#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu3 h PHE 24 N 0.00 1.17 -0.72 7.33 3.57 -1.92 -1.47 116.94 124.91 2pu3 h PHE 24 Ca 0.00 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.32 2pu3 h PHE 24 Cb 0.00 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.39 2pu3 h PHE 24 CO 0.00 1.05 0.44 1.03 -2.23 0.00 0.00 178.31 178.60 2pu3 h SER 25 N 0.96 0.72 -0.55 0.41 0.87 -1.99 -1.44 113.55 112.52 2pu3 h SER 25 Ca 0.16 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2pu3 h SER 25 Cb 0.61 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2pu3 h SER 25 CO 0.04 0.49 0.18 0.11 -0.53 0.00 0.00 176.83 177.12 2pu3 h LYS 26 N 0.86 0.86 -0.50 2.24 1.57 -1.94 -2.33 116.57 117.32 2pu3 h LYS 26 Ca 0.29 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2pu3 h LYS 26 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2pu3 h LYS 26 CO -0.12 0.78 0.30 0.00 -0.57 0.00 0.00 179.45 179.84 2pu3 h ALA 27 N 1.04 0.64 -0.70 3.86 0.00 -0.92 -1.41 119.26 121.77 2pu3 h ALA 27 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pu3 h ALA 27 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2pu3 h ALA 27 CO -0.01 0.13 0.31 0.87 0.00 0.00 0.00 179.25 180.55 2pu3 h LYS 28 N 0.67 1.01 -0.67 0.00 1.57 -1.15 0.12 116.57 118.11 2pu3 h LYS 28 Ca 0.18 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2pu3 h LYS 28 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 2pu3 h LYS 28 CO -0.03 0.79 0.25 0.87 -0.57 0.00 0.00 179.45 180.76 2pu3 h LYS 29 N 1.00 1.01 -0.45 3.15 1.57 -1.06 -0.72 116.57 121.07 2pu3 h LYS 29 Ca 0.24 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2pu3 h LYS 29 Cb 0.14 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2pu3 h LYS 29 CO -0.03 0.83 -0.18 0.93 -0.57 0.00 0.00 179.45 180.44 2pu3 h GLU 30 N 0.98 0.88 -0.42 3.15 4.39 -0.44 -2.70 114.58 120.43 2pu3 h GLU 30 Ca 0.23 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2pu3 h GLU 30 Cb 0.22 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2pu3 h GLU 30 CO -0.02 0.98 0.23 0.00 -1.16 0.00 0.00 179.01 179.05 2pu3 h ALA 31 N 1.02 0.54 -0.53 3.43 0.00 -0.43 -2.17 119.26 121.12 2pu3 h ALA 31 Ca 0.11 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2pu3 h ALA 31 Cb 0.71 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2pu3 h ALA 31 CO 0.05 0.07 0.24 0.28 0.00 0.00 0.00 179.25 179.89 2pu3 h VAL 32 N 0.55 0.90 -0.87 0.00 2.07 -1.07 -1.93 116.25 115.90 2pu3 h VAL 32 Ca 0.15 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2pu3 h VAL 32 Cb 0.06 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.17 2pu3 h VAL 32 CO -0.02 0.08 0.55 0.11 0.02 0.00 0.00 177.57 178.31 2pu3 h LYS 33 N 0.46 0.99 -0.32 1.57 1.57 -1.12 -0.30 116.57 119.41 2pu3 h LYS 33 Ca 0.24 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 2pu3 h LYS 33 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2pu3 h LYS 33 CO -0.20 0.65 -0.12 0.82 -0.57 0.00 0.00 179.45 180.03 2pu3 h ILE 34 N 1.02 1.24 -0.02 1.86 2.04 -0.88 -3.04 117.51 119.72 2pu3 h ILE 34 Ca 0.37 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2pu3 h ILE 34 Cb 0.12 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2pu3 h ILE 34 CO -0.16 0.35 0.00 -1.22 0.00 0.00 0.00 178.15 177.12 2pu3 n TYR 35 N -4.19 0.00 -0.36 1.37 4.02 -0.69 -4.38 117.16 112.94 2pu3 n TYR 35 Ca 0.01 -0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 2pu3 n TYR 35 Cb 0.33 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.94 2pu3 n TYR 35 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2pu3 h LEU 36 N 3.01 0.85 -2.68 7.72 3.38 -0.96 -1.11 115.31 125.53 2pu3 h LEU 36 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pu3 h LEU 36 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2pu3 h LEU 36 CO 0.00 0.37 0.00 -0.90 0.09 0.00 0.00 178.44 178.00 2pu3 n ASP 37 N -4.70 3.60 -3.36 -0.43 5.75 -1.26 -4.44 116.55 111.71 2pu3 n ASP 37 Ca 0.21 -1.98 -0.26 0.00 -0.01 0.00 0.00 54.79 52.75 2pu3 n ASP 37 Cb 0.47 -0.38 -0.08 0.00 -1.03 0.00 0.00 41.12 40.11 2pu3 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pu3 n TYR 38 N 1.35 2.27 -2.25 2.11 4.19 -0.42 -5.03 117.16 119.38 2pu3 n TYR 38 Ca 0.20 -3.96 -0.42 0.00 3.31 0.00 0.00 57.90 57.03 2pu3 n TYR 38 Cb 0.57 -0.48 0.00 0.00 0.49 0.00 0.00 39.34 39.92 2pu3 n TYR 38 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2pu3 n PRO 39 N 1.08 3.47 -3.87 2.98 -0.04 -1.21 -4.81 135.00 132.60 2pu3 n PRO 39 Ca 0.27 -3.37 -0.17 0.00 -0.04 0.00 0.00 63.50 60.19 2pu3 n PRO 39 Cb 0.45 -3.00 -0.16 0.00 -0.04 0.00 0.00 33.50 30.75 2pu3 n PRO 39 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2pu3 s THR 40 N 0.96 0.14 0.46 0.52 2.01 -1.26 -0.55 115.64 117.92 2pu3 s THR 40 Ca 0.41 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.32 2pu3 s THR 40 Cb 0.10 -0.26 -0.08 0.00 0.01 0.00 0.00 72.50 72.28 2pu3 s THR 40 CO -0.01 0.15 1.11 -0.94 -0.69 0.00 0.00 174.62 174.24 2pu3 s SER 41 N 1.20 6.29 0.03 3.53 1.04 0.44 -4.86 113.70 121.37 2pu3 s SER 41 Ca -0.07 2.16 -0.23 0.00 0.48 0.00 0.00 55.95 58.29 2pu3 s SER 41 Cb -0.13 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 63.24 2pu3 s SER 41 CO -0.02 -0.83 1.43 0.15 0.98 0.00 0.00 173.24 174.95 2pu3 h PHE 42 N 1.97 0.16 0.13 5.02 3.57 -1.27 -1.64 116.94 124.88 2pu3 h PHE 42 Ca -0.49 -0.03 -0.27 0.00 3.53 0.00 0.00 57.97 60.71 2pu3 h PHE 42 Cb 1.24 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2pu3 h PHE 42 CO 0.55 0.45 -1.35 1.88 -2.23 0.00 0.00 178.31 177.61 2pu3 h TYR 43 N -0.18 0.51 -0.01 0.41 -1.99 -1.94 -3.41 116.97 110.37 2pu3 h TYR 43 Ca 0.02 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.38 2pu3 h TYR 43 Cb 0.39 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.10 2pu3 h TYR 43 CO 0.05 1.53 -0.63 0.00 -0.00 0.00 0.00 178.16 179.10 2pu3 n GLY 45 N 1.33 -0.08 3.83 0.00 0.00 -0.62 -4.89 105.19 104.77 2pu3 n GLY 45 Ca 0.05 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2pu3 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu3 s ASP 47 N -1.59 5.56 -0.10 0.00 1.01 -1.25 -0.42 116.67 119.88 2pu3 s ASP 47 Ca 0.36 2.75 0.03 0.00 0.71 0.00 0.00 52.55 56.40 2pu3 s ASP 47 Cb -0.16 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 2pu3 s ASP 47 CO 0.19 -1.37 -0.20 -0.63 0.21 0.00 0.00 175.17 173.37 2pu3 s ILE 48 N -1.30 2.42 -0.33 0.77 1.01 0.29 0.18 121.20 124.24 2pu3 s ILE 48 Ca 0.67 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 2pu3 s ILE 48 Cb -0.40 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 2pu3 s ILE 48 CO 0.49 0.55 0.41 -0.89 0.00 0.00 0.00 174.94 175.49 2pu3 s THR 49 N 0.26 5.13 -0.77 2.92 2.01 0.13 -4.78 115.64 120.54 2pu3 s THR 49 Ca -0.14 0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 2pu3 s THR 49 Cb -0.17 -3.84 0.08 0.00 0.01 0.00 0.00 72.50 68.58 2pu3 s THR 49 CO 0.07 -0.07 1.09 0.26 -0.69 0.00 0.00 174.62 175.28 2pu3 s TRP 50 N 2.13 2.70 0.02 4.92 0.52 -1.26 -0.94 118.94 127.04 2pu3 s TRP 50 Ca 0.14 -0.70 -0.30 0.00 0.02 0.00 0.00 56.10 55.26 2pu3 s TRP 50 Cb -0.16 -4.38 -0.05 0.00 -1.15 0.00 0.00 33.47 27.73 2pu3 s TRP 50 CO 0.12 -1.70 1.24 0.15 0.02 0.00 0.00 176.95 176.78 2pu3 s LYS 51 N 4.08 4.38 -1.27 4.98 1.02 0.25 -3.09 119.74 130.10 2pu3 s LYS 51 Ca 0.29 1.79 0.00 0.00 0.02 0.00 0.00 55.97 58.07 2pu3 s LYS 51 Cb -0.11 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 2pu3 s LYS 51 CO 0.04 -0.37 0.00 0.09 -0.92 0.00 0.00 175.35 174.19 2pu3 n ASN 52 N 4.52 -3.90 -3.25 2.83 5.03 -1.26 -1.46 115.26 117.77 2pu3 n ASN 52 Ca 0.10 0.24 -0.22 0.00 0.87 0.00 0.00 54.58 55.57 2pu3 n ASN 52 Cb 0.46 -3.43 0.00 0.00 -1.02 0.00 0.00 39.78 35.79 2pu3 n ASN 52 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pu3 n LYS 52 N -2.43 -3.53 0.00 3.52 5.02 -1.18 -4.75 118.16 114.82 2pu3 n LYS 52 Ca -0.15 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2pu3 n LYS 52 Cb 0.54 -5.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.29 2pu3 n LYS 52 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pu3 n LYS 53 N -3.71 1.01 -4.69 1.97 5.02 -0.53 -4.87 118.16 112.36 2pu3 n LYS 53 Ca -0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 2pu3 n LYS 53 Cb 0.56 -0.38 -0.17 0.00 -0.02 0.00 0.00 35.03 35.02 2pu3 n LYS 53 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pu3 s LYS 54 N -0.78 2.15 -0.16 1.97 2.20 -0.62 -4.97 119.74 119.54 2pu3 s LYS 54 Ca 0.00 -0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 54.93 2pu3 s LYS 54 Cb 0.00 -1.75 -0.05 0.00 -1.51 0.00 0.00 37.83 34.53 2pu3 s LYS 54 CO 0.00 0.03 0.24 0.20 -0.36 0.00 0.00 175.35 175.47 2pu3 s GLY 55 N 0.69 2.18 -0.19 5.54 0.00 -1.26 0.88 107.32 115.16 2pu3 s GLY 55 Ca -0.13 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 2pu3 s GLY 55 CO 0.03 0.27 -0.16 -0.42 0.00 0.00 0.00 173.10 172.82 2pu3 s ILE 56 N 0.22 2.43 0.35 0.90 1.01 -0.12 -1.20 121.20 124.79 2pu3 s ILE 56 Ca 0.15 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.72 2pu3 s ILE 56 Cb -0.13 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 2pu3 s ILE 56 CO 0.03 0.51 1.06 -2.16 0.00 0.00 0.00 174.94 174.38 2pu3 s PRO 57 N 1.29 4.37 -0.53 2.79 0.04 -1.26 -0.69 135.00 141.00 2pu3 s PRO 57 Ca 0.04 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 2pu3 s PRO 57 Cb -0.14 -2.80 0.11 0.00 0.04 0.00 0.00 34.50 31.71 2pu3 s PRO 57 CO -0.09 0.02 0.52 -1.21 0.04 0.00 0.00 177.00 176.28 2pu3 s GLU 58 N -2.06 3.01 0.16 4.56 0.41 0.13 -4.91 118.70 119.99 2pu3 s GLU 58 Ca 0.52 -1.48 0.26 0.00 -0.41 0.00 0.00 54.97 53.86 2pu3 s GLU 58 Cb -0.26 -4.24 0.68 0.00 -1.78 0.00 0.00 34.13 28.54 2pu3 s GLU 58 CO 0.32 -1.29 1.63 1.28 -0.49 0.00 0.00 175.26 176.72 2pu3 n LEU 59 N 5.52 0.72 0.06 1.80 4.77 -1.26 -3.84 117.00 124.77 2pu3 n LEU 59 Ca -0.12 0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 56.19 2pu3 n LEU 59 Cb 0.42 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2pu3 n LEU 59 CO 0.53 -0.12 0.47 -0.08 -1.33 0.00 0.00 177.39 176.86 2pu3 h GLU 60 N 0.00 -0.21 -0.07 3.23 4.81 -1.92 -2.92 114.58 117.50 2pu3 h GLU 60 Ca 0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2pu3 h GLU 60 Cb 0.72 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2pu3 h GLU 60 CO 0.00 0.21 -0.30 0.66 -0.73 0.00 0.00 179.01 178.85 2pu3 h SER 61 N -0.78 0.12 0.72 1.04 4.64 -1.99 -1.11 113.55 116.20 2pu3 h SER 61 Ca -0.02 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2pu3 h SER 61 Cb 0.52 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2pu3 h SER 61 CO 0.04 0.42 -0.05 0.00 -0.87 0.00 0.00 176.83 176.37 2pu3 n GLY 63 N 1.39 0.98 3.76 0.00 0.00 -0.42 -4.33 105.19 106.57 2pu3 n GLY 63 Ca 0.11 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 2pu3 n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pu3 n TYR 64 N -2.74 2.88 -5.19 1.61 9.36 -1.13 -1.15 117.16 120.80 2pu3 n TYR 64 Ca -0.08 0.43 -0.32 0.00 3.32 0.00 0.00 57.90 61.25 2pu3 n TYR 64 Cb 0.27 -2.53 -0.17 0.00 -0.63 0.00 0.00 39.34 36.28 2pu3 n TYR 64 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 2pu3 s GLN 65 N -1.78 3.00 0.25 2.98 0.74 -0.71 -4.86 119.66 119.27 2pu3 s GLN 65 Ca 0.55 -0.86 -0.30 0.00 0.05 0.00 0.00 55.36 54.80 2pu3 s GLN 65 Cb -0.49 -2.27 -0.11 0.00 1.10 0.00 0.00 33.01 31.25 2pu3 s GLN 65 CO 0.61 0.17 1.52 0.08 -0.55 0.00 0.00 175.29 177.12 2pu3 s VAL 66 N 0.36 2.44 -0.12 1.34 1.01 -1.26 -4.21 120.40 119.96 2pu3 s VAL 66 Ca -0.19 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2pu3 s VAL 66 Cb -0.18 -3.23 -0.16 0.00 0.00 0.00 0.00 36.38 32.82 2pu3 s VAL 66 CO 0.09 0.05 0.48 -0.09 0.00 0.00 0.00 175.10 175.63 2pu3 h ARG 67 N 5.28 -0.01 0.00 2.72 2.43 -1.97 -3.47 114.38 119.36 2pu3 h ARG 67 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2pu3 h ARG 67 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2pu3 h ARG 67 CO 0.81 0.58 0.00 1.17 -1.51 0.00 0.00 179.97 181.02 2pu3 n LYS 68 N -4.69 0.00 -3.83 0.20 4.81 -1.26 -5.07 118.16 108.32 2pu3 n LYS 68 Ca -0.06 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.04 2pu3 n LYS 68 Cb 0.29 -0.22 -0.12 0.00 0.02 0.00 0.00 35.03 34.99 2pu3 n LYS 68 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2pu3 s GLN 69 N -1.00 2.24 0.25 1.64 -0.21 -1.26 -4.95 119.66 116.38 2pu3 s GLN 69 Ca 0.00 -2.48 -0.05 0.00 0.02 0.00 0.00 55.36 52.84 2pu3 s GLN 69 Cb 0.00 -3.53 0.31 0.00 1.00 0.00 0.00 33.01 30.78 2pu3 s GLN 69 CO 0.00 -1.13 1.90 0.93 -2.12 0.00 0.00 175.29 174.87 2pu3 h GLU 70 N 6.92 1.21 -0.45 2.91 5.08 -1.97 -1.54 114.58 126.74 2pu3 h GLU 70 Ca -0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2pu3 h GLU 70 Cb 0.94 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2pu3 h GLU 70 CO 0.69 0.80 0.23 -0.22 -1.00 0.00 0.00 179.01 179.51 2pu3 h LYS 71 N 1.24 0.63 -0.40 2.33 3.64 -1.97 -2.08 116.57 119.96 2pu3 h LYS 71 Ca 0.38 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2pu3 h LYS 71 Cb -0.02 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2pu3 h LYS 71 CO -0.12 0.52 -0.21 0.00 -2.27 0.00 0.00 179.45 177.37 2pu3 h ARG 72 N 0.58 0.79 0.00 1.90 2.47 -1.87 -2.94 114.38 115.32 2pu3 h ARG 72 Ca 0.16 -0.32 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 2pu3 h ARG 72 Cb 0.08 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2pu3 h ARG 72 CO -0.02 0.93 -0.11 0.00 0.56 0.00 0.00 179.97 181.33 2pu3 h ALA 73 N 1.07 1.18 -0.43 0.04 0.00 -1.00 -2.28 119.26 117.84 2pu3 h ALA 73 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pu3 h ALA 73 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2pu3 h ALA 73 CO 0.06 0.14 0.00 0.43 0.00 0.00 0.00 179.25 179.88 2pu3 n SER 74 N -3.49 3.64 -3.87 0.00 7.64 -0.81 -4.60 113.62 112.12 2pu3 n SER 74 Ca -0.01 -2.39 -0.11 0.00 1.01 0.00 0.00 58.87 57.37 2pu3 n SER 74 Cb 0.26 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 2pu3 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pu3 s ARG 75 N -1.87 0.53 -0.05 1.43 1.70 -1.16 -4.56 118.95 114.97 2pu3 s ARG 75 Ca 0.36 -0.48 -0.23 0.00 -0.47 0.00 0.00 55.73 54.91 2pu3 s ARG 75 Cb 0.24 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2pu3 s ARG 75 CO 0.15 -0.13 0.67 0.42 -1.08 0.00 0.00 175.30 175.33 2pu3 s ILE 76 N -1.73 5.00 0.06 4.99 -1.09 -0.35 -0.75 121.20 127.33 2pu3 s ILE 76 Ca -0.12 1.39 0.09 0.00 -2.23 0.00 0.00 60.65 59.78 2pu3 s ILE 76 Cb -0.06 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2pu3 s ILE 76 CO 0.00 0.30 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.16 2pu3 s GLU 77 N 0.53 1.81 -0.10 2.79 2.02 0.13 -4.67 118.70 121.22 2pu3 s GLU 77 Ca 0.36 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 2pu3 s GLU 77 Cb -0.18 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 2pu3 s GLU 77 CO 0.18 0.51 1.21 -1.58 0.02 0.00 0.00 175.26 175.60 2pu3 s TRP 78 N -0.88 3.08 -0.24 1.61 0.52 -1.26 -1.43 118.94 120.34 2pu3 s TRP 78 Ca 0.13 1.16 -0.10 0.00 0.02 0.00 0.00 56.10 57.31 2pu3 s TRP 78 Cb -0.10 -3.44 -0.05 0.00 -1.15 0.00 0.00 33.47 28.73 2pu3 s TRP 78 CO 0.04 -1.39 0.15 -2.00 0.02 0.00 0.00 176.95 173.76 2pu3 s GLU 79 N 2.70 4.03 -0.46 4.98 2.56 0.38 -4.95 118.70 127.94 2pu3 s GLU 79 Ca 0.55 -0.29 -0.27 0.00 0.00 0.00 0.00 54.97 54.96 2pu3 s GLU 79 Cb -0.23 -3.51 0.03 0.00 2.00 0.00 0.00 34.13 32.42 2pu3 s GLU 79 CO 0.19 0.05 1.00 -1.01 -0.56 0.00 0.00 175.26 174.92 2pu3 s HIS 80 N 1.09 2.90 0.07 5.30 3.76 -1.26 -1.66 115.29 125.49 2pu3 s HIS 80 Ca 0.07 0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 55.27 2pu3 s HIS 80 Cb -0.14 -4.09 -0.16 0.00 1.11 0.00 0.00 32.58 29.30 2pu3 s HIS 80 CO 0.05 -1.13 1.65 0.28 -0.85 0.00 0.00 174.74 174.73 2pu3 h VAL 81 N 6.10 0.98 -3.52 -0.90 2.07 -1.69 -3.21 116.25 116.08 2pu3 h VAL 81 Ca -0.24 -0.18 -0.60 0.00 0.82 0.00 0.00 66.70 66.51 2pu3 h VAL 81 Cb 1.07 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.84 2pu3 h VAL 81 CO 1.06 0.04 0.55 -0.69 0.02 0.00 0.00 177.57 178.55 2pu3 s VAL 82 N -5.86 4.60 0.60 2.57 1.01 -1.26 -5.03 120.40 117.03 2pu3 s VAL 82 Ca -0.14 1.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.72 2pu3 s VAL 82 Cb 0.05 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2pu3 s VAL 82 CO 0.65 -0.56 1.28 -2.84 0.00 0.00 0.00 175.10 173.64 2pu3 s PRO 83 N 3.43 2.87 0.34 2.72 0.02 -1.22 -4.85 135.00 138.32 2pu3 s PRO 83 Ca 0.37 2.03 0.07 0.00 0.02 0.00 0.00 61.00 63.48 2pu3 s PRO 83 Cb -0.12 -2.00 0.76 0.00 0.02 0.00 0.00 34.50 33.16 2pu3 s PRO 83 CO 0.19 -1.34 1.86 0.00 -0.33 0.00 0.00 177.00 177.38 2pu3 h ALA 84 N 0.94 1.76 -0.76 -1.55 0.00 -1.96 0.85 119.26 118.54 2pu3 h ALA 84 Ca -0.51 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2pu3 h ALA 84 Cb 1.31 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2pu3 h ALA 84 CO 0.55 -0.00 0.50 2.35 0.00 0.00 0.00 179.25 182.65 2pu3 h TRP 85 N 0.76 0.94 -0.25 0.00 7.01 -1.95 0.31 115.95 122.77 2pu3 h TRP 85 Ca 0.46 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.40 2pu3 h TRP 85 Cb 0.67 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2pu3 h TRP 85 CO -0.00 0.58 -0.16 0.37 -2.79 0.00 0.00 178.44 176.44 2pu3 h GLN 86 N 1.01 0.56 -0.00 2.65 5.75 -1.18 0.77 115.11 124.66 2pu3 h GLN 86 Ca 0.28 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2pu3 h GLN 86 Cb -0.08 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.47 2pu3 h GLN 86 CO -0.07 0.84 -0.22 1.97 -2.65 0.00 0.00 178.83 178.70 2pu3 n PHE 87 N -4.43 0.00 -0.01 3.99 1.16 -0.98 -4.48 117.46 112.71 2pu3 n PHE 87 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.53 2pu3 n PHE 87 Cb 0.38 -0.28 -0.02 0.00 -1.61 0.00 0.00 39.48 37.95 2pu3 n PHE 87 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2pu3 n GLY 88 N 1.41 -0.12 0.31 4.97 0.00 0.11 -4.85 105.19 107.03 2pu3 n GLY 88 Ca 0.09 -0.04 0.20 0.00 0.00 0.00 0.00 46.02 46.28 2pu3 n GLY 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2pu3 h HIS 89 N 0.00 0.00 -0.02 1.61 2.07 -1.00 -1.39 115.15 116.41 2pu3 h HIS 89 Ca -0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2pu3 h HIS 89 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 2pu3 h HIS 89 CO 0.00 0.00 -0.11 1.04 -3.07 0.00 0.00 177.93 175.80 2pu3 n GLN 90 N -3.11 1.84 -1.91 5.12 6.02 -1.26 -4.70 117.38 119.37 2pu3 n GLN 90 Ca -0.01 -1.40 -0.31 0.00 -0.01 0.00 0.00 57.00 55.26 2pu3 n GLN 90 Cb 0.18 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 29.98 2pu3 n GLN 90 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2pu3 s ARG 91 N -2.13 3.42 0.21 -1.09 0.52 -0.52 -4.95 118.95 114.41 2pu3 s ARG 91 Ca 0.28 0.93 -0.09 0.00 -0.52 0.00 0.00 55.73 56.33 2pu3 s ARG 91 Cb 0.20 -2.06 0.15 0.00 0.52 0.00 0.00 34.95 33.76 2pu3 s ARG 91 CO 0.38 -0.71 1.80 1.96 0.02 0.00 0.00 175.30 178.75 2pu3 h GLN 92 N -0.07 1.11 -0.54 3.54 4.20 -1.93 -2.39 115.11 119.03 2pu3 h GLN 92 Ca -0.45 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.10 2pu3 h GLN 92 Cb 1.20 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 2pu3 h GLN 92 CO 0.60 0.86 0.34 0.00 -0.67 0.00 0.00 178.83 179.96 2pu3 h TRP 94 N 0.73 0.24 -0.98 0.00 2.91 -1.66 -2.20 115.95 115.00 2pu3 h TRP 94 Ca 0.20 -0.10 0.10 0.00 1.13 0.00 0.00 58.89 60.21 2pu3 h TRP 94 Cb -0.06 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 28.48 2pu3 h TRP 94 CO 0.00 0.80 0.63 0.37 -1.03 0.00 0.00 178.44 179.20 2pu3 h GLN 95 N 0.13 1.00 -1.54 2.65 5.75 -0.99 0.89 115.11 123.00 2pu3 h GLN 95 Ca -0.01 -0.06 -0.51 0.00 -0.15 0.00 0.00 58.65 57.91 2pu3 h GLN 95 Cb 1.20 -0.23 -0.20 0.00 1.07 0.00 0.00 27.48 29.32 2pu3 h GLN 95 CO 0.10 0.66 0.61 1.63 -2.65 0.00 0.00 178.83 179.19 2pu3 n LYS 96 N -4.55 2.29 0.00 1.69 5.02 -0.83 -4.55 118.16 117.23 2pu3 n LYS 96 Ca 0.17 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 2pu3 n LYS 96 Cb 0.28 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2pu3 n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pu3 n GLY 97 N 0.01 1.65 7.00 0.72 0.00 -1.19 -4.73 105.19 108.66 2pu3 n GLY 97 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2pu3 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pu3 n GLY 98 N -0.28 0.02 0.28 -0.02 0.00 0.30 -3.07 105.19 102.42 2pu3 n GLY 98 Ca 0.00 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 45.11 2pu3 n GLY 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pu3 h ARG 99 N 0.00 0.39 -0.80 1.61 9.65 -1.90 -1.53 114.38 121.80 2pu3 h ARG 99 Ca 0.00 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2pu3 h ARG 99 Cb 0.00 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 2pu3 h ARG 99 CO 0.00 0.26 0.45 0.87 2.80 0.00 0.00 179.97 184.34 2pu3 h LYS 100 N 0.40 1.11 -0.37 0.20 1.57 -1.97 -1.16 116.57 116.35 2pu3 h LYS 100 Ca 0.43 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 2pu3 h LYS 100 Cb 0.68 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2pu3 h LYS 100 CO -0.44 0.82 -0.24 -0.97 -0.57 0.00 0.00 179.45 178.05 2pu3 h ASN 101 N 1.11 0.86 -0.53 0.86 -0.73 -1.27 -3.08 115.58 112.80 2pu3 h ASN 101 Ca 0.28 -0.43 -0.03 0.00 1.87 0.00 0.00 56.30 58.00 2pu3 h ASN 101 Cb 0.02 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 2pu3 h ASN 101 CO -0.05 1.10 0.23 0.00 -0.37 0.00 0.00 177.43 178.34 2pu3 h THR 103 N 0.71 1.10 0.20 0.00 2.02 -1.29 -1.88 112.91 113.78 2pu3 h THR 103 Ca 0.18 -0.28 -0.27 0.00 0.77 0.00 0.00 66.41 66.80 2pu3 h THR 103 Cb 0.17 0.20 0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2pu3 h THR 103 CO -0.02 0.15 -1.21 0.03 0.37 0.00 0.00 175.52 174.84 2pu3 h ARG 104 N 0.83 0.43 -0.00 6.66 3.08 -1.37 -3.43 114.38 120.59 2pu3 h ARG 104 Ca 0.27 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pu3 h ARG 104 Cb 0.06 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2pu3 h ARG 104 CO -0.08 1.35 -0.02 0.09 -1.07 0.00 0.00 179.97 180.25 2pu3 n ASN 105 N -3.89 0.54 -3.98 7.04 5.03 -0.03 -4.95 115.26 115.01 2pu3 n ASN 105 Ca -0.16 -0.77 -0.31 0.00 0.87 0.00 0.00 54.58 54.21 2pu3 n ASN 105 Cb 0.98 0.50 -0.15 0.00 -1.02 0.00 0.00 39.78 40.10 2pu3 n ASN 105 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2pu3 s ASP 106 N -0.56 4.46 0.22 6.41 -1.08 -0.72 -5.00 116.67 120.40 2pu3 s ASP 106 Ca 0.01 -1.76 -0.08 0.00 -0.52 0.00 0.00 52.55 50.20 2pu3 s ASP 106 Cb 0.01 -1.44 0.25 0.00 -1.46 0.00 0.00 42.92 40.27 2pu3 s ASP 106 CO 0.02 -0.32 1.86 0.11 0.52 0.00 0.00 175.17 177.36 2pu3 h LYS 107 N 7.76 0.93 -0.46 4.34 1.57 -1.93 0.19 116.57 128.98 2pu3 h LYS 107 Ca -0.11 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2pu3 h LYS 107 Cb 1.03 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2pu3 h LYS 107 CO 0.48 0.62 0.15 0.37 -0.57 0.00 0.00 179.45 180.50 2pu3 h GLN 108 N 0.96 0.71 -0.53 3.15 5.75 -1.94 -1.63 115.11 121.57 2pu3 h GLN 108 Ca 0.32 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.65 2pu3 h GLN 108 Cb 0.05 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2pu3 h GLN 108 CO -0.13 0.67 0.23 0.35 -2.65 0.00 0.00 178.83 177.30 2pu3 h PHE 109 N 0.61 0.80 -0.90 3.99 3.57 -1.76 -1.98 116.94 121.27 2pu3 h PHE 109 Ca 0.15 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.69 2pu3 h PHE 109 Cb 0.25 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 2pu3 h PHE 109 CO 0.01 0.64 0.54 0.87 -2.23 0.00 0.00 178.31 178.15 2pu3 h LYS 110 N 0.72 0.88 -0.32 1.11 1.57 -0.71 0.16 116.57 119.98 2pu3 h LYS 110 Ca 0.18 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2pu3 h LYS 110 Cb 0.17 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2pu3 h LYS 110 CO -0.02 0.58 0.18 0.77 -0.57 0.00 0.00 179.45 180.39 2pu3 h SER 111 N 0.91 0.40 -0.27 0.86 0.02 -0.99 -1.46 113.55 113.03 2pu3 h SER 111 Ca 0.43 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2pu3 h SER 111 Cb 0.36 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2pu3 h SER 111 CO -0.24 0.37 0.12 0.24 -1.14 0.00 0.00 176.83 176.18 2pu3 h MET 112 N 0.40 0.40 -0.19 3.45 2.86 -0.61 -2.14 114.93 119.10 2pu3 h MET 112 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2pu3 h MET 112 Cb 0.06 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2pu3 h MET 112 CO -0.02 0.40 -0.01 1.49 1.06 0.00 0.00 176.91 179.83 2pu3 h GLU 113 N 0.30 0.27 -0.01 1.72 4.81 -0.60 -2.75 114.58 118.31 2pu3 h GLU 113 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2pu3 h GLU 113 Cb 0.14 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2pu3 h GLU 113 CO -0.01 0.31 -0.25 0.00 -0.73 0.00 0.00 179.01 178.33 2pu3 n ALA 114 N -2.50 3.07 -2.01 2.92 0.00 -0.56 -4.93 120.51 116.50 2pu3 n ALA 114 Ca -0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 2pu3 n ALA 114 Cb 0.19 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2pu3 n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pu3 s ASP 115 N -2.35 6.31 0.51 0.00 -1.08 -0.82 -4.83 116.67 114.40 2pu3 s ASP 115 Ca 0.25 1.80 0.25 0.00 -0.52 0.00 0.00 52.55 54.34 2pu3 s ASP 115 Cb 0.19 -2.53 1.35 0.00 -1.46 0.00 0.00 42.92 40.48 2pu3 s ASP 115 CO 0.48 -1.29 2.05 -0.07 0.52 0.00 0.00 175.17 176.86 2pu3 h LEU 116 N 11.84 0.00 -2.34 -1.34 3.38 -1.90 -2.11 115.31 122.84 2pu3 h LEU 116 Ca -0.36 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2pu3 h LEU 116 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2pu3 h LEU 116 CO 0.99 0.14 0.08 0.45 0.09 0.00 0.00 178.44 180.18 2pu3 h HIS 117 N 0.00 0.00 -0.60 1.13 3.86 -1.97 -2.46 115.15 115.12 2pu3 h HIS 117 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2pu3 h HIS 117 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2pu3 h HIS 117 CO 0.00 0.00 0.00 -1.71 0.86 0.00 0.00 177.93 177.08 2pu3 n ASN 118 N -3.90 3.72 -4.26 2.45 5.15 -0.79 -4.90 115.26 112.72 2pu3 n ASN 118 Ca -0.01 -2.07 -0.33 0.00 -0.60 0.00 0.00 54.58 51.57 2pu3 n ASN 118 Cb 0.18 -0.42 -0.15 0.00 -0.53 0.00 0.00 39.78 38.85 2pu3 n ASN 118 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2pu3 s LEU 119 N -1.12 2.44 0.04 1.20 1.43 -0.93 -1.61 118.68 120.13 2pu3 s LEU 119 Ca 0.41 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2pu3 s LEU 119 Cb 0.22 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2pu3 s LEU 119 CO 0.27 0.10 -0.05 0.68 0.23 0.00 0.00 176.35 177.58 2pu3 s VAL 120 N 0.72 0.31 -0.05 -1.59 -7.23 -0.66 -4.96 120.40 106.95 2pu3 s VAL 120 Ca -0.07 -1.21 -0.27 0.00 -1.81 0.00 0.00 61.98 58.62 2pu3 s VAL 120 Cb -0.16 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 2pu3 s VAL 120 CO 0.01 -0.58 0.85 -2.16 -0.31 0.00 0.00 175.10 172.91 2pu3 s PRO 121 N -2.13 4.48 0.07 4.82 0.04 -1.26 -0.47 135.00 140.55 2pu3 s PRO 121 Ca -0.08 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.16 2pu3 s PRO 121 Cb -0.06 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 2pu3 s PRO 121 CO -0.02 -0.03 -0.13 0.00 0.04 0.00 0.00 177.00 176.85 2pu3 s ALA 122 N 1.04 1.11 0.18 8.56 0.00 -0.52 -0.71 121.76 131.42 2pu3 s ALA 122 Ca 0.45 -0.99 -0.33 0.00 0.00 0.00 0.00 51.96 51.09 2pu3 s ALA 122 Cb -0.19 -0.08 -0.14 0.00 0.00 0.00 0.00 23.12 22.72 2pu3 s ALA 122 CO 0.22 0.14 1.54 -0.89 0.00 0.00 0.00 175.76 176.77 2pu3 n ILE 123 N 1.26 0.22 -0.35 0.00 5.41 -1.26 -0.69 119.36 123.94 2pu3 n ILE 123 Ca -0.21 -0.05 0.03 0.00 1.00 0.00 0.00 62.75 63.52 2pu3 n ILE 123 Cb 0.54 -1.52 0.20 0.00 -0.71 0.00 0.00 39.64 38.15 2pu3 n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2pu3 h GLY 124 N 5.52 1.48 1.19 7.39 0.00 -0.40 -1.33 103.07 116.92 2pu3 h GLY 124 Ca -0.45 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 2pu3 h GLY 124 CO 0.86 0.32 0.27 -2.09 0.00 0.00 0.00 176.54 175.90 2pu3 h GLU 125 N 1.13 1.03 -0.23 4.80 4.81 -1.72 0.65 114.58 125.05 2pu3 h GLU 125 Ca 0.42 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2pu3 h GLU 125 Cb 0.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2pu3 h GLU 125 CO -0.17 0.85 -0.01 0.28 -0.73 0.00 0.00 179.01 179.23 2pu3 h VAL 126 N 1.01 1.26 -0.42 0.32 2.07 -1.66 0.37 116.25 119.20 2pu3 h VAL 126 Ca 0.23 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.89 2pu3 h VAL 126 Cb 0.21 1.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2pu3 h VAL 126 CO -0.02 0.29 0.06 -1.13 0.02 0.00 0.00 177.57 176.79 2pu3 h ASN 127 N 0.17 -0.04 -0.20 0.57 -1.24 -0.87 -0.32 115.58 113.66 2pu3 h ASN 127 Ca 0.06 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2pu3 h ASN 127 Cb 0.43 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 2pu3 h ASN 127 CO 0.01 0.01 0.05 1.23 -1.29 0.00 0.00 177.43 177.45 2pu3 h GLY 128 N 0.18 0.34 1.29 1.57 0.00 -0.75 -2.12 103.07 103.58 2pu3 h GLY 128 Ca 0.20 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 2pu3 h GLY 128 CO -0.29 0.20 -0.16 -0.55 0.00 0.00 0.00 176.54 175.74 2pu3 h ASP 129 N 0.13 0.83 0.32 0.19 3.32 -0.75 -2.69 116.42 117.77 2pu3 h ASP 129 Ca 0.06 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 2pu3 h ASP 129 Cb 0.27 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2pu3 h ASP 129 CO 0.00 0.99 -0.37 -0.09 -1.72 0.00 0.00 179.24 178.05 2pu3 h ARG 130 N 0.74 0.08 0.00 3.56 1.12 -1.03 -3.47 114.38 115.38 2pu3 h ARG 130 Ca 0.11 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 2pu3 h ARG 130 Cb 0.68 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.63 2pu3 h ARG 130 CO 0.05 0.44 0.00 0.45 -3.11 0.00 0.00 179.97 177.80 2pu3 n SER 131 N -4.08 0.00 -1.56 -3.80 2.88 -0.80 -0.88 113.62 105.37 2pu3 n SER 131 Ca -0.02 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.60 2pu3 n SER 131 Cb 0.42 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.24 2pu3 n SER 131 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2pu3 n ASN 132 N 3.29 5.12 -4.77 -3.46 3.02 -1.26 -4.95 115.26 112.25 2pu3 n ASN 132 Ca 0.00 -2.94 -0.40 0.00 -0.03 0.00 0.00 54.58 51.21 2pu3 n ASN 132 Cb 0.00 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.51 2pu3 n ASN 132 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2pu3 s PHE 133 N -2.75 3.04 0.77 3.10 0.08 -0.06 -4.96 117.98 117.20 2pu3 s PHE 133 Ca 0.51 1.43 -0.11 0.00 0.12 0.00 0.00 56.93 58.88 2pu3 s PHE 133 Cb 0.39 -3.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.23 2pu3 s PHE 133 CO 0.14 -1.83 1.09 -0.98 -0.10 0.00 0.00 175.22 173.54 2pu3 s ARG 134 N -1.84 2.30 0.11 0.44 1.70 -1.23 -4.72 118.95 115.71 2pu3 s ARG 134 Ca 0.50 1.17 -0.07 0.00 -0.47 0.00 0.00 55.73 56.86 2pu3 s ARG 134 Cb -0.39 -1.90 -0.06 0.00 -0.57 0.00 0.00 34.95 32.03 2pu3 s ARG 134 CO 0.52 -1.61 0.38 -0.06 -1.08 0.00 0.00 175.30 173.44 2pu3 s PHE 135 N -2.89 3.52 0.00 5.89 0.40 -1.26 -1.20 117.98 122.44 2pu3 s PHE 135 Ca 0.61 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 57.58 2pu3 s PHE 135 Cb -0.17 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.30 2pu3 s PHE 135 CO 0.56 0.48 0.00 0.45 0.70 0.00 0.00 175.22 177.40 2pu3 n SER 136 N 0.46 0.00 -3.73 1.36 2.88 -0.14 -4.90 113.62 109.54 2pu3 n SER 136 Ca -0.05 -0.03 -0.12 0.00 -1.33 0.00 0.00 58.87 57.34 2pu3 n SER 136 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 2pu3 n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pu3 s GLN 137 N 0.91 0.85 0.06 -1.46 -2.07 -1.26 -4.07 119.66 112.62 2pu3 s GLN 137 Ca 0.00 -0.50 -0.12 0.00 -1.82 0.00 0.00 55.36 52.93 2pu3 s GLN 137 Cb 0.00 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.30 2pu3 s GLN 137 CO 0.00 -0.28 0.26 1.67 -1.32 0.00 0.00 175.29 175.62 2pu3 s TRP 138 N -2.63 -0.01 -0.01 9.60 -2.14 -1.26 -5.09 118.94 117.41 2pu3 s TRP 138 Ca -0.04 -0.25 -0.30 0.00 2.66 0.00 0.00 56.10 58.17 2pu3 s TRP 138 Cb -0.01 0.04 -0.03 0.00 -3.10 0.00 0.00 33.47 30.37 2pu3 s TRP 138 CO -0.04 -0.51 1.06 1.21 -2.66 0.00 0.00 176.95 176.01 2pu3 s ASN 139 N -2.35 7.24 0.00 -2.66 3.84 -1.26 -4.92 114.94 114.83 2pu3 s ASN 139 Ca -0.02 1.74 0.00 0.00 0.21 0.00 0.00 52.86 54.80 2pu3 s ASN 139 Cb 0.01 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 2pu3 s ASN 139 CO -0.06 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.47 2pu3 n GLY 140 N 3.07 0.96 0.94 1.21 0.00 -1.26 -4.81 105.19 105.29 2pu3 n GLY 140 Ca 0.08 -2.09 0.09 0.00 0.00 0.00 0.00 46.02 44.10 2pu3 n GLY 140 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pu3 n SER 141 N 0.00 2.74 -4.68 1.61 3.41 -1.26 -4.91 113.62 110.53 2pu3 n SER 141 Ca 0.00 -1.97 -0.48 0.00 -0.26 0.00 0.00 58.87 56.16 2pu3 n SER 141 Cb 0.00 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 2pu3 n SER 141 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2pu3 n LYS 142 N 1.00 2.18 -0.88 4.33 4.81 -1.26 -1.09 118.16 127.25 2pu3 n LYS 142 Ca 0.18 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 2pu3 n LYS 142 Cb 0.44 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.85 2pu3 n LYS 142 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pu3 n GLY 143 N 4.42 0.79 3.33 3.14 0.00 -1.26 -4.65 105.19 110.96 2pu3 n GLY 143 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2pu3 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pu3 n ALA 144 N 0.64 4.15 0.61 4.61 0.00 -0.25 -1.46 120.51 128.81 2pu3 n ALA 144 Ca 0.00 -3.91 0.11 0.00 0.00 0.00 0.00 53.44 49.64 2pu3 n ALA 144 Cb 0.00 -3.52 0.25 0.00 0.00 0.00 0.00 19.45 16.19 2pu3 n ALA 144 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2pu3 n PHE 145 N 7.40 0.40 -1.42 0.00 0.99 -1.26 -4.55 117.46 119.02 2pu3 n PHE 145 Ca 0.48 -0.20 0.06 0.00 -0.00 0.00 0.00 57.45 57.79 2pu3 n PHE 145 Cb 0.44 0.00 0.19 0.00 -1.00 0.00 0.00 39.48 39.11 2pu3 n PHE 145 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2pu3 n TYR 146 N 1.15 0.19 0.00 1.38 4.02 -1.26 -4.16 117.16 118.47 2pu3 n TYR 146 Ca 0.18 -1.36 0.00 0.00 -0.01 0.00 0.00 57.90 56.71 2pu3 n TYR 146 Cb 0.53 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 2pu3 n TYR 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pu3 n GLY 147 N -1.18 1.57 0.21 2.72 0.00 -1.26 -1.74 105.19 105.50 2pu3 n GLY 147 Ca 0.20 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2pu3 n GLY 147 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2pu3 h GLN 148 N 0.00 0.07 -6.23 1.61 1.08 -1.40 -3.42 115.11 106.82 2pu3 h GLN 148 Ca 0.00 -0.02 -0.56 0.00 -1.45 0.00 0.00 58.65 56.62 2pu3 h GLN 148 Cb 0.00 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2pu3 h GLN 148 CO 0.00 0.36 1.03 0.00 -0.95 0.00 0.00 178.83 179.27 2pu3 n ALA 150 N 7.28 2.69 -1.77 0.00 0.00 -1.26 -4.34 120.51 123.10 2pu3 n ALA 150 Ca 0.16 -0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 2pu3 n ALA 150 Cb 0.44 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2pu3 n ALA 150 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pu3 s PHE 151 N -0.44 3.27 -0.00 0.00 5.36 -1.26 -4.19 117.98 120.72 2pu3 s PHE 151 Ca 0.04 1.61 0.03 0.00 -0.96 0.00 0.00 56.93 57.66 2pu3 s PHE 151 Cb 0.03 -3.32 -0.01 0.00 -0.34 0.00 0.00 43.02 39.39 2pu3 s PHE 151 CO 0.01 -0.96 -0.11 0.15 -1.46 0.00 0.00 175.22 172.85 2pu3 s LYS 152 N -2.05 0.87 -0.11 10.12 1.02 -0.12 -3.98 119.74 125.49 2pu3 s LYS 152 Ca 0.53 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.09 2pu3 s LYS 152 Cb -0.30 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.19 2pu3 s LYS 152 CO 0.38 0.23 -0.14 0.08 -0.92 0.00 0.00 175.35 174.97 2pu3 s VAL 153 N -0.36 1.45 -0.60 3.17 1.01 -0.53 -0.38 120.40 124.15 2pu3 s VAL 153 Ca 0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2pu3 s VAL 153 Cb -0.05 -1.33 0.15 0.00 0.00 0.00 0.00 36.38 35.15 2pu3 s VAL 153 CO -0.00 0.43 0.50 -0.62 0.00 0.00 0.00 175.10 175.41 2pu3 s ASP 154 N 1.07 6.01 0.08 3.32 -1.08 0.09 -4.30 116.67 121.86 2pu3 s ASP 154 Ca -0.05 -2.23 -0.21 0.00 -0.52 0.00 0.00 52.55 49.55 2pu3 s ASP 154 Cb -0.15 -2.08 -0.10 0.00 -1.46 0.00 0.00 42.92 39.13 2pu3 s ASP 154 CO -0.03 -0.65 1.58 -0.26 0.52 0.00 0.00 175.17 176.33 2pu3 h PHE 155 N 8.17 0.28 -0.96 -5.34 -1.00 -1.96 -0.20 116.94 115.93 2pu3 h PHE 155 Ca -0.12 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.62 2pu3 h PHE 155 Cb 1.05 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 2pu3 h PHE 155 CO 0.77 0.39 0.58 -0.22 -1.61 0.00 0.00 178.31 178.22 2pu3 h LYS 156 N 0.09 1.29 0.00 1.51 3.64 -1.96 -2.35 116.57 118.80 2pu3 h LYS 156 Ca 0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pu3 h LYS 156 Cb 0.25 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2pu3 h LYS 156 CO -0.00 0.90 0.00 0.41 -2.27 0.00 0.00 179.45 178.49 2pu3 n GLY 157 N -1.26 -1.44 3.75 5.01 0.00 -1.10 -4.93 105.19 105.22 2pu3 n GLY 157 Ca 0.11 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2pu3 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu3 n ARG 158 N -1.49 -5.04 -3.85 1.61 1.74 -0.11 -4.99 116.66 104.53 2pu3 n ARG 158 Ca 0.07 0.61 -0.12 0.00 -0.77 0.00 0.00 57.85 57.65 2pu3 n ARG 158 Cb 0.32 -5.23 -0.11 0.00 -1.02 0.00 0.00 32.46 26.41 2pu3 n ARG 158 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2pu3 s VAL 159 N -3.60 0.04 0.08 1.55 0.11 -1.05 -3.55 120.40 113.98 2pu3 s VAL 159 Ca 0.14 -0.37 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2pu3 s VAL 159 Cb -0.07 -0.32 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2pu3 s VAL 159 CO 0.82 -0.20 -0.20 0.00 -3.33 0.00 0.00 175.10 172.18 2pu3 s ALA 160 N -0.68 1.75 -0.26 1.54 0.00 -0.34 -0.74 121.76 123.04 2pu3 s ALA 160 Ca -0.08 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 2pu3 s ALA 160 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2pu3 s ALA 160 CO 0.01 0.36 0.03 -2.00 0.00 0.00 0.00 175.76 174.17 2pu3 s GLU 161 N -1.62 3.35 0.30 0.00 2.12 0.49 -0.97 118.70 122.37 2pu3 s GLU 161 Ca 0.06 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.63 2pu3 s GLU 161 Cb -0.09 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 30.99 2pu3 s GLU 161 CO 0.03 -0.28 0.63 -1.25 -0.54 0.00 0.00 175.26 173.85 2pu3 s PRO 162 N 1.52 3.80 0.61 4.30 0.04 -1.26 -0.95 135.00 143.07 2pu3 s PRO 162 Ca 0.05 0.33 -0.19 0.00 0.04 0.00 0.00 61.00 61.23 2pu3 s PRO 162 Cb -0.16 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 2pu3 s PRO 162 CO 0.01 0.19 1.16 -2.30 0.04 0.00 0.00 177.00 176.09 2pu3 n PRO 163 N -0.61 1.10 -0.28 0.56 -0.02 -1.26 -4.82 135.00 129.66 2pu3 n PRO 163 Ca 0.01 0.42 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 2pu3 n PRO 163 Cb 0.53 -2.38 0.24 0.00 -0.02 0.00 0.00 33.50 31.88 2pu3 n PRO 163 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pu3 h ALA 164 N 0.64 1.16 0.00 3.55 0.00 -1.94 -0.78 119.26 121.88 2pu3 h ALA 164 Ca -0.50 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pu3 h ALA 164 Cb 1.35 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2pu3 h ALA 164 CO 0.53 -0.38 -0.00 -0.56 0.00 0.00 0.00 179.25 178.83 2pu3 h GLN 165 N 0.27 0.00 0.00 0.00 -0.00 -1.94 -1.89 115.11 111.56 2pu3 h GLN 165 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 2pu3 h GLN 165 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 2pu3 h GLN 165 CO -0.57 0.00 -0.95 -1.13 -0.00 0.00 0.00 178.83 176.18 2pu3 n SER 166 N -3.29 0.76 -0.23 0.06 3.41 -0.31 -4.62 113.62 109.40 2pu3 n SER 166 Ca -0.03 -0.63 -0.08 0.00 -0.26 0.00 0.00 58.87 57.87 2pu3 n SER 166 Cb 0.08 0.86 0.03 0.00 -0.26 0.00 0.00 64.21 64.92 2pu3 n SER 166 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2pu3 h ARG 167 N 0.00 1.06 -0.44 4.33 3.08 -1.28 -0.97 114.38 120.16 2pu3 h ARG 167 Ca 0.00 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2pu3 h ARG 167 Cb 0.57 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2pu3 h ARG 167 CO 0.00 0.97 0.17 0.78 -1.07 0.00 0.00 179.97 180.82 2pu3 h GLY 168 N 0.98 0.70 1.01 0.04 0.00 -1.76 -0.33 103.07 103.71 2pu3 h GLY 168 Ca 0.20 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2pu3 h GLY 168 CO 0.01 0.36 0.01 0.00 0.00 0.00 0.00 176.54 176.93 2pu3 h ALA 169 N 1.02 0.67 -0.26 3.60 0.00 -1.81 0.25 119.26 122.73 2pu3 h ALA 169 Ca 0.14 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2pu3 h ALA 169 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2pu3 h ALA 169 CO -0.01 0.47 0.06 0.82 0.00 0.00 0.00 179.25 180.59 2pu3 h ILE 170 N 0.74 0.90 -0.25 0.00 2.04 -1.05 -0.70 117.51 119.18 2pu3 h ILE 170 Ca 0.14 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2pu3 h ILE 170 Cb 0.50 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2pu3 h ILE 170 CO 0.02 0.03 0.16 0.00 0.00 0.00 0.00 178.15 178.36 2pu3 h ALA 171 N 1.18 0.32 0.00 1.87 0.00 -0.67 -0.11 119.26 121.85 2pu3 h ALA 171 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2pu3 h ALA 171 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2pu3 h ALA 171 CO -0.14 -0.19 -0.21 0.00 0.00 0.00 0.00 179.25 178.71 2pu3 h ARG 172 N 0.32 0.00 -0.06 0.00 3.08 -0.78 0.10 114.38 117.05 2pu3 h ARG 172 Ca 0.09 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2pu3 h ARG 172 Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.05 2pu3 h ARG 172 CO -0.02 0.21 -0.42 1.15 -1.07 0.00 0.00 179.97 179.82 2pu3 h THR 173 N 0.00 1.42 -0.46 2.04 2.02 -0.45 -1.44 112.91 116.05 2pu3 h THR 173 Ca -0.00 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 2pu3 h THR 173 Cb 0.55 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 2pu3 h THR 173 CO 0.03 0.53 0.26 1.88 0.37 0.00 0.00 175.52 178.59 2pu3 h TYR 174 N -0.10 0.63 -0.65 3.16 -1.99 -0.66 -0.62 116.97 116.74 2pu3 h TYR 174 Ca -0.04 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.64 2pu3 h TYR 174 Cb 1.09 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.59 2pu3 h TYR 174 CO 0.13 0.46 0.26 -0.07 -0.00 0.00 0.00 178.16 178.94 2pu3 h LEU 175 N 0.61 0.90 -0.05 3.88 3.38 -1.04 -1.10 115.31 121.88 2pu3 h LEU 175 Ca 0.16 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2pu3 h LEU 175 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2pu3 h LEU 175 CO -0.03 0.82 -0.09 0.22 0.09 0.00 0.00 178.44 179.45 2pu3 h TYR 176 N 0.91 -0.23 -0.63 1.13 3.20 -1.05 -1.60 116.97 118.71 2pu3 h TYR 176 Ca 0.22 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 2pu3 h TYR 176 Cb 0.21 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2pu3 h TYR 176 CO 0.01 -0.14 0.08 0.52 -1.64 0.00 0.00 178.16 176.99 2pu3 h MET 177 N -0.14 1.05 -0.00 1.82 2.86 -0.84 0.89 114.93 120.58 2pu3 h MET 177 Ca 0.05 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 2pu3 h MET 177 Cb 0.21 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2pu3 h MET 177 CO -0.13 0.99 -0.37 -0.97 1.06 0.00 0.00 176.91 177.49 2pu3 h ASN 178 N 0.96 0.00 0.45 1.22 -1.24 -1.11 -0.99 115.58 114.88 2pu3 h ASN 178 Ca 0.19 -0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.89 2pu3 h ASN 178 Cb 0.46 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 2pu3 h ASN 178 CO 0.02 0.37 -1.50 -1.13 -1.29 0.00 0.00 177.43 173.89 2pu3 h ASN 179 N 0.00 0.43 0.33 1.15 -1.24 -0.84 -3.37 115.58 112.05 2pu3 h ASN 179 Ca -0.00 -0.57 -0.24 0.00 0.71 0.00 0.00 56.30 56.20 2pu3 h ASN 179 Cb 0.65 -0.14 0.01 0.00 0.73 0.00 0.00 38.32 39.57 2pu3 h ASN 179 CO 0.05 1.47 -0.99 -0.08 -1.29 0.00 0.00 177.43 176.58 2pu3 h GLU 180 N 0.08 0.43 -5.15 6.67 4.57 -0.68 -3.47 114.58 117.02 2pu3 h GLU 180 Ca -0.23 -0.49 -0.60 0.00 -1.18 0.00 0.00 59.36 56.86 2pu3 h GLU 180 Cb 2.02 0.14 -0.13 0.00 -0.16 0.00 0.00 28.75 30.63 2pu3 h GLU 180 CO 0.17 1.15 -0.53 0.71 -1.18 0.00 0.00 179.01 179.33 2pu3 s TYR 181 N -3.20 1.88 -0.28 0.92 1.51 -0.39 -5.09 117.35 112.70 2pu3 s TYR 181 Ca -0.06 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 2pu3 s TYR 181 Cb 0.08 -1.37 0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2pu3 s TYR 181 CO 0.88 -0.03 -0.05 0.15 -1.11 0.00 0.00 175.55 175.38 2pu3 s LYS 182 N -3.79 2.34 0.23 -0.62 -0.14 -1.26 -4.63 119.74 111.87 2pu3 s LYS 182 Ca 0.19 -1.31 -0.17 0.00 -1.36 0.00 0.00 55.97 53.32 2pu3 s LYS 182 Cb 0.03 -3.04 0.02 0.00 -1.68 0.00 0.00 37.83 33.16 2pu3 s LYS 182 CO 0.11 -0.60 0.56 -0.59 -0.76 0.00 0.00 175.35 174.07 2pu3 s PHE 183 N 1.18 -0.01 -0.03 3.18 -0.12 -1.26 -5.05 117.98 115.87 2pu3 s PHE 183 Ca -0.07 -0.36 -0.30 0.00 -0.05 0.00 0.00 56.93 56.15 2pu3 s PHE 183 Cb -0.20 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.58 2pu3 s PHE 183 CO -0.03 -1.02 1.03 1.21 -0.05 0.00 0.00 175.22 176.36 2pu3 s ASN 184 N -2.92 7.28 -0.06 1.98 2.47 -1.26 -5.02 114.94 117.41 2pu3 s ASN 184 Ca 0.13 1.67 -0.01 0.00 0.42 0.00 0.00 52.86 55.07 2pu3 s ASN 184 Cb -0.02 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.24 2pu3 s ASN 184 CO 0.03 -0.36 -0.00 -0.22 -3.72 0.00 0.00 177.10 172.82 2pu3 s LEU 185 N 1.40 0.80 0.69 3.21 2.96 -1.26 -4.91 118.68 121.57 2pu3 s LEU 185 Ca 0.52 -0.07 -0.17 0.00 -0.22 0.00 0.00 54.13 54.19 2pu3 s LEU 185 Cb -0.21 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.10 2pu3 s LEU 185 CO 0.25 -0.16 1.20 -1.54 -1.32 0.00 0.00 176.35 174.79 2pu3 n SER 186 N 4.79 1.52 -0.24 3.68 3.41 -1.26 -4.75 113.62 120.76 2pu3 n SER 186 Ca -0.13 0.75 0.02 0.00 -0.26 0.00 0.00 58.87 59.25 2pu3 n SER 186 Cb 0.50 -1.51 0.15 0.00 -0.26 0.00 0.00 64.21 63.09 2pu3 n SER 186 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2pu3 h LYS 187 N 0.08 0.50 -0.72 4.33 3.64 -2.00 0.15 116.57 122.55 2pu3 h LYS 187 Ca -0.49 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2pu3 h LYS 187 Cb 1.33 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2pu3 h LYS 187 CO 0.50 0.33 0.47 0.00 -2.27 0.00 0.00 179.45 178.49 2pu3 h ALA 188 N 1.46 0.91 -0.33 5.00 0.00 -1.99 -0.43 119.26 123.88 2pu3 h ALA 188 Ca 0.36 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2pu3 h ALA 188 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pu3 h ALA 188 CO -0.32 0.34 -0.08 1.96 0.00 0.00 0.00 179.25 181.15 2pu3 h GLN 189 N 0.97 0.64 -0.33 0.00 1.08 -1.75 -0.05 115.11 115.68 2pu3 h GLN 189 Ca 0.26 -0.25 0.05 0.00 -1.45 0.00 0.00 58.65 57.27 2pu3 h GLN 189 Cb -0.11 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.24 2pu3 h GLN 189 CO -0.06 0.82 0.05 0.00 -0.95 0.00 0.00 178.83 178.69 2pu3 h ARG 190 N 0.43 0.16 -0.26 1.46 3.08 -0.63 -0.31 114.38 118.31 2pu3 h ARG 190 Ca 0.08 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 2pu3 h ARG 190 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2pu3 h ARG 190 CO 0.03 0.11 -0.35 1.96 -1.07 0.00 0.00 179.97 180.64 2pu3 h GLN 191 N 0.16 0.59 -0.69 0.04 4.20 -0.99 0.21 115.11 118.63 2pu3 h GLN 191 Ca 0.16 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 2pu3 h GLN 191 Cb 0.18 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2pu3 h GLN 191 CO -0.22 0.86 0.31 1.25 -0.67 0.00 0.00 178.83 180.36 2pu3 h LEU 192 N 0.49 0.92 -0.51 1.46 6.46 -0.73 -1.74 115.31 121.67 2pu3 h LEU 192 Ca 0.05 -0.15 -0.16 0.00 -0.12 0.00 0.00 57.88 57.50 2pu3 h LEU 192 Cb 0.84 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2pu3 h LEU 192 CO 0.07 0.81 -0.57 0.24 -0.62 0.00 0.00 178.44 178.37 2pu3 h MET 193 N 0.97 0.54 -0.70 1.25 2.86 -0.76 -1.19 114.93 117.88 2pu3 h MET 193 Ca 0.23 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2pu3 h MET 193 Cb 0.15 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2pu3 h MET 193 CO -0.03 0.96 0.45 0.93 1.06 0.00 0.00 176.91 180.29 2pu3 h GLU 194 N 0.41 0.93 -0.42 1.72 5.08 -0.80 -0.19 114.58 121.31 2pu3 h GLU 194 Ca 0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2pu3 h GLU 194 Cb 1.12 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2pu3 h GLU 194 CO 0.11 0.63 -0.12 0.00 -1.00 0.00 0.00 179.01 178.63 2pu3 h ALA 195 N 1.25 0.58 -0.56 3.43 0.00 -1.16 -2.79 119.26 120.01 2pu3 h ALA 195 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2pu3 h ALA 195 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2pu3 h ALA 195 CO -0.05 0.48 0.15 -1.49 0.00 0.00 0.00 179.25 178.33 2pu3 h TRP 196 N 0.64 0.87 -0.48 0.00 4.06 -0.98 -0.46 115.95 119.61 2pu3 h TRP 196 Ca 0.10 -0.08 0.05 0.00 2.06 0.00 0.00 58.89 61.03 2pu3 h TRP 196 Cb 0.66 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.51 2pu3 h TRP 196 CO 0.05 0.72 0.22 -0.97 -3.56 0.00 0.00 178.44 174.90 2pu3 h ASN 197 N 0.82 0.29 0.26 -3.49 -1.24 -0.90 -1.52 115.58 109.80 2pu3 h ASN 197 Ca 0.18 0.04 -0.18 0.00 0.71 0.00 0.00 56.30 57.05 2pu3 h ASN 197 Cb 0.28 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2pu3 h ASN 197 CO -0.00 0.20 -0.70 0.11 -1.29 0.00 0.00 177.43 175.74 2pu3 h LYS 198 N 0.43 0.39 0.00 6.67 1.79 -1.21 -3.28 116.57 121.35 2pu3 h LYS 198 Ca 0.22 -0.31 -0.12 0.00 -2.18 0.00 0.00 60.65 58.26 2pu3 h LYS 198 Cb 0.17 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2pu3 h LYS 198 CO -0.18 0.94 -0.58 0.37 -1.08 0.00 0.00 179.45 178.92 2pu3 h GLN 199 N 0.27 0.00 -3.56 3.15 5.75 -0.77 -3.41 115.11 116.54 2pu3 h GLN 199 Ca -0.02 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.84 2pu3 h GLN 199 Cb 1.27 0.00 -0.41 0.00 1.07 0.00 0.00 27.48 29.41 2pu3 h GLN 199 CO 0.12 0.58 -0.67 0.71 -2.65 0.00 0.00 178.83 176.92 2pu3 s TYR 200 N -3.20 3.01 0.73 3.99 1.51 -0.60 -5.07 117.35 117.72 2pu3 s TYR 200 Ca 0.01 -2.95 -0.15 0.00 -1.01 0.00 0.00 57.07 52.97 2pu3 s TYR 200 Cb 0.10 -2.62 0.04 0.00 -0.11 0.00 0.00 41.96 39.36 2pu3 s TYR 200 CO 0.74 -0.79 1.24 -2.30 -1.11 0.00 0.00 175.55 173.34 2pu3 n PRO 201 N 3.47 0.61 -1.83 -1.71 -0.02 -1.26 -4.37 135.00 129.89 2pu3 n PRO 201 Ca 0.05 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 2pu3 n PRO 201 Cb 0.35 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 2pu3 n PRO 201 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pu3 s VAL 202 N -1.78 2.20 0.44 -1.45 0.11 -1.26 -4.94 120.40 113.72 2pu3 s VAL 202 Ca 0.78 0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 59.99 2pu3 s VAL 202 Cb -0.33 -3.11 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2pu3 s VAL 202 CO 0.46 0.03 0.67 -0.94 -3.33 0.00 0.00 175.10 171.99 2pu3 s SER 203 N 0.37 5.94 0.36 3.54 1.04 -1.26 -4.99 113.70 118.71 2pu3 s SER 203 Ca 0.61 0.39 0.08 0.00 0.48 0.00 0.00 55.95 57.51 2pu3 s SER 203 Cb -0.46 -1.69 0.71 0.00 0.10 0.00 0.00 66.02 64.67 2pu3 s SER 203 CO 0.49 -0.63 1.89 0.00 0.98 0.00 0.00 173.24 175.96 2pu3 h THR 204 N 0.42 1.19 -0.34 2.02 1.03 -2.00 -2.34 112.91 112.89 2pu3 h THR 204 Ca -0.47 -0.83 -0.03 0.00 -0.01 0.00 0.00 66.41 65.07 2pu3 h THR 204 Cb 1.24 1.16 -0.01 0.00 -1.07 0.00 0.00 68.15 69.47 2pu3 h THR 204 CO 0.59 0.26 0.10 -0.25 -0.01 0.00 0.00 175.52 176.21 2pu3 h TRP 205 N 0.31 0.56 -0.94 0.00 2.91 -1.99 -1.82 115.95 114.98 2pu3 h TRP 205 Ca 0.06 -0.06 0.10 0.00 1.13 0.00 0.00 58.89 60.12 2pu3 h TRP 205 Cb 0.39 -0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 28.81 2pu3 h TRP 205 CO 0.01 0.55 0.61 0.93 -1.03 0.00 0.00 178.44 179.51 2pu3 h GLU 206 N 0.40 0.95 -0.23 2.65 5.08 -1.82 0.27 114.58 121.87 2pu3 h GLU 206 Ca 0.11 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2pu3 h GLU 206 Cb 0.26 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2pu3 h GLU 206 CO -0.00 0.63 -0.08 0.00 -1.00 0.00 0.00 179.01 178.55 2pu3 h THR 208 N 0.20 1.07 -0.71 0.00 2.02 -0.78 -2.13 112.91 112.57 2pu3 h THR 208 Ca 0.06 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.11 2pu3 h THR 208 Cb 0.56 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 2pu3 h THR 208 CO 0.03 0.06 0.42 -0.09 0.37 0.00 0.00 175.52 176.31 2pu3 h ARG 209 N 0.14 0.77 -0.65 6.66 2.43 -0.44 -0.79 114.38 122.50 2pu3 h ARG 209 Ca 0.05 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2pu3 h ARG 209 Cb 0.03 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2pu3 h ARG 209 CO -0.01 0.51 0.42 0.22 -1.51 0.00 0.00 179.97 179.61 2pu3 h ASP 210 N 0.80 0.73 -0.49 -3.80 3.58 -0.98 -0.22 116.42 116.03 2pu3 h ASP 210 Ca 0.30 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 2pu3 h ASP 210 Cb 0.12 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2pu3 h ASP 210 CO -0.15 0.52 0.17 -0.33 -2.88 0.00 0.00 179.24 176.57 2pu3 h GLU 211 N 0.86 0.76 -0.57 0.28 5.08 -0.68 -0.80 114.58 119.50 2pu3 h GLU 211 Ca 0.24 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2pu3 h GLU 211 Cb -0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 2pu3 h GLU 211 CO -0.06 0.70 0.20 0.00 -1.00 0.00 0.00 179.01 178.85 2pu3 h ARG 212 N 0.66 0.87 -0.45 2.33 3.08 -0.82 -2.08 114.38 117.97 2pu3 h ARG 212 Ca 0.16 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2pu3 h ARG 212 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2pu3 h ARG 212 CO -0.01 0.77 0.01 0.82 -1.07 0.00 0.00 179.97 180.49 2pu3 h ILE 213 N 0.79 1.26 -0.88 2.04 2.04 -0.90 -2.89 117.51 118.97 2pu3 h ILE 213 Ca 0.19 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2pu3 h ILE 213 Cb 0.24 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2pu3 h ILE 213 CO -0.01 0.36 0.59 0.00 0.00 0.00 0.00 178.15 179.08 2pu3 h ALA 214 N 0.91 1.38 -0.61 1.87 0.00 -0.96 0.22 119.26 122.07 2pu3 h ALA 214 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pu3 h ALA 214 Cb 0.49 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2pu3 h ALA 214 CO 0.02 0.57 0.26 0.87 0.00 0.00 0.00 179.25 180.97 2pu3 h LYS 215 N 1.19 0.88 0.08 0.00 1.57 -1.22 0.45 116.57 119.52 2pu3 h LYS 215 Ca 0.33 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 2pu3 h LYS 215 Cb -0.12 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.03 2pu3 h LYS 215 CO -0.07 0.71 -0.86 0.82 -0.57 0.00 0.00 179.45 179.48 2pu3 h ILE 216 N 0.87 1.35 0.00 1.86 1.08 -1.17 -3.40 117.51 118.12 2pu3 h ILE 216 Ca 0.21 -2.40 -0.10 0.00 -0.39 0.00 0.00 64.86 62.18 2pu3 h ILE 216 Cb 0.15 2.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 2pu3 h ILE 216 CO -0.02 0.63 -2.00 1.67 -0.69 0.00 0.00 178.15 177.74 2pu3 n GLN 217 N -4.22 0.66 0.00 2.37 7.27 0.70 -5.01 117.38 119.14 2pu3 n GLN 217 Ca -0.19 -0.11 0.00 0.00 0.07 0.00 0.00 57.00 56.77 2pu3 n GLN 217 Cb 0.74 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.84 2pu3 n GLN 217 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pu3 n GLY 218 N 1.38 2.60 3.24 1.69 0.00 0.16 -5.02 105.19 109.24 2pu3 n GLY 218 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2pu3 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu3 s ASN 219 N -0.73 2.36 0.45 1.61 4.22 -1.24 -4.89 114.94 116.71 2pu3 s ASN 219 Ca 0.00 -0.52 -0.12 0.00 -2.14 0.00 0.00 52.86 50.08 2pu3 s ASN 219 Cb 0.00 -0.19 -0.07 0.00 1.28 0.00 0.00 41.25 42.28 2pu3 s ASN 219 CO 0.00 0.13 0.85 -1.00 -2.04 0.00 0.00 177.10 175.04 2pu3 s HIS 220 N -0.83 3.48 -0.49 1.54 3.76 -1.26 -3.83 115.29 117.66 2pu3 s HIS 220 Ca 0.06 1.17 -0.27 0.00 -0.15 0.00 0.00 55.06 55.87 2pu3 s HIS 220 Cb -0.09 -2.55 0.03 0.00 1.11 0.00 0.00 32.58 31.08 2pu3 s HIS 220 CO 0.02 -0.23 1.04 1.21 -0.85 0.00 0.00 174.74 175.93 2pu3 s ASN 221 N -3.25 6.53 0.57 1.40 3.84 -1.26 -4.93 114.94 117.85 2pu3 s ASN 221 Ca 0.53 0.22 0.27 0.00 0.21 0.00 0.00 52.86 54.09 2pu3 s ASN 221 Cb -0.10 -2.50 1.63 0.00 -0.55 0.00 0.00 41.25 39.73 2pu3 s ASN 221 CO 0.33 -1.19 2.15 0.06 -2.79 0.00 0.00 177.10 175.67 2pu3 h GLN 222 N 9.20 0.00 0.00 0.43 3.07 -1.96 0.35 115.11 126.20 2pu3 h GLN 222 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.47 2pu3 h GLN 222 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.62 2pu3 h GLN 222 CO 1.09 0.00 -0.13 0.74 0.09 0.00 0.00 178.83 180.62 2pu3 h PHE 223 N 0.00 0.00 0.00 0.06 -1.00 -1.91 -1.61 116.94 112.48 2pu3 h PHE 223 Ca 0.06 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.67 2pu3 h PHE 223 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 2pu3 h PHE 223 CO 0.00 0.13 -1.07 0.28 -1.61 0.00 0.00 178.31 176.04 2pu3 n VAL 224 N -3.17 1.50 -0.16 -0.55 0.31 -0.40 -3.95 118.33 111.90 2pu3 n VAL 224 Ca 0.02 0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.37 2pu3 n VAL 224 Cb 0.50 -2.15 0.04 0.00 -0.91 0.00 0.00 33.84 31.32 2pu3 n VAL 224 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2pu3 h TYR 225 N -1.00 -0.21 -0.32 3.52 3.20 -1.05 0.31 116.97 121.42 2pu3 h TYR 225 Ca -0.25 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.60 2pu3 h TYR 225 Cb 1.06 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 2pu3 h TYR 225 CO -0.02 -0.20 -0.07 0.87 -1.64 0.00 0.00 178.16 177.11 2pu3 h LYS 226 N 0.03 0.52 0.00 1.82 1.57 -1.51 -2.62 116.57 116.38 2pu3 h LYS 226 Ca 0.25 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2pu3 h LYS 226 Cb 0.38 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2pu3 h LYS 226 CO -0.50 0.59 -0.43 0.00 -0.57 0.00 0.00 179.45 178.54 2pu3 h ALA 227 N 1.45 0.79 0.00 3.86 0.00 -1.42 -3.52 119.26 120.42 2pu3 h ALA 227 Ca 0.10 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pu3 h ALA 227 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2pu3 h ALA 227 CO 0.02 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.81