#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 3.15 0.05 -1.09 0.04 -1.26 -4.86 135.00 131.04 1sm7 s PRO 2 Ca 0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.89 1sm7 s PRO 2 Cb 0.00 -4.21 -0.25 0.00 0.04 0.00 0.00 34.50 30.08 1sm7 s PRO 2 CO 0.00 -2.09 1.03 0.37 0.04 0.00 0.00 177.00 176.35 1sm7 h GLN 3 N 12.62 0.14 0.52 4.56 5.75 -1.96 -2.84 115.11 133.90 1sm7 h GLN 3 Ca -0.29 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1sm7 h GLN 3 Cb 1.13 0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.78 1sm7 h GLN 3 CO 1.14 1.02 -0.25 -0.22 -2.65 0.00 0.00 178.83 177.86 1sm7 h LYS 4 N 0.04 -0.67 -0.72 1.69 3.64 -1.98 -2.02 116.57 116.55 1sm7 h LYS 4 Ca -0.15 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1sm7 h LYS 4 Cb 1.93 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.85 1sm7 h LYS 4 CO 0.15 -0.45 0.48 0.00 -2.27 0.00 0.00 179.45 177.36 1sm7 h GLN 6 N 0.68 0.00 -0.02 0.00 4.20 -1.23 0.74 115.11 119.48 1sm7 h GLN 6 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1sm7 h GLN 6 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1sm7 h GLN 6 CO -0.11 0.00 -0.22 -2.13 -0.67 0.00 0.00 178.83 175.70 1sm7 n ARG 7 N -2.86 1.62 -0.02 1.46 0.00 0.13 -4.00 116.66 113.00 1sm7 n ARG 7 Ca -0.02 -1.26 0.01 0.00 -0.00 0.00 0.00 57.85 56.57 1sm7 n ARG 7 Cb 0.19 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.22 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 0.48 1.25 0.11 -0.14 1.02 0.13 -3.80 120.64 119.69 1sm7 n GLU 8 Ca 0.10 -0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.95 1sm7 n GLU 8 Cb 0.45 -1.19 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.85 -0.00 -0.32 3.04 0.03 -3.29 116.94 117.26 1sm7 h PHE 9 Ca -0.08 -0.62 0.00 0.00 3.98 0.00 0.00 57.97 61.25 1sm7 h PHE 9 Cb 0.81 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1sm7 h PHE 9 CO 0.00 1.63 -0.77 0.94 -2.02 0.00 0.00 178.31 178.09 1sm7 n GLN 10 N -3.65 0.14 0.12 1.11 7.27 -1.26 -1.23 117.38 119.88 1sm7 n GLN 10 Ca -0.21 -0.10 -0.14 0.00 0.07 0.00 0.00 57.00 56.62 1sm7 n GLN 10 Cb 1.09 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 32.18 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 0.25 -0.57 0.00 3.69 -0.00 -1.66 -3.42 115.11 113.41 1sm7 h GLN 11 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.63 1sm7 h GLN 11 Cb 0.52 0.13 -0.06 0.00 0.00 0.00 0.00 27.48 28.07 1sm7 h GLN 11 CO 0.00 -0.38 -0.13 -0.85 0.00 0.00 0.00 178.83 177.47 1sm7 n GLU 12 N -5.44 0.06 -2.70 1.69 0.28 -1.26 -4.99 120.64 108.28 1sm7 n GLU 12 Ca -0.07 -0.45 -0.08 0.00 -0.16 0.00 0.00 57.16 56.40 1sm7 n GLU 12 Cb 0.35 0.47 0.09 0.00 1.43 0.00 0.00 31.44 33.78 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 -0.07 1.17 0.00 3.44 6.02 -1.22 -5.11 117.38 121.61 1sm7 n GLN 13 Ca -0.12 -2.23 0.00 0.00 -0.01 0.00 0.00 57.00 54.64 1sm7 n GLN 13 Cb 0.47 -0.45 0.00 0.00 1.02 0.00 0.00 30.24 31.28 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 -0.38 -0.13 -4.55 1.08 8.25 -0.36 -4.69 115.22 114.44 1sm7 n HIS 14 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.22 1sm7 n HIS 14 Cb 0.83 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.83 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 2.68 0.00 2.41 1.43 -1.26 -5.03 118.68 118.91 1sm7 s LEU 15 Ca 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1sm7 s LEU 15 Cb 0.00 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.40 1sm7 s LEU 15 CO 0.00 -0.38 0.00 0.54 0.23 0.00 0.00 176.35 176.74 1sm7 n ARG 16 N -0.82 0.00 -0.34 1.70 5.12 -1.26 -4.80 116.66 116.26 1sm7 n ARG 16 Ca -0.05 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.85 1sm7 n ARG 16 Cb 0.65 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.96 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sm7 n ALA 17 N -1.48 -0.20 0.14 7.54 0.00 -1.26 0.62 120.51 125.86 1sm7 n ALA 17 Ca 0.00 0.84 -0.15 0.00 0.00 0.00 0.00 53.44 54.14 1sm7 n ALA 17 Cb 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 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 -5.47 1.09 0.00 0.00 -0.00 0.90 -3.87 117.38 110.02 1sm7 n GLN 19 Ca -0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 57.00 56.72 1sm7 n GLN 19 Cb 0.38 -1.08 0.00 0.00 -0.00 0.00 0.00 30.24 29.54 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 0.47 0.00 0.22 2.61 1.13 0.20 -4.32 117.38 117.69 1sm7 n GLN 20 Ca 0.04 0.00 0.18 0.00 -1.94 0.00 0.00 57.00 55.28 1sm7 n GLN 20 Cb 0.57 -0.03 0.79 0.00 0.11 0.00 0.00 30.24 31.68 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 0.00 0.00 1.08 5.08 0.06 0.52 115.95 122.69 1sm7 h TRP 21 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 1sm7 h TRP 21 Cb 0.02 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.18 1sm7 h TRP 21 CO 0.00 0.00 -0.22 0.82 -1.28 0.00 0.00 178.44 177.76 1sm7 h ILE 22 N 0.00 0.63 0.00 0.12 2.04 -1.79 -1.92 117.51 116.58 1sm7 h ILE 22 Ca 0.09 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1sm7 h ILE 22 Cb 0.83 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1sm7 h ILE 22 CO -0.00 0.21 -1.11 -2.11 0.00 0.00 0.00 178.15 175.14 1sm7 n ARG 23 N -3.52 0.57 0.00 2.37 1.85 0.18 -3.96 116.66 114.15 1sm7 n ARG 23 Ca -0.01 0.07 0.13 0.00 -1.00 0.00 0.00 57.85 57.05 1sm7 n ARG 23 Cb 0.38 -1.76 0.79 0.00 -1.05 0.00 0.00 32.46 30.81 1sm7 n ARG 23 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1sm7 n GLN 24 N -2.53 0.94 0.01 2.89 6.02 -0.73 -2.88 117.38 121.10 1sm7 n GLN 24 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1sm7 n GLN 24 Cb 0.54 -1.44 0.32 0.00 1.02 0.00 0.00 30.24 30.67 1sm7 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sm7 n GLN 25 N -0.94 0.04 -4.37 -1.09 -0.00 -1.17 -4.91 117.38 104.94 1sm7 n GLN 25 Ca 0.20 0.01 -0.30 0.00 -0.00 0.00 0.00 57.00 56.92 1sm7 n GLN 25 Cb 0.09 -1.53 -0.05 0.00 -0.00 0.00 0.00 30.24 28.75 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 -3.19 2.54 0.00 2.61 1.02 -1.14 -5.01 118.68 115.52 1sm7 s LEU 26 Ca 0.11 -1.44 0.11 0.00 0.02 0.00 0.00 54.13 52.93 1sm7 s LEU 26 Cb 0.17 -0.98 0.50 0.00 0.02 0.00 0.00 46.19 45.90 1sm7 s LEU 26 CO 0.67 -0.90 1.34 0.00 0.02 0.00 0.00 176.35 177.48 1sm7 n ALA 27 N -1.44 2.52 -3.01 4.21 0.00 -1.26 -4.51 120.51 117.02 1sm7 n ALA 27 Ca -0.10 -0.24 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 1sm7 n ALA 27 Cb 0.66 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.79 4.08 3.16 0.00 0.00 -1.26 -4.96 105.19 107.00 1sm7 n GLY 28 Ca 0.09 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 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 1.45 -0.08 1.07 1.61 0.15 -1.26 -4.76 113.70 111.88 1sm7 s SER 29 Ca 0.37 -0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.90 1sm7 s SER 29 Cb -0.03 0.27 0.12 0.00 -1.71 0.00 0.00 66.02 64.68 1sm7 s SER 29 CO -0.01 -0.37 0.53 -0.81 1.20 0.00 0.00 173.24 173.78 1sm7 n PRO 30 N 1.53 -1.42 -3.15 5.44 -0.04 -1.26 -5.10 135.00 131.00 1sm7 n PRO 30 Ca -0.21 -0.84 0.04 0.00 -0.04 0.00 0.00 63.50 62.45 1sm7 n PRO 30 Cb 0.56 -0.68 -0.00 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.05 -1.75 0.00 0.54 0.08 -1.26 -5.16 117.98 108.38 1sm7 s PHE 31 Ca 0.32 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.39 1sm7 s PHE 31 Cb -0.02 0.30 0.00 0.00 -0.57 0.00 0.00 43.02 42.73 1sm7 s PHE 31 CO 0.24 -1.02 0.00 0.45 -0.10 0.00 0.00 175.22 174.79 1sm7 n SER 32 N 5.38 0.63 -3.58 1.36 2.88 -1.26 -5.09 113.62 113.94 1sm7 n SER 32 Ca 0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.31 1sm7 n SER 32 Cb 0.54 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 1sm7 n SER 32 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sm7 n GLU 33 N 0.00 2.53 0.00 -1.46 2.13 -1.26 -4.94 120.64 117.64 1sm7 n GLU 33 Ca 0.00 -4.63 0.00 0.00 0.66 0.00 0.00 57.16 53.19 1sm7 n GLU 33 Cb 0.00 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.42 1sm7 n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1sm7 n ASN 34 N 1.15 0.00 -4.56 4.31 5.15 -1.26 -5.15 115.26 114.90 1sm7 n ASN 34 Ca 0.27 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.84 1sm7 n ASN 34 Cb 0.39 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.65 1sm7 n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sm7 n GLN 35 N 0.00 1.09 -0.45 1.20 0.00 -1.26 -4.92 117.38 113.05 1sm7 n GLN 35 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 57.00 57.46 1sm7 n GLN 35 Cb 0.00 -1.88 0.14 0.00 0.00 0.00 0.00 30.24 28.51 1sm7 n GLN 35 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1sm7 n TRP 36 N -0.61 0.00 0.00 2.61 2.14 -1.26 -4.97 117.44 115.35 1sm7 n TRP 36 Ca 0.10 -1.06 0.00 0.00 2.07 0.00 0.00 57.50 58.61 1sm7 n TRP 36 Cb 0.39 -0.18 0.00 0.00 -0.81 0.00 0.00 31.31 30.71 1sm7 n TRP 36 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1sm7 n GLY 37 N -1.01 2.49 3.56 -1.67 0.00 -1.26 -4.69 105.19 102.61 1sm7 n GLY 37 Ca 0.15 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 2.84 -0.16 1.61 0.04 -1.18 -4.51 135.00 133.64 1sm7 s PRO 38 Ca 0.00 -0.42 -0.23 0.00 0.04 0.00 0.00 61.00 60.39 1sm7 s PRO 38 Cb 0.00 -5.05 -0.23 0.00 0.04 0.00 0.00 34.50 29.26 1sm7 s PRO 38 CO 0.00 -2.99 0.50 1.96 0.04 0.00 0.00 177.00 176.52 1sm7 h GLN 39 N 11.19 0.05 0.00 4.56 4.20 -1.97 -3.40 115.11 129.73 1sm7 h GLN 39 Ca 0.08 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sm7 h GLN 39 Cb 1.02 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1sm7 h GLN 39 CO 1.27 1.04 -0.61 1.04 -0.67 0.00 0.00 178.83 180.90 1sm7 n GLN 40 N -4.40 3.41 0.00 1.46 1.13 -1.26 -5.04 117.38 112.67 1sm7 n GLN 40 Ca -0.22 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.82 1sm7 n GLN 40 Cb 0.65 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 30.05 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sm7 n GLY 41 N 1.40 3.02 0.19 1.08 0.00 -1.26 -4.85 105.19 104.76 1sm7 n GLY 41 Ca 0.01 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.00 -4.61 1.61 0.13 -1.96 -3.39 132.00 123.77 1sm7 h PRO 42 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 1sm7 h PRO 42 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1sm7 h PRO 42 CO 0.00 0.00 2.20 0.43 -0.23 0.00 0.00 178.00 180.40 1sm7 n SER 43 N -2.68 2.79 0.00 1.44 7.64 -1.26 -2.67 113.62 118.88 1sm7 n SER 43 Ca 0.03 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1sm7 n SER 43 Cb 0.35 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 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 8.37 0.00 0.20 -3.43 0.00 -1.26 -3.13 117.00 117.74 1sm7 n LEU 44 Ca 0.49 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.55 1sm7 n LEU 44 Cb 0.41 0.00 0.43 0.00 0.00 0.00 0.00 43.42 44.26 1sm7 n LEU 44 CO 0.97 0.00 0.78 0.03 0.00 0.00 0.00 177.39 179.17 1sm7 h ARG 45 N 0.00 0.00 0.02 1.96 -0.00 -1.82 0.35 114.38 114.89 1sm7 h ARG 45 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 59.19 1sm7 h ARG 45 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 1sm7 h ARG 45 CO 0.00 0.31 -1.61 0.93 0.00 0.00 0.00 179.97 179.60 1sm7 h GLU 46 N 0.00 0.04 -0.17 0.04 5.08 -1.91 -3.14 114.58 114.51 1sm7 h GLU 46 Ca -0.00 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1sm7 h GLU 46 Cb 0.59 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1sm7 h GLU 46 CO 0.04 0.67 -0.41 1.96 -1.00 0.00 0.00 179.01 180.27 1sm7 h GLN 47 N 0.01 0.59 -0.69 2.33 4.20 -1.82 -2.60 115.11 117.12 1sm7 h GLN 47 Ca -0.25 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.02 1sm7 h GLN 47 Cb 1.98 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.79 1sm7 h GLN 47 CO 0.09 1.01 0.27 0.00 -0.67 0.00 0.00 178.83 179.54 1sm7 n ASN 50 N -1.75 0.91 -0.01 0.00 5.03 0.30 -4.10 115.26 115.64 1sm7 n ASN 50 Ca 0.01 -0.56 0.08 0.00 0.87 0.00 0.00 54.58 54.98 1sm7 n ASN 50 Cb 0.10 1.08 -0.12 0.00 -1.02 0.00 0.00 39.78 39.82 1sm7 n ASN 50 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1sm7 n GLU 51 N -1.32 0.69 -0.03 3.52 0.28 0.25 -3.36 120.64 120.68 1sm7 n GLU 51 Ca 0.01 -0.13 0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1sm7 n GLU 51 Cb 0.15 -1.36 -0.16 0.00 1.43 0.00 0.00 31.44 31.50 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 -1.96 0.05 -0.07 -1.84 -0.00 0.25 -4.36 117.00 109.08 1sm7 n LEU 52 Ca -0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1sm7 n LEU 52 Cb 0.40 0.12 -0.15 0.00 -0.00 0.00 0.00 43.42 43.78 1sm7 n LEU 52 CO 0.34 0.11 -0.91 0.00 -0.00 0.00 0.00 177.39 176.93 1sm7 n TYR 53 N -2.40 0.34 -0.02 1.47 9.36 -1.26 -4.00 117.16 120.66 1sm7 n TYR 53 Ca -0.11 0.12 0.22 0.00 3.32 0.00 0.00 57.90 61.46 1sm7 n TYR 53 Cb 0.71 -1.04 0.72 0.00 -0.63 0.00 0.00 39.34 39.10 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 -0.20 2.98 3.07 -1.75 0.42 115.11 119.63 1sm7 h GLN 54 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.31 1sm7 h GLN 54 Cb 2.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.65 1sm7 h GLN 54 CO 0.04 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.35 1sm7 n GLU 55 N -4.16 1.21 0.00 0.06 -0.58 -1.26 -5.01 120.64 110.90 1sm7 n GLU 55 Ca 0.11 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1sm7 n GLU 55 Cb 0.70 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 1sm7 n GLU 55 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1sm7 n ASP 56 N -0.23 -0.70 0.07 1.62 -0.08 0.15 -3.48 116.55 113.90 1sm7 n ASP 56 Ca 0.03 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.34 1sm7 n ASP 56 Cb 0.10 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.52 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 -1.90 -3.25 115.11 116.80 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 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1sm7 h GLN 57 CO 0.00 0.26 0.00 0.28 -1.50 0.00 0.00 178.83 177.87 1sm7 n VAL 58 N -2.92 0.21 -0.07 -0.54 0.31 -1.26 -1.50 118.33 112.56 1sm7 n VAL 58 Ca -0.05 0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1sm7 n VAL 58 Cb 0.76 -0.70 0.01 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.08 1.02 0.00 0.00 2.07 -1.30 -3.32 116.25 114.81 1sm7 h VAL 60 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1sm7 h VAL 60 Cb 0.54 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1sm7 h VAL 60 CO 0.00 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.17 1sm7 n PRO 62 N -0.34 0.62 -0.35 0.00 -0.04 -1.26 -4.84 135.00 128.79 1sm7 n PRO 62 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 1sm7 n PRO 62 Cb 0.00 -1.36 0.17 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.02 -1.00 0.52 2.02 -1.82 0.54 112.91 113.18 1sm7 h THR 63 Ca 0.00 -0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.42 1sm7 h THR 63 Cb 0.00 0.02 -0.12 0.00 -1.74 0.00 0.00 68.15 66.31 1sm7 h THR 63 CO 0.00 0.00 0.60 0.25 0.37 0.00 0.00 175.52 176.74 1sm7 h LEU 64 N 0.00 0.68 -0.99 2.58 6.46 -1.68 0.47 115.31 122.82 1sm7 h LEU 64 Ca 0.50 0.14 0.36 0.00 -0.12 0.00 0.00 57.88 58.76 1sm7 h LEU 64 Cb 0.85 0.03 -0.18 0.00 -0.73 0.00 0.00 40.66 40.63 1sm7 h LEU 64 CO -0.98 0.10 0.39 0.50 -0.62 0.00 0.00 178.44 177.83 1sm7 h LYS 65 N 0.58 0.03 0.72 1.25 3.11 -0.23 0.19 116.57 122.23 1sm7 h LYS 65 Ca 0.65 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.45 1sm7 h LYS 65 Cb 1.23 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1sm7 h LYS 65 CO -0.48 0.02 -0.47 0.37 -2.81 0.00 0.00 179.45 176.09 1sm7 h GLN 66 N 0.04 -1.08 -0.17 1.90 5.75 -0.16 -1.49 115.11 119.90 1sm7 h GLN 66 Ca 0.76 0.07 0.05 0.00 -0.15 0.00 0.00 58.65 59.38 1sm7 h GLN 66 Cb 1.88 0.25 -0.01 0.00 1.07 0.00 0.00 27.48 30.67 1sm7 h GLN 66 CO -0.80 -0.72 0.26 0.00 -2.65 0.00 0.00 178.83 174.92 1sm7 h ALA 67 N -1.18 1.68 0.00 3.38 0.00 -0.88 0.39 119.26 122.64 1sm7 h ALA 67 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sm7 h ALA 67 Cb 0.91 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1sm7 h ALA 67 CO 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1sm7 h ALA 68 N 1.64 1.00 0.21 0.00 0.00 -0.08 -2.51 119.26 119.53 1sm7 h ALA 68 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sm7 h ALA 68 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sm7 h ALA 68 CO -0.00 0.00 -0.10 -0.22 0.00 0.00 0.00 179.25 178.93 1sm7 h LYS 69 N 0.00 -0.28 -0.73 0.00 1.63 0.79 -3.13 116.57 114.86 1sm7 h LYS 69 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1sm7 h LYS 69 Cb 0.69 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1sm7 h LYS 69 CO 0.00 0.11 0.00 0.45 -3.45 0.00 0.00 179.45 176.56 1sm7 n SER 70 N -5.00 2.63 0.29 4.20 2.88 -1.21 -4.24 113.62 113.19 1sm7 n SER 70 Ca -0.08 -2.30 0.16 0.00 -1.33 0.00 0.00 58.87 55.32 1sm7 n SER 70 Cb 0.26 -0.50 0.86 0.00 -0.75 0.00 0.00 64.21 64.08 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 1.62 0.00 0.00 2.46 3.04 -1.38 -3.35 116.25 118.63 1sm7 h VAL 71 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1sm7 h VAL 71 Cb 0.96 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1sm7 h VAL 71 CO 0.16 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.26 1sm7 n ARG 72 N -2.76 0.00 -3.62 4.17 1.74 -1.26 -4.52 116.66 110.40 1sm7 n ARG 72 Ca -0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 1sm7 n ARG 72 Cb 0.23 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.62 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sm7 s VAL 73 N -0.84 0.06 0.51 1.55 1.01 -1.26 -5.15 120.40 116.29 1sm7 s VAL 73 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1sm7 s VAL 73 Cb 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1sm7 s VAL 73 CO 0.00 -0.26 0.48 0.00 0.00 0.00 0.00 175.10 175.33 1sm7 s GLN 74 N -3.27 2.36 0.00 2.72 -2.07 -1.26 -4.62 119.66 113.52 1sm7 s GLN 74 Ca -0.00 -1.78 0.00 0.00 -1.82 0.00 0.00 55.36 51.76 1sm7 s GLN 74 Cb 0.01 -2.31 0.00 0.00 -1.09 0.00 0.00 33.01 29.61 1sm7 s GLN 74 CO -0.08 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 173.76 1sm7 n GLY 75 N -1.81 1.47 2.99 2.60 0.00 -1.26 -4.78 105.19 104.41 1sm7 n GLY 75 Ca 0.04 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.35 1sm7 n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sm7 s GLN 76 N 0.00 0.55 0.00 1.61 0.74 -1.26 -4.99 119.66 116.31 1sm7 s GLN 76 Ca 0.00 -0.22 0.16 0.00 0.05 0.00 0.00 55.36 55.36 1sm7 s GLN 76 Cb 0.00 0.06 0.47 0.00 1.10 0.00 0.00 33.01 34.64 1sm7 s GLN 76 CO 0.00 -0.78 1.39 1.58 -0.55 0.00 0.00 175.29 176.93 1sm7 n HIS 77 N 3.98 0.68 -1.27 1.67 -0.00 -1.26 -5.06 115.22 113.96 1sm7 n HIS 77 Ca 0.09 -0.34 0.16 0.00 0.46 0.00 0.00 57.72 58.09 1sm7 n HIS 77 Cb 0.60 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.42 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 1.33 -1.98 3.61 1.57 0.00 -1.26 -4.58 105.19 103.89 1sm7 n GLY 78 Ca 0.17 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.86 3.69 0.00 1.61 0.04 -1.26 -4.40 135.00 131.82 1sm7 s PRO 79 Ca 0.00 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1sm7 s PRO 79 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1sm7 s PRO 79 CO 0.00 -1.42 0.00 0.34 0.04 0.00 0.00 177.00 175.96 1sm7 n PHE 80 N 8.48 -0.14 -0.24 0.56 7.35 -1.26 -4.99 117.46 127.22 1sm7 n PHE 80 Ca 0.16 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.87 1sm7 n PHE 80 Cb 0.47 0.03 0.09 0.00 0.35 0.00 0.00 39.48 40.42 1sm7 n PHE 80 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1sm7 h GLN 81 N 0.00 0.01 -0.91 -4.13 3.07 -1.84 0.14 115.11 111.45 1sm7 h GLN 81 Ca 0.00 -0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.91 1sm7 h GLN 81 Cb 0.00 -0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.39 1sm7 h GLN 81 CO 0.00 0.01 -0.26 0.77 0.09 0.00 0.00 178.83 179.44 1sm7 h SER 82 N 0.01 -0.96 -0.91 0.06 0.02 -1.94 0.76 113.55 110.60 1sm7 h SER 82 Ca 0.35 0.28 0.17 0.00 -0.84 0.00 0.00 61.79 61.74 1sm7 h SER 82 Cb 0.54 0.60 -0.16 0.00 0.14 0.00 0.00 62.40 63.52 1sm7 h SER 82 CO -0.72 -0.30 -0.27 1.07 -1.14 0.00 0.00 176.83 175.47 1sm7 n THR 83 N -5.56 -0.42 -0.09 -2.27 5.66 0.48 0.23 114.28 112.32 1sm7 n THR 83 Ca 0.13 2.10 -0.17 0.00 -3.05 0.00 0.00 64.05 63.05 1sm7 n THR 83 Cb 0.45 -2.85 -0.10 0.00 -1.55 0.00 0.00 70.33 66.28 1sm7 n THR 83 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1sm7 h ARG 84 N 0.00 0.00 -1.56 1.09 9.65 -0.28 -2.31 114.38 120.98 1sm7 h ARG 84 Ca 0.39 0.00 0.50 0.00 -1.10 0.00 0.00 59.98 59.78 1sm7 h ARG 84 Cb 0.62 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.08 1sm7 h ARG 84 CO -0.92 0.80 1.05 0.82 2.80 0.00 0.00 179.97 184.51 1sm7 h ILE 85 N -1.00 0.02 0.04 1.20 2.04 0.86 0.25 117.51 120.92 1sm7 h ILE 85 Ca -0.23 -0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.37 1sm7 h ILE 85 Cb 1.08 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1sm7 h ILE 85 CO -0.14 0.00 -1.42 1.88 0.00 0.00 0.00 178.15 178.48 1sm7 h TYR 86 N 0.01 0.15 -0.25 1.37 -1.99 -0.35 -2.68 116.97 113.23 1sm7 h TYR 86 Ca 0.89 -0.11 0.07 0.00 2.00 0.00 0.00 58.73 61.59 1sm7 h TYR 86 Cb 3.10 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 41.81 1sm7 h TYR 86 CO -0.00 1.56 0.55 0.37 -0.00 0.00 0.00 178.16 180.63 1sm7 h GLN 87 N -0.70 0.00 0.00 4.88 -0.00 -0.00 0.83 115.11 120.12 1sm7 h GLN 87 Ca -0.36 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 57.93 1sm7 h GLN 87 Cb 1.50 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.92 1sm7 h GLN 87 CO -0.12 0.00 -2.31 -0.89 0.00 0.00 0.00 178.83 175.51 1sm7 n ILE 88 N -3.16 1.43 1.99 2.39 5.41 0.01 -4.16 119.36 123.28 1sm7 n ILE 88 Ca 0.04 -0.83 0.15 0.00 1.00 0.00 0.00 62.75 63.11 1sm7 n ILE 88 Cb 0.66 -0.60 0.87 0.00 -0.71 0.00 0.00 39.64 39.86 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 -2.76 2.67 0.03 -1.39 0.00 0.12 -3.32 120.51 115.85 1sm7 n ALA 89 Ca -0.32 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 1sm7 n ALA 89 Cb 1.14 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.97 1sm7 n ALA 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sm7 h LYS 90 N 0.04 0.13 -0.44 0.00 5.09 0.29 -3.20 116.57 118.47 1sm7 h LYS 90 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 60.65 60.52 1sm7 h LYS 90 Cb 0.01 0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.42 1sm7 h LYS 90 CO 0.00 0.89 0.00 0.09 -2.09 0.00 0.00 179.45 178.34 1sm7 n ASN 91 N -3.30 1.56 -0.02 7.07 3.02 -1.21 -4.13 115.26 118.26 1sm7 n ASN 91 Ca -0.16 -2.09 -0.06 0.00 -0.03 0.00 0.00 54.58 52.23 1sm7 n ASN 91 Cb 1.03 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.87 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sm7 h LEU 92 N 1.21 -0.07 0.00 3.41 3.38 -1.69 -3.01 115.31 118.55 1sm7 h LEU 92 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1sm7 h LEU 92 Cb 0.51 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sm7 h LEU 92 CO 0.05 0.57 0.00 -0.81 0.09 0.00 0.00 178.44 178.34 1sm7 n PRO 93 N -4.79 0.63 -0.01 1.13 -0.04 -1.26 0.79 135.00 131.45 1sm7 n PRO 93 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1sm7 n PRO 93 Cb 0.20 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.01 0.43 0.00 3.54 5.03 -1.24 -3.44 115.26 118.56 1sm7 n ASN 94 Ca 0.15 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.79 1sm7 n ASN 94 Cb 0.08 0.83 0.00 0.00 -1.02 0.00 0.00 39.78 39.66 1sm7 n ASN 94 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1sm7 n VAL 95 N -2.69 0.00 -2.49 2.41 0.31 -0.94 -4.64 118.33 110.29 1sm7 n VAL 95 Ca -0.14 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1sm7 n VAL 95 Cb 0.85 1.00 0.04 0.00 -0.91 0.00 0.00 33.84 34.82 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 -0.63 0.29 -0.51 0.00 3.02 -1.22 -4.58 115.26 111.62 1sm7 n ASN 97 Ca 0.22 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1sm7 n ASN 97 Cb 0.87 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 2.97 3.37 -0.08 3.52 0.00 -1.26 -4.93 117.12 120.71 1sm7 n MET 98 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 1sm7 n MET 98 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.20 1sm7 n MET 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1sm7 n LYS 99 N 0.00 0.00 -0.19 3.17 4.81 -1.26 -4.67 118.16 120.02 1sm7 n LYS 99 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1sm7 n LYS 99 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 1sm7 n LYS 99 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1sm7 h GLN 100 N 0.01 0.18 0.00 1.64 -0.00 -1.95 -1.50 115.11 113.49 1sm7 h GLN 100 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1sm7 h GLN 100 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.44 1sm7 h GLN 100 CO 0.00 0.12 0.00 1.51 0.00 0.00 0.00 178.83 180.46 1sm7 n ILE 101 N -5.19 0.00 -3.80 2.39 3.06 -1.26 -4.05 119.36 110.51 1sm7 n ILE 101 Ca 0.08 1.04 -0.30 0.00 -2.50 0.00 0.00 62.75 61.07 1sm7 n ILE 101 Cb 0.32 -1.50 -0.13 0.00 0.54 0.00 0.00 39.64 38.86 1sm7 n ILE 101 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1sm7 s GLY 102 N -0.24 1.93 -0.50 4.50 0.00 -0.94 -5.08 107.32 106.99 1sm7 s GLY 102 Ca 0.00 -2.80 -0.27 0.00 0.00 0.00 0.00 44.72 41.65 1sm7 s GLY 102 CO 0.00 1.35 1.05 -1.59 0.00 0.00 0.00 173.10 173.91 1sm7 s THR 103 N 0.18 4.28 0.00 0.90 2.01 -0.61 -4.66 115.64 117.74 1sm7 s THR 103 Ca 0.17 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1sm7 s THR 103 Cb -0.25 -4.57 0.00 0.00 0.01 0.00 0.00 72.50 67.69 1sm7 s THR 103 CO -0.00 -1.04 0.00 0.00 -0.69 0.00 0.00 174.62 172.89 1sm7 n PRO 105 N 0.00 2.85 0.00 0.00 -0.04 -1.26 -4.02 135.00 132.53 1sm7 n PRO 105 Ca 0.00 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1sm7 n PRO 105 Cb 0.00 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.15 1sm7 n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1sm7 n PHE 106 N 6.44 0.00 -0.25 0.54 -1.74 -1.26 -4.86 117.46 116.32 1sm7 n PHE 106 Ca 0.52 -0.04 0.06 0.00 -0.56 0.00 0.00 57.45 57.43 1sm7 n PHE 106 Cb 0.40 -0.00 0.18 0.00 1.52 0.00 0.00 39.48 41.58 1sm7 n PHE 106 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1sm7 h ILE 107 N 1.57 0.52 0.00 1.97 3.07 -1.87 -2.73 117.51 120.04 1sm7 h ILE 107 Ca 0.00 -0.10 -0.31 0.00 1.55 0.00 0.00 64.86 66.01 1sm7 h ILE 107 Cb 0.64 0.21 0.01 0.00 -0.27 0.00 0.00 36.82 37.41 1sm7 h ILE 107 CO 0.00 0.05 2.23 0.00 -1.05 0.00 0.00 178.15 179.38 1sm7 n ALA 108 N -2.65 4.14 0.12 0.16 0.00 -1.26 -5.00 120.51 116.01 1sm7 n ALA 108 Ca 0.14 -1.65 0.01 0.00 0.00 0.00 0.00 53.44 51.95 1sm7 n ALA 108 Cb 0.46 -2.88 0.06 0.00 0.00 0.00 0.00 19.45 17.09 1sm7 n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61