#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm7 s PRO 2 N 0.00 3.26 0.44 3.69 0.04 -1.26 -4.87 135.00 136.30 1sm7 s PRO 2 Ca 0.00 0.70 0.13 0.00 0.04 0.00 0.00 61.00 61.87 1sm7 s PRO 2 Cb 0.00 -4.15 0.96 0.00 0.04 0.00 0.00 34.50 31.35 1sm7 s PRO 2 CO 0.00 -1.97 1.99 0.37 0.04 0.00 0.00 177.00 177.44 1sm7 h GLN 3 N 11.78 0.10 -1.71 4.56 5.75 -1.96 0.34 115.11 133.98 1sm7 h GLN 3 Ca -0.28 -0.02 0.50 0.00 -0.15 0.00 0.00 58.65 58.70 1sm7 h GLN 3 Cb 1.11 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.58 1sm7 h GLN 3 CO 1.15 0.23 1.23 1.57 -2.65 0.00 0.00 178.83 180.35 1sm7 h LYS 4 N 0.10 0.00 0.00 1.69 2.10 -1.95 1.13 116.57 119.64 1sm7 h LYS 4 Ca 0.02 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.62 1sm7 h LYS 4 Cb 0.27 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 1sm7 h LYS 4 CO 0.02 0.00 -1.20 0.00 -2.00 0.00 0.00 179.45 176.27 1sm7 n GLN 6 N -2.44 0.05 -0.00 0.00 6.02 0.11 0.88 117.38 122.00 1sm7 n GLN 6 Ca -0.06 0.47 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 1sm7 n GLN 6 Cb 0.57 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 30.13 1sm7 n GLN 6 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1sm7 n ARG 7 N -1.72 2.20 -0.01 -1.09 0.63 0.38 -3.95 116.66 113.11 1sm7 n ARG 7 Ca 0.01 -0.01 0.03 0.00 -0.92 0.00 0.00 57.85 56.95 1sm7 n ARG 7 Cb 0.07 -1.18 -0.06 0.00 0.45 0.00 0.00 32.46 31.73 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sm7 n GLU 8 N -1.38 0.69 0.08 -0.14 -0.58 0.22 -3.69 120.64 115.84 1sm7 n GLU 8 Ca 0.02 -0.06 -0.22 0.00 -0.42 0.00 0.00 57.16 56.48 1sm7 n GLU 8 Cb 0.23 -1.19 -0.15 0.00 -0.57 0.00 0.00 31.44 29.76 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1sm7 h PHE 9 N 0.00 0.69 0.00 -0.32 3.04 0.27 -3.32 116.94 117.30 1sm7 h PHE 9 Ca -0.04 -0.50 0.00 0.00 3.98 0.00 0.00 57.97 61.41 1sm7 h PHE 9 Cb 0.57 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1sm7 h PHE 9 CO 0.00 1.61 -1.08 0.94 -2.02 0.00 0.00 178.31 177.77 1sm7 n GLN 10 N -3.57 0.17 -0.14 1.11 7.27 -1.25 -1.41 117.38 119.55 1sm7 n GLN 10 Ca -0.23 -0.03 -0.06 0.00 0.07 0.00 0.00 57.00 56.76 1sm7 n GLN 10 Cb 1.07 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 32.20 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 -0.18 0.00 3.69 -0.00 -1.66 -3.41 115.11 113.55 1sm7 h GLN 11 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1sm7 h GLN 11 Cb 0.63 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 1sm7 h GLN 11 CO 0.00 -0.12 -0.00 -0.85 0.00 0.00 0.00 178.83 177.86 1sm7 n GLU 12 N -5.41 0.00 -2.70 1.69 0.28 -1.26 -5.01 120.64 108.23 1sm7 n GLU 12 Ca 0.02 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.94 1sm7 n GLU 12 Cb 0.33 0.35 0.10 0.00 1.43 0.00 0.00 31.44 33.64 1sm7 n GLU 12 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1sm7 n GLN 13 N -0.00 1.18 0.00 3.44 6.02 -1.23 -5.12 117.38 121.66 1sm7 n GLN 13 Ca -0.00 -2.18 0.00 0.00 -0.01 0.00 0.00 57.00 54.81 1sm7 n GLN 13 Cb 0.33 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 31.21 1sm7 n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1sm7 n HIS 14 N -0.43 0.00 -4.56 1.08 8.25 -0.50 -4.72 115.22 114.34 1sm7 n HIS 14 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 1sm7 n HIS 14 Cb 0.83 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.84 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 2.62 0.00 2.41 1.43 -1.26 -5.03 118.68 118.85 1sm7 s LEU 15 Ca 0.00 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1sm7 s LEU 15 Cb 0.00 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1sm7 s LEU 15 CO 0.00 -0.51 0.00 0.54 0.23 0.00 0.00 176.35 176.61 1sm7 n ARG 16 N -0.87 0.00 0.29 1.70 5.12 -1.26 -4.72 116.66 116.92 1sm7 n ARG 16 Ca -0.04 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 55.98 1sm7 n ARG 16 Cb 0.67 0.00 0.57 0.00 -1.16 0.00 0.00 32.46 32.54 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sm7 h ALA 17 N 0.10 1.41 0.00 7.54 0.00 -1.96 0.71 119.26 127.07 1sm7 h ALA 17 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1sm7 h ALA 17 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1sm7 h ALA 17 CO 0.00 -0.41 -1.02 0.00 0.00 0.00 0.00 179.25 177.82 1sm7 n GLN 19 N -4.47 1.79 0.00 0.00 -0.00 0.59 -3.94 117.38 111.35 1sm7 n GLN 19 Ca -0.27 -1.59 0.00 0.00 -0.00 0.00 0.00 57.00 55.14 1sm7 n GLN 19 Cb 0.62 -1.65 0.00 0.00 -0.00 0.00 0.00 30.24 29.21 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1sm7 n GLN 20 N -0.30 0.00 0.01 2.61 1.13 0.22 -4.60 117.38 116.45 1sm7 n GLN 20 Ca 0.30 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.40 1sm7 n GLN 20 Cb 1.08 -0.68 0.43 0.00 0.11 0.00 0.00 30.24 31.19 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1sm7 h TRP 21 N 0.00 0.49 -0.06 1.08 5.08 -1.63 0.82 115.95 121.73 1sm7 h TRP 21 Ca 0.00 0.01 -0.12 0.00 1.08 0.00 0.00 58.89 59.86 1sm7 h TRP 21 Cb 0.39 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.37 1sm7 h TRP 21 CO 0.00 0.31 -0.52 0.82 -1.28 0.00 0.00 178.44 177.77 1sm7 h ILE 22 N 0.53 1.36 0.00 0.12 2.04 -1.85 -1.68 117.51 118.04 1sm7 h ILE 22 Ca 0.15 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1sm7 h ILE 22 Cb -0.05 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1sm7 h ILE 22 CO -0.03 0.52 0.00 0.03 0.00 0.00 0.00 178.15 178.67 1sm7 h ARG 23 N 0.13 0.00 0.00 2.37 -0.00 -1.10 -1.69 114.38 114.10 1sm7 h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1sm7 h ARG 23 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.93 1sm7 h ARG 23 CO 0.08 0.00 -0.10 1.04 0.00 0.00 0.00 179.97 180.98 1sm7 n GLN 24 N -2.80 0.17 0.03 0.04 6.02 -0.63 -3.20 117.38 117.02 1sm7 n GLN 24 Ca 0.00 0.12 0.09 0.00 -0.01 0.00 0.00 57.00 57.20 1sm7 n GLN 24 Cb 0.22 -1.68 0.39 0.00 1.02 0.00 0.00 30.24 30.19 1sm7 n GLN 24 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1sm7 n GLN 25 N -1.97 0.05 -1.27 -1.09 1.13 -0.63 -4.70 117.38 108.90 1sm7 n GLN 25 Ca 0.06 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 1sm7 n GLN 25 Cb 0.40 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1sm7 n GLN 25 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1sm7 n LEU 26 N -1.67 0.00 -0.96 1.08 4.32 -1.19 -5.00 117.00 113.57 1sm7 n LEU 26 Ca 0.04 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.07 1sm7 n LEU 26 Cb 0.21 0.00 0.17 0.00 -1.62 0.00 0.00 43.42 42.19 1sm7 n LEU 26 CO 0.17 -0.15 0.57 0.00 -1.22 0.00 0.00 177.39 176.76 1sm7 n ALA 27 N -3.00 2.90 1.55 -1.18 0.00 -1.26 -4.04 120.51 115.48 1sm7 n ALA 27 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.67 1sm7 n ALA 27 Cb 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.46 1sm7 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm7 n GLY 28 N 0.55 -0.17 3.21 0.00 0.00 -1.26 -4.81 105.19 102.70 1sm7 n GLY 28 Ca 0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1sm7 n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sm7 s SER 29 N -0.83 -0.15 1.13 1.61 0.15 -1.26 -4.89 113.70 109.47 1sm7 s SER 29 Ca 0.06 0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.60 1sm7 s SER 29 Cb 0.03 0.30 0.21 0.00 -1.71 0.00 0.00 66.02 64.86 1sm7 s SER 29 CO 0.03 -0.42 0.89 -0.81 1.20 0.00 0.00 173.24 174.13 1sm7 n PRO 30 N 1.38 -2.15 -3.55 5.44 -0.04 -1.26 -5.03 135.00 129.80 1sm7 n PRO 30 Ca -0.21 -1.40 -0.17 0.00 -0.04 0.00 0.00 63.50 61.67 1sm7 n PRO 30 Cb 0.56 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 1sm7 n PRO 30 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sm7 s PHE 31 N -2.72 -0.63 0.00 0.54 0.08 -1.26 -4.89 117.98 109.09 1sm7 s PHE 31 Ca 0.55 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.73 1sm7 s PHE 31 Cb -0.04 0.37 0.00 0.00 -0.57 0.00 0.00 43.02 42.78 1sm7 s PHE 31 CO 0.41 -0.57 0.00 0.43 -0.10 0.00 0.00 175.22 175.39 1sm7 n SER 32 N 1.10 0.00 -2.04 1.36 7.64 -1.26 -5.09 113.62 115.33 1sm7 n SER 32 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1sm7 n SER 32 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sm7 n GLU 33 N -0.88 0.44 -3.36 1.43 1.02 -1.26 -5.07 120.64 112.95 1sm7 n GLU 33 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1sm7 n GLU 33 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1sm7 n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sm7 s ASN 34 N -1.00 6.70 -0.26 1.62 0.01 -1.26 -4.78 114.94 115.98 1sm7 s ASN 34 Ca 0.00 1.01 -0.38 0.00 -0.71 0.00 0.00 52.86 52.78 1sm7 s ASN 34 Cb 0.00 -2.26 0.16 0.00 0.41 0.00 0.00 41.25 39.55 1sm7 s ASN 34 CO 0.00 -0.04 1.39 -1.58 -1.51 0.00 0.00 177.10 175.36 1sm7 s GLN 35 N -2.60 0.03 0.52 -0.60 2.00 -1.26 -4.80 119.66 112.96 1sm7 s GLN 35 Ca 0.46 -0.01 0.38 0.00 -2.00 0.00 0.00 55.36 54.18 1sm7 s GLN 35 Cb -0.12 0.01 1.55 0.00 0.80 0.00 0.00 33.01 35.25 1sm7 s GLN 35 CO 0.20 -0.01 1.73 2.35 -0.50 0.00 0.00 175.29 179.05 1sm7 h TRP 36 N 2.00 0.12 0.00 1.67 2.91 -1.99 -3.44 115.95 117.22 1sm7 h TRP 36 Ca -0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.95 1sm7 h TRP 36 Cb 1.14 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 1sm7 h TRP 36 CO 0.30 -0.01 0.00 0.41 -1.03 0.00 0.00 178.44 178.10 1sm7 n GLY 37 N -1.76 -2.21 3.37 2.65 0.00 -1.26 -5.04 105.19 100.95 1sm7 n GLY 37 Ca 0.32 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.69 1sm7 n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 38 N -0.54 2.17 0.05 1.61 -0.04 -1.26 -4.72 135.00 132.26 1sm7 n PRO 38 Ca 0.00 -2.57 0.04 0.00 -0.04 0.00 0.00 63.50 60.93 1sm7 n PRO 38 Cb 0.00 -3.44 0.45 0.00 -0.04 0.00 0.00 33.50 30.47 1sm7 n PRO 38 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1sm7 h GLN 39 N 8.27 0.44 -0.00 0.54 -0.00 -1.86 0.21 115.11 122.71 1sm7 h GLN 39 Ca 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.99 1sm7 h GLN 39 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.21 1sm7 h GLN 39 CO 1.53 0.31 -0.14 0.94 0.00 0.00 0.00 178.83 181.48 1sm7 n GLN 40 N -4.47 0.69 -2.99 1.69 0.00 -1.26 -4.20 117.38 106.85 1sm7 n GLN 40 Ca 0.02 -0.27 -0.15 0.00 -0.00 0.00 0.00 57.00 56.60 1sm7 n GLN 40 Cb 0.08 -1.49 0.01 0.00 0.00 0.00 0.00 30.24 28.84 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sm7 n GLY 41 N 1.29 2.10 0.14 1.69 0.00 0.45 -4.96 105.19 105.90 1sm7 n GLY 41 Ca 0.14 -0.89 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 3.23 0.11 -4.38 1.61 0.13 -0.91 -3.37 132.00 128.42 1sm7 h PRO 42 Ca 0.00 -0.09 -0.66 0.00 -0.87 0.00 0.00 66.00 64.37 1sm7 h PRO 42 Cb 1.01 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.17 1sm7 h PRO 42 CO 0.35 0.76 2.56 0.43 -0.23 0.00 0.00 178.00 181.88 1sm7 n SER 43 N -3.76 3.11 0.00 1.44 7.64 -1.26 -3.88 113.62 116.91 1sm7 n SER 43 Ca -0.02 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.11 1sm7 n SER 43 Cb 0.68 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1sm7 n SER 43 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sm7 n LEU 44 N 7.26 1.20 0.18 -3.43 4.77 -1.26 -4.61 117.00 121.10 1sm7 n LEU 44 Ca 0.50 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.41 1sm7 n LEU 44 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1sm7 n LEU 44 CO 0.97 0.15 0.44 0.03 -1.33 0.00 0.00 177.39 177.65 1sm7 h ARG 45 N 0.00 -0.44 -0.00 3.23 2.47 -1.86 0.75 114.38 118.53 1sm7 h ARG 45 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1sm7 h ARG 45 Cb 0.50 0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1sm7 h ARG 45 CO 0.00 -0.29 0.19 0.93 0.56 0.00 0.00 179.97 181.36 1sm7 h GLU 46 N -0.51 0.00 0.00 0.04 5.08 -1.90 0.79 114.58 118.08 1sm7 h GLU 46 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1sm7 h GLU 46 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1sm7 h GLU 46 CO 0.08 0.00 -0.34 1.96 -1.00 0.00 0.00 179.01 179.70 1sm7 h GLN 47 N 0.00 0.00 -0.31 2.33 4.20 -1.74 -3.28 115.11 116.32 1sm7 h GLN 47 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 1sm7 h GLN 47 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1sm7 h GLN 47 CO -0.00 0.68 -0.07 0.00 -0.67 0.00 0.00 178.83 178.78 1sm7 n ASN 50 N -3.53 2.25 0.06 0.00 3.02 -0.80 -3.93 115.26 112.34 1sm7 n ASN 50 Ca 0.10 -0.12 0.07 0.00 -0.03 0.00 0.00 54.58 54.60 1sm7 n ASN 50 Cb 0.83 -0.33 0.31 0.00 -0.61 0.00 0.00 39.78 39.98 1sm7 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1sm7 n GLU 51 N -3.14 0.07 -0.02 3.52 0.28 0.28 0.93 120.64 122.56 1sm7 n GLU 51 Ca -0.39 0.44 0.07 0.00 -0.16 0.00 0.00 57.16 57.11 1sm7 n GLU 51 Cb 0.92 -1.67 -0.15 0.00 1.43 0.00 0.00 31.44 31.98 1sm7 n GLU 51 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1sm7 n LEU 52 N -1.80 0.00 -0.09 -1.84 -0.00 0.26 -4.48 117.00 109.06 1sm7 n LEU 52 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.94 1sm7 n LEU 52 Cb 0.10 0.07 -0.15 0.00 -0.00 0.00 0.00 43.42 43.45 1sm7 n LEU 52 CO 0.10 0.07 -1.09 0.00 -0.00 0.00 0.00 177.39 176.47 1sm7 n TYR 53 N -2.24 0.00 0.04 1.47 9.36 -0.29 -3.62 117.16 121.88 1sm7 n TYR 53 Ca -0.08 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.36 1sm7 n TYR 53 Cb 0.59 -0.90 0.73 0.00 -0.63 0.00 0.00 39.34 39.13 1sm7 n TYR 53 CO 0.00 0.00 0.00 -0.56 0.22 0.00 0.00 176.86 176.52 1sm7 h GLN 54 N 0.00 0.00 -0.86 2.98 3.07 0.33 0.64 115.11 121.26 1sm7 h GLN 54 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1sm7 h GLN 54 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.64 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 -3.86 1.70 -0.00 0.06 1.02 -1.26 -5.00 120.64 113.30 1sm7 n GLU 55 Ca 0.09 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1sm7 n GLU 55 Cb 0.68 -1.60 -0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.10 -0.75 0.06 1.62 2.03 0.22 -3.67 116.55 116.17 1sm7 n ASP 56 Ca 0.05 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.41 1sm7 n ASP 56 Cb 0.40 -0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.76 1sm7 n ASP 56 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1sm7 h GLN 57 N 0.00 0.00 0.00 -0.67 -0.00 -1.87 -2.97 115.11 109.59 1sm7 h GLN 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1sm7 h GLN 57 CO 0.00 0.19 0.00 0.28 0.00 0.00 0.00 178.83 179.30 1sm7 n VAL 58 N -2.83 0.11 -0.02 2.39 0.31 -1.26 -2.51 118.33 114.53 1sm7 n VAL 58 Ca -0.06 0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.29 1sm7 n VAL 58 Cb 0.73 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1sm7 n VAL 58 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 h VAL 60 N 0.00 0.29 0.00 0.00 2.07 -1.32 -2.94 116.25 114.36 1sm7 h VAL 60 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sm7 h VAL 60 Cb 1.09 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1sm7 h VAL 60 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1sm7 n PRO 62 N -0.31 0.42 -0.32 0.00 -0.04 -1.26 -4.65 135.00 128.84 1sm7 n PRO 62 Ca 0.00 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1sm7 n PRO 62 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 1sm7 n PRO 62 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1sm7 n THR 63 N -1.10 -0.38 -0.34 0.52 -1.04 -1.25 0.83 114.28 111.51 1sm7 n THR 63 Ca 0.11 2.01 0.21 0.00 -2.04 0.00 0.00 64.05 64.35 1sm7 n THR 63 Cb 0.08 -2.89 0.45 0.00 -1.82 0.00 0.00 70.33 66.15 1sm7 n THR 63 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1sm7 h LEU 64 N 0.00 0.57 -1.53 -4.42 6.46 -1.66 0.53 115.31 115.27 1sm7 h LEU 64 Ca 0.51 0.15 0.50 0.00 -0.12 0.00 0.00 57.88 58.93 1sm7 h LEU 64 Cb 0.99 0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 40.87 1sm7 h LEU 64 CO -0.87 -0.01 1.02 1.17 -0.62 0.00 0.00 178.44 179.12 1sm7 n LYS 65 N -4.92 -0.03 0.00 1.25 0.00 0.24 -0.33 118.16 114.38 1sm7 n LYS 65 Ca 0.29 1.21 0.00 0.00 0.00 0.00 0.00 58.31 59.82 1sm7 n LYS 65 Cb 0.89 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 33.43 1sm7 n LYS 65 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1sm7 n GLN 66 N -4.53 0.00 0.20 1.64 -0.06 0.19 0.12 117.38 114.93 1sm7 n GLN 66 Ca 0.41 0.44 0.17 0.00 -2.00 0.00 0.00 57.00 56.03 1sm7 n GLN 66 Cb 1.68 -1.40 0.72 0.00 -4.06 0.00 0.00 30.24 27.18 1sm7 n GLN 66 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sm7 h ALA 67 N -2.00 1.81 0.00 1.69 0.00 -1.01 0.74 119.26 120.49 1sm7 h ALA 67 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1sm7 h ALA 67 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1sm7 h ALA 67 CO 0.00 -0.59 -1.40 0.00 0.00 0.00 0.00 179.25 177.26 1sm7 h ALA 68 N 1.28 0.67 -0.06 0.00 0.00 -0.58 -2.60 119.26 117.98 1sm7 h ALA 68 Ca 0.11 -1.05 -0.16 0.00 0.00 0.00 0.00 54.91 53.81 1sm7 h ALA 68 Cb 1.05 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1sm7 h ALA 68 CO -0.00 1.17 -0.68 -0.22 0.00 0.00 0.00 179.25 179.52 1sm7 h LYS 69 N 0.00 0.26 -0.66 0.00 1.63 0.71 -2.78 116.57 115.73 1sm7 h LYS 69 Ca -0.18 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1sm7 h LYS 69 Cb 1.74 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1sm7 h LYS 69 CO 0.07 0.85 0.00 0.45 -3.45 0.00 0.00 179.45 177.36 1sm7 n SER 70 N -3.82 4.42 0.18 4.20 2.88 0.06 -4.18 113.62 117.36 1sm7 n SER 70 Ca -0.03 -2.28 0.13 0.00 -1.33 0.00 0.00 58.87 55.35 1sm7 n SER 70 Cb 0.67 -0.54 0.64 0.00 -0.75 0.00 0.00 64.21 64.23 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 4.06 0.00 0.00 2.46 3.04 -1.16 -3.42 116.25 121.23 1sm7 h VAL 71 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1sm7 h VAL 71 Cb 1.27 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1sm7 h VAL 71 CO 0.14 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.56 1sm7 n ARG 72 N -2.37 0.00 -0.93 4.17 0.00 -1.26 -4.79 116.66 111.48 1sm7 n ARG 72 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 1sm7 n ARG 72 Cb 0.09 0.00 0.08 0.00 0.00 0.00 0.00 32.46 32.63 1sm7 n ARG 72 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1sm7 n VAL 73 N -1.67 0.07 -1.94 5.15 3.14 -1.26 -4.94 118.33 116.88 1sm7 n VAL 73 Ca 0.00 -0.36 -0.01 0.00 -2.96 0.00 0.00 64.34 61.01 1sm7 n VAL 73 Cb 0.00 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 1sm7 n VAL 73 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1sm7 n GLN 74 N 0.51 0.11 0.00 1.45 7.27 -1.26 -4.48 117.38 120.97 1sm7 n GLN 74 Ca 0.03 -0.23 0.00 0.00 0.07 0.00 0.00 57.00 56.86 1sm7 n GLN 74 Cb 0.54 0.35 0.00 0.00 2.41 0.00 0.00 30.24 33.55 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sm7 n GLY 75 N -0.12 -0.31 0.00 1.69 0.00 -1.26 -5.09 105.19 100.10 1sm7 n GLY 75 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1sm7 n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sm7 n GLN 76 N 0.00 0.00 0.00 1.61 7.27 -1.26 -5.03 117.38 119.97 1sm7 n GLN 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1sm7 n GLN 76 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1sm7 n GLN 76 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1sm7 n HIS 77 N 0.00 0.00 -1.22 3.69 -0.00 -1.26 -5.11 115.22 111.31 1sm7 n HIS 77 Ca 0.00 -0.27 0.14 0.00 0.46 0.00 0.00 57.72 58.06 1sm7 n HIS 77 Cb 0.00 -0.03 -0.04 0.00 -0.12 0.00 0.00 29.99 29.81 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 -0.27 -1.39 3.55 1.57 0.00 -1.26 -4.36 105.19 103.03 1sm7 n GLY 78 Ca 0.00 -0.86 -0.38 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 -1.84 2.81 0.31 1.61 0.04 -1.26 -4.42 135.00 132.24 1sm7 s PRO 79 Ca 0.00 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1sm7 s PRO 79 Cb 0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1sm7 s PRO 79 CO 0.00 -2.62 0.00 0.34 0.04 0.00 0.00 177.00 174.76 1sm7 n PHE 80 N 11.81 -3.37 0.10 0.56 7.35 -1.26 -4.93 117.46 127.72 1sm7 n PHE 80 Ca 0.18 0.91 -0.09 0.00 -0.76 0.00 0.00 57.45 57.68 1sm7 n PHE 80 Cb 0.51 2.24 -0.06 0.00 0.35 0.00 0.00 39.48 42.52 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1sm7 h GLN 81 N 0.00 -0.33 -0.99 -4.13 4.20 -1.86 -3.22 115.11 108.78 1sm7 h GLN 81 Ca 0.00 0.02 0.28 0.00 0.06 0.00 0.00 58.65 59.02 1sm7 h GLN 81 Cb 0.00 0.08 -0.18 0.00 0.30 0.00 0.00 27.48 27.67 1sm7 h GLN 81 CO 0.00 -0.02 0.06 0.45 -0.67 0.00 0.00 178.83 178.64 1sm7 n SER 82 N -5.01 -0.08 0.00 1.46 2.88 -1.26 0.77 113.62 112.38 1sm7 n SER 82 Ca -0.07 1.67 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1sm7 n SER 82 Cb 0.23 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1sm7 n SER 82 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1sm7 n THR 83 N -5.46 0.00 -0.05 2.46 -1.04 -1.22 0.23 114.28 109.21 1sm7 n THR 83 Ca 0.24 1.39 -0.14 0.00 -2.04 0.00 0.00 64.05 63.50 1sm7 n THR 83 Cb 0.80 -1.92 -0.07 0.00 -1.82 0.00 0.00 70.33 67.31 1sm7 n THR 83 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1sm7 h ARG 84 N 0.00 0.44 -1.47 -2.82 2.47 -1.26 -1.19 114.38 110.55 1sm7 h ARG 84 Ca 0.00 -0.28 0.46 0.00 -1.26 0.00 0.00 59.98 58.90 1sm7 h ARG 84 Cb 0.00 0.04 -0.11 0.00 -1.65 0.00 0.00 29.97 28.24 1sm7 h ARG 84 CO 0.00 0.89 0.99 0.82 0.56 0.00 0.00 179.97 183.22 1sm7 h ILE 85 N 0.04 0.11 0.13 2.04 1.08 0.67 0.49 117.51 122.07 1sm7 h ILE 85 Ca 0.00 -0.02 -0.36 0.00 -0.39 0.00 0.00 64.86 64.09 1sm7 h ILE 85 Cb 0.88 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 1sm7 h ILE 85 CO 0.06 0.01 -1.96 1.88 -0.69 0.00 0.00 178.15 177.46 1sm7 h TYR 86 N 0.06 0.51 0.00 1.37 -1.99 0.01 -2.44 116.97 114.49 1sm7 h TYR 86 Ca 0.83 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 61.19 1sm7 h TYR 86 Cb 2.85 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 41.56 1sm7 h TYR 86 CO -0.00 1.77 0.00 0.94 -0.00 0.00 0.00 178.16 180.87 1sm7 n GLN 87 N -3.51 0.01 0.00 4.88 7.27 0.13 -0.64 117.38 125.52 1sm7 n GLN 87 Ca -0.31 0.41 0.01 0.00 0.07 0.00 0.00 57.00 57.18 1sm7 n GLN 87 Cb 1.05 -1.52 -0.02 0.00 2.41 0.00 0.00 30.24 32.17 1sm7 n GLN 87 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1sm7 n ILE 88 N -1.53 0.00 0.46 1.69 5.41 0.10 -4.48 119.36 121.02 1sm7 n ILE 88 Ca 0.01 -0.43 0.10 0.00 1.00 0.00 0.00 62.75 63.43 1sm7 n ILE 88 Cb 0.07 1.00 0.15 0.00 -0.71 0.00 0.00 39.64 40.15 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 -1.05 2.42 0.19 -1.39 0.00 -0.03 -4.13 120.51 116.52 1sm7 n ALA 89 Ca 0.01 -0.87 0.11 0.00 0.00 0.00 0.00 53.44 52.69 1sm7 n ALA 89 Cb 0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 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 1.24 0.53 -0.02 0.00 0.00 0.19 -3.90 118.16 116.20 1sm7 n LYS 90 Ca 0.15 -0.09 0.13 0.00 -0.00 0.00 0.00 58.31 58.50 1sm7 n LYS 90 Cb 0.54 -1.58 0.45 0.00 -0.00 0.00 0.00 35.03 34.43 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 -2.22 1.71 -0.03 -5.58 0.23 -1.26 -4.14 115.26 103.98 1sm7 n ASN 91 Ca -0.02 -1.60 -0.13 0.00 -0.53 0.00 0.00 54.58 52.30 1sm7 n ASN 91 Cb 0.52 -0.03 -0.11 0.00 -2.08 0.00 0.00 39.78 38.08 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1sm7 h LEU 92 N 2.57 -0.01 0.00 -4.53 3.38 -1.77 -3.04 115.31 111.92 1sm7 h LEU 92 Ca 0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1sm7 h LEU 92 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sm7 h LEU 92 CO 0.00 0.63 0.00 -0.81 0.09 0.00 0.00 178.44 178.35 1sm7 n PRO 93 N -4.79 0.56 0.03 1.13 -0.04 -1.26 0.17 135.00 130.81 1sm7 n PRO 93 Ca -0.09 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.18 1sm7 n PRO 93 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.13 1sm7 n PRO 93 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1sm7 h ASN 94 N 0.00 0.47 -0.01 3.54 2.35 -1.72 -3.13 115.58 117.08 1sm7 h ASN 94 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.83 1sm7 h ASN 94 Cb 0.05 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1sm7 h ASN 94 CO 0.00 1.81 -0.38 0.52 -1.65 0.00 0.00 177.43 177.73 1sm7 n VAL 95 N -3.51 0.00 -2.13 2.81 0.31 -1.09 -4.36 118.33 110.38 1sm7 n VAL 95 Ca -0.29 -0.31 -0.13 0.00 -0.01 0.00 0.00 64.34 63.60 1sm7 n VAL 95 Cb 1.06 1.17 0.06 0.00 -0.91 0.00 0.00 33.84 35.22 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 -0.69 -0.11 0.00 0.00 3.02 -1.18 -4.63 115.26 111.66 1sm7 n ASN 97 Ca 0.31 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1sm7 n ASN 97 Cb 0.90 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 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 1.38 0.78 -3.49 3.52 0.00 -1.26 -4.93 117.12 113.11 1sm7 n MET 98 Ca 0.13 -0.72 -0.29 0.00 0.00 0.00 0.00 57.70 56.82 1sm7 n MET 98 Cb 0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 33.22 32.43 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 -0.29 0.60 -0.05 3.17 2.36 -1.26 -4.80 119.74 119.46 1sm7 s LYS 99 Ca 0.00 -1.35 -0.26 0.00 -2.55 0.00 0.00 55.97 51.81 1sm7 s LYS 99 Cb 0.00 -1.39 -0.22 0.00 -1.05 0.00 0.00 37.83 35.17 1sm7 s LYS 99 CO 0.00 -1.20 1.11 0.37 1.55 0.00 0.00 175.35 177.18 1sm7 h GLN 100 N 7.06 0.04 0.00 4.03 -0.00 -1.98 -3.40 115.11 120.86 1sm7 h GLN 100 Ca 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1sm7 h GLN 100 Cb 0.97 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.46 1sm7 h GLN 100 CO 0.29 0.70 0.00 1.51 0.00 0.00 0.00 178.83 181.33 1sm7 n ILE 101 N -4.73 0.00 0.00 2.39 0.13 -1.26 -5.02 119.36 110.87 1sm7 n ILE 101 Ca -0.09 0.52 0.00 0.00 -1.10 0.00 0.00 62.75 62.08 1sm7 n ILE 101 Cb 0.35 -1.46 0.00 0.00 -0.84 0.00 0.00 39.64 37.69 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 0.11 -0.95 0.09 4.50 0.00 -1.26 -5.06 105.19 102.62 1sm7 n GLY 102 Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 1sm7 n GLY 102 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sm7 h THR 103 N 0.00 1.09 -2.15 2.61 2.02 -1.92 -3.40 112.91 111.16 1sm7 h THR 103 Ca 0.00 -2.06 -0.58 0.00 0.77 0.00 0.00 66.41 64.55 1sm7 h THR 103 Cb 0.00 2.30 -0.41 0.00 -1.74 0.00 0.00 68.15 68.30 1sm7 h THR 103 CO 0.00 0.37 -0.78 0.00 0.37 0.00 0.00 175.52 175.48 1sm7 n PRO 105 N 0.65 1.41 -3.19 0.00 -0.04 -1.26 -4.87 135.00 127.68 1sm7 n PRO 105 Ca 0.28 -0.79 -0.27 0.00 -0.04 0.00 0.00 63.50 62.67 1sm7 n PRO 105 Cb 0.46 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.16 3.50 0.00 0.54 -0.71 -1.26 -4.85 117.98 117.36 1sm7 s PHE 106 Ca 0.40 0.61 0.00 0.00 -1.04 0.00 0.00 56.93 56.90 1sm7 s PHE 106 Cb 0.17 -2.09 0.00 0.00 -1.21 0.00 0.00 43.02 39.89 1sm7 s PHE 106 CO -0.01 0.06 0.00 0.44 -1.34 0.00 0.00 175.22 174.37 1sm7 n ILE 107 N -1.46 0.00 -0.93 -4.49 -5.35 -1.26 -4.90 119.36 100.97 1sm7 n ILE 107 Ca -0.02 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.13 1sm7 n ILE 107 Cb 0.55 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.41 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 3.85 -0.44 -1.28 0.00 -1.26 -5.01 120.51 116.37 1sm7 n ALA 108 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1sm7 n ALA 108 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.13 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94