#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k25 s SER 2 N 0.00 3.63 -0.16 1.61 0.01 -1.26 -4.75 113.70 112.78 2k25 s SER 2 Ca 0.00 -2.25 -0.14 0.00 1.31 0.00 0.00 55.95 54.87 2k25 s SER 2 Cb 0.00 -0.86 -0.05 0.00 0.21 0.00 0.00 66.02 65.32 2k25 s SER 2 CO 0.00 -0.32 0.30 -0.22 0.41 0.00 0.00 173.24 173.41 2k25 s LEU 3 N 0.87 4.24 0.20 2.44 1.98 -1.26 -5.00 118.68 122.14 2k25 s LEU 3 Ca 0.15 0.51 0.10 0.00 -2.89 0.00 0.00 54.13 52.01 2k25 s LEU 3 Cb -0.22 -2.39 -0.04 0.00 0.66 0.00 0.00 46.19 44.20 2k25 s LEU 3 CO -0.07 0.09 -0.20 0.68 -1.89 0.00 0.00 176.35 174.96 2k25 s VAL 4 N 0.51 2.11 1.01 1.68 -7.23 -1.26 -5.05 120.40 112.18 2k25 s VAL 4 Ca 0.17 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 2k25 s VAL 4 Cb -0.13 -2.05 0.20 0.00 0.56 0.00 0.00 36.38 34.96 2k25 s VAL 4 CO 0.04 -0.30 1.09 -2.16 -0.31 0.00 0.00 175.10 173.46 2k25 s PRO 5 N -2.99 0.30 -0.24 4.82 0.04 -1.26 -5.09 135.00 130.58 2k25 s PRO 5 Ca 0.21 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 2k25 s PRO 5 Cb -0.06 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.92 2k25 s PRO 5 CO 0.09 -2.81 1.22 0.50 0.04 0.00 0.00 177.00 176.04 2k25 s ARG 6 N -4.96 0.27 0.00 4.56 3.52 -1.26 -5.19 118.95 115.89 2k25 s ARG 6 Ca 0.66 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 2k25 s ARG 6 Cb -0.19 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 2k25 s ARG 6 CO 0.58 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.40 2k25 n GLY 7 N 0.79 2.94 0.02 8.12 0.00 -1.26 -4.98 105.19 110.82 2k25 n GLY 7 Ca -0.05 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 0.37 -4.33 1.61 7.64 -1.26 -4.90 113.62 112.74 2k25 n SER 8 Ca 0.00 -0.26 -0.32 0.00 1.01 0.00 0.00 58.87 59.30 2k25 n SER 8 Cb 0.00 1.53 -0.15 0.00 -1.01 0.00 0.00 64.21 64.58 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 -3.34 2.81 0.04 1.43 -1.94 -1.26 -5.03 119.30 112.00 2k25 s MET 9 Ca -0.02 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.21 2k25 s MET 9 Cb 0.14 -2.34 -0.02 0.00 2.01 0.00 0.00 34.83 34.63 2k25 s MET 9 CO 0.88 0.36 -0.16 -0.65 -0.01 0.00 0.00 175.02 175.44 2k25 s GLN 10 N -0.09 1.11 0.25 2.03 -0.21 -1.25 -4.21 119.66 117.29 2k25 s GLN 10 Ca -0.04 -0.79 -0.07 0.00 0.02 0.00 0.00 55.36 54.47 2k25 s GLN 10 Cb -0.14 -1.16 -0.02 0.00 1.00 0.00 0.00 33.01 32.70 2k25 s GLN 10 CO 0.04 0.29 0.36 -1.50 -2.12 0.00 0.00 175.29 172.37 2k25 s ILE 11 N -0.78 0.00 -0.21 1.08 2.07 -0.27 -4.85 121.20 118.25 2k25 s ILE 11 Ca 0.04 -1.63 -0.06 0.00 -1.41 0.00 0.00 60.65 57.59 2k25 s ILE 11 Cb -0.08 -2.36 -0.03 0.00 0.13 0.00 0.00 42.46 40.12 2k25 s ILE 11 CO 0.01 0.00 0.03 -0.36 -1.91 0.00 0.00 174.94 172.71 2k25 s PHE 12 N -3.92 3.09 -0.04 3.50 0.40 -1.26 -3.91 117.98 115.83 2k25 s PHE 12 Ca 0.29 -0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2k25 s PHE 12 Cb 0.02 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.43 2k25 s PHE 12 CO 0.12 -0.19 -0.11 0.08 0.70 0.00 0.00 175.22 175.81 2k25 s VAL 13 N 1.03 0.99 -0.19 -0.44 1.01 -1.23 -3.12 120.40 118.44 2k25 s VAL 13 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2k25 s VAL 13 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2k25 s VAL 13 CO 0.02 0.31 -0.18 -0.54 0.00 0.00 0.00 175.10 174.71 2k25 s LYS 14 N 0.35 2.91 0.90 2.72 -0.14 -1.26 -3.42 119.74 121.80 2k25 s LYS 14 Ca -0.07 -0.89 -0.15 0.00 -1.36 0.00 0.00 55.97 53.50 2k25 s LYS 14 Cb -0.12 -2.63 0.21 0.00 -1.68 0.00 0.00 37.83 33.62 2k25 s LYS 14 CO 0.02 -0.26 1.11 0.25 -0.76 0.00 0.00 175.35 175.71 2k25 n THR 15 N 4.60 0.00 0.09 2.17 -2.24 -0.69 -4.72 114.28 113.49 2k25 n THR 15 Ca -0.20 -0.75 -0.09 0.00 -2.27 0.00 0.00 64.05 60.75 2k25 n THR 15 Cb 0.49 -1.49 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 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 0.21 0.03 3.22 4.07 -1.89 -3.26 115.31 117.68 2k25 h LEU 16 Ca -0.37 -0.18 -0.24 0.00 0.08 0.00 0.00 57.88 57.17 2k25 h LEU 16 Cb 1.04 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.69 2k25 h LEU 16 CO 0.26 1.02 -1.22 0.00 -1.08 0.00 0.00 178.44 177.42 2k25 h THR 17 N 0.08 1.47 0.00 0.22 1.03 -1.99 -3.48 112.91 110.25 2k25 h THR 17 Ca -0.04 -3.19 0.00 0.00 -0.01 0.00 0.00 66.41 63.17 2k25 h THR 17 Cb 1.58 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 71.42 2k25 h THR 17 CO 0.14 0.86 0.00 0.61 -0.01 0.00 0.00 175.52 177.12 2k25 n GLY 18 N 1.44 0.66 3.74 2.99 0.00 -1.23 -5.13 105.19 107.67 2k25 n GLY 18 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2k25 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k25 s LYS 19 N 0.00 2.75 -0.11 1.61 2.47 -1.26 -4.68 119.74 120.52 2k25 s LYS 19 Ca 0.00 1.96 0.04 0.00 -1.56 0.00 0.00 55.97 56.41 2k25 s LYS 19 Cb 0.00 -1.89 0.00 0.00 -1.46 0.00 0.00 37.83 34.48 2k25 s LYS 19 CO 0.00 -1.41 -0.23 0.95 0.16 0.00 0.00 175.35 174.81 2k25 s THR 20 N -1.48 2.05 -0.03 3.43 -4.23 -1.26 -1.70 115.64 112.42 2k25 s THR 20 Ca 0.80 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2k25 s THR 20 Cb -0.34 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2k25 s THR 20 CO 0.37 0.55 -0.09 0.27 -0.54 0.00 0.00 174.62 175.18 2k25 s ILE 21 N 0.48 0.79 0.21 2.99 -0.00 -1.22 -5.03 121.20 119.42 2k25 s ILE 21 Ca -0.15 -0.36 -0.30 0.00 -0.00 0.00 0.00 60.65 59.83 2k25 s ILE 21 Cb -0.17 -0.71 -0.08 0.00 -0.00 0.00 0.00 42.46 41.50 2k25 s ILE 21 CO 0.06 0.25 0.95 -0.89 -0.00 0.00 0.00 174.94 175.31 2k25 s THR 22 N 0.20 4.16 0.09 8.37 2.01 -1.26 -3.58 115.64 125.63 2k25 s THR 22 Ca -0.03 2.06 0.02 0.00 0.31 0.00 0.00 61.69 64.05 2k25 s THR 22 Cb -0.09 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2k25 s THR 22 CO 0.01 0.45 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.55 2k25 s LEU 23 N -0.88 2.47 0.10 4.42 1.02 -1.25 -4.02 118.68 120.54 2k25 s LEU 23 Ca 0.43 -0.93 0.02 0.00 0.02 0.00 0.00 54.13 53.66 2k25 s LEU 23 Cb -0.26 -0.12 -0.04 0.00 0.02 0.00 0.00 46.19 45.79 2k25 s LEU 23 CO 0.32 -0.41 0.20 -1.83 0.02 0.00 0.00 176.35 174.65 2k25 s GLU 24 N -3.46 3.29 0.01 1.70 -1.05 -1.26 -1.11 118.70 116.81 2k25 s GLU 24 Ca 0.09 -0.57 -0.01 0.00 -0.15 0.00 0.00 54.97 54.32 2k25 s GLU 24 Cb 0.02 -2.92 -0.01 0.00 -0.44 0.00 0.00 34.13 30.78 2k25 s GLU 24 CO -0.03 0.56 0.01 0.14 0.95 0.00 0.00 175.26 176.89 2k25 s VAL 25 N -1.58 0.06 -0.08 1.83 -7.23 -1.26 -4.74 120.40 107.40 2k25 s VAL 25 Ca 0.33 -0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.70 2k25 s VAL 25 Cb -0.12 -0.20 0.07 0.00 0.56 0.00 0.00 36.38 36.69 2k25 s VAL 25 CO 0.27 -0.28 0.66 -1.61 -0.31 0.00 0.00 175.10 173.82 2k25 s GLU 26 N -0.85 1.00 0.48 4.82 0.41 -1.25 -4.97 118.70 118.33 2k25 s GLU 26 Ca -0.09 0.35 0.27 0.00 -0.41 0.00 0.00 54.97 55.08 2k25 s GLU 26 Cb -0.06 0.47 1.14 0.00 -1.78 0.00 0.00 34.13 33.90 2k25 s GLU 26 CO -0.00 -0.28 1.91 -1.00 -0.49 0.00 0.00 175.26 175.40 2k25 h PRO 27 N 3.37 0.00 -0.00 0.39 0.13 -1.96 -2.98 132.00 130.95 2k25 h PRO 27 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k25 h PRO 27 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k25 h PRO 27 CO 0.34 0.16 -0.50 0.45 -0.23 0.00 0.00 178.00 178.22 2k25 n SER 28 N -3.38 0.71 -4.40 1.44 2.88 -1.26 -2.28 113.62 107.34 2k25 n SER 28 Ca -0.00 -0.86 -0.36 0.00 -1.33 0.00 0.00 58.87 56.33 2k25 n SER 28 Cb 0.36 0.90 -0.13 0.00 -0.75 0.00 0.00 64.21 64.59 2k25 n SER 28 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k25 s ASP 29 N -2.00 4.76 0.78 -3.46 1.01 -1.13 -4.95 116.67 111.69 2k25 s ASP 29 Ca 0.06 -0.27 -0.09 0.00 0.71 0.00 0.00 52.55 52.95 2k25 s ASP 29 Cb 0.09 -1.83 0.10 0.00 1.01 0.00 0.00 42.92 42.29 2k25 s ASP 29 CO 0.45 -0.01 1.11 0.42 0.21 0.00 0.00 175.17 177.35 2k25 s THR 30 N 1.43 2.15 0.62 -1.27 -4.23 -1.26 -3.92 115.64 109.15 2k25 s THR 30 Ca 0.05 -0.20 0.32 0.00 -1.18 0.00 0.00 61.69 60.67 2k25 s THR 30 Cb -0.15 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.12 2k25 s THR 30 CO 0.01 0.00 2.11 0.40 -0.54 0.00 0.00 174.62 176.59 2k25 h ILE 31 N -0.91 0.31 -0.37 2.99 1.08 -1.94 -2.30 117.51 116.37 2k25 h ILE 31 Ca -0.44 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.11 2k25 h ILE 31 Cb 1.29 0.83 -0.08 0.00 -3.07 0.00 0.00 36.82 35.79 2k25 h ILE 31 CO 0.54 0.00 -0.18 -0.08 -0.69 0.00 0.00 178.15 177.73 2k25 h GLU 32 N 0.00 -0.12 0.01 2.37 4.81 -1.97 0.01 114.58 119.70 2k25 h GLU 32 Ca 0.06 0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 2k25 h GLU 32 Cb 0.47 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2k25 h GLU 32 CO -0.00 -0.08 -0.93 -0.91 -0.73 0.00 0.00 179.01 176.36 2k25 h ASN 33 N -0.12 0.11 -0.39 1.04 2.35 -1.79 -3.22 115.58 113.55 2k25 h ASN 33 Ca 0.18 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2k25 h ASN 33 Cb 0.41 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 2k25 h ASN 33 CO -0.44 0.97 0.26 0.58 -1.65 0.00 0.00 177.43 177.15 2k25 h VAL 34 N 0.03 1.06 -0.52 2.81 2.07 -1.10 -1.33 116.25 119.27 2k25 h VAL 34 Ca -0.03 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.48 2k25 h VAL 34 Cb 1.61 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2k25 h VAL 34 CO 0.13 0.09 0.48 0.07 0.02 0.00 0.00 177.57 178.36 2k25 h LYS 35 N 0.47 0.00 -0.08 1.57 5.09 -1.04 0.31 116.57 122.89 2k25 h LYS 35 Ca 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.84 2k25 h LYS 35 Cb 0.03 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.35 2k25 h LYS 35 CO -0.04 0.00 -0.21 0.00 -2.09 0.00 0.00 179.45 177.11 2k25 h ALA 36 N 1.52 1.50 -0.01 0.07 0.00 -1.44 0.48 119.26 121.38 2k25 h ALA 36 Ca 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k25 h ALA 36 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k25 h ALA 36 CO -0.00 0.36 -0.02 -0.22 0.00 0.00 0.00 179.25 179.37 2k25 h LYS 37 N 0.13 0.03 0.00 0.00 1.63 -0.52 -3.27 116.57 114.56 2k25 h LYS 37 Ca 0.02 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 2k25 h LYS 37 Cb 0.45 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2k25 h LYS 37 CO 0.03 0.64 -0.63 0.97 -3.45 0.00 0.00 179.45 177.01 2k25 h ILE 38 N -0.58 1.40 -0.98 2.00 -0.00 -1.45 -3.17 117.51 114.72 2k25 h ILE 38 Ca -0.00 -2.22 0.19 0.00 -0.00 0.00 0.00 64.86 62.83 2k25 h ILE 38 Cb 0.64 2.22 -0.09 0.00 -0.00 0.00 0.00 36.82 39.58 2k25 h ILE 38 CO 0.00 0.62 0.61 -0.61 -0.00 0.00 0.00 178.15 178.78 2k25 h GLN 39 N 0.00 0.67 0.00 2.19 4.15 -0.09 0.40 115.11 122.43 2k25 h GLN 39 Ca -0.01 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 2k25 h GLN 39 Cb 1.17 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2k25 h GLN 39 CO 0.08 0.44 -0.49 0.22 -1.93 0.00 0.00 178.83 177.16 2k25 h ASP 40 N 0.69 0.00 0.10 -0.69 3.58 -1.61 0.34 116.42 118.83 2k25 h ASP 40 Ca 0.55 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.99 2k25 h ASP 40 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2k25 h ASP 40 CO -0.32 0.49 -0.05 0.11 -2.88 0.00 0.00 179.24 176.59 2k25 h LYS 41 N 0.00 -0.13 0.00 0.28 6.56 -0.41 -3.44 116.57 119.43 2k25 h LYS 41 Ca -0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k25 h LYS 41 Cb 1.14 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2k25 h LYS 41 CO 0.06 0.34 -0.73 0.39 -2.06 0.00 0.00 179.45 177.46 2k25 n GLU 42 N -4.83 0.74 0.00 3.15 -0.58 0.30 -4.93 120.64 114.49 2k25 n GLU 42 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2k25 n GLU 42 Cb 0.26 -0.86 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k25 n GLY 43 N 2.79 1.11 3.62 0.62 0.00 0.11 -4.87 105.19 108.57 2k25 n GLY 43 Ca 0.00 0.00 -0.43 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 4.00 0.89 -0.61 1.09 -1.26 -4.85 121.20 118.46 2k25 s ILE 44 Ca 0.00 1.11 -0.11 0.00 -1.10 0.00 0.00 60.65 60.54 2k25 s ILE 44 Cb 0.00 -4.07 0.13 0.00 -1.06 0.00 0.00 42.46 37.46 2k25 s ILE 44 CO 0.00 -0.49 1.09 -2.16 -0.10 0.00 0.00 174.94 173.28 2k25 s PRO 45 N 4.43 1.28 0.44 2.79 0.04 -1.26 -4.54 135.00 138.18 2k25 s PRO 45 Ca 0.60 0.83 0.23 0.00 0.04 0.00 0.00 61.00 62.70 2k25 s PRO 45 Cb -0.18 -1.81 0.99 0.00 0.04 0.00 0.00 34.50 33.55 2k25 s PRO 45 CO 0.26 -2.23 1.87 -1.00 0.04 0.00 0.00 177.00 175.94 2k25 h PRO 46 N -1.54 0.00 0.00 0.56 0.13 -1.91 -1.73 132.00 127.51 2k25 h PRO 46 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2k25 h PRO 46 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k25 h PRO 46 CO 0.54 0.24 -0.24 0.38 -0.23 0.00 0.00 178.00 178.69 2k25 h ASP 47 N 0.00 0.00 -0.41 1.44 3.04 -2.00 -3.22 116.42 115.27 2k25 h ASP 47 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k25 h ASP 47 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2k25 h ASP 47 CO 0.03 0.09 0.00 1.67 -2.04 0.00 0.00 179.24 178.99 2k25 n GLN 48 N -3.06 2.87 -4.30 4.15 7.27 -1.02 -4.98 117.38 118.31 2k25 n GLN 48 Ca 0.03 -2.19 -0.28 0.00 0.07 0.00 0.00 57.00 54.63 2k25 n GLN 48 Cb 0.57 -1.34 -0.10 0.00 2.41 0.00 0.00 30.24 31.77 2k25 n GLN 48 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2k25 s GLN 49 N -1.07 1.92 -0.00 3.69 -2.07 -0.68 -4.32 119.66 117.13 2k25 s GLN 49 Ca 0.28 -1.22 0.04 0.00 -1.82 0.00 0.00 55.36 52.65 2k25 s GLN 49 Cb 0.15 -2.14 -0.03 0.00 -1.09 0.00 0.00 33.01 29.90 2k25 s GLN 49 CO 0.19 0.46 -0.11 -0.98 -1.32 0.00 0.00 175.29 173.52 2k25 s ARG 50 N -2.47 2.42 -0.21 9.60 1.70 -1.26 -4.92 118.95 123.80 2k25 s ARG 50 Ca 0.21 -0.78 -0.17 0.00 -0.47 0.00 0.00 55.73 54.53 2k25 s ARG 50 Cb -0.10 -2.39 -0.04 0.00 -0.57 0.00 0.00 34.95 31.86 2k25 s ARG 50 CO 0.13 0.59 0.44 -0.51 -1.08 0.00 0.00 175.30 174.87 2k25 s LEU 51 N -1.25 4.14 -0.14 -1.89 1.02 -1.23 -3.72 118.68 115.61 2k25 s LEU 51 Ca 0.15 0.55 -0.01 0.00 0.02 0.00 0.00 54.13 54.84 2k25 s LEU 51 Cb -0.11 -2.58 0.04 0.00 0.02 0.00 0.00 46.19 43.56 2k25 s LEU 51 CO 0.05 -0.13 -0.03 -0.63 0.02 0.00 0.00 176.35 175.63 2k25 s ILE 52 N 1.55 0.81 -0.09 -0.59 1.09 -1.18 -0.19 121.20 122.59 2k25 s ILE 52 Ca 0.20 -0.36 0.01 0.00 -1.10 0.00 0.00 60.65 59.41 2k25 s ILE 52 Cb -0.15 -1.00 0.02 0.00 -1.06 0.00 0.00 42.46 40.26 2k25 s ILE 52 CO 0.09 0.15 -0.12 0.12 -0.10 0.00 0.00 174.94 175.08 2k25 s PHE 53 N 1.77 1.62 -1.43 3.97 5.36 0.78 -3.04 117.98 127.01 2k25 s PHE 53 Ca 0.02 -0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 55.27 2k25 s PHE 53 Cb -0.14 -1.22 0.01 0.00 -0.34 0.00 0.00 43.02 41.32 2k25 s PHE 53 CO -0.07 -0.40 0.12 0.00 -1.46 0.00 0.00 175.22 173.41 2k25 n ALA 54 N 4.24 -0.77 -0.05 11.12 0.00 -1.26 -0.04 120.51 133.75 2k25 n ALA 54 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k25 n ALA 54 Cb 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.02 2.21 3.66 0.00 0.00 -1.26 -5.01 105.19 103.77 2k25 n GLY 55 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.23 4.09 0.57 1.61 2.20 0.94 -5.08 119.74 123.84 2k25 s LYS 56 Ca 0.00 -0.17 -0.14 0.00 -0.36 0.00 0.00 55.97 55.30 2k25 s LYS 56 Cb 0.00 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2k25 s LYS 56 CO 0.00 0.03 1.01 -0.65 -0.36 0.00 0.00 175.35 175.38 2k25 s GLN 57 N 1.15 3.76 0.00 4.03 -0.21 -1.26 -0.16 119.66 126.97 2k25 s GLN 57 Ca 0.10 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.32 2k25 s GLN 57 Cb -0.14 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.77 2k25 s GLN 57 CO 0.05 -0.43 0.00 1.47 -2.12 0.00 0.00 175.29 174.26 2k25 n LEU 58 N -2.20 0.00 -4.68 2.90 -0.00 0.73 -4.91 117.00 108.84 2k25 n LEU 58 Ca 0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.76 2k25 n LEU 58 Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 2k25 n LEU 58 CO 0.53 0.00 -0.22 -1.61 -0.00 0.00 0.00 177.39 176.09 2k25 s GLU 59 N -1.77 2.14 0.23 1.47 0.41 -1.26 -3.47 118.70 116.44 2k25 s GLU 59 Ca 0.00 -2.36 0.09 0.00 -0.41 0.00 0.00 54.97 52.28 2k25 s GLU 59 Cb 0.00 -1.12 -0.04 0.00 -1.78 0.00 0.00 34.13 31.19 2k25 s GLU 59 CO 0.00 -0.47 -0.01 0.34 -0.49 0.00 0.00 175.26 174.64 2k25 s ASP 60 N -3.79 4.60 0.00 -0.19 -1.08 -1.26 -4.96 116.67 109.99 2k25 s ASP 60 Ca 0.09 -0.56 0.00 0.00 -0.52 0.00 0.00 52.55 51.56 2k25 s ASP 60 Cb 0.01 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.58 2k25 s ASP 60 CO 0.06 0.03 0.00 0.61 0.52 0.00 0.00 175.17 176.40 2k25 n GLY 61 N -0.60 -2.05 3.93 2.66 0.00 -1.26 -5.13 105.19 102.74 2k25 n GLY 61 Ca -0.08 0.68 -0.25 0.00 0.00 0.00 0.00 46.02 46.36 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 2.67 0.61 1.61 0.52 -1.26 -5.00 118.95 118.10 2k25 s ARG 62 Ca 0.00 -0.21 -0.13 0.00 -0.52 0.00 0.00 55.73 54.88 2k25 s ARG 62 Cb 0.00 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.15 2k25 s ARG 62 CO 0.00 -0.83 1.03 0.95 0.02 0.00 0.00 175.30 176.47 2k25 s THR 63 N -3.01 4.41 0.41 0.02 -4.23 -1.26 -4.81 115.64 107.17 2k25 s THR 63 Ca 0.56 0.90 0.16 0.00 -1.18 0.00 0.00 61.69 62.13 2k25 s THR 63 Cb -0.11 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.43 2k25 s THR 63 CO 0.44 -0.91 1.87 -0.07 -0.54 0.00 0.00 174.62 175.41 2k25 h LEU 64 N -0.06 0.43 -0.75 4.79 3.38 -1.76 0.23 115.31 121.57 2k25 h LEU 64 Ca -0.45 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 2k25 h LEU 64 Cb 1.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2k25 h LEU 64 CO 0.60 0.19 -0.50 -1.28 0.09 0.00 0.00 178.44 177.54 2k25 h SER 65 N 0.44 0.34 -0.01 -0.43 0.87 -1.77 0.28 113.55 113.28 2k25 h SER 65 Ca 0.44 -0.17 -0.25 0.00 -1.23 0.00 0.00 61.79 60.59 2k25 h SER 65 Cb 1.04 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2k25 h SER 65 CO -0.17 0.78 -0.94 -0.33 -0.53 0.00 0.00 176.83 175.64 2k25 h GLU 66 N 0.25 0.70 -0.00 2.24 5.08 -0.90 -3.16 114.58 118.77 2k25 h GLU 66 Ca 0.01 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 2k25 h GLU 66 Cb 0.97 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2k25 h GLU 66 CO 0.08 1.28 -0.28 0.66 -1.00 0.00 0.00 179.01 179.75 2k25 n TYR 67 N -3.87 0.00 -3.89 4.33 4.01 -0.07 -4.93 117.16 112.73 2k25 n TYR 67 Ca -0.09 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.34 2k25 n TYR 67 Cb 0.83 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2k25 n TYR 67 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k25 n ASN 68 N -1.16 -4.15 -4.94 7.72 5.15 0.96 -4.95 115.26 113.90 2k25 n ASN 68 Ca 0.10 -0.77 -0.27 0.00 -0.60 0.00 0.00 54.58 53.04 2k25 n ASN 68 Cb 0.33 -3.36 -0.03 0.00 -0.53 0.00 0.00 39.78 36.19 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2k25 s ILE 69 N -3.21 5.31 -0.38 -1.44 -4.36 -0.98 -5.00 121.20 111.14 2k25 s ILE 69 Ca 0.64 -0.59 -0.04 0.00 -0.26 0.00 0.00 60.65 60.40 2k25 s ILE 69 Cb -0.33 -3.73 0.06 0.00 1.25 0.00 0.00 42.46 39.71 2k25 s ILE 69 CO 0.78 -0.07 2.71 0.00 0.24 0.00 0.00 174.94 178.61 2k25 n GLN 70 N -0.45 2.25 -1.31 0.37 10.64 -1.26 -4.70 117.38 122.92 2k25 n GLN 70 Ca -0.06 -2.07 -0.22 0.00 -1.83 0.00 0.00 57.00 52.82 2k25 n GLN 70 Cb 0.54 -2.03 -0.08 0.00 -0.86 0.00 0.00 30.24 27.81 2k25 n GLN 70 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2k25 n LYS 71 N 0.93 2.23 -1.15 2.61 4.81 -1.26 -3.98 118.16 122.36 2k25 n LYS 71 Ca 0.45 -1.92 0.03 0.00 -0.87 0.00 0.00 58.31 56.00 2k25 n LYS 71 Cb 0.59 -2.05 0.02 0.00 0.02 0.00 0.00 35.03 33.61 2k25 n LYS 71 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2k25 n GLU 72 N 1.24 0.03 0.00 1.64 2.13 -1.26 -4.78 120.64 119.64 2k25 n GLU 72 Ca 0.45 -1.70 0.00 0.00 0.66 0.00 0.00 57.16 56.57 2k25 n GLU 72 Cb 0.64 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 32.16 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 0.30 0.00 -3.72 4.31 7.64 -1.26 -5.08 113.62 115.82 2k25 n SER 73 Ca 0.04 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.64 2k25 n SER 73 Cb 0.99 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 -0.37 0.54 -0.01 0.44 2.01 -1.26 -4.31 115.64 112.68 2k25 s THR 74 Ca 0.00 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2k25 s THR 74 Cb 0.00 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 2k25 s THR 74 CO 0.00 -0.33 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.76 2k25 s LEU 75 N 1.83 2.01 -0.27 4.42 2.01 -1.18 -4.74 118.68 122.77 2k25 s LEU 75 Ca 0.02 -0.14 0.03 0.00 0.01 0.00 0.00 54.13 54.04 2k25 s LEU 75 Cb -0.17 -0.41 0.06 0.00 0.01 0.00 0.00 46.19 45.69 2k25 s LEU 75 CO -0.13 0.10 -0.09 -1.00 1.01 0.00 0.00 176.35 176.23 2k25 s HIS 76 N -0.18 3.26 -0.39 0.29 3.76 -1.17 -4.01 115.29 116.85 2k25 s HIS 76 Ca 0.03 -2.36 0.01 0.00 -0.15 0.00 0.00 55.06 52.59 2k25 s HIS 76 Cb -0.03 -2.00 0.12 0.00 1.11 0.00 0.00 32.58 31.78 2k25 s HIS 76 CO -0.00 -0.88 0.17 -0.51 -0.85 0.00 0.00 174.74 172.67 2k25 s LEU 77 N 1.10 2.80 -0.16 0.89 1.02 -1.26 -3.11 118.68 119.96 2k25 s LEU 77 Ca -0.07 -2.26 -0.11 0.00 0.02 0.00 0.00 54.13 51.72 2k25 s LEU 77 Cb -0.20 -1.06 0.05 0.00 0.02 0.00 0.00 46.19 45.01 2k25 s LEU 77 CO -0.05 -0.33 0.40 -0.69 0.02 0.00 0.00 176.35 175.70 2k25 s VAL 78 N 0.81 -0.02 -0.29 -1.59 1.01 -1.24 -4.74 120.40 114.35 2k25 s VAL 78 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2k25 s VAL 78 Cb -0.22 -0.59 0.04 0.00 0.00 0.00 0.00 36.38 35.62 2k25 s VAL 78 CO -0.09 0.03 -0.02 -0.22 0.00 0.00 0.00 175.10 174.80 2k25 s LEU 79 N 0.98 3.70 -0.75 3.92 2.96 -1.26 -4.65 118.68 123.57 2k25 s LEU 79 Ca -0.06 -1.16 -0.04 0.00 -0.22 0.00 0.00 54.13 52.64 2k25 s LEU 79 Cb -0.06 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.93 2k25 s LEU 79 CO -0.08 -0.22 0.63 -1.14 -1.32 0.00 0.00 176.35 174.22 2k25 n ARG 80 N 4.63 -1.56 -0.74 1.98 0.63 -1.26 -4.89 116.66 115.46 2k25 n ARG 80 Ca -0.14 1.07 -0.33 0.00 -0.92 0.00 0.00 57.85 57.52 2k25 n ARG 80 Cb 0.44 -3.30 0.14 0.00 0.45 0.00 0.00 32.46 30.19 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 -2.08 -2.18 0.00 6.15 -0.00 -1.26 -5.03 117.00 112.60 2k25 n LEU 81 Ca -0.20 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.78 2k25 n LEU 81 Cb 0.63 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2k25 n LEU 81 CO 0.60 -3.21 0.00 -1.14 -0.00 0.00 0.00 177.39 173.64 2k25 n ARG 82 N -1.34 0.00 -1.03 1.47 0.63 -1.26 -5.10 116.66 110.03 2k25 n ARG 82 Ca 0.01 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.91 2k25 n ARG 82 Cb 0.62 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.55 2k25 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k25 n GLY 83 N 0.00 1.24 0.23 5.14 0.00 -1.26 -4.92 105.19 105.62 2k25 n GLY 83 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2k25 n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k25 n TYR 84 N -1.41 -0.16 -2.37 1.61 9.36 -1.26 -5.18 117.16 117.76 2k25 n TYR 84 Ca 0.02 -0.04 -0.13 0.00 3.32 0.00 0.00 57.90 61.07 2k25 n TYR 84 Cb 0.08 0.02 0.07 0.00 -0.63 0.00 0.00 39.34 38.88 2k25 n TYR 84 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k25 n ALA 85 N -2.88 0.03 -1.22 2.98 0.00 -1.26 -5.00 120.51 113.16 2k25 n ALA 85 Ca -0.01 -1.07 0.15 0.00 0.00 0.00 0.00 53.44 52.51 2k25 n ALA 85 Cb 0.03 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 2k25 n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k25 n ASP 86 N -2.99 -6.71 -2.61 0.00 2.03 -1.26 -4.94 116.55 100.06 2k25 n ASP 86 Ca 0.09 1.21 -0.08 0.00 0.52 0.00 0.00 54.79 56.54 2k25 n ASP 86 Cb 0.33 -4.20 0.06 0.00 -0.72 0.00 0.00 41.12 36.59 2k25 n ASP 86 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k25 n LEU 87 N -3.99 0.00 0.00 -2.67 4.32 -1.26 -4.86 117.00 108.54 2k25 n LEU 87 Ca -0.08 -0.34 -0.01 0.00 -0.02 0.00 0.00 56.01 55.57 2k25 n LEU 87 Cb 0.58 -0.26 -0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2k25 n LEU 87 CO 0.03 -0.99 -0.00 -1.14 -1.22 0.00 0.00 177.39 174.07 2k25 n ARG 88 N -2.00 1.25 0.31 3.23 0.63 -1.26 -5.01 116.66 113.81 2k25 n ARG 88 Ca 0.04 -0.07 0.21 0.00 -0.92 0.00 0.00 57.85 57.11 2k25 n ARG 88 Cb 0.15 0.03 1.03 0.00 0.45 0.00 0.00 32.46 34.12 2k25 n ARG 88 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2k25 h GLU 89 N 0.00 0.00 -4.86 -0.14 4.81 -1.95 -3.47 114.58 108.98 2k25 h GLU 89 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k25 h GLU 89 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2k25 h GLU 89 CO 0.01 0.00 -0.10 -3.47 -0.73 0.00 0.00 179.01 174.73 2k25 n ASP 90 N -3.07 -6.63 -4.47 1.04 2.03 -1.26 -4.84 116.55 99.36 2k25 n ASP 90 Ca -0.02 0.06 -0.30 0.00 0.52 0.00 0.00 54.79 55.06 2k25 n ASP 90 Cb 0.15 -4.44 -0.06 0.00 -0.72 0.00 0.00 41.12 36.05 2k25 n ASP 90 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k25 n PRO 91 N -1.30 1.58 -3.64 -0.67 -0.04 -1.26 -4.78 135.00 124.89 2k25 n PRO 91 Ca 0.02 -2.40 -0.04 0.00 -0.04 0.00 0.00 63.50 61.05 2k25 n PRO 91 Cb 0.47 -3.64 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 2k25 n PRO 91 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2k25 s ASP 92 N 6.31 -0.13 -0.01 3.54 2.15 -1.26 -4.73 116.67 122.54 2k25 s ASP 92 Ca 0.67 0.21 0.01 0.00 0.43 0.00 0.00 52.55 53.88 2k25 s ASP 92 Cb 0.01 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.82 2k25 s ASP 92 CO 0.14 -0.07 0.01 0.54 -0.17 0.00 0.00 175.17 175.62 2k25 n ARG 93 N 1.33 3.43 -1.38 4.34 1.74 -1.26 -5.06 116.66 119.80 2k25 n ARG 93 Ca -0.08 -0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.82 2k25 n ARG 93 Cb 0.57 -1.04 0.12 0.00 -1.02 0.00 0.00 32.46 31.09 2k25 n ARG 93 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2k25 n GLN 94 N -2.01 -0.57 0.00 5.56 1.13 -1.26 -5.08 117.38 115.14 2k25 n GLN 94 Ca -0.02 -1.42 0.00 0.00 -1.94 0.00 0.00 57.00 53.62 2k25 n GLN 94 Cb 0.50 -0.75 0.00 0.00 0.11 0.00 0.00 30.24 30.10 2k25 n GLN 94 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2k25 n ASP 95 N -3.39 0.00 -3.69 1.08 8.00 -1.26 -5.08 116.55 112.21 2k25 n ASP 95 Ca 0.11 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 2k25 n ASP 95 Cb 0.37 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 2k25 n ASP 95 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2k25 s HIS 96 N -0.58 0.46 -0.46 1.24 2.46 -1.26 -4.54 115.29 112.62 2k25 s HIS 96 Ca 0.00 -0.84 0.07 0.00 0.47 0.00 0.00 55.06 54.76 2k25 s HIS 96 Cb 0.00 0.23 0.24 0.00 -0.13 0.00 0.00 32.58 32.92 2k25 s HIS 96 CO 0.00 -1.11 0.74 1.58 -2.47 0.00 0.00 174.74 173.48 2k25 n HIS 97 N -0.45 -2.30 -1.01 3.88 -0.00 -1.26 -5.06 115.22 109.03 2k25 n HIS 97 Ca -0.02 -2.39 -0.28 0.00 0.46 0.00 0.00 57.72 55.49 2k25 n HIS 97 Cb 0.61 0.87 0.24 0.00 -0.12 0.00 0.00 29.99 31.59 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 1.69 -3.04 0.00 1.57 -0.04 -1.26 -4.98 135.00 128.94 2k25 n PRO 98 Ca 0.14 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 2k25 n PRO 98 Cb 0.59 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 -4.35 2.02 3.57 0.55 0.00 -1.26 -5.18 105.19 100.54 2k25 n GLY 99 Ca 0.14 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 2k25 n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k25 s SER 100 N 0.00 -0.49 0.00 1.61 1.04 -1.26 -5.18 113.70 109.42 2k25 s SER 100 Ca 0.00 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2k25 s SER 100 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2k25 s SER 100 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2k25 n GLY 101 N 1.16 1.04 2.98 7.32 0.00 -1.26 -5.19 105.19 111.23 2k25 n GLY 101 Ca -0.13 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.00 -1.75 1.14 4.61 0.00 -1.26 -5.39 120.51 114.86 2k25 n ALA 102 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 53.44 52.63 2k25 n ALA 102 Cb 0.00 0.62 0.54 0.00 0.00 0.00 0.00 19.45 20.61 2k25 n ALA 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54