#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 6.39 -0.06 1.61 0.15 -1.25 -4.61 113.70 115.93 2k25 s SER 2 Ca 0.00 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.24 2k25 s SER 2 Cb 0.00 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 2k25 s SER 2 CO 0.00 -0.20 -0.07 -1.48 1.20 0.00 0.00 173.24 172.69 2k25 s LEU 3 N -3.73 1.39 -0.06 3.45 2.34 -1.26 -4.36 118.68 116.45 2k25 s LEU 3 Ca 0.42 -0.19 0.04 0.00 0.06 0.00 0.00 54.13 54.46 2k25 s LEU 3 Cb -0.10 -0.59 -0.00 0.00 -0.56 0.00 0.00 46.19 44.93 2k25 s LEU 3 CO 0.32 -0.03 -0.20 -0.69 -1.06 0.00 0.00 176.35 174.68 2k25 s VAL 4 N 0.92 1.67 0.82 1.48 1.01 -1.26 -5.10 120.40 119.93 2k25 s VAL 4 Ca -0.11 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 2k25 s VAL 4 Cb -0.15 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 34.88 2k25 s VAL 4 CO 0.01 0.47 1.09 -2.16 0.00 0.00 0.00 175.10 174.51 2k25 s PRO 5 N 0.16 1.91 -0.09 2.72 0.04 -1.26 -4.96 135.00 133.52 2k25 s PRO 5 Ca -0.09 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 2k25 s PRO 5 Cb -0.14 -1.87 0.12 0.00 0.04 0.00 0.00 34.50 32.65 2k25 s PRO 5 CO 0.04 -1.85 0.96 1.03 0.04 0.00 0.00 177.00 177.22 2k25 s ARG 6 N -4.91 0.68 0.00 4.56 0.52 -1.26 -5.16 118.95 113.38 2k25 s ARG 6 Ca 0.62 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 2k25 s ARG 6 Cb -0.17 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.61 2k25 s ARG 6 CO 0.56 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.03 2k25 n GLY 7 N 0.22 4.17 0.09 -3.53 0.00 -1.26 -4.99 105.19 99.89 2k25 n GLY 7 Ca -0.09 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 2k25 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k25 n SER 8 N 0.00 0.40 -4.69 1.61 2.88 -1.26 -4.90 113.62 107.66 2k25 n SER 8 Ca 0.00 0.19 -0.35 0.00 -1.33 0.00 0.00 58.87 57.38 2k25 n SER 8 Cb 0.00 0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 2k25 n SER 8 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2k25 s MET 9 N -2.59 3.57 -0.01 -1.46 -1.94 -1.26 -5.10 119.30 110.50 2k25 s MET 9 Ca -0.07 -0.33 0.05 0.00 -1.71 0.00 0.00 55.69 53.63 2k25 s MET 9 Cb 0.07 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.83 2k25 s MET 9 CO 0.83 0.50 -0.17 -0.65 -0.01 0.00 0.00 175.02 175.52 2k25 s GLN 10 N -0.28 1.36 0.23 2.03 1.11 -1.26 -4.26 119.66 118.60 2k25 s GLN 10 Ca 0.08 -0.61 -0.05 0.00 0.01 0.00 0.00 55.36 54.80 2k25 s GLN 10 Cb -0.12 -1.32 -0.03 0.00 -1.01 0.00 0.00 33.01 30.53 2k25 s GLN 10 CO 0.02 0.36 0.26 -1.50 0.01 0.00 0.00 175.29 174.44 2k25 s ILE 11 N -0.41 0.00 -0.23 1.08 1.10 -0.54 -4.84 121.20 117.36 2k25 s ILE 11 Ca 0.06 -1.80 -0.07 0.00 -0.51 0.00 0.00 60.65 58.34 2k25 s ILE 11 Cb -0.07 -2.41 -0.03 0.00 0.15 0.00 0.00 42.46 40.11 2k25 s ILE 11 CO -0.01 0.00 0.05 0.12 -2.11 0.00 0.00 174.94 173.00 2k25 s PHE 12 N -4.04 3.08 -0.05 3.50 2.19 -1.26 -4.02 117.98 117.38 2k25 s PHE 12 Ca 0.33 -0.41 0.01 0.00 0.33 0.00 0.00 56.93 57.19 2k25 s PHE 12 Cb 0.04 -2.19 0.02 0.00 -1.31 0.00 0.00 43.02 39.58 2k25 s PHE 12 CO 0.12 -0.31 -0.05 0.08 1.83 0.00 0.00 175.22 176.89 2k25 s VAL 13 N 1.40 0.58 -0.20 3.12 1.01 -1.25 -3.23 120.40 121.83 2k25 s VAL 13 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2k25 s VAL 13 Cb -0.15 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2k25 s VAL 13 CO 0.03 0.23 -0.17 -0.54 0.00 0.00 0.00 175.10 174.66 2k25 s LYS 14 N 0.89 2.85 0.93 2.72 -0.14 -1.26 -3.42 119.74 122.31 2k25 s LYS 14 Ca -0.11 -0.93 -0.16 0.00 -1.36 0.00 0.00 55.97 53.41 2k25 s LYS 14 Cb -0.14 -2.68 0.23 0.00 -1.68 0.00 0.00 37.83 33.55 2k25 s LYS 14 CO 0.00 -0.29 0.95 0.25 -0.76 0.00 0.00 175.35 175.51 2k25 n THR 15 N 4.60 0.00 0.08 2.17 -2.24 -0.85 -4.84 114.28 113.20 2k25 n THR 15 Ca -0.19 -0.53 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 2k25 n THR 15 Cb 0.48 -1.33 -0.01 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 0.25 0.14 3.22 3.38 -1.89 -3.27 115.31 117.13 2k25 h LEU 16 Ca -0.34 -0.20 -0.28 0.00 0.09 0.00 0.00 57.88 57.14 2k25 h LEU 16 Cb 1.00 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.68 2k25 h LEU 16 CO 0.23 1.01 -1.30 0.00 0.09 0.00 0.00 178.44 178.46 2k25 h THR 17 N 0.10 1.44 0.00 0.22 1.03 -1.94 -3.48 112.91 110.28 2k25 h THR 17 Ca -0.04 -3.00 0.00 0.00 -0.01 0.00 0.00 66.41 63.36 2k25 h THR 17 Cb 1.51 2.93 0.00 0.00 -1.07 0.00 0.00 68.15 71.52 2k25 h THR 17 CO 0.13 0.88 0.00 0.61 -0.01 0.00 0.00 175.52 177.13 2k25 n GLY 18 N 1.57 0.47 3.77 2.99 0.00 -1.23 -5.12 105.19 107.63 2k25 n GLY 18 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 3.92 -0.13 1.61 2.36 -1.26 -4.70 119.74 121.54 2k25 s LYS 19 Ca 0.00 2.28 -0.01 0.00 -2.55 0.00 0.00 55.97 55.69 2k25 s LYS 19 Cb 0.00 -2.76 -0.02 0.00 -1.05 0.00 0.00 37.83 34.00 2k25 s LYS 19 CO 0.00 -0.58 -0.10 0.95 1.55 0.00 0.00 175.35 177.17 2k25 s THR 20 N -1.22 3.32 -0.03 3.43 -4.23 -1.26 -2.00 115.64 113.65 2k25 s THR 20 Ca 0.57 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2k25 s THR 20 Cb -0.41 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2k25 s THR 20 CO 0.53 0.52 -0.07 0.27 -0.54 0.00 0.00 174.62 175.33 2k25 s ILE 21 N 0.24 0.64 -0.22 2.99 -0.00 -1.22 -5.06 121.20 118.57 2k25 s ILE 21 Ca -0.07 -0.25 -0.28 0.00 -0.00 0.00 0.00 60.65 60.04 2k25 s ILE 21 Cb -0.15 -0.60 0.01 0.00 -0.00 0.00 0.00 42.46 41.72 2k25 s ILE 21 CO 0.04 0.22 1.01 -0.89 -0.00 0.00 0.00 174.94 175.32 2k25 s THR 22 N 0.40 4.71 0.25 8.37 2.01 -1.26 -3.89 115.64 126.24 2k25 s THR 22 Ca -0.06 1.96 0.10 0.00 0.31 0.00 0.00 61.69 64.00 2k25 s THR 22 Cb -0.10 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2k25 s THR 22 CO 0.00 -0.15 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.98 2k25 s LEU 23 N 3.04 3.08 0.05 4.42 1.02 -1.26 -4.43 118.68 124.60 2k25 s LEU 23 Ca 0.43 -0.68 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 2k25 s LEU 23 Cb -0.15 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2k25 s LEU 23 CO 0.07 0.02 0.21 -0.70 0.02 0.00 0.00 176.35 175.98 2k25 s GLU 24 N -3.52 3.45 0.01 1.70 2.12 -1.26 -1.47 118.70 119.73 2k25 s GLU 24 Ca 0.30 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.24 2k25 s GLU 24 Cb -0.07 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 2k25 s GLU 24 CO 0.19 0.62 -0.02 0.14 -0.54 0.00 0.00 175.26 175.64 2k25 s VAL 25 N -1.47 0.13 -0.13 3.70 -7.23 -1.26 -4.84 120.40 109.30 2k25 s VAL 25 Ca 0.34 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.86 2k25 s VAL 25 Cb -0.13 -0.17 0.07 0.00 0.56 0.00 0.00 36.38 36.71 2k25 s VAL 25 CO 0.26 -0.15 0.67 -1.61 -0.31 0.00 0.00 175.10 173.95 2k25 s GLU 26 N -0.54 0.94 0.37 4.82 0.41 -1.26 -4.94 118.70 118.51 2k25 s GLU 26 Ca -0.05 0.51 0.16 0.00 -0.41 0.00 0.00 54.97 55.19 2k25 s GLU 26 Cb -0.04 0.45 0.73 0.00 -1.78 0.00 0.00 34.13 33.49 2k25 s GLU 26 CO -0.00 -0.23 1.78 -1.00 -0.49 0.00 0.00 175.26 175.32 2k25 h PRO 27 N 3.84 0.00 0.00 0.39 0.13 -1.99 -3.06 132.00 131.30 2k25 h PRO 27 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.27 0.39 -1.39 -1.13 -0.23 0.00 0.00 178.00 175.90 2k25 n SER 28 N -3.77 0.70 -4.60 1.44 3.41 -1.26 -1.89 113.62 107.65 2k25 n SER 28 Ca -0.01 -0.49 -0.35 0.00 -0.26 0.00 0.00 58.87 57.76 2k25 n SER 28 Cb 0.46 1.44 -0.10 0.00 -0.26 0.00 0.00 64.21 65.75 2k25 n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k25 s ASP 29 N -3.52 5.58 0.60 4.04 -1.08 -1.16 -4.95 116.67 116.17 2k25 s ASP 29 Ca 0.00 0.02 0.01 0.00 -0.52 0.00 0.00 52.55 52.06 2k25 s ASP 29 Cb 0.14 -1.97 0.06 0.00 -1.46 0.00 0.00 42.92 39.68 2k25 s ASP 29 CO 0.80 0.12 0.84 0.28 0.52 0.00 0.00 175.17 177.72 2k25 s THR 30 N 0.72 2.50 0.58 1.71 -1.32 -1.26 -4.03 115.64 114.54 2k25 s THR 30 Ca 0.04 -0.65 0.29 0.00 -1.21 0.00 0.00 61.69 60.15 2k25 s THR 30 Cb -0.13 -2.85 0.39 0.00 -1.51 0.00 0.00 72.50 68.40 2k25 s THR 30 CO 0.02 0.00 1.93 0.40 -2.21 0.00 0.00 174.62 174.76 2k25 h ILE 31 N -0.09 0.45 -0.27 5.08 5.03 -1.95 -1.85 117.51 123.92 2k25 h ILE 31 Ca -0.40 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.40 2k25 h ILE 31 Cb 1.29 0.65 -0.07 0.00 -3.03 0.00 0.00 36.82 35.66 2k25 h ILE 31 CO 0.49 0.00 -0.27 -0.33 -0.68 0.00 0.00 178.15 177.35 2k25 h GLU 32 N 0.00 -0.26 0.00 2.37 4.39 -1.94 0.78 114.58 119.91 2k25 h GLU 32 Ca 0.23 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.77 2k25 h GLU 32 Cb 1.12 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 2k25 h GLU 32 CO -0.00 -0.17 -0.83 -0.97 -1.16 0.00 0.00 179.01 175.87 2k25 h ASN 33 N -0.27 0.00 -0.09 1.42 -0.73 -1.73 -3.20 115.58 110.99 2k25 h ASN 33 Ca 0.14 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 2k25 h ASN 33 Cb 0.50 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 2k25 h ASN 33 CO -0.42 0.83 0.01 0.58 -0.37 0.00 0.00 177.43 178.06 2k25 h VAL 34 N 0.00 1.11 -0.62 2.57 2.07 -0.88 -2.02 116.25 118.48 2k25 h VAL 34 Ca -0.01 -0.40 0.18 0.00 0.82 0.00 0.00 66.70 67.29 2k25 h VAL 34 Cb 1.50 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2k25 h VAL 34 CO 0.11 0.13 0.53 0.07 0.02 0.00 0.00 177.57 178.43 2k25 h LYS 35 N 0.23 0.00 -0.13 1.57 2.10 -0.87 0.38 116.57 119.86 2k25 h LYS 35 Ca 0.06 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.61 2k25 h LYS 35 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 2k25 h LYS 35 CO 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 179.45 177.09 2k25 h ALA 36 N 1.52 1.16 0.04 0.07 0.00 -1.57 -0.96 119.26 119.52 2k25 h ALA 36 Ca 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k25 h ALA 36 Cb 1.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k25 h ALA 36 CO -0.00 0.55 -0.02 0.87 0.00 0.00 0.00 179.25 180.65 2k25 h LYS 37 N 0.23 -0.05 -0.89 0.00 6.56 -0.40 -3.20 116.57 118.82 2k25 h LYS 37 Ca 0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.60 2k25 h LYS 37 Cb 0.74 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.37 2k25 h LYS 37 CO 0.06 0.59 0.49 0.97 -2.06 0.00 0.00 179.45 179.50 2k25 h ILE 38 N -0.74 1.26 -0.43 1.86 6.09 -1.48 -1.89 117.51 122.17 2k25 h ILE 38 Ca -0.00 -0.62 0.12 0.00 -1.37 0.00 0.00 64.86 62.98 2k25 h ILE 38 Cb 0.65 0.05 -0.02 0.00 0.47 0.00 0.00 36.82 37.97 2k25 h ILE 38 CO 0.01 0.29 0.31 -0.61 -3.07 0.00 0.00 178.15 175.07 2k25 h GLN 39 N 1.24 0.00 0.00 2.19 5.75 -1.25 0.21 115.11 123.26 2k25 h GLN 39 Ca 0.31 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.70 2k25 h GLN 39 Cb 0.02 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2k25 h GLN 39 CO -0.05 0.00 -0.53 0.22 -2.65 0.00 0.00 178.83 175.82 2k25 h ASP 40 N 0.00 0.00 0.13 -0.69 3.58 -1.34 -0.37 116.42 117.73 2k25 h ASP 40 Ca 0.20 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2k25 h ASP 40 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2k25 h ASP 40 CO -0.00 0.53 -0.06 0.11 -2.88 0.00 0.00 179.24 176.93 2k25 h LYS 41 N 0.00 -0.17 0.00 0.28 1.79 -0.51 -3.44 116.57 114.51 2k25 h LYS 41 Ca -0.01 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k25 h LYS 41 Cb 1.22 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2k25 h LYS 41 CO 0.07 0.23 -0.69 0.39 -1.08 0.00 0.00 179.45 178.37 2k25 n GLU 42 N -4.87 1.24 0.00 3.15 -0.58 -0.77 -5.02 120.64 113.79 2k25 n GLU 42 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 2k25 n GLU 42 Cb 0.24 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 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 2.58 1.46 3.58 0.62 0.00 -0.15 -5.00 105.19 108.29 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 4.56 0.66 -0.61 1.01 -1.26 -4.89 121.20 118.67 2k25 s ILE 44 Ca 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.45 2k25 s ILE 44 Cb 0.00 -4.35 -0.00 0.00 0.01 0.00 0.00 42.46 38.11 2k25 s ILE 44 CO 0.00 -0.64 1.11 -2.16 0.00 0.00 0.00 174.94 173.25 2k25 s PRO 45 N 3.53 2.81 0.53 2.79 0.04 -1.26 -4.53 135.00 138.91 2k25 s PRO 45 Ca 0.36 1.39 0.33 0.00 0.04 0.00 0.00 61.00 63.13 2k25 s PRO 45 Cb -0.11 -1.95 1.39 0.00 0.04 0.00 0.00 34.50 33.86 2k25 s PRO 45 CO 0.22 -1.24 1.98 -1.00 0.04 0.00 0.00 177.00 176.99 2k25 h PRO 46 N 0.04 0.00 -0.95 0.56 0.13 -1.93 0.96 132.00 130.82 2k25 h PRO 46 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 2k25 h PRO 46 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2k25 h PRO 46 CO 0.54 0.00 0.63 -0.44 -0.23 0.00 0.00 178.00 178.50 2k25 h ASP 47 N 0.00 1.06 0.00 1.44 3.32 -2.03 -3.20 116.42 117.01 2k25 h ASP 47 Ca 0.00 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 2k25 h ASP 47 Cb 0.48 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2k25 h ASP 47 CO 0.00 0.75 -1.65 0.00 -1.72 0.00 0.00 179.24 176.61 2k25 n GLN 48 N -4.42 1.29 -2.05 3.56 6.02 -1.15 -4.99 117.38 115.64 2k25 n GLN 48 Ca 0.12 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 2k25 n GLN 48 Cb 0.06 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 2k25 n GLN 48 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k25 s GLN 49 N -2.54 4.29 0.47 -1.09 0.74 0.32 -4.74 119.66 117.10 2k25 s GLN 49 Ca -0.05 2.26 0.06 0.00 0.05 0.00 0.00 55.36 57.68 2k25 s GLN 49 Cb 0.05 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 31.06 2k25 s GLN 49 CO 0.47 -0.40 0.64 1.03 -0.55 0.00 0.00 175.29 176.49 2k25 s ARG 50 N -0.23 2.71 -0.04 1.67 0.52 -1.26 -4.77 118.95 117.55 2k25 s ARG 50 Ca 0.59 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2k25 s ARG 50 Cb -0.41 -2.67 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 2k25 s ARG 50 CO 0.42 -0.44 -0.15 -0.51 0.02 0.00 0.00 175.30 174.64 2k25 s LEU 51 N -4.49 1.87 -0.11 2.53 1.02 -1.26 -2.87 118.68 115.37 2k25 s LEU 51 Ca 0.56 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 54.39 2k25 s LEU 51 Cb -0.10 -0.87 0.03 0.00 0.02 0.00 0.00 46.19 45.27 2k25 s LEU 51 CO 0.35 0.13 -0.03 -0.63 0.02 0.00 0.00 176.35 176.19 2k25 s ILE 52 N 0.10 0.69 -0.16 -0.59 1.09 -0.26 -2.74 121.20 119.33 2k25 s ILE 52 Ca -0.04 -0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 2k25 s ILE 52 Cb -0.11 -0.85 0.03 0.00 -1.06 0.00 0.00 42.46 40.47 2k25 s ILE 52 CO 0.02 0.23 -0.12 0.12 -0.10 0.00 0.00 174.94 175.09 2k25 s PHE 53 N 1.83 2.18 -1.32 3.97 5.36 0.84 -2.66 117.98 128.19 2k25 s PHE 53 Ca 0.04 -1.31 -0.02 0.00 -0.96 0.00 0.00 56.93 54.68 2k25 s PHE 53 Cb -0.13 -1.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.99 2k25 s PHE 53 CO -0.07 -0.68 0.17 0.00 -1.46 0.00 0.00 175.22 173.18 2k25 n ALA 54 N 4.76 -0.82 0.00 11.12 0.00 -1.26 -0.10 120.51 134.21 2k25 n ALA 54 Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k25 n ALA 54 Cb 0.49 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.01 3.20 3.66 0.00 0.00 -1.26 -5.01 105.19 104.76 2k25 n GLY 55 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.47 4.10 0.57 1.61 2.20 0.86 -5.05 119.74 123.56 2k25 s LYS 56 Ca 0.00 -0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 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 1.14 -0.36 0.00 0.00 175.35 177.17 2k25 s GLN 57 N 1.15 3.72 0.00 4.03 0.00 -1.26 -0.11 119.66 127.20 2k25 s GLN 57 Ca 0.11 0.86 0.00 0.00 -0.00 0.00 0.00 55.36 56.33 2k25 s GLN 57 Cb -0.14 -2.10 0.00 0.00 0.00 0.00 0.00 33.01 30.77 2k25 s GLN 57 CO 0.06 -0.46 0.00 1.28 0.00 0.00 0.00 175.29 176.16 2k25 n LEU 58 N -2.22 0.00 0.00 2.60 4.32 -1.11 -4.88 117.00 115.71 2k25 n LEU 58 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 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 0.52 -0.18 0.00 -0.62 -1.22 0.00 0.00 177.39 175.90 2k25 n GLU 59 N -0.35 0.00 -0.49 3.23 1.02 -1.26 -4.75 120.64 118.04 2k25 n GLU 59 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2k25 n GLU 59 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.65 2k25 n GLU 59 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k25 n ASP 60 N -2.09 -2.63 -3.86 1.62 9.92 -1.26 -5.00 116.55 113.24 2k25 n ASP 60 Ca 0.00 -0.34 -0.30 0.00 -0.53 0.00 0.00 54.79 53.62 2k25 n ASP 60 Cb 0.00 -1.05 -0.15 0.00 -0.64 0.00 0.00 41.12 39.28 2k25 n ASP 60 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2k25 s GLY 61 N -2.29 1.44 0.31 0.44 0.00 -1.26 -5.08 107.32 100.87 2k25 s GLY 61 Ca 0.61 -2.00 0.03 0.00 0.00 0.00 0.00 44.72 43.36 2k25 s GLY 61 CO 0.60 1.30 0.06 -1.60 0.00 0.00 0.00 173.10 173.46 2k25 s ARG 62 N 1.31 1.59 0.64 2.90 3.52 -1.26 -4.99 118.95 122.66 2k25 s ARG 62 Ca 0.09 -1.88 -0.12 0.00 -0.13 0.00 0.00 55.73 53.70 2k25 s ARG 62 Cb -0.18 -0.74 -0.02 0.00 -1.56 0.00 0.00 34.95 32.44 2k25 s ARG 62 CO -0.17 -0.20 1.04 0.95 -0.81 0.00 0.00 175.30 176.11 2k25 s THR 63 N -3.39 4.28 0.25 4.11 -4.23 -1.26 -4.54 115.64 110.86 2k25 s THR 63 Ca 0.36 0.82 0.11 0.00 -1.18 0.00 0.00 61.69 61.80 2k25 s THR 63 Cb 0.08 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.31 2k25 s THR 63 CO 0.15 -0.89 1.59 -0.07 -0.54 0.00 0.00 174.62 174.86 2k25 h LEU 64 N -0.26 0.00 -0.27 4.79 3.38 -1.75 -1.48 115.31 119.72 2k25 h LEU 64 Ca -0.45 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.35 2k25 h LEU 64 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2k25 h LEU 64 CO 0.59 0.63 -0.53 -1.28 0.09 0.00 0.00 178.44 177.94 2k25 h SER 65 N 0.00 0.94 0.03 -0.43 0.87 -1.69 0.30 113.55 113.56 2k25 h SER 65 Ca -0.01 -0.54 -0.24 0.00 -1.23 0.00 0.00 61.79 59.77 2k25 h SER 65 Cb 1.13 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2k25 h SER 65 CO 0.08 1.30 -0.93 -0.33 -0.53 0.00 0.00 176.83 176.42 2k25 h GLU 66 N 0.61 0.66 -0.00 2.24 4.39 -1.81 -3.13 114.58 117.54 2k25 h GLU 66 Ca 0.01 -0.65 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2k25 h GLU 66 Cb 1.14 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2k25 h GLU 66 CO 0.12 1.25 -0.18 0.98 -1.16 0.00 0.00 179.01 180.02 2k25 n TYR 67 N -3.86 0.00 -2.69 4.33 4.19 -0.56 -4.91 117.16 113.66 2k25 n TYR 67 Ca -0.09 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 60.97 2k25 n TYR 67 Cb 0.82 -0.29 -0.00 0.00 0.49 0.00 0.00 39.34 40.36 2k25 n TYR 67 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2k25 n ASN 68 N -1.25 -3.84 -4.93 2.98 2.85 0.99 -4.94 115.26 107.12 2k25 n ASN 68 Ca 0.10 0.05 -0.25 0.00 -0.11 0.00 0.00 54.58 54.37 2k25 n ASN 68 Cb 0.31 -3.24 -0.01 0.00 1.24 0.00 0.00 39.78 38.09 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2k25 s ILE 69 N -2.69 5.00 -1.02 -1.44 -4.36 -0.89 -5.03 121.20 110.77 2k25 s ILE 69 Ca 0.11 -0.28 -0.03 0.00 -0.26 0.00 0.00 60.65 60.19 2k25 s ILE 69 Cb -0.06 -3.85 0.30 0.00 1.25 0.00 0.00 42.46 40.11 2k25 s ILE 69 CO 0.14 -0.63 1.37 0.00 0.24 0.00 0.00 174.94 176.05 2k25 n GLN 70 N -1.93 4.18 0.00 0.37 10.64 -1.26 -4.71 117.38 124.67 2k25 n GLN 70 Ca -0.03 -4.57 0.12 0.00 -1.83 0.00 0.00 57.00 50.69 2k25 n GLN 70 Cb 0.56 -2.48 0.22 0.00 -0.86 0.00 0.00 30.24 27.68 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 1.31 0.72 -0.40 2.61 0.00 -1.26 -3.96 118.16 117.18 2k25 n LYS 71 Ca 0.26 -0.49 0.04 0.00 0.00 0.00 0.00 58.31 58.12 2k25 n LYS 71 Cb 0.34 -1.49 0.19 0.00 0.00 0.00 0.00 35.03 34.08 2k25 n LYS 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k25 n GLU 72 N -0.71 2.75 0.00 1.64 1.02 -1.26 -4.50 120.64 119.57 2k25 n GLU 72 Ca 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 2k25 n GLU 72 Cb 0.37 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2k25 n GLU 72 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2k25 n SER 73 N 0.34 0.00 -3.70 1.62 3.41 -1.25 -5.07 113.62 108.98 2k25 n SER 73 Ca 0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.47 2k25 n SER 73 Cb 0.65 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.44 2k25 n SER 73 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k25 s THR 74 N 0.00 0.35 0.04 6.66 2.01 -1.26 -4.45 115.64 118.98 2k25 s THR 74 Ca 0.00 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.57 2k25 s THR 74 Cb 0.00 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2k25 s THR 74 CO 0.00 -0.25 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.36 2k25 s LEU 75 N 1.94 2.19 -0.23 4.42 1.98 -1.20 -4.70 118.68 123.08 2k25 s LEU 75 Ca 0.00 -0.46 -0.01 0.00 -2.89 0.00 0.00 54.13 50.77 2k25 s LEU 75 Cb -0.17 -0.38 0.07 0.00 0.66 0.00 0.00 46.19 46.37 2k25 s LEU 75 CO -0.09 -0.07 0.01 -2.28 -1.89 0.00 0.00 176.35 172.03 2k25 s HIS 76 N -1.00 1.71 -0.41 5.38 5.65 -1.09 -3.84 115.29 121.70 2k25 s HIS 76 Ca -0.03 -1.38 0.01 0.00 0.25 0.00 0.00 55.06 53.92 2k25 s HIS 76 Cb -0.08 -1.38 0.13 0.00 -1.18 0.00 0.00 32.58 30.07 2k25 s HIS 76 CO 0.01 -0.72 0.22 -0.48 -0.65 0.00 0.00 174.74 173.12 2k25 s LEU 77 N 1.62 2.33 -0.02 8.88 2.34 -1.26 -1.10 118.68 131.47 2k25 s LEU 77 Ca -0.01 -2.43 -0.15 0.00 0.06 0.00 0.00 54.13 51.60 2k25 s LEU 77 Cb -0.18 -0.90 0.02 0.00 -0.56 0.00 0.00 46.19 44.58 2k25 s LEU 77 CO -0.10 -0.29 0.32 -0.69 -1.06 0.00 0.00 176.35 174.53 2k25 s VAL 78 N 0.63 0.05 -0.12 1.48 1.01 -1.14 -4.72 120.40 117.60 2k25 s VAL 78 Ca 0.17 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2k25 s VAL 78 Cb -0.23 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2k25 s VAL 78 CO -0.02 -0.25 0.20 -0.22 0.00 0.00 0.00 175.10 174.81 2k25 s LEU 79 N -1.29 4.37 -0.38 3.92 2.96 -1.26 -4.30 118.68 122.70 2k25 s LEU 79 Ca -0.13 0.52 -0.28 0.00 -0.22 0.00 0.00 54.13 54.02 2k25 s LEU 79 Cb -0.05 -2.18 -0.13 0.00 0.50 0.00 0.00 46.19 44.33 2k25 s LEU 79 CO 0.04 0.34 1.48 -1.14 -1.32 0.00 0.00 176.35 175.75 2k25 n ARG 80 N 2.31 0.00 -1.43 1.98 0.63 -1.26 -4.87 116.66 114.02 2k25 n ARG 80 Ca -0.18 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.45 2k25 n ARG 80 Cb 0.54 -1.00 0.21 0.00 0.45 0.00 0.00 32.46 32.66 2k25 n ARG 80 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k25 s LEU 81 N 4.30 1.55 -0.06 6.15 2.01 -1.26 -5.02 118.68 126.35 2k25 s LEU 81 Ca 0.82 0.52 0.16 0.00 0.01 0.00 0.00 54.13 55.64 2k25 s LEU 81 Cb -0.98 -2.41 0.31 0.00 0.01 0.00 0.00 46.19 43.12 2k25 s LEU 81 CO 0.42 -3.49 1.14 0.54 1.01 0.00 0.00 176.35 175.97 2k25 n ARG 82 N -4.32 0.50 0.00 1.70 1.74 -1.26 -4.99 116.66 110.03 2k25 n ARG 82 Ca 0.13 -2.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 2k25 n ARG 82 Cb 0.59 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.38 2k25 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k25 n GLY 83 N -0.20 2.91 3.23 -0.13 0.00 -1.26 -5.08 105.19 104.65 2k25 n GLY 83 Ca 0.09 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.62 -2.60 -3.80 1.61 4.11 -1.26 -5.06 117.16 109.55 2k25 n TYR 84 Ca 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 57.90 57.51 2k25 n TYR 84 Cb 0.00 -1.46 -0.00 0.00 -0.00 0.00 0.00 39.34 37.88 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 -2.18 -1.61 0.51 -3.48 0.00 -1.26 -5.18 121.76 108.56 2k25 s ALA 85 Ca 0.59 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.58 2k25 s ALA 85 Cb -0.14 0.67 0.05 0.00 0.00 0.00 0.00 23.12 23.71 2k25 s ALA 85 CO 0.54 -1.05 0.68 0.34 0.00 0.00 0.00 175.76 176.28 2k25 s ASP 86 N -3.10 5.27 -0.55 0.00 2.15 -1.26 -5.07 116.67 114.12 2k25 s ASP 86 Ca 0.16 -0.71 -0.18 0.00 0.43 0.00 0.00 52.55 52.24 2k25 s ASP 86 Cb -0.02 -0.06 0.09 0.00 -0.30 0.00 0.00 42.92 42.63 2k25 s ASP 86 CO 0.04 -1.10 0.61 -0.76 -0.17 0.00 0.00 175.17 173.78 2k25 s LEU 87 N -4.52 5.45 -0.06 -1.34 2.01 -1.26 -5.02 118.68 113.95 2k25 s LEU 87 Ca 0.58 -1.36 -0.03 0.00 0.01 0.00 0.00 54.13 53.33 2k25 s LEU 87 Cb -0.07 -2.31 0.03 0.00 0.01 0.00 0.00 46.19 43.85 2k25 s LEU 87 CO 0.36 -0.96 0.13 -0.13 1.01 0.00 0.00 176.35 176.76 2k25 s ARG 88 N 2.36 0.10 -1.38 1.70 0.52 -1.26 -4.86 118.95 116.13 2k25 s ARG 88 Ca 0.10 0.31 -0.09 0.00 -0.52 0.00 0.00 55.73 55.53 2k25 s ARG 88 Cb -0.24 -0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.13 2k25 s ARG 88 CO 0.07 -0.13 1.15 -1.91 0.02 0.00 0.00 175.30 174.51 2k25 n GLU 89 N 3.89 -7.75 -4.40 3.54 2.13 -1.26 -5.00 120.64 111.78 2k25 n GLU 89 Ca -0.23 0.83 -0.21 0.00 0.66 0.00 0.00 57.16 58.21 2k25 n GLU 89 Cb 0.54 -5.87 -0.10 0.00 0.27 0.00 0.00 31.44 26.27 2k25 n GLU 89 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 2k25 s ASP 90 N -3.29 2.96 -1.06 4.31 1.47 -1.26 -5.05 116.67 114.75 2k25 s ASP 90 Ca 0.58 -1.06 -0.23 0.00 1.18 0.00 0.00 52.55 53.02 2k25 s ASP 90 Cb -0.26 -0.20 -0.11 0.00 -0.34 0.00 0.00 42.92 42.01 2k25 s ASP 90 CO 0.71 -0.14 1.93 -0.81 0.68 0.00 0.00 175.17 177.54 2k25 n PRO 91 N -0.50 1.55 -3.63 2.11 -0.04 -1.26 -4.78 135.00 128.44 2k25 n PRO 91 Ca -0.07 -2.28 -0.03 0.00 -0.04 0.00 0.00 63.50 61.08 2k25 n PRO 91 Cb 0.61 -3.50 -0.04 0.00 -0.04 0.00 0.00 33.50 30.53 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 6.10 -0.07 1.14 3.54 2.15 -1.26 -4.61 116.67 123.66 2k25 s ASP 92 Ca 0.66 0.06 -0.18 0.00 0.43 0.00 0.00 52.55 53.52 2k25 s ASP 92 Cb 0.04 0.06 0.15 0.00 -0.30 0.00 0.00 42.92 42.86 2k25 s ASP 92 CO 0.14 -0.07 0.17 0.54 -0.17 0.00 0.00 175.17 175.78 2k25 n ARG 93 N 0.42 -1.90 -1.61 4.34 5.12 -1.26 -5.02 116.66 116.76 2k25 n ARG 93 Ca -0.00 -0.54 -0.06 0.00 -1.93 0.00 0.00 57.85 55.32 2k25 n ARG 93 Cb 0.58 -1.76 0.02 0.00 -1.16 0.00 0.00 32.46 30.14 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 -2.60 0.90 -3.17 5.56 10.64 -1.26 -4.95 117.38 122.50 2k25 n GLN 94 Ca 0.01 -0.92 -0.02 0.00 -1.83 0.00 0.00 57.00 54.24 2k25 n GLN 94 Cb 0.60 -0.06 0.02 0.00 -0.86 0.00 0.00 30.24 29.94 2k25 n GLN 94 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2k25 n ASP 95 N -2.76 -1.26 -3.26 2.61 -0.08 -1.26 -5.00 116.55 105.54 2k25 n ASP 95 Ca 0.05 -1.67 -0.04 0.00 -1.51 0.00 0.00 54.79 51.61 2k25 n ASP 95 Cb 0.18 2.06 -0.04 0.00 2.34 0.00 0.00 41.12 45.65 2k25 n ASP 95 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2k25 s HIS 96 N -3.26 -1.23 -0.35 -0.67 3.76 -1.26 -2.25 115.29 110.04 2k25 s HIS 96 Ca 0.16 0.95 -0.03 0.00 -0.15 0.00 0.00 55.06 55.99 2k25 s HIS 96 Cb -0.02 0.15 0.25 0.00 1.11 0.00 0.00 32.58 34.07 2k25 s HIS 96 CO 0.04 -0.89 1.17 1.58 -0.85 0.00 0.00 174.74 175.79 2k25 n HIS 97 N 5.39 -0.82 -1.22 1.40 -0.00 -1.26 -4.68 115.22 114.02 2k25 n HIS 97 Ca -0.00 -0.76 -0.30 0.00 -0.00 0.00 0.00 57.72 56.65 2k25 n HIS 97 Cb 0.51 1.13 0.12 0.00 -0.00 0.00 0.00 29.99 31.74 2k25 n HIS 97 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2k25 s PRO 98 N 0.42 1.68 0.00 1.57 0.04 -1.26 -3.79 135.00 133.65 2k25 s PRO 98 Ca 0.26 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2k25 s PRO 98 Cb 0.18 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2k25 s PRO 98 CO -0.10 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.36 2k25 n GLY 99 N -1.15 4.80 0.47 0.56 0.00 -1.26 -5.05 105.19 103.55 2k25 n GLY 99 Ca 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.00 0.00 1.61 7.64 -1.26 -5.16 113.62 116.45 2k25 n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k25 n SER 100 Cb 0.00 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 2.81 0.50 3.77 0.23 0.00 -1.26 -5.15 105.19 106.10 2k25 n GLY 101 Ca 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.93 -2.84 1.31 4.61 0.00 -1.26 -5.34 120.51 116.06 2k25 n ALA 102 Ca 0.00 -0.94 0.13 0.00 0.00 0.00 0.00 53.44 52.63 2k25 n ALA 102 Cb 0.00 0.45 0.37 0.00 0.00 0.00 0.00 19.45 20.27 2k25 n ALA 102 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44