#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 -1.97 0.00 -1.09 -0.04 -1.26 -5.04 135.00 125.60 1sm7 n PRO 2 Ca 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1sm7 n PRO 2 Cb 0.00 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.39 0.11 0.31 0.54 7.27 -1.26 -4.75 117.38 116.21 1sm7 n GLN 3 Ca 0.10 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.02 1sm7 n GLN 3 Cb 0.37 -0.57 -0.07 0.00 2.41 0.00 0.00 30.24 32.38 1sm7 n GLN 3 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1sm7 h LYS 4 N 0.00 -0.79 -1.03 3.69 3.64 -1.96 -1.76 116.57 118.36 1sm7 h LYS 4 Ca 0.00 0.05 0.26 0.00 -1.27 0.00 0.00 60.65 59.70 1sm7 h LYS 4 Cb 0.14 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.02 1sm7 h LYS 4 CO 0.00 -0.48 0.63 0.00 -2.27 0.00 0.00 179.45 177.33 1sm7 h GLN 6 N 0.49 -0.51 0.00 0.00 4.20 -1.78 0.49 115.11 117.99 1sm7 h GLN 6 Ca 0.63 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.38 1sm7 h GLN 6 Cb 1.39 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1sm7 h GLN 6 CO -0.41 -0.34 0.00 0.54 -0.67 0.00 0.00 178.83 177.95 1sm7 n ARG 7 N -5.37 0.81 -0.02 1.46 1.74 0.58 -3.12 116.66 112.74 1sm7 n ARG 7 Ca -0.09 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 1sm7 n ARG 7 Cb 0.28 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sm7 n GLU 8 N -0.63 2.31 0.11 5.56 1.02 0.11 -3.76 120.64 125.36 1sm7 n GLU 8 Ca 0.05 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 1sm7 n GLU 8 Cb 0.02 -1.13 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.83 -0.00 -0.32 3.04 -0.09 -3.25 116.94 117.15 1sm7 h PHE 9 Ca -0.10 -0.61 0.00 0.00 3.98 0.00 0.00 57.97 61.25 1sm7 h PHE 9 Cb 1.00 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.48 1sm7 h PHE 9 CO 0.00 1.48 -0.69 0.94 -2.02 0.00 0.00 178.31 178.02 1sm7 n GLN 10 N -3.86 0.11 0.05 1.11 7.27 -1.18 -1.11 117.38 119.77 1sm7 n GLN 10 Ca -0.16 -0.08 -0.04 0.00 0.07 0.00 0.00 57.00 56.79 1sm7 n GLN 10 Cb 1.01 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 32.14 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 0.20 -0.19 -0.00 3.69 -0.00 -1.65 -3.42 115.11 113.74 1sm7 h GLN 11 Ca 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.52 1sm7 h GLN 11 Cb 0.51 0.04 -0.14 0.00 0.00 0.00 0.00 27.48 27.90 1sm7 h GLN 11 CO 0.00 -0.13 -0.30 0.39 0.00 0.00 0.00 178.83 178.79 1sm7 n GLU 12 N -3.05 0.34 -2.73 1.69 1.02 -1.26 -4.96 120.64 111.69 1sm7 n GLU 12 Ca -0.02 -1.08 -0.08 0.00 -0.02 0.00 0.00 57.16 55.95 1sm7 n GLU 12 Cb 0.10 0.46 0.10 0.00 -0.02 0.00 0.00 31.44 32.08 1sm7 n GLU 12 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1sm7 n GLN 13 N -0.37 1.13 0.00 3.49 7.27 -1.21 -5.10 117.38 122.60 1sm7 n GLN 13 Ca -0.25 -2.05 0.00 0.00 0.07 0.00 0.00 57.00 54.77 1sm7 n GLN 13 Cb 0.75 -0.50 0.00 0.00 2.41 0.00 0.00 30.24 32.90 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 -0.24 -0.84 -4.05 3.69 8.25 -0.26 -4.63 115.22 117.14 1sm7 n HIS 14 Ca 0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 1sm7 n HIS 14 Cb 0.80 0.00 -0.06 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 3.21 0.00 2.41 2.01 -1.26 -5.03 118.68 120.01 1sm7 s LEU 15 Ca 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 54.13 53.23 1sm7 s LEU 15 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 46.19 44.56 1sm7 s LEU 15 CO 0.00 -0.45 0.00 0.54 1.01 0.00 0.00 176.35 177.45 1sm7 n ARG 16 N -1.24 0.00 -0.65 1.70 5.12 -1.26 -4.46 116.66 115.87 1sm7 n ARG 16 Ca -0.01 0.00 0.49 0.00 -1.93 0.00 0.00 57.85 56.40 1sm7 n ARG 16 Cb 0.63 0.00 0.76 0.00 -1.16 0.00 0.00 32.46 32.68 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 -2.56 1.75 0.07 7.54 0.00 -1.26 -0.08 120.51 125.97 1sm7 n ALA 17 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1sm7 n ALA 17 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -4.94 1.16 0.00 0.00 1.13 0.88 -3.77 117.38 111.84 1sm7 n GLN 19 Ca -0.06 -0.35 0.00 0.00 -1.94 0.00 0.00 57.00 54.65 1sm7 n GLN 19 Cb 0.22 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.44 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 0.77 0.00 0.07 -1.09 1.13 0.28 -4.62 117.38 113.92 1sm7 n GLN 20 Ca 0.07 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.16 1sm7 n GLN 20 Cb 0.57 -0.38 0.43 0.00 0.11 0.00 0.00 30.24 30.98 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 0.38 0.00 1.08 5.08 -1.37 0.59 115.95 121.70 1sm7 h TRP 21 Ca 0.00 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.91 1sm7 h TRP 21 Cb 0.00 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.03 1sm7 h TRP 21 CO 0.00 0.32 -0.40 0.82 -1.28 0.00 0.00 178.44 177.90 1sm7 h ILE 22 N 0.39 0.30 0.00 0.12 2.04 -1.82 -2.97 117.51 115.56 1sm7 h ILE 22 Ca 0.10 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1sm7 h ILE 22 Cb 0.11 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1sm7 h ILE 22 CO -0.01 0.17 0.00 0.54 0.00 0.00 0.00 178.15 178.86 1sm7 n ARG 23 N -3.06 0.24 -0.00 2.37 3.00 0.03 -3.26 116.66 115.97 1sm7 n ARG 23 Ca 0.02 0.24 0.12 0.00 -0.01 0.00 0.00 57.85 58.21 1sm7 n ARG 23 Cb 0.62 -1.81 0.66 0.00 0.00 0.00 0.00 32.46 31.93 1sm7 n ARG 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1sm7 n GLN 24 N -2.24 1.06 -0.15 5.56 1.13 -0.20 -3.33 117.38 119.21 1sm7 n GLN 24 Ca 0.05 -0.09 0.10 0.00 -1.94 0.00 0.00 57.00 55.12 1sm7 n GLN 24 Cb 0.40 -1.37 0.29 0.00 0.11 0.00 0.00 30.24 29.67 1sm7 n GLN 24 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sm7 n GLN 25 N -0.76 2.03 -5.19 -1.09 -0.00 -1.20 -4.88 117.38 106.28 1sm7 n GLN 25 Ca 0.17 -1.56 -0.30 0.00 -0.00 0.00 0.00 57.00 55.31 1sm7 n GLN 25 Cb 0.10 -1.42 -0.16 0.00 -0.00 0.00 0.00 30.24 28.76 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 -1.40 2.04 0.59 2.61 1.43 -1.21 -5.00 118.68 117.74 1sm7 s LEU 26 Ca 0.34 -0.46 0.29 0.00 -1.03 0.00 0.00 54.13 53.26 1sm7 s LEU 26 Cb 0.19 -1.27 1.38 0.00 0.03 0.00 0.00 46.19 46.51 1sm7 s LEU 26 CO 0.26 0.26 1.77 0.00 0.23 0.00 0.00 176.35 178.87 1sm7 h ALA 27 N 5.86 2.36 0.00 4.21 0.00 -1.89 -3.18 119.26 126.62 1sm7 h ALA 27 Ca -0.36 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1sm7 h ALA 27 Cb 1.15 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.02 1sm7 h ALA 27 CO 0.47 -0.96 1.53 0.41 0.00 0.00 0.00 179.25 180.71 1sm7 n GLY 28 N -1.55 1.90 3.28 0.00 0.00 -1.26 -4.79 105.19 102.77 1sm7 n GLY 28 Ca 0.12 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1sm7 n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sm7 s SER 29 N 4.92 -0.24 0.93 1.61 1.04 -1.20 -4.93 113.70 115.83 1sm7 s SER 29 Ca 0.24 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 1sm7 s SER 29 Cb 0.06 0.35 0.16 0.00 0.10 0.00 0.00 66.02 66.69 1sm7 s SER 29 CO 0.05 -0.51 1.23 -2.16 0.98 0.00 0.00 173.24 172.83 1sm7 s PRO 30 N -1.62 0.95 0.19 4.02 0.04 -1.26 -5.11 135.00 132.21 1sm7 s PRO 30 Ca -0.11 -0.11 -0.14 0.00 0.04 0.00 0.00 61.00 60.68 1sm7 s PRO 30 Cb -0.04 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1sm7 s PRO 30 CO 0.03 -2.25 0.43 -0.06 0.04 0.00 0.00 177.00 175.18 1sm7 s PHE 31 N -3.62 0.15 0.00 0.56 0.08 -1.26 -4.53 117.98 109.36 1sm7 s PHE 31 Ca 0.68 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1sm7 s PHE 31 Cb -0.08 0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.56 1sm7 s PHE 31 CO 0.52 -0.86 0.00 0.45 -0.10 0.00 0.00 175.22 175.23 1sm7 n SER 32 N -0.30 0.00 -3.62 1.36 2.88 -1.26 -4.91 113.62 107.77 1sm7 n SER 32 Ca -0.08 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 1sm7 n SER 32 Cb 0.62 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.04 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sm7 n GLU 33 N -0.34 1.82 0.00 -1.46 1.02 -1.26 -3.01 120.64 117.42 1sm7 n GLU 33 Ca 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.16 1sm7 n GLU 33 Cb 0.00 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 28.45 1sm7 n GLU 33 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1sm7 n ASN 34 N 6.99 0.00 -2.16 1.62 5.15 -1.26 -5.16 115.26 120.44 1sm7 n ASN 34 Ca 0.50 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.39 1sm7 n ASN 34 Cb 0.39 0.13 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 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 -1.65 0.34 -0.28 1.20 0.00 -1.16 -5.03 117.38 110.80 1sm7 n GLN 35 Ca 0.00 -1.67 0.02 0.00 0.00 0.00 0.00 57.00 55.35 1sm7 n GLN 35 Cb 0.00 1.52 0.13 0.00 0.00 0.00 0.00 30.24 31.89 1sm7 n GLN 35 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.06 178.93 1sm7 n TRP 36 N -0.33 0.64 0.00 2.61 -0.00 -1.26 -4.31 117.44 114.79 1sm7 n TRP 36 Ca 0.02 -0.23 0.00 0.00 -0.00 0.00 0.00 57.50 57.29 1sm7 n TRP 36 Cb 0.33 -0.22 0.00 0.00 -0.00 0.00 0.00 31.31 31.43 1sm7 n TRP 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sm7 n GLY 37 N 0.25 2.14 3.57 5.87 0.00 -1.26 -4.86 105.19 110.90 1sm7 n GLY 37 Ca 0.09 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 2.68 0.53 1.61 0.04 -1.26 -4.77 135.00 133.82 1sm7 s PRO 38 Ca 0.00 -1.02 0.27 0.00 0.04 0.00 0.00 61.00 60.29 1sm7 s PRO 38 Cb 0.00 -5.23 1.41 0.00 0.04 0.00 0.00 34.50 30.72 1sm7 s PRO 38 CO 0.00 -3.63 1.95 -0.56 0.04 0.00 0.00 177.00 174.80 1sm7 h GLN 39 N 9.92 0.03 -0.06 4.56 -0.00 -1.95 0.43 115.11 128.04 1sm7 h GLN 39 Ca 0.21 -0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 39 Cb 0.95 -0.01 0.01 0.00 -0.00 0.00 0.00 27.48 28.44 1sm7 h GLN 39 CO 1.25 0.02 -0.78 0.37 -0.00 0.00 0.00 178.83 179.69 1sm7 h GLN 40 N 0.03 0.64 -2.18 0.06 5.75 -2.03 -3.37 115.11 114.00 1sm7 h GLN 40 Ca 0.33 -0.60 -0.58 0.00 -0.15 0.00 0.00 58.65 57.65 1sm7 h GLN 40 Cb 1.28 0.15 -0.41 0.00 1.07 0.00 0.00 27.48 29.56 1sm7 h GLN 40 CO -0.01 1.21 -0.72 0.41 -2.65 0.00 0.00 178.83 177.07 1sm7 n GLY 41 N 0.90 4.76 0.09 2.39 0.00 0.02 -4.91 105.19 108.44 1sm7 n GLY 41 Ca -0.09 -2.55 -0.12 0.00 0.00 0.00 0.00 46.02 43.26 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 3.65 0.18 -2.27 1.61 0.13 -0.42 -3.28 132.00 131.60 1sm7 h PRO 42 Ca 0.15 -0.30 -0.81 0.00 -0.87 0.00 0.00 66.00 64.18 1sm7 h PRO 42 Cb 0.66 0.11 -0.26 0.00 0.13 0.00 0.00 31.00 31.64 1sm7 h PRO 42 CO 0.76 1.12 1.13 0.43 -0.23 0.00 0.00 178.00 181.21 1sm7 n SER 43 N -3.49 7.41 -0.14 1.44 7.64 -1.26 -4.75 113.62 120.47 1sm7 n SER 43 Ca -0.05 -3.66 -0.04 0.00 1.01 0.00 0.00 58.87 56.14 1sm7 n SER 43 Cb 0.97 -1.18 0.05 0.00 -1.01 0.00 0.00 64.21 63.04 1sm7 n SER 43 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sm7 h LEU 44 N 4.29 0.02 -1.88 -3.43 4.07 -1.88 0.72 115.31 117.22 1sm7 h LEU 44 Ca 0.55 0.08 0.10 0.00 0.08 0.00 0.00 57.88 58.68 1sm7 h LEU 44 Cb 0.32 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1sm7 h LEU 44 CO 1.20 0.04 0.48 -0.09 -1.08 0.00 0.00 178.44 178.99 1sm7 h ARG 45 N 0.23 0.00 0.00 1.13 9.65 -1.87 0.71 114.38 124.23 1sm7 h ARG 45 Ca 0.22 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.82 1sm7 h ARG 45 Cb 0.28 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.81 1sm7 h ARG 45 CO -0.28 0.00 -1.84 -1.91 2.80 0.00 0.00 179.97 178.74 1sm7 n GLU 46 N -3.45 0.64 -0.04 0.20 0.00 0.74 -3.70 120.64 115.04 1sm7 n GLU 46 Ca 0.06 0.20 -0.20 0.00 0.00 0.00 0.00 57.16 57.22 1sm7 n GLU 46 Cb 0.62 -1.72 -0.13 0.00 0.00 0.00 0.00 31.44 30.21 1sm7 n GLU 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1sm7 h GLN 47 N 0.00 0.12 -0.68 5.31 4.20 0.19 -3.16 115.11 121.09 1sm7 h GLN 47 Ca -0.33 -0.21 0.08 0.00 0.06 0.00 0.00 58.65 58.25 1sm7 h GLN 47 Cb 1.98 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 29.78 1sm7 h GLN 47 CO 0.06 1.10 0.35 0.00 -0.67 0.00 0.00 178.83 179.67 1sm7 n ASN 50 N -2.31 0.91 0.01 0.00 5.03 0.21 -4.17 115.26 114.95 1sm7 n ASN 50 Ca -0.02 -0.08 0.11 0.00 0.87 0.00 0.00 54.58 55.46 1sm7 n ASN 50 Cb 0.04 1.74 -0.07 0.00 -1.02 0.00 0.00 39.78 40.47 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 -2.05 0.36 0.05 3.52 0.28 0.21 -3.82 120.64 119.18 1sm7 n GLU 51 Ca -0.03 -0.05 0.11 0.00 -0.16 0.00 0.00 57.16 57.03 1sm7 n GLU 51 Cb 0.45 -1.57 -0.08 0.00 1.43 0.00 0.00 31.44 31.67 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 -2.00 0.43 -1.45 -1.84 -0.00 0.14 -4.15 117.00 108.14 1sm7 n LEU 52 Ca 0.00 0.17 0.10 0.00 -0.00 0.00 0.00 56.01 56.29 1sm7 n LEU 52 Cb 0.46 -0.03 0.33 0.00 -0.00 0.00 0.00 43.42 44.19 1sm7 n LEU 52 CO 0.42 -0.09 0.79 0.00 -0.00 0.00 0.00 177.39 178.51 1sm7 n TYR 53 N -2.48 1.22 -0.06 1.47 4.19 -1.25 -4.10 117.16 116.15 1sm7 n TYR 53 Ca -0.02 -0.53 -0.15 0.00 3.31 0.00 0.00 57.90 60.51 1sm7 n TYR 53 Cb 0.56 -0.12 -0.14 0.00 0.49 0.00 0.00 39.34 40.13 1sm7 n TYR 53 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1sm7 n GLN 54 N 1.35 0.68 -0.06 2.98 10.64 -1.25 -4.17 117.38 127.56 1sm7 n GLN 54 Ca 0.25 0.18 0.01 0.00 -1.83 0.00 0.00 57.00 55.61 1sm7 n GLN 54 Cb 0.74 -1.64 0.04 0.00 -0.86 0.00 0.00 30.24 28.52 1sm7 n GLN 54 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1sm7 n GLU 55 N -3.15 1.27 0.00 2.61 1.02 -1.26 -5.00 120.64 116.13 1sm7 n GLU 55 Ca -0.32 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 1sm7 n GLU 55 Cb 1.06 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 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 -0.15 0.00 0.13 1.62 2.03 -1.26 -3.60 116.55 115.33 1sm7 n ASP 56 Ca 0.03 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.40 1sm7 n ASP 56 Cb 0.17 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.61 1sm7 n ASP 56 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1sm7 h GLN 57 N 0.00 0.00 0.00 -0.67 7.50 -1.90 -3.21 115.11 116.83 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 0.22 0.00 0.28 -1.50 0.00 0.00 178.83 177.83 1sm7 n VAL 58 N -3.01 0.79 -1.30 -0.54 0.31 -1.26 -2.14 118.33 111.17 1sm7 n VAL 58 Ca -0.00 0.16 0.05 0.00 -0.01 0.00 0.00 64.34 64.54 1sm7 n VAL 58 Cb 0.66 -1.07 0.19 0.00 -0.91 0.00 0.00 33.84 32.72 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 -1.13 0.15 -3.69 0.00 0.31 -0.91 -4.57 118.33 108.48 1sm7 n VAL 60 Ca 0.21 -0.39 -0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1sm7 n VAL 60 Cb 0.78 0.11 -0.00 0.00 -0.91 0.00 0.00 33.84 33.81 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 -0.52 0.30 -0.35 0.00 -0.04 -1.26 -4.70 135.00 128.44 1sm7 n PRO 62 Ca -0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1sm7 n PRO 62 Cb 0.62 -1.18 0.13 0.00 -0.04 0.00 0.00 33.50 33.03 1sm7 n PRO 62 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sm7 n THR 63 N -0.68 -0.41 -0.28 0.52 -2.24 -1.26 -0.54 114.28 109.40 1sm7 n THR 63 Ca 0.03 2.21 -0.02 0.00 -2.27 0.00 0.00 64.05 64.00 1sm7 n THR 63 Cb 0.01 -3.05 0.17 0.00 -2.10 0.00 0.00 70.33 65.36 1sm7 n THR 63 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sm7 h LEU 64 N 0.00 1.00 -2.10 3.22 3.38 -1.81 0.11 115.31 119.10 1sm7 h LEU 64 Ca 0.46 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.38 1sm7 h LEU 64 Cb 0.70 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sm7 h LEU 64 CO -0.99 0.77 0.03 0.50 0.09 0.00 0.00 178.44 178.84 1sm7 h LYS 65 N 1.14 0.00 -0.03 1.13 3.11 -1.10 -2.14 116.57 118.69 1sm7 h LYS 65 Ca 0.30 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.98 1sm7 h LYS 65 Cb -0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 1sm7 h LYS 65 CO -0.06 0.00 -0.67 0.37 -2.81 0.00 0.00 179.45 176.28 1sm7 h GLN 66 N 0.00 0.16 -0.89 1.90 5.75 0.97 -2.82 115.11 120.18 1sm7 h GLN 66 Ca 0.02 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1sm7 h GLN 66 Cb 0.09 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1sm7 h GLN 66 CO -0.00 0.77 0.00 0.00 -2.65 0.00 0.00 178.83 176.95 1sm7 n ALA 67 N -2.45 2.78 0.00 3.38 0.00 -0.81 -3.51 120.51 119.89 1sm7 n ALA 67 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1sm7 n ALA 67 Cb 0.66 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1sm7 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm7 n ALA 68 N 0.12 1.91 -0.12 0.00 0.00 -1.08 -4.60 120.51 116.75 1sm7 n ALA 68 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1sm7 n ALA 68 Cb 0.44 0.30 -0.06 0.00 0.00 0.00 0.00 19.45 20.13 1sm7 n ALA 68 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sm7 h LYS 69 N 0.00 -0.16 -3.13 0.00 1.63 -1.56 -2.84 116.57 110.50 1sm7 h LYS 69 Ca 0.00 0.01 -0.78 0.00 -0.85 0.00 0.00 60.65 59.03 1sm7 h LYS 69 Cb 0.86 0.04 -0.30 0.00 -0.60 0.00 0.00 32.23 32.23 1sm7 h LYS 69 CO 0.00 -0.11 0.46 0.45 -3.45 0.00 0.00 179.45 176.80 1sm7 n SER 70 N -4.22 5.63 -0.00 4.20 2.88 -1.26 -4.66 113.62 116.19 1sm7 n SER 70 Ca -0.01 -3.25 0.02 0.00 -1.33 0.00 0.00 58.87 54.30 1sm7 n SER 70 Cb 0.18 -1.23 -0.03 0.00 -0.75 0.00 0.00 64.21 62.38 1sm7 n SER 70 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1sm7 n VAL 71 N 1.87 0.00 -1.99 2.46 3.14 -1.07 -4.63 118.33 118.10 1sm7 n VAL 71 Ca 0.25 -0.37 0.01 0.00 -2.96 0.00 0.00 64.34 61.28 1sm7 n VAL 71 Cb 0.36 0.97 0.01 0.00 -1.06 0.00 0.00 33.84 34.13 1sm7 n VAL 71 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1sm7 n ARG 72 N -1.15 0.11 -4.29 1.45 5.12 -1.26 -4.62 116.66 112.01 1sm7 n ARG 72 Ca 0.01 -1.26 -0.20 0.00 -1.93 0.00 0.00 57.85 54.46 1sm7 n ARG 72 Cb 0.08 -0.52 -0.16 0.00 -1.16 0.00 0.00 32.46 30.70 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1sm7 s VAL 73 N -0.24 0.68 -0.13 1.55 0.11 -1.26 -4.88 120.40 116.23 1sm7 s VAL 73 Ca 0.07 -0.24 0.16 0.00 -2.93 0.00 0.00 61.98 59.04 1sm7 s VAL 73 Cb 0.07 -0.66 0.40 0.00 -1.53 0.00 0.00 36.38 34.67 1sm7 s VAL 73 CO -0.02 0.24 1.19 0.00 -3.33 0.00 0.00 175.10 173.19 1sm7 n GLN 74 N 3.77 1.02 -1.77 1.54 6.02 -1.26 -4.91 117.38 121.79 1sm7 n GLN 74 Ca -0.23 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.98 1sm7 n GLN 74 Cb 0.52 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.59 0.91 0.80 1.08 0.00 -1.26 -4.95 105.19 101.17 1sm7 n GLY 75 Ca 0.14 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.57 0.00 0.00 1.61 7.27 -1.26 -5.13 117.38 119.30 1sm7 n GLN 76 Ca 0.00 -0.63 0.00 0.00 0.07 0.00 0.00 57.00 56.44 1sm7 n GLN 76 Cb 0.38 0.40 0.00 0.00 2.41 0.00 0.00 30.24 33.43 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 -2.06 3.69 -0.00 -1.26 -5.09 115.22 110.49 1sm7 n HIS 77 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1sm7 n HIS 77 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 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 4.78 -1.41 3.56 1.57 0.00 -1.26 -5.10 105.19 107.34 1sm7 n GLY 78 Ca 0.00 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.10 3.07 0.00 1.61 0.04 -1.26 -4.06 135.00 133.30 1sm7 s PRO 79 Ca 0.00 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1sm7 s PRO 79 Cb 0.00 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1sm7 s PRO 79 CO 0.00 -2.22 0.00 0.34 0.04 0.00 0.00 177.00 175.16 1sm7 n PHE 80 N 10.62 -0.59 0.11 0.56 7.35 -1.26 -4.99 117.46 129.26 1sm7 n PHE 80 Ca 0.14 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.70 1sm7 n PHE 80 Cb 0.50 0.12 -0.06 0.00 0.35 0.00 0.00 39.48 40.39 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 -0.50 -0.66 -4.13 -0.00 -1.95 -2.99 115.11 104.87 1sm7 h GLN 81 Ca 0.00 0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.81 1sm7 h GLN 81 Cb 0.00 0.11 -0.13 0.00 -0.00 0.00 0.00 27.48 27.47 1sm7 h GLN 81 CO 0.00 -0.34 -0.24 0.77 -0.00 0.00 0.00 178.83 179.03 1sm7 h SER 82 N -0.52 -0.85 0.00 0.06 0.02 -1.85 0.49 113.55 110.91 1sm7 h SER 82 Ca 0.03 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1sm7 h SER 82 Cb 0.56 0.49 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1sm7 h SER 82 CO -0.19 -0.26 0.00 0.41 -1.14 0.00 0.00 176.83 175.65 1sm7 n THR 83 N -5.46 0.00 -0.05 -2.27 -1.04 -1.13 0.28 114.28 104.61 1sm7 n THR 83 Ca 0.07 1.35 -0.14 0.00 -2.04 0.00 0.00 64.05 63.30 1sm7 n THR 83 Cb 0.36 -1.81 -0.07 0.00 -1.82 0.00 0.00 70.33 66.99 1sm7 n THR 83 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1sm7 h ARG 84 N 0.00 0.41 -0.84 -2.82 2.43 -1.20 -2.50 114.38 109.85 1sm7 h ARG 84 Ca 0.00 -0.24 0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1sm7 h ARG 84 Cb 0.00 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.44 1sm7 h ARG 84 CO 0.00 0.83 -0.44 0.82 -1.51 0.00 0.00 179.97 179.67 1sm7 h ILE 85 N 0.02 0.04 -0.79 1.20 1.08 0.22 0.24 117.51 119.52 1sm7 h ILE 85 Ca 0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.54 1sm7 h ILE 85 Cb 0.79 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 1sm7 h ILE 85 CO 0.05 0.00 0.48 1.88 -0.69 0.00 0.00 178.15 179.88 1sm7 h TYR 86 N -0.08 0.90 -0.48 1.37 -1.99 -0.14 0.13 116.97 116.67 1sm7 h TYR 86 Ca 0.25 0.03 0.09 0.00 2.00 0.00 0.00 58.73 61.10 1sm7 h TYR 86 Cb 0.55 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 1sm7 h TYR 86 CO -0.84 0.46 0.33 1.96 -0.00 0.00 0.00 178.16 180.07 1sm7 h GLN 87 N 0.90 0.24 0.06 4.88 4.20 -0.12 0.71 115.11 125.98 1sm7 h GLN 87 Ca 0.34 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.92 1sm7 h GLN 87 Cb 0.15 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1sm7 h GLN 87 CO -0.16 0.16 -0.56 0.82 -0.67 0.00 0.00 178.83 178.41 1sm7 h ILE 88 N 0.24 1.53 0.00 2.54 2.04 0.25 -3.22 117.51 120.89 1sm7 h ILE 88 Ca 0.22 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1sm7 h ILE 88 Cb 0.55 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1sm7 h ILE 88 CO -0.04 0.63 0.00 0.00 0.00 0.00 0.00 178.15 178.74 1sm7 n ALA 89 N -2.74 2.35 0.02 1.87 0.00 -0.13 -2.76 120.51 119.12 1sm7 n ALA 89 Ca -0.15 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1sm7 n ALA 89 Cb 0.67 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 1sm7 n ALA 89 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1sm7 h LYS 90 N 0.00 0.07 -0.11 0.00 3.11 0.43 -3.22 116.57 116.85 1sm7 h LYS 90 Ca 0.00 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1sm7 h LYS 90 Cb 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1sm7 h LYS 90 CO 0.00 0.81 0.00 0.09 -2.81 0.00 0.00 179.45 177.54 1sm7 n ASN 91 N -3.25 0.70 0.09 4.20 3.02 -1.11 -4.09 115.26 114.83 1sm7 n ASN 91 Ca -0.13 -1.82 -0.05 0.00 -0.03 0.00 0.00 54.58 52.56 1sm7 n ASN 91 Cb 1.02 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.83 -0.28 0.00 3.41 3.38 -1.69 -2.99 115.31 117.97 1sm7 h LEU 92 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sm7 h LEU 92 Cb 0.19 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sm7 h LEU 92 CO 0.00 0.14 0.00 -0.81 0.09 0.00 0.00 178.44 177.86 1sm7 n PRO 93 N -4.77 0.53 -0.00 1.13 -0.04 -1.26 -0.93 135.00 129.67 1sm7 n PRO 93 Ca -0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 1sm7 n PRO 93 Cb 0.13 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 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 0.35 0.22 3.54 2.35 -1.71 -2.97 115.58 117.36 1sm7 h ASN 94 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1sm7 h ASN 94 Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1sm7 h ASN 94 CO 0.00 1.64 -0.75 0.52 -1.65 0.00 0.00 177.43 177.19 1sm7 n VAL 95 N -3.92 0.00 -2.49 2.81 0.31 -1.09 -4.14 118.33 109.82 1sm7 n VAL 95 Ca -0.26 -0.01 -0.17 0.00 -0.01 0.00 0.00 64.34 63.89 1sm7 n VAL 95 Cb 0.90 0.67 0.02 0.00 -0.91 0.00 0.00 33.84 34.52 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 -0.45 -0.05 -0.09 0.00 3.02 -1.12 -4.58 115.26 111.99 1sm7 n ASN 97 Ca 0.26 0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.92 1sm7 n ASN 97 Cb 0.80 -0.55 0.12 0.00 -0.61 0.00 0.00 39.78 39.54 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 5.12 1.36 -3.23 3.52 0.00 -1.26 -4.87 117.12 117.77 1sm7 n MET 98 Ca 0.43 -2.38 -0.02 0.00 0.00 0.00 0.00 57.70 55.73 1sm7 n MET 98 Cb 0.03 -1.39 -0.03 0.00 0.00 0.00 0.00 33.22 31.83 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 -2.53 0.49 -0.10 3.17 2.20 -1.26 -4.68 119.74 117.02 1sm7 s LYS 99 Ca 0.27 0.35 0.09 0.00 -0.36 0.00 0.00 55.97 56.32 1sm7 s LYS 99 Cb 0.24 -0.02 0.44 0.00 -1.51 0.00 0.00 37.83 36.97 1sm7 s LYS 99 CO 0.03 -1.03 1.22 0.94 -0.36 0.00 0.00 175.35 176.14 1sm7 n GLN 100 N 5.39 2.91 0.00 4.03 0.00 -1.26 -4.51 117.38 123.94 1sm7 n GLN 100 Ca 0.03 -1.69 0.00 0.00 -0.00 0.00 0.00 57.00 55.33 1sm7 n GLN 100 Cb 0.52 -1.79 0.00 0.00 0.00 0.00 0.00 30.24 28.96 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 0.43 0.00 0.00 1.69 3.06 -1.26 -5.10 119.36 118.17 1sm7 n ILE 101 Ca 0.15 0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.46 1sm7 n ILE 101 Cb 0.68 -0.90 0.00 0.00 0.54 0.00 0.00 39.64 39.96 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sm7 n GLY 102 N 2.91 -0.17 0.08 4.50 0.00 -1.26 -5.09 105.19 106.16 1sm7 n GLY 102 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.32 -2.23 2.61 2.02 -1.92 -3.39 112.91 110.32 1sm7 h THR 103 Ca 0.00 -1.40 -0.60 0.00 0.77 0.00 0.00 66.41 65.18 1sm7 h THR 103 Cb 0.00 0.76 -0.42 0.00 -1.74 0.00 0.00 68.15 66.75 1sm7 h THR 103 CO 0.00 0.11 -0.60 0.00 0.37 0.00 0.00 175.52 175.39 1sm7 n PRO 105 N 0.91 1.48 -3.25 0.00 -0.04 -1.26 -4.87 135.00 127.97 1sm7 n PRO 105 Ca 0.29 -0.77 -0.27 0.00 -0.04 0.00 0.00 63.50 62.71 1sm7 n PRO 105 Cb 0.41 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 1.76 3.50 0.00 0.54 -0.71 -1.26 -4.87 117.98 116.93 1sm7 s PHE 106 Ca 0.46 0.56 0.00 0.00 -1.04 0.00 0.00 56.93 56.91 1sm7 s PHE 106 Cb 0.21 -2.06 0.00 0.00 -1.21 0.00 0.00 43.02 39.96 1sm7 s PHE 106 CO -0.00 0.09 0.00 0.44 -1.34 0.00 0.00 175.22 174.41 1sm7 n ILE 107 N -1.43 0.00 -0.77 -4.49 -5.35 -1.26 -5.01 119.36 101.05 1sm7 n ILE 107 Ca -0.02 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.28 1sm7 n ILE 107 Cb 0.55 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.38 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 4.99 1.32 -1.28 0.00 -1.26 -5.04 120.51 119.24 1sm7 n ALA 108 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 53.44 51.77 1sm7 n ALA 108 Cb 0.00 -2.71 0.37 0.00 0.00 0.00 0.00 19.45 17.11 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94