#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu9 h LYS 9 N 0.00 0.13 -0.54 1.20 5.09 -2.05 -1.72 116.57 118.68 2pu9 h LYS 9 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 2pu9 h LYS 9 Cb 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.28 2pu9 h LYS 9 CO 0.00 0.26 0.35 1.15 -2.09 0.00 0.00 179.45 179.12 2pu9 h THR 10 N -0.03 1.14 -0.64 0.07 2.02 -1.99 -1.46 112.91 112.03 2pu9 h THR 10 Ca 0.03 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2pu9 h THR 10 Cb 0.18 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2pu9 h THR 10 CO -0.00 0.14 0.31 0.25 0.37 0.00 0.00 175.52 176.58 2pu9 h LEU 11 N 0.73 0.84 -0.53 2.58 5.85 -1.90 -0.50 115.31 122.38 2pu9 h LEU 11 Ca 0.20 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2pu9 h LEU 11 Cb -0.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2pu9 h LEU 11 CO -0.04 0.73 0.22 0.00 -0.34 0.00 0.00 178.44 179.02 2pu9 h ALA 12 N 1.14 0.68 -0.60 1.25 0.00 -1.03 0.41 119.26 121.12 2pu9 h ALA 12 Ca 0.22 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2pu9 h ALA 12 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2pu9 h ALA 12 CO -0.03 0.28 0.14 0.00 0.00 0.00 0.00 179.25 179.64 2pu9 h ALA 13 N 1.07 1.12 -0.40 0.00 0.00 -0.99 -0.69 119.26 119.37 2pu9 h ALA 13 Ca 0.18 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2pu9 h ALA 13 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2pu9 h ALA 13 CO -0.02 0.59 -0.35 1.98 0.00 0.00 0.00 179.25 181.46 2pu9 h MET 14 N 0.89 0.93 -0.29 0.00 -1.53 -0.64 -0.24 114.93 114.04 2pu9 h MET 14 Ca 0.19 -0.46 -0.03 0.00 -3.44 0.00 0.00 59.70 55.96 2pu9 h MET 14 Cb 0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 2pu9 h MET 14 CO 0.00 1.12 0.06 -0.22 0.14 0.00 0.00 176.91 178.01 2pu9 h LYS 15 N 0.77 0.47 -0.53 0.39 3.64 -0.65 -1.32 116.57 119.34 2pu9 h LYS 15 Ca 0.07 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2pu9 h LYS 15 Cb 0.93 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2pu9 h LYS 15 CO 0.09 0.56 0.12 -0.91 -2.27 0.00 0.00 179.45 177.04 2pu9 h ASN 16 N 0.30 0.76 -0.21 4.20 2.35 -1.03 -1.37 115.58 120.58 2pu9 h ASN 16 Ca 0.09 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2pu9 h ASN 16 Cb 0.31 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2pu9 h ASN 16 CO 0.00 0.76 0.12 0.15 -1.65 0.00 0.00 177.43 176.81 2pu9 h PHE 17 N 0.78 0.28 -0.55 1.19 3.57 -0.79 -1.08 116.94 120.36 2pu9 h PHE 17 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2pu9 h PHE 17 Cb 0.30 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 2pu9 h PHE 17 CO 0.02 0.24 0.35 0.00 -2.23 0.00 0.00 178.31 176.69 2pu9 h ALA 18 N 1.02 0.69 -0.60 2.41 0.00 -0.82 0.22 119.26 122.19 2pu9 h ALA 18 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pu9 h ALA 18 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2pu9 h ALA 18 CO -0.01 0.15 0.25 0.93 0.00 0.00 0.00 179.25 180.56 2pu9 h GLU 19 N 0.74 0.89 -0.33 0.00 5.08 -1.09 -1.20 114.58 118.68 2pu9 h GLU 19 Ca 0.20 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 2pu9 h GLU 19 Cb -0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 2pu9 h GLU 19 CO -0.04 0.76 -0.45 0.37 -1.00 0.00 0.00 179.01 178.65 2pu9 h GLN 20 N 0.83 0.85 -0.28 2.33 4.15 -0.82 -2.80 115.11 119.37 2pu9 h GLN 20 Ca 0.20 -0.48 -0.12 0.00 0.77 0.00 0.00 58.65 59.02 2pu9 h GLN 20 Cb 0.19 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2pu9 h GLN 20 CO -0.02 1.12 -0.31 -0.92 -1.93 0.00 0.00 178.83 176.77 2pu9 h TYR 21 N 0.68 0.69 -0.03 3.99 3.20 -0.42 -1.12 116.97 123.96 2pu9 h TYR 21 Ca 0.04 -0.17 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2pu9 h TYR 21 Cb 1.03 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 2pu9 h TYR 21 CO 0.06 0.84 0.02 0.00 -1.64 0.00 0.00 178.16 177.44 2pu9 h ALA 22 N 1.15 0.04 -0.83 1.82 0.00 -1.17 -0.58 119.26 119.69 2pu9 h ALA 22 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pu9 h ALA 22 Cb 0.79 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2pu9 h ALA 22 CO 0.06 -0.44 0.40 0.87 0.00 0.00 0.00 179.25 180.15 2pu9 h LYS 23 N -0.02 1.19 -0.73 0.00 1.57 -1.37 -0.75 116.57 116.47 2pu9 h LYS 23 Ca 0.01 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2pu9 h LYS 23 Cb 0.06 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2pu9 h LYS 23 CO -0.00 0.91 0.32 -0.09 -0.57 0.00 0.00 179.45 180.02 2pu9 h ARG 24 N 1.17 1.05 -0.65 3.15 2.43 -0.91 -3.01 114.38 117.62 2pu9 h ARG 24 Ca 0.28 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2pu9 h ARG 24 Cb 0.12 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2pu9 h ARG 24 CO -0.04 0.84 0.00 0.25 -1.51 0.00 0.00 179.97 179.51 2pu9 n THR 25 N -4.31 0.88 -3.80 0.20 -2.24 -0.25 -4.96 114.28 99.80 2pu9 n THR 25 Ca 0.07 -0.94 -0.28 0.00 -2.27 0.00 0.00 64.05 60.63 2pu9 n THR 25 Cb 0.16 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 2pu9 n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2pu9 n ASP 26 N 1.60 -5.02 -4.62 3.42 8.00 -0.44 -4.99 116.55 114.49 2pu9 n ASP 26 Ca 0.23 -0.71 -0.24 0.00 0.71 0.00 0.00 54.79 54.79 2pu9 n ASP 26 Cb 0.62 -4.27 -0.08 0.00 -0.02 0.00 0.00 41.12 37.36 2pu9 n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pu9 s THR 27 N -3.33 2.93 0.16 -3.53 -4.23 -0.42 -4.54 115.64 102.68 2pu9 s THR 27 Ca 0.59 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 2pu9 s THR 27 Cb -0.28 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 2pu9 s THR 27 CO 0.80 -0.29 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.13 2pu9 s TYR 28 N -2.44 1.58 0.58 3.99 1.51 0.16 -4.42 117.35 118.31 2pu9 s TYR 28 Ca 0.33 -0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 55.67 2pu9 s TYR 28 Cb -0.03 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 2pu9 s TYR 28 CO 0.19 0.25 1.05 -0.06 -1.11 0.00 0.00 175.55 175.87 2pu9 s PHE 29 N -2.53 3.02 0.42 2.71 2.99 0.02 -0.86 117.98 123.75 2pu9 s PHE 29 Ca 0.16 1.51 -0.26 0.00 0.00 0.00 0.00 56.93 58.34 2pu9 s PHE 29 Cb -0.03 -3.00 -0.10 0.00 0.00 0.00 0.00 43.02 39.90 2pu9 s PHE 29 CO 0.05 -1.05 1.34 0.00 -0.00 0.00 0.00 175.22 175.56 2pu9 h SER 31 N 2.25 0.00 -3.11 0.00 4.64 -1.05 -3.25 113.55 113.03 2pu9 h SER 31 Ca -0.49 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.09 2pu9 h SER 31 Cb 1.28 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.15 2pu9 h SER 31 CO 0.61 0.00 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.79 2pu9 s ASP 32 N -6.30 6.18 0.17 4.97 -1.08 -1.26 -4.93 116.67 114.42 2pu9 s ASP 32 Ca -0.05 -1.55 0.14 0.00 -0.52 0.00 0.00 52.55 50.57 2pu9 s ASP 32 Cb 0.19 -2.23 0.70 0.00 -1.46 0.00 0.00 42.92 40.12 2pu9 s ASP 32 CO 0.72 -0.87 1.43 0.18 0.52 0.00 0.00 175.17 177.15 2pu9 n LEU 33 N 5.54 0.33 0.10 -1.34 4.77 -1.23 -1.66 117.00 123.50 2pu9 n LEU 33 Ca -0.12 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2pu9 n LEU 33 Cb 0.42 -0.64 0.31 0.00 -2.33 0.00 0.00 43.42 41.18 2pu9 n LEU 33 CO 0.53 -0.65 0.79 0.28 -1.33 0.00 0.00 177.39 177.01 2pu9 h SER 34 N 0.00 0.26 -0.13 -1.43 0.02 -1.91 0.59 113.55 110.96 2pu9 h SER 34 Ca 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2pu9 h SER 34 Cb 0.10 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2pu9 h SER 34 CO 0.00 0.51 -0.02 0.58 -1.14 0.00 0.00 176.83 176.76 2pu9 h VAL 35 N 0.24 1.28 -0.35 2.27 2.07 -1.69 -2.39 116.25 117.68 2pu9 h VAL 35 Ca 0.04 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.66 2pu9 h VAL 35 Cb 0.56 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2pu9 h VAL 35 CO 0.04 0.27 0.14 0.74 0.02 0.00 0.00 177.57 178.78 2pu9 h THR 36 N -0.07 0.93 -0.39 2.57 2.02 -1.53 -2.90 112.91 113.54 2pu9 h THR 36 Ca 0.03 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2pu9 h THR 36 Cb 0.43 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2pu9 h THR 36 CO 0.01 0.06 0.24 0.00 0.37 0.00 0.00 175.52 176.20 2pu9 h ALA 37 N 1.21 0.49 -0.25 6.16 0.00 -0.80 -2.36 119.26 123.71 2pu9 h ALA 37 Ca 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2pu9 h ALA 37 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pu9 h ALA 37 CO -0.14 -0.08 -0.16 -0.39 0.00 0.00 0.00 179.25 178.48 2pu9 h VAL 38 N 0.49 1.23 -0.49 0.00 -1.51 -1.33 -2.10 116.25 112.55 2pu9 h VAL 38 Ca 0.15 -1.05 -0.13 0.00 -1.23 0.00 0.00 66.70 64.44 2pu9 h VAL 38 Cb -0.03 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 2pu9 h VAL 38 CO -0.05 0.34 -0.19 0.58 -1.23 0.00 0.00 177.57 177.02 2pu9 h VAL 39 N 0.40 1.27 -0.60 7.19 2.07 -1.31 -0.58 116.25 124.69 2pu9 h VAL 39 Ca 0.07 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 2pu9 h VAL 39 Cb 0.52 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2pu9 h VAL 39 CO 0.03 0.47 0.22 0.40 0.02 0.00 0.00 177.57 178.71 2pu9 h ILE 40 N 0.85 1.24 -0.64 4.57 2.04 -1.15 -0.13 117.51 124.30 2pu9 h ILE 40 Ca 0.12 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2pu9 h ILE 40 Cb 0.77 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2pu9 h ILE 40 CO 0.06 0.29 0.21 -0.08 0.00 0.00 0.00 178.15 178.64 2pu9 h GLU 41 N 0.85 0.98 -0.82 2.37 4.57 -1.22 -0.19 114.58 121.11 2pu9 h GLU 41 Ca 0.20 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2pu9 h GLU 41 Cb 0.24 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2pu9 h GLU 41 CO -0.01 0.86 0.46 0.78 -1.18 0.00 0.00 179.01 179.91 2pu9 h GLY 42 N 0.91 1.22 0.91 1.92 0.00 -0.69 0.60 103.07 107.95 2pu9 h GLY 42 Ca 0.21 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2pu9 h GLY 42 CO -0.01 0.53 0.06 1.41 0.00 0.00 0.00 176.54 178.53 2pu9 h LEU 43 N 1.14 0.55 -0.58 3.11 3.38 -0.70 -2.37 115.31 119.84 2pu9 h LEU 43 Ca 0.29 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2pu9 h LEU 43 Cb 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2pu9 h LEU 43 CO -0.05 0.66 0.37 0.00 0.09 0.00 0.00 178.44 179.51 2pu9 h ALA 44 N 0.91 0.74 -0.61 1.53 0.00 -0.53 -0.97 119.26 120.33 2pu9 h ALA 44 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2pu9 h ALA 44 Cb 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2pu9 h ALA 44 CO 0.01 0.13 0.38 0.00 0.00 0.00 0.00 179.25 179.76 2pu9 h ARG 45 N 0.74 0.73 -0.58 0.00 3.08 -0.74 -0.35 114.38 117.26 2pu9 h ARG 45 Ca 0.22 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.12 2pu9 h ARG 45 Cb -0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2pu9 h ARG 45 CO -0.07 0.48 -0.04 0.45 -1.07 0.00 0.00 179.97 179.72 2pu9 h HIS 46 N 0.75 1.16 -0.91 3.04 3.86 -1.04 -1.64 115.15 120.37 2pu9 h HIS 46 Ca 0.24 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2pu9 h HIS 46 Cb -0.00 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.13 2pu9 h HIS 46 CO -0.05 1.04 0.52 -0.22 0.86 0.00 0.00 177.93 180.09 2pu9 h LYS 47 N 0.94 1.26 -0.10 2.45 1.63 -0.74 0.30 116.57 122.30 2pu9 h LYS 47 Ca 0.16 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2pu9 h LYS 47 Cb 0.61 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2pu9 h LYS 47 CO 0.04 0.90 0.03 0.93 -3.45 0.00 0.00 179.45 177.90 2pu9 h GLU 48 N 1.27 0.16 0.00 1.90 5.08 -0.74 -0.62 114.58 121.64 2pu9 h GLU 48 Ca 0.32 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.49 2pu9 h GLU 48 Cb -0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2pu9 h GLU 48 CO -0.06 0.33 -1.13 0.93 -1.00 0.00 0.00 179.01 178.09 2pu9 h GLU 49 N -0.04 0.00 0.00 2.33 5.08 -1.17 -3.39 114.58 117.39 2pu9 h GLU 49 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2pu9 h GLU 49 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2pu9 h GLU 49 CO 0.00 0.38 -0.99 1.28 -1.00 0.00 0.00 179.01 178.69 2pu9 n LEU 50 N -3.01 0.13 0.00 1.33 4.77 0.10 -5.01 117.00 115.32 2pu9 n LEU 50 Ca -0.06 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2pu9 n LEU 50 Cb 0.81 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 2pu9 n LEU 50 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2pu9 n GLY 51 N 1.73 1.66 2.95 -0.72 0.00 -0.24 -5.01 105.19 105.57 2pu9 n GLY 51 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2pu9 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pu9 s SER 52 N -2.20 0.28 -1.39 1.61 0.01 -1.25 -4.92 113.70 105.84 2pu9 s SER 52 Ca 0.00 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 2pu9 s SER 52 Cb 0.00 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.30 2pu9 s SER 52 CO 0.00 -0.13 2.06 -0.81 0.41 0.00 0.00 173.24 174.77 2pu9 n PRO 53 N 2.33 2.91 -1.81 12.44 -0.04 -1.26 -3.07 135.00 146.49 2pu9 n PRO 53 Ca -0.18 -2.80 -0.40 0.00 -0.04 0.00 0.00 63.50 60.09 2pu9 n PRO 53 Cb 0.57 -3.35 0.01 0.00 -0.04 0.00 0.00 33.50 30.69 2pu9 n PRO 53 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pu9 s LEU 54 N 2.94 4.15 0.16 1.53 1.43 -1.26 -1.02 118.68 126.61 2pu9 s LEU 54 Ca 0.50 2.92 -0.34 0.00 -1.03 0.00 0.00 54.13 56.19 2pu9 s LEU 54 Cb 0.11 -3.90 -0.15 0.00 0.03 0.00 0.00 46.19 42.28 2pu9 s LEU 54 CO -0.03 -1.12 1.38 0.00 0.23 0.00 0.00 176.35 176.82 2pu9 n PRO 56 N 2.49 1.24 -0.71 0.00 -0.04 -1.26 -3.73 135.00 133.00 2pu9 n PRO 56 Ca 0.16 -0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 63.19 2pu9 n PRO 56 Cb 0.26 -1.49 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 2pu9 n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pu9 s ARG 58 N -3.07 0.76 -0.08 0.00 1.81 -1.24 -4.97 118.95 112.15 2pu9 s ARG 58 Ca 0.45 -0.81 -0.01 0.00 -1.72 0.00 0.00 55.73 53.64 2pu9 s ARG 58 Cb 0.39 -0.72 -0.03 0.00 -0.45 0.00 0.00 34.95 34.14 2pu9 s ARG 58 CO 0.05 0.16 -0.01 -1.58 -0.68 0.00 0.00 175.30 173.25 2pu9 s HIS 59 N -1.12 3.13 0.05 -0.53 5.65 -1.26 -4.98 115.29 116.22 2pu9 s HIS 59 Ca -0.03 0.16 0.09 0.00 0.25 0.00 0.00 55.06 55.54 2pu9 s HIS 59 Cb -0.09 -1.78 -0.03 0.00 -1.18 0.00 0.00 32.58 29.50 2pu9 s HIS 59 CO 0.01 0.44 -0.25 0.71 -0.65 0.00 0.00 174.74 175.01 2pu9 s TYR 60 N -0.86 2.17 -0.05 3.88 1.51 -1.26 -5.01 117.35 117.74 2pu9 s TYR 60 Ca 0.13 -0.40 0.13 0.00 -1.01 0.00 0.00 57.07 55.92 2pu9 s TYR 60 Cb -0.11 -1.29 -0.16 0.00 -0.11 0.00 0.00 41.96 40.29 2pu9 s TYR 60 CO 0.02 0.13 0.95 0.93 -1.11 0.00 0.00 175.55 176.48 2pu9 h GLU 61 N 4.74 0.00 -2.33 -0.62 4.39 -2.05 -3.41 114.58 115.29 2pu9 h GLU 61 Ca -0.46 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.72 2pu9 h GLU 61 Cb 1.15 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.44 2pu9 h GLU 61 CO 0.43 0.54 -0.83 0.34 -1.16 0.00 0.00 179.01 178.34 2pu9 s ASP 62 N -6.19 2.05 0.19 1.42 -1.08 -1.26 -5.02 116.67 106.79 2pu9 s ASP 62 Ca -0.02 -2.24 -0.12 0.00 -0.52 0.00 0.00 52.55 49.66 2pu9 s ASP 62 Cb 0.09 -0.11 0.21 0.00 -1.46 0.00 0.00 42.92 41.65 2pu9 s ASP 62 CO 0.81 -0.26 1.72 0.11 0.52 0.00 0.00 175.17 178.08 2pu9 h LYS 63 N 6.64 0.27 -0.73 4.34 1.57 -2.00 -1.09 116.57 125.58 2pu9 h LYS 63 Ca 0.11 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2pu9 h LYS 63 Cb 0.98 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 2pu9 h LYS 63 CO 0.26 0.18 0.45 0.93 -0.57 0.00 0.00 179.45 180.70 2pu9 h GLU 64 N 0.28 0.83 -0.74 3.15 3.07 -1.98 0.03 114.58 119.22 2pu9 h GLU 64 Ca 0.26 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.03 2pu9 h GLU 64 Cb 0.35 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 2pu9 h GLU 64 CO -0.32 0.55 0.30 0.00 -1.40 0.00 0.00 179.01 178.14 2pu9 h ALA 65 N 1.33 0.96 -0.66 3.43 0.00 -1.80 -2.25 119.26 120.27 2pu9 h ALA 65 Ca 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2pu9 h ALA 65 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2pu9 h ALA 65 CO -0.13 0.58 0.30 0.93 0.00 0.00 0.00 179.25 180.93 2pu9 h GLU 66 N 1.07 0.97 -0.77 0.00 4.39 -0.21 -0.30 114.58 119.72 2pu9 h GLU 66 Ca 0.25 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2pu9 h GLU 66 Cb 0.20 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2pu9 h GLU 66 CO -0.02 0.78 0.49 0.28 -1.16 0.00 0.00 179.01 179.38 2pu9 h VAL 67 N 0.92 1.21 -0.15 3.13 2.07 -0.70 0.12 116.25 122.85 2pu9 h VAL 67 Ca 0.23 -0.42 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 2pu9 h VAL 67 Cb 0.15 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2pu9 h VAL 67 CO -0.03 0.21 -0.67 0.11 0.02 0.00 0.00 177.57 177.21 2pu9 h LYS 68 N 1.05 0.59 -0.09 1.57 1.79 -0.88 -3.14 116.57 117.46 2pu9 h LYS 68 Ca 0.28 -0.44 -0.13 0.00 -2.18 0.00 0.00 60.65 58.18 2pu9 h LYS 68 Cb -0.08 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2pu9 h LYS 68 CO -0.06 1.06 -0.53 -0.97 -1.08 0.00 0.00 179.45 177.87 2pu9 h ASN 69 N 0.42 0.29 0.00 0.86 -0.73 -0.59 -3.47 115.58 112.35 2pu9 h ASN 69 Ca -0.02 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.00 2pu9 h ASN 69 Cb 1.26 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.76 2pu9 h ASN 69 CO 0.13 0.77 0.00 0.35 -0.37 0.00 0.00 177.43 178.30 2pu9 n THR 70 N -3.93 0.00 -0.24 -3.57 -2.24 0.37 -4.89 114.28 99.78 2pu9 n THR 70 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 2pu9 n THR 70 Cb 0.57 -0.19 0.17 0.00 -2.10 0.00 0.00 70.33 68.79 2pu9 n THR 70 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2pu9 h PHE 71 N 0.00 0.38 -0.52 4.78 3.57 -1.91 -1.49 116.94 121.74 2pu9 h PHE 71 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pu9 h PHE 71 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2pu9 h PHE 71 CO 0.00 -0.01 0.00 0.91 -2.23 0.00 0.00 178.31 176.98 2pu9 n TRP 72 N -5.08 0.82 -2.53 0.41 5.03 -1.26 -1.66 117.44 113.17 2pu9 n TRP 72 Ca 0.14 -0.38 -0.42 0.00 3.03 0.00 0.00 57.50 59.86 2pu9 n TRP 72 Cb 0.42 -0.05 -0.03 0.00 -1.03 0.00 0.00 31.31 30.62 2pu9 n TRP 72 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 2pu9 s ASN 73 N -0.94 7.10 0.13 -0.99 0.01 -0.56 -0.68 114.94 119.00 2pu9 s ASN 73 Ca 0.36 1.69 -0.31 0.00 -0.71 0.00 0.00 52.86 53.89 2pu9 s ASN 73 Cb 0.20 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.22 2pu9 s ASN 73 CO 0.23 -0.57 1.42 0.00 -1.51 0.00 0.00 177.10 176.67 2pu9 s PRO 75 N 1.03 4.39 1.07 0.00 0.04 -1.26 -4.82 135.00 135.45 2pu9 s PRO 75 Ca 0.65 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 2pu9 s PRO 75 Cb -0.38 -3.48 0.23 0.00 0.04 0.00 0.00 34.50 30.90 2pu9 s PRO 75 CO 0.31 -0.36 1.07 0.00 0.04 0.00 0.00 177.00 178.05 2pu9 h VAL 77 N -2.20 0.99 -0.79 0.00 2.07 -1.58 0.12 116.25 114.85 2pu9 h VAL 77 Ca -0.58 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 66.82 2pu9 h VAL 77 Cb 1.33 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2pu9 h VAL 77 CO 0.55 0.10 0.52 -0.65 0.02 0.00 0.00 177.57 178.11 2pu9 h PRO 78 N 0.52 0.86 0.02 1.57 0.11 -1.85 0.94 132.00 134.17 2pu9 h PRO 78 Ca 0.21 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 2pu9 h PRO 78 Cb 0.10 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.01 2pu9 h PRO 78 CO -0.14 0.57 -0.01 1.98 -0.21 0.00 0.00 178.00 180.19 2pu9 h MET 79 N 0.88 -0.02 -0.77 1.05 1.85 -1.13 0.91 114.93 117.71 2pu9 h MET 79 Ca 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.43 2pu9 h MET 79 Cb 0.20 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.19 2pu9 h MET 79 CO -0.11 0.64 0.49 0.00 -0.40 0.00 0.00 176.91 177.53 2pu9 h ARG 80 N -0.71 1.02 0.04 0.39 3.08 -0.53 0.12 114.38 117.78 2pu9 h ARG 80 Ca -0.00 -0.07 -0.30 0.00 0.07 0.00 0.00 59.98 59.68 2pu9 h ARG 80 Cb 0.67 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2pu9 h ARG 80 CO 0.00 0.68 -1.63 0.39 -1.07 0.00 0.00 179.97 178.35 2pu9 n GLU 81 N -4.41 0.63 -0.07 0.04 1.02 0.30 -4.64 120.64 113.51 2pu9 n GLU 81 Ca 0.08 0.45 0.05 0.00 -0.02 0.00 0.00 57.16 57.72 2pu9 n GLU 81 Cb 0.04 -1.71 0.08 0.00 -0.02 0.00 0.00 31.44 29.84 2pu9 n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pu9 n ARG 82 N -4.11 1.41 -2.96 3.49 1.74 0.25 -4.98 116.66 111.51 2pu9 n ARG 82 Ca -0.35 -1.48 -0.22 0.00 -0.77 0.00 0.00 57.85 55.04 2pu9 n ARG 82 Cb 0.82 -1.22 0.03 0.00 -1.02 0.00 0.00 32.46 31.06 2pu9 n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pu9 n LYS 83 N 0.53 -4.33 -3.72 5.56 5.02 0.41 -4.93 118.16 116.71 2pu9 n LYS 83 Ca 0.08 0.88 -0.38 0.00 -2.02 0.00 0.00 58.31 56.87 2pu9 n LYS 83 Cb 0.32 -5.71 -0.12 0.00 -0.02 0.00 0.00 35.03 29.50 2pu9 n LYS 83 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2pu9 s GLU 84 N -5.64 2.92 -0.42 1.97 2.02 -0.91 -4.75 118.70 113.88 2pu9 s GLU 84 Ca 0.27 -0.99 -0.02 0.00 0.02 0.00 0.00 54.97 54.25 2pu9 s GLU 84 Cb -0.12 -3.49 0.11 0.00 0.10 0.00 0.00 34.13 30.73 2pu9 s GLU 84 CO 0.33 -0.56 0.20 0.00 0.02 0.00 0.00 175.26 175.25 2pu9 h HIS 86 N 7.85 0.01 0.00 0.00 2.76 -1.96 -1.91 115.15 121.90 2pu9 h HIS 86 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2pu9 h HIS 86 Cb 1.03 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2pu9 h HIS 86 CO 0.55 0.01 0.00 0.00 -1.30 0.00 0.00 177.93 177.19 2pu9 n MET 88 N -1.86 -1.00 -0.09 0.00 0.00 -0.72 -4.93 117.12 108.52 2pu9 n MET 88 Ca 0.03 0.62 -0.19 0.00 0.00 0.00 0.00 57.70 58.15 2pu9 n MET 88 Cb 0.19 -4.81 -0.11 0.00 0.00 0.00 0.00 33.22 28.49 2pu9 n MET 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2pu9 h LEU 89 N 0.00 0.00 -7.78 4.03 5.85 -1.89 -3.38 115.31 112.13 2pu9 h LEU 89 Ca -0.30 -0.57 -0.72 0.00 0.84 0.00 0.00 57.88 57.13 2pu9 h LEU 89 Cb 1.21 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.92 2pu9 h LEU 89 CO 0.35 1.33 -0.35 -0.36 -0.34 0.00 0.00 178.44 179.07 2pu9 s PHE 90 N -2.31 3.49 -0.08 1.25 0.40 -1.26 -4.27 117.98 115.20 2pu9 s PHE 90 Ca -0.25 -2.28 -0.12 0.00 -0.60 0.00 0.00 56.93 53.68 2pu9 s PHE 90 Cb 0.04 -3.39 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 2pu9 s PHE 90 CO 0.58 -0.94 0.28 -0.51 0.70 0.00 0.00 175.22 175.34 2pu9 s LEU 91 N 0.68 4.39 0.45 -0.37 1.43 -0.04 -4.31 118.68 120.90 2pu9 s LEU 91 Ca 0.12 0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 53.67 2pu9 s LEU 91 Cb -0.21 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 2pu9 s LEU 91 CO -0.03 0.30 1.07 0.42 0.23 0.00 0.00 176.35 178.34 2pu9 s THR 92 N -0.68 3.59 -1.25 5.49 -4.23 -1.26 0.37 115.64 117.67 2pu9 s THR 92 Ca 0.19 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 2pu9 s THR 92 Cb -0.14 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2pu9 s THR 92 CO 0.08 -0.08 0.00 -2.65 -0.54 0.00 0.00 174.62 171.42 2pu9 n PRO 93 N -0.51 0.00 0.00 3.99 -0.02 -1.26 -0.73 135.00 136.46 2pu9 n PRO 93 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2pu9 n PRO 93 Cb 0.50 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 2pu9 n PRO 93 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2pu9 n ASP 94 N 0.12 0.25 -4.73 2.55 5.68 -1.26 -5.03 116.55 114.13 2pu9 n ASP 94 Ca 0.00 -0.60 -0.41 0.00 -0.50 0.00 0.00 54.79 53.28 2pu9 n ASP 94 Cb 0.00 0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 40.56 2pu9 n ASP 94 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2pu9 s ASN 95 N -0.63 7.35 0.38 -1.12 3.84 0.09 -4.94 114.94 119.91 2pu9 s ASN 95 Ca 0.00 1.95 0.09 0.00 0.21 0.00 0.00 52.86 55.11 2pu9 s ASN 95 Cb 0.00 -2.59 0.85 0.00 -0.55 0.00 0.00 41.25 38.96 2pu9 s ASN 95 CO 0.00 -0.18 1.95 0.44 -2.79 0.00 0.00 177.10 176.52 2pu9 h ASP 96 N 5.48 0.57 -0.06 -4.21 3.45 -1.96 -1.05 116.42 118.65 2pu9 h ASP 96 Ca -0.43 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.04 2pu9 h ASP 96 Cb 1.21 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 2pu9 h ASP 96 CO 0.73 0.34 0.00 0.49 -1.57 0.00 0.00 179.24 179.23 2pu9 n PHE 97 N -4.49 0.07 -2.42 4.55 3.72 -1.26 -4.90 117.46 112.72 2pu9 n PHE 97 Ca 0.12 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 2pu9 n PHE 97 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 2pu9 n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pu9 s ALA 98 N -1.93 3.39 0.27 4.37 0.00 -0.40 -0.51 121.76 126.95 2pu9 s ALA 98 Ca 0.37 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2pu9 s ALA 98 Cb 0.19 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2pu9 s ALA 98 CO 0.31 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2pu9 n GLY 99 N 3.15 1.22 0.25 0.00 0.00 -0.01 -4.58 105.19 105.21 2pu9 n GLY 99 Ca 0.09 -1.93 0.03 0.00 0.00 0.00 0.00 46.02 44.20 2pu9 n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pu9 n ASP 100 N 0.00 2.38 -4.75 1.61 3.85 -1.26 -4.72 116.55 113.66 2pu9 n ASP 100 Ca 0.00 -2.07 -0.29 0.00 -0.71 0.00 0.00 54.79 51.72 2pu9 n ASP 100 Cb 0.00 -0.11 -0.07 0.00 -1.35 0.00 0.00 41.12 39.59 2pu9 n ASP 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pu9 s ALA 101 N -1.12 3.48 -0.06 2.12 0.00 -1.26 -4.99 121.76 119.92 2pu9 s ALA 101 Ca 0.10 -1.12 0.11 0.00 0.00 0.00 0.00 51.96 51.05 2pu9 s ALA 101 Cb 0.06 -1.32 0.19 0.00 0.00 0.00 0.00 23.12 22.05 2pu9 s ALA 101 CO 0.06 0.65 1.09 1.04 0.00 0.00 0.00 175.76 178.60 2pu9 n GLN 102 N 0.20 0.56 -3.91 0.00 6.02 -1.26 -0.80 117.38 118.19 2pu9 n GLN 102 Ca -0.09 -1.86 -0.10 0.00 -0.01 0.00 0.00 57.00 54.94 2pu9 n GLN 102 Cb 0.53 -0.85 -0.11 0.00 1.02 0.00 0.00 30.24 30.83 2pu9 n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pu9 s ASP 103 N -1.95 0.09 -0.05 1.08 1.01 -1.26 -4.52 116.67 111.07 2pu9 s ASP 103 Ca 0.18 -0.26 -0.02 0.00 0.71 0.00 0.00 52.55 53.17 2pu9 s ASP 103 Cb 0.18 0.16 0.04 0.00 1.01 0.00 0.00 42.92 44.30 2pu9 s ASP 103 CO -0.02 -0.29 0.09 -0.51 0.21 0.00 0.00 175.17 174.65 2pu9 s ILE 104 N -1.18 -0.11 0.39 0.77 2.07 -1.26 -5.04 121.20 116.84 2pu9 s ILE 104 Ca -0.13 0.29 -0.28 0.00 -1.41 0.00 0.00 60.65 59.12 2pu9 s ILE 104 Cb -0.07 -0.18 -0.11 0.00 0.13 0.00 0.00 42.46 42.23 2pu9 s ILE 104 CO 0.00 0.12 1.48 -2.84 -1.91 0.00 0.00 174.94 171.79 2pu9 s PRO 105 N 1.60 4.03 0.44 3.50 0.02 -1.26 -4.88 135.00 138.45 2pu9 s PRO 105 Ca -0.03 2.56 0.11 0.00 0.02 0.00 0.00 61.00 63.65 2pu9 s PRO 105 Cb -0.12 -2.91 0.98 0.00 0.02 0.00 0.00 34.50 32.46 2pu9 s PRO 105 CO -0.04 -0.59 2.05 1.98 -0.33 0.00 0.00 177.00 180.06 2pu9 h MET 106 N 2.88 0.27 -0.88 5.54 4.05 -2.00 -0.75 114.93 124.03 2pu9 h MET 106 Ca -0.51 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 58.89 2pu9 h MET 106 Cb 1.24 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 2pu9 h MET 106 CO 0.64 0.24 0.59 1.49 0.23 0.00 0.00 176.91 180.09 2pu9 h GLU 107 N 0.27 1.15 -0.44 0.39 4.81 -1.99 -1.05 114.58 117.73 2pu9 h GLU 107 Ca 0.07 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2pu9 h GLU 107 Cb 0.08 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2pu9 h GLU 107 CO -0.01 0.76 -0.12 1.15 -0.73 0.00 0.00 179.01 180.06 2pu9 h THR 108 N 1.19 1.27 -0.49 0.32 2.02 -1.51 -0.56 112.91 115.15 2pu9 h THR 108 Ca 0.33 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.28 2pu9 h THR 108 Cb -0.12 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2pu9 h THR 108 CO -0.07 0.42 0.30 -0.07 0.37 0.00 0.00 175.52 176.47 2pu9 h LEU 109 N 0.69 0.50 -0.57 2.58 3.38 -1.05 -0.58 115.31 120.26 2pu9 h LEU 109 Ca 0.11 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2pu9 h LEU 109 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2pu9 h LEU 109 CO 0.05 0.36 0.24 -0.33 0.09 0.00 0.00 178.44 178.85 2pu9 h GLU 110 N 0.61 0.84 -0.52 1.13 5.08 -0.97 -0.92 114.58 119.82 2pu9 h GLU 110 Ca 0.19 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2pu9 h GLU 110 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2pu9 h GLU 110 CO -0.08 0.71 0.14 0.93 -1.00 0.00 0.00 179.01 179.72 2pu9 h GLU 111 N 0.78 0.82 -0.33 2.33 5.08 -0.76 -0.86 114.58 121.64 2pu9 h GLU 111 Ca 0.19 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2pu9 h GLU 111 Cb 0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2pu9 h GLU 111 CO -0.02 0.78 0.04 0.28 -1.00 0.00 0.00 179.01 179.08 2pu9 h VAL 112 N 0.72 1.24 -0.61 3.13 2.07 -0.95 -1.20 116.25 120.66 2pu9 h VAL 112 Ca 0.17 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2pu9 h VAL 112 Cb 0.31 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2pu9 h VAL 112 CO -0.00 0.29 0.38 0.11 0.02 0.00 0.00 177.57 178.37 2pu9 h LYS 113 N 0.38 0.82 -0.63 1.57 1.57 -1.06 -2.35 116.57 116.86 2pu9 h LYS 113 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2pu9 h LYS 113 Cb 0.38 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2pu9 h LYS 113 CO 0.01 0.57 0.39 0.00 -0.57 0.00 0.00 179.45 179.85 2pu9 h ALA 114 N 1.20 1.49 0.00 3.86 0.00 -0.92 -1.70 119.26 123.19 2pu9 h ALA 114 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pu9 h ALA 114 Cb -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2pu9 h ALA 114 CO -0.04 0.45 0.00 0.66 0.00 0.00 0.00 179.25 180.31 2pu9 h SER 115 N 0.87 0.00 1.00 0.00 4.64 -0.66 -1.54 113.55 117.86 2pu9 h SER 115 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2pu9 h SER 115 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2pu9 h SER 115 CO -0.04 0.00 -0.16 0.23 -0.87 0.00 0.00 176.83 175.98 2pu9 n MET 116 N -2.47 0.09 0.00 4.77 2.00 -0.64 -5.11 117.12 115.76 2pu9 n MET 116 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 57.70 57.89 2pu9 n MET 116 Cb 0.16 -1.59 0.34 0.00 0.00 0.00 0.00 33.22 32.13 2pu9 n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97