#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 -1.82 -0.01 -1.09 -0.04 -1.26 -5.01 135.00 125.77 1sm7 n PRO 2 Ca 0.00 -1.02 0.05 0.00 -0.04 0.00 0.00 63.50 62.48 1sm7 n PRO 2 Cb 0.00 -0.88 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 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 -3.16 0.65 -0.40 0.54 -0.06 -1.26 -4.28 117.38 109.42 1sm7 n GLN 3 Ca 0.09 -0.05 0.34 0.00 -2.00 0.00 0.00 57.00 55.38 1sm7 n GLN 3 Cb 0.33 -1.60 0.61 0.00 -4.06 0.00 0.00 30.24 25.52 1sm7 n GLN 3 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1sm7 h LYS 4 N 0.00 0.08 -0.33 3.69 6.56 -1.95 0.58 116.57 125.20 1sm7 h LYS 4 Ca -0.15 -0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.51 1sm7 h LYS 4 Cb 1.38 -0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 32.94 1sm7 h LYS 4 CO 0.01 0.06 -0.27 0.00 -2.06 0.00 0.00 179.45 177.19 1sm7 n GLN 6 N -5.40 -0.21 0.06 0.00 1.13 0.20 0.62 117.38 113.79 1sm7 n GLN 6 Ca 0.00 1.37 -0.19 0.00 -1.94 0.00 0.00 57.00 56.25 1sm7 n GLN 6 Cb 0.31 -2.04 -0.10 0.00 0.11 0.00 0.00 30.24 28.53 1sm7 n GLN 6 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1sm7 h ARG 7 N 0.00 0.60 -0.06 -1.09 2.43 -1.30 -3.23 114.38 111.72 1sm7 h ARG 7 Ca 0.31 -0.70 0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1sm7 h ARG 7 Cb 0.54 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1sm7 h ARG 7 CO -0.89 1.29 0.15 1.49 -1.51 0.00 0.00 179.97 180.51 1sm7 h GLU 8 N 0.31 0.00 0.11 0.20 4.81 0.37 0.81 114.58 121.20 1sm7 h GLU 8 Ca -0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1sm7 h GLU 8 Cb 1.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.12 1sm7 h GLU 8 CO 0.21 0.00 -0.05 0.35 -0.73 0.00 0.00 179.01 178.78 1sm7 h PHE 9 N 0.00 -0.14 -0.01 0.92 3.04 0.16 -3.30 116.94 117.62 1sm7 h PHE 9 Ca 0.03 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1sm7 h PHE 9 Cb 0.34 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1sm7 h PHE 9 CO 0.00 -0.09 -0.03 0.94 -2.02 0.00 0.00 178.31 177.11 1sm7 n GLN 10 N -4.84 1.11 0.05 1.11 7.27 -1.06 -1.74 117.38 119.29 1sm7 n GLN 10 Ca -0.02 -0.37 -0.02 0.00 0.07 0.00 0.00 57.00 56.66 1sm7 n GLN 10 Cb 0.06 -1.49 -0.01 0.00 2.41 0.00 0.00 30.24 31.21 1sm7 n GLN 10 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1sm7 h GLN 11 N 0.90 -0.13 0.00 3.69 1.08 0.56 -3.43 115.11 117.78 1sm7 h GLN 11 Ca 0.00 0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.08 1sm7 h GLN 11 Cb 0.26 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 27.59 1sm7 h GLN 11 CO 0.00 -0.09 -0.26 0.39 -0.95 0.00 0.00 178.83 177.92 1sm7 n GLU 12 N -2.48 0.41 -2.72 1.46 1.02 -1.26 -4.97 120.64 112.10 1sm7 n GLU 12 Ca -0.02 -0.98 -0.08 0.00 -0.02 0.00 0.00 57.16 56.06 1sm7 n GLU 12 Cb 0.06 0.47 0.10 0.00 -0.02 0.00 0.00 31.44 32.05 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 -0.47 1.14 0.00 3.49 7.27 -1.17 -5.11 117.38 122.53 1sm7 n GLN 13 Ca -0.23 -1.96 0.00 0.00 0.07 0.00 0.00 57.00 54.89 1sm7 n GLN 13 Cb 0.72 -0.42 0.00 0.00 2.41 0.00 0.00 30.24 32.95 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 -0.28 -0.15 -4.58 3.69 8.25 -0.71 -4.75 115.22 116.69 1sm7 n HIS 14 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1sm7 n HIS 14 Cb 0.80 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.80 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 2.74 0.00 2.41 1.43 -1.26 -5.04 118.68 118.96 1sm7 s LEU 15 Ca 0.00 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1sm7 s LEU 15 Cb 0.00 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1sm7 s LEU 15 CO 0.00 -0.48 0.00 -2.11 0.23 0.00 0.00 176.35 173.99 1sm7 n ARG 16 N -0.91 0.00 0.28 1.70 0.00 -1.26 -4.43 116.66 112.04 1sm7 n ARG 16 Ca -0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.90 1sm7 n ARG 16 Cb 0.67 0.00 0.40 0.00 -0.00 0.00 0.00 32.46 33.53 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sm7 h ALA 17 N 0.23 1.80 0.00 2.89 0.00 -1.94 0.19 119.26 122.42 1sm7 h ALA 17 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sm7 h ALA 17 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sm7 h ALA 17 CO 0.00 -0.76 -0.33 0.00 0.00 0.00 0.00 179.25 178.16 1sm7 n GLN 19 N -4.64 1.21 0.00 0.00 1.13 0.38 -3.86 117.38 111.60 1sm7 n GLN 19 Ca -0.10 -0.50 0.00 0.00 -1.94 0.00 0.00 57.00 54.46 1sm7 n GLN 19 Cb 0.31 -1.20 0.00 0.00 0.11 0.00 0.00 30.24 29.46 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 0.23 0.00 -0.03 -1.09 1.13 0.36 -4.59 117.38 113.39 1sm7 n GLN 20 Ca 0.10 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.31 1sm7 n GLN 20 Cb 0.70 -0.26 0.59 0.00 0.11 0.00 0.00 30.24 31.37 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 0.23 0.04 1.08 5.08 -1.56 0.78 115.95 121.60 1sm7 h TRP 21 Ca 0.00 0.01 -0.23 0.00 1.08 0.00 0.00 58.89 59.75 1sm7 h TRP 21 Cb 0.00 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 26.07 1sm7 h TRP 21 CO 0.00 0.11 -1.07 0.82 -1.28 0.00 0.00 178.44 177.02 1sm7 h ILE 22 N 0.21 1.62 -0.02 0.12 2.04 -1.83 -3.18 117.51 116.47 1sm7 h ILE 22 Ca 0.25 -3.22 -0.14 0.00 1.00 0.00 0.00 64.86 62.75 1sm7 h ILE 22 Cb 0.71 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 1sm7 h ILE 22 CO -0.05 0.93 -0.65 0.03 0.00 0.00 0.00 178.15 178.41 1sm7 h ARG 23 N 0.03 0.10 0.00 2.37 -0.00 -0.61 -3.12 114.38 113.16 1sm7 h ARG 23 Ca -0.05 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1sm7 h ARG 23 Cb 1.81 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.79 1sm7 h ARG 23 CO 0.15 0.71 0.00 -0.56 0.00 0.00 0.00 179.97 180.28 1sm7 h GLN 24 N 0.07 0.00 0.00 0.04 -0.00 0.35 -0.29 115.11 115.28 1sm7 h GLN 24 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1sm7 h GLN 24 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.64 1sm7 h GLN 24 CO 0.09 0.00 -0.01 0.37 -0.00 0.00 0.00 178.83 179.28 1sm7 h GLN 25 N 0.00 0.00 -5.61 0.06 5.75 -1.59 -3.46 115.11 110.25 1sm7 h GLN 25 Ca 0.00 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.88 1sm7 h GLN 25 Cb 0.23 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 28.67 1sm7 h GLN 25 CO 0.00 0.00 -0.51 -0.51 -2.65 0.00 0.00 178.83 175.16 1sm7 s LEU 26 N -4.80 2.74 0.00 -2.39 1.02 -0.13 -5.00 118.68 110.12 1sm7 s LEU 26 Ca 0.10 -1.36 0.26 0.00 0.02 0.00 0.00 54.13 53.14 1sm7 s LEU 26 Cb 0.11 -1.03 1.47 0.00 0.02 0.00 0.00 46.19 46.76 1sm7 s LEU 26 CO 0.61 -0.68 1.89 0.00 0.02 0.00 0.00 176.35 178.19 1sm7 n ALA 27 N -1.23 2.41 0.36 4.21 0.00 -1.26 -3.66 120.51 121.33 1sm7 n ALA 27 Ca -0.08 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1sm7 n ALA 27 Cb 0.66 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.60 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 4.11 -0.92 -5.99 0.00 0.00 -1.95 -3.42 103.07 94.90 1sm7 h GLY 28 Ca 0.00 0.34 -0.40 0.00 0.00 0.00 0.00 47.33 47.28 1sm7 h GLY 28 CO 0.00 -0.34 1.57 -1.26 0.00 0.00 0.00 176.54 176.51 1sm7 n SER 29 N -5.46 -0.15 -2.56 0.19 2.88 -1.18 -4.89 113.62 102.45 1sm7 n SER 29 Ca -0.13 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1sm7 n SER 29 Cb 0.36 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1sm7 n SER 29 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sm7 n PRO 30 N 6.59 0.29 -3.50 -1.46 -0.04 -1.26 -4.91 135.00 130.71 1sm7 n PRO 30 Ca 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 64.01 1sm7 n PRO 30 Cb 0.05 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.57 -1.25 0.00 0.54 0.08 -1.26 -4.48 117.98 111.03 1sm7 s PHE 31 Ca 0.00 1.88 0.00 0.00 0.12 0.00 0.00 56.93 58.93 1sm7 s PHE 31 Cb 0.00 0.57 0.00 0.00 -0.57 0.00 0.00 43.02 43.02 1sm7 s PHE 31 CO 0.00 -0.69 0.00 0.45 -0.10 0.00 0.00 175.22 174.88 1sm7 n SER 32 N 5.42 1.25 0.00 1.36 2.88 -1.26 -5.04 113.62 118.23 1sm7 n SER 32 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1sm7 n SER 32 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 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 -2.77 0.00 -1.43 -1.46 2.13 -1.26 -5.09 120.64 110.76 1sm7 n GLU 33 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1sm7 n GLU 33 Cb 0.46 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.25 1sm7 n GLU 33 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1sm7 s ASN 34 N -3.11 4.52 -0.90 4.31 0.01 -1.26 -4.94 114.94 113.57 1sm7 s ASN 34 Ca 0.00 2.02 -0.20 0.00 -0.71 0.00 0.00 52.86 53.97 1sm7 s ASN 34 Cb 0.00 -2.55 0.11 0.00 0.41 0.00 0.00 41.25 39.23 1sm7 s ASN 34 CO 0.00 -2.03 1.14 -1.10 -1.51 0.00 0.00 177.10 173.60 1sm7 s GLN 35 N -4.39 3.53 -0.25 -0.60 1.11 -1.26 -4.83 119.66 112.98 1sm7 s GLN 35 Ca 0.66 -1.57 -0.02 0.00 0.01 0.00 0.00 55.36 54.44 1sm7 s GLN 35 Cb -0.21 -4.88 0.11 0.00 -1.01 0.00 0.00 33.01 27.02 1sm7 s GLN 35 CO 0.49 -1.82 2.26 0.91 0.01 0.00 0.00 175.29 177.13 1sm7 n TRP 36 N 6.95 1.11 -1.34 0.91 8.01 -1.26 -4.18 117.44 127.63 1sm7 n TRP 36 Ca 0.21 -1.73 0.00 0.00 -1.31 0.00 0.00 57.50 54.68 1sm7 n TRP 36 Cb 0.49 -0.98 0.00 0.00 -2.01 0.00 0.00 31.31 28.81 1sm7 n TRP 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sm7 n GLY 37 N 0.84 3.02 0.00 6.99 0.00 -1.26 -4.81 105.19 109.97 1sm7 n GLY 37 Ca 0.28 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.40 0.07 1.61 -0.04 -1.26 -0.63 135.00 135.14 1sm7 n PRO 38 Ca 0.00 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 1sm7 n PRO 38 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1sm7 n PRO 38 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1sm7 h GLN 39 N 0.00 -0.18 -0.04 0.54 7.50 -1.93 -3.34 115.11 117.66 1sm7 h GLN 39 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1sm7 h GLN 39 Cb 0.12 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1sm7 h GLN 39 CO 0.00 0.18 0.00 1.04 -1.50 0.00 0.00 178.83 178.55 1sm7 n GLN 40 N -5.00 2.65 -0.33 1.46 6.02 -1.22 -4.79 117.38 116.18 1sm7 n GLN 40 Ca -0.09 -1.80 0.07 0.00 -0.01 0.00 0.00 57.00 55.17 1sm7 n GLN 40 Cb 0.23 -1.15 0.16 0.00 1.02 0.00 0.00 30.24 30.51 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1sm7 h GLY 41 N 0.24 0.80 2.00 1.08 0.00 -1.00 0.60 103.07 106.80 1sm7 h GLY 41 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 1sm7 h GLY 41 CO 0.01 -0.39 -0.18 -0.56 0.00 0.00 0.00 176.54 175.42 1sm7 h PRO 42 N 0.01 0.00 -3.82 4.80 0.13 -1.86 -3.38 132.00 127.88 1sm7 h PRO 42 Ca 0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.98 1sm7 h PRO 42 Cb 0.80 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.94 1sm7 h PRO 42 CO -0.94 0.18 2.96 0.43 -0.23 0.00 0.00 178.00 180.40 1sm7 n SER 43 N -3.21 4.69 0.00 1.44 7.64 0.21 -3.35 113.62 121.04 1sm7 n SER 43 Ca 0.02 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1sm7 n SER 43 Cb 0.50 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 5.62 0.00 -0.05 -3.43 4.32 -1.26 -4.80 117.00 117.40 1sm7 n LEU 44 Ca 0.55 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.47 1sm7 n LEU 44 Cb 0.31 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1sm7 n LEU 44 CO 0.89 0.00 0.79 0.03 -1.22 0.00 0.00 177.39 177.88 1sm7 h ARG 45 N 0.00 -0.08 -0.43 3.23 -0.00 -1.82 0.77 114.38 116.06 1sm7 h ARG 45 Ca 0.00 0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.38 1sm7 h ARG 45 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 29.97 1sm7 h ARG 45 CO 0.00 -0.05 -0.17 0.93 0.00 0.00 0.00 179.97 180.68 1sm7 h GLU 46 N -0.08 0.81 0.23 0.04 5.08 -1.92 0.35 114.58 119.10 1sm7 h GLU 46 Ca 0.12 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1sm7 h GLU 46 Cb 0.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sm7 h GLU 46 CO -0.28 0.93 -0.11 0.37 -1.00 0.00 0.00 179.01 178.92 1sm7 h GLN 47 N 0.72 -0.29 -0.69 2.33 4.15 -1.69 -2.73 115.11 116.90 1sm7 h GLN 47 Ca 0.11 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.62 1sm7 h GLN 47 Cb 0.68 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 1sm7 h GLN 47 CO 0.05 0.03 0.46 0.00 -1.93 0.00 0.00 178.83 177.44 1sm7 n ASN 50 N -2.63 1.62 0.00 0.00 5.03 0.10 -4.12 115.26 115.27 1sm7 n ASN 50 Ca -0.02 -0.36 0.11 0.00 0.87 0.00 0.00 54.58 55.18 1sm7 n ASN 50 Cb 0.09 1.22 -0.08 0.00 -1.02 0.00 0.00 39.78 39.99 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 -1.53 0.21 -0.02 3.52 0.28 0.24 -3.71 120.64 119.63 1sm7 n GLU 51 Ca -0.00 -0.05 0.06 0.00 -0.16 0.00 0.00 57.16 57.01 1sm7 n GLU 51 Cb 0.20 -1.52 -0.14 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.78 0.00 -0.43 -1.84 -0.00 0.23 -4.33 117.00 108.85 1sm7 n LEU 52 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.16 1sm7 n LEU 52 Cb 0.41 0.07 0.34 0.00 -0.00 0.00 0.00 43.42 44.23 1sm7 n LEU 52 CO 0.43 0.07 0.66 0.00 -0.00 0.00 0.00 177.39 178.55 1sm7 n TYR 53 N -2.19 0.00 0.05 1.47 4.19 -1.26 -3.67 117.16 115.75 1sm7 n TYR 53 Ca -0.07 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.07 1sm7 n TYR 53 Cb 0.55 -0.05 -0.12 0.00 0.49 0.00 0.00 39.34 40.21 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 2.13 0.00 -0.13 2.98 3.07 -1.75 -3.24 115.11 118.16 1sm7 h GLN 54 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1sm7 h GLN 54 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1sm7 h GLN 54 CO 0.00 0.90 0.00 0.39 0.09 0.00 0.00 178.83 180.21 1sm7 n GLU 55 N -3.29 1.15 -0.02 0.06 1.02 -1.24 -5.01 120.64 113.31 1sm7 n GLU 55 Ca -0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1sm7 n GLU 55 Cb 0.96 -1.08 -0.00 0.00 -0.02 0.00 0.00 31.44 31.29 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 -0.30 -0.61 0.09 1.62 2.03 -1.23 -3.57 116.55 114.58 1sm7 n ASP 56 Ca 0.02 0.02 0.02 0.00 0.52 0.00 0.00 54.79 55.37 1sm7 n ASP 56 Cb 0.07 -0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 -1.87 -2.17 115.11 117.91 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 0.02 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1sm7 h GLN 57 CO 0.00 0.39 0.00 0.28 -1.50 0.00 0.00 178.83 178.00 1sm7 n VAL 58 N -3.06 0.94 -0.01 -0.54 0.31 -1.26 -2.52 118.33 112.19 1sm7 n VAL 58 Ca -0.03 0.24 -0.01 0.00 -0.01 0.00 0.00 64.34 64.53 1sm7 n VAL 58 Cb 0.77 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.24 -1.78 0.00 2.07 -1.08 -3.20 116.25 112.51 1sm7 h VAL 60 Ca -0.07 -0.03 0.35 0.00 0.82 0.00 0.00 66.70 67.76 1sm7 h VAL 60 Cb 0.92 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.74 1sm7 h VAL 60 CO 0.00 0.02 0.90 0.00 0.02 0.00 0.00 177.57 178.51 1sm7 n PRO 62 N -0.73 0.46 -0.33 0.00 -0.04 -1.26 -4.71 135.00 128.39 1sm7 n PRO 62 Ca -0.02 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.58 1sm7 n PRO 62 Cb 0.61 -1.35 0.28 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.09 -1.05 0.52 2.02 -1.83 0.52 112.91 113.17 1sm7 h THR 63 Ca 0.00 -0.01 0.29 0.00 0.77 0.00 0.00 66.41 67.46 1sm7 h THR 63 Cb 0.00 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.40 1sm7 h THR 63 CO 0.00 0.01 0.74 0.25 0.37 0.00 0.00 175.52 176.89 1sm7 h LEU 64 N 0.04 0.12 -1.98 2.58 6.46 -1.68 0.41 115.31 121.27 1sm7 h LEU 64 Ca 0.58 0.02 0.46 0.00 -0.12 0.00 0.00 57.88 58.83 1sm7 h LEU 64 Cb 1.19 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1sm7 h LEU 64 CO -0.86 0.03 1.16 0.50 -0.62 0.00 0.00 178.44 178.65 1sm7 h LYS 65 N 0.11 0.00 -0.12 1.25 3.64 -0.28 0.43 116.57 121.61 1sm7 h LYS 65 Ca 0.53 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.85 1sm7 h LYS 65 Cb 1.88 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1sm7 h LYS 65 CO -0.08 0.00 -0.15 0.37 -2.27 0.00 0.00 179.45 177.31 1sm7 h GLN 66 N 0.00 0.31 0.00 1.90 5.75 -0.33 0.32 115.11 123.06 1sm7 h GLN 66 Ca 0.76 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 1sm7 h GLN 66 Cb 3.07 0.01 0.00 0.00 1.07 0.00 0.00 27.48 31.64 1sm7 h GLN 66 CO -0.01 0.74 0.00 0.00 -2.65 0.00 0.00 178.83 176.91 1sm7 n ALA 67 N -2.43 1.75 0.14 3.38 0.00 0.14 -1.59 120.51 121.90 1sm7 n ALA 67 Ca -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1sm7 n ALA 67 Cb 0.37 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.17 2.44 -0.80 0.00 0.00 -0.54 -4.35 120.51 116.08 1sm7 n ALA 68 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1sm7 n ALA 68 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1sm7 n ALA 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sm7 n LYS 69 N -0.51 0.00 -0.79 0.00 3.00 0.08 -4.40 118.16 115.54 1sm7 n LYS 69 Ca 0.01 0.07 -0.18 0.00 -0.00 0.00 0.00 58.31 58.21 1sm7 n LYS 69 Cb 0.06 -0.44 -0.06 0.00 0.00 0.00 0.00 35.03 34.59 1sm7 n LYS 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sm7 n SER 70 N -1.08 4.85 -0.02 3.14 7.64 -1.18 -3.80 113.62 123.17 1sm7 n SER 70 Ca 0.00 -2.28 0.02 0.00 1.01 0.00 0.00 58.87 57.61 1sm7 n SER 70 Cb 0.00 -1.10 -0.08 0.00 -1.01 0.00 0.00 64.21 62.02 1sm7 n SER 70 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1sm7 n VAL 71 N 3.42 0.26 -3.49 0.44 3.14 -1.26 -5.00 118.33 115.85 1sm7 n VAL 71 Ca 0.42 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1sm7 n VAL 71 Cb 0.36 -0.11 -0.05 0.00 -1.06 0.00 0.00 33.84 32.98 1sm7 n VAL 71 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1sm7 s ARG 72 N -2.58 0.32 -0.47 1.45 3.00 -1.25 -4.79 118.95 114.64 1sm7 s ARG 72 Ca -0.04 0.72 0.06 0.00 -1.00 0.00 0.00 55.73 55.47 1sm7 s ARG 72 Cb 0.06 0.33 0.28 0.00 0.00 0.00 0.00 34.95 35.61 1sm7 s ARG 72 CO 0.45 -0.10 0.94 0.28 0.00 0.00 0.00 175.30 176.87 1sm7 n VAL 73 N 4.57 -0.05 0.00 7.11 0.31 -1.26 -4.14 118.33 124.86 1sm7 n VAL 73 Ca -0.12 -1.81 0.00 0.00 -0.01 0.00 0.00 64.34 62.40 1sm7 n VAL 73 Cb 0.54 1.19 0.00 0.00 -0.91 0.00 0.00 33.84 34.66 1sm7 n VAL 73 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1sm7 n GLN 74 N 1.09 0.00 -4.00 5.55 7.27 -1.26 -5.09 117.38 120.94 1sm7 n GLN 74 Ca 0.09 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.95 1sm7 n GLN 74 Cb 0.65 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.27 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1sm7 s GLY 75 N 0.00 1.29 -1.12 1.69 0.00 -1.26 -5.05 107.32 102.87 1sm7 s GLY 75 Ca 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 44.72 43.35 1sm7 s GLY 75 CO 0.00 -1.32 1.44 0.61 0.00 0.00 0.00 173.10 173.83 1sm7 n GLN 76 N -1.35 4.08 0.00 2.90 10.64 -1.26 -4.92 117.38 127.47 1sm7 n GLN 76 Ca -0.08 -4.36 0.00 0.00 -1.83 0.00 0.00 57.00 50.73 1sm7 n GLN 76 Cb 0.57 -2.61 0.00 0.00 -0.86 0.00 0.00 30.24 27.35 1sm7 n GLN 76 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1sm7 n HIS 77 N 2.24 0.00 0.00 2.61 -0.00 -1.26 -5.13 115.22 113.68 1sm7 n HIS 77 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 1sm7 n HIS 77 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sm7 n GLY 78 N 4.31 -0.32 0.00 -1.41 0.00 -1.26 -5.07 105.19 101.44 1sm7 n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sm7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 79 N -2.21 0.33 -2.84 1.61 -0.04 -1.26 -5.00 135.00 125.59 1sm7 n PRO 79 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1sm7 n PRO 79 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1sm7 n PRO 79 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1sm7 s PHE 80 N -0.42 3.65 0.32 0.54 5.36 -1.26 -4.94 117.98 121.23 1sm7 s PHE 80 Ca 0.00 1.54 0.08 0.00 -0.96 0.00 0.00 56.93 57.59 1sm7 s PHE 80 Cb 0.00 -2.99 0.93 0.00 -0.34 0.00 0.00 43.02 40.62 1sm7 s PHE 80 CO 0.00 0.05 1.61 1.96 -1.46 0.00 0.00 175.22 177.38 1sm7 h GLN 81 N 6.65 0.11 -0.74 10.12 7.50 -1.94 0.55 115.11 137.36 1sm7 h GLN 81 Ca -0.41 -0.01 0.17 0.00 0.50 0.00 0.00 58.65 58.90 1sm7 h GLN 81 Cb 1.21 -0.02 -0.12 0.00 0.05 0.00 0.00 27.48 28.60 1sm7 h GLN 81 CO 0.75 0.07 0.12 0.77 -1.50 0.00 0.00 178.83 179.04 1sm7 h SER 82 N 0.11 -0.10 -0.96 1.46 0.02 -1.90 0.62 113.55 112.81 1sm7 h SER 82 Ca 0.66 0.16 0.14 0.00 -0.84 0.00 0.00 61.79 61.91 1sm7 h SER 82 Cb 1.50 0.24 -0.15 0.00 0.14 0.00 0.00 62.40 64.14 1sm7 h SER 82 CO -0.76 -0.09 -0.41 1.07 -1.14 0.00 0.00 176.83 175.50 1sm7 n THR 83 N -5.22 -0.53 -0.02 -2.27 5.66 0.19 -0.13 114.28 111.96 1sm7 n THR 83 Ca 0.14 2.25 -0.21 0.00 -3.05 0.00 0.00 64.05 63.18 1sm7 n THR 83 Cb 0.47 -2.94 -0.13 0.00 -1.55 0.00 0.00 70.33 66.18 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 0.18 -0.89 1.09 9.65 -1.18 -3.11 114.38 120.12 1sm7 h ARG 84 Ca 0.30 -0.30 0.19 0.00 -1.10 0.00 0.00 59.98 59.07 1sm7 h ARG 84 Cb 0.54 0.11 -0.17 0.00 -1.39 0.00 0.00 29.97 29.06 1sm7 h ARG 84 CO -0.94 1.14 -0.18 0.82 2.80 0.00 0.00 179.97 183.62 1sm7 h ILE 85 N -0.45 0.12 -0.45 1.20 1.08 0.56 0.31 117.51 119.88 1sm7 h ILE 85 Ca -0.32 -0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.07 1sm7 h ILE 85 Cb 1.65 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1sm7 h ILE 85 CO -0.00 0.00 -0.05 1.88 -0.69 0.00 0.00 178.15 179.29 1sm7 h TYR 86 N 0.01 0.91 0.00 1.37 -1.99 -0.66 -1.01 116.97 115.60 1sm7 h TYR 86 Ca 0.44 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 61.00 1sm7 h TYR 86 Cb 0.72 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1sm7 h TYR 86 CO -0.65 0.90 0.32 1.96 -0.00 0.00 0.00 178.16 180.69 1sm7 h GLN 87 N 0.67 0.00 0.01 4.88 4.20 -0.34 0.70 115.11 125.23 1sm7 h GLN 87 Ca 0.12 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.44 1sm7 h GLN 87 Cb 0.56 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1sm7 h GLN 87 CO 0.03 0.00 -2.44 -0.89 -0.67 0.00 0.00 178.83 174.86 1sm7 n ILE 88 N -2.59 1.52 1.69 2.54 5.41 -0.70 -4.23 119.36 122.99 1sm7 n ILE 88 Ca -0.02 -0.56 0.09 0.00 1.00 0.00 0.00 62.75 63.26 1sm7 n ILE 88 Cb 0.36 -1.47 0.53 0.00 -0.71 0.00 0.00 39.64 38.35 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 -3.29 2.45 0.06 -1.39 0.00 -0.28 -3.03 120.51 115.02 1sm7 n ALA 89 Ca -0.45 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 1sm7 n ALA 89 Cb 0.99 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 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 0.00 0.25 -0.85 0.00 5.09 0.17 -3.23 116.57 117.99 1sm7 h LYS 90 Ca 0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 60.65 60.27 1sm7 h LYS 90 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 32.23 32.46 1sm7 h LYS 90 CO 0.00 1.10 0.06 0.09 -2.09 0.00 0.00 179.45 178.61 1sm7 n ASN 91 N -3.44 3.15 -0.01 7.07 3.02 -1.17 -4.23 115.26 119.64 1sm7 n ASN 91 Ca -0.17 -2.47 -0.01 0.00 -0.03 0.00 0.00 54.58 51.90 1sm7 n ASN 91 Cb 1.04 -0.60 -0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 1.62 -0.06 -0.40 3.41 3.38 -1.69 -3.25 115.31 118.31 1sm7 h LEU 92 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sm7 h LEU 92 Cb 1.29 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1sm7 h LEU 92 CO 0.27 0.35 0.00 1.55 0.09 0.00 0.00 178.44 180.70 1sm7 h PRO 93 N -0.85 0.00 0.00 1.13 0.13 -1.81 -0.62 132.00 129.98 1sm7 h PRO 93 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1sm7 h PRO 93 Cb 0.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1sm7 h PRO 93 CO 0.01 0.00 -0.25 -0.91 -0.23 0.00 0.00 178.00 176.62 1sm7 h ASN 94 N 0.00 0.00 -0.00 1.44 2.35 -1.74 -0.58 115.58 117.05 1sm7 h ASN 94 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sm7 h ASN 94 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1sm7 h ASN 94 CO 0.00 0.25 -0.33 0.52 -1.65 0.00 0.00 177.43 176.22 1sm7 n VAL 95 N -3.55 0.00 -2.32 2.81 0.31 -1.02 -4.50 118.33 110.06 1sm7 n VAL 95 Ca -0.01 -0.34 -0.17 0.00 -0.01 0.00 0.00 64.34 63.82 1sm7 n VAL 95 Cb 0.39 1.03 0.03 0.00 -0.91 0.00 0.00 33.84 34.38 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 0.37 -0.26 0.00 3.02 -0.24 -4.69 115.26 112.83 1sm7 n ASN 97 Ca 0.32 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.21 1sm7 n ASN 97 Cb 0.89 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 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 3.76 0.06 -3.07 3.52 0.00 -1.26 -4.89 117.12 115.24 1sm7 n MET 98 Ca 0.28 -0.80 -0.17 0.00 0.00 0.00 0.00 57.70 57.00 1sm7 n MET 98 Cb -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 33.22 32.67 1sm7 n MET 98 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1sm7 n LYS 99 N -0.03 0.91 -0.56 3.17 0.00 -1.26 -4.73 118.16 115.66 1sm7 n LYS 99 Ca 0.00 -2.95 0.45 0.00 -0.00 0.00 0.00 58.31 55.81 1sm7 n LYS 99 Cb 0.60 -1.46 0.74 0.00 -0.00 0.00 0.00 35.03 34.91 1sm7 n LYS 99 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1sm7 h GLN 100 N 3.27 0.03 0.70 -1.58 -0.00 -1.99 0.52 115.11 116.06 1sm7 h GLN 100 Ca 0.04 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 100 Cb 0.98 -0.01 0.01 0.00 0.00 0.00 0.00 27.48 28.46 1sm7 h GLN 100 CO 0.41 0.02 -0.34 0.97 0.00 0.00 0.00 178.83 179.89 1sm7 h ILE 101 N 0.03 0.16 0.00 2.39 6.09 -2.00 -3.49 117.51 120.69 1sm7 h ILE 101 Ca 0.86 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 64.12 1sm7 h ILE 101 Cb 3.14 0.21 0.00 0.00 0.47 0.00 0.00 36.82 40.63 1sm7 h ILE 101 CO -0.21 0.02 0.00 0.61 -3.07 0.00 0.00 178.15 175.50 1sm7 n GLY 102 N -0.93 0.81 0.08 8.18 0.00 0.18 -5.07 105.19 108.43 1sm7 n GLY 102 Ca -0.13 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 1sm7 n GLY 102 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sm7 h THR 103 N 0.00 1.21 -2.15 2.61 1.35 -1.88 -3.40 112.91 110.66 1sm7 h THR 103 Ca 0.00 -2.07 -0.58 0.00 -0.55 0.00 0.00 66.41 63.21 1sm7 h THR 103 Cb 0.00 2.45 -0.41 0.00 -1.73 0.00 0.00 68.15 68.46 1sm7 h THR 103 CO 0.00 0.41 -0.77 0.00 -0.25 0.00 0.00 175.52 174.91 1sm7 n PRO 105 N 0.65 0.66 -0.77 0.00 -0.04 -1.26 -4.85 135.00 129.39 1sm7 n PRO 105 Ca 0.28 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 1sm7 n PRO 105 Cb 0.46 -1.26 0.13 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.76 -1.70 0.00 0.54 1.16 -1.26 -4.87 117.46 110.56 1sm7 n PHE 106 Ca 0.08 0.20 0.00 0.00 -1.87 0.00 0.00 57.45 55.86 1sm7 n PHE 106 Cb 0.04 -1.62 0.00 0.00 -1.61 0.00 0.00 39.48 36.29 1sm7 n PHE 106 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 1sm7 n ILE 107 N -3.91 0.00 -0.89 1.97 -5.35 -1.26 -4.92 119.36 105.00 1sm7 n ILE 107 Ca 0.02 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.24 1sm7 n ILE 107 Cb 0.60 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.48 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 5.47 -0.14 -1.28 0.00 -1.26 -5.00 120.51 118.30 1sm7 n ALA 108 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1sm7 n ALA 108 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.35 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94