#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 -0.27 0.63 1.61 1.04 -1.26 -5.16 113.70 110.29 2k25 s SER 2 Ca 0.00 0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.34 2k25 s SER 2 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2k25 s SER 2 CO 0.00 -0.40 1.16 -0.76 0.98 0.00 0.00 173.24 174.22 2k25 s LEU 3 N -2.03 3.53 0.22 2.42 2.01 -1.26 -5.05 118.68 118.52 2k25 s LEU 3 Ca 0.05 2.21 0.12 0.00 0.01 0.00 0.00 54.13 56.52 2k25 s LEU 3 Cb -0.01 -4.58 -0.05 0.00 0.01 0.00 0.00 46.19 41.57 2k25 s LEU 3 CO -0.05 -1.65 -0.23 0.68 1.01 0.00 0.00 176.35 176.11 2k25 s VAL 4 N -1.94 2.39 0.22 -1.59 -7.23 -1.26 -4.87 120.40 106.11 2k25 s VAL 4 Ca 0.72 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 2k25 s VAL 4 Cb -0.25 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.56 2k25 s VAL 4 CO 0.37 -0.21 0.19 -0.81 -0.31 0.00 0.00 175.10 174.33 2k25 n PRO 5 N -0.03 -1.41 -0.37 4.82 -0.04 -1.26 -4.95 135.00 131.76 2k25 n PRO 5 Ca -0.10 -0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.13 2k25 n PRO 5 Cb 0.57 -0.29 0.15 0.00 -0.04 0.00 0.00 33.50 33.89 2k25 n PRO 5 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2k25 n ARG 6 N -2.11 1.23 0.00 0.54 1.85 -1.26 -4.68 116.66 112.23 2k25 n ARG 6 Ca 0.03 -2.69 0.15 0.00 -1.00 0.00 0.00 57.85 54.33 2k25 n ARG 6 Cb 0.10 -1.39 0.67 0.00 -1.05 0.00 0.00 32.46 30.79 2k25 n ARG 6 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k25 n GLY 7 N -1.11 -0.45 2.47 2.89 0.00 -1.26 -4.89 105.19 102.83 2k25 n GLY 7 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.36 -4.57 -3.94 1.61 2.88 -1.26 -4.98 113.62 102.99 2k25 n SER 8 Ca 0.20 0.12 -0.21 0.00 -1.33 0.00 0.00 58.87 57.65 2k25 n SER 8 Cb 0.27 -2.50 -0.16 0.00 -0.75 0.00 0.00 64.21 61.06 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 -1.90 1.10 0.03 -1.46 -1.94 -1.26 -5.07 119.30 108.80 2k25 s MET 9 Ca 0.00 -0.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.80 2k25 s MET 9 Cb 0.00 -1.01 -0.02 0.00 2.01 0.00 0.00 34.83 35.82 2k25 s MET 9 CO 0.00 -0.02 -0.12 -0.65 -0.01 0.00 0.00 175.02 174.22 2k25 s GLN 10 N 0.74 0.83 0.32 2.03 -0.21 -1.26 -4.30 119.66 117.82 2k25 s GLN 10 Ca -0.12 -0.63 -0.04 0.00 0.02 0.00 0.00 55.36 54.58 2k25 s GLN 10 Cb -0.14 -0.80 0.00 0.00 1.00 0.00 0.00 33.01 33.07 2k25 s GLN 10 CO 0.01 0.20 0.47 -1.50 -2.12 0.00 0.00 175.29 172.35 2k25 s ILE 11 N -0.73 0.00 -0.23 1.08 2.07 -0.96 -4.89 121.20 117.53 2k25 s ILE 11 Ca 0.01 -1.57 -0.08 0.00 -1.41 0.00 0.00 60.65 57.60 2k25 s ILE 11 Cb -0.07 -2.57 -0.04 0.00 0.13 0.00 0.00 42.46 39.91 2k25 s ILE 11 CO 0.01 0.00 0.08 0.12 -1.91 0.00 0.00 174.94 173.24 2k25 s PHE 12 N -3.23 3.15 -0.05 3.50 5.36 -1.26 -4.20 117.98 121.24 2k25 s PHE 12 Ca 0.29 -0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 2k25 s PHE 12 Cb -0.00 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2k25 s PHE 12 CO 0.18 -0.18 -0.05 0.08 -1.46 0.00 0.00 175.22 173.79 2k25 s VAL 13 N 1.26 0.63 -0.16 3.12 1.01 -1.25 -3.43 120.40 121.58 2k25 s VAL 13 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2k25 s VAL 13 Cb -0.14 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2k25 s VAL 13 CO 0.04 0.25 -0.21 -0.54 0.00 0.00 0.00 175.10 174.64 2k25 s LYS 14 N 0.98 2.95 0.74 2.72 -0.14 -1.26 -3.14 119.74 122.59 2k25 s LYS 14 Ca -0.10 -0.82 -0.13 0.00 -1.36 0.00 0.00 55.97 53.56 2k25 s LYS 14 Cb -0.14 -2.46 0.17 0.00 -1.68 0.00 0.00 37.83 33.72 2k25 s LYS 14 CO -0.00 -0.11 0.94 0.25 -0.76 0.00 0.00 175.35 175.67 2k25 n THR 15 N 4.34 0.00 0.11 2.17 -2.24 0.01 -4.74 114.28 113.93 2k25 n THR 15 Ca -0.20 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 60.90 2k25 n THR 15 Cb 0.51 -1.57 0.04 0.00 -2.10 0.00 0.00 70.33 67.21 2k25 n THR 15 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2k25 h LEU 16 N 0.00 0.00 0.00 3.22 8.10 -1.89 -3.23 115.31 121.51 2k25 h LEU 16 Ca -0.31 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.47 2k25 h LEU 16 Cb 0.87 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.06 2k25 h LEU 16 CO 0.22 0.73 -1.25 0.00 -4.11 0.00 0.00 178.44 174.03 2k25 h THR 17 N 0.00 1.01 0.00 0.15 1.03 -1.97 -3.48 112.91 109.66 2k25 h THR 17 Ca -0.01 -2.67 0.00 0.00 -0.01 0.00 0.00 66.41 63.73 2k25 h THR 17 Cb 1.42 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 70.95 2k25 h THR 17 CO 0.10 0.58 0.00 0.61 -0.01 0.00 0.00 175.52 176.79 2k25 n GLY 18 N 1.41 0.75 3.80 2.99 0.00 -1.22 -5.13 105.19 107.79 2k25 n GLY 18 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2k25 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k25 s LYS 19 N 0.00 3.79 -0.08 1.61 -0.14 -1.26 -4.73 119.74 118.92 2k25 s LYS 19 Ca 0.00 1.28 0.05 0.00 -1.36 0.00 0.00 55.97 55.94 2k25 s LYS 19 Cb 0.00 -2.10 -0.00 0.00 -1.68 0.00 0.00 37.83 34.05 2k25 s LYS 19 CO 0.00 -0.43 -0.24 0.99 -0.76 0.00 0.00 175.35 174.91 2k25 s THR 20 N -2.12 2.05 -0.01 2.17 2.01 -1.26 -0.80 115.64 117.68 2k25 s THR 20 Ca 0.66 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2k25 s THR 20 Cb -0.15 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.60 2k25 s THR 20 CO 0.22 0.56 -0.09 0.27 -0.69 0.00 0.00 174.62 174.90 2k25 s ILE 21 N 0.14 0.72 -0.17 1.82 -0.00 -1.19 -5.03 121.20 117.49 2k25 s ILE 21 Ca -0.13 -0.37 -0.29 0.00 -0.00 0.00 0.00 60.65 59.87 2k25 s ILE 21 Cb -0.16 -0.62 -0.01 0.00 -0.00 0.00 0.00 42.46 41.66 2k25 s ILE 21 CO 0.07 0.21 1.21 -0.89 -0.00 0.00 0.00 174.94 175.54 2k25 s THR 22 N -0.04 4.37 -0.05 8.37 2.01 -1.26 -3.82 115.64 125.22 2k25 s THR 22 Ca 0.01 1.66 0.05 0.00 0.31 0.00 0.00 61.69 63.71 2k25 s THR 22 Cb -0.05 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2k25 s THR 22 CO -0.00 -0.13 -0.18 -0.76 -0.69 0.00 0.00 174.62 172.85 2k25 s LEU 23 N 3.33 2.50 0.31 4.42 2.01 -1.26 -3.93 118.68 126.07 2k25 s LEU 23 Ca 0.52 -0.30 -0.09 0.00 0.01 0.00 0.00 54.13 54.27 2k25 s LEU 23 Cb -0.20 -1.49 -0.07 0.00 0.01 0.00 0.00 46.19 44.44 2k25 s LEU 23 CO 0.13 0.32 0.64 -1.83 1.01 0.00 0.00 176.35 176.63 2k25 s GLU 24 N -0.58 3.78 0.01 1.70 -1.05 -1.26 -2.27 118.70 119.04 2k25 s GLU 24 Ca 0.08 0.32 0.01 0.00 -0.15 0.00 0.00 54.97 55.23 2k25 s GLU 24 Cb -0.11 -2.54 -0.01 0.00 -0.44 0.00 0.00 34.13 31.03 2k25 s GLU 24 CO 0.01 0.16 -0.03 0.14 0.95 0.00 0.00 175.26 176.48 2k25 s VAL 25 N -2.08 0.22 -0.08 1.83 -7.23 -1.26 -4.83 120.40 106.97 2k25 s VAL 25 Ca 0.49 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 2k25 s VAL 25 Cb -0.11 -0.27 0.10 0.00 0.56 0.00 0.00 36.38 36.66 2k25 s VAL 25 CO 0.26 -0.20 0.85 -1.61 -0.31 0.00 0.00 175.10 174.09 2k25 s GLU 26 N -0.76 0.83 0.37 4.82 2.02 -1.26 -4.96 118.70 119.76 2k25 s GLU 26 Ca -0.06 0.08 0.16 0.00 0.02 0.00 0.00 54.97 55.17 2k25 s GLU 26 Cb -0.05 0.39 0.73 0.00 0.10 0.00 0.00 34.13 35.30 2k25 s GLU 26 CO -0.00 -0.28 1.78 -1.00 0.02 0.00 0.00 175.26 175.78 2k25 h PRO 27 N 2.59 0.00 -0.30 0.39 0.13 -1.98 -2.92 132.00 129.92 2k25 h PRO 27 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2k25 h PRO 27 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k25 h PRO 27 CO 0.34 0.39 0.00 0.45 -0.23 0.00 0.00 178.00 178.95 2k25 n SER 28 N -3.77 2.88 -4.27 1.44 2.88 -1.26 -1.52 113.62 110.00 2k25 n SER 28 Ca -0.01 -1.86 -0.33 0.00 -1.33 0.00 0.00 58.87 55.34 2k25 n SER 28 Cb 0.46 -0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.09 3.62 0.43 -3.46 1.01 -1.10 -4.98 116.67 111.09 2k25 s ASP 29 Ca 0.26 -0.47 0.06 0.00 0.71 0.00 0.00 52.55 53.11 2k25 s ASP 29 Cb 0.15 -1.55 0.01 0.00 1.01 0.00 0.00 42.92 42.54 2k25 s ASP 29 CO 0.20 0.10 0.59 0.28 0.21 0.00 0.00 175.17 176.55 2k25 s THR 30 N 0.73 3.17 0.55 -1.27 -1.32 -1.26 -4.15 115.64 112.09 2k25 s THR 30 Ca -0.07 -0.92 0.28 0.00 -1.21 0.00 0.00 61.69 59.77 2k25 s THR 30 Cb -0.16 -3.09 0.42 0.00 -1.51 0.00 0.00 72.50 68.16 2k25 s THR 30 CO 0.01 -0.04 1.95 0.40 -2.21 0.00 0.00 174.62 174.73 2k25 h ILE 31 N 0.58 0.59 -0.21 5.08 5.03 -1.92 -1.67 117.51 124.99 2k25 h ILE 31 Ca -0.42 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.38 2k25 h ILE 31 Cb 1.28 0.66 -0.07 0.00 -3.03 0.00 0.00 36.82 35.66 2k25 h ILE 31 CO 0.48 0.00 -0.28 -0.33 -0.68 0.00 0.00 178.15 177.34 2k25 h GLU 32 N 0.00 -0.30 0.07 2.37 4.39 -1.93 0.23 114.58 119.42 2k25 h GLU 32 Ca 0.28 0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.79 2k25 h GLU 32 Cb 1.22 0.07 0.02 0.00 -0.10 0.00 0.00 28.75 29.96 2k25 h GLU 32 CO -0.00 -0.20 -0.90 -0.91 -1.16 0.00 0.00 179.01 175.84 2k25 h ASN 33 N -0.31 0.68 -0.83 1.42 2.35 -1.74 -3.26 115.58 113.89 2k25 h ASN 33 Ca 0.12 -0.82 0.17 0.00 -0.55 0.00 0.00 56.30 55.23 2k25 h ASN 33 Cb 0.50 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.60 2k25 h ASN 33 CO -0.38 1.42 0.55 0.58 -1.65 0.00 0.00 177.43 177.94 2k25 h VAL 34 N 0.02 0.74 -0.56 2.81 2.07 -1.08 0.12 116.25 120.37 2k25 h VAL 34 Ca -0.13 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.41 2k25 h VAL 34 Cb 1.61 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2k25 h VAL 34 CO 0.17 0.08 0.49 0.50 0.02 0.00 0.00 177.57 178.82 2k25 h LYS 35 N 0.41 0.00 -0.46 1.57 3.11 -0.58 0.74 116.57 121.37 2k25 h LYS 35 Ca 0.42 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.17 2k25 h LYS 35 Cb 1.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2k25 h LYS 35 CO -0.15 0.00 -0.08 0.00 -2.81 0.00 0.00 179.45 176.42 2k25 h ALA 36 N 1.55 0.62 -0.73 5.00 0.00 -0.94 0.69 119.26 125.45 2k25 h ALA 36 Ca 0.27 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k25 h ALA 36 Cb 1.23 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2k25 h ALA 36 CO -0.00 0.49 0.42 -0.22 0.00 0.00 0.00 179.25 179.93 2k25 h LYS 37 N 0.70 0.73 0.00 0.00 1.63 -0.96 -1.87 116.57 116.79 2k25 h LYS 37 Ca 0.12 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.69 2k25 h LYS 37 Cb 0.61 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 2k25 h LYS 37 CO 0.04 0.48 -0.89 0.97 -3.45 0.00 0.00 179.45 176.60 2k25 h ILE 38 N 0.75 1.56 -0.76 2.00 -0.00 -1.47 -3.25 117.51 116.33 2k25 h ILE 38 Ca 0.33 -3.12 0.19 0.00 -0.00 0.00 0.00 64.86 62.26 2k25 h ILE 38 Cb 0.23 2.72 -0.04 0.00 -0.00 0.00 0.00 36.82 39.72 2k25 h ILE 38 CO -0.20 0.87 0.53 0.06 -0.00 0.00 0.00 178.15 179.41 2k25 h GLN 39 N 0.00 0.19 0.00 2.19 -0.00 -0.01 0.36 115.11 117.84 2k25 h GLN 39 Ca -0.01 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.49 2k25 h GLN 39 Cb 1.65 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 29.06 2k25 h GLN 39 CO 0.12 0.13 -0.69 0.22 -0.00 0.00 0.00 178.83 178.61 2k25 h ASP 40 N 0.20 0.00 0.12 0.06 1.82 -1.56 -0.32 116.42 116.75 2k25 h ASP 40 Ca 0.38 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.01 2k25 h ASP 40 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2k25 h ASP 40 CO -0.07 0.63 -0.06 0.11 -1.61 0.00 0.00 179.24 178.23 2k25 h LYS 41 N 0.00 -0.16 0.00 0.28 1.79 -0.46 -3.41 116.57 114.62 2k25 h LYS 41 Ca -0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k25 h LYS 41 Cb 1.49 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.18 2k25 h LYS 41 CO 0.08 0.32 -0.78 0.39 -1.08 0.00 0.00 179.45 178.38 2k25 n GLU 42 N -4.87 1.38 -2.07 3.15 -0.58 -0.30 -3.29 120.64 114.07 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 0.27 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 0.61 3.78 0.62 0.00 -0.13 -4.80 105.19 108.07 2k25 n GLY 43 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.93 3.62 -0.26 -0.61 1.09 -1.26 -4.97 121.20 115.87 2k25 s ILE 44 Ca 0.00 1.18 -0.29 0.00 -1.10 0.00 0.00 60.65 60.45 2k25 s ILE 44 Cb 0.00 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 2k25 s ILE 44 CO 0.00 -0.04 1.64 -2.16 -0.10 0.00 0.00 174.94 174.28 2k25 s PRO 45 N -2.68 3.66 0.55 2.79 0.04 -1.26 -4.88 135.00 133.23 2k25 s PRO 45 Ca 0.61 1.54 0.34 0.00 0.04 0.00 0.00 61.00 63.52 2k25 s PRO 45 Cb -0.22 -4.07 1.41 0.00 0.04 0.00 0.00 34.50 31.65 2k25 s PRO 45 CO 0.27 -1.46 2.00 -1.00 0.04 0.00 0.00 177.00 176.86 2k25 h PRO 46 N 11.24 0.00 -0.90 0.56 0.13 -1.93 0.25 132.00 141.36 2k25 h PRO 46 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 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 1.02 0.01 0.50 -0.44 -0.23 0.00 0.00 178.00 178.85 2k25 h ASP 47 N 0.00 1.11 0.00 1.44 5.19 -2.04 -3.18 116.42 118.95 2k25 h ASP 47 Ca -0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2k25 h ASP 47 Cb 0.49 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2k25 h ASP 47 CO 0.00 0.89 -1.17 0.00 -3.12 0.00 0.00 179.24 175.83 2k25 n GLN 48 N -4.33 1.37 -1.42 3.56 1.13 -1.15 -5.03 117.38 111.51 2k25 n GLN 48 Ca 0.10 -0.07 -0.46 0.00 -1.94 0.00 0.00 57.00 54.63 2k25 n GLN 48 Cb 0.09 -1.18 -0.02 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.68 0.25 -3.98 -1.09 7.27 0.88 -4.93 117.38 114.10 2k25 n GLN 49 Ca -0.01 0.09 -0.23 0.00 0.07 0.00 0.00 57.00 56.92 2k25 n GLN 49 Cb 0.25 -1.17 -0.06 0.00 2.41 0.00 0.00 30.24 31.68 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 -1.13 2.41 -0.06 3.69 0.52 -1.26 -4.96 118.95 118.15 2k25 s ARG 50 Ca 0.62 -1.58 0.03 0.00 -0.52 0.00 0.00 55.73 54.29 2k25 s ARG 50 Cb -0.82 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 32.45 2k25 s ARG 50 CO 0.58 0.01 -0.15 -0.51 0.02 0.00 0.00 175.30 175.25 2k25 s LEU 51 N -3.92 1.79 -0.10 2.53 1.02 -1.26 -4.08 118.68 114.66 2k25 s LEU 51 Ca 0.41 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 2k25 s LEU 51 Cb -0.02 -0.94 0.03 0.00 0.02 0.00 0.00 46.19 45.28 2k25 s LEU 51 CO 0.24 0.09 -0.03 -0.63 0.02 0.00 0.00 176.35 176.03 2k25 s ILE 52 N 0.42 0.70 -0.19 -0.59 1.09 -1.20 -2.75 121.20 118.67 2k25 s ILE 52 Ca -0.12 -0.10 -0.00 0.00 -1.10 0.00 0.00 60.65 59.33 2k25 s ILE 52 Cb -0.15 -0.80 0.05 0.00 -1.06 0.00 0.00 42.46 40.50 2k25 s ILE 52 CO 0.04 0.29 -0.04 0.12 -0.10 0.00 0.00 174.94 175.25 2k25 s PHE 53 N 1.84 1.87 -1.40 3.97 5.36 0.96 -3.01 117.98 127.57 2k25 s PHE 53 Ca 0.05 -1.30 -0.04 0.00 -0.96 0.00 0.00 56.93 54.68 2k25 s PHE 53 Cb -0.13 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 2k25 s PHE 53 CO -0.07 -0.68 0.30 0.00 -1.46 0.00 0.00 175.22 173.31 2k25 n ALA 54 N 4.82 -0.87 0.00 11.12 0.00 -1.26 -0.09 120.51 134.23 2k25 n ALA 54 Ca -0.12 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k25 n ALA 54 Cb 0.46 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 -1.15 2.57 3.66 0.00 0.00 -1.26 -5.01 105.19 104.00 2k25 n GLY 55 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 0.37 1.61 2.20 0.87 -5.07 119.74 123.33 2k25 s LYS 56 Ca 0.00 -0.15 -0.24 0.00 -0.36 0.00 0.00 55.97 55.22 2k25 s LYS 56 Cb 0.00 -3.55 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 2k25 s LYS 56 CO 0.00 0.01 0.94 -1.14 -0.36 0.00 0.00 175.35 174.80 2k25 s GLN 57 N 1.19 4.42 0.67 4.03 0.74 -1.26 -0.03 119.66 129.42 2k25 s GLN 57 Ca 0.10 1.23 -0.11 0.00 0.05 0.00 0.00 55.36 56.63 2k25 s GLN 57 Cb -0.14 -2.53 0.16 0.00 1.10 0.00 0.00 33.01 31.60 2k25 s GLN 57 CO 0.06 0.15 0.73 1.28 -0.55 0.00 0.00 175.29 176.95 2k25 n LEU 58 N 0.04 0.00 0.00 3.68 7.99 -1.11 -4.92 117.00 122.68 2k25 n LEU 58 Ca 0.04 -0.78 0.00 0.00 -0.01 0.00 0.00 56.01 55.26 2k25 n LEU 58 Cb 0.52 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 2k25 n LEU 58 CO 0.41 -1.41 0.00 -1.84 -1.51 0.00 0.00 177.39 173.04 2k25 n GLU 59 N -3.14 0.00 0.00 3.23 0.28 -1.26 -4.94 120.64 114.81 2k25 n GLU 59 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2k25 n GLU 59 Cb 0.35 -0.05 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2k25 n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k25 n ASP 60 N -1.70 0.00 0.00 -1.84 2.03 -1.26 -5.10 116.55 108.67 2k25 n ASP 60 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k25 n ASP 60 Cb 0.00 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2k25 n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k25 n GLY 61 N 2.67 0.63 3.41 0.27 0.00 -1.26 -5.03 105.19 105.88 2k25 n GLY 61 Ca 0.00 0.55 -0.20 0.00 0.00 0.00 0.00 46.02 46.37 2k25 n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k25 s ARG 62 N 0.00 1.58 0.63 1.61 6.06 -1.26 -4.92 118.95 122.65 2k25 s ARG 62 Ca 0.00 -1.87 -0.12 0.00 -2.50 0.00 0.00 55.73 51.23 2k25 s ARG 62 Cb 0.00 -0.69 -0.03 0.00 0.06 0.00 0.00 34.95 34.30 2k25 s ARG 62 CO 0.00 -0.22 1.04 0.95 -2.50 0.00 0.00 175.30 174.57 2k25 s THR 63 N -3.43 4.32 0.25 4.11 -4.23 -1.26 -4.30 115.64 111.09 2k25 s THR 63 Ca 0.37 0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 61.68 2k25 s THR 63 Cb 0.08 -3.61 0.17 0.00 1.34 0.00 0.00 72.50 70.48 2k25 s THR 63 CO 0.15 -0.89 1.82 0.25 -0.54 0.00 0.00 174.62 175.40 2k25 h LEU 64 N -0.18 0.94 0.01 4.79 5.85 -1.67 -0.16 115.31 124.88 2k25 h LEU 64 Ca -0.45 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 2k25 h LEU 64 Cb 1.20 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2k25 h LEU 64 CO 0.59 0.85 -0.01 -1.28 -0.34 0.00 0.00 178.44 178.26 2k25 h SER 65 N 0.99 -0.02 -0.95 1.25 0.87 -1.53 0.15 113.55 114.31 2k25 h SER 65 Ca 0.23 -0.58 0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2k25 h SER 65 Cb 0.23 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 2k25 h SER 65 CO -0.02 0.58 0.62 -0.33 -0.53 0.00 0.00 176.83 177.15 2k25 h GLU 66 N -0.62 1.14 -0.00 2.24 4.39 -1.72 -0.53 114.58 119.47 2k25 h GLU 66 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2k25 h GLU 66 Cb 0.60 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2k25 h GLU 66 CO 0.00 0.75 -0.23 0.98 -1.16 0.00 0.00 179.01 179.36 2k25 n TYR 67 N -4.50 0.00 -2.49 4.33 4.19 -0.08 -4.92 117.16 113.70 2k25 n TYR 67 Ca 0.13 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.23 2k25 n TYR 67 Cb 0.12 -0.25 -0.00 0.00 0.49 0.00 0.00 39.34 39.69 2k25 n TYR 67 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2k25 n ASN 68 N -1.18 -3.57 -4.94 2.98 4.13 0.45 -4.93 115.26 108.20 2k25 n ASN 68 Ca 0.10 0.20 -0.24 0.00 1.68 0.00 0.00 54.58 56.32 2k25 n ASN 68 Cb 0.32 -3.05 -0.00 0.00 -1.54 0.00 0.00 39.78 35.50 2k25 n ASN 68 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2k25 s ILE 69 N -2.56 4.81 -0.79 2.41 -4.36 -0.70 -5.01 121.20 115.00 2k25 s ILE 69 Ca 0.02 -0.31 -0.01 0.00 -0.26 0.00 0.00 60.65 60.09 2k25 s ILE 69 Cb -0.01 -3.78 0.36 0.00 1.25 0.00 0.00 42.46 40.28 2k25 s ILE 69 CO 0.02 -0.58 1.84 0.00 0.24 0.00 0.00 174.94 176.46 2k25 n GLN 70 N -1.97 3.09 0.00 0.37 6.02 -1.26 -4.64 117.38 118.99 2k25 n GLN 70 Ca -0.02 -3.81 0.16 0.00 -0.01 0.00 0.00 57.00 53.32 2k25 n GLN 70 Cb 0.56 -2.28 0.86 0.00 1.02 0.00 0.00 30.24 30.40 2k25 n GLN 70 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2k25 n LYS 71 N -0.49 0.94 -1.25 -1.09 2.85 -1.26 -4.22 118.16 113.64 2k25 n LYS 71 Ca 0.50 -0.09 -0.24 0.00 -1.05 0.00 0.00 58.31 57.43 2k25 n LYS 71 Cb 0.31 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.09 2k25 n LYS 71 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2k25 n GLU 72 N -0.95 2.75 0.00 -1.58 0.28 -1.26 -4.19 120.64 115.69 2k25 n GLU 72 Ca 0.21 -1.76 0.00 0.00 -0.16 0.00 0.00 57.16 55.45 2k25 n GLU 72 Cb 0.16 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.74 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 2.44 0.00 -3.72 -1.84 7.64 -1.26 -5.11 113.62 111.77 2k25 n SER 73 Ca 0.55 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 60.16 2k25 n SER 73 Cb 0.62 0.10 -0.16 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.38 0.47 -0.09 0.44 2.01 -1.26 -4.34 115.64 112.49 2k25 s THR 74 Ca 0.00 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.45 2k25 s THR 74 Cb 0.00 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.52 2k25 s THR 74 CO 0.00 -0.24 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.85 2k25 s LEU 75 N 1.88 1.28 -0.32 4.42 2.01 -1.22 -4.48 118.68 122.25 2k25 s LEU 75 Ca -0.00 -0.26 -0.01 0.00 0.01 0.00 0.00 54.13 53.86 2k25 s LEU 75 Cb -0.17 -0.76 0.07 0.00 0.01 0.00 0.00 46.19 45.34 2k25 s LEU 75 CO -0.09 -0.08 0.04 -1.00 1.01 0.00 0.00 176.35 176.23 2k25 s HIS 76 N 1.35 3.38 -0.36 0.29 3.76 -1.16 -4.34 115.29 118.20 2k25 s HIS 76 Ca -0.02 -2.13 0.01 0.00 -0.15 0.00 0.00 55.06 52.76 2k25 s HIS 76 Cb -0.14 -2.41 0.11 0.00 1.11 0.00 0.00 32.58 31.26 2k25 s HIS 76 CO -0.04 -0.86 0.15 -0.48 -0.85 0.00 0.00 174.74 172.66 2k25 s LEU 77 N 1.18 2.61 -0.14 0.89 2.34 -1.26 -3.21 118.68 121.10 2k25 s LEU 77 Ca -0.01 -2.08 -0.08 0.00 0.06 0.00 0.00 54.13 52.03 2k25 s LEU 77 Cb -0.20 -0.99 0.05 0.00 -0.56 0.00 0.00 46.19 44.49 2k25 s LEU 77 CO -0.03 -0.35 0.33 -0.69 -1.06 0.00 0.00 176.35 174.55 2k25 s VAL 78 N 1.06 -0.03 -0.27 1.48 1.01 -1.26 -4.83 120.40 117.55 2k25 s VAL 78 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 2k25 s VAL 78 Cb -0.20 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2k25 s VAL 78 CO -0.13 0.04 -0.02 -0.22 0.00 0.00 0.00 175.10 174.77 2k25 s LEU 79 N 1.21 3.51 -0.55 3.92 2.96 -1.26 -4.68 118.68 123.79 2k25 s LEU 79 Ca -0.08 -1.00 -0.23 0.00 -0.22 0.00 0.00 54.13 52.60 2k25 s LEU 79 Cb -0.09 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.93 2k25 s LEU 79 CO -0.09 -0.18 0.64 0.54 -1.32 0.00 0.00 176.35 175.94 2k25 n ARG 80 N 4.67 -1.90 -0.63 1.98 1.74 -1.26 -4.80 116.66 116.48 2k25 n ARG 80 Ca -0.15 1.44 -0.31 0.00 -0.77 0.00 0.00 57.85 58.05 2k25 n ARG 80 Cb 0.46 -3.15 0.19 0.00 -1.02 0.00 0.00 32.46 28.95 2k25 n ARG 80 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k25 n LEU 81 N -0.85 -1.99 0.00 0.55 -0.00 -1.26 -5.01 117.00 108.45 2k25 n LEU 81 Ca -0.09 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.01 55.80 2k25 n LEU 81 Cb 0.63 -1.05 -0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2k25 n LEU 81 CO 0.56 -3.17 -0.04 -1.14 -0.00 0.00 0.00 177.39 173.60 2k25 n ARG 82 N -2.82 0.03 0.00 1.47 3.00 -1.26 -5.12 116.66 111.97 2k25 n ARG 82 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2k25 n ARG 82 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 32.46 32.80 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 3.03 0.26 3.38 5.14 0.00 -1.26 -5.19 105.19 110.55 2k25 n GLY 83 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2k25 n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k25 s TYR 84 N 0.00 -0.30 -0.30 1.61 2.02 -1.26 -5.14 117.35 113.98 2k25 s TYR 84 Ca 0.00 0.02 -0.18 0.00 -0.37 0.00 0.00 57.07 56.54 2k25 s TYR 84 Cb 0.00 0.38 0.19 0.00 -0.40 0.00 0.00 41.96 42.13 2k25 s TYR 84 CO 0.00 -0.78 1.19 0.00 -1.57 0.00 0.00 175.55 174.38 2k25 s ALA 85 N -3.80 -3.06 -0.03 3.71 0.00 -1.21 -4.40 121.76 112.98 2k25 s ALA 85 Ca 0.03 1.89 -0.31 0.00 0.00 0.00 0.00 51.96 53.57 2k25 s ALA 85 Cb 0.00 -2.19 0.12 0.00 0.00 0.00 0.00 23.12 21.06 2k25 s ALA 85 CO -0.11 -0.92 1.31 0.34 0.00 0.00 0.00 175.76 176.38 2k25 s ASP 86 N 2.10 -0.05 0.70 0.00 2.15 -1.26 -4.95 116.67 115.36 2k25 s ASP 86 Ca -0.01 -0.12 -0.05 0.00 0.43 0.00 0.00 52.55 52.80 2k25 s ASP 86 Cb -0.02 0.14 0.07 0.00 -0.30 0.00 0.00 42.92 42.81 2k25 s ASP 86 CO -0.16 -0.26 0.99 -0.76 -0.17 0.00 0.00 175.17 174.81 2k25 s LEU 87 N -2.97 2.90 0.00 -1.34 1.43 -1.26 -4.73 118.68 112.71 2k25 s LEU 87 Ca 0.14 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2k25 s LEU 87 Cb 0.05 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.37 2k25 s LEU 87 CO -0.04 -1.63 0.00 -1.14 0.23 0.00 0.00 176.35 173.77 2k25 n ARG 88 N -2.88 0.00 -0.76 1.70 0.63 -1.26 -5.00 116.66 109.10 2k25 n ARG 88 Ca 0.09 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.01 2k25 n ARG 88 Cb 0.60 0.00 0.26 0.00 0.45 0.00 0.00 32.46 33.77 2k25 n ARG 88 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2k25 n GLU 89 N 0.00 3.42 -1.26 -0.14 0.28 -1.26 -5.00 120.64 116.68 2k25 n GLU 89 Ca 0.00 -2.38 0.15 0.00 -0.16 0.00 0.00 57.16 54.78 2k25 n GLU 89 Cb 0.00 -2.04 -0.08 0.00 1.43 0.00 0.00 31.44 30.75 2k25 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2k25 n ASP 90 N 0.13 -6.89 -4.53 -1.84 9.92 -1.26 -4.39 116.55 107.69 2k25 n ASP 90 Ca 0.28 1.26 -0.29 0.00 -0.53 0.00 0.00 54.79 55.51 2k25 n ASP 90 Cb 1.10 -4.33 -0.06 0.00 -0.64 0.00 0.00 41.12 37.18 2k25 n ASP 90 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k25 n PRO 91 N -4.05 1.58 -3.64 -0.24 -0.04 -1.26 -4.79 135.00 122.56 2k25 n PRO 91 Ca -0.08 -2.43 -0.05 0.00 -0.04 0.00 0.00 63.50 60.89 2k25 n PRO 91 Cb 0.60 -3.69 -0.07 0.00 -0.04 0.00 0.00 33.50 30.30 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 6.41 -0.24 1.12 3.54 2.15 -1.26 -5.07 116.67 123.32 2k25 s ASP 92 Ca 0.68 0.45 -0.08 0.00 0.43 0.00 0.00 52.55 54.03 2k25 s ASP 92 Cb 0.00 0.51 0.12 0.00 -0.30 0.00 0.00 42.92 43.25 2k25 s ASP 92 CO 0.14 -0.08 0.38 0.54 -0.17 0.00 0.00 175.17 175.98 2k25 n ARG 93 N 1.99 -2.21 -3.11 4.34 5.12 -1.26 -5.01 116.66 116.53 2k25 n ARG 93 Ca -0.12 -0.61 -0.33 0.00 -1.93 0.00 0.00 57.85 54.87 2k25 n ARG 93 Cb 0.56 -0.63 -0.06 0.00 -1.16 0.00 0.00 32.46 31.17 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 -3.87 4.03 -0.19 5.56 -2.07 -1.26 -5.07 119.66 116.79 2k25 s GLN 94 Ca 0.26 0.72 -0.32 0.00 -1.82 0.00 0.00 55.36 54.19 2k25 s GLN 94 Cb -0.03 -2.42 0.14 0.00 -1.09 0.00 0.00 33.01 29.61 2k25 s GLN 94 CO 0.20 0.15 1.17 0.34 -1.32 0.00 0.00 175.29 175.83 2k25 s ASP 95 N -2.24 -0.19 0.01 12.60 2.15 -1.26 -5.19 116.67 122.55 2k25 s ASP 95 Ca 0.55 0.09 -0.29 0.00 0.43 0.00 0.00 52.55 53.33 2k25 s ASP 95 Cb -0.10 0.18 0.11 0.00 -0.30 0.00 0.00 42.92 42.80 2k25 s ASP 95 CO 0.17 -0.25 1.24 -2.28 -0.17 0.00 0.00 175.17 173.88 2k25 s HIS 96 N -1.90 -0.04 0.09 -5.34 2.46 -1.26 -5.19 115.29 104.11 2k25 s HIS 96 Ca 0.06 -0.10 -0.21 0.00 0.47 0.00 0.00 55.06 55.29 2k25 s HIS 96 Cb -0.01 0.56 0.05 0.00 -0.13 0.00 0.00 32.58 33.06 2k25 s HIS 96 CO -0.04 -0.36 0.50 -3.38 -2.47 0.00 0.00 174.74 168.99 2k25 s HIS 97 N -2.46 -0.39 0.43 3.88 -3.43 -1.26 -5.18 115.29 106.89 2k25 s HIS 97 Ca 0.16 0.28 -0.07 0.00 -0.80 0.00 0.00 55.06 54.63 2k25 s HIS 97 Cb 0.03 0.37 0.11 0.00 -1.43 0.00 0.00 32.58 31.66 2k25 s HIS 97 CO -0.02 -0.70 0.38 -0.35 -2.00 0.00 0.00 174.74 172.04 2k25 n PRO 98 N 0.06 -1.77 0.00 -0.38 -0.04 -1.26 -5.09 135.00 126.53 2k25 n PRO 98 Ca -0.17 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 2k25 n PRO 98 Cb 0.62 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 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 -0.08 0.07 3.65 0.55 0.00 -1.26 -5.19 105.19 102.92 2k25 n GLY 99 Ca 0.05 0.63 0.03 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.03 0.00 1.61 1.04 -1.26 -5.19 113.70 109.88 2k25 s SER 100 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2k25 s SER 100 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2k25 s SER 100 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2k25 n GLY 101 N -0.55 3.14 3.91 7.32 0.00 -1.26 -5.20 105.19 112.56 2k25 n GLY 101 Ca -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.02 -2.21 -2.27 4.61 0.00 -1.26 -5.39 121.76 114.22 2k25 s ALA 102 Ca 0.00 0.03 0.30 0.00 0.00 0.00 0.00 51.96 52.29 2k25 s ALA 102 Cb 0.00 0.79 1.45 0.00 0.00 0.00 0.00 23.12 25.36 2k25 s ALA 102 CO 0.00 -1.12 1.97 0.94 0.00 0.00 0.00 175.76 177.55