk5 s ILE 80 Cb -0.01 -3.30 -0.21 0.00 -1.58 0.00 0.00 42.46 37.36 1lk5 s ILE 80 CO -0.01 -0.06 1.13 0.44 -1.23 0.00 0.00 174.94 175.21 1lk5 h ASP 81 N 8.33 0.24 -3.74 3.58 3.32 -1.46 -0.44 116.42 126.24 1lk5 h ASP 81 Ca -0.29 -0.67 -0.25 0.00 0.02 0.00 0.00 57.03 55.84 1lk5 h ASP 81 Cb 1.12 -0.07 -0.28 0.00 0.22 0.00 0.00 39.33 40.31 1lk5 h ASP 81 CO 0.63 0.88 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.61 1lk5 s VAL 82 N -3.53 0.06 -0.06 -1.35 1.01 -1.16 -1.76 120.40 113.61 1lk5 s VAL 82 Ca -0.15 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1lk5 s VAL 82 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.32 1lk5 s VAL 82 CO 0.74 0.02 -0.25 0.00 0.00 0.00 0.00 175.10 175.62 1lk5 s ALA 83 N 0.05 2.18 -0.08 5.51 0.00 -0.10 -0.56 121.76 128.75 1lk5 s ALA 83 Ca -0.00 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1lk5 s ALA 83 Cb -0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1lk5 s ALA 83 CO -0.00 0.40 -0.23 0.08 0.00 0.00 0.00 175.76 176.01 1lk5 s VAL 84 N -0.11 1.93 0.22 0.00 1.01 -0.71 -0.34 120.40 122.39 1lk5 s VAL 84 Ca -0.05 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 1lk5 s VAL 84 Cb -0.14 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.62 1lk5 s VAL 84 CO 0.04 0.53 0.74 -0.62 0.00 0.00 0.00 175.10 175.80 1lk5 s ASP 85 N 0.22 -0.32 0.27 3.32 -1.08 -0.88 -0.01 116.67 118.20 1lk5 s ASP 85 Ca -0.14 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.48 1lk5 s ASP 85 Cb -0.16 0.64 0.01 0.00 -1.46 0.00 0.00 42.92 41.95 1lk5 s ASP 85 CO 0.07 -1.16 0.09 0.61 0.52 0.00 0.00 175.17 175.30 1lk5 n GLY 86 N -0.43 1.23 3.41 2.66 0.00 -1.26 -0.30 105.19 110.50 1lk5 n GLY 86 Ca -0.07 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.51 -1.44 -0.06 4.61 0.00 -1.26 -4.80 121.76 116.31 1lk5 s ALA 87 Ca 0.06 0.56 0.13 0.00 0.00 0.00 0.00 51.96 52.72 1lk5 s ALA 87 Cb -0.00 0.57 -0.22 0.00 0.00 0.00 0.00 23.12 23.47 1lk5 s ALA 87 CO 0.04 -0.61 0.65 -0.25 0.00 0.00 0.00 175.76 175.59 1lk5 n ASP 88 N 0.08 0.82 -3.74 0.00 8.00 0.19 -4.94 116.55 116.95 1lk5 n ASP 88 Ca -0.18 0.39 -0.13 0.00 0.71 0.00 0.00 54.79 55.58 1lk5 n ASP 88 Cb 0.62 0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1lk5 n ASP 88 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1lk5 s GLU 89 N -2.64 0.57 -0.09 -1.24 2.02 -1.06 -4.69 118.70 111.59 1lk5 s GLU 89 Ca -0.05 0.17 -0.01 0.00 0.02 0.00 0.00 54.97 55.10 1lk5 s GLU 89 Cb 0.08 0.26 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1lk5 s GLU 89 CO 0.82 -0.13 -0.01 0.08 0.02 0.00 0.00 175.26 176.04 1lk5 s VAL 90 N -0.58 0.53 0.65 2.63 1.01 0.29 -1.89 120.40 123.04 1lk5 s VAL 90 Ca -0.07 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1lk5 s VAL 90 Cb -0.04 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.75 1lk5 s VAL 90 CO 0.03 0.27 0.92 1.51 0.00 0.00 0.00 175.10 177.83 1lk5 s ASP 91 N 1.91 4.83 0.64 3.32 3.84 -0.18 -0.40 116.67 130.63 1lk5 s ASP 91 Ca 0.05 0.06 0.39 0.00 -0.00 0.00 0.00 52.55 53.06 1lk5 s ASP 91 Cb -0.12 -0.73 2.22 0.00 -1.38 0.00 0.00 42.92 42.91 1lk5 s ASP 91 CO -0.06 -1.51 2.33 -0.65 -0.00 0.00 0.00 175.17 175.28 1lk5 h PRO 92 N -0.34 0.00 -0.62 2.11 0.11 -1.79 -0.57 132.00 130.89 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 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1lk5 h PRO 92 CO 0.51 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.39 1lk5 n ASN 93 N -3.35 3.42 -1.43 -2.05 3.02 -1.26 -4.93 115.26 108.67 1lk5 n ASN 93 Ca -0.03 -2.05 -0.13 0.00 -0.03 0.00 0.00 54.58 52.34 1lk5 n ASN 93 Cb 0.08 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 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 1.25 -1.52 -4.83 3.41 4.77 -0.22 -4.91 117.00 114.95 1lk5 n LEU 94 Ca 0.21 0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 1lk5 n LEU 94 Cb 0.56 -2.01 -0.06 0.00 -2.33 0.00 0.00 43.42 39.57 1lk5 n LEU 94 CO 0.15 -0.20 0.43 0.20 -1.33 0.00 0.00 177.39 176.64 1lk5 s ASN 95 N -2.46 6.94 0.28 -1.43 0.01 -1.26 -4.50 114.94 112.51 1lk5 s ASN 95 Ca 0.00 1.37 0.10 0.00 -0.71 0.00 0.00 52.86 53.62 1lk5 s ASN 95 Cb 0.00 -2.40 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1lk5 s ASN 95 CO 0.00 -0.08 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.61 1lk5 s LEU 96 N -2.44 2.60 -0.11 0.60 1.43 -0.25 -1.01 118.68 119.49 1lk5 s LEU 96 Ca 0.48 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1lk5 s LEU 96 Cb -0.14 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1lk5 s LEU 96 CO 0.19 -0.13 -0.19 -0.63 0.23 0.00 0.00 176.35 175.82 1lk5 s ILE 97 N -2.72 2.51 0.27 -0.59 1.01 -0.79 -0.78 121.20 120.10 1lk5 s ILE 97 Ca 0.29 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1lk5 s ILE 97 Cb -0.01 -2.00 -0.06 0.00 0.01 0.00 0.00 42.46 40.41 1lk5 s ILE 97 CO 0.13 0.55 0.05 -0.54 0.00 0.00 0.00 174.94 175.12 1lk5 s LYS 98 N 0.26 1.45 0.00 2.79 1.02 0.81 -0.64 119.74 125.43 1lk5 s LYS 98 Ca -0.13 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.09 1lk5 s LYS 98 Cb -0.17 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.56 1lk5 s LYS 98 CO 0.07 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 1lk5 n GLY 99 N -0.51 0.93 0.37 -3.33 0.00 -1.26 -4.31 105.19 97.08 1lk5 n GLY 99 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 0.78 0.58 -0.00 1.61 2.43 -1.95 0.89 114.38 118.71 1lk5 h ARG 100 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1lk5 h ARG 100 Cb 0.00 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1lk5 h ARG 100 CO 0.00 0.38 -0.00 0.41 -1.51 0.00 0.00 179.97 179.25 1lk5 n GLY 101 N -1.47 -0.78 2.44 2.80 0.00 -1.26 -4.93 105.19 102.00 1lk5 n GLY 101 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.74 0.00 -0.95 4.61 0.00 0.30 -4.91 120.51 118.83 1lk5 n ALA 102 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.74 1lk5 n ALA 102 Cb 0.17 -0.66 0.36 0.00 0.00 0.00 0.00 19.45 19.32 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 1.00 3.65 0.17 0.00 0.00 -1.26 -4.68 120.51 119.38 1lk5 n ALA 103 Ca 0.00 -2.08 0.13 0.00 0.00 0.00 0.00 53.44 51.50 1lk5 n ALA 103 Cb 0.22 -1.00 0.68 0.00 0.00 0.00 0.00 19.45 19.35 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 3.26 0.00 0.05 0.00 -0.00 -1.91 -2.32 115.31 114.39 1lk5 h LEU 104 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1lk5 h LEU 104 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.50 1lk5 h LEU 104 CO 0.42 0.00 -0.03 0.74 -0.00 0.00 0.00 178.44 179.58 1lk5 h THR 105 N 0.00 1.28 -0.02 0.15 2.02 -1.94 -1.51 112.91 112.88 1lk5 h THR 105 Ca 0.10 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 1lk5 h THR 105 Cb 0.39 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1lk5 h THR 105 CO -0.00 0.30 -0.38 0.24 0.37 0.00 0.00 175.52 176.04 1lk5 h MET 106 N -0.63 0.04 0.21 6.66 2.86 -1.79 -1.45 114.93 120.84 1lk5 h MET 106 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1lk5 h MET 106 Cb 0.55 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1lk5 h MET 106 CO 0.01 0.42 -0.10 0.93 1.06 0.00 0.00 176.91 179.23 1lk5 h GLU 107 N 0.04 -0.28 -0.48 1.72 5.08 -1.36 -2.06 114.58 117.24 1lk5 h GLU 107 Ca 0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1lk5 h GLU 107 Cb 0.70 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1lk5 h GLU 107 CO 0.05 -0.13 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.67 1lk5 h LYS 108 N -0.36 0.83 -0.52 2.33 3.64 -1.09 0.01 116.57 121.42 1lk5 h LYS 108 Ca -0.03 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1lk5 h LYS 108 Cb 0.27 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1lk5 h LYS 108 CO 0.05 0.87 0.25 0.82 -2.27 0.00 0.00 179.45 179.17 1lk5 h ILE 109 N 0.77 0.94 0.13 2.00 2.04 -1.14 0.18 117.51 122.42 1lk5 h ILE 109 Ca 0.14 -0.17 -0.29 0.00 1.00 0.00 0.00 64.86 65.54 1lk5 h ILE 109 Cb 0.53 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1lk5 h ILE 109 CO 0.03 0.09 -1.24 0.40 0.00 0.00 0.00 178.15 177.43 1lk5 h ILE 110 N 0.49 1.33 0.00 -0.67 2.04 -1.17 -3.35 117.51 116.18 1lk5 h ILE 110 Ca 0.23 -2.59 -0.15 0.00 1.00 0.00 0.00 64.86 63.35 1lk5 h ILE 110 Cb 0.16 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1lk5 h ILE 110 CO -0.17 0.78 -0.72 -0.33 0.00 0.00 0.00 178.15 177.70 1lk5 h GLU 111 N 0.22 0.00 -0.35 2.37 5.08 -0.79 -3.01 114.58 118.11 1lk5 h GLU 111 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1lk5 h GLU 111 Cb 1.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1lk5 h GLU 111 CO 0.23 0.72 0.22 -0.92 -1.00 0.00 0.00 179.01 178.26 1lk5 h TYR 112 N 0.00 0.44 -0.20 4.33 3.20 -1.09 -2.50 116.97 121.15 1lk5 h TYR 112 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lk5 h TYR 112 Cb 1.39 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1lk5 h TYR 112 CO 0.00 0.29 0.00 0.54 -1.64 0.00 0.00 178.16 177.35 1lk5 n ARG 113 N -4.48 2.12 -2.77 1.82 3.00 -1.14 -4.98 116.66 110.24 1lk5 n ARG 113 Ca 0.02 -1.67 -0.40 0.00 -0.01 0.00 0.00 57.85 55.79 1lk5 n ARG 113 Cb 0.07 -1.46 -0.06 0.00 0.00 0.00 0.00 32.46 31.01 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 -1.76 3.33 0.17 7.54 0.00 -0.95 -4.26 121.76 125.84 1lk5 s ALA 114 Ca 0.34 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1lk5 s ALA 114 Cb 0.20 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 20.23 1lk5 s ALA 114 CO 0.30 0.16 1.77 0.78 0.00 0.00 0.00 175.76 178.78 1lk5 h GLY 115 N 4.50 0.61 -6.33 0.00 0.00 -0.80 -3.41 103.07 97.63 1lk5 h GLY 115 Ca -0.45 -0.14 -0.38 0.00 0.00 0.00 0.00 47.33 46.36 1lk5 h GLY 115 CO 0.69 0.08 -0.76 -1.59 0.00 0.00 0.00 176.54 174.96 1lk5 s THR 116 N -6.14 0.38 -0.34 4.70 2.01 -0.72 -5.01 115.64 110.51 1lk5 s THR 116 Ca -0.13 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 1lk5 s THR 116 Cb 0.13 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.22 1lk5 s THR 116 CO 0.73 0.19 0.16 0.12 -0.69 0.00 0.00 174.62 175.13 1lk5 s PHE 117 N 1.01 3.22 -0.24 4.92 5.36 -1.26 -0.93 117.98 130.06 1lk5 s PHE 117 Ca -0.10 -0.96 -0.08 0.00 -0.96 0.00 0.00 56.93 54.83 1lk5 s PHE 117 Cb -0.14 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1lk5 s PHE 117 CO -0.01 -0.61 0.10 0.42 -1.46 0.00 0.00 175.22 173.67 1lk5 s ILE 118 N 1.53 4.76 -0.18 3.12 1.01 0.54 -1.21 121.20 130.76 1lk5 s ILE 118 Ca 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 1lk5 s ILE 118 Cb -0.18 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 1lk5 s ILE 118 CO 0.05 0.35 0.11 -0.69 0.00 0.00 0.00 174.94 174.76 1lk5 s VAL 119 N 1.30 5.21 -0.22 2.92 1.01 0.19 -2.07 120.40 128.74 1lk5 s VAL 119 Ca 0.06 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1lk5 s VAL 119 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1lk5 s VAL 119 CO 0.05 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1lk5 s LEU 120 N 0.15 3.21 0.05 3.92 1.02 0.59 -0.30 118.68 127.33 1lk5 s LEU 120 Ca 0.08 -0.25 -0.05 0.00 0.02 0.00 0.00 54.13 53.93 1lk5 s LEU 120 Cb -0.12 -1.83 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1lk5 s LEU 120 CO -0.01 0.02 0.07 0.68 0.02 0.00 0.00 176.35 177.14 1lk5 s VAL 121 N 1.26 0.16 0.51 -1.59 -7.23 -0.66 -4.06 120.40 108.80 1lk5 s VAL 121 Ca 0.04 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1lk5 s VAL 121 Cb -0.15 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.66 1lk5 s VAL 121 CO 0.01 -0.73 0.72 1.51 -0.31 0.00 0.00 175.10 176.30 1lk5 s ASP 122 N -2.51 5.43 0.32 4.85 1.47 -1.26 -0.94 116.67 124.02 1lk5 s ASP 122 Ca 0.00 -0.03 0.13 0.00 1.18 0.00 0.00 52.55 53.84 1lk5 s ASP 122 Cb 0.03 -0.95 1.04 0.00 -0.34 0.00 0.00 42.92 42.70 1lk5 s ASP 122 CO -0.08 -1.01 1.44 1.21 0.68 0.00 0.00 175.17 177.42 1lk5 n GLU 123 N -2.22 -0.06 0.28 2.11 2.13 -0.44 -1.61 120.64 120.83 1lk5 n GLU 123 Ca 0.07 1.30 0.13 0.00 0.66 0.00 0.00 57.16 59.32 1lk5 n GLU 123 Cb 0.59 -2.23 0.80 0.00 0.27 0.00 0.00 31.44 30.87 1lk5 n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1lk5 h ARG 124 N 0.00 0.00 0.00 5.31 3.08 -1.94 -3.00 114.38 117.82 1lk5 h ARG 124 Ca 0.70 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.69 1lk5 h ARG 124 Cb 1.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 1lk5 h ARG 124 CO -0.76 0.06 -0.25 0.87 -1.07 0.00 0.00 179.97 178.82 1lk5 h LYS 125 N 0.00 0.00 -6.63 0.04 6.56 -1.58 -3.45 116.57 111.51 1lk5 h LYS 125 Ca -0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1lk5 h LYS 125 Cb 0.15 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.84 1lk5 h LYS 125 CO 0.01 0.25 0.70 -0.51 -2.06 0.00 0.00 179.45 177.84 1lk5 s LEU 126 N -6.64 4.39 0.16 2.94 1.43 -1.14 -0.55 118.68 119.28 1lk5 s LEU 126 Ca 0.02 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 1lk5 s LEU 126 Cb 0.09 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.66 1lk5 s LEU 126 CO 0.66 -0.61 -0.06 0.68 0.23 0.00 0.00 176.35 177.24 1lk5 s VAL 127 N 0.52 1.01 0.15 -1.59 -7.23 0.47 -4.86 120.40 108.87 1lk5 s VAL 127 Ca 0.61 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1lk5 s VAL 127 Cb -0.38 -1.98 -0.16 0.00 0.56 0.00 0.00 36.38 34.42 1lk5 s VAL 127 CO 0.36 -0.63 1.35 0.44 -0.31 0.00 0.00 175.10 176.31 1lk5 h ASP 128 N 2.72 0.27 -5.00 4.85 3.32 -1.96 -3.31 116.42 117.30 1lk5 h ASP 128 Ca -0.37 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 56.39 1lk5 h ASP 128 Cb 1.20 -0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.49 1lk5 h ASP 128 CO 0.64 1.04 0.08 -0.72 -1.72 0.00 0.00 179.24 178.56 1lk5 s TYR 129 N -3.15 -0.51 0.29 4.55 -0.85 -1.26 -4.50 117.35 111.92 1lk5 s TYR 129 Ca -0.03 0.75 -0.30 0.00 -0.52 0.00 0.00 57.07 56.98 1lk5 s TYR 129 Cb 0.10 0.36 -0.11 0.00 0.38 0.00 0.00 41.96 42.68 1lk5 s TYR 129 CO 0.83 -0.61 1.55 -0.51 -1.52 0.00 0.00 175.55 175.29 1lk5 s LEU 130 N -1.55 4.35 0.00 -3.49 1.43 -1.26 -2.02 118.68 116.14 1lk5 s LEU 130 Ca -0.09 2.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1lk5 s LEU 130 Cb -0.01 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1lk5 s LEU 130 CO 0.04 -0.86 0.00 0.00 0.23 0.00 0.00 176.35 175.76 1lk5 h GLN 132 N 1.47 1.02 0.00 0.00 4.15 -1.70 -3.38 115.11 116.68 1lk5 h GLN 132 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1lk5 h GLN 132 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1lk5 h GLN 132 CO 0.00 0.67 -0.71 0.36 -1.93 0.00 0.00 178.83 177.22 1lk5 n LYS 133 N -4.56 1.96 -4.23 1.69 2.85 -1.26 -5.10 118.16 109.50 1lk5 n LYS 133 Ca 0.10 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.18 1lk5 n LYS 133 Cb 0.08 -0.86 -0.11 0.00 -0.65 0.00 0.00 35.03 33.49 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 -1.49 0.99 0.75 -1.58 -1.94 -1.26 -5.15 119.30 109.62 1lk5 s MET 134 Ca 0.00 -1.19 -0.10 0.00 -1.71 0.00 0.00 55.69 52.69 1lk5 s MET 134 Cb 0.00 -0.92 0.06 0.00 2.01 0.00 0.00 34.83 35.98 1lk5 s MET 134 CO 0.00 0.18 1.10 -1.25 -0.01 0.00 0.00 175.02 175.04 1lk5 s PRO 135 N -2.47 2.27 -0.33 2.03 0.04 -1.26 -4.01 135.00 131.26 1lk5 s PRO 135 Ca 0.07 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.00 1lk5 s PRO 135 Cb -0.06 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1lk5 s PRO 135 CO 0.03 -1.33 0.55 0.08 0.04 0.00 0.00 177.00 176.37 1lk5 s VAL 136 N -3.41 4.99 0.26 -0.36 1.01 0.90 -4.83 120.40 118.96 1lk5 s VAL 136 Ca 0.60 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 1lk5 s VAL 136 Cb -0.11 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1lk5 s VAL 136 CO 0.48 -0.18 1.23 -2.84 0.00 0.00 0.00 175.10 173.79 1lk5 s PRO 137 N 2.47 4.47 -0.12 2.72 0.02 -1.26 -1.08 135.00 142.21 1lk5 s PRO 137 Ca 0.21 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 1lk5 s PRO 137 Cb -0.15 -3.16 0.03 0.00 0.02 0.00 0.00 34.50 31.23 1lk5 s PRO 137 CO 0.13 -0.07 -0.07 0.42 -0.33 0.00 0.00 177.00 177.08 1lk5 s ILE 138 N -0.66 1.03 -0.09 2.83 1.01 0.12 0.05 121.20 125.49 1lk5 s ILE 138 Ca 0.50 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 1lk5 s ILE 138 Cb -0.35 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1lk5 s ILE 138 CO 0.43 0.32 0.69 -0.70 0.00 0.00 0.00 174.94 175.69 1lk5 s GLU 139 N 1.70 4.40 0.04 2.79 2.12 -0.35 -0.66 118.70 128.73 1lk5 s GLU 139 Ca 0.04 0.85 0.03 0.00 0.36 0.00 0.00 54.97 56.24 1lk5 s GLU 139 Cb -0.13 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1lk5 s GLU 139 CO -0.08 0.00 -0.08 0.14 -0.54 0.00 0.00 175.26 174.70 1lk5 s VAL 140 N 1.02 0.60 0.12 3.70 -7.23 -0.03 -0.24 120.40 118.34 1lk5 s VAL 140 Ca 0.36 -0.93 -0.32 0.00 -1.81 0.00 0.00 61.98 59.28 1lk5 s VAL 140 Cb -0.17 -0.63 -0.12 0.00 0.56 0.00 0.00 36.38 36.02 1lk5 s VAL 140 CO 0.16 -0.25 1.77 -0.38 -0.31 0.00 0.00 175.10 176.09 1lk5 n ILE 141 N 1.75 0.25 -0.24 -0.62 2.08 -0.29 -1.52 119.36 120.77 1lk5 n ILE 141 Ca -0.20 -0.05 0.02 0.00 0.56 0.00 0.00 62.75 63.08 1lk5 n ILE 141 Cb 0.55 -1.95 0.11 0.00 -0.75 0.00 0.00 39.64 37.61 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 7.77 0.05 0.00 0.38 0.11 -1.91 -1.43 132.00 136.98 1lk5 h PRO 142 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1lk5 h PRO 142 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lk5 h PRO 142 CO 0.94 0.04 0.00 0.37 -0.21 0.00 0.00 178.00 179.13 1lk5 h GLN 143 N 0.06 0.00 -0.14 1.05 4.15 -1.99 -2.06 115.11 116.18 1lk5 h GLN 143 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1lk5 h GLN 143 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1lk5 h GLN 143 CO -0.66 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.24 1lk5 n ALA 144 N -1.99 2.49 -0.21 3.38 0.00 -0.54 -4.58 120.51 119.06 1lk5 n ALA 144 Ca -0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 1lk5 n ALA 144 Cb 0.08 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 3.61 0.77 -0.30 0.00 5.08 -1.45 -1.49 115.95 122.16 1lk5 h TRP 145 Ca 0.00 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.88 1lk5 h TRP 145 Cb 0.78 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.67 1lk5 h TRP 145 CO 0.08 0.49 -0.21 -0.22 -1.28 0.00 0.00 178.44 177.29 1lk5 h LYS 146 N 0.82 0.68 -0.85 0.12 3.64 -1.84 -2.27 116.57 116.88 1lk5 h LYS 146 Ca 0.22 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1lk5 h LYS 146 Cb -0.09 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1lk5 h LYS 146 CO -0.05 0.93 0.43 0.00 -2.27 0.00 0.00 179.45 178.49 1lk5 h ALA 147 N 0.74 1.15 -0.34 5.00 0.00 -1.81 -2.12 119.26 121.89 1lk5 h ALA 147 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1lk5 h ALA 147 Cb 0.76 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1lk5 h ALA 147 CO 0.06 0.65 -0.24 0.82 0.00 0.00 0.00 179.25 180.54 1lk5 h ILE 148 N 1.20 1.29 -0.73 0.00 2.04 -1.15 -1.15 117.51 119.02 1lk5 h ILE 148 Ca 0.29 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.79 1lk5 h ILE 148 Cb 0.09 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1lk5 h ILE 148 CO -0.04 0.45 0.46 0.40 0.00 0.00 0.00 178.15 179.42 1lk5 h ILE 149 N 0.53 1.11 -0.47 -0.67 2.04 -1.21 -0.95 117.51 117.88 1lk5 h ILE 149 Ca 0.06 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 1lk5 h ILE 149 Cb 0.80 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1lk5 h ILE 149 CO 0.06 0.16 0.11 -0.33 0.00 0.00 0.00 178.15 178.15 1lk5 h GLU 150 N 0.90 0.77 0.00 2.37 5.08 -1.20 -2.57 114.58 119.92 1lk5 h GLU 150 Ca 0.29 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1lk5 h GLU 150 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1lk5 h GLU 150 CO -0.11 0.76 -0.21 0.93 -1.00 0.00 0.00 179.01 179.38 1lk5 h GLU 151 N 0.64 0.00 0.00 2.33 5.08 -0.80 -2.40 114.58 119.44 1lk5 h GLU 151 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1lk5 h GLU 151 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1lk5 h GLU 151 CO 0.00 0.21 0.00 1.28 -1.00 0.00 0.00 179.01 179.51 1lk5 n LEU 152 N -4.08 0.01 0.26 1.33 4.77 -0.40 -3.07 117.00 115.82 1lk5 n LEU 152 Ca -0.02 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.57 1lk5 n LEU 152 Cb 0.28 -0.50 0.70 0.00 -2.33 0.00 0.00 43.42 41.57 1lk5 n LEU 152 CO 0.35 -0.28 1.00 0.77 -1.33 0.00 0.00 177.39 177.91 1lk5 h SER 153 N 0.00 0.00 0.29 -1.43 4.64 -1.48 -1.89 113.55 113.69 1lk5 h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lk5 h SER 153 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1lk5 h SER 153 CO 0.00 0.10 0.00 2.30 -0.87 0.00 0.00 176.83 178.36 1lk5 n ILE 154 N -3.99 0.80 0.24 0.95 -5.35 -1.17 -0.30 119.36 110.54 1lk5 n ILE 154 Ca -0.02 0.20 0.08 0.00 -0.27 0.00 0.00 62.75 62.74 1lk5 n ILE 154 Cb 0.18 -0.99 0.14 0.00 -1.74 0.00 0.00 39.64 37.23 1lk5 n ILE 154 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1lk5 n PHE 155 N -1.35 0.31 -2.80 4.28 0.99 -0.71 -4.95 117.46 113.23 1lk5 n PHE 155 Ca 0.05 -0.23 -0.20 0.00 -0.00 0.00 0.00 57.45 57.07 1lk5 n PHE 155 Cb 0.11 -0.01 0.01 0.00 -1.00 0.00 0.00 39.48 38.59 1lk5 n PHE 155 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1lk5 n ASN 156 N 0.92 -5.21 -4.80 4.37 3.02 0.58 -4.68 115.26 109.47 1lk5 n ASN 156 Ca 0.13 -0.14 -0.37 0.00 -0.03 0.00 0.00 54.58 54.17 1lk5 n ASN 156 Cb 0.45 -4.29 -0.06 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.99 3.35 -0.42 5.41 0.00 -1.20 -4.57 121.76 121.35 1lk5 s ALA 157 Ca 0.18 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.26 1lk5 s ALA 157 Cb -0.09 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1lk5 s ALA 157 CO 0.22 0.27 0.56 0.21 0.00 0.00 0.00 175.76 177.02 1lk5 s LYS 158 N -1.86 3.28 -0.09 0.00 2.20 -0.45 -4.65 119.74 118.17 1lk5 s LYS 158 Ca 0.44 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1lk5 s LYS 158 Cb -0.18 -3.93 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 1lk5 s LYS 158 CO 0.23 -0.89 -0.22 0.00 -0.36 0.00 0.00 175.35 174.11 1lk5 s ALA 159 N 2.53 2.29 0.01 3.13 0.00 -1.26 0.06 121.76 128.51 1lk5 s ALA 159 Ca 0.19 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1lk5 s ALA 159 Cb -0.15 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1lk5 s ALA 159 CO 0.16 0.34 -0.05 -1.21 0.00 0.00 0.00 175.76 175.00 1lk5 s GLU 160 N 0.12 0.41 0.09 0.00 2.02 -0.55 -4.97 118.70 115.82 1lk5 s GLU 160 Ca -0.11 -0.31 -0.31 0.00 0.02 0.00 0.00 54.97 54.27 1lk5 s GLU 160 Cb -0.16 -0.34 -0.07 0.00 0.10 0.00 0.00 34.13 33.66 1lk5 s GLU 160 CO 0.06 0.09 1.36 -1.17 0.02 0.00 0.00 175.26 175.61 1lk5 s LEU 161 N -0.47 4.36 0.00 1.80 2.96 -1.26 -0.96 118.68 125.11 1lk5 s LEU 161 Ca -0.01 2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.83 1lk5 s LEU 161 Cb -0.04 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 1lk5 s LEU 161 CO -0.00 -0.63 1.08 -0.60 -1.32 0.00 0.00 176.35 174.88 1lk5 s ARG 162 N 1.28 4.48 0.01 1.98 3.52 0.39 -4.93 118.95 125.69 1lk5 s ARG 162 Ca 0.63 1.55 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 1lk5 s ARG 162 Cb -0.35 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.56 1lk5 s ARG 162 CO 0.29 -0.19 0.06 -1.64 -0.81 0.00 0.00 175.30 173.01 1lk5 s MET 163 N 1.28 2.97 0.60 5.12 -1.94 -1.26 -1.19 119.30 124.88 1lk5 s MET 163 Ca 0.54 -0.54 -0.15 0.00 -1.71 0.00 0.00 55.69 53.82 1lk5 s MET 163 Cb -0.24 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 1lk5 s MET 163 CO 0.26 0.63 1.06 0.20 -0.01 0.00 0.00 175.02 177.17 1lk5 s GLY 164 N -1.76 2.11 -0.11 -0.03 0.00 0.22 -4.54 107.32 103.20 1lk5 s GLY 164 Ca 0.23 0.39 -0.03 0.00 0.00 0.00 0.00 44.72 45.31 1lk5 s GLY 164 CO 0.14 0.71 -0.12 -0.62 0.00 0.00 0.00 173.10 173.21 1lk5 n VAL 165 N -2.11 0.61 -0.24 1.40 0.31 -1.26 -4.61 118.33 112.42 1lk5 n VAL 165 Ca 0.09 -0.18 0.06 0.00 -0.01 0.00 0.00 64.34 64.30 1lk5 n VAL 165 Cb 0.53 -1.36 0.29 0.00 -0.91 0.00 0.00 33.84 32.39 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 -3.24 4.12 -3.88 4.52 3.02 -1.26 -4.77 115.26 113.77 1lk5 n ASN 166 Ca -0.21 -2.50 -0.10 0.00 -0.03 0.00 0.00 54.58 51.75 1lk5 n ASN 166 Cb 0.67 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.01 0.71 0.70 3.52 -2.85 -1.26 -5.16 119.74 113.38 1lk5 s LYS 167 Ca 0.40 -0.79 -0.11 0.00 -1.00 0.00 0.00 55.97 54.47 1lk5 s LYS 167 Cb 0.28 0.29 0.01 0.00 -2.06 0.00 0.00 37.83 36.35 1lk5 s LYS 167 CO 0.16 -0.20 1.09 -0.51 0.10 0.00 0.00 175.35 175.98 1lk5 s ASP 168 N -2.37 5.46 0.30 0.03 1.01 -1.26 -4.29 116.67 115.54 1lk5 s ASP 168 Ca -0.01 1.22 0.00 0.00 0.71 0.00 0.00 52.55 54.46 1lk5 s ASP 168 Cb 0.01 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1lk5 s ASP 168 CO -0.06 -1.34 0.00 0.61 0.21 0.00 0.00 175.17 174.58 1lk5 n GLY 169 N -2.81 -1.61 3.78 0.21 0.00 -1.26 -4.77 105.19 98.73 1lk5 n GLY 169 Ca 0.07 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 3.36 0.33 1.61 0.02 -1.26 -0.61 135.00 138.45 1lk5 s PRO 170 Ca 0.00 1.55 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 1lk5 s PRO 170 Cb 0.00 -2.01 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 1lk5 s PRO 170 CO 0.00 -0.83 1.52 0.08 -0.33 0.00 0.00 177.00 177.45 1lk5 s VAL 171 N -1.86 2.14 -0.15 3.83 1.01 -0.34 -4.43 120.40 120.61 1lk5 s VAL 171 Ca 0.71 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 1lk5 s VAL 171 Cb -0.22 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1lk5 s VAL 171 CO 0.27 0.03 -0.07 -0.63 0.00 0.00 0.00 175.10 174.70 1lk5 s ILE 172 N -0.52 3.60 0.88 2.22 -1.09 -1.26 -4.23 121.20 120.79 1lk5 s ILE 172 Ca 0.58 -0.46 -0.13 0.00 -2.23 0.00 0.00 60.65 58.41 1lk5 s ILE 172 Cb -0.46 -2.56 0.12 0.00 -1.58 0.00 0.00 42.46 37.98 1lk5 s ILE 172 CO 0.54 0.50 1.18 0.42 -1.23 0.00 0.00 174.94 176.35 1lk5 s THR 173 N 0.37 1.99 0.65 2.92 -4.23 0.02 -4.88 115.64 112.48 1lk5 s THR 173 Ca -0.06 0.00 0.43 0.00 -1.18 0.00 0.00 61.69 60.87 1lk5 s THR 173 Cb -0.15 -2.89 0.44 0.00 1.34 0.00 0.00 72.50 71.23 1lk5 s THR 173 CO 0.04 0.00 2.36 0.44 -0.54 0.00 0.00 174.62 176.91 1lk5 h ASP 174 N -1.34 0.00 -0.24 3.99 3.32 -1.90 0.46 116.42 120.70 1lk5 h ASP 174 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 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 0.60 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.71 1lk5 n ASN 175 N -3.19 2.58 0.00 6.45 4.13 -1.26 -4.95 115.26 119.02 1lk5 n ASN 175 Ca -0.03 -1.86 0.00 0.00 1.68 0.00 0.00 54.58 54.37 1lk5 n ASN 175 Cb 0.08 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 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 0.63 3.93 7.41 0.00 0.15 -5.05 105.19 113.58 1lk5 n GLY 176 Ca 0.17 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.24 5.42 0.47 1.61 0.01 -1.26 -4.78 114.94 114.17 1lk5 s ASN 177 Ca 0.00 -0.52 -0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1lk5 s ASN 177 Cb 0.00 -0.75 -0.00 0.00 0.41 0.00 0.00 41.25 40.91 1lk5 s ASN 177 CO 0.00 -0.61 0.70 -0.36 -1.51 0.00 0.00 177.10 175.31 1lk5 s PHE 178 N -2.36 3.20 -0.09 2.20 0.08 -0.58 -0.79 117.98 119.64 1lk5 s PHE 178 Ca 0.49 0.26 0.03 0.00 0.12 0.00 0.00 56.93 57.83 1lk5 s PHE 178 Cb -0.07 -2.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1lk5 s PHE 178 CO 0.30 -0.43 -0.18 0.42 -0.10 0.00 0.00 175.22 175.23 1lk5 s ILE 179 N -2.61 1.59 -0.17 0.64 -1.09 -1.26 -0.85 121.20 117.46 1lk5 s ILE 179 Ca 0.49 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 58.13 1lk5 s ILE 179 Cb -0.10 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 1lk5 s ILE 179 CO 0.39 0.46 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.92 1lk5 s ILE 180 N 0.61 4.16 -0.27 2.92 1.01 0.16 -0.46 121.20 129.33 1lk5 s ILE 180 Ca -0.15 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1lk5 s ILE 180 Cb -0.16 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1lk5 s ILE 180 CO 0.05 0.48 0.16 -1.81 0.00 0.00 0.00 174.94 173.82 1lk5 s ASP 181 N 0.41 5.85 -0.24 3.58 1.01 -0.14 0.12 116.67 127.27 1lk5 s ASP 181 Ca -0.02 -0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.17 1lk5 s ASP 181 Cb -0.14 -2.08 0.01 0.00 1.01 0.00 0.00 42.92 41.72 1lk5 s ASP 181 CO 0.02 -0.03 -0.03 0.00 0.21 0.00 0.00 175.17 175.34 1lk5 s ALA 182 N 1.65 2.80 -0.51 5.23 0.00 -0.25 -1.48 121.76 129.21 1lk5 s ALA 182 Ca 0.07 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 1lk5 s ALA 182 Cb -0.16 -1.76 0.08 0.00 0.00 0.00 0.00 23.12 21.28 1lk5 s ALA 182 CO 0.09 -0.66 0.54 0.21 0.00 0.00 0.00 175.76 175.94 1lk5 s LYS 183 N 1.42 3.04 0.37 0.00 2.47 0.11 -0.07 119.74 127.08 1lk5 s LYS 183 Ca 0.03 -1.20 -0.11 0.00 -1.56 0.00 0.00 55.97 53.12 1lk5 s LYS 183 Cb -0.16 -4.16 -0.07 0.00 -1.46 0.00 0.00 37.83 31.99 1lk5 s LYS 183 CO -0.03 -1.21 0.73 -0.06 0.16 0.00 0.00 175.35 174.95 1lk5 s PHE 184 N 2.17 3.44 0.13 4.03 0.40 -1.26 -1.34 117.98 125.56 1lk5 s PHE 184 Ca 0.09 1.05 -0.26 0.00 -0.60 0.00 0.00 56.93 57.22 1lk5 s PHE 184 Cb -0.23 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.85 1lk5 s PHE 184 CO 0.08 -0.02 1.62 -1.00 0.70 0.00 0.00 175.22 176.60 1lk5 h PRO 185 N 1.60 -0.38 -2.01 0.24 0.13 -1.83 -3.45 132.00 126.30 1lk5 h PRO 185 Ca -0.47 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1lk5 h PRO 185 Cb 1.18 0.09 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 1lk5 h PRO 185 CO 0.65 -0.25 0.49 -0.98 -0.23 0.00 0.00 178.00 177.68 1lk5 s ARG 186 N -6.02 0.76 -0.34 0.86 1.70 -1.26 -4.74 118.95 109.91 1lk5 s ARG 186 Ca -0.15 -0.11 -0.03 0.00 -0.47 0.00 0.00 55.73 54.97 1lk5 s ARG 186 Cb 0.10 0.35 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 1lk5 s ARG 186 CO 0.66 -0.30 0.08 0.42 -1.08 0.00 0.00 175.30 175.08 1lk5 s ILE 187 N -2.29 3.23 0.04 4.99 1.01 -0.84 -4.96 121.20 122.38 1lk5 s ILE 187 Ca 0.02 -1.53 0.09 0.00 0.00 0.00 0.00 60.65 59.23 1lk5 s ILE 187 Cb -0.01 -2.96 -0.17 0.00 0.01 0.00 0.00 42.46 39.34 1lk5 s ILE 187 CO -0.04 -0.29 1.20 0.44 0.00 0.00 0.00 174.94 176.25 1lk5 h ASP 188 N 8.05 0.00 -2.61 3.58 3.32 -2.01 -3.39 116.42 123.36 1lk5 h ASP 188 Ca -0.19 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.25 1lk5 h ASP 188 Cb 1.06 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.20 1lk5 h ASP 188 CO 0.59 0.90 -0.67 0.47 -1.72 0.00 0.00 179.24 178.81 1lk5 n ASP 189 N -3.27 2.61 -0.07 6.45 8.00 -1.26 -4.99 116.55 124.02 1lk5 n ASP 189 Ca -0.02 -3.15 -0.07 0.00 0.71 0.00 0.00 54.79 52.26 1lk5 n ASP 189 Cb 0.92 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1lk5 n ASP 189 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1lk5 h PRO 190 N 4.90 -0.06 -0.41 -0.24 0.11 -2.00 -1.64 132.00 132.66 1lk5 h PRO 190 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.30 1lk5 h PRO 190 Cb 0.75 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1lk5 h PRO 190 CO 0.69 -0.04 0.26 1.25 -0.21 0.00 0.00 178.00 179.95 1lk5 h LEU 191 N -0.06 0.43 -0.91 2.35 5.85 -1.94 0.62 115.31 121.64 1lk5 h LEU 191 Ca 0.15 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1lk5 h LEU 191 Cb 0.29 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1lk5 h LEU 191 CO -0.34 0.31 0.59 0.44 -0.34 0.00 0.00 178.44 179.10 1lk5 h ASP 192 N 0.52 0.98 -0.30 1.25 3.32 -1.91 -1.22 116.42 119.07 1lk5 h ASP 192 Ca 0.16 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1lk5 h ASP 192 Cb -0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1lk5 h ASP 192 CO -0.06 0.68 -0.31 -0.03 -1.72 0.00 0.00 179.24 177.80 1lk5 h MET 193 N 1.15 0.82 -0.84 3.56 4.05 -0.78 -1.09 114.93 121.79 1lk5 h MET 193 Ca 0.36 -0.38 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1lk5 h MET 193 Cb -0.00 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 1lk5 h MET 193 CO -0.12 1.02 0.53 1.49 0.23 0.00 0.00 176.91 180.06 1lk5 h GLU 194 N 0.69 0.99 -0.08 0.39 4.81 -0.31 -1.46 114.58 119.61 1lk5 h GLU 194 Ca 0.08 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1lk5 h GLU 194 Cb 0.86 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1lk5 h GLU 194 CO 0.08 0.65 -0.06 0.82 -0.73 0.00 0.00 179.01 179.76 1lk5 h ILE 195 N 1.02 1.36 -0.41 2.32 2.04 -0.97 -3.08 117.51 119.78 1lk5 h ILE 195 Ca 0.35 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 65.08 1lk5 h ILE 195 Cb 0.06 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1lk5 h ILE 195 CO -0.13 0.33 0.14 -0.08 0.00 0.00 0.00 178.15 178.40 1lk5 h GLU 196 N -0.23 0.29 -0.89 2.37 4.57 -0.93 -2.19 114.58 117.56 1lk5 h GLU 196 Ca 0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1lk5 h GLU 196 Cb 0.56 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 1lk5 h GLU 196 CO 0.02 0.19 0.50 -0.07 -1.18 0.00 0.00 179.01 178.47 1lk5 h LEU 197 N 0.30 1.10 -0.64 1.64 3.38 -1.34 -1.86 115.31 117.90 1lk5 h LEU 197 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1lk5 h LEU 197 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1lk5 h LEU 197 CO -0.21 0.87 0.00 0.59 0.09 0.00 0.00 178.44 179.79 1lk5 n ASN 198 N -4.34 0.68 0.02 -0.43 3.02 -0.86 -2.11 115.26 111.24 1lk5 n ASN 198 Ca 0.10 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.44 1lk5 n ASN 198 Cb 0.09 -0.81 0.56 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.24 0.19 -2.52 3.41 -2.24 -0.70 -4.77 114.28 105.41 1lk5 n THR 199 Ca 0.02 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1lk5 n THR 199 Cb 0.25 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.02 4.43 0.05 2.28 1.01 -0.90 -4.96 121.20 120.09 1lk5 s ILE 200 Ca 0.13 1.73 -0.33 0.00 0.00 0.00 0.00 60.65 62.17 1lk5 s ILE 200 Cb 0.17 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 1lk5 s ILE 200 CO 0.52 -0.13 1.76 -2.65 0.00 0.00 0.00 174.94 174.44 1lk5 n PRO 201 N 6.28 2.29 0.00 2.79 -0.02 -1.26 -1.29 135.00 143.78 1lk5 n PRO 201 Ca 0.13 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1lk5 n PRO 201 Cb 0.46 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.99 3.06 3.66 -1.23 0.00 -1.26 -4.96 105.19 108.46 1lk5 n GLY 202 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.68 4.79 -0.06 1.61 1.01 -0.41 -1.14 120.40 123.52 1lk5 s VAL 203 Ca 0.00 1.77 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 1lk5 s VAL 203 Cb 0.00 -4.20 -0.30 0.00 0.00 0.00 0.00 36.38 31.88 1lk5 s VAL 203 CO 0.00 -0.08 0.84 0.40 0.00 0.00 0.00 175.10 176.26 1lk5 h ILE 204 N 5.36 1.47 -1.89 2.22 1.08 -0.93 -3.47 117.51 121.35 1lk5 h ILE 204 Ca -0.24 -2.51 0.16 0.00 -0.39 0.00 0.00 64.86 61.89 1lk5 h ILE 204 Cb 1.09 3.15 -0.18 0.00 -3.07 0.00 0.00 36.82 37.82 1lk5 h ILE 204 CO 0.90 0.70 0.62 -0.70 -0.69 0.00 0.00 178.15 178.98 1lk5 s GLU 205 N -2.42 0.60 0.17 2.37 2.56 -1.20 -5.02 118.70 115.76 1lk5 s GLU 205 Ca -0.15 -0.17 0.05 0.00 0.00 0.00 0.00 54.97 54.70 1lk5 s GLU 205 Cb 0.01 0.28 -0.05 0.00 2.00 0.00 0.00 34.13 36.37 1lk5 s GLU 205 CO 0.81 -0.25 -0.11 0.54 -0.56 0.00 0.00 175.26 175.69 1lk5 s ASN 206 N -2.17 2.05 0.00 -1.70 2.20 -1.26 -1.21 114.94 112.85 1lk5 s ASN 206 Ca 0.06 -1.03 0.24 0.00 -0.94 0.00 0.00 52.86 51.18 1lk5 s ASN 206 Cb -0.01 -0.05 1.21 0.00 -2.00 0.00 0.00 41.25 40.40 1lk5 s ASN 206 CO -0.06 -0.29 1.78 0.61 -2.94 0.00 0.00 177.10 176.19 1lk5 n GLY 207 N -0.28 -1.02 3.69 0.45 0.00 0.11 -4.75 105.19 103.39 1lk5 n GLY 207 Ca -0.09 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.50 4.02 -0.56 -0.61 1.01 -1.26 -0.13 121.20 121.16 1lk5 s ILE 208 Ca 0.24 1.39 0.04 0.00 0.00 0.00 0.00 60.65 62.32 1lk5 s ILE 208 Cb 0.16 -3.89 0.14 0.00 0.01 0.00 0.00 42.46 38.88 1lk5 s ILE 208 CO 0.35 0.02 0.33 -0.36 0.00 0.00 0.00 174.94 175.28 1lk5 s PHE 209 N 2.02 3.12 0.07 3.97 0.40 0.04 -4.93 117.98 122.67 1lk5 s PHE 209 Ca 0.59 -3.13 -0.02 0.00 -0.60 0.00 0.00 56.93 53.77 1lk5 s PHE 209 Cb -0.28 -2.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.56 1lk5 s PHE 209 CO 0.25 -0.69 0.26 0.00 0.70 0.00 0.00 175.22 175.74 1lk5 s ALA 210 N -0.55 3.92 -1.51 5.36 0.00 -1.26 -1.09 121.76 126.62 1lk5 s ALA 210 Ca 0.20 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 1lk5 s ALA 210 Cb -0.19 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.03 1lk5 s ALA 210 CO -0.05 0.75 0.51 -0.25 0.00 0.00 0.00 175.76 176.72 1lk5 n ASP 211 N 0.38 -1.22 0.00 0.00 10.43 -1.26 -4.79 116.55 120.09 1lk5 n ASP 211 Ca -0.05 -1.03 0.00 0.00 2.57 0.00 0.00 54.79 56.28 1lk5 n ASP 211 Cb 0.52 -2.86 0.00 0.00 1.84 0.00 0.00 41.12 40.62 1lk5 n ASP 211 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1lk5 n ILE 212 N -4.42 0.00 -2.15 0.53 3.06 -1.26 -5.07 119.36 110.05 1lk5 n ILE 212 Ca -0.19 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.65 1lk5 n ILE 212 Cb 0.62 -0.18 -0.03 0.00 0.54 0.00 0.00 39.64 40.60 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 3.54 -0.26 1.51 0.00 -1.26 -4.61 121.76 119.37 1lk5 s ALA 213 Ca 0.00 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1lk5 s ALA 213 Cb 0.00 -3.49 -0.17 0.00 0.00 0.00 0.00 23.12 19.46 1lk5 s ALA 213 CO 0.00 -0.60 -0.22 -0.25 0.00 0.00 0.00 175.76 174.69 1lk5 n ASP 214 N 1.96 1.98 -3.92 0.00 8.00 -0.35 -4.82 116.55 119.40 1lk5 n ASP 214 Ca 0.04 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.32 1lk5 n ASP 214 Cb 0.42 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.52 0.40 -0.17 0.53 1.01 -1.04 -2.79 121.20 116.62 1lk5 s ILE 215 Ca -0.35 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1lk5 s ILE 215 Cb 0.10 -0.38 0.02 0.00 0.01 0.00 0.00 42.46 42.21 1lk5 s ILE 215 CO 0.59 0.14 -0.20 -0.69 0.00 0.00 0.00 174.94 174.78 1lk5 s VAL 216 N 0.27 2.05 -0.27 2.92 1.01 0.83 -0.64 120.40 126.58 1lk5 s VAL 216 Ca -0.03 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1lk5 s VAL 216 Cb -0.07 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1lk5 s VAL 216 CO -0.00 0.54 0.16 -0.63 0.00 0.00 0.00 175.10 175.17 1lk5 s ILE 217 N 1.18 5.11 -0.18 2.22 1.01 0.58 -0.29 121.20 130.83 1lk5 s ILE 217 Ca 0.02 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1lk5 s ILE 217 Cb -0.14 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1lk5 s ILE 217 CO -0.10 0.28 -0.10 -0.69 0.00 0.00 0.00 174.94 174.33 1lk5 s VAL 218 N 1.63 3.08 -0.19 2.92 1.01 0.77 -1.65 120.40 127.96 1lk5 s VAL 218 Ca 0.07 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 1lk5 s VAL 218 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1lk5 s VAL 218 CO 0.09 0.48 0.78 -0.83 0.00 0.00 0.00 175.10 175.62 1lk5 s GLY 219 N 1.04 2.04 0.46 4.51 0.00 -0.12 -0.63 107.32 114.62 1lk5 s GLY 219 Ca -0.00 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.68 1lk5 s GLY 219 CO -0.01 1.60 0.05 -0.51 0.00 0.00 0.00 173.10 174.23 1lk5 s THR 220 N 2.19 1.05 -0.43 0.90 -4.23 -0.71 -1.32 115.64 113.08 1lk5 s THR 220 Ca 0.36 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.10 1lk5 s THR 220 Cb -0.16 -2.34 0.24 0.00 1.34 0.00 0.00 72.50 71.58 1lk5 s THR 220 CO 0.11 0.00 1.70 0.54 -0.54 0.00 0.00 174.62 176.43 1lk5 n ARG 221 N -1.09 0.18 -0.22 3.99 1.74 -1.26 -2.64 116.66 117.37 1lk5 n ARG 221 Ca -0.13 0.47 0.09 0.00 -0.77 0.00 0.00 57.85 57.51 1lk5 n ARG 221 Cb 0.66 -1.89 0.19 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.24 1.92 0.00 5.56 1.02 -1.26 -4.28 120.64 121.36 1lk5 n GLU 222 Ca 0.01 -2.68 0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1lk5 n GLU 222 Cb 0.19 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.08 -1.01 3.79 0.62 0.00 -1.08 -5.03 105.19 101.40 1lk5 n GLY 223 Ca 0.18 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.70 3.86 -0.02 1.61 -7.23 -1.26 -1.75 120.40 114.91 1lk5 s VAL 224 Ca 0.00 1.34 0.02 0.00 -1.81 0.00 0.00 61.98 61.53 1lk5 s VAL 224 Cb 0.00 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1lk5 s VAL 224 CO 0.00 -0.08 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.90 1lk5 s LYS 225 N -2.71 0.67 -0.29 4.82 2.20 0.20 -4.95 119.74 119.69 1lk5 s LYS 225 Ca 0.60 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1lk5 s LYS 225 Cb -0.19 -0.66 0.05 0.00 -1.51 0.00 0.00 37.83 35.52 1lk5 s LYS 225 CO 0.24 0.07 -0.03 0.15 -0.36 0.00 0.00 175.35 175.42 1lk5 s LYS 226 N 0.23 2.40 -0.10 4.03 1.02 -1.26 -0.17 119.74 125.89 1lk5 s LYS 226 Ca -0.03 -1.28 -0.10 0.00 0.02 0.00 0.00 55.97 54.58 1lk5 s LYS 226 Cb -0.07 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1lk5 s LYS 226 CO -0.00 -0.60 0.23 -0.51 -0.92 0.00 0.00 175.35 173.54 1lk5 s LEU 227 N 1.22 4.38 0.04 3.17 1.43 0.60 -4.95 118.68 124.57 1lk5 s LEU 227 Ca -0.06 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1lk5 s LEU 227 Cb -0.20 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1lk5 s LEU 227 CO -0.02 0.33 -0.05 -1.61 0.23 0.00 0.00 176.35 175.23 1lk5 s GLU 228 N -0.74 0.49 0.00 1.70 2.02 -1.26 -0.12 118.70 120.78 1lk5 s GLU 228 Ca 0.17 -0.81 0.23 0.00 0.02 0.00 0.00 54.97 54.57 1lk5 s GLU 228 Cb -0.13 -0.08 1.36 0.00 0.10 0.00 0.00 34.13 35.37 1lk5 s GLU 228 CO 0.06 -0.01 1.73 0.54 0.02 0.00 0.00 175.26 177.60