#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 -4.32 -4.76 1.61 3.41 -1.26 -4.89 113.62 103.41 2k25 n SER 2 Ca 0.00 -0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.19 2k25 n SER 2 Cb 0.00 -3.61 0.03 0.00 -0.26 0.00 0.00 64.21 60.37 2k25 n SER 2 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2k25 s LEU 3 N -6.01 3.98 -0.11 1.04 2.34 -1.26 -5.01 118.68 113.65 2k25 s LEU 3 Ca 0.14 2.84 0.01 0.00 0.06 0.00 0.00 54.13 57.18 2k25 s LEU 3 Cb -0.07 -4.10 -0.02 0.00 -0.56 0.00 0.00 46.19 41.44 2k25 s LEU 3 CO 0.17 -1.37 -0.13 0.54 -1.06 0.00 0.00 176.35 174.51 2k25 s VAL 4 N -1.25 3.13 -0.15 1.48 0.11 -1.26 -5.06 120.40 117.40 2k25 s VAL 4 Ca 0.66 -0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2k25 s VAL 4 Cb -0.42 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 2k25 s VAL 4 CO 0.52 0.54 1.56 -2.16 -3.33 0.00 0.00 175.10 172.24 2k25 s PRO 5 N -0.00 4.03 -0.30 1.54 0.04 -1.26 -4.95 135.00 134.09 2k25 s PRO 5 Ca -0.03 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 2k25 s PRO 5 Cb -0.14 -3.96 0.18 0.00 0.04 0.00 0.00 34.50 30.62 2k25 s PRO 5 CO 0.04 -1.01 1.15 0.50 0.04 0.00 0.00 177.00 177.72 2k25 s ARG 6 N 4.20 0.15 0.28 4.56 3.52 -1.26 -5.19 118.95 125.22 2k25 s ARG 6 Ca 0.69 0.39 -0.19 0.00 -0.13 0.00 0.00 55.73 56.49 2k25 s ARG 6 Cb -0.27 0.23 0.07 0.00 -1.56 0.00 0.00 34.95 33.42 2k25 s ARG 6 CO 0.26 -0.05 0.93 0.20 -0.81 0.00 0.00 175.30 175.83 2k25 s GLY 7 N 2.24 0.26 -0.11 8.12 0.00 -1.26 -5.10 107.32 111.48 2k25 s GLY 7 Ca -0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 2k25 s GLY 7 CO -0.17 1.36 -0.24 1.44 0.00 0.00 0.00 173.10 175.49 2k25 n SER 8 N -1.39 1.52 -4.61 1.64 7.64 -1.26 -4.99 113.62 112.17 2k25 n SER 8 Ca -0.05 0.25 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 2k25 n SER 8 Cb 0.60 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.47 3.68 0.04 1.43 -1.94 -1.26 -5.11 119.30 113.67 2k25 s MET 9 Ca -0.20 -0.40 0.04 0.00 -1.71 0.00 0.00 55.69 53.42 2k25 s MET 9 Cb 0.03 -3.04 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 2k25 s MET 9 CO 0.29 0.36 -0.13 -0.65 -0.01 0.00 0.00 175.02 174.89 2k25 s GLN 10 N 0.09 0.84 0.25 2.03 -0.21 -1.25 -4.27 119.66 117.13 2k25 s GLN 10 Ca 0.03 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.61 2k25 s GLN 10 Cb -0.13 -0.82 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 2k25 s GLN 10 CO 0.02 0.20 0.35 -1.50 -2.12 0.00 0.00 175.29 172.24 2k25 s ILE 11 N -0.89 0.00 -0.24 1.08 2.07 -0.83 -4.84 121.20 117.55 2k25 s ILE 11 Ca -0.00 -1.65 -0.07 0.00 -1.41 0.00 0.00 60.65 57.52 2k25 s ILE 11 Cb -0.08 -2.37 -0.03 0.00 0.13 0.00 0.00 42.46 40.11 2k25 s ILE 11 CO 0.01 0.00 0.07 -0.36 -1.91 0.00 0.00 174.94 172.75 2k25 s PHE 12 N -3.93 3.10 -0.03 3.50 0.08 -1.26 -4.20 117.98 115.24 2k25 s PHE 12 Ca 0.30 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2k25 s PHE 12 Cb 0.02 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 2k25 s PHE 12 CO 0.12 -0.30 -0.05 0.08 -0.10 0.00 0.00 175.22 174.97 2k25 s VAL 13 N 1.45 0.48 -0.20 -0.44 1.01 -1.25 -3.32 120.40 118.14 2k25 s VAL 13 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2k25 s VAL 13 Cb -0.15 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2k25 s VAL 13 CO 0.03 0.19 -0.17 -0.54 0.00 0.00 0.00 175.10 174.61 2k25 s LYS 14 N 0.54 2.88 0.84 2.72 3.01 -1.26 -3.47 119.74 125.00 2k25 s LYS 14 Ca -0.07 -0.91 -0.14 0.00 -1.01 0.00 0.00 55.97 53.84 2k25 s LYS 14 Cb -0.10 -2.67 0.20 0.00 -1.01 0.00 0.00 37.83 34.25 2k25 s LYS 14 CO -0.00 -0.28 0.88 0.25 0.51 0.00 0.00 175.35 176.72 2k25 n THR 15 N 4.60 0.00 0.09 2.17 -2.24 -0.40 -4.85 114.28 113.65 2k25 n THR 15 Ca -0.19 -0.51 -0.07 0.00 -2.27 0.00 0.00 64.05 61.00 2k25 n THR 15 Cb 0.49 -1.36 0.02 0.00 -2.10 0.00 0.00 70.33 67.37 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 0.20 0.03 3.22 3.38 -1.88 -3.25 115.31 117.01 2k25 h LEU 16 Ca -0.31 -0.15 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 2k25 h LEU 16 Cb 0.91 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2k25 h LEU 16 CO 0.21 0.94 -1.28 0.00 0.09 0.00 0.00 178.44 178.39 2k25 h THR 17 N 0.09 1.39 0.00 0.22 1.03 -1.98 -3.48 112.91 110.18 2k25 h THR 17 Ca -0.03 -3.11 0.00 0.00 -0.01 0.00 0.00 66.41 63.26 2k25 h THR 17 Cb 1.44 2.74 0.00 0.00 -1.07 0.00 0.00 68.15 71.26 2k25 h THR 17 CO 0.12 0.83 0.00 0.61 -0.01 0.00 0.00 175.52 177.07 2k25 n GLY 18 N 1.47 0.75 3.75 2.99 0.00 -1.23 -5.13 105.19 107.80 2k25 n GLY 18 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 2.85 -0.08 1.61 -0.14 -1.26 -4.64 119.74 118.08 2k25 s LYS 19 Ca 0.00 1.90 0.05 0.00 -1.36 0.00 0.00 55.97 56.55 2k25 s LYS 19 Cb 0.00 -1.90 -0.01 0.00 -1.68 0.00 0.00 37.83 34.24 2k25 s LYS 19 CO 0.00 -1.32 -0.23 0.95 -0.76 0.00 0.00 175.35 173.99 2k25 s THR 20 N -1.54 2.18 -0.05 2.17 -4.23 -1.26 -1.27 115.64 111.64 2k25 s THR 20 Ca 0.79 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 2k25 s THR 20 Cb -0.32 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2k25 s THR 20 CO 0.35 0.56 -0.10 0.27 -0.54 0.00 0.00 174.62 175.16 2k25 s ILE 21 N 0.01 0.95 -0.22 2.99 -0.00 -1.23 -4.94 121.20 118.75 2k25 s ILE 21 Ca -0.08 -0.38 -0.29 0.00 -0.00 0.00 0.00 60.65 59.90 2k25 s ILE 21 Cb -0.15 -0.88 0.01 0.00 -0.00 0.00 0.00 42.46 41.44 2k25 s ILE 21 CO 0.05 0.31 1.02 -0.89 -0.00 0.00 0.00 174.94 175.43 2k25 s THR 22 N 0.64 4.70 0.26 8.37 2.01 -1.26 -3.99 115.64 126.36 2k25 s THR 22 Ca -0.12 1.98 0.11 0.00 0.31 0.00 0.00 61.69 63.97 2k25 s THR 22 Cb -0.14 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 2k25 s THR 22 CO 0.02 -0.16 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.92 2k25 s LEU 23 N 3.10 2.85 0.12 4.42 1.43 -1.26 -4.44 118.68 124.90 2k25 s LEU 23 Ca 0.43 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2k25 s LEU 23 Cb -0.15 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2k25 s LEU 23 CO 0.07 0.04 0.36 -1.83 0.23 0.00 0.00 176.35 175.21 2k25 s GLU 24 N -3.43 3.61 -0.04 1.70 -1.05 -1.26 -1.96 118.70 116.27 2k25 s GLU 24 Ca 0.29 -0.11 -0.08 0.00 -0.15 0.00 0.00 54.97 54.92 2k25 s GLU 24 Cb -0.06 -2.89 0.01 0.00 -0.44 0.00 0.00 34.13 30.76 2k25 s GLU 24 CO 0.16 0.49 0.20 0.14 0.95 0.00 0.00 175.26 177.21 2k25 s VAL 25 N -1.61 0.04 0.00 1.83 -7.23 -1.26 -4.80 120.40 107.37 2k25 s VAL 25 Ca 0.39 -0.35 -0.28 0.00 -1.81 0.00 0.00 61.98 59.94 2k25 s VAL 25 Cb -0.12 -0.40 0.09 0.00 0.56 0.00 0.00 36.38 36.51 2k25 s VAL 25 CO 0.24 -0.19 0.80 -1.61 -0.31 0.00 0.00 175.10 174.03 2k25 s GLU 26 N -0.70 0.93 0.51 4.82 2.02 -1.26 -4.95 118.70 120.07 2k25 s GLU 26 Ca -0.08 -0.17 0.29 0.00 0.02 0.00 0.00 54.97 55.03 2k25 s GLU 26 Cb -0.04 0.43 1.23 0.00 0.10 0.00 0.00 34.13 35.85 2k25 s GLU 26 CO 0.01 -0.37 1.94 -1.00 0.02 0.00 0.00 175.26 175.86 2k25 h PRO 27 N 2.26 0.00 0.00 0.39 0.13 -1.97 -3.04 132.00 129.77 2k25 h PRO 27 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k25 h PRO 27 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k25 h PRO 27 CO 0.34 0.11 -1.01 0.43 -0.23 0.00 0.00 178.00 177.64 2k25 n SER 28 N -3.28 1.37 -4.80 1.44 7.64 -1.26 -2.12 113.62 112.60 2k25 n SER 28 Ca -0.00 -0.41 -0.37 0.00 1.01 0.00 0.00 58.87 59.10 2k25 n SER 28 Cb 0.34 1.25 -0.07 0.00 -1.01 0.00 0.00 64.21 64.73 2k25 n SER 28 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k25 s ASP 29 N -2.68 6.47 0.45 6.43 1.01 -1.15 -4.90 116.67 122.30 2k25 s ASP 29 Ca 0.00 0.55 0.07 0.00 0.71 0.00 0.00 52.55 53.88 2k25 s ASP 29 Cb 0.08 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.85 2k25 s ASP 29 CO 0.48 0.26 0.33 0.28 0.21 0.00 0.00 175.17 176.73 2k25 s THR 30 N -0.37 2.25 0.57 -1.27 -1.32 -1.26 -4.11 115.64 110.13 2k25 s THR 30 Ca 0.16 -1.49 0.29 0.00 -1.21 0.00 0.00 61.69 59.45 2k25 s THR 30 Cb -0.13 -2.74 0.41 0.00 -1.51 0.00 0.00 72.50 68.53 2k25 s THR 30 CO 0.05 0.00 1.90 0.40 -2.21 0.00 0.00 174.62 174.76 2k25 h ILE 31 N 1.05 0.45 -0.15 5.08 1.08 -1.95 -1.56 117.51 121.51 2k25 h ILE 31 Ca -0.40 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2k25 h ILE 31 Cb 1.27 0.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.57 2k25 h ILE 31 CO 0.61 0.00 -0.29 -0.08 -0.69 0.00 0.00 178.15 177.70 2k25 h GLU 32 N 0.00 -0.33 0.00 2.37 4.81 -1.95 0.29 114.58 119.76 2k25 h GLU 32 Ca 0.28 0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 2k25 h GLU 32 Cb 1.31 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 2k25 h GLU 32 CO -0.00 -0.22 -0.78 -0.97 -0.73 0.00 0.00 179.01 176.31 2k25 h ASN 33 N -0.35 0.00 -0.04 1.04 -0.73 -1.71 -3.22 115.58 110.58 2k25 h ASN 33 Ca 0.11 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 2k25 h ASN 33 Cb 0.51 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 2k25 h ASN 33 CO -0.35 0.78 -0.15 0.58 -0.37 0.00 0.00 177.43 177.92 2k25 h VAL 34 N 0.00 1.22 -0.69 2.57 2.07 -0.71 -2.52 116.25 118.19 2k25 h VAL 34 Ca -0.01 -0.96 0.20 0.00 0.82 0.00 0.00 66.70 66.75 2k25 h VAL 34 Cb 1.49 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 2k25 h VAL 34 CO 0.10 0.31 0.57 0.07 0.02 0.00 0.00 177.57 178.64 2k25 h LYS 35 N 0.34 0.00 -0.08 1.57 2.10 -0.46 -0.13 116.57 119.91 2k25 h LYS 35 Ca 0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.70 2k25 h LYS 35 Cb 0.47 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2k25 h LYS 35 CO 0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 177.46 2k25 h ALA 36 N 1.50 0.11 -0.08 0.07 0.00 -1.64 0.27 119.26 119.49 2k25 h ALA 36 Ca 0.33 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2k25 h ALA 36 Cb 1.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2k25 h ALA 36 CO -0.00 -0.17 -0.05 0.87 0.00 0.00 0.00 179.25 179.90 2k25 h LYS 37 N -0.19 -0.05 -0.27 0.00 1.79 -1.16 -2.55 116.57 114.14 2k25 h LYS 37 Ca 0.02 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 2k25 h LYS 37 Cb 0.43 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2k25 h LYS 37 CO 0.01 -0.03 -0.35 0.97 -1.08 0.00 0.00 179.45 178.97 2k25 h ILE 38 N -0.05 1.29 -0.92 1.86 6.09 -1.50 -2.94 117.51 121.35 2k25 h ILE 38 Ca 0.05 -1.48 0.21 0.00 -1.37 0.00 0.00 64.86 62.27 2k25 h ILE 38 Cb 0.12 1.46 -0.07 0.00 0.47 0.00 0.00 36.82 38.80 2k25 h ILE 38 CO -0.11 0.47 0.61 -0.61 -3.07 0.00 0.00 178.15 175.44 2k25 h GLN 39 N 0.50 0.36 0.00 2.19 4.15 -0.06 0.43 115.11 122.68 2k25 h GLN 39 Ca 0.05 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.32 2k25 h GLN 39 Cb 0.84 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 2k25 h GLN 39 CO 0.07 0.24 -0.64 0.22 -1.93 0.00 0.00 178.83 176.78 2k25 h ASP 40 N 0.37 0.00 0.37 -0.69 3.58 -1.31 -1.13 116.42 117.60 2k25 h ASP 40 Ca 0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.91 2k25 h ASP 40 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2k25 h ASP 40 CO -0.17 0.64 -0.18 0.11 -2.88 0.00 0.00 179.24 176.77 2k25 h LYS 41 N 0.00 -0.48 0.00 0.28 6.56 -0.19 -3.44 116.57 119.31 2k25 h LYS 41 Ca -0.01 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 2k25 h LYS 41 Cb 1.34 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.11 2k25 h LYS 41 CO 0.08 -0.20 -0.62 -0.85 -2.06 0.00 0.00 179.45 175.80 2k25 n GLU 42 N -5.12 1.27 -0.01 3.15 0.28 -0.57 -4.78 120.64 114.86 2k25 n GLU 42 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2k25 n GLU 42 Cb 0.25 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.31 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k25 n GLY 43 N 2.39 0.99 3.69 -1.84 0.00 -0.43 -4.93 105.19 105.06 2k25 n GLY 43 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.75 0.32 -0.61 1.09 -1.26 -4.89 121.20 117.60 2k25 s ILE 44 Ca 0.00 1.13 -0.29 0.00 -1.10 0.00 0.00 60.65 60.40 2k25 s ILE 44 Cb 0.00 -3.73 -0.10 0.00 -1.06 0.00 0.00 42.46 37.57 2k25 s ILE 44 CO 0.00 0.00 1.22 -2.16 -0.10 0.00 0.00 174.94 173.90 2k25 s PRO 45 N 2.34 4.42 0.16 2.79 0.04 -1.26 -4.65 135.00 138.85 2k25 s PRO 45 Ca 0.63 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.63 2k25 s PRO 45 Cb -0.31 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2k25 s PRO 45 CO 0.26 -0.06 1.50 -1.00 0.04 0.00 0.00 177.00 177.74 2k25 h PRO 46 N 3.46 0.85 0.00 0.56 0.13 -1.93 0.50 132.00 135.56 2k25 h PRO 46 Ca -0.48 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 2k25 h PRO 46 Cb 1.22 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k25 h PRO 46 CO 0.66 1.08 0.00 -0.44 -0.23 0.00 0.00 178.00 179.07 2k25 h ASP 47 N 0.69 0.00 0.00 1.44 3.32 -1.99 -2.03 116.42 117.85 2k25 h ASP 47 Ca 0.06 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 2k25 h ASP 47 Cb 0.96 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 2k25 h ASP 47 CO 0.09 0.00 -1.77 0.00 -1.72 0.00 0.00 179.24 175.84 2k25 n GLN 48 N -2.88 1.44 -2.72 3.56 1.13 -1.08 -4.98 117.38 111.84 2k25 n GLN 48 Ca -0.03 -0.05 -0.40 0.00 -1.94 0.00 0.00 57.00 54.59 2k25 n GLN 48 Cb 0.07 -1.32 -0.05 0.00 0.11 0.00 0.00 30.24 29.04 2k25 n GLN 48 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2k25 s GLN 49 N -2.51 4.80 0.09 -1.09 -2.07 0.14 -4.83 119.66 114.19 2k25 s GLN 49 Ca -0.06 1.51 -0.13 0.00 -1.82 0.00 0.00 55.36 54.87 2k25 s GLN 49 Cb 0.05 -3.29 -0.06 0.00 -1.09 0.00 0.00 33.01 28.62 2k25 s GLN 49 CO 0.52 0.42 0.47 1.03 -1.32 0.00 0.00 175.29 176.41 2k25 s ARG 50 N -0.92 3.89 -0.15 9.60 0.52 -1.26 -4.84 118.95 125.79 2k25 s ARG 50 Ca 0.43 0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 55.84 2k25 s ARG 50 Cb -0.26 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2k25 s ARG 50 CO 0.32 0.56 0.38 -1.17 0.02 0.00 0.00 175.30 175.41 2k25 s LEU 51 N -1.74 4.24 -0.12 2.53 2.96 -1.26 -4.03 118.68 121.25 2k25 s LEU 51 Ca 0.33 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 2k25 s LEU 51 Cb -0.15 -2.52 0.03 0.00 0.50 0.00 0.00 46.19 44.05 2k25 s LEU 51 CO 0.18 0.02 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.56 2k25 s ILE 52 N 0.71 0.84 -0.12 6.68 1.09 -1.07 -1.09 121.20 128.23 2k25 s ILE 52 Ca 0.20 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.51 2k25 s ILE 52 Cb -0.14 -0.96 0.01 0.00 -1.06 0.00 0.00 42.46 40.32 2k25 s ILE 52 CO 0.07 0.25 -0.17 0.12 -0.10 0.00 0.00 174.94 175.11 2k25 s PHE 53 N 1.77 2.18 -1.41 3.97 5.36 0.98 -1.94 117.98 128.90 2k25 s PHE 53 Ca 0.04 -1.08 -0.00 0.00 -0.96 0.00 0.00 56.93 54.92 2k25 s PHE 53 Cb -0.13 -1.55 0.00 0.00 -0.34 0.00 0.00 43.02 41.00 2k25 s PHE 53 CO -0.07 -0.54 0.04 0.00 -1.46 0.00 0.00 175.22 173.18 2k25 n ALA 54 N 4.24 -0.72 0.00 11.12 0.00 -1.26 -0.10 120.51 133.79 2k25 n ALA 54 Ca -0.19 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k25 n ALA 54 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.94 2.50 3.66 0.00 0.00 -1.26 -5.01 105.19 104.14 2k25 n GLY 55 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.39 4.09 0.44 1.61 2.20 0.86 -5.06 119.74 123.48 2k25 s LYS 56 Ca 0.00 -0.16 -0.21 0.00 -0.36 0.00 0.00 55.97 55.25 2k25 s LYS 56 Cb 0.00 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 2k25 s LYS 56 CO 0.00 0.01 0.96 1.14 -0.36 0.00 0.00 175.35 177.10 2k25 s GLN 57 N 1.18 4.19 0.00 4.03 -2.07 -1.26 -0.01 119.66 125.72 2k25 s GLN 57 Ca 0.10 1.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.77 2k25 s GLN 57 Cb -0.14 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.61 2k25 s GLN 57 CO 0.06 -0.06 0.00 1.28 -1.32 0.00 0.00 175.29 175.24 2k25 n LEU 58 N -0.70 0.00 0.00 2.60 4.32 -0.25 -4.91 117.00 118.06 2k25 n LEU 58 Ca 0.07 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.92 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 0.38 0.00 0.02 -1.84 -1.22 0.00 0.00 177.39 174.72 2k25 n GLU 59 N 0.00 1.11 -4.08 3.23 0.28 -1.26 -4.12 120.64 115.80 2k25 n GLU 59 Ca 0.00 -1.76 -0.13 0.00 -0.16 0.00 0.00 57.16 55.11 2k25 n GLU 59 Cb 0.00 0.22 -0.11 0.00 1.43 0.00 0.00 31.44 32.98 2k25 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2k25 s ASP 60 N -2.61 0.90 0.00 -1.84 2.15 -1.26 -4.93 116.67 109.08 2k25 s ASP 60 Ca 0.14 -0.61 0.00 0.00 0.43 0.00 0.00 52.55 52.51 2k25 s ASP 60 Cb -0.01 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 2k25 s ASP 60 CO 0.09 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2k25 n GLY 61 N 1.27 0.39 3.40 2.66 0.00 -1.26 -5.12 105.19 106.53 2k25 n GLY 61 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2k25 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k25 s ARG 62 N 0.00 1.53 0.79 1.61 3.00 -1.26 -5.07 118.95 119.55 2k25 s ARG 62 Ca 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 55.73 53.81 2k25 s ARG 62 Cb 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 34.95 34.27 2k25 s ARG 62 CO 0.00 -0.14 1.13 0.95 0.00 0.00 0.00 175.30 177.23 2k25 s THR 63 N -3.34 2.11 0.09 0.02 -4.23 -1.26 -4.66 115.64 104.37 2k25 s THR 63 Ca 0.34 -0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.58 2k25 s THR 63 Cb 0.07 -2.98 -0.15 0.00 1.34 0.00 0.00 72.50 70.79 2k25 s THR 63 CO 0.13 0.00 1.31 -0.07 -0.54 0.00 0.00 174.62 175.45 2k25 h LEU 64 N -0.94 0.88 -0.88 4.79 3.38 -1.73 -3.17 115.31 117.64 2k25 h LEU 64 Ca -0.45 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 56.82 2k25 h LEU 64 Cb 1.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2k25 h LEU 64 CO 0.59 1.34 -0.26 -1.28 0.09 0.00 0.00 178.44 178.92 2k25 h SER 65 N 0.48 0.53 0.15 -0.43 0.87 -1.68 0.28 113.55 113.75 2k25 h SER 65 Ca -0.03 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 2k25 h SER 65 Cb 1.28 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2k25 h SER 65 CO 0.14 0.78 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.82 2k25 h GLU 66 N 0.46 0.00 -0.01 2.24 4.39 -1.74 -2.01 114.58 117.91 2k25 h GLU 66 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2k25 h GLU 66 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2k25 h GLU 66 CO 0.05 0.07 -0.43 0.66 -1.16 0.00 0.00 179.01 178.20 2k25 n TYR 67 N -3.96 0.00 -3.37 4.33 4.01 -0.97 -5.00 117.16 112.20 2k25 n TYR 67 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 2k25 n TYR 67 Cb 0.16 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.26 2k25 n TYR 67 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k25 n ASN 68 N -0.69 -4.71 -4.65 7.72 4.13 0.84 -5.02 115.26 112.88 2k25 n ASN 68 Ca 0.04 -0.48 -0.23 0.00 1.68 0.00 0.00 54.58 55.59 2k25 n ASN 68 Cb 0.25 -4.38 -0.07 0.00 -1.54 0.00 0.00 39.78 34.03 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 -3.28 3.44 -0.94 2.41 -4.36 -0.29 -5.01 121.20 113.17 2k25 s ILE 69 Ca 0.36 -1.90 -0.01 0.00 -0.26 0.00 0.00 60.65 58.84 2k25 s ILE 69 Cb -0.16 -2.86 0.33 0.00 1.25 0.00 0.00 42.46 41.03 2k25 s ILE 69 CO 0.62 -0.37 1.89 0.00 0.24 0.00 0.00 174.94 177.33 2k25 n GLN 70 N -0.91 4.27 0.00 0.37 10.64 -1.26 -4.61 117.38 125.89 2k25 n GLN 70 Ca -0.06 -4.19 0.13 0.00 -1.83 0.00 0.00 57.00 51.05 2k25 n GLN 70 Cb 0.59 -2.38 0.70 0.00 -0.86 0.00 0.00 30.24 28.29 2k25 n GLN 70 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2k25 n LYS 71 N -0.27 0.51 -0.98 2.61 5.02 -1.26 -3.39 118.16 120.40 2k25 n LYS 71 Ca 0.50 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.61 2k25 n LYS 71 Cb 0.25 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.86 2k25 n LYS 71 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k25 n GLU 72 N -1.20 2.04 0.00 1.97 2.13 -1.26 -4.51 120.64 119.81 2k25 n GLU 72 Ca 0.15 -2.25 0.00 0.00 0.66 0.00 0.00 57.16 55.72 2k25 n GLU 72 Cb 0.17 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.00 2k25 n GLU 72 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k25 n SER 73 N -0.47 0.00 -3.72 4.31 7.64 -1.22 -5.00 113.62 115.16 2k25 n SER 73 Ca 0.44 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 60.04 2k25 n SER 73 Cb 1.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 64.03 2k25 n SER 73 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2k25 s THR 74 N -0.21 0.49 0.09 0.44 2.01 -1.26 -4.34 115.64 112.85 2k25 s THR 74 Ca 0.00 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2k25 s THR 74 Cb 0.00 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 2k25 s THR 74 CO 0.00 -0.27 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.78 2k25 s LEU 75 N 1.86 2.34 -0.22 4.42 2.01 -1.21 -4.24 118.68 123.65 2k25 s LEU 75 Ca 0.00 -0.71 -0.03 0.00 0.01 0.00 0.00 54.13 53.40 2k25 s LEU 75 Cb -0.17 -0.42 0.07 0.00 0.01 0.00 0.00 46.19 45.68 2k25 s LEU 75 CO -0.10 -0.16 0.07 -2.28 1.01 0.00 0.00 176.35 174.88 2k25 s HIS 76 N -1.84 0.90 -0.37 0.29 5.65 -0.82 -3.94 115.29 115.17 2k25 s HIS 76 Ca 0.02 -0.91 0.00 0.00 0.25 0.00 0.00 55.06 54.42 2k25 s HIS 76 Cb -0.07 -1.06 0.12 0.00 -1.18 0.00 0.00 32.58 30.39 2k25 s HIS 76 CO 0.02 -0.66 0.17 -0.48 -0.65 0.00 0.00 174.74 173.13 2k25 s LEU 77 N 1.90 2.16 -0.13 8.88 2.34 -1.26 -2.59 118.68 129.98 2k25 s LEU 77 Ca 0.02 -2.10 -0.08 0.00 0.06 0.00 0.00 54.13 52.03 2k25 s LEU 77 Cb -0.17 -0.84 0.04 0.00 -0.56 0.00 0.00 46.19 44.66 2k25 s LEU 77 CO -0.15 -0.34 0.32 -0.69 -1.06 0.00 0.00 176.35 174.43 2k25 s VAL 78 N 1.05 -0.02 -0.29 1.48 1.01 -1.26 -4.85 120.40 117.53 2k25 s VAL 78 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 2k25 s VAL 78 Cb -0.21 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 35.75 2k25 s VAL 78 CO -0.11 0.03 -0.03 -0.22 0.00 0.00 0.00 175.10 174.77 2k25 s LEU 79 N 0.91 3.72 -0.77 3.92 2.96 -1.26 -4.70 118.68 123.45 2k25 s LEU 79 Ca -0.06 -1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 52.59 2k25 s LEU 79 Cb -0.07 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2k25 s LEU 79 CO -0.07 -0.23 0.63 -1.14 -1.32 0.00 0.00 176.35 174.22 2k25 n ARG 80 N 4.60 -1.54 -0.71 1.98 0.63 -1.26 -4.88 116.66 115.48 2k25 n ARG 80 Ca -0.14 0.99 -0.33 0.00 -0.92 0.00 0.00 57.85 57.45 2k25 n ARG 80 Cb 0.44 -3.08 0.16 0.00 0.45 0.00 0.00 32.46 30.43 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 -2.23 -2.31 -3.25 6.15 -0.00 -1.26 -5.04 117.00 109.05 2k25 n LEU 81 Ca -0.23 -0.09 0.03 0.00 -0.00 0.00 0.00 56.01 55.72 2k25 n LEU 81 Cb 0.65 -0.93 -0.03 0.00 -0.00 0.00 0.00 43.42 43.11 2k25 n LEU 81 CO 0.61 -3.08 0.70 -0.60 -0.00 0.00 0.00 177.39 175.02 2k25 s ARG 82 N -3.32 0.17 0.00 1.47 6.06 -1.26 -5.09 118.95 116.99 2k25 s ARG 82 Ca 0.54 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 54.17 2k25 s ARG 82 Cb -0.10 0.24 0.00 0.00 0.06 0.00 0.00 34.95 35.14 2k25 s ARG 82 CO 0.66 -0.10 0.00 0.41 -2.50 0.00 0.00 175.30 173.77 2k25 n GLY 83 N 5.00 0.36 2.60 8.12 0.00 -1.26 -4.88 105.19 115.13 2k25 n GLY 83 Ca -0.08 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.32 2k25 n GLY 83 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2k25 n TYR 84 N 1.19 -1.92 -2.71 1.61 4.11 -1.26 -5.13 117.16 113.06 2k25 n TYR 84 Ca 0.00 -1.31 -0.43 0.00 -0.00 0.00 0.00 57.90 56.16 2k25 n TYR 84 Cb 0.00 0.63 -0.03 0.00 -0.00 0.00 0.00 39.34 39.95 2k25 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k25 s ALA 85 N -1.78 3.41 0.19 -3.48 0.00 -1.26 -4.89 121.76 113.95 2k25 s ALA 85 Ca 0.11 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.55 2k25 s ALA 85 Cb -0.03 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.50 2k25 s ALA 85 CO 0.09 -1.64 0.90 0.34 0.00 0.00 0.00 175.76 175.45 2k25 s ASP 86 N 1.86 -0.19 0.37 0.00 2.15 -1.26 -4.75 116.67 114.86 2k25 s ASP 86 Ca 0.42 -0.49 0.08 0.00 0.43 0.00 0.00 52.55 52.99 2k25 s ASP 86 Cb -0.11 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.03 2k25 s ASP 86 CO 0.19 -1.04 0.22 -0.76 -0.17 0.00 0.00 175.17 173.60 2k25 s LEU 87 N -2.96 3.29 -0.07 -1.34 1.43 -1.26 -4.82 118.68 112.95 2k25 s LEU 87 Ca 0.12 -0.82 -0.32 0.00 -1.03 0.00 0.00 54.13 52.09 2k25 s LEU 87 Cb -0.03 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.55 2k25 s LEU 87 CO 0.04 -0.44 1.36 -0.60 0.23 0.00 0.00 176.35 176.94 2k25 s ARG 88 N -3.93 0.21 -0.57 1.70 6.06 -1.26 -5.06 118.95 116.10 2k25 s ARG 88 Ca 0.41 -0.12 -0.26 0.00 -2.50 0.00 0.00 55.73 53.26 2k25 s ARG 88 Cb -0.01 0.07 -0.09 0.00 0.06 0.00 0.00 34.95 34.98 2k25 s ARG 88 CO 0.24 -0.10 2.44 0.39 -2.50 0.00 0.00 175.30 175.77 2k25 n GLU 89 N -0.47 0.89 -0.92 5.12 1.02 -1.26 -4.91 120.64 120.11 2k25 n GLU 89 Ca -0.09 -0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 56.61 2k25 n GLU 89 Cb 0.63 -3.29 0.11 0.00 -0.02 0.00 0.00 31.44 28.86 2k25 n GLU 89 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2k25 n ASP 90 N 15.73 -1.90 -0.10 1.62 5.68 -1.26 -4.92 116.55 131.41 2k25 n ASP 90 Ca 0.41 0.40 -0.12 0.00 -0.50 0.00 0.00 54.79 54.97 2k25 n ASP 90 Cb 0.49 -1.20 -0.00 0.00 -1.14 0.00 0.00 41.12 39.26 2k25 n ASP 90 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2k25 h PRO 91 N -1.24 0.88 -1.62 0.11 0.13 -1.91 -3.46 132.00 124.89 2k25 h PRO 91 Ca -0.44 -0.47 0.06 0.00 -0.87 0.00 0.00 66.00 64.28 2k25 h PRO 91 Cb 1.30 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.19 2k25 h PRO 91 CO 0.36 1.12 0.42 -0.51 -0.23 0.00 0.00 178.00 179.15 2k25 s ASP 92 N -6.86 -0.49 1.14 1.44 1.01 -1.26 -5.15 116.67 106.51 2k25 s ASP 92 Ca -0.10 0.90 -0.07 0.00 0.71 0.00 0.00 52.55 53.99 2k25 s ASP 92 Cb 0.11 0.97 0.11 0.00 1.01 0.00 0.00 42.92 45.13 2k25 s ASP 92 CO 0.87 -0.15 0.26 0.54 0.21 0.00 0.00 175.17 176.90 2k25 n ARG 93 N 2.54 -2.84 -3.25 8.23 5.12 -1.26 -4.81 116.66 120.39 2k25 n ARG 93 Ca -0.14 -0.43 -0.12 0.00 -1.93 0.00 0.00 57.85 55.23 2k25 n ARG 93 Cb 0.56 -0.56 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 2k25 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k25 n GLN 94 N -3.12 0.38 -4.73 5.56 -0.00 -1.26 -5.05 117.38 109.16 2k25 n GLN 94 Ca 0.04 -1.85 -0.32 0.00 -0.00 0.00 0.00 57.00 54.87 2k25 n GLN 94 Cb 0.18 1.36 -0.08 0.00 -0.00 0.00 0.00 30.24 31.70 2k25 n GLN 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2k25 s ASP 95 N -2.31 3.97 0.17 2.61 1.11 -1.26 -5.17 116.67 115.79 2k25 s ASP 95 Ca 0.19 -1.64 0.03 0.00 0.18 0.00 0.00 52.55 51.31 2k25 s ASP 95 Cb 0.01 0.47 -0.01 0.00 1.07 0.00 0.00 42.92 44.46 2k25 s ASP 95 CO 0.13 -0.84 0.11 0.00 1.18 0.00 0.00 175.17 175.76 2k25 n HIS 96 N -1.21 -0.23 -3.76 4.23 1.44 -1.26 -5.01 115.22 109.42 2k25 n HIS 96 Ca -0.17 -1.28 -0.11 0.00 -2.01 0.00 0.00 57.72 54.15 2k25 n HIS 96 Cb 0.67 0.09 -0.07 0.00 0.12 0.00 0.00 29.99 30.80 2k25 n HIS 96 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k25 s HIS 97 N -2.51 -0.07 0.85 -1.40 -3.43 -1.26 -5.18 115.29 102.30 2k25 s HIS 97 Ca 0.16 -0.17 -0.14 0.00 -0.80 0.00 0.00 55.06 54.11 2k25 s HIS 97 Cb 0.01 0.09 0.21 0.00 -1.43 0.00 0.00 32.58 31.46 2k25 s HIS 97 CO 0.11 -0.55 0.76 -0.35 -2.00 0.00 0.00 174.74 172.71 2k25 n PRO 98 N 0.30 -2.50 -3.61 -0.38 -0.04 -1.26 -5.10 135.00 122.41 2k25 n PRO 98 Ca -0.17 -1.21 -0.09 0.00 -0.04 0.00 0.00 63.50 61.99 2k25 n PRO 98 Cb 0.61 -1.13 -0.02 0.00 -0.04 0.00 0.00 33.50 32.91 2k25 n PRO 98 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k25 s GLY 99 N -3.85 -0.39 0.28 0.55 0.00 -1.26 -5.19 107.32 97.46 2k25 s GLY 99 Ca 0.49 0.22 -0.15 0.00 0.00 0.00 0.00 44.72 45.28 2k25 s GLY 99 CO 0.38 0.07 0.59 -0.45 0.00 0.00 0.00 173.10 173.70 2k25 s SER 100 N -2.80 -0.06 -0.04 1.64 0.15 -1.26 -5.19 113.70 106.14 2k25 s SER 100 Ca 0.06 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 55.67 2k25 s SER 100 Cb -0.03 0.67 0.05 0.00 -1.71 0.00 0.00 66.02 65.00 2k25 s SER 100 CO -0.04 -1.29 0.67 0.61 1.20 0.00 0.00 173.24 174.39 2k25 n GLY 101 N -0.44 0.27 2.69 9.45 0.00 -1.26 -5.19 105.19 110.71 2k25 n GLY 101 Ca -0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.01 -1.88 1.80 4.61 0.00 -1.26 -5.40 120.51 116.37 2k25 n ALA 102 Ca -0.05 -0.72 0.15 0.00 0.00 0.00 0.00 53.44 52.82 2k25 n ALA 102 Cb 0.28 0.40 0.78 0.00 0.00 0.00 0.00 19.45 20.92 2k25 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50