#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 -0.20 0.85 1.61 0.01 -1.26 -5.16 113.70 109.55 2k25 s SER 2 Ca 0.00 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 2k25 s SER 2 Cb 0.00 0.72 0.11 0.00 0.21 0.00 0.00 66.02 67.06 2k25 s SER 2 CO 0.00 -1.35 1.18 0.00 0.41 0.00 0.00 173.24 173.48 2k25 n LEU 3 N -0.46 4.00 -4.59 2.44 -0.00 -1.26 -5.03 117.00 112.10 2k25 n LEU 3 Ca -0.04 0.52 -0.26 0.00 -0.00 0.00 0.00 56.01 56.24 2k25 n LEU 3 Cb 0.59 -1.50 -0.09 0.00 -0.00 0.00 0.00 43.42 42.43 2k25 n LEU 3 CO 0.17 -1.88 -0.39 0.68 -0.00 0.00 0.00 177.39 175.97 2k25 s VAL 4 N -2.32 3.24 1.03 1.47 -7.23 -1.26 -5.07 120.40 110.26 2k25 s VAL 4 Ca 0.71 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 2k25 s VAL 4 Cb -0.27 -2.64 0.20 0.00 0.56 0.00 0.00 36.38 34.23 2k25 s VAL 4 CO 0.54 -0.19 1.09 -2.16 -0.31 0.00 0.00 175.10 174.07 2k25 s PRO 5 N -3.07 0.20 -0.29 4.82 0.04 -1.26 -5.09 135.00 130.35 2k25 s PRO 5 Ca 0.27 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.60 2k25 s PRO 5 Cb -0.08 -1.72 0.17 0.00 0.04 0.00 0.00 34.50 32.91 2k25 s PRO 5 CO 0.16 -2.87 1.07 0.50 0.04 0.00 0.00 177.00 175.91 2k25 s ARG 6 N -4.98 0.26 0.00 4.56 6.06 -1.26 -5.18 118.95 118.40 2k25 s ARG 6 Ca 0.66 0.46 0.00 0.00 -2.50 0.00 0.00 55.73 54.35 2k25 s ARG 6 Cb -0.18 0.07 0.00 0.00 0.06 0.00 0.00 34.95 34.90 2k25 s ARG 6 CO 0.58 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 173.73 2k25 n GLY 7 N 3.60 1.61 0.09 8.12 0.00 -1.26 -5.01 105.19 112.33 2k25 n GLY 7 Ca -0.17 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.51 1.61 2.88 -1.26 -4.94 113.62 107.80 2k25 n SER 8 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 2k25 n SER 8 Cb 0.00 0.99 -0.12 0.00 -0.75 0.00 0.00 64.21 64.33 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 -2.48 3.31 0.02 -1.46 -1.94 -1.26 -5.08 119.30 110.40 2k25 s MET 9 Ca -0.09 -0.56 0.05 0.00 -1.71 0.00 0.00 55.69 53.38 2k25 s MET 9 Cb 0.06 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2k25 s MET 9 CO 0.77 0.38 -0.15 -0.65 -0.01 0.00 0.00 175.02 175.36 2k25 s GLN 10 N -0.05 1.10 0.27 2.03 -0.21 -1.25 -4.33 119.66 117.22 2k25 s GLN 10 Ca 0.00 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 2k25 s GLN 10 Cb -0.13 -1.10 -0.01 0.00 1.00 0.00 0.00 33.01 32.76 2k25 s GLN 10 CO 0.03 0.29 0.41 -1.50 -2.12 0.00 0.00 175.29 172.39 2k25 s ILE 11 N -0.62 0.00 -0.21 1.08 2.07 -0.88 -4.90 121.20 117.74 2k25 s ILE 11 Ca 0.04 -1.59 -0.07 0.00 -1.41 0.00 0.00 60.65 57.62 2k25 s ILE 11 Cb -0.07 -2.40 -0.03 0.00 0.13 0.00 0.00 42.46 40.09 2k25 s ILE 11 CO 0.01 0.00 0.06 -0.36 -1.91 0.00 0.00 174.94 172.74 2k25 s PHE 12 N -3.75 3.15 -0.03 3.50 0.08 -1.26 -3.77 117.98 115.89 2k25 s PHE 12 Ca 0.28 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.18 2k25 s PHE 12 Cb 0.01 -2.15 -0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2k25 s PHE 12 CO 0.13 -0.12 -0.13 0.08 -0.10 0.00 0.00 175.22 175.09 2k25 s VAL 13 N 1.00 1.04 -0.19 -0.44 1.01 -1.23 -3.07 120.40 118.53 2k25 s VAL 13 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2k25 s VAL 13 Cb -0.14 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.36 2k25 s VAL 13 CO 0.03 0.31 -0.19 -0.54 0.00 0.00 0.00 175.10 174.70 2k25 s LYS 14 N 0.02 2.93 1.02 2.72 -0.14 -1.26 -3.51 119.74 121.53 2k25 s LYS 14 Ca -0.01 -0.87 -0.17 0.00 -1.36 0.00 0.00 55.97 53.56 2k25 s LYS 14 Cb -0.09 -2.60 0.22 0.00 -1.68 0.00 0.00 37.83 33.69 2k25 s LYS 14 CO 0.01 -0.24 1.25 0.95 -0.76 0.00 0.00 175.35 176.56 2k25 s THR 15 N 1.28 1.88 -0.58 2.17 -4.23 -0.80 -4.72 115.64 110.64 2k25 s THR 15 Ca 0.04 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.80 2k25 s THR 15 Cb -0.14 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.16 2k25 s THR 15 CO -0.12 0.00 1.75 0.17 -0.54 0.00 0.00 174.62 175.87 2k25 h LEU 16 N -1.89 0.00 0.00 4.79 8.10 -1.90 -3.23 115.31 121.19 2k25 h LEU 16 Ca -0.45 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.18 2k25 h LEU 16 Cb 1.26 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.41 2k25 h LEU 16 CO 0.39 0.00 -2.26 1.07 -4.11 0.00 0.00 178.44 173.53 2k25 n THR 17 N -2.47 1.45 0.00 0.15 5.66 -1.26 -5.00 114.28 112.81 2k25 n THR 17 Ca 0.04 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 2k25 n THR 17 Cb 0.41 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 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 1.77 0.77 3.75 1.09 0.00 -1.22 -5.13 105.19 106.22 2k25 n GLY 18 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 2.84 -0.13 1.61 2.47 -1.26 -4.70 119.74 120.56 2k25 s LYS 19 Ca 0.00 1.90 0.03 0.00 -1.56 0.00 0.00 55.97 56.34 2k25 s LYS 19 Cb 0.00 -1.90 0.01 0.00 -1.46 0.00 0.00 37.83 34.48 2k25 s LYS 19 CO 0.00 -1.33 -0.22 0.95 0.16 0.00 0.00 175.35 174.91 2k25 s THR 20 N -1.53 2.09 -0.01 3.43 -4.23 -1.26 -1.91 115.64 112.23 2k25 s THR 20 Ca 0.79 -0.98 0.03 0.00 -1.18 0.00 0.00 61.69 60.35 2k25 s THR 20 Cb -0.33 -1.83 -0.00 0.00 1.34 0.00 0.00 72.50 71.68 2k25 s THR 20 CO 0.35 0.55 -0.09 0.27 -0.54 0.00 0.00 174.62 175.16 2k25 s ILE 21 N 0.74 0.73 0.24 2.99 -0.00 -1.23 -5.03 121.20 119.64 2k25 s ILE 21 Ca -0.09 -0.38 -0.30 0.00 -0.00 0.00 0.00 60.65 59.89 2k25 s ILE 21 Cb -0.16 -0.62 -0.09 0.00 -0.00 0.00 0.00 42.46 41.59 2k25 s ILE 21 CO -0.00 0.21 1.06 -0.89 -0.00 0.00 0.00 174.94 175.32 2k25 s THR 22 N -0.13 3.73 0.22 8.37 2.01 -1.26 -3.53 115.64 125.05 2k25 s THR 22 Ca 0.02 1.68 0.10 0.00 0.31 0.00 0.00 61.69 63.80 2k25 s THR 22 Cb -0.05 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2k25 s THR 22 CO -0.00 0.37 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.37 2k25 s LEU 23 N -1.11 2.54 0.05 4.42 2.01 -1.25 -4.30 118.68 121.03 2k25 s LEU 23 Ca 0.45 -0.98 -0.00 0.00 0.01 0.00 0.00 54.13 53.60 2k25 s LEU 23 Cb -0.30 -0.88 -0.04 0.00 0.01 0.00 0.00 46.19 44.98 2k25 s LEU 23 CO 0.37 -0.05 0.20 -0.70 1.01 0.00 0.00 176.35 177.18 2k25 s GLU 24 N -3.36 3.43 0.08 1.70 2.12 -1.26 -2.07 118.70 119.33 2k25 s GLU 24 Ca 0.23 -0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.20 2k25 s GLU 24 Cb -0.04 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 2k25 s GLU 24 CO 0.10 0.62 -0.16 0.14 -0.54 0.00 0.00 175.26 175.41 2k25 s VAL 25 N -1.47 1.30 0.00 3.70 -7.23 -1.26 -4.93 120.40 110.51 2k25 s VAL 25 Ca 0.33 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2k25 s VAL 25 Cb -0.13 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.59 2k25 s VAL 25 CO 0.26 -0.16 0.00 -0.62 -0.31 0.00 0.00 175.10 174.27 2k25 n GLU 26 N 1.24 0.00 0.21 4.82 1.02 -1.26 -4.90 120.64 121.77 2k25 n GLU 26 Ca -0.21 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.01 2k25 n GLU 26 Cb 0.54 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.42 2k25 n GLU 26 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2k25 h PRO 27 N 0.00 0.00 0.00 3.49 0.13 -1.98 -2.92 132.00 130.72 2k25 h PRO 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k25 h PRO 27 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k25 h PRO 27 CO 0.00 0.28 -1.08 -1.13 -0.23 0.00 0.00 178.00 175.84 2k25 n SER 28 N -3.59 0.86 -4.39 1.44 3.41 -1.26 -2.30 113.62 107.79 2k25 n SER 28 Ca -0.01 -0.84 -0.36 0.00 -0.26 0.00 0.00 58.87 57.40 2k25 n SER 28 Cb 0.41 1.13 -0.13 0.00 -0.26 0.00 0.00 64.21 65.36 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 -3.09 4.92 0.77 4.04 -1.08 -1.10 -4.95 116.67 116.18 2k25 s ASP 29 Ca 0.06 -0.38 -0.09 0.00 -0.52 0.00 0.00 52.55 51.62 2k25 s ASP 29 Cb 0.15 -1.87 0.09 0.00 -1.46 0.00 0.00 42.92 39.84 2k25 s ASP 29 CO 0.83 -0.07 1.10 0.28 0.52 0.00 0.00 175.17 177.83 2k25 s THR 30 N 1.55 2.15 0.59 1.71 -1.32 -1.26 -4.34 115.64 114.73 2k25 s THR 30 Ca 0.05 -0.19 0.29 0.00 -1.21 0.00 0.00 61.69 60.63 2k25 s THR 30 Cb -0.15 -2.96 0.37 0.00 -1.51 0.00 0.00 72.50 68.24 2k25 s THR 30 CO 0.02 0.00 1.99 0.40 -2.21 0.00 0.00 174.62 174.82 2k25 h ILE 31 N -0.87 0.40 -0.21 5.08 5.03 -1.83 -2.09 117.51 123.01 2k25 h ILE 31 Ca -0.44 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.36 2k25 h ILE 31 Cb 1.30 0.72 -0.07 0.00 -3.03 0.00 0.00 36.82 35.75 2k25 h ILE 31 CO 0.56 0.00 -0.31 -0.33 -0.68 0.00 0.00 178.15 177.39 2k25 h GLU 32 N 0.00 -0.33 0.19 2.37 4.39 -1.92 0.26 114.58 119.54 2k25 h GLU 32 Ca 0.15 0.02 -0.31 0.00 0.34 0.00 0.00 59.36 59.56 2k25 h GLU 32 Cb 0.83 0.07 0.03 0.00 -0.10 0.00 0.00 28.75 29.59 2k25 h GLU 32 CO -0.00 -0.22 -1.32 -0.97 -1.16 0.00 0.00 179.01 175.34 2k25 h ASN 33 N -0.34 0.84 -0.67 1.42 -0.73 -1.77 -3.27 115.58 111.06 2k25 h ASN 33 Ca 0.12 -0.88 0.15 0.00 1.87 0.00 0.00 56.30 57.56 2k25 h ASN 33 Cb 0.53 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.81 2k25 h ASN 33 CO -0.40 1.64 0.46 0.58 -0.37 0.00 0.00 177.43 179.34 2k25 h VAL 34 N 0.16 0.79 -0.68 2.57 2.07 -1.15 0.09 116.25 120.10 2k25 h VAL 34 Ca -0.22 -0.10 0.20 0.00 0.82 0.00 0.00 66.70 67.40 2k25 h VAL 34 Cb 2.01 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2k25 h VAL 34 CO 0.25 0.05 0.60 0.07 0.02 0.00 0.00 177.57 178.57 2k25 h LYS 35 N 0.29 0.00 -0.19 1.57 5.09 -0.54 0.39 116.57 123.17 2k25 h LYS 35 Ca 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.05 2k25 h LYS 35 Cb 0.87 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.19 2k25 h LYS 35 CO -0.08 0.00 0.05 0.00 -2.09 0.00 0.00 179.45 177.34 2k25 h ALA 36 N 1.43 0.25 -0.03 0.07 0.00 -1.18 0.37 119.26 120.18 2k25 h ALA 36 Ca 0.32 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k25 h ALA 36 Cb 1.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2k25 h ALA 36 CO -0.00 -0.11 -0.06 0.87 0.00 0.00 0.00 179.25 179.95 2k25 h LYS 37 N 0.13 -0.09 -0.03 0.00 6.56 -1.07 -2.33 116.57 119.74 2k25 h LYS 37 Ca 0.06 0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.56 2k25 h LYS 37 Cb 0.25 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 2k25 h LYS 37 CO -0.00 -0.06 -0.46 0.97 -2.06 0.00 0.00 179.45 177.84 2k25 h ILE 38 N -0.09 1.33 -0.24 1.86 -0.00 -1.49 -2.82 117.51 116.06 2k25 h ILE 38 Ca 0.03 -1.59 0.06 0.00 -0.00 0.00 0.00 64.86 63.36 2k25 h ILE 38 Cb 0.13 1.82 -0.01 0.00 -0.00 0.00 0.00 36.82 38.77 2k25 h ILE 38 CO -0.08 0.46 0.17 1.56 -0.00 0.00 0.00 178.15 180.26 2k25 h GLN 39 N 0.05 0.05 0.00 2.19 4.20 0.29 0.65 115.11 122.54 2k25 h GLN 39 Ca 0.00 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2k25 h GLN 39 Cb 0.83 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2k25 h GLN 39 CO 0.06 0.03 -0.46 0.22 -0.67 0.00 0.00 178.83 178.02 2k25 h ASP 40 N 0.05 0.00 0.09 1.46 1.82 -1.22 0.40 116.42 119.03 2k25 h ASP 40 Ca 0.11 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2k25 h ASP 40 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2k25 h ASP 40 CO -0.01 0.46 -0.05 0.11 -1.61 0.00 0.00 179.24 178.14 2k25 h LYS 41 N 0.00 -0.12 0.00 0.28 6.56 -0.96 -3.44 116.57 118.89 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 0.33 -0.71 -0.85 -2.06 0.00 0.00 179.45 176.21 2k25 n GLU 42 N -4.82 1.49 -0.17 3.15 0.00 -0.76 -4.68 120.64 114.85 2k25 n GLU 42 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.10 2k25 n GLU 42 Cb 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 31.44 30.83 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k25 n GLY 43 N 2.58 0.90 3.72 -1.84 0.00 0.13 -4.88 105.19 105.80 2k25 n GLY 43 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 3.62 0.31 -0.61 -1.09 -1.26 -4.89 121.20 115.28 2k25 s ILE 44 Ca 0.00 1.19 -0.29 0.00 -2.23 0.00 0.00 60.65 59.32 2k25 s ILE 44 Cb 0.00 -3.76 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 2k25 s ILE 44 CO 0.00 0.10 1.23 -2.16 -1.23 0.00 0.00 174.94 172.88 2k25 s PRO 45 N 0.92 4.45 0.32 2.79 0.04 -1.26 -4.61 135.00 137.65 2k25 s PRO 45 Ca 0.61 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.81 2k25 s PRO 45 Cb -0.33 -3.10 0.52 0.00 0.04 0.00 0.00 34.50 31.63 2k25 s PRO 45 CO 0.31 -0.04 1.71 -1.00 0.04 0.00 0.00 177.00 178.02 2k25 h PRO 46 N 3.51 0.04 -0.14 0.56 0.13 -1.91 0.49 132.00 134.67 2k25 h PRO 46 Ca -0.48 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k25 h PRO 46 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2k25 h PRO 46 CO 0.66 0.52 0.08 0.22 -0.23 0.00 0.00 178.00 179.25 2k25 h ASP 47 N 0.03 0.16 0.00 1.44 1.82 -1.97 -2.98 116.42 114.92 2k25 h ASP 47 Ca -0.00 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.48 2k25 h ASP 47 Cb 0.87 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.81 2k25 h ASP 47 CO 0.06 0.13 -1.78 0.00 -1.61 0.00 0.00 179.24 176.04 2k25 n GLN 48 N -4.51 1.37 -1.57 0.28 1.13 -1.12 -4.97 117.38 108.00 2k25 n GLN 48 Ca -0.01 -0.05 -0.52 0.00 -1.94 0.00 0.00 57.00 54.48 2k25 n GLN 48 Cb 0.09 -1.33 -0.06 0.00 0.11 0.00 0.00 30.24 29.05 2k25 n GLN 48 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2k25 n GLN 49 N -2.29 1.37 -2.41 -1.09 7.27 0.17 -4.76 117.38 115.64 2k25 n GLN 49 Ca -0.14 0.45 -0.40 0.00 0.07 0.00 0.00 57.00 56.97 2k25 n GLN 49 Cb 0.71 -2.42 -0.04 0.00 2.41 0.00 0.00 30.24 30.90 2k25 n GLN 49 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2k25 s ARG 50 N 5.01 4.58 -0.18 3.69 1.81 -1.26 -4.90 118.95 127.70 2k25 s ARG 50 Ca 1.03 1.87 -0.06 0.00 -1.72 0.00 0.00 55.73 56.85 2k25 s ARG 50 Cb -0.87 -3.18 -0.04 0.00 -0.45 0.00 0.00 34.95 30.41 2k25 s ARG 50 CO 0.54 0.11 0.03 -1.17 -0.68 0.00 0.00 175.30 174.13 2k25 s LEU 51 N -1.30 3.64 -0.11 2.53 1.98 -1.26 -2.99 118.68 121.17 2k25 s LEU 51 Ca 0.46 0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.70 2k25 s LEU 51 Cb -0.33 -1.91 0.03 0.00 0.66 0.00 0.00 46.19 44.64 2k25 s LEU 51 CO 0.42 0.17 -0.02 -0.63 -1.89 0.00 0.00 176.35 174.40 2k25 s ILE 52 N 0.40 0.64 -0.18 6.68 1.09 -1.17 -2.86 121.20 125.80 2k25 s ILE 52 Ca 0.01 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.40 2k25 s ILE 52 Cb -0.13 -0.82 0.04 0.00 -1.06 0.00 0.00 42.46 40.49 2k25 s ILE 52 CO 0.01 0.21 -0.09 0.12 -0.10 0.00 0.00 174.94 175.08 2k25 s PHE 53 N 1.85 2.12 -1.32 3.97 5.36 0.89 -3.32 117.98 127.55 2k25 s PHE 53 Ca 0.04 -1.35 -0.03 0.00 -0.96 0.00 0.00 56.93 54.62 2k25 s PHE 53 Cb -0.13 -1.52 0.02 0.00 -0.34 0.00 0.00 43.02 41.05 2k25 s PHE 53 CO -0.07 -0.68 0.25 0.00 -1.46 0.00 0.00 175.22 173.26 2k25 n ALA 54 N 4.77 -0.87 0.00 11.12 0.00 -1.26 -0.03 120.51 134.24 2k25 n ALA 54 Ca -0.14 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k25 n ALA 54 Cb 0.48 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 -1.07 3.20 3.66 0.00 0.00 -1.26 -5.01 105.19 104.70 2k25 n GLY 55 Ca -0.12 0.00 -0.37 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 -0.48 4.09 0.61 1.61 2.20 0.96 -5.05 119.74 123.69 2k25 s LYS 56 Ca 0.00 -0.13 -0.12 0.00 -0.36 0.00 0.00 55.97 55.35 2k25 s LYS 56 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2k25 s LYS 56 CO 0.00 0.01 1.03 1.14 -0.36 0.00 0.00 175.35 177.17 2k25 s GLN 57 N 1.20 3.54 0.48 4.03 0.00 -1.26 -0.07 119.66 127.58 2k25 s GLN 57 Ca 0.11 0.85 0.02 0.00 -0.00 0.00 0.00 55.36 56.33 2k25 s GLN 57 Cb -0.14 -2.07 0.09 0.00 0.00 0.00 0.00 33.01 30.89 2k25 s GLN 57 CO 0.06 -0.62 0.67 1.28 0.00 0.00 0.00 175.29 176.68 2k25 n LEU 58 N -2.56 0.00 0.00 2.60 7.99 -1.14 -4.88 117.00 119.02 2k25 n LEU 58 Ca 0.06 -1.55 0.00 0.00 -0.01 0.00 0.00 56.01 54.51 2k25 n LEU 58 Cb 0.54 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2k25 n LEU 58 CO 0.55 -0.79 0.00 1.21 -1.51 0.00 0.00 177.39 176.85 2k25 n GLU 59 N -2.19 0.00 -1.89 3.23 2.13 -1.26 -4.89 120.64 115.77 2k25 n GLU 59 Ca 0.12 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2k25 n GLU 59 Cb 0.42 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 31.75 2k25 n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k25 n ASP 60 N -1.78 1.48 -4.42 4.31 2.03 -1.26 -5.05 116.55 111.86 2k25 n ASP 60 Ca 0.00 -0.94 -0.44 0.00 0.52 0.00 0.00 54.79 53.93 2k25 n ASP 60 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2k25 n ASP 60 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k25 s GLY 61 N -0.94 1.67 0.31 0.27 0.00 -1.26 -5.00 107.32 102.36 2k25 s GLY 61 Ca 0.00 -2.22 0.03 0.00 0.00 0.00 0.00 44.72 42.53 2k25 s GLY 61 CO 0.00 1.86 0.06 -1.60 0.00 0.00 0.00 173.10 173.43 2k25 s ARG 62 N 3.18 1.59 0.62 2.90 6.06 -1.26 -4.65 118.95 127.39 2k25 s ARG 62 Ca 0.21 -1.87 -0.12 0.00 -2.50 0.00 0.00 55.73 51.44 2k25 s ARG 62 Cb -0.17 -0.73 -0.03 0.00 0.06 0.00 0.00 34.95 34.09 2k25 s ARG 62 CO 0.04 -0.21 1.04 0.95 -2.50 0.00 0.00 175.30 174.62 2k25 s THR 63 N -3.40 4.35 0.26 4.11 -4.23 -1.26 -4.07 115.64 111.39 2k25 s THR 63 Ca 0.37 0.86 0.02 0.00 -1.18 0.00 0.00 61.69 61.76 2k25 s THR 63 Cb 0.08 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.31 2k25 s THR 63 CO 0.15 -0.90 1.64 -0.07 -0.54 0.00 0.00 174.62 174.90 2k25 h LEU 64 N -0.14 0.43 -0.44 4.79 3.38 -1.73 -0.48 115.31 121.12 2k25 h LEU 64 Ca -0.45 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.16 2k25 h LEU 64 Cb 1.20 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2k25 h LEU 64 CO 0.60 0.80 -0.65 -1.28 0.09 0.00 0.00 178.44 178.00 2k25 h SER 65 N 0.34 0.58 -0.03 -0.43 0.87 -1.71 0.35 113.55 113.53 2k25 h SER 65 Ca 0.03 -0.34 -0.23 0.00 -1.23 0.00 0.00 61.79 60.01 2k25 h SER 65 Cb 0.87 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.67 2k25 h SER 65 CO 0.07 1.07 -0.90 -0.33 -0.53 0.00 0.00 176.83 176.22 2k25 h GLU 66 N 0.37 0.65 -0.00 2.24 4.39 -1.77 -3.19 114.58 117.27 2k25 h GLU 66 Ca -0.01 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.02 2k25 h GLU 66 Cb 1.21 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 2k25 h GLU 66 CO 0.12 1.27 -0.23 0.66 -1.16 0.00 0.00 179.01 179.66 2k25 n TYR 67 N -3.96 0.00 -1.40 4.33 4.02 -0.20 -4.91 117.16 115.04 2k25 n TYR 67 Ca -0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.65 2k25 n TYR 67 Cb 0.81 -0.25 -0.06 0.00 -0.02 0.00 0.00 39.34 39.82 2k25 n TYR 67 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2k25 n ASN 68 N -1.16 -5.37 -4.91 7.72 5.03 0.11 -4.96 115.26 111.72 2k25 n ASN 68 Ca 0.10 0.34 -0.27 0.00 0.87 0.00 0.00 54.58 55.63 2k25 n ASN 68 Cb 0.32 -4.09 -0.00 0.00 -1.02 0.00 0.00 39.78 34.98 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2k25 s ILE 69 N -2.28 4.88 -0.22 2.41 -4.36 -0.47 -4.98 121.20 116.17 2k25 s ILE 69 Ca 0.00 0.06 -0.02 0.00 -0.26 0.00 0.00 60.65 60.43 2k25 s ILE 69 Cb 0.00 -3.84 0.07 0.00 1.25 0.00 0.00 42.46 39.93 2k25 s ILE 69 CO 0.00 -0.77 0.04 -1.10 0.24 0.00 0.00 174.94 173.34 2k25 s GLN 70 N -4.67 0.77 -0.12 0.37 -0.21 -1.26 -4.60 119.66 109.94 2k25 s GLN 70 Ca 0.46 -0.59 0.17 0.00 0.02 0.00 0.00 55.36 55.42 2k25 s GLN 70 Cb -0.10 -2.13 0.27 0.00 1.00 0.00 0.00 33.01 32.05 2k25 s GLN 70 CO 0.43 -0.70 1.14 0.36 -2.12 0.00 0.00 175.29 174.40 2k25 n LYS 71 N 4.98 1.32 -1.09 2.91 -0.00 -1.26 -4.87 118.16 120.15 2k25 n LYS 71 Ca -0.08 -2.48 -0.31 0.00 -0.00 0.00 0.00 58.31 55.44 2k25 n LYS 71 Cb 0.46 -1.44 -0.04 0.00 -0.00 0.00 0.00 35.03 34.01 2k25 n LYS 71 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2k25 n GLU 72 N -1.35 3.01 0.00 -1.58 0.28 -1.26 -4.09 120.64 115.65 2k25 n GLU 72 Ca 0.15 -1.84 0.00 0.00 -0.16 0.00 0.00 57.16 55.31 2k25 n GLU 72 Cb 0.62 -2.61 0.00 0.00 1.43 0.00 0.00 31.44 30.89 2k25 n GLU 72 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2k25 n SER 73 N 3.68 0.00 -3.69 -1.84 7.64 -1.26 -5.12 113.62 113.04 2k25 n SER 73 Ca 0.64 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 60.25 2k25 n SER 73 Cb 0.25 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.00 0.30 -0.05 0.44 2.01 -1.26 -4.46 115.64 112.63 2k25 s THR 74 Ca 0.00 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2k25 s THR 74 Cb 0.00 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.66 2k25 s THR 74 CO 0.00 -0.23 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.39 2k25 s LEU 75 N 1.96 1.55 -0.29 4.42 1.98 -1.17 -4.69 118.68 122.43 2k25 s LEU 75 Ca 0.00 -0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.06 2k25 s LEU 75 Cb -0.17 -0.63 0.08 0.00 0.66 0.00 0.00 46.19 46.13 2k25 s LEU 75 CO -0.08 0.00 -0.04 -1.00 -1.89 0.00 0.00 176.35 173.34 2k25 s HIS 76 N 0.68 3.47 -0.34 5.38 3.76 -1.21 -3.93 115.29 123.09 2k25 s HIS 76 Ca -0.12 -2.58 -0.00 0.00 -0.15 0.00 0.00 55.06 52.21 2k25 s HIS 76 Cb -0.14 -2.34 0.11 0.00 1.11 0.00 0.00 32.58 31.32 2k25 s HIS 76 CO 0.02 -0.91 0.14 -0.48 -0.85 0.00 0.00 174.74 172.66 2k25 s LEU 77 N 1.03 2.26 -0.13 0.89 2.34 -1.26 -3.06 118.68 120.75 2k25 s LEU 77 Ca -0.01 -1.91 -0.09 0.00 0.06 0.00 0.00 54.13 52.18 2k25 s LEU 77 Cb -0.20 -0.87 0.04 0.00 -0.56 0.00 0.00 46.19 44.60 2k25 s LEU 77 CO -0.06 -0.37 0.32 -0.69 -1.06 0.00 0.00 176.35 174.49 2k25 s VAL 78 N 1.28 -0.02 -0.27 1.48 1.01 -1.16 -4.75 120.40 117.98 2k25 s VAL 78 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 2k25 s VAL 78 Cb -0.19 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.75 2k25 s VAL 78 CO -0.17 0.02 -0.04 -0.22 0.00 0.00 0.00 175.10 174.69 2k25 s LEU 79 N 0.73 3.45 -0.79 3.92 2.96 -1.26 -4.51 118.68 123.19 2k25 s LEU 79 Ca -0.05 -1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 52.83 2k25 s LEU 79 Cb -0.06 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.95 2k25 s LEU 79 CO -0.05 -0.18 0.63 -1.14 -1.32 0.00 0.00 176.35 174.30 2k25 n ARG 80 N 4.65 -1.51 -0.71 1.98 0.63 -1.26 -4.89 116.66 115.55 2k25 n ARG 80 Ca -0.15 1.01 -0.33 0.00 -0.92 0.00 0.00 57.85 57.45 2k25 n ARG 80 Cb 0.46 -3.31 0.15 0.00 0.45 0.00 0.00 32.46 30.21 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 -2.27 -2.30 -3.84 6.15 -0.00 -1.26 -5.04 117.00 108.44 2k25 n LEU 81 Ca -0.22 -0.08 -0.12 0.00 -0.00 0.00 0.00 56.01 55.59 2k25 n LEU 81 Cb 0.64 -0.92 -0.09 0.00 -0.00 0.00 0.00 43.42 43.04 2k25 n LEU 81 CO 0.60 -3.09 -0.11 0.00 -0.00 0.00 0.00 177.39 174.79 2k25 s ARG 82 N -3.30 0.56 -0.27 1.47 1.70 -1.26 -5.11 118.95 112.73 2k25 s ARG 82 Ca 0.54 -0.37 -0.29 0.00 -0.47 0.00 0.00 55.73 55.14 2k25 s ARG 82 Cb -0.10 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2k25 s ARG 82 CO 0.66 -0.14 1.79 0.20 -1.08 0.00 0.00 175.30 176.73 2k25 s GLY 83 N -1.45 0.92 0.39 3.88 0.00 -1.26 -4.88 107.32 104.92 2k25 s GLY 83 Ca -0.13 0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.94 2k25 s GLY 83 CO 0.02 3.24 0.69 -2.52 0.00 0.00 0.00 173.10 174.53 2k25 s TYR 84 N 6.41 3.50 -0.32 1.90 -0.85 -1.26 -5.03 117.35 121.69 2k25 s TYR 84 Ca 0.80 0.78 -0.00 0.00 -0.52 0.00 0.00 57.07 58.12 2k25 s TYR 84 Cb -0.25 -2.24 0.29 0.00 0.38 0.00 0.00 41.96 40.15 2k25 s TYR 84 CO 0.33 -0.05 1.31 0.00 -1.52 0.00 0.00 175.55 175.62 2k25 n ALA 85 N -1.54 -3.52 -3.40 9.51 0.00 -1.26 -5.13 120.51 115.17 2k25 n ALA 85 Ca -0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 2k25 n ALA 85 Cb 0.55 -3.28 -0.15 0.00 0.00 0.00 0.00 19.45 16.56 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 -0.17 0.10 -0.06 0.00 1.01 -1.26 -5.02 116.67 111.27 2k25 s ASP 86 Ca 0.24 0.01 0.16 0.00 0.71 0.00 0.00 52.55 53.67 2k25 s ASP 86 Cb 0.24 -0.06 -0.24 0.00 1.01 0.00 0.00 42.92 43.87 2k25 s ASP 86 CO -0.12 -0.07 0.28 0.18 0.21 0.00 0.00 175.17 175.65 2k25 n LEU 87 N 3.73 0.00 -0.05 1.23 4.32 -1.26 -4.55 117.00 120.42 2k25 n LEU 87 Ca -0.21 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.68 2k25 n LEU 87 Cb 0.54 0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 42.41 2k25 n LEU 87 CO 0.24 0.10 -0.82 -2.11 -1.22 0.00 0.00 177.39 173.58 2k25 n ARG 88 N -2.21 0.20 -1.83 3.23 1.85 -1.26 -4.94 116.66 111.70 2k25 n ARG 88 Ca -0.09 0.08 -0.39 0.00 -1.00 0.00 0.00 57.85 56.45 2k25 n ARG 88 Cb 0.59 -0.89 -0.03 0.00 -1.05 0.00 0.00 32.46 31.08 2k25 n ARG 88 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2k25 s GLU 89 N -2.17 2.61 0.13 2.89 2.12 -1.26 -4.89 118.70 118.12 2k25 s GLU 89 Ca -0.13 1.15 -0.24 0.00 0.36 0.00 0.00 54.97 56.12 2k25 s GLU 89 Cb 0.05 -4.42 0.07 0.00 0.26 0.00 0.00 34.13 30.09 2k25 s GLU 89 CO 0.17 -2.72 0.67 -0.51 -0.54 0.00 0.00 175.26 172.33 2k25 s ASP 90 N 9.19 -0.51 0.39 -1.70 1.01 -1.26 -4.80 116.67 119.00 2k25 s ASP 90 Ca 0.83 -0.03 -0.26 0.00 0.71 0.00 0.00 52.55 53.80 2k25 s ASP 90 Cb -0.18 0.56 -0.09 0.00 1.01 0.00 0.00 42.92 44.23 2k25 s ASP 90 CO 0.26 -0.92 1.19 -2.16 0.21 0.00 0.00 175.17 173.76 2k25 s PRO 91 N -3.62 4.08 -0.30 8.23 0.04 -1.26 -5.03 135.00 137.13 2k25 s PRO 91 Ca 0.02 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2k25 s PRO 91 Cb -0.01 -2.72 0.18 0.00 0.04 0.00 0.00 34.50 31.99 2k25 s PRO 91 CO -0.11 -0.32 1.17 0.34 0.04 0.00 0.00 177.00 178.12 2k25 s ASP 92 N -1.04 -0.25 0.00 6.66 2.15 -1.26 -4.95 116.67 117.97 2k25 s ASP 92 Ca 0.56 0.36 -0.00 0.00 0.43 0.00 0.00 52.55 53.90 2k25 s ASP 92 Cb -0.32 1.25 -0.00 0.00 -0.30 0.00 0.00 42.92 43.55 2k25 s ASP 92 CO 0.41 -0.05 -0.00 0.54 -0.17 0.00 0.00 175.17 175.89 2k25 n ARG 93 N 4.39 0.00 -3.89 4.34 5.12 -1.26 -5.16 116.66 120.20 2k25 n ARG 93 Ca -0.10 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.79 2k25 n ARG 93 Cb 0.55 -0.10 0.02 0.00 -1.16 0.00 0.00 32.46 31.77 2k25 n ARG 93 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2k25 s GLN 94 N -1.05 1.38 0.33 5.56 -2.07 -1.26 -5.19 119.66 117.35 2k25 s GLN 94 Ca -0.00 -0.90 -0.07 0.00 -1.82 0.00 0.00 55.36 52.57 2k25 s GLN 94 Cb 0.00 0.38 0.01 0.00 -1.09 0.00 0.00 33.01 32.31 2k25 s GLN 94 CO 0.00 -0.65 0.53 0.16 -1.32 0.00 0.00 175.29 174.01 2k25 s ASP 95 N -3.43 0.53 -0.09 12.60 1.47 -1.26 -5.17 116.67 121.33 2k25 s ASP 95 Ca 0.22 -1.30 0.02 0.00 1.18 0.00 0.00 52.55 52.67 2k25 s ASP 95 Cb -0.03 0.68 -0.02 0.00 -0.34 0.00 0.00 42.92 43.21 2k25 s ASP 95 CO 0.06 -1.33 -0.15 -2.28 0.68 0.00 0.00 175.17 172.16 2k25 s HIS 96 N -3.15 2.73 0.28 2.11 2.46 -1.26 -5.13 115.29 113.33 2k25 s HIS 96 Ca 0.26 -0.41 0.11 0.00 0.47 0.00 0.00 55.06 55.48 2k25 s HIS 96 Cb -0.01 -1.72 -0.05 0.00 -0.13 0.00 0.00 32.58 30.67 2k25 s HIS 96 CO 0.16 -0.02 -0.10 -1.01 -2.47 0.00 0.00 174.74 171.31 2k25 s HIS 97 N -0.22 2.50 1.23 3.88 3.76 -1.26 -5.14 115.29 120.04 2k25 s HIS 97 Ca 0.00 -0.29 -0.20 0.00 -0.15 0.00 0.00 55.06 54.43 2k25 s HIS 97 Cb -0.13 -1.11 0.30 0.00 1.11 0.00 0.00 32.58 32.74 2k25 s HIS 97 CO 0.03 0.66 1.11 -1.25 -0.85 0.00 0.00 174.74 174.44 2k25 s PRO 98 N -3.60 -1.46 0.00 8.40 0.04 -1.26 -5.09 135.00 132.02 2k25 s PRO 98 Ca 0.31 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2k25 s PRO 98 Cb -0.05 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2k25 s PRO 98 CO 0.18 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 173.77 2k25 n GLY 99 N -0.94 6.11 3.31 0.56 0.00 -1.26 -5.17 105.19 107.79 2k25 n GLY 99 Ca 0.14 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 0.07 1.35 0.00 1.61 1.04 -1.26 -5.17 113.70 111.33 2k25 s SER 100 Ca 0.00 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2k25 s SER 100 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2k25 s SER 100 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2k25 n GLY 101 N -0.43 1.87 3.64 7.32 0.00 -1.26 -5.14 105.19 111.18 2k25 n GLY 101 Ca -0.02 -2.04 -0.04 0.00 0.00 0.00 0.00 46.02 43.91 2k25 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k25 s ALA 102 N -2.03 -1.97 -2.22 4.61 0.00 -1.26 -5.37 121.76 113.51 2k25 s ALA 102 Ca 0.00 2.39 0.30 0.00 0.00 0.00 0.00 51.96 54.65 2k25 s ALA 102 Cb 0.00 -1.58 1.53 0.00 0.00 0.00 0.00 23.12 23.06 2k25 s ALA 102 CO 0.00 -0.60 2.01 0.00 0.00 0.00 0.00 175.76 177.17