#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 -0.94 0.70 1.61 0.01 -1.26 -5.13 113.70 108.69 2k25 s SER 2 Ca 0.00 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.54 2k25 s SER 2 Cb 0.00 1.81 0.02 0.00 0.21 0.00 0.00 66.02 68.06 2k25 s SER 2 CO 0.00 -0.23 1.26 -1.48 0.41 0.00 0.00 173.24 173.20 2k25 s LEU 3 N 2.39 3.43 0.57 2.44 0.05 -1.24 -4.98 118.68 121.34 2k25 s LEU 3 Ca -0.07 2.52 -0.16 0.00 0.05 0.00 0.00 54.13 56.46 2k25 s LEU 3 Cb -0.10 -4.61 -0.05 0.00 -2.05 0.00 0.00 46.19 39.39 2k25 s LEU 3 CO -0.18 -2.20 1.04 0.68 -0.55 0.00 0.00 176.35 175.14 2k25 s VAL 4 N -1.67 3.96 0.04 1.48 -7.23 -1.26 -4.99 120.40 110.73 2k25 s VAL 4 Ca 0.79 0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 61.71 2k25 s VAL 4 Cb -0.34 -3.46 -0.14 0.00 0.56 0.00 0.00 36.38 33.00 2k25 s VAL 4 CO 0.43 -0.53 1.35 1.55 -0.31 0.00 0.00 175.10 177.59 2k25 h PRO 5 N 0.60 0.38 -4.30 4.82 0.13 -2.05 -3.46 132.00 128.11 2k25 h PRO 5 Ca -0.47 -0.20 -0.16 0.00 -0.87 0.00 0.00 66.00 64.30 2k25 h PRO 5 Cb 1.21 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 2k25 h PRO 5 CO 0.58 0.76 -0.69 -0.98 -0.23 0.00 0.00 178.00 177.44 2k25 s ARG 6 N -4.31 0.60 0.00 0.86 3.03 -1.26 -5.16 118.95 112.71 2k25 s ARG 6 Ca -0.14 -1.10 0.00 0.00 2.03 0.00 0.00 55.73 56.52 2k25 s ARG 6 Cb 0.05 0.07 0.00 0.00 -1.03 0.00 0.00 34.95 34.04 2k25 s ARG 6 CO 0.76 -0.07 0.00 0.41 -1.13 0.00 0.00 175.30 175.27 2k25 n GLY 7 N 0.44 2.46 0.95 3.88 0.00 -1.26 -5.08 105.19 106.59 2k25 n GLY 7 Ca -0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.59 -4.52 1.61 7.64 -1.26 -4.89 113.62 112.80 2k25 n SER 8 Ca 0.00 0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.62 2k25 n SER 8 Cb 0.00 -0.20 -0.12 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.54 3.60 0.02 1.43 -1.94 -1.26 -5.10 119.30 114.51 2k25 s MET 9 Ca -0.01 -0.51 0.04 0.00 -1.71 0.00 0.00 55.69 53.49 2k25 s MET 9 Cb 0.00 -2.90 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 2k25 s MET 9 CO 0.02 0.29 -0.11 -0.65 -0.01 0.00 0.00 175.02 174.55 2k25 s GLN 10 N 0.23 0.82 0.29 2.03 -0.21 -1.25 -4.27 119.66 117.30 2k25 s GLN 10 Ca -0.02 -0.55 -0.05 0.00 0.02 0.00 0.00 55.36 54.76 2k25 s GLN 10 Cb -0.14 -0.78 -0.01 0.00 1.00 0.00 0.00 33.01 33.08 2k25 s GLN 10 CO 0.03 0.20 0.41 -1.50 -2.12 0.00 0.00 175.29 172.31 2k25 s ILE 11 N -0.58 0.00 -0.24 1.08 2.07 -0.88 -4.84 121.20 117.81 2k25 s ILE 11 Ca 0.01 -1.63 -0.08 0.00 -1.41 0.00 0.00 60.65 57.55 2k25 s ILE 11 Cb -0.06 -2.48 -0.03 0.00 0.13 0.00 0.00 42.46 40.01 2k25 s ILE 11 CO 0.00 0.00 0.08 0.12 -1.91 0.00 0.00 174.94 173.24 2k25 s PHE 12 N -3.54 3.13 -0.04 3.50 2.19 -1.26 -4.19 117.98 117.77 2k25 s PHE 12 Ca 0.30 -0.27 0.01 0.00 0.33 0.00 0.00 56.93 57.31 2k25 s PHE 12 Cb 0.01 -2.22 0.02 0.00 -1.31 0.00 0.00 43.02 39.51 2k25 s PHE 12 CO 0.16 -0.24 -0.05 0.08 1.83 0.00 0.00 175.22 176.99 2k25 s VAL 13 N 1.41 0.56 -0.17 3.12 1.01 -1.25 -2.92 120.40 122.16 2k25 s VAL 13 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2k25 s VAL 13 Cb -0.15 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.68 2k25 s VAL 13 CO 0.04 0.22 -0.20 -0.54 0.00 0.00 0.00 175.10 174.62 2k25 s LYS 14 N 0.77 3.01 0.69 2.72 -0.14 -1.26 -3.22 119.74 122.30 2k25 s LYS 14 Ca -0.11 -0.83 -0.12 0.00 -1.36 0.00 0.00 55.97 53.55 2k25 s LYS 14 Cb -0.13 -2.54 0.16 0.00 -1.68 0.00 0.00 37.83 33.64 2k25 s LYS 14 CO 0.00 -0.15 0.82 0.25 -0.76 0.00 0.00 175.35 175.52 2k25 n THR 15 N 4.45 0.00 0.09 2.17 -2.24 -0.27 -4.71 114.28 113.77 2k25 n THR 15 Ca -0.21 -0.54 -0.08 0.00 -2.27 0.00 0.00 64.05 60.96 2k25 n THR 15 Cb 0.50 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 0.04 3.22 3.38 -1.88 -3.25 115.31 117.02 2k25 h LEU 16 Ca -0.28 -0.17 -0.25 0.00 0.09 0.00 0.00 57.88 57.27 2k25 h LEU 16 Cb 0.79 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2k25 h LEU 16 CO 0.19 0.96 -1.29 0.00 0.09 0.00 0.00 178.44 178.40 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 -0.04 -3.10 0.00 0.00 -0.01 0.00 0.00 66.41 63.26 2k25 h THR 17 Cb 1.47 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 71.30 2k25 h THR 17 CO 0.13 0.83 0.00 0.61 -0.01 0.00 0.00 175.52 177.08 2k25 n GLY 18 N 1.48 0.80 3.76 2.99 0.00 -1.23 -5.12 105.19 107.87 2k25 n GLY 18 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 3.55 -0.09 1.61 2.47 -1.26 -4.62 119.74 121.40 2k25 s LYS 19 Ca 0.00 2.23 0.03 0.00 -1.56 0.00 0.00 55.97 56.67 2k25 s LYS 19 Cb 0.00 -2.50 -0.01 0.00 -1.46 0.00 0.00 37.83 33.85 2k25 s LYS 19 CO 0.00 -0.86 -0.18 0.99 0.16 0.00 0.00 175.35 175.47 2k25 s THR 20 N -1.29 2.68 -0.03 3.43 2.01 -1.26 -1.11 115.64 120.07 2k25 s THR 20 Ca 0.64 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2k25 s THR 20 Cb -0.40 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2k25 s THR 20 CO 0.49 0.56 -0.08 0.27 -0.69 0.00 0.00 174.62 175.17 2k25 s ILE 21 N -0.02 0.71 -0.22 1.82 -0.00 -1.20 -5.03 121.20 117.26 2k25 s ILE 21 Ca -0.05 -0.29 -0.29 0.00 -0.00 0.00 0.00 60.65 60.02 2k25 s ILE 21 Cb -0.14 -0.66 0.01 0.00 -0.00 0.00 0.00 42.46 41.66 2k25 s ILE 21 CO 0.04 0.24 1.03 -0.89 -0.00 0.00 0.00 174.94 175.37 2k25 s THR 22 N 0.44 4.69 0.26 8.37 2.01 -1.26 -3.88 115.64 126.27 2k25 s THR 22 Ca -0.07 2.02 0.11 0.00 0.31 0.00 0.00 61.69 64.06 2k25 s THR 22 Cb -0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2k25 s THR 22 CO 0.01 -0.17 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.89 2k25 s LEU 23 N 3.11 2.84 0.24 4.42 1.43 -1.26 -4.50 118.68 124.96 2k25 s LEU 23 Ca 0.44 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2k25 s LEU 23 Cb -0.15 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 2k25 s LEU 23 CO 0.07 0.04 0.55 -1.83 0.23 0.00 0.00 176.35 175.40 2k25 s GLU 24 N -3.45 3.76 0.00 1.70 -1.05 -1.26 -2.07 118.70 116.35 2k25 s GLU 24 Ca 0.29 0.22 -0.09 0.00 -0.15 0.00 0.00 54.97 55.24 2k25 s GLU 24 Cb -0.06 -2.65 0.01 0.00 -0.44 0.00 0.00 34.13 30.98 2k25 s GLU 24 CO 0.16 0.30 0.18 0.54 0.95 0.00 0.00 175.26 177.39 2k25 s VAL 25 N -1.86 0.08 -0.09 1.83 0.11 -1.26 -4.71 120.40 114.50 2k25 s VAL 25 Ca 0.47 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2k25 s VAL 25 Cb -0.11 -0.54 0.11 0.00 -1.53 0.00 0.00 36.38 34.32 2k25 s VAL 25 CO 0.23 -0.38 0.95 -1.61 -3.33 0.00 0.00 175.10 170.96 2k25 s GLU 26 N -1.55 0.70 0.35 1.54 2.02 -1.26 -4.95 118.70 115.56 2k25 s GLU 26 Ca -0.13 -0.07 0.14 0.00 0.02 0.00 0.00 54.97 54.93 2k25 s GLU 26 Cb -0.06 0.32 0.65 0.00 0.10 0.00 0.00 34.13 35.15 2k25 s GLU 26 CO 0.01 -0.27 1.76 -1.00 0.02 0.00 0.00 175.26 175.79 2k25 h PRO 27 N 2.29 0.00 0.00 0.39 0.13 -2.00 -3.12 132.00 129.70 2k25 h PRO 27 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2k25 h PRO 27 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k25 h PRO 27 CO 0.31 0.43 -1.28 -1.13 -0.23 0.00 0.00 178.00 176.10 2k25 n SER 28 N -3.85 0.90 -4.77 1.44 3.41 -1.26 -1.57 113.62 107.92 2k25 n SER 28 Ca -0.01 -0.47 -0.37 0.00 -0.26 0.00 0.00 58.87 57.76 2k25 n SER 28 Cb 0.48 1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 65.74 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 -3.27 6.48 0.51 4.04 -1.08 -1.18 -4.91 116.67 117.26 2k25 s ASP 29 Ca 0.00 0.56 0.09 0.00 -0.52 0.00 0.00 52.55 52.68 2k25 s ASP 29 Cb 0.12 -2.17 0.05 0.00 -1.46 0.00 0.00 42.92 39.46 2k25 s ASP 29 CO 0.71 0.20 0.65 0.28 0.52 0.00 0.00 175.17 177.52 2k25 s THR 30 N -0.07 2.36 0.58 1.71 -1.32 -1.26 -4.11 115.64 113.54 2k25 s THR 30 Ca 0.17 -1.09 0.29 0.00 -1.21 0.00 0.00 61.69 59.85 2k25 s THR 30 Cb -0.13 -2.45 0.40 0.00 -1.51 0.00 0.00 72.50 68.80 2k25 s THR 30 CO 0.05 0.00 1.86 0.40 -2.21 0.00 0.00 174.62 174.72 2k25 h ILE 31 N 0.45 0.36 -0.39 5.08 1.08 -1.90 -1.50 117.51 120.70 2k25 h ILE 31 Ca -0.34 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.21 2k25 h ILE 31 Cb 1.29 0.57 -0.09 0.00 -3.07 0.00 0.00 36.82 35.52 2k25 h ILE 31 CO 0.45 0.00 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.37 2k25 h GLU 32 N 0.00 -0.15 0.00 2.37 5.08 -1.93 0.97 114.58 120.92 2k25 h GLU 32 Ca 0.26 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2k25 h GLU 32 Cb 1.37 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2k25 h GLU 32 CO -0.00 -0.10 -0.33 -0.91 -1.00 0.00 0.00 179.01 176.67 2k25 h ASN 33 N -0.15 0.00 0.08 1.42 4.21 -1.66 -2.59 115.58 116.89 2k25 h ASN 33 Ca 0.19 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.64 2k25 h ASN 33 Cb 0.45 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 2k25 h ASN 33 CO -0.48 0.33 -0.19 0.58 -1.29 0.00 0.00 177.43 176.39 2k25 h VAL 34 N 0.00 1.20 -0.74 2.81 2.07 -0.85 -2.52 116.25 118.21 2k25 h VAL 34 Ca -0.00 -0.91 0.22 0.00 0.82 0.00 0.00 66.70 66.82 2k25 h VAL 34 Cb 0.61 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2k25 h VAL 34 CO 0.04 0.28 0.62 0.11 0.02 0.00 0.00 177.57 178.64 2k25 h LYS 35 N 0.19 0.00 0.00 1.57 1.57 -0.79 0.20 116.57 119.31 2k25 h LYS 35 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2k25 h LYS 35 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2k25 h LYS 35 CO 0.03 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 178.76 2k25 h ALA 36 N 1.45 0.02 -0.00 3.86 0.00 -1.62 -2.26 119.26 120.70 2k25 h ALA 36 Ca 0.35 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k25 h ALA 36 Cb 1.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2k25 h ALA 36 CO -0.00 0.01 0.00 0.87 0.00 0.00 0.00 179.25 180.13 2k25 h LYS 37 N -0.63 0.01 -0.04 0.00 1.79 -1.14 -2.43 116.57 114.13 2k25 h LYS 37 Ca -0.02 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2k25 h LYS 37 Cb 0.94 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2k25 h LYS 37 CO 0.03 0.26 -0.05 0.97 -1.08 0.00 0.00 179.45 179.58 2k25 h ILE 38 N -0.25 1.07 -0.19 1.86 -0.00 -0.83 -1.70 117.51 117.47 2k25 h ILE 38 Ca 0.00 -0.30 -0.12 0.00 -0.00 0.00 0.00 64.86 64.44 2k25 h ILE 38 Cb 0.26 1.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.17 2k25 h ILE 38 CO 0.00 0.09 -0.39 -0.61 -0.00 0.00 0.00 178.15 177.24 2k25 h GLN 39 N 0.06 0.42 0.00 2.19 4.15 -1.18 -2.21 115.11 118.55 2k25 h GLN 39 Ca 0.01 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.10 2k25 h GLN 39 Cb 0.14 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2k25 h GLN 39 CO 0.01 0.75 -0.61 0.22 -1.93 0.00 0.00 178.83 177.27 2k25 h ASP 40 N 0.35 0.00 0.20 -0.69 1.82 -0.84 -0.07 116.42 117.20 2k25 h ASP 40 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2k25 h ASP 40 Cb 0.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2k25 h ASP 40 CO 0.07 0.61 -0.10 0.11 -1.61 0.00 0.00 179.24 178.32 2k25 h LYS 41 N 0.00 -0.26 0.00 0.28 6.56 -1.16 -3.34 116.57 118.64 2k25 h LYS 41 Ca -0.01 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2k25 h LYS 41 Cb 1.30 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 2k25 h LYS 41 CO 0.08 0.11 -0.66 0.39 -2.06 0.00 0.00 179.45 177.31 2k25 n GLU 42 N -4.96 1.15 -0.50 3.15 1.02 -0.87 -3.26 120.64 116.38 2k25 n GLU 42 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2k25 n GLU 42 Cb 0.25 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 2k25 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k25 n GLY 43 N 2.52 1.31 3.77 0.62 0.00 -0.04 -4.83 105.19 108.54 2k25 n GLY 43 Ca 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 3.14 -0.23 -0.61 1.09 -1.26 -4.93 121.20 116.40 2k25 s ILE 44 Ca 0.00 1.00 -0.29 0.00 -1.10 0.00 0.00 60.65 60.27 2k25 s ILE 44 Cb 0.00 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 2k25 s ILE 44 CO 0.00 0.13 1.62 -2.16 -0.10 0.00 0.00 174.94 174.43 2k25 s PRO 45 N -2.13 3.76 0.55 2.79 0.04 -1.26 -4.70 135.00 134.05 2k25 s PRO 45 Ca 0.54 1.62 0.34 0.00 0.04 0.00 0.00 61.00 63.54 2k25 s PRO 45 Cb -0.32 -4.04 1.41 0.00 0.04 0.00 0.00 34.50 31.59 2k25 s PRO 45 CO 0.41 -1.34 2.00 -1.00 0.04 0.00 0.00 177.00 177.11 2k25 h PRO 46 N 10.86 0.00 -0.79 0.56 0.13 -1.92 0.86 132.00 141.70 2k25 h PRO 46 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2k25 h PRO 46 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2k25 h PRO 46 CO 1.01 0.01 0.40 -0.44 -0.23 0.00 0.00 178.00 178.74 2k25 h ASP 47 N 0.00 1.01 0.00 1.44 3.32 -2.02 -3.12 116.42 117.04 2k25 h ASP 47 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2k25 h ASP 47 Cb 0.49 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2k25 h ASP 47 CO 0.00 0.84 -1.16 0.00 -1.72 0.00 0.00 179.24 177.20 2k25 n GLN 48 N -4.33 1.45 -1.59 3.56 1.13 -1.14 -5.01 117.38 111.46 2k25 n GLN 48 Ca 0.08 -0.07 -0.50 0.00 -1.94 0.00 0.00 57.00 54.58 2k25 n GLN 48 Cb 0.13 -1.22 -0.05 0.00 0.11 0.00 0.00 30.24 29.21 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 -1.67 1.22 -2.76 -1.09 7.27 0.28 -4.90 117.38 115.75 2k25 n GLN 49 Ca -0.00 0.44 -0.22 0.00 0.07 0.00 0.00 57.00 57.28 2k25 n GLN 49 Cb 0.28 -1.99 0.03 0.00 2.41 0.00 0.00 30.24 30.96 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 -0.09 2.76 -0.06 3.69 0.52 -1.26 -4.95 118.95 119.56 2k25 s ARG 50 Ca 0.76 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2k25 s ARG 50 Cb -0.87 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2k25 s ARG 50 CO 0.50 -0.55 -0.15 -0.51 0.02 0.00 0.00 175.30 174.61 2k25 s LEU 51 N -4.70 1.78 -0.10 2.53 1.02 -1.26 -3.80 118.68 114.15 2k25 s LEU 51 Ca 0.54 -0.34 -0.01 0.00 0.02 0.00 0.00 54.13 54.34 2k25 s LEU 51 Cb -0.10 -0.92 0.03 0.00 0.02 0.00 0.00 46.19 45.22 2k25 s LEU 51 CO 0.39 0.08 -0.04 -0.63 0.02 0.00 0.00 176.35 176.17 2k25 s ILE 52 N 0.42 0.74 -0.17 -0.59 1.09 -1.04 -2.82 121.20 118.84 2k25 s ILE 52 Ca -0.11 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.31 2k25 s ILE 52 Cb -0.14 -0.83 0.03 0.00 -1.06 0.00 0.00 42.46 40.46 2k25 s ILE 52 CO 0.04 0.30 -0.11 0.12 -0.10 0.00 0.00 174.94 175.19 2k25 s PHE 53 N 1.82 2.11 -1.29 3.97 5.36 0.93 -2.48 117.98 128.40 2k25 s PHE 53 Ca 0.05 -1.28 -0.03 0.00 -0.96 0.00 0.00 56.93 54.70 2k25 s PHE 53 Cb -0.13 -1.53 0.02 0.00 -0.34 0.00 0.00 43.02 41.05 2k25 s PHE 53 CO -0.07 -0.67 0.23 0.00 -1.46 0.00 0.00 175.22 173.25 2k25 n ALA 54 N 4.78 -0.86 0.00 11.12 0.00 -1.26 -0.07 120.51 134.21 2k25 n ALA 54 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k25 n ALA 54 Cb 0.48 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.05 3.12 3.66 0.00 0.00 -1.26 -5.01 105.19 104.65 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 -0.38 4.09 0.53 1.61 2.47 0.90 -5.04 119.74 123.90 2k25 s LYS 56 Ca 0.00 -0.16 -0.17 0.00 -1.56 0.00 0.00 55.97 54.08 2k25 s LYS 56 Cb 0.00 -3.55 -0.07 0.00 -1.46 0.00 0.00 37.83 32.75 2k25 s LYS 56 CO 0.00 0.02 1.00 1.14 0.16 0.00 0.00 175.35 177.67 2k25 s GLN 57 N 1.17 3.84 0.50 4.03 0.00 -1.26 -0.05 119.66 127.89 2k25 s GLN 57 Ca 0.10 1.01 -0.01 0.00 -0.00 0.00 0.00 55.36 56.46 2k25 s GLN 57 Cb -0.14 -2.12 0.10 0.00 0.00 0.00 0.00 33.01 30.85 2k25 s GLN 57 CO 0.06 -0.36 0.68 1.28 0.00 0.00 0.00 175.29 176.95 2k25 n LEU 58 N -1.61 0.00 0.00 2.60 7.99 -1.13 -4.88 117.00 119.97 2k25 n LEU 58 Ca 0.07 -1.33 0.00 0.00 -0.01 0.00 0.00 56.01 54.74 2k25 n LEU 58 Cb 0.54 -0.45 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2k25 n LEU 58 CO 0.46 -0.86 0.00 -0.62 -1.51 0.00 0.00 177.39 174.86 2k25 n GLU 59 N -2.29 0.00 -3.11 3.23 1.02 -1.26 -4.87 120.64 113.37 2k25 n GLU 59 Ca 0.11 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.06 2k25 n GLU 59 Cb 0.39 -0.13 0.02 0.00 -0.02 0.00 0.00 31.44 31.69 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 -1.92 2.17 -4.30 1.62 9.92 -1.26 -5.06 116.55 117.71 2k25 n ASP 60 Ca 0.00 -2.44 -0.44 0.00 -0.53 0.00 0.00 54.79 51.39 2k25 n ASP 60 Cb 0.00 -0.15 -0.07 0.00 -0.64 0.00 0.00 41.12 40.26 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 -3.90 2.05 0.29 0.44 0.00 -1.26 -5.05 107.32 99.90 2k25 s GLY 61 Ca 0.35 -2.39 0.03 0.00 0.00 0.00 0.00 44.72 42.71 2k25 s GLY 61 CO 0.22 1.11 0.05 0.50 0.00 0.00 0.00 173.10 174.99 2k25 s ARG 62 N 1.53 1.55 0.60 2.90 1.81 -1.26 -4.87 118.95 121.21 2k25 s ARG 62 Ca 0.04 -1.84 -0.14 0.00 -1.72 0.00 0.00 55.73 52.07 2k25 s ARG 62 Cb -0.27 -0.71 -0.04 0.00 -0.45 0.00 0.00 34.95 33.49 2k25 s ARG 62 CO 0.03 -0.19 1.03 0.95 -0.68 0.00 0.00 175.30 176.44 2k25 s THR 63 N -3.41 4.28 0.07 0.02 -4.23 -1.26 -4.43 115.64 106.68 2k25 s THR 63 Ca 0.35 0.92 0.17 0.00 -1.18 0.00 0.00 61.69 61.95 2k25 s THR 63 Cb 0.08 -3.60 0.10 0.00 1.34 0.00 0.00 72.50 70.43 2k25 s THR 63 CO 0.14 -0.80 1.64 -0.07 -0.54 0.00 0.00 174.62 174.99 2k25 h LEU 64 N 0.12 0.00 -0.13 4.79 3.38 -1.77 -1.91 115.31 119.78 2k25 h LEU 64 Ca -0.45 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.38 2k25 h LEU 64 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k25 h LEU 64 CO 0.59 0.43 -0.45 -1.28 0.09 0.00 0.00 178.44 177.82 2k25 h SER 65 N 0.00 0.63 0.53 -0.43 0.87 -1.60 0.33 113.55 113.88 2k25 h SER 65 Ca -0.00 -0.61 -0.18 0.00 -1.23 0.00 0.00 61.79 59.77 2k25 h SER 65 Cb 1.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2k25 h SER 65 CO 0.06 1.13 -0.79 1.05 -0.53 0.00 0.00 176.83 177.75 2k25 h GLU 66 N 0.17 0.19 -0.00 2.24 4.11 -1.80 -3.08 114.58 116.42 2k25 h GLU 66 Ca -0.02 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.23 2k25 h GLU 66 Cb 1.08 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2k25 h GLU 66 CO 0.10 0.88 -0.40 0.98 0.07 0.00 0.00 179.01 180.64 2k25 n TYR 67 N -3.72 0.00 -3.00 2.06 4.19 -0.72 -4.93 117.16 111.03 2k25 n TYR 67 Ca -0.03 0.00 -0.17 0.00 3.31 0.00 0.00 57.90 61.01 2k25 n TYR 67 Cb 0.74 -0.20 -0.01 0.00 0.49 0.00 0.00 39.34 40.37 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 -1.18 -3.38 -4.96 2.98 2.85 0.11 -4.93 115.26 106.76 2k25 n ASN 68 Ca 0.08 -0.12 -0.22 0.00 -0.11 0.00 0.00 54.58 54.21 2k25 n ASN 68 Cb 0.34 -2.85 -0.02 0.00 1.24 0.00 0.00 39.78 38.50 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 -2.72 5.14 -1.13 -1.44 -4.36 -0.94 -5.03 121.20 110.70 2k25 s ILE 69 Ca 0.24 -0.80 -0.05 0.00 -0.26 0.00 0.00 60.65 59.77 2k25 s ILE 69 Cb -0.13 -3.84 0.27 0.00 1.25 0.00 0.00 42.46 40.02 2k25 s ILE 69 CO 0.29 -0.40 1.67 0.00 0.24 0.00 0.00 174.94 176.74 2k25 n GLN 70 N -1.56 4.41 -0.70 0.37 6.02 -1.26 -4.68 117.38 119.97 2k25 n GLN 70 Ca -0.07 -4.27 0.09 0.00 -0.01 0.00 0.00 57.00 52.74 2k25 n GLN 70 Cb 0.57 -2.61 0.38 0.00 1.02 0.00 0.00 30.24 29.60 2k25 n GLN 70 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k25 n LYS 71 N 1.77 4.07 -2.08 -1.09 5.02 -1.26 -4.46 118.16 120.13 2k25 n LYS 71 Ca 0.33 -2.97 -0.34 0.00 -2.02 0.00 0.00 58.31 53.32 2k25 n LYS 71 Cb 0.33 -2.01 0.03 0.00 -0.02 0.00 0.00 35.03 33.36 2k25 n LYS 71 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2k25 n GLU 72 N 1.03 3.06 0.00 1.97 0.28 -1.26 -4.72 120.64 120.99 2k25 n GLU 72 Ca 0.27 -3.91 0.00 0.00 -0.16 0.00 0.00 57.16 53.35 2k25 n GLU 72 Cb 0.98 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.59 2k25 n GLU 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k25 n SER 73 N -0.57 0.00 -3.72 -1.84 2.88 -1.26 -5.10 113.62 104.01 2k25 n SER 73 Ca 0.49 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.75 2k25 n SER 73 Cb 0.48 0.04 -0.16 0.00 -0.75 0.00 0.00 64.21 63.82 2k25 n SER 73 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k25 s THR 74 N -0.26 0.50 -0.01 2.46 2.01 -1.26 -4.44 115.64 114.64 2k25 s THR 74 Ca 0.00 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.42 2k25 s THR 74 Cb 0.00 -1.06 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 2k25 s THR 74 CO 0.00 -0.27 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.79 2k25 s LEU 75 N 1.86 2.03 -0.24 4.42 2.01 -1.15 -4.40 118.68 123.22 2k25 s LEU 75 Ca 0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 54.13 53.92 2k25 s LEU 75 Cb -0.17 -0.56 0.07 0.00 0.01 0.00 0.00 46.19 45.54 2k25 s LEU 75 CO -0.10 0.12 0.02 -1.00 1.01 0.00 0.00 176.35 176.40 2k25 s HIS 76 N -0.30 1.80 -0.35 0.29 3.76 -1.03 -3.76 115.29 115.70 2k25 s HIS 76 Ca 0.04 -1.47 0.01 0.00 -0.15 0.00 0.00 55.06 53.48 2k25 s HIS 76 Cb -0.04 -1.46 0.11 0.00 1.11 0.00 0.00 32.58 32.29 2k25 s HIS 76 CO -0.00 -0.74 0.13 -0.48 -0.85 0.00 0.00 174.74 172.79 2k25 s LEU 77 N 1.59 2.71 -0.12 0.89 2.34 -1.26 -2.50 118.68 122.33 2k25 s LEU 77 Ca -0.00 -1.95 -0.06 0.00 0.06 0.00 0.00 54.13 52.17 2k25 s LEU 77 Cb -0.18 -1.02 0.05 0.00 -0.56 0.00 0.00 46.19 44.49 2k25 s LEU 77 CO -0.11 -0.37 0.29 -0.69 -1.06 0.00 0.00 176.35 174.41 2k25 s VAL 78 N 1.21 -0.07 -0.28 1.48 1.01 -1.25 -4.83 120.40 117.66 2k25 s VAL 78 Ca 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 2k25 s VAL 78 Cb -0.19 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2k25 s VAL 78 CO -0.16 0.06 -0.02 -0.22 0.00 0.00 0.00 175.10 174.76 2k25 s LEU 79 N 1.39 3.68 -0.71 3.92 2.96 -1.26 -4.67 118.68 123.99 2k25 s LEU 79 Ca -0.09 -1.12 -0.06 0.00 -0.22 0.00 0.00 54.13 52.64 2k25 s LEU 79 Cb -0.10 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.89 2k25 s LEU 79 CO -0.10 -0.22 0.65 -1.14 -1.32 0.00 0.00 176.35 174.22 2k25 n ARG 80 N 4.65 -1.59 -0.61 1.98 3.00 -1.26 -4.80 116.66 118.03 2k25 n ARG 80 Ca -0.14 1.28 -0.29 0.00 -0.00 0.00 0.00 57.85 58.70 2k25 n ARG 80 Cb 0.45 -4.02 0.17 0.00 0.00 0.00 0.00 32.46 29.06 2k25 n ARG 80 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2k25 n LEU 81 N -1.77 -2.00 0.00 6.15 -0.00 -1.26 -5.00 117.00 113.12 2k25 n LEU 81 Ca -0.12 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.65 2k25 n LEU 81 Cb 0.59 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 2k25 n LEU 81 CO 0.57 -3.19 -0.38 -1.14 -0.00 0.00 0.00 177.39 173.25 2k25 n ARG 82 N -2.20 0.00 0.00 1.47 3.00 -1.26 -5.13 116.66 112.53 2k25 n ARG 82 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2k25 n ARG 82 Cb 0.56 -0.52 0.00 0.00 0.00 0.00 0.00 32.46 32.50 2k25 n ARG 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k25 n GLY 83 N 2.74 -0.54 3.62 5.14 0.00 -1.26 -5.16 105.19 109.74 2k25 n GLY 83 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 2k25 n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k25 s TYR 84 N 0.00 -0.41 0.35 1.61 1.13 -1.26 -4.85 117.35 113.91 2k25 s TYR 84 Ca 0.00 0.92 0.05 0.00 -1.41 0.00 0.00 57.07 56.63 2k25 s TYR 84 Cb 0.00 0.40 -0.07 0.00 -1.10 0.00 0.00 41.96 41.19 2k25 s TYR 84 CO 0.00 -0.25 0.03 0.00 -2.51 0.00 0.00 175.55 172.82 2k25 s ALA 85 N -0.22 2.65 -0.74 9.51 0.00 -1.20 -5.04 121.76 126.72 2k25 s ALA 85 Ca 0.02 -2.14 -0.05 0.00 0.00 0.00 0.00 51.96 49.80 2k25 s ALA 85 Cb -0.04 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.57 2k25 s ALA 85 CO -0.04 -0.22 2.73 -0.25 0.00 0.00 0.00 175.76 177.98 2k25 n ASP 86 N -0.78 6.97 -3.26 0.00 8.00 -1.26 -4.74 116.55 121.48 2k25 n ASP 86 Ca -0.03 -3.10 -0.11 0.00 0.71 0.00 0.00 54.79 52.26 2k25 n ASP 86 Cb 0.66 -1.30 0.03 0.00 -0.02 0.00 0.00 41.12 40.49 2k25 n ASP 86 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k25 n LEU 87 N 1.38 -5.55 -4.55 0.64 7.99 -1.26 -3.60 117.00 112.04 2k25 n LEU 87 Ca 0.54 -0.46 -0.38 0.00 -0.01 0.00 0.00 56.01 55.70 2k25 n LEU 87 Cb 0.47 -3.03 -0.03 0.00 -0.11 0.00 0.00 43.42 40.72 2k25 n LEU 87 CO 0.45 -0.43 1.39 -0.60 -1.51 0.00 0.00 177.39 176.68 2k25 s ARG 88 N -3.95 2.99 0.27 3.23 3.52 -1.25 -4.84 118.95 118.91 2k25 s ARG 88 Ca 0.20 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 2k25 s ARG 88 Cb -0.04 -4.60 -0.14 0.00 -1.56 0.00 0.00 34.95 28.61 2k25 s ARG 88 CO 0.77 -2.54 1.20 0.39 -0.81 0.00 0.00 175.30 174.31 2k25 n GLU 89 N 9.15 1.67 0.00 5.12 -0.58 -1.26 -4.64 120.64 130.09 2k25 n GLU 89 Ca 0.20 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 2k25 n GLU 89 Cb 0.50 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2k25 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k25 n ASP 90 N 1.47 0.00 -0.08 1.62 8.00 -1.26 -4.99 116.55 121.31 2k25 n ASP 90 Ca 0.10 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 2k25 n ASP 90 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.37 2k25 n ASP 90 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2k25 h PRO 91 N 0.00 0.61 -3.59 -0.24 0.13 -1.83 -3.43 132.00 123.65 2k25 h PRO 91 Ca 0.00 -0.32 -0.44 0.00 -0.87 0.00 0.00 66.00 64.37 2k25 h PRO 91 Cb 0.00 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 30.75 2k25 h PRO 91 CO 0.00 0.92 -0.76 0.34 -0.23 0.00 0.00 178.00 178.27 2k25 s ASP 92 N -6.43 1.72 1.40 1.44 2.15 -1.26 -4.92 116.67 110.77 2k25 s ASP 92 Ca -0.13 -0.17 -0.21 0.00 0.43 0.00 0.00 52.55 52.47 2k25 s ASP 92 Cb 0.08 -0.40 0.32 0.00 -0.30 0.00 0.00 42.92 42.62 2k25 s ASP 92 CO 0.81 -0.22 0.75 -2.11 -0.17 0.00 0.00 175.17 174.22 2k25 n ARG 93 N 5.17 -4.38 -0.74 4.34 1.85 -1.26 -4.90 116.66 116.73 2k25 n ARG 93 Ca -0.07 -1.25 -0.30 0.00 -1.00 0.00 0.00 57.85 55.23 2k25 n ARG 93 Cb 0.50 -1.60 0.25 0.00 -1.05 0.00 0.00 32.46 30.56 2k25 n ARG 93 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 2k25 s GLN 94 N -4.79 -1.59 0.24 2.89 -2.07 -1.26 -5.04 119.66 108.04 2k25 s GLN 94 Ca 0.57 0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 54.14 2k25 s GLN 94 Cb -0.10 -1.52 0.05 0.00 -1.09 0.00 0.00 33.01 30.35 2k25 s GLN 94 CO 0.48 -4.02 0.86 0.34 -1.32 0.00 0.00 175.29 171.63 2k25 s ASP 95 N -3.30 -0.16 0.30 12.60 2.15 -1.26 -5.19 116.67 121.81 2k25 s ASP 95 Ca 0.69 -0.62 0.04 0.00 0.43 0.00 0.00 52.55 53.09 2k25 s ASP 95 Cb -0.15 0.63 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 2k25 s ASP 95 CO 0.59 -1.18 0.18 -1.38 -0.17 0.00 0.00 175.17 173.21 2k25 s HIS 96 N -3.23 1.58 -0.16 -5.34 -3.43 -1.26 -5.03 115.29 98.43 2k25 s HIS 96 Ca 0.13 -1.44 -0.14 0.00 -0.80 0.00 0.00 55.06 52.82 2k25 s HIS 96 Cb -0.04 -0.79 0.04 0.00 -1.43 0.00 0.00 32.58 30.36 2k25 s HIS 96 CO 0.06 -0.62 0.41 -1.58 -2.00 0.00 0.00 174.74 171.01 2k25 s HIS 97 N -3.63 -0.47 -1.03 0.38 2.46 -1.26 -4.99 115.29 106.75 2k25 s HIS 97 Ca 0.37 1.13 -0.24 0.00 0.47 0.00 0.00 55.06 56.79 2k25 s HIS 97 Cb 0.04 0.17 -0.07 0.00 -0.13 0.00 0.00 32.58 32.60 2k25 s HIS 97 CO 0.19 -0.23 1.94 -1.25 -2.47 0.00 0.00 174.74 172.92 2k25 s PRO 98 N 0.39 2.53 0.00 2.88 0.04 -1.26 -4.87 135.00 134.71 2k25 s PRO 98 Ca -0.01 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.33 2k25 s PRO 98 Cb -0.04 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.36 2k25 s PRO 98 CO -0.01 -3.65 0.00 0.41 0.04 0.00 0.00 177.00 173.78 2k25 n GLY 99 N 6.37 4.13 2.41 0.56 0.00 -1.26 -4.85 105.19 112.55 2k25 n GLY 99 Ca 0.42 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 2k25 n GLY 99 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k25 n SER 100 N -2.53 -5.19 -4.26 1.61 3.41 -1.26 -4.95 113.62 100.46 2k25 n SER 100 Ca 0.00 0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.44 2k25 n SER 100 Cb 0.00 -4.44 -0.14 0.00 -0.26 0.00 0.00 64.21 59.37 2k25 n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2k25 s GLY 101 N -2.23 1.69 0.19 5.00 0.00 -1.26 -5.08 107.32 105.62 2k25 s GLY 101 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 2k25 s GLY 101 CO 0.00 0.57 0.40 0.00 0.00 0.00 0.00 173.10 174.06 2k25 s ALA 102 N 1.40 -0.36 -2.00 3.20 0.00 -1.26 -5.25 121.76 117.49 2k25 s ALA 102 Ca 0.01 -0.66 0.26 0.00 0.00 0.00 0.00 51.96 51.58 2k25 s ALA 102 Cb -0.17 0.89 1.55 0.00 0.00 0.00 0.00 23.12 25.39 2k25 s ALA 102 CO -0.02 -0.73 1.90 1.04 0.00 0.00 0.00 175.76 177.95