#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k25 n SER 2 N 0.00 4.20 -4.21 1.61 7.64 -1.26 -5.05 113.62 116.55 2k25 n SER 2 Ca 0.00 -3.54 -0.13 0.00 1.01 0.00 0.00 58.87 56.20 2k25 n SER 2 Cb 0.00 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.64 2k25 n SER 2 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2k25 s LEU 3 N -3.49 2.50 0.22 -3.43 -0.00 -1.26 -4.84 118.68 108.37 2k25 s LEU 3 Ca 0.45 -0.96 0.11 0.00 -0.00 0.00 0.00 54.13 53.73 2k25 s LEU 3 Cb 0.41 -0.26 -0.05 0.00 -0.00 0.00 0.00 46.19 46.30 2k25 s LEU 3 CO -0.13 -0.35 -0.20 0.68 -0.00 0.00 0.00 176.35 176.34 2k25 s VAL 4 N -3.21 2.54 0.87 1.48 -7.23 -1.26 -5.08 120.40 108.51 2k25 s VAL 4 Ca 0.13 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 2k25 s VAL 4 Cb 0.02 -2.27 0.11 0.00 0.56 0.00 0.00 36.38 34.81 2k25 s VAL 4 CO -0.01 -0.21 1.09 -2.16 -0.31 0.00 0.00 175.10 173.50 2k25 s PRO 5 N -2.99 1.50 -0.30 4.82 0.04 -1.26 -5.07 135.00 131.74 2k25 s PRO 5 Ca 0.25 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.04 2k25 s PRO 5 Cb -0.07 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.81 2k25 s PRO 5 CO 0.12 -2.10 1.00 0.50 0.04 0.00 0.00 177.00 176.57 2k25 s ARG 6 N -4.93 0.27 0.00 4.56 6.06 -1.26 -5.18 118.95 118.47 2k25 s ARG 6 Ca 0.63 0.62 0.00 0.00 -2.50 0.00 0.00 55.73 54.48 2k25 s ARG 6 Cb -0.18 0.37 0.00 0.00 0.06 0.00 0.00 34.95 35.20 2k25 s ARG 6 CO 0.57 -0.14 0.00 0.41 -2.50 0.00 0.00 175.30 173.64 2k25 n GLY 7 N 5.07 -0.01 0.07 8.12 0.00 -1.26 -5.03 105.19 112.14 2k25 n GLY 7 Ca -0.08 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 2k25 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k25 n SER 8 N 0.00 2.22 -4.52 1.61 7.64 -1.26 -4.98 113.62 114.33 2k25 n SER 8 Ca 0.00 -0.02 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 2k25 n SER 8 Cb 0.00 0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 63.58 2k25 n SER 8 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2k25 s MET 9 N -2.30 3.25 0.03 1.43 -1.94 -1.26 -5.08 119.30 113.43 2k25 s MET 9 Ca -0.10 -0.55 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 2k25 s MET 9 Cb 0.04 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 2k25 s MET 9 CO 0.46 0.42 -0.16 -0.65 -0.01 0.00 0.00 175.02 175.07 2k25 s GLN 10 N -0.14 1.14 0.26 2.03 -0.21 -1.25 -4.33 119.66 117.16 2k25 s GLN 10 Ca 0.02 -0.78 -0.06 0.00 0.02 0.00 0.00 55.36 54.56 2k25 s GLN 10 Cb -0.13 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.69 2k25 s GLN 10 CO 0.03 0.30 0.38 -1.50 -2.12 0.00 0.00 175.29 172.37 2k25 s ILE 11 N -0.74 0.00 -0.23 1.08 2.07 -0.93 -4.87 121.20 117.59 2k25 s ILE 11 Ca 0.04 -1.64 -0.08 0.00 -1.41 0.00 0.00 60.65 57.57 2k25 s ILE 11 Cb -0.08 -2.41 -0.04 0.00 0.13 0.00 0.00 42.46 40.06 2k25 s ILE 11 CO 0.01 0.00 0.08 -0.36 -1.91 0.00 0.00 174.94 172.76 2k25 s PHE 12 N -3.77 3.15 -0.04 3.50 0.40 -1.26 -4.07 117.98 115.88 2k25 s PHE 12 Ca 0.30 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2k25 s PHE 12 Cb 0.02 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.37 2k25 s PHE 12 CO 0.13 -0.15 -0.10 0.08 0.70 0.00 0.00 175.22 175.89 2k25 s VAL 13 N 1.16 0.91 -0.17 -0.44 1.01 -1.24 -3.15 120.40 118.48 2k25 s VAL 13 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2k25 s VAL 13 Cb -0.14 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.42 2k25 s VAL 13 CO 0.04 0.29 -0.19 -0.54 0.00 0.00 0.00 175.10 174.69 2k25 s LYS 14 N 0.38 3.04 0.70 2.72 -0.14 -1.26 -3.33 119.74 121.85 2k25 s LYS 14 Ca -0.07 -0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 53.60 2k25 s LYS 14 Cb -0.11 -2.56 0.17 0.00 -1.68 0.00 0.00 37.83 33.64 2k25 s LYS 14 CO 0.01 -0.13 0.86 0.25 -0.76 0.00 0.00 175.35 175.58 2k25 n THR 15 N 4.42 0.00 0.15 2.17 -2.24 -0.11 -4.82 114.28 113.85 2k25 n THR 15 Ca -0.20 -0.57 0.03 0.00 -2.27 0.00 0.00 64.05 61.04 2k25 n THR 15 Cb 0.51 -1.54 0.13 0.00 -2.10 0.00 0.00 70.33 67.33 2k25 n THR 15 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k25 h LEU 16 N 0.00 0.00 0.07 3.22 3.38 -1.88 -3.29 115.31 116.80 2k25 h LEU 16 Ca -0.29 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.34 2k25 h LEU 16 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2k25 h LEU 16 CO 0.20 0.48 -1.99 1.07 0.09 0.00 0.00 178.44 178.29 2k25 n THR 17 N -3.32 1.68 0.00 0.22 5.66 -1.26 -4.99 114.28 112.27 2k25 n THR 17 Ca 0.01 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 2k25 n THR 17 Cb 0.67 -1.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.03 2k25 n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k25 n GLY 18 N 1.88 0.54 3.74 1.09 0.00 -1.24 -5.14 105.19 106.05 2k25 n GLY 18 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2k25 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k25 s LYS 19 N 0.00 2.72 -0.07 1.61 3.01 -1.26 -4.61 119.74 121.14 2k25 s LYS 19 Ca 0.00 2.01 0.05 0.00 -1.01 0.00 0.00 55.97 57.02 2k25 s LYS 19 Cb 0.00 -1.90 -0.01 0.00 -1.01 0.00 0.00 37.83 34.91 2k25 s LYS 19 CO 0.00 -1.45 -0.23 0.99 0.51 0.00 0.00 175.35 175.17 2k25 s THR 20 N -1.44 1.94 -0.02 2.17 2.01 -1.26 -0.94 115.64 118.09 2k25 s THR 20 Ca 0.80 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2k25 s THR 20 Cb -0.36 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 2k25 s THR 20 CO 0.38 0.54 -0.14 0.27 -0.69 0.00 0.00 174.62 174.98 2k25 s ILE 21 N 0.02 1.17 -0.19 1.82 -0.00 -1.21 -5.01 121.20 117.79 2k25 s ILE 21 Ca -0.08 -0.60 -0.29 0.00 -0.00 0.00 0.00 60.65 59.68 2k25 s ILE 21 Cb -0.15 -0.99 -0.00 0.00 -0.00 0.00 0.00 42.46 41.32 2k25 s ILE 21 CO 0.05 0.34 1.14 -0.89 -0.00 0.00 0.00 174.94 175.58 2k25 s THR 22 N -0.11 4.49 0.23 8.37 2.01 -1.26 -3.73 115.64 125.63 2k25 s THR 22 Ca 0.01 1.80 0.08 0.00 0.31 0.00 0.00 61.69 63.89 2k25 s THR 22 Cb -0.08 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 2k25 s THR 22 CO 0.00 -0.15 0.04 -0.76 -0.69 0.00 0.00 174.62 173.07 2k25 s LEU 23 N 3.25 3.39 0.08 4.42 2.01 -1.26 -4.13 118.68 126.44 2k25 s LEU 23 Ca 0.49 -0.46 -0.01 0.00 0.01 0.00 0.00 54.13 54.17 2k25 s LEU 23 Cb -0.18 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2k25 s LEU 23 CO 0.11 0.03 0.24 -0.70 1.01 0.00 0.00 176.35 177.04 2k25 s GLU 24 N -3.42 3.47 0.05 1.70 2.12 -1.26 -2.18 118.70 119.17 2k25 s GLU 24 Ca 0.30 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2k25 s GLU 24 Cb -0.08 -3.00 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 2k25 s GLU 24 CO 0.21 0.58 -0.07 0.08 -0.54 0.00 0.00 175.26 175.51 2k25 s VAL 25 N -1.55 0.55 -0.29 3.70 1.01 -1.26 -4.87 120.40 117.70 2k25 s VAL 25 Ca 0.36 -1.24 -0.27 0.00 0.00 0.00 0.00 61.98 60.83 2k25 s VAL 25 Cb -0.13 -0.81 0.18 0.00 0.00 0.00 0.00 36.38 35.63 2k25 s VAL 25 CO 0.28 -0.49 1.36 -1.61 0.00 0.00 0.00 175.10 174.65 2k25 s GLU 26 N -2.03 0.12 0.37 2.72 2.02 -1.26 -4.88 118.70 115.77 2k25 s GLU 26 Ca -0.06 0.09 0.16 0.00 0.02 0.00 0.00 54.97 55.18 2k25 s GLU 26 Cb -0.07 0.06 0.72 0.00 0.10 0.00 0.00 34.13 34.94 2k25 s GLU 26 CO -0.01 -0.02 1.78 -1.00 0.02 0.00 0.00 175.26 176.03 2k25 h PRO 27 N 2.84 0.00 -0.01 0.39 0.13 -1.98 -3.03 132.00 130.35 2k25 h PRO 27 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2k25 h PRO 27 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k25 h PRO 27 CO 0.19 0.39 -0.58 0.45 -0.23 0.00 0.00 178.00 178.23 2k25 n SER 28 N -3.80 1.14 -4.45 1.44 2.88 -1.26 -1.33 113.62 108.24 2k25 n SER 28 Ca -0.01 -1.07 -0.35 0.00 -1.33 0.00 0.00 58.87 56.11 2k25 n SER 28 Cb 0.46 0.78 -0.12 0.00 -0.75 0.00 0.00 64.21 64.57 2k25 n SER 28 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k25 s ASP 29 N -2.27 4.91 0.59 -3.46 2.15 -1.14 -4.93 116.67 112.51 2k25 s ASP 29 Ca 0.09 -0.19 0.02 0.00 0.43 0.00 0.00 52.55 52.90 2k25 s ASP 29 Cb 0.13 -1.85 0.06 0.00 -0.30 0.00 0.00 42.92 40.96 2k25 s ASP 29 CO 0.55 0.05 0.82 0.28 -0.17 0.00 0.00 175.17 176.70 2k25 s THR 30 N 1.09 2.49 0.61 1.71 -1.32 -1.26 -4.10 115.64 114.87 2k25 s THR 30 Ca 0.03 -0.71 0.30 0.00 -1.21 0.00 0.00 61.69 60.09 2k25 s THR 30 Cb -0.14 -2.78 0.36 0.00 -1.51 0.00 0.00 72.50 68.43 2k25 s THR 30 CO 0.02 0.00 2.02 0.40 -2.21 0.00 0.00 174.62 174.84 2k25 h ILE 31 N -0.03 0.34 -0.11 5.08 1.08 -1.94 -2.16 117.51 119.76 2k25 h ILE 31 Ca -0.39 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.13 2k25 h ILE 31 Cb 1.29 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.72 2k25 h ILE 31 CO 0.47 0.00 -0.33 -0.08 -0.69 0.00 0.00 178.15 177.52 2k25 h GLU 32 N 0.00 -0.40 0.10 2.37 4.81 -1.94 -0.52 114.58 118.99 2k25 h GLU 32 Ca 0.11 0.03 -0.27 0.00 -0.13 0.00 0.00 59.36 59.09 2k25 h GLU 32 Cb 0.72 0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.20 2k25 h GLU 32 CO -0.00 -0.27 -1.17 -0.97 -0.73 0.00 0.00 179.01 175.87 2k25 h ASN 33 N -0.42 0.64 -0.81 1.04 -0.73 -1.80 -3.25 115.58 110.26 2k25 h ASN 33 Ca 0.09 -0.60 0.20 0.00 1.87 0.00 0.00 56.30 57.85 2k25 h ASN 33 Cb 0.55 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 2k25 h ASN 33 CO -0.34 1.43 0.56 0.58 -0.37 0.00 0.00 177.43 179.29 2k25 h VAL 34 N 0.20 0.68 -0.56 2.57 2.07 -1.11 0.14 116.25 120.24 2k25 h VAL 34 Ca -0.15 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.45 2k25 h VAL 34 Cb 1.85 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2k25 h VAL 34 CO 0.21 0.05 0.49 0.07 0.02 0.00 0.00 177.57 178.41 2k25 h LYS 35 N 0.26 0.00 -0.07 1.57 2.10 -1.13 0.35 116.57 119.64 2k25 h LYS 35 Ca 0.41 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.97 2k25 h LYS 35 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2k25 h LYS 35 CO -0.10 0.00 -0.35 0.00 -2.00 0.00 0.00 179.45 177.00 2k25 h ALA 36 N 1.54 1.29 -0.05 0.07 0.00 -0.92 0.45 119.26 121.64 2k25 h ALA 36 Ca 0.27 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2k25 h ALA 36 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k25 h ALA 36 CO -0.00 0.50 -0.25 0.87 0.00 0.00 0.00 179.25 180.37 2k25 h LYS 37 N 0.12 0.25 0.00 0.00 6.56 -0.45 -3.28 116.57 119.77 2k25 h LYS 37 Ca 0.01 -0.21 -0.15 0.00 -1.06 0.00 0.00 60.65 59.25 2k25 h LYS 37 Cb 0.68 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.36 2k25 h LYS 37 CO 0.05 0.86 -0.72 0.97 -2.06 0.00 0.00 179.45 178.55 2k25 h ILE 38 N -0.30 1.41 -0.99 1.86 -0.00 -1.45 -3.23 117.51 114.82 2k25 h ILE 38 Ca -0.02 -2.55 0.20 0.00 -0.00 0.00 0.00 64.86 62.49 2k25 h ILE 38 Cb 0.91 2.42 -0.10 0.00 -0.00 0.00 0.00 36.82 40.05 2k25 h ILE 38 CO 0.05 0.70 0.62 -0.61 -0.00 0.00 0.00 178.15 178.91 2k25 h GLN 39 N 0.00 0.61 0.00 2.19 5.75 -0.14 0.42 115.11 123.94 2k25 h GLN 39 Ca -0.01 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.34 2k25 h GLN 39 Cb 1.36 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 2k25 h GLN 39 CO 0.09 0.40 -0.54 0.22 -2.65 0.00 0.00 178.83 176.36 2k25 h ASP 40 N 0.63 0.00 0.23 -0.69 3.58 -1.63 -0.16 116.42 118.37 2k25 h ASP 40 Ca 0.56 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 58.00 2k25 h ASP 40 Cb 1.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2k25 h ASP 40 CO -0.32 0.54 -0.11 0.11 -2.88 0.00 0.00 179.24 176.57 2k25 h LYS 41 N 0.00 -0.30 0.00 0.28 1.79 -0.34 -3.31 116.57 114.70 2k25 h LYS 41 Ca -0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k25 h LYS 41 Cb 1.23 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2k25 h LYS 41 CO 0.07 0.05 -0.64 0.39 -1.08 0.00 0.00 179.45 178.24 2k25 n GLU 42 N -4.99 1.14 -0.35 3.15 1.02 -0.12 -4.10 120.64 116.40 2k25 n GLU 42 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2k25 n GLU 42 Cb 0.25 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k25 n GLY 43 N 2.47 1.58 3.42 0.62 0.00 -0.07 -4.99 105.19 108.22 2k25 n GLY 43 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2k25 n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k25 s ILE 44 N -2.03 5.12 0.98 -0.61 -1.09 -1.26 -4.93 121.20 117.37 2k25 s ILE 44 Ca 0.00 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.45 2k25 s ILE 44 Cb 0.00 -3.93 0.18 0.00 -1.58 0.00 0.00 42.46 37.12 2k25 s ILE 44 CO 0.00 -0.40 1.09 -2.16 -1.23 0.00 0.00 174.94 172.25 2k25 s PRO 45 N 1.64 0.61 0.40 2.79 0.04 -1.26 -4.69 135.00 134.53 2k25 s PRO 45 Ca 0.04 0.59 0.19 0.00 0.04 0.00 0.00 61.00 61.87 2k25 s PRO 45 Cb -0.21 -1.75 0.85 0.00 0.04 0.00 0.00 34.50 33.43 2k25 s PRO 45 CO 0.08 -2.63 1.82 -1.00 0.04 0.00 0.00 177.00 175.32 2k25 h PRO 46 N -1.82 0.00 0.00 0.56 0.13 -1.90 -1.16 132.00 127.81 2k25 h PRO 46 Ca -0.53 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2k25 h PRO 46 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2k25 h PRO 46 CO 0.57 0.32 -0.32 -0.44 -0.23 0.00 0.00 178.00 177.90 2k25 h ASP 47 N 0.00 0.00 -0.42 1.44 3.32 -1.99 -3.20 116.42 115.57 2k25 h ASP 47 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k25 h ASP 47 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2k25 h ASP 47 CO 0.04 0.32 0.00 1.67 -1.72 0.00 0.00 179.24 179.55 2k25 n GLN 48 N -3.19 2.67 -4.14 3.56 -0.06 -1.05 -4.96 117.38 110.21 2k25 n GLN 48 Ca 0.03 -2.15 -0.15 0.00 -2.00 0.00 0.00 57.00 52.72 2k25 n GLN 48 Cb 0.65 -1.35 -0.13 0.00 -4.06 0.00 0.00 30.24 25.35 2k25 n GLN 48 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2k25 s GLN 49 N -1.02 0.52 0.33 3.69 -2.07 -0.47 -4.32 119.66 116.33 2k25 s GLN 49 Ca 0.29 -0.48 -0.03 0.00 -1.82 0.00 0.00 55.36 53.33 2k25 s GLN 49 Cb 0.16 -0.41 0.07 0.00 -1.09 0.00 0.00 33.01 31.74 2k25 s GLN 49 CO 0.21 0.10 0.46 0.54 -1.32 0.00 0.00 175.29 175.27 2k25 n ARG 50 N 2.24 -0.02 -4.66 9.60 1.74 -1.26 -4.73 116.66 119.57 2k25 n ARG 50 Ca -0.17 -0.99 -0.24 0.00 -0.77 0.00 0.00 57.85 55.68 2k25 n ARG 50 Cb 0.56 -0.38 -0.16 0.00 -1.02 0.00 0.00 32.46 31.46 2k25 n ARG 50 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2k25 s LEU 51 N 0.00 1.81 -0.13 0.55 0.20 -1.26 -4.23 118.68 115.62 2k25 s LEU 51 Ca 0.28 -0.30 -0.01 0.00 0.69 0.00 0.00 54.13 54.79 2k25 s LEU 51 Cb -0.01 -0.83 0.04 0.00 -0.43 0.00 0.00 46.19 44.95 2k25 s LEU 51 CO 0.19 0.10 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.70 2k25 s ILE 52 N 0.25 0.70 -0.21 6.68 -1.09 -1.08 -3.17 121.20 123.29 2k25 s ILE 52 Ca -0.07 -0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2k25 s ILE 52 Cb -0.12 -0.93 0.06 0.00 -1.58 0.00 0.00 42.46 39.89 2k25 s ILE 52 CO 0.02 0.13 -0.02 0.12 -1.23 0.00 0.00 174.94 173.97 2k25 s PHE 53 N 1.82 1.73 -1.38 3.97 5.36 0.86 -2.69 117.98 127.65 2k25 s PHE 53 Ca 0.02 -1.29 -0.03 0.00 -0.96 0.00 0.00 56.93 54.67 2k25 s PHE 53 Cb -0.14 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.24 2k25 s PHE 53 CO -0.07 -0.68 0.27 0.00 -1.46 0.00 0.00 175.22 173.28 2k25 n ALA 54 N 4.86 -0.87 0.00 11.12 0.00 -1.26 0.07 120.51 134.43 2k25 n ALA 54 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k25 n ALA 54 Cb 0.46 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2k25 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k25 n GLY 55 N -1.12 2.18 3.70 0.00 0.00 -1.26 -5.02 105.19 103.67 2k25 n GLY 55 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2k25 n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k25 s LYS 56 N -0.45 4.15 0.48 1.61 2.47 0.11 -5.07 119.74 123.04 2k25 s LYS 56 Ca 0.00 -0.16 -0.13 0.00 -1.56 0.00 0.00 55.97 54.12 2k25 s LYS 56 Cb 0.00 -3.47 -0.07 0.00 -1.46 0.00 0.00 37.83 32.83 2k25 s LYS 56 CO 0.00 0.18 0.88 1.14 0.16 0.00 0.00 175.35 177.71 2k25 s GLN 57 N 0.71 3.81 0.00 4.03 -2.07 -1.26 -0.10 119.66 124.78 2k25 s GLN 57 Ca 0.10 0.68 0.00 0.00 -1.82 0.00 0.00 55.36 54.31 2k25 s GLN 57 Cb -0.12 -2.26 0.00 0.00 -1.09 0.00 0.00 33.01 29.54 2k25 s GLN 57 CO 0.02 -0.19 0.00 1.28 -1.32 0.00 0.00 175.29 175.07 2k25 n LEU 58 N -1.62 0.00 0.08 2.60 4.32 -1.19 -4.92 117.00 116.27 2k25 n LEU 58 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2k25 n LEU 58 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 2k25 n LEU 58 CO 0.48 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.86 2k25 n GLU 59 N 0.00 0.00 -1.59 3.23 4.07 -1.26 -4.59 120.64 120.50 2k25 n GLU 59 Ca 0.00 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 2k25 n GLU 59 Cb 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.39 2k25 n GLU 59 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2k25 n ASP 60 N -2.85 0.98 -4.15 4.31 8.00 -1.26 -4.94 116.55 116.64 2k25 n ASP 60 Ca 0.00 1.02 -0.38 0.00 0.71 0.00 0.00 54.79 56.14 2k25 n ASP 60 Cb 0.00 -1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 39.72 2k25 n ASP 60 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2k25 s GLY 61 N -0.77 2.87 0.30 0.44 0.00 -1.26 -5.04 107.32 103.86 2k25 s GLY 61 Ca 0.63 -3.61 0.03 0.00 0.00 0.00 0.00 44.72 41.78 2k25 s GLY 61 CO 0.57 1.18 0.06 0.50 0.00 0.00 0.00 173.10 175.41 2k25 s ARG 62 N -0.78 1.57 0.63 2.90 1.81 -1.26 -4.99 118.95 118.83 2k25 s ARG 62 Ca 0.23 -1.86 -0.12 0.00 -1.72 0.00 0.00 55.73 52.27 2k25 s ARG 62 Cb -0.12 -0.71 -0.03 0.00 -0.45 0.00 0.00 34.95 33.65 2k25 s ARG 62 CO -0.09 -0.20 1.04 0.95 -0.68 0.00 0.00 175.30 176.32 2k25 s THR 63 N -3.41 4.30 0.30 0.02 -4.23 -1.26 -4.58 115.64 106.77 2k25 s THR 63 Ca 0.36 0.83 0.02 0.00 -1.18 0.00 0.00 61.69 61.73 2k25 s THR 63 Cb 0.08 -3.60 0.11 0.00 1.34 0.00 0.00 72.50 70.43 2k25 s THR 63 CO 0.14 -0.89 1.78 -0.07 -0.54 0.00 0.00 174.62 175.05 2k25 h LEU 64 N -0.22 0.54 -0.54 4.79 3.38 -1.71 -0.10 115.31 121.46 2k25 h LEU 64 Ca -0.45 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.22 2k25 h LEU 64 Cb 1.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2k25 h LEU 64 CO 0.59 0.69 -0.59 -1.28 0.09 0.00 0.00 178.44 177.94 2k25 h SER 65 N 0.52 0.50 -0.05 -0.43 0.87 -1.49 0.29 113.55 113.77 2k25 h SER 65 Ca 0.09 -0.28 -0.24 0.00 -1.23 0.00 0.00 61.79 60.14 2k25 h SER 65 Cb 0.51 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2k25 h SER 65 CO 0.03 0.98 -0.89 -0.33 -0.53 0.00 0.00 176.83 176.09 2k25 h GLU 66 N 0.33 0.69 -0.00 2.24 4.39 -1.68 -3.17 114.58 117.37 2k25 h GLU 66 Ca -0.00 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.02 2k25 h GLU 66 Cb 1.13 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2k25 h GLU 66 CO 0.10 1.27 -0.23 0.98 -1.16 0.00 0.00 179.01 179.97 2k25 n TYR 67 N -3.94 0.00 -3.88 4.33 4.19 -0.08 -4.95 117.16 112.84 2k25 n TYR 67 Ca -0.10 0.00 -0.24 0.00 3.31 0.00 0.00 57.90 60.87 2k25 n TYR 67 Cb 0.81 -0.27 -0.00 0.00 0.49 0.00 0.00 39.34 40.37 2k25 n TYR 67 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2k25 n ASN 68 N -1.22 -0.88 -4.62 2.98 4.13 0.96 -4.98 115.26 111.64 2k25 n ASN 68 Ca 0.10 -0.93 -0.23 0.00 1.68 0.00 0.00 54.58 55.19 2k25 n ASN 68 Cb 0.32 -3.42 -0.08 0.00 -1.54 0.00 0.00 39.78 35.06 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2k25 s ILE 69 N -3.81 3.26 -1.11 2.41 -4.36 -0.83 -5.04 121.20 111.71 2k25 s ILE 69 Ca 0.06 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 2k25 s ILE 69 Cb -0.03 -2.77 0.27 0.00 1.25 0.00 0.00 42.46 41.19 2k25 s ILE 69 CO 0.86 -0.36 1.80 0.00 0.24 0.00 0.00 174.94 177.48 2k25 n GLN 70 N -0.87 4.85 -0.44 0.37 6.02 -1.26 -4.68 117.38 121.37 2k25 n GLN 70 Ca -0.06 -4.35 0.07 0.00 -0.01 0.00 0.00 57.00 52.64 2k25 n GLN 70 Cb 0.59 -2.55 0.26 0.00 1.02 0.00 0.00 30.24 29.56 2k25 n GLN 70 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k25 n LYS 71 N 1.02 2.94 -1.47 -1.09 5.02 -1.26 -4.26 118.16 119.06 2k25 n LYS 71 Ca 0.42 -2.03 -0.32 0.00 -2.02 0.00 0.00 58.31 54.36 2k25 n LYS 71 Cb 0.29 -1.71 0.07 0.00 -0.02 0.00 0.00 35.03 33.66 2k25 n LYS 71 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2k25 n GLU 72 N 0.74 2.87 0.00 1.97 0.28 -1.26 -4.67 120.64 120.57 2k25 n GLU 72 Ca 0.18 -3.47 0.00 0.00 -0.16 0.00 0.00 57.16 53.71 2k25 n GLU 72 Cb 0.67 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.25 2k25 n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k25 n SER 73 N -0.88 0.00 -3.73 -1.84 2.88 -1.26 -5.09 113.62 103.69 2k25 n SER 73 Ca 0.59 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.86 2k25 n SER 73 Cb 0.74 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.04 2k25 n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k25 s THR 74 N -0.20 0.49 -0.00 2.46 2.01 -1.26 -4.43 115.64 114.70 2k25 s THR 74 Ca 0.00 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2k25 s THR 74 Cb 0.00 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2k25 s THR 74 CO 0.00 -0.18 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.86 2k25 s LEU 75 N 1.88 2.05 -0.21 4.42 2.01 -1.19 -4.33 118.68 123.32 2k25 s LEU 75 Ca -0.00 -0.28 -0.03 0.00 0.01 0.00 0.00 54.13 53.83 2k25 s LEU 75 Cb -0.17 -0.67 0.06 0.00 0.01 0.00 0.00 46.19 45.43 2k25 s LEU 75 CO -0.08 0.14 0.05 -1.00 1.01 0.00 0.00 176.35 176.47 2k25 s HIS 76 N -0.41 1.02 -0.37 0.29 3.76 -1.09 -3.90 115.29 114.59 2k25 s HIS 76 Ca 0.04 -0.91 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 2k25 s HIS 76 Cb -0.06 -1.06 0.12 0.00 1.11 0.00 0.00 32.58 32.69 2k25 s HIS 76 CO -0.00 -0.64 0.15 -0.48 -0.85 0.00 0.00 174.74 172.93 2k25 s LEU 77 N 1.86 2.71 -0.15 0.89 2.34 -1.26 -2.64 118.68 122.43 2k25 s LEU 77 Ca 0.00 -2.12 -0.14 0.00 0.06 0.00 0.00 54.13 51.93 2k25 s LEU 77 Cb -0.17 -1.02 0.04 0.00 -0.56 0.00 0.00 46.19 44.48 2k25 s LEU 77 CO -0.10 -0.35 0.39 0.54 -1.06 0.00 0.00 176.35 175.77 2k25 s VAL 78 N 0.99 -0.00 -0.28 1.48 0.11 -1.26 -4.78 120.40 116.66 2k25 s VAL 78 Ca 0.13 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2k25 s VAL 78 Cb -0.21 -0.55 0.05 0.00 -1.53 0.00 0.00 36.38 34.15 2k25 s VAL 78 CO -0.12 0.00 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.39 2k25 s LEU 79 N 0.21 3.65 -0.60 2.54 2.96 -1.26 -4.59 118.68 121.58 2k25 s LEU 79 Ca -0.00 -1.24 -0.21 0.00 -0.22 0.00 0.00 54.13 52.46 2k25 s LEU 79 Cb -0.03 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 45.03 2k25 s LEU 79 CO 0.01 -0.22 0.64 -1.14 -1.32 0.00 0.00 176.35 174.32 2k25 n ARG 80 N 4.58 -1.80 -0.70 1.98 0.63 -1.26 -4.88 116.66 115.21 2k25 n ARG 80 Ca -0.14 1.26 -0.33 0.00 -0.92 0.00 0.00 57.85 57.73 2k25 n ARG 80 Cb 0.44 -2.73 0.16 0.00 0.45 0.00 0.00 32.46 30.78 2k25 n ARG 80 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2k25 n LEU 81 N -1.16 -2.37 -3.65 6.15 -0.00 -1.26 -5.04 117.00 109.67 2k25 n LEU 81 Ca -0.14 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.01 55.74 2k25 n LEU 81 Cb 0.66 -0.92 -0.04 0.00 -0.00 0.00 0.00 43.42 43.11 2k25 n LEU 81 CO 0.58 -3.04 1.19 -0.60 -0.00 0.00 0.00 177.39 175.51 2k25 s ARG 82 N -3.32 0.02 0.51 1.47 3.52 -1.26 -5.09 118.95 114.81 2k25 s ARG 82 Ca 0.54 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 2k25 s ARG 82 Cb -0.10 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2k25 s ARG 82 CO 0.66 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.55 2k25 n GLY 83 N 0.64 -3.38 0.90 8.12 0.00 -1.26 -4.98 105.19 105.23 2k25 n GLY 83 Ca -0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2k25 n GLY 83 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2k25 n TYR 84 N -3.66 -3.50 -0.16 1.61 4.02 -1.26 -5.00 117.16 109.21 2k25 n TYR 84 Ca -0.07 -0.37 -0.18 0.00 -0.01 0.00 0.00 57.90 57.28 2k25 n TYR 84 Cb 0.53 -0.19 0.17 0.00 -0.02 0.00 0.00 39.34 39.84 2k25 n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k25 n ALA 85 N -3.05 -3.12 -2.53 -0.72 0.00 -1.26 -4.82 120.51 105.01 2k25 n ALA 85 Ca -0.04 -0.91 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 2k25 n ALA 85 Cb 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.39 2k25 n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k25 s ASP 86 N -2.57 2.04 -0.08 0.00 1.01 -1.25 -5.03 116.67 110.80 2k25 s ASP 86 Ca 0.40 -0.77 0.18 0.00 0.71 0.00 0.00 52.55 53.07 2k25 s ASP 86 Cb -0.07 -0.08 -0.28 0.00 1.01 0.00 0.00 42.92 43.51 2k25 s ASP 86 CO 0.33 -0.10 0.31 0.18 0.21 0.00 0.00 175.17 176.10 2k25 n LEU 87 N 0.71 0.00 -3.89 1.23 4.32 -1.26 -4.73 117.00 113.37 2k25 n LEU 87 Ca -0.17 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.52 2k25 n LEU 87 Cb 0.56 0.15 -0.16 0.00 -1.62 0.00 0.00 43.42 42.35 2k25 n LEU 87 CO 0.26 0.15 -0.40 -0.60 -1.22 0.00 0.00 177.39 175.57 2k25 s ARG 88 N -3.05 1.37 -0.24 3.23 3.00 -1.26 -4.98 118.95 117.03 2k25 s ARG 88 Ca -0.08 -0.92 -0.28 0.00 -1.00 0.00 0.00 55.73 53.45 2k25 s ARG 88 Cb 0.10 -2.48 0.16 0.00 0.00 0.00 0.00 34.95 32.72 2k25 s ARG 88 CO 0.79 -0.64 1.18 -2.00 0.00 0.00 0.00 175.30 174.62 2k25 s GLU 89 N 1.48 0.34 -0.33 5.12 2.12 -1.26 -5.11 118.70 121.06 2k25 s GLU 89 Ca -0.03 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.40 2k25 s GLU 89 Cb -0.18 0.16 0.24 0.00 0.26 0.00 0.00 34.13 34.61 2k25 s GLU 89 CO -0.08 -0.09 1.17 -0.40 -0.54 0.00 0.00 175.26 175.32 2k25 n ASP 90 N 0.99 -1.35 0.15 -1.70 5.75 -1.26 -5.00 116.55 114.14 2k25 n ASP 90 Ca -0.07 -1.30 0.13 0.00 -0.01 0.00 0.00 54.79 53.53 2k25 n ASP 90 Cb 0.58 0.70 0.53 0.00 -1.03 0.00 0.00 41.12 41.90 2k25 n ASP 90 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2k25 h PRO 91 N 3.69 0.00 -1.88 0.11 0.13 -1.98 -3.44 132.00 128.63 2k25 h PRO 91 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2k25 h PRO 91 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2k25 h PRO 91 CO -0.15 0.00 0.23 0.16 -0.23 0.00 0.00 178.00 178.01 2k25 s ASP 92 N -4.46 -0.65 0.44 1.44 -4.77 -1.26 -5.02 116.67 102.39 2k25 s ASP 92 Ca 0.04 1.22 0.07 0.00 -3.30 0.00 0.00 52.55 50.57 2k25 s ASP 92 Cb 0.09 1.22 -0.03 0.00 -1.09 0.00 0.00 42.92 43.11 2k25 s ASP 92 CO 0.41 -0.25 0.24 0.00 0.70 0.00 0.00 175.17 176.26 2k25 s ARG 93 N 0.19 2.27 0.62 2.11 1.04 -1.26 -5.00 118.95 118.92 2k25 s ARG 93 Ca 0.00 -1.86 -0.18 0.00 -1.04 0.00 0.00 55.73 52.65 2k25 s ARG 93 Cb -0.05 -2.03 -0.02 0.00 -2.04 0.00 0.00 34.95 30.81 2k25 s ARG 93 CO -0.00 -0.22 1.22 -0.65 -0.04 0.00 0.00 175.30 175.61 2k25 s GLN 94 N -4.00 2.82 -0.34 3.89 -0.21 -1.26 -5.01 119.66 115.56 2k25 s GLN 94 Ca 0.39 1.85 -0.07 0.00 0.02 0.00 0.00 55.36 57.55 2k25 s GLN 94 Cb 0.02 -1.91 0.19 0.00 1.00 0.00 0.00 33.01 32.31 2k25 s GLN 94 CO 0.22 -1.33 1.00 0.34 -2.12 0.00 0.00 175.29 173.40 2k25 s ASP 95 N -1.62 -0.48 0.38 5.90 2.15 -1.26 -5.17 116.67 116.56 2k25 s ASP 95 Ca 0.78 -0.27 -0.07 0.00 0.43 0.00 0.00 52.55 53.43 2k25 s ASP 95 Cb -0.31 0.62 0.03 0.00 -0.30 0.00 0.00 42.92 42.95 2k25 s ASP 95 CO 0.35 -0.05 0.62 -1.38 -0.17 0.00 0.00 175.17 174.54 2k25 s HIS 96 N 1.89 0.75 -0.50 -5.34 -3.43 -1.26 -5.12 115.29 102.27 2k25 s HIS 96 Ca 0.15 -1.16 0.06 0.00 -0.80 0.00 0.00 55.06 53.31 2k25 s HIS 96 Cb 0.03 0.29 0.22 0.00 -1.43 0.00 0.00 32.58 31.69 2k25 s HIS 96 CO -0.14 -1.36 0.84 1.58 -2.00 0.00 0.00 174.74 173.66 2k25 n HIS 97 N -0.58 -3.50 -0.55 0.38 -0.00 -1.26 -5.16 115.22 104.55 2k25 n HIS 97 Ca -0.03 -1.60 -0.03 0.00 0.46 0.00 0.00 57.72 56.52 2k25 n HIS 97 Cb 0.61 1.54 0.03 0.00 -0.12 0.00 0.00 29.99 32.04 2k25 n HIS 97 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2k25 n PRO 98 N 2.12 -1.24 -0.16 1.57 -0.04 -1.26 -5.09 135.00 130.90 2k25 n PRO 98 Ca 0.12 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2k25 n PRO 98 Cb 0.61 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2k25 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k25 n GLY 99 N 1.72 2.99 2.50 0.55 0.00 -1.26 -5.09 105.19 106.59 2k25 n GLY 99 Ca 0.02 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 2k25 n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k25 n SER 100 N -0.36 1.41 0.00 1.61 7.64 -1.26 -5.10 113.62 117.56 2k25 n SER 100 Ca 0.00 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.01 2k25 n SER 100 Cb 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2k25 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k25 n GLY 101 N 1.93 1.54 1.31 0.23 0.00 -1.26 -4.74 105.19 104.20 2k25 n GLY 101 Ca 0.25 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2k25 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k25 n ALA 102 N 5.59 3.00 0.86 4.61 0.00 -1.26 -5.29 120.51 128.02 2k25 n ALA 102 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2k25 n ALA 102 Cb 0.00 0.07 0.09 0.00 0.00 0.00 0.00 19.45 19.61 2k25 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50