#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm7 n PRO 2 N 0.00 -0.05 -0.01 2.61 -0.04 -1.26 -4.96 135.00 131.29 1sm7 n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sm7 n PRO 2 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1sm7 n PRO 2 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sm7 n GLN 3 N -0.78 1.89 -0.15 0.54 7.27 -1.26 -4.39 117.38 120.50 1sm7 n GLN 3 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 57.00 57.01 1sm7 n GLN 3 Cb 0.00 -1.06 0.02 0.00 2.41 0.00 0.00 30.24 31.61 1sm7 n GLN 3 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1sm7 h LYS 4 N 0.00 -0.13 -0.46 3.69 1.79 -1.97 0.25 116.57 119.74 1sm7 h LYS 4 Ca -0.03 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1sm7 h LYS 4 Cb 0.65 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1sm7 h LYS 4 CO 0.00 -0.09 -0.21 0.00 -1.08 0.00 0.00 179.45 178.08 1sm7 h GLN 6 N 0.82 0.00 -0.40 0.00 4.20 -1.09 0.61 115.11 119.25 1sm7 h GLN 6 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1sm7 h GLN 6 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1sm7 h GLN 6 CO 0.06 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.09 1sm7 n ARG 7 N -3.81 2.38 -0.01 1.46 3.00 0.63 -3.87 116.66 116.44 1sm7 n ARG 7 Ca 0.05 -2.10 -0.00 0.00 -0.00 0.00 0.00 57.85 55.80 1sm7 n ARG 7 Cb 0.50 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 31.45 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1sm7 n GLU 8 N 1.29 2.90 0.01 -0.14 1.02 0.84 -4.03 120.64 122.52 1sm7 n GLU 8 Ca 0.19 -0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.15 1sm7 n GLU 8 Cb 0.55 -1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 30.80 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sm7 h PHE 9 N 0.00 0.48 0.00 -0.32 3.04 -0.16 -3.28 116.94 116.70 1sm7 h PHE 9 Ca -0.04 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.62 1sm7 h PHE 9 Cb 0.89 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1sm7 h PHE 9 CO 0.00 1.14 -1.14 0.94 -2.02 0.00 0.00 178.31 177.23 1sm7 n GLN 10 N -4.27 0.32 -0.30 1.11 7.27 -1.25 -1.65 117.38 118.60 1sm7 n GLN 10 Ca -0.11 -0.02 0.04 0.00 0.07 0.00 0.00 57.00 56.97 1sm7 n GLN 10 Cb 0.67 -1.59 0.11 0.00 2.41 0.00 0.00 30.24 31.85 1sm7 n GLN 10 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1sm7 h GLN 11 N 0.00 0.00 0.00 3.69 4.15 -1.70 -3.41 115.11 117.85 1sm7 h GLN 11 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sm7 h GLN 11 Cb 0.75 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1sm7 h GLN 11 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 178.83 176.05 1sm7 n GLU 12 N -5.55 0.00 -2.70 1.69 0.28 -1.26 -5.03 120.64 108.07 1sm7 n GLU 12 Ca 0.13 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.07 1sm7 n GLU 12 Cb 0.44 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.40 1sm7 n GLU 12 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1sm7 n GLN 13 N 0.00 1.25 0.00 3.44 7.27 -1.19 -5.11 117.38 123.04 1sm7 n GLN 13 Ca 0.00 -2.20 0.00 0.00 0.07 0.00 0.00 57.00 54.87 1sm7 n GLN 13 Cb 0.00 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.27 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1sm7 n HIS 14 N -0.61 -0.18 -4.46 3.69 8.25 -0.66 -4.78 115.22 116.48 1sm7 n HIS 14 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1sm7 n HIS 14 Cb 0.84 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.86 1sm7 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sm7 s LEU 15 N 0.00 2.90 0.00 2.41 1.43 -1.26 -4.99 118.68 119.17 1sm7 s LEU 15 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1sm7 s LEU 15 Cb 0.00 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1sm7 s LEU 15 CO 0.00 -0.35 0.00 0.54 0.23 0.00 0.00 176.35 176.77 1sm7 n ARG 16 N -0.96 0.00 -0.19 1.70 1.74 -1.26 -4.71 116.66 112.97 1sm7 n ARG 16 Ca -0.04 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1sm7 n ARG 16 Cb 0.65 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.05 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sm7 n ALA 17 N -3.00 -0.25 0.13 7.54 0.00 -1.26 0.49 120.51 124.16 1sm7 n ALA 17 Ca 0.00 0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1sm7 n ALA 17 Cb 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1sm7 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm7 n GLN 19 N -5.48 1.16 0.00 0.00 1.13 0.18 -4.05 117.38 110.31 1sm7 n GLN 19 Ca -0.08 -0.32 0.00 0.00 -1.94 0.00 0.00 57.00 54.66 1sm7 n GLN 19 Cb 0.40 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.62 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sm7 n GLN 20 N 0.93 0.00 -0.16 -1.09 6.02 0.15 -4.72 117.38 118.51 1sm7 n GLN 20 Ca 0.06 0.00 0.23 0.00 -0.01 0.00 0.00 57.00 57.28 1sm7 n GLN 20 Cb 0.55 -0.09 0.64 0.00 1.02 0.00 0.00 30.24 32.36 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1sm7 h TRP 21 N 0.00 0.19 -0.29 1.08 5.08 -0.39 0.26 115.95 121.89 1sm7 h TRP 21 Ca 0.00 0.01 0.08 0.00 1.08 0.00 0.00 58.89 60.06 1sm7 h TRP 21 Cb 0.00 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 26.09 1sm7 h TRP 21 CO 0.00 0.05 0.31 0.82 -1.28 0.00 0.00 178.44 178.35 1sm7 h ILE 22 N 0.15 0.43 0.00 0.12 2.04 -1.79 -1.29 117.51 117.17 1sm7 h ILE 22 Ca 0.40 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.98 1sm7 h ILE 22 Cb 1.34 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1sm7 h ILE 22 CO -0.06 0.00 -2.04 0.54 0.00 0.00 0.00 178.15 176.58 1sm7 n ARG 23 N -3.77 1.18 0.21 2.37 3.00 0.68 -4.52 116.66 115.80 1sm7 n ARG 23 Ca 0.04 0.03 0.18 0.00 -0.01 0.00 0.00 57.85 58.10 1sm7 n ARG 23 Cb 0.46 -1.38 0.82 0.00 0.00 0.00 0.00 32.46 32.36 1sm7 n ARG 23 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1sm7 h GLN 24 N 0.00 0.00 0.00 5.56 5.75 0.25 0.16 115.11 126.83 1sm7 h GLN 24 Ca -0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 1sm7 h GLN 24 Cb 1.82 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.37 1sm7 h GLN 24 CO -0.01 0.00 0.00 0.94 -2.65 0.00 0.00 178.83 177.11 1sm7 n GLN 25 N -3.50 0.08 -4.43 1.69 0.00 -0.76 -4.57 117.38 105.89 1sm7 n GLN 25 Ca 0.02 0.52 -0.22 0.00 -0.00 0.00 0.00 57.00 57.33 1sm7 n GLN 25 Cb 0.43 -1.73 -0.13 0.00 0.00 0.00 0.00 30.24 28.80 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sm7 s LEU 26 N -3.80 2.17 0.00 1.69 1.02 0.56 -5.02 118.68 115.30 1sm7 s LEU 26 Ca 0.00 -0.48 0.11 0.00 0.02 0.00 0.00 54.13 53.79 1sm7 s LEU 26 Cb 0.05 -0.71 0.60 0.00 0.02 0.00 0.00 46.19 46.15 1sm7 s LEU 26 CO 0.16 0.07 1.40 0.00 0.02 0.00 0.00 176.35 178.00 1sm7 n ALA 27 N 1.88 2.55 0.12 4.21 0.00 -1.26 -4.12 120.51 123.88 1sm7 n ALA 27 Ca -0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 1sm7 n ALA 27 Cb 0.54 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1sm7 n ALA 27 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sm7 h GLY 28 N 5.59 -0.36 -0.93 0.00 0.00 -1.94 -3.34 103.07 102.09 1sm7 h GLY 28 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 47.33 47.58 1sm7 h GLY 28 CO 0.00 -0.13 -0.48 0.23 0.00 0.00 0.00 176.54 176.16 1sm7 h SER 29 N -0.63 -1.76 -2.02 0.19 0.87 -1.82 -3.42 113.55 104.96 1sm7 h SER 29 Ca -0.03 0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.78 1sm7 h SER 29 Cb 0.26 0.83 0.03 0.00 -0.44 0.00 0.00 62.40 63.08 1sm7 h SER 29 CO 0.06 -0.27 0.04 -0.81 -0.53 0.00 0.00 176.83 175.32 1sm7 n PRO 30 N -5.37 -0.75 0.00 2.24 -0.04 -1.25 -5.01 135.00 124.81 1sm7 n PRO 30 Ca 0.06 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1sm7 n PRO 30 Cb 0.34 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 1sm7 n PRO 30 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1sm7 n PHE 31 N -2.56 0.00 0.88 0.54 1.16 -1.26 -4.93 117.46 111.29 1sm7 n PHE 31 Ca 0.02 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.72 1sm7 n PHE 31 Cb 0.09 0.00 0.15 0.00 -1.61 0.00 0.00 39.48 38.11 1sm7 n PHE 31 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1sm7 n SER 32 N -0.35 0.61 -3.23 5.98 2.88 -1.26 -4.77 113.62 113.48 1sm7 n SER 32 Ca 0.00 -0.31 -0.01 0.00 -1.33 0.00 0.00 58.87 57.22 1sm7 n SER 32 Cb 0.00 0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1sm7 s GLU 33 N -3.05 0.49 0.23 -1.46 2.12 -1.26 -5.04 118.70 110.72 1sm7 s GLU 33 Ca 0.09 0.81 -0.15 0.00 0.36 0.00 0.00 54.97 56.08 1sm7 s GLU 33 Cb 0.16 0.16 0.27 0.00 0.26 0.00 0.00 34.13 34.99 1sm7 s GLU 33 CO 0.74 -0.64 1.57 -0.91 -0.54 0.00 0.00 175.26 175.48 1sm7 h ASN 34 N 8.07 -1.14 -5.10 -1.70 2.35 -1.94 -3.44 115.58 112.68 1sm7 h ASN 34 Ca -0.21 0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1sm7 h ASN 34 Cb 1.16 0.64 -0.12 0.00 0.05 0.00 0.00 38.32 40.05 1sm7 h ASN 34 CO 0.26 -0.29 -0.05 0.00 -1.65 0.00 0.00 177.43 175.70 1sm7 s GLN 35 N -6.08 1.22 0.64 0.81 0.00 -1.26 -4.68 119.66 110.31 1sm7 s GLN 35 Ca -0.14 -0.83 0.30 0.00 -0.00 0.00 0.00 55.36 54.69 1sm7 s GLN 35 Cb 0.21 0.48 1.63 0.00 0.00 0.00 0.00 33.01 35.33 1sm7 s GLN 35 CO 0.73 -0.49 1.96 -1.49 0.00 0.00 0.00 175.29 175.99 1sm7 h TRP 36 N 2.31 0.00 0.00 9.60 4.06 -1.97 -3.44 115.95 126.50 1sm7 h TRP 36 Ca -0.31 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.64 1sm7 h TRP 36 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 1sm7 h TRP 36 CO 0.34 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.63 1sm7 n GLY 37 N -1.31 0.68 3.56 1.49 0.00 -1.26 -5.08 105.19 103.27 1sm7 n GLY 37 Ca 0.01 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1sm7 n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sm7 s PRO 38 N 0.00 2.95 0.14 1.61 0.04 -1.26 -4.88 135.00 133.60 1sm7 s PRO 38 Ca 0.00 0.45 -0.29 0.00 0.04 0.00 0.00 61.00 61.21 1sm7 s PRO 38 Cb 0.00 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1sm7 s PRO 38 CO 0.00 -2.36 1.57 0.37 0.04 0.00 0.00 177.00 176.62 1sm7 h GLN 39 N 12.86 -0.40 0.00 4.56 4.15 -1.98 0.21 115.11 134.51 1sm7 h GLN 39 Ca -0.27 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.15 1sm7 h GLN 39 Cb 1.12 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 1sm7 h GLN 39 CO 1.21 -0.27 -0.11 0.37 -1.93 0.00 0.00 178.83 178.10 1sm7 h GLN 40 N -0.42 0.00 -5.75 1.69 4.15 -1.95 -3.46 115.11 109.37 1sm7 h GLN 40 Ca 0.10 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.20 1sm7 h GLN 40 Cb 0.61 0.00 0.15 0.00 0.21 0.00 0.00 27.48 28.45 1sm7 h GLN 40 CO -0.49 0.11 -0.88 0.41 -1.93 0.00 0.00 178.83 176.05 1sm7 n GLY 41 N -0.77 -1.01 0.13 2.39 0.00 0.74 -4.94 105.19 101.73 1sm7 n GLY 41 Ca -0.02 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 1sm7 n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm7 h PRO 42 N -1.44 0.36 -4.48 1.61 0.13 -1.91 -3.37 132.00 122.89 1sm7 h PRO 42 Ca -0.63 -0.25 -0.65 0.00 -0.87 0.00 0.00 66.00 63.60 1sm7 h PRO 42 Cb 1.33 0.04 0.05 0.00 0.13 0.00 0.00 31.00 32.55 1sm7 h PRO 42 CO 0.47 0.87 2.28 0.43 -0.23 0.00 0.00 178.00 181.82 1sm7 n SER 43 N -4.45 2.49 0.00 1.44 7.64 -1.26 -3.02 113.62 116.45 1sm7 n SER 43 Ca -0.08 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1sm7 n SER 43 Cb 0.46 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1sm7 n SER 43 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1sm7 n LEU 44 N 7.49 0.00 0.15 -3.43 0.00 -1.26 -4.87 117.00 115.08 1sm7 n LEU 44 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 56.37 1sm7 n LEU 44 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.76 1sm7 n LEU 44 CO 1.04 0.00 0.67 0.03 0.00 0.00 0.00 177.39 179.13 1sm7 h ARG 45 N 0.00 -0.54 -0.49 1.96 -0.00 -1.82 0.70 114.38 114.19 1sm7 h ARG 45 Ca 0.00 0.04 0.09 0.00 -0.50 0.00 0.00 59.98 59.60 1sm7 h ARG 45 Cb 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 29.97 30.02 1sm7 h ARG 45 CO 0.00 -0.36 0.08 0.93 0.00 0.00 0.00 179.97 180.62 1sm7 h GLU 46 N -0.56 0.20 0.06 0.04 5.08 -1.92 0.72 114.58 118.20 1sm7 h GLU 46 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sm7 h GLU 46 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1sm7 h GLU 46 CO -0.12 0.13 -0.03 0.37 -1.00 0.00 0.00 179.01 178.37 1sm7 h GLN 47 N 0.21 -0.08 -0.28 2.33 4.15 -1.83 -2.62 115.11 116.99 1sm7 h GLN 47 Ca 0.25 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.75 1sm7 h GLN 47 Cb 0.34 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1sm7 h GLN 47 CO -0.34 0.26 0.21 0.00 -1.93 0.00 0.00 178.83 177.03 1sm7 n ASN 50 N -0.96 1.47 0.26 0.00 4.05 0.86 -4.37 115.26 116.57 1sm7 n ASN 50 Ca 0.16 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.32 1sm7 n ASN 50 Cb 0.07 0.00 0.69 0.00 1.23 0.00 0.00 39.78 41.77 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1sm7 h GLU 51 N 0.00 0.00 0.00 1.20 4.11 0.61 0.64 114.58 121.14 1sm7 h GLU 51 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1sm7 h GLU 51 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1sm7 h GLU 51 CO 0.00 0.12 -1.72 1.47 0.07 0.00 0.00 179.01 178.94 1sm7 n LEU 52 N -3.43 0.54 0.04 3.06 -0.00 -0.68 -4.37 117.00 112.15 1sm7 n LEU 52 Ca -0.01 0.24 0.03 0.00 -0.00 0.00 0.00 56.01 56.27 1sm7 n LEU 52 Cb 0.29 0.16 -0.08 0.00 -0.00 0.00 0.00 43.42 43.79 1sm7 n LEU 52 CO 0.30 0.20 -0.32 0.00 -0.00 0.00 0.00 177.39 177.57 1sm7 n TYR 53 N -2.76 0.83 0.13 1.47 4.19 -0.81 -3.69 117.16 116.52 1sm7 n TYR 53 Ca -0.14 0.27 0.15 0.00 3.31 0.00 0.00 57.90 61.49 1sm7 n TYR 53 Cb 0.87 -1.00 0.69 0.00 0.49 0.00 0.00 39.34 40.39 1sm7 n TYR 53 CO 0.00 0.00 0.00 -0.56 0.91 0.00 0.00 176.86 177.21 1sm7 h GLN 54 N 0.00 0.00 -0.13 2.98 3.07 0.06 0.20 115.11 121.30 1sm7 h GLN 54 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.60 1sm7 h GLN 54 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.01 1sm7 h GLN 54 CO 0.03 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.34 1sm7 n GLU 55 N -4.38 1.20 -0.01 0.06 1.02 -1.24 -5.02 120.64 112.27 1sm7 n GLU 55 Ca 0.04 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1sm7 n GLU 55 Cb 0.36 -1.09 -0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1sm7 n GLU 55 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1sm7 n ASP 56 N -0.25 -0.74 0.10 1.62 -0.08 0.70 -3.48 116.55 114.41 1sm7 n ASP 56 Ca 0.03 0.01 0.02 0.00 -1.51 0.00 0.00 54.79 53.34 1sm7 n ASP 56 Cb 0.08 -0.03 -0.02 0.00 2.34 0.00 0.00 41.12 43.49 1sm7 n ASP 56 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1sm7 h GLN 57 N 0.00 0.00 0.00 -0.67 7.50 -1.82 -3.23 115.11 116.89 1sm7 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1sm7 h GLN 57 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1sm7 h GLN 57 CO 0.00 0.38 0.00 0.28 -1.50 0.00 0.00 178.83 177.99 1sm7 n VAL 58 N -3.06 0.78 -0.26 -0.54 0.31 -1.26 -1.57 118.33 112.74 1sm7 n VAL 58 Ca -0.03 0.19 0.05 0.00 -0.01 0.00 0.00 64.34 64.54 1sm7 n VAL 58 Cb 0.76 -0.90 0.12 0.00 -0.91 0.00 0.00 33.84 32.91 1sm7 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n VAL 60 N 0.04 0.77 0.00 0.00 0.31 -0.61 -3.95 118.33 114.90 1sm7 n VAL 60 Ca 0.10 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1sm7 n VAL 60 Cb 0.44 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1sm7 n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n PRO 62 N -0.39 0.57 -0.33 0.00 -0.04 -1.26 -4.66 135.00 128.88 1sm7 n PRO 62 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1sm7 n PRO 62 Cb 0.00 -1.13 0.34 0.00 -0.04 0.00 0.00 33.50 32.67 1sm7 n PRO 62 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1sm7 h THR 63 N 0.00 0.59 -0.23 0.52 2.02 -1.81 0.28 112.91 114.28 1sm7 h THR 63 Ca 0.00 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.88 1sm7 h THR 63 Cb 0.13 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1sm7 h THR 63 CO 0.00 0.11 -0.28 -0.07 0.37 0.00 0.00 175.52 175.65 1sm7 h LEU 64 N 0.60 0.45 -1.19 2.58 3.38 -1.69 -2.47 115.31 116.98 1sm7 h LEU 64 Ca 0.59 -0.16 0.37 0.00 0.09 0.00 0.00 57.88 58.77 1sm7 h LEU 64 Cb 1.04 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 1sm7 h LEU 64 CO -0.45 0.72 0.68 0.50 0.09 0.00 0.00 178.44 179.98 1sm7 h LYS 65 N 0.39 0.20 0.35 1.13 3.64 -0.75 0.31 116.57 121.84 1sm7 h LYS 65 Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1sm7 h LYS 65 Cb 0.69 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1sm7 h LYS 65 CO 0.05 0.13 -0.17 1.96 -2.27 0.00 0.00 179.45 179.15 1sm7 h GLN 66 N 0.20 -0.46 0.00 1.90 7.50 -1.37 -2.17 115.11 120.72 1sm7 h GLN 66 Ca 0.76 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.95 1sm7 h GLN 66 Cb 2.05 0.10 0.00 0.00 0.05 0.00 0.00 27.48 29.68 1sm7 h GLN 66 CO -0.53 -0.30 0.32 0.00 -1.50 0.00 0.00 178.83 176.82 1sm7 h ALA 67 N -1.69 1.32 0.02 3.87 0.00 -1.37 0.60 119.26 122.02 1sm7 h ALA 67 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sm7 h ALA 67 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sm7 h ALA 67 CO 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 179.25 179.00 1sm7 h ALA 68 N 1.34 -0.03 0.00 0.00 0.00 -0.27 0.59 119.26 120.89 1sm7 h ALA 68 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sm7 h ALA 68 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1sm7 h ALA 68 CO 0.00 -0.19 0.00 0.87 0.00 0.00 0.00 179.25 179.93 1sm7 h LYS 69 N -0.68 0.00 0.00 0.00 1.57 -0.58 -2.90 116.57 113.98 1sm7 h LYS 69 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sm7 h LYS 69 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1sm7 h LYS 69 CO 0.00 0.00 -1.05 0.45 -0.57 0.00 0.00 179.45 178.28 1sm7 n SER 70 N -2.38 0.61 0.33 0.86 2.88 0.09 -4.07 113.62 111.93 1sm7 n SER 70 Ca 0.04 -0.08 0.22 0.00 -1.33 0.00 0.00 58.87 57.71 1sm7 n SER 70 Cb 0.34 0.76 1.12 0.00 -0.75 0.00 0.00 64.21 65.68 1sm7 n SER 70 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1sm7 h VAL 71 N 0.00 0.00 -4.04 2.46 3.04 0.40 -3.41 116.25 114.70 1sm7 h VAL 71 Ca 0.00 -0.10 -0.18 0.00 -1.01 0.00 0.00 66.70 65.41 1sm7 h VAL 71 Cb 0.79 1.10 -0.18 0.00 -2.01 0.00 0.00 31.29 31.00 1sm7 h VAL 71 CO 0.00 0.00 -0.70 -0.13 -1.01 0.00 0.00 177.57 175.73 1sm7 s ARG 72 N -4.05 0.54 -0.07 4.17 1.81 -1.26 -4.98 118.95 115.11 1sm7 s ARG 72 Ca -0.04 -0.97 -0.30 0.00 -1.72 0.00 0.00 55.73 52.71 1sm7 s ARG 72 Cb 0.12 0.03 0.10 0.00 -0.45 0.00 0.00 34.95 34.75 1sm7 s ARG 72 CO 0.44 -0.05 0.84 0.08 -0.68 0.00 0.00 175.30 175.93 1sm7 s VAL 73 N -2.69 0.00 0.00 3.52 1.01 -1.26 -4.89 120.40 116.09 1sm7 s VAL 73 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1sm7 s VAL 73 Cb -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1sm7 s VAL 73 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.05 1sm7 n GLN 74 N 0.50 0.00 -0.26 2.72 6.02 -1.26 -4.98 117.38 120.12 1sm7 n GLN 74 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.88 1sm7 n GLN 74 Cb 0.59 0.00 0.12 0.00 1.02 0.00 0.00 30.24 31.97 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sm7 n GLY 75 N -0.35 1.76 0.42 1.08 0.00 -1.26 -3.42 105.19 103.42 1sm7 n GLY 75 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1sm7 n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sm7 n GLN 76 N 0.18 0.00 -0.01 1.61 6.02 -1.26 -4.87 117.38 119.06 1sm7 n GLN 76 Ca 0.08 -0.36 0.08 0.00 -0.01 0.00 0.00 57.00 56.79 1sm7 n GLN 76 Cb 0.50 -0.20 -0.12 0.00 1.02 0.00 0.00 30.24 31.45 1sm7 n GLN 76 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1sm7 n HIS 77 N 0.00 0.00 -0.56 1.08 -0.00 -1.22 -5.09 115.22 109.43 1sm7 n HIS 77 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1sm7 n HIS 77 Cb 0.57 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sm7 n GLY 78 N 1.50 0.65 3.65 1.57 0.00 -1.26 -4.34 105.19 106.96 1sm7 n GLY 78 Ca -0.01 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1sm7 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sm7 s PRO 79 N 0.00 4.12 0.00 1.61 0.04 -1.26 -4.60 135.00 134.91 1sm7 s PRO 79 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1sm7 s PRO 79 Cb 0.00 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1sm7 s PRO 79 CO 0.00 -0.85 0.00 1.19 0.04 0.00 0.00 177.00 177.38 1sm7 n PHE 80 N 6.94 -0.68 -0.32 0.56 3.72 -1.26 -4.97 117.46 121.45 1sm7 n PHE 80 Ca 0.14 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.65 1sm7 n PHE 80 Cb 0.46 0.14 0.24 0.00 -0.94 0.00 0.00 39.48 39.37 1sm7 n PHE 80 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1sm7 h GLN 81 N 0.00 0.04 -0.97 -1.08 -0.00 -1.86 0.25 115.11 111.48 1sm7 h GLN 81 Ca 0.00 -0.00 0.25 0.00 -0.00 0.00 0.00 58.65 58.90 1sm7 h GLN 81 Cb 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.48 27.41 1sm7 h GLN 81 CO 0.00 0.03 0.66 1.03 -0.00 0.00 0.00 178.83 180.55 1sm7 h SER 82 N 0.04 0.25 -0.84 0.06 0.87 -1.93 0.61 113.55 112.63 1sm7 h SER 82 Ca 0.54 0.04 0.20 0.00 -1.23 0.00 0.00 61.79 61.33 1sm7 h SER 82 Cb 1.04 -0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 62.87 1sm7 h SER 82 CO -0.86 0.08 0.29 0.00 -0.53 0.00 0.00 176.83 175.81 1sm7 h THR 83 N 0.24 0.47 0.00 2.23 1.03 -0.89 -1.86 112.91 114.13 1sm7 h THR 83 Ca 0.50 -0.11 -0.39 0.00 -0.01 0.00 0.00 66.41 66.40 1sm7 h THR 83 Cb 1.55 0.11 -0.06 0.00 -1.07 0.00 0.00 68.15 68.68 1sm7 h THR 83 CO -0.14 0.06 -2.35 0.54 -0.01 0.00 0.00 175.52 173.62 1sm7 n ARG 84 N -5.11 0.54 -0.48 0.00 5.12 0.16 -3.32 116.66 113.57 1sm7 n ARG 84 Ca 0.19 0.20 0.40 0.00 -1.93 0.00 0.00 57.85 56.70 1sm7 n ARG 84 Cb 0.58 -1.40 0.72 0.00 -1.16 0.00 0.00 32.46 31.19 1sm7 n ARG 84 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1sm7 h ILE 85 N -0.57 0.21 0.00 0.55 5.03 -0.09 0.42 117.51 123.06 1sm7 h ILE 85 Ca -0.59 -0.02 -0.32 0.00 -0.12 0.00 0.00 64.86 63.81 1sm7 h ILE 85 Cb 1.64 0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 35.52 1sm7 h ILE 85 CO -0.27 0.01 -1.73 -1.22 -0.68 0.00 0.00 178.15 174.25 1sm7 n TYR 86 N -4.31 0.66 0.14 1.37 4.02 -0.70 -2.02 117.16 116.32 1sm7 n TYR 86 Ca 0.35 0.28 0.18 0.00 -0.01 0.00 0.00 57.90 58.70 1sm7 n TYR 86 Cb 1.49 -1.07 0.68 0.00 -0.02 0.00 0.00 39.34 40.43 1sm7 n TYR 86 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1sm7 h GLN 87 N -0.98 0.00 0.00 -0.72 1.08 -0.83 0.50 115.11 114.16 1sm7 h GLN 87 Ca -0.48 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.39 1sm7 h GLN 87 Cb 1.43 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.80 1sm7 h GLN 87 CO -0.28 0.00 -2.24 -0.89 -0.95 0.00 0.00 178.83 174.47 1sm7 n ILE 88 N -3.33 1.24 1.39 2.54 5.41 0.12 -4.30 119.36 122.43 1sm7 n ILE 88 Ca 0.06 -0.73 0.03 0.00 1.00 0.00 0.00 62.75 63.11 1sm7 n ILE 88 Cb 0.69 -0.63 0.07 0.00 -0.71 0.00 0.00 39.64 39.06 1sm7 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sm7 n ALA 89 N -2.73 2.51 -0.09 -1.39 0.00 0.32 -3.72 120.51 115.40 1sm7 n ALA 89 Ca -0.31 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 1sm7 n ALA 89 Cb 1.06 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 1sm7 n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sm7 n LYS 90 N -0.00 1.05 -0.17 0.00 -0.00 0.15 -4.12 118.16 115.07 1sm7 n LYS 90 Ca 0.06 0.02 0.05 0.00 -0.00 0.00 0.00 58.31 58.44 1sm7 n LYS 90 Cb 0.17 -1.44 0.14 0.00 -0.00 0.00 0.00 35.03 33.90 1sm7 n LYS 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1sm7 n ASN 91 N -2.75 1.71 0.13 -5.58 6.94 -1.24 -4.26 115.26 110.20 1sm7 n ASN 91 Ca -0.30 -2.02 -0.12 0.00 -0.02 0.00 0.00 54.58 52.12 1sm7 n ASN 91 Cb 1.03 -0.23 -0.07 0.00 -2.36 0.00 0.00 39.78 38.15 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1sm7 h LEU 92 N 1.78 -0.31 0.00 -4.53 3.38 -1.72 -2.03 115.31 111.88 1sm7 h LEU 92 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1sm7 h LEU 92 Cb 0.45 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sm7 h LEU 92 CO 0.01 0.14 0.00 -0.81 0.09 0.00 0.00 178.44 177.87 1sm7 n PRO 93 N -5.06 0.58 -0.04 1.13 -0.04 -1.26 0.19 135.00 130.49 1sm7 n PRO 93 Ca -0.09 0.02 -0.19 0.00 -0.04 0.00 0.00 63.50 63.20 1sm7 n PRO 93 Cb 0.26 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 1sm7 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sm7 n ASN 94 N -1.04 1.93 -0.00 3.54 3.02 -1.20 -3.14 115.26 118.36 1sm7 n ASN 94 Ca 0.14 0.10 0.09 0.00 -0.03 0.00 0.00 54.58 54.88 1sm7 n ASN 94 Cb 0.08 -0.60 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 1sm7 n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1sm7 n VAL 95 N -3.36 0.00 -2.35 2.41 0.31 -0.77 -4.27 118.33 110.30 1sm7 n VAL 95 Ca -0.36 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 63.79 1sm7 n VAL 95 Cb 1.03 0.88 0.05 0.00 -0.91 0.00 0.00 33.84 34.90 1sm7 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n ASN 97 N -0.60 0.17 -0.06 0.00 3.02 -1.19 -4.59 115.26 112.02 1sm7 n ASN 97 Ca 0.24 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1sm7 n ASN 97 Cb 0.89 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1sm7 n ASN 97 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1sm7 n MET 98 N 2.07 0.00 -3.48 3.52 0.00 -1.26 -4.98 117.12 113.00 1sm7 n MET 98 Ca 0.15 -0.48 -0.28 0.00 0.00 0.00 0.00 57.70 57.09 1sm7 n MET 98 Cb -0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 33.22 32.66 1sm7 n MET 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1sm7 s LYS 99 N 0.00 0.43 -0.42 3.17 2.20 -1.26 -4.62 119.74 119.24 1sm7 s LYS 99 Ca 0.00 -1.01 0.01 0.00 -0.36 0.00 0.00 55.97 54.61 1sm7 s LYS 99 Cb 0.00 -1.19 0.42 0.00 -1.51 0.00 0.00 37.83 35.55 1sm7 s LYS 99 CO 0.00 -1.14 1.85 0.94 -0.36 0.00 0.00 175.35 176.64 1sm7 n GLN 100 N 4.47 2.10 0.06 4.03 0.00 -1.26 -4.39 117.38 122.39 1sm7 n GLN 100 Ca 0.06 -2.36 0.00 0.00 -0.00 0.00 0.00 57.00 54.70 1sm7 n GLN 100 Cb 0.39 -1.93 0.00 0.00 0.00 0.00 0.00 30.24 28.71 1sm7 n GLN 100 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1sm7 n ILE 101 N -0.54 0.43 0.00 1.69 0.13 -1.26 -5.12 119.36 114.69 1sm7 n ILE 101 Ca 0.46 0.14 0.00 0.00 -1.10 0.00 0.00 62.75 62.25 1sm7 n ILE 101 Cb 1.02 -0.88 0.00 0.00 -0.84 0.00 0.00 39.64 38.93 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1sm7 n GLY 102 N 2.54 0.80 0.11 4.50 0.00 -1.26 -5.09 105.19 106.79 1sm7 n GLY 102 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.23 1sm7 n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sm7 n THR 103 N 0.00 1.50 -3.07 2.61 -1.04 -1.26 -4.81 114.28 108.22 1sm7 n THR 103 Ca 0.00 -0.07 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 1sm7 n THR 103 Cb 0.00 -2.13 -0.03 0.00 -1.82 0.00 0.00 70.33 66.35 1sm7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sm7 n PRO 105 N 1.36 1.43 -2.30 0.00 -0.04 -1.26 -4.90 135.00 129.29 1sm7 n PRO 105 Ca 0.18 -0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 62.49 1sm7 n PRO 105 Cb 0.57 -1.95 -0.01 0.00 -0.04 0.00 0.00 33.50 32.07 1sm7 n PRO 105 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1sm7 s PHE 106 N 2.10 2.84 0.00 0.54 -0.71 -1.26 -5.03 117.98 116.46 1sm7 s PHE 106 Ca 0.41 1.55 0.00 0.00 -1.04 0.00 0.00 56.93 57.85 1sm7 s PHE 106 Cb 0.18 -3.15 0.00 0.00 -1.21 0.00 0.00 43.02 38.83 1sm7 s PHE 106 CO -0.01 -1.23 0.00 0.44 -1.34 0.00 0.00 175.22 173.08 1sm7 n ILE 107 N -1.36 0.00 0.00 -4.49 -5.35 -1.26 -4.97 119.36 101.94 1sm7 n ILE 107 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 1sm7 n ILE 107 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sm7 n ALA 108 N 0.00 0.00 0.00 -1.28 0.00 -1.26 -5.25 120.51 112.72 1sm7 n ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sm7 n ALA 108 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94