#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 1.50 0.02 3.69 -0.04 -1.26 -4.65 135.00 134.26 1sm7 n PRO 2 Ca 0.00 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.67 1sm7 n PRO 2 Cb 0.00 0.00 0.57 0.00 -0.04 0.00 0.00 33.50 34.03 1sm7 n PRO 2 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1sm7 h GLN 3 N 0.00 0.00 -0.68 0.54 5.75 -1.97 -1.06 115.11 117.69 1sm7 h GLN 3 Ca 0.00 0.00 0.20 0.00 -0.15 0.00 0.00 58.65 58.70 1sm7 h GLN 3 Cb 0.00 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 28.42 1sm7 h GLN 3 CO 0.00 0.00 0.07 1.17 -2.65 0.00 0.00 178.83 177.42 1sm7 n LYS 4 N -3.32 -0.05 -0.08 1.69 0.00 -1.26 0.50 118.16 115.64 1sm7 n LYS 4 Ca 0.12 1.01 -0.19 0.00 0.00 0.00 0.00 58.31 59.25 1sm7 n LYS 4 Cb 0.99 -1.64 -0.12 0.00 0.00 0.00 0.00 35.03 34.25 1sm7 n LYS 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sm7 h GLN 6 N -0.92 0.00 0.38 0.00 4.20 -1.26 0.42 115.11 117.93 1sm7 h GLN 6 Ca -0.22 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 1sm7 h GLN 6 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1sm7 h GLN 6 CO -0.11 0.00 -0.18 -0.09 -0.67 0.00 0.00 178.83 177.78 1sm7 h ARG 7 N 0.00 -0.49 -0.24 1.46 2.43 -0.12 -1.02 114.38 116.41 1sm7 h ARG 7 Ca 0.57 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.72 1sm7 h ARG 7 Cb 2.47 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 32.12 1sm7 h ARG 7 CO -0.01 -0.19 -0.09 0.93 -1.51 0.00 0.00 179.97 179.10 1sm7 h GLU 8 N -0.82 0.38 -0.45 0.20 4.39 -0.82 0.23 114.58 117.69 1sm7 h GLU 8 Ca -0.05 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.43 1sm7 h GLU 8 Cb 0.53 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1sm7 h GLU 8 CO 0.09 0.49 -0.22 0.35 -1.16 0.00 0.00 179.01 178.55 1sm7 h PHE 9 N 0.36 1.10 -0.21 4.33 3.04 -0.39 -2.90 116.94 122.26 1sm7 h PHE 9 Ca 0.07 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.75 1sm7 h PHE 9 Cb 0.39 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.65 1sm7 h PHE 9 CO 0.01 1.09 0.00 0.94 -2.02 0.00 0.00 178.31 178.33 1sm7 n GLN 10 N -4.14 2.10 0.29 1.11 7.27 -0.39 -1.55 117.38 122.07 1sm7 n GLN 10 Ca -0.01 -1.64 -0.12 0.00 0.07 0.00 0.00 57.00 55.30 1sm7 n GLN 10 Cb 0.46 -1.46 -0.06 0.00 2.41 0.00 0.00 30.24 31.60 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 3.42 -0.75 0.00 3.69 4.15 -0.34 -3.44 115.11 121.85 1sm7 h GLN 11 Ca 0.00 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1sm7 h GLN 11 Cb 0.75 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1sm7 h GLN 11 CO 0.00 -0.50 -0.05 -0.85 -1.93 0.00 0.00 178.83 175.51 1sm7 n GLU 12 N -4.91 0.00 -2.76 1.69 0.28 -1.26 -4.97 120.64 108.70 1sm7 n GLU 12 Ca -0.10 -0.16 -0.09 0.00 -0.16 0.00 0.00 57.16 56.65 1sm7 n GLU 12 Cb 0.31 0.10 0.07 0.00 1.43 0.00 0.00 31.44 33.35 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 1.12 0.00 3.44 6.02 -1.23 -5.13 117.38 121.60 1sm7 n GLN 13 Ca -0.04 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 1sm7 n GLN 13 Cb 0.43 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.91 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 -0.14 -2.29 -3.71 1.08 8.25 -0.60 -4.71 115.22 113.10 1sm7 n HIS 14 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 1sm7 n HIS 14 Cb 0.79 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.86 1sm7 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sm7 s LEU 15 N 0.00 3.45 0.00 2.41 2.01 -1.26 -5.04 118.68 120.24 1sm7 s LEU 15 Ca 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 54.13 53.47 1sm7 s LEU 15 Cb 0.00 -2.07 0.00 0.00 0.01 0.00 0.00 46.19 44.13 1sm7 s LEU 15 CO 0.00 -0.51 0.00 0.54 1.01 0.00 0.00 176.35 177.39 1sm7 n ARG 16 N -1.44 0.00 -0.55 1.70 1.74 -1.26 -4.73 116.66 112.11 1sm7 n ARG 16 Ca 0.01 0.00 0.44 0.00 -0.77 0.00 0.00 57.85 57.53 1sm7 n ARG 16 Cb 0.61 0.00 0.72 0.00 -1.02 0.00 0.00 32.46 32.77 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sm7 n ALA 17 N -1.31 1.54 -0.01 7.54 0.00 -1.26 0.24 120.51 127.24 1sm7 n ALA 17 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.08 1sm7 n ALA 17 Cb 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 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 -4.79 1.71 0.00 0.00 10.64 0.13 -4.06 117.38 121.00 1sm7 n GLN 19 Ca -0.09 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 53.62 1sm7 n GLN 19 Cb 0.32 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 1sm7 n GLN 19 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1sm7 n GLN 20 N 0.19 0.00 -0.03 2.61 6.02 0.14 -4.82 117.38 121.48 1sm7 n GLN 20 Ca 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.35 1sm7 n GLN 20 Cb 0.72 -0.36 0.46 0.00 1.02 0.00 0.00 30.24 32.08 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1sm7 h TRP 21 N 0.00 0.48 0.00 1.08 5.08 -1.43 0.28 115.95 121.44 1sm7 h TRP 21 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1sm7 h TRP 21 Cb 0.00 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 26.00 1sm7 h TRP 21 CO 0.00 0.27 0.00 0.82 -1.28 0.00 0.00 178.44 178.25 1sm7 h ILE 22 N 0.49 0.00 0.00 0.12 2.04 -1.83 0.21 117.51 118.55 1sm7 h ILE 22 Ca 0.20 -0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.74 1sm7 h ILE 22 Cb 0.19 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1sm7 h ILE 22 CO -0.05 0.00 -1.96 0.54 0.00 0.00 0.00 178.15 176.67 1sm7 n ARG 23 N -2.83 0.65 0.08 2.37 3.00 0.01 -4.28 116.66 115.65 1sm7 n ARG 23 Ca -0.02 0.19 0.12 0.00 -0.01 0.00 0.00 57.85 58.12 1sm7 n ARG 23 Cb 0.06 -1.69 0.46 0.00 0.00 0.00 0.00 32.46 31.29 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 -2.94 0.17 0.08 5.56 6.02 -0.26 -3.08 117.38 122.92 1sm7 n GLN 24 Ca -0.23 0.23 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1sm7 n GLN 24 Cb 1.09 -1.73 0.42 0.00 1.02 0.00 0.00 30.24 31.03 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 -2.04 0.11 -1.09 -1.09 -0.00 0.58 -4.79 117.38 109.07 1sm7 n GLN 25 Ca 0.05 0.35 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 1sm7 n GLN 25 Cb 0.33 -1.72 0.00 0.00 -0.00 0.00 0.00 30.24 28.86 1sm7 n GLN 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1sm7 n LEU 26 N -1.93 0.00 0.00 2.61 4.32 -1.18 -5.03 117.00 115.79 1sm7 n LEU 26 Ca 0.03 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.15 1sm7 n LEU 26 Cb 0.21 0.00 0.51 0.00 -1.62 0.00 0.00 43.42 42.52 1sm7 n LEU 26 CO 0.17 -0.12 0.81 0.00 -1.22 0.00 0.00 177.39 177.03 1sm7 n ALA 27 N -3.00 2.67 -0.83 -1.18 0.00 -1.26 -4.48 120.51 112.42 1sm7 n ALA 27 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 1sm7 n ALA 27 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 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 1.49 3.17 2.71 0.00 0.00 -1.26 -4.27 105.19 107.04 1sm7 n GLY 28 Ca 0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1sm7 n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sm7 n SER 29 N 4.48 -2.52 -4.45 1.61 3.41 -1.26 -4.43 113.62 110.46 1sm7 n SER 29 Ca 0.48 -3.41 -0.29 0.00 -0.26 0.00 0.00 58.87 55.38 1sm7 n SER 29 Cb 0.17 1.72 0.17 0.00 -0.26 0.00 0.00 64.21 66.01 1sm7 n SER 29 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1sm7 s PRO 30 N 0.41 0.46 -0.32 4.33 0.04 -1.26 -4.97 135.00 133.69 1sm7 s PRO 30 Ca 0.29 0.10 0.17 0.00 0.04 0.00 0.00 61.00 61.61 1sm7 s PRO 30 Cb 0.25 -1.78 0.46 0.00 0.04 0.00 0.00 34.50 33.47 1sm7 s PRO 30 CO -0.17 -2.62 1.13 1.19 0.04 0.00 0.00 177.00 176.57 1sm7 n PHE 31 N -4.03 0.22 0.21 0.56 3.72 -1.26 -4.26 117.46 112.61 1sm7 n PHE 31 Ca 0.09 -2.33 -0.08 0.00 -0.05 0.00 0.00 57.45 55.08 1sm7 n PHE 31 Cb 0.59 0.21 -0.04 0.00 -0.94 0.00 0.00 39.48 39.31 1sm7 n PHE 31 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1sm7 h SER 32 N 2.49 -0.45 0.00 4.37 0.87 -2.01 -3.45 113.55 115.38 1sm7 h SER 32 Ca -0.18 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1sm7 h SER 32 Cb 1.24 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1sm7 h SER 32 CO 0.23 -0.30 -0.54 1.21 -0.53 0.00 0.00 176.83 176.90 1sm7 n GLU 33 N -3.51 0.00 -3.24 2.24 2.13 -1.26 -4.97 120.64 112.02 1sm7 n GLU 33 Ca -0.07 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.30 1sm7 n GLU 33 Cb 0.21 -0.60 -0.05 0.00 0.27 0.00 0.00 31.44 31.27 1sm7 n GLU 33 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1sm7 s ASN 34 N -4.03 6.24 0.05 4.31 2.47 -1.26 -5.04 114.94 117.67 1sm7 s ASN 34 Ca 0.00 -1.76 -0.31 0.00 0.42 0.00 0.00 52.86 51.22 1sm7 s ASN 34 Cb 0.00 -2.24 -0.06 0.00 -1.45 0.00 0.00 41.25 37.50 1sm7 s ASN 34 CO 0.00 -0.92 1.26 0.00 -3.72 0.00 0.00 177.10 173.72 1sm7 s GLN 35 N 1.83 4.38 0.06 0.43 0.00 -1.26 -4.67 119.66 120.44 1sm7 s GLN 35 Ca 0.07 1.84 -0.15 0.00 -0.00 0.00 0.00 55.36 57.12 1sm7 s GLN 35 Cb -0.26 -3.38 -0.05 0.00 0.00 0.00 0.00 33.01 29.31 1sm7 s GLN 35 CO 0.03 -0.35 1.25 2.35 0.00 0.00 0.00 175.29 178.56 1sm7 h TRP 36 N 7.01 -0.75 0.00 9.60 2.91 -1.94 -3.43 115.95 129.35 1sm7 h TRP 36 Ca -0.40 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.56 1sm7 h TRP 36 Cb 1.20 0.34 -0.12 0.00 -0.51 0.00 0.00 29.16 30.07 1sm7 h TRP 36 CO 0.68 -0.23 -0.01 0.41 -1.03 0.00 0.00 178.44 178.26 1sm7 n GLY 37 N -1.18 -1.54 0.03 2.65 0.00 -1.26 -4.94 105.19 98.94 1sm7 n GLY 37 Ca -0.02 0.90 -0.01 0.00 0.00 0.00 0.00 46.02 46.89 1sm7 n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm7 h PRO 38 N 2.72 -0.05 -0.00 1.61 0.13 -1.84 0.24 132.00 134.81 1sm7 h PRO 38 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1sm7 h PRO 38 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1sm7 h PRO 38 CO -0.09 -0.03 -0.00 1.04 -0.23 0.00 0.00 178.00 178.68 1sm7 n GLN 39 N -2.66 0.58 -0.05 0.86 6.02 -1.26 -1.11 117.38 119.76 1sm7 n GLN 39 Ca -0.01 -0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 56.96 1sm7 n GLN 39 Cb 0.02 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.66 1sm7 n GLN 39 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1sm7 n GLN 40 N -1.20 1.12 -2.93 -1.09 0.00 -1.26 -4.78 117.38 107.25 1sm7 n GLN 40 Ca 0.17 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.00 56.98 1sm7 n GLN 40 Cb 0.21 -1.39 0.02 0.00 0.00 0.00 0.00 30.24 29.08 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 1.87 2.33 0.23 1.69 0.00 0.83 -5.00 105.19 107.14 1sm7 n GLY 41 Ca -0.17 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 2.90 -0.50 -3.50 1.61 0.13 -1.10 -3.29 132.00 128.25 1sm7 h PRO 42 Ca -0.02 0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 64.44 1sm7 h PRO 42 Cb 1.08 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1sm7 h PRO 42 CO 0.38 -0.33 3.22 0.43 -0.23 0.00 0.00 178.00 181.47 1sm7 n SER 43 N -4.81 5.98 -0.05 1.44 7.64 -1.26 -4.71 113.62 117.84 1sm7 n SER 43 Ca -0.06 -2.80 -0.08 0.00 1.01 0.00 0.00 58.87 56.94 1sm7 n SER 43 Cb 0.20 -1.58 -0.02 0.00 -1.01 0.00 0.00 64.21 61.80 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 8.43 -0.27 -1.55 -3.43 3.38 -1.93 0.69 115.31 120.62 1sm7 h LEU 44 Ca 0.67 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.71 1sm7 h LEU 44 Cb 0.49 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1sm7 h LEU 44 CO 1.80 -0.10 0.24 0.03 0.09 0.00 0.00 178.44 180.50 1sm7 h ARG 45 N -0.03 0.00 0.00 1.13 2.47 -1.89 0.82 114.38 116.88 1sm7 h ARG 45 Ca 0.12 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.64 1sm7 h ARG 45 Cb 0.21 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.49 1sm7 h ARG 45 CO -0.26 0.00 -2.10 0.39 0.56 0.00 0.00 179.97 178.57 1sm7 n GLU 46 N -2.48 0.67 -0.11 0.04 1.02 0.66 -3.43 120.64 117.00 1sm7 n GLU 46 Ca -0.02 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 1sm7 n GLU 46 Cb 0.28 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.03 1sm7 n GLU 46 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sm7 n GLN 47 N -2.59 0.56 0.04 3.49 6.02 0.21 -3.28 117.38 121.84 1sm7 n GLN 47 Ca -0.19 0.53 -0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1sm7 n GLN 47 Cb 0.89 -1.71 -0.04 0.00 1.02 0.00 0.00 30.24 30.40 1sm7 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sm7 n ASN 50 N -1.64 0.31 -0.08 0.00 4.05 -0.47 -4.05 115.26 113.39 1sm7 n ASN 50 Ca -0.00 0.15 0.12 0.00 0.45 0.00 0.00 54.58 55.30 1sm7 n ASN 50 Cb 0.01 0.69 0.30 0.00 1.23 0.00 0.00 39.78 42.02 1sm7 n ASN 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1sm7 n GLU 51 N -2.82 0.27 -0.03 1.20 0.28 0.17 -3.50 120.64 116.23 1sm7 n GLU 51 Ca -0.25 -0.16 0.04 0.00 -0.16 0.00 0.00 57.16 56.63 1sm7 n GLU 51 Cb 1.07 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 32.30 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 -1.23 0.14 -1.26 -1.84 -0.00 0.14 -4.35 117.00 108.60 1sm7 n LEU 52 Ca 0.08 0.06 0.10 0.00 -0.00 0.00 0.00 56.01 56.24 1sm7 n LEU 52 Cb 0.34 0.15 0.29 0.00 -0.00 0.00 0.00 43.42 44.21 1sm7 n LEU 52 CO 0.32 0.15 0.75 0.00 -0.00 0.00 0.00 177.39 178.61 1sm7 n TYR 53 N -2.50 0.99 -0.01 1.47 4.19 -1.23 -4.08 117.16 116.00 1sm7 n TYR 53 Ca -0.13 -0.46 -0.18 0.00 3.31 0.00 0.00 57.90 60.44 1sm7 n TYR 53 Cb 0.77 -0.06 -0.14 0.00 0.49 0.00 0.00 39.34 40.40 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 1.27 0.72 -0.10 2.98 10.64 -1.23 -4.06 117.38 127.61 1sm7 n GLN 54 Ca 0.22 0.26 0.02 0.00 -1.83 0.00 0.00 57.00 55.67 1sm7 n GLN 54 Cb 0.62 -1.71 0.06 0.00 -0.86 0.00 0.00 30.24 28.35 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 -3.36 1.44 -0.10 2.61 1.02 -1.26 -5.01 120.64 115.98 1sm7 n GLU 55 Ca -0.29 -0.52 0.01 0.00 -0.02 0.00 0.00 57.16 56.34 1sm7 n GLU 55 Cb 1.05 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 31.20 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 -0.04 -1.59 0.11 1.62 2.03 -1.26 -3.58 116.55 113.86 1sm7 n ASP 56 Ca 0.05 0.11 -0.01 0.00 0.52 0.00 0.00 54.79 55.46 1sm7 n ASP 56 Cb 0.21 -0.30 -0.01 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.89 -2.83 115.11 117.22 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 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.62 1sm7 h GLN 57 CO 0.00 0.67 -0.02 0.28 -1.50 0.00 0.00 178.83 178.26 1sm7 h VAL 58 N 0.00 0.39 -0.49 -0.54 2.07 -1.89 -1.82 116.25 113.98 1sm7 h VAL 58 Ca -0.01 -0.11 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 1sm7 h VAL 58 Cb 1.50 1.08 -0.19 0.00 -1.52 0.00 0.00 31.29 32.15 1sm7 h VAL 58 CO 0.09 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.51 1sm7 n VAL 60 N -1.01 0.60 -3.62 0.00 0.31 -0.68 -4.57 118.33 109.36 1sm7 n VAL 60 Ca 0.38 -0.44 -0.05 0.00 -0.01 0.00 0.00 64.34 64.22 1sm7 n VAL 60 Cb 0.96 -0.46 -0.05 0.00 -0.91 0.00 0.00 33.84 33.38 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 0.71 0.50 -0.20 0.00 -0.04 -1.26 -4.53 135.00 130.18 1sm7 n PRO 62 Ca -0.04 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.67 1sm7 n PRO 62 Cb 0.58 -1.25 0.65 0.00 -0.04 0.00 0.00 33.50 33.44 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 0.02 0.60 0.01 0.52 2.02 -1.83 0.15 112.91 114.39 1sm7 h THR 63 Ca 0.00 -0.05 -0.20 0.00 0.77 0.00 0.00 66.41 66.93 1sm7 h THR 63 Cb 0.26 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1sm7 h THR 63 CO 0.00 0.03 -0.95 -0.07 0.37 0.00 0.00 175.52 174.90 1sm7 h LEU 64 N 0.14 0.08 -1.17 2.58 3.38 -1.80 -3.18 115.31 115.34 1sm7 h LEU 64 Ca 0.44 -0.08 0.25 0.00 0.09 0.00 0.00 57.88 58.58 1sm7 h LEU 64 Cb 1.50 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 42.12 1sm7 h LEU 64 CO -0.07 0.98 0.63 0.50 0.09 0.00 0.00 178.44 180.57 1sm7 h LYS 65 N 0.02 0.50 0.18 1.13 3.64 -1.01 0.48 116.57 121.51 1sm7 h LYS 65 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1sm7 h LYS 65 Cb 1.65 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1sm7 h LYS 65 CO 0.13 0.33 -0.09 0.37 -2.27 0.00 0.00 179.45 177.92 1sm7 h GLN 66 N 0.51 -0.23 -1.02 1.90 5.75 -1.50 0.21 115.11 120.73 1sm7 h GLN 66 Ca 0.62 0.02 0.26 0.00 -0.15 0.00 0.00 58.65 59.39 1sm7 h GLN 66 Cb 1.33 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 29.81 1sm7 h GLN 66 CO -0.38 0.15 0.62 0.00 -2.65 0.00 0.00 178.83 176.56 1sm7 h ALA 67 N -0.01 1.93 -0.07 3.38 0.00 -1.49 -0.04 119.26 122.97 1sm7 h ALA 67 Ca -0.02 0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1sm7 h ALA 67 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1sm7 h ALA 67 CO 0.04 -0.40 -0.82 0.00 0.00 0.00 0.00 179.25 178.07 1sm7 h ALA 68 N 1.71 0.43 -0.02 0.00 0.00 -0.83 -3.04 119.26 117.51 1sm7 h ALA 68 Ca 0.64 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sm7 h ALA 68 Cb 1.35 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1sm7 h ALA 68 CO -0.44 0.75 0.02 -0.22 0.00 0.00 0.00 179.25 179.36 1sm7 h LYS 69 N 0.34 0.00 -0.80 0.00 1.63 0.13 -0.22 116.57 117.65 1sm7 h LYS 69 Ca -0.06 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 1sm7 h LYS 69 Cb 1.43 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.96 1sm7 h LYS 69 CO 0.15 0.00 0.20 0.43 -3.45 0.00 0.00 179.45 176.78 1sm7 n SER 70 N -4.21 4.27 -0.00 4.20 7.64 -0.74 -4.09 113.62 120.69 1sm7 n SER 70 Ca -0.02 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1sm7 n SER 70 Cb 0.11 -0.69 -0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1sm7 n SER 70 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1sm7 n VAL 71 N -0.00 0.00 -3.85 0.44 0.31 -0.10 -5.02 118.33 110.11 1sm7 n VAL 71 Ca 0.31 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.79 1sm7 n VAL 71 Cb 1.16 1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 34.99 1sm7 n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 s ARG 72 N -0.90 4.05 -0.07 5.55 1.70 -1.20 -5.01 118.95 123.07 1sm7 s ARG 72 Ca 0.00 -0.30 -0.13 0.00 -0.47 0.00 0.00 55.73 54.83 1sm7 s ARG 72 Cb 0.00 -3.33 0.03 0.00 -0.57 0.00 0.00 34.95 31.07 1sm7 s ARG 72 CO 0.00 0.23 0.32 0.08 -1.08 0.00 0.00 175.30 174.86 1sm7 s VAL 73 N 0.52 0.03 0.64 4.99 1.01 -1.26 -5.04 120.40 121.28 1sm7 s VAL 73 Ca 0.05 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1sm7 s VAL 73 Cb -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1sm7 s VAL 73 CO 0.00 -0.14 1.00 -1.10 0.00 0.00 0.00 175.10 174.86 1sm7 s GLN 74 N -0.60 2.99 0.00 2.72 -0.21 -1.26 -4.62 119.66 118.68 1sm7 s GLN 74 Ca -0.07 0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.60 1sm7 s GLN 74 Cb -0.04 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.83 1sm7 s GLN 74 CO 0.02 -0.81 0.00 0.41 -2.12 0.00 0.00 175.29 172.79 1sm7 n GLY 75 N -2.77 -0.32 2.80 3.09 0.00 -1.26 -5.04 105.19 101.69 1sm7 n GLY 75 Ca 0.05 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1sm7 n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sm7 s GLN 76 N 0.00 0.89 -0.29 1.61 -0.21 -1.26 -5.06 119.66 115.33 1sm7 s GLN 76 Ca 0.00 -1.22 -0.12 0.00 0.02 0.00 0.00 55.36 54.04 1sm7 s GLN 76 Cb 0.00 -2.25 0.12 0.00 1.00 0.00 0.00 33.01 31.88 1sm7 s GLN 76 CO 0.00 -0.96 0.70 -1.58 -2.12 0.00 0.00 175.29 171.33 1sm7 s HIS 77 N 1.47 -1.19 0.15 0.91 2.46 -1.26 -5.07 115.29 112.76 1sm7 s HIS 77 Ca 0.09 2.15 -0.30 0.00 0.47 0.00 0.00 55.06 57.47 1sm7 s HIS 77 Cb -0.18 0.71 -0.08 0.00 -0.13 0.00 0.00 32.58 32.91 1sm7 s HIS 77 CO -0.21 -0.59 1.51 0.78 -2.47 0.00 0.00 174.74 173.77 1sm7 h GLY 78 N 7.60 -0.96 0.00 1.59 0.00 -2.04 -3.42 103.07 105.83 1sm7 h GLY 78 Ca -0.22 0.80 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1sm7 h GLY 78 CO 0.12 -0.04 0.00 -1.55 0.00 0.00 0.00 176.54 175.07 1sm7 n PRO 79 N -5.16 -0.30 -3.92 4.80 -0.04 -1.26 -5.08 135.00 124.04 1sm7 n PRO 79 Ca 0.01 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1sm7 n PRO 79 Cb 0.26 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.68 1sm7 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1sm7 s PHE 80 N -0.77 3.51 -0.56 0.54 0.40 -1.26 -4.97 117.98 114.86 1sm7 s PHE 80 Ca 0.00 0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.56 1sm7 s PHE 80 Cb 0.00 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 1sm7 s PHE 80 CO 0.00 0.60 1.68 0.00 0.70 0.00 0.00 175.22 178.20 1sm7 n GLN 81 N 0.41 1.28 0.00 0.44 -0.00 -1.26 -1.83 117.38 116.42 1sm7 n GLN 81 Ca -0.06 -1.09 0.00 0.00 -0.00 0.00 0.00 57.00 55.85 1sm7 n GLN 81 Cb 0.51 -2.28 0.00 0.00 -0.00 0.00 0.00 30.24 28.47 1sm7 n GLN 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1sm7 n SER 82 N 4.53 0.00 0.07 2.61 2.88 -1.26 -4.59 113.62 117.85 1sm7 n SER 82 Ca 0.28 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.76 1sm7 n SER 82 Cb 0.08 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.44 1sm7 n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sm7 h THR 83 N 0.00 1.60 0.06 2.46 1.03 -1.75 -3.00 112.91 113.30 1sm7 h THR 83 Ca 0.00 -3.27 -0.29 0.00 -0.01 0.00 0.00 66.41 62.84 1sm7 h THR 83 Cb 0.00 2.79 -0.02 0.00 -1.07 0.00 0.00 68.15 69.85 1sm7 h THR 83 CO 0.00 0.91 -1.57 -0.09 -0.01 0.00 0.00 175.52 174.76 1sm7 h ARG 84 N 0.00 0.13 -0.27 0.00 9.65 -1.75 -2.90 114.38 119.25 1sm7 h ARG 84 Ca -0.02 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 58.67 1sm7 h ARG 84 Cb 1.74 0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 30.36 1sm7 h ARG 84 CO 0.12 1.11 0.02 0.82 2.80 0.00 0.00 179.97 184.84 1sm7 h ILE 85 N -0.49 0.83 -0.28 1.20 1.08 -1.74 -1.07 117.51 117.04 1sm7 h ILE 85 Ca -0.37 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.01 1sm7 h ILE 85 Cb 1.65 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1sm7 h ILE 85 CO -0.06 0.02 -0.03 1.88 -0.69 0.00 0.00 178.15 179.27 1sm7 h TYR 86 N 0.11 0.56 -0.05 1.37 -1.99 -1.70 -0.26 116.97 115.00 1sm7 h TYR 86 Ca 0.13 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 60.76 1sm7 h TYR 86 Cb 0.15 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 1sm7 h TYR 86 CO -0.19 0.69 0.18 1.96 -0.00 0.00 0.00 178.16 180.80 1sm7 h GLN 87 N 0.28 0.00 0.00 4.88 4.20 -1.22 0.85 115.11 124.09 1sm7 h GLN 87 Ca 0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1sm7 h GLN 87 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1sm7 h GLN 87 CO 0.02 0.00 -0.52 0.82 -0.67 0.00 0.00 178.83 178.49 1sm7 h ILE 88 N 0.00 0.70 0.00 2.54 2.04 -0.68 -3.35 117.51 118.76 1sm7 h ILE 88 Ca 0.02 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.21 1sm7 h ILE 88 Cb 0.38 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1sm7 h ILE 88 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1sm7 n ALA 89 N -3.15 1.81 0.03 1.87 0.00 -0.16 -1.87 120.51 119.04 1sm7 n ALA 89 Ca -0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1sm7 n ALA 89 Cb 0.39 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 0.52 -0.32 0.00 3.11 0.58 -3.08 116.57 117.39 1sm7 h LYS 90 Ca 0.00 -0.44 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 1sm7 h LYS 90 Cb 0.06 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1sm7 h LYS 90 CO 0.00 1.07 0.00 0.27 -2.81 0.00 0.00 179.45 177.98 1sm7 n ASN 91 N -3.86 2.43 0.08 4.20 0.23 -0.78 -4.18 115.26 113.39 1sm7 n ASN 91 Ca -0.06 -1.87 -0.04 0.00 -0.53 0.00 0.00 54.58 52.08 1sm7 n ASN 91 Cb 0.74 -0.21 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 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 3.03 -0.24 0.00 -4.53 3.38 -1.47 -2.96 115.31 112.52 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 0.67 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1sm7 h LEU 92 CO 0.00 0.11 0.00 -0.81 0.09 0.00 0.00 178.44 177.83 1sm7 n PRO 93 N -4.27 0.52 0.02 1.13 -0.04 -1.26 -1.15 135.00 129.95 1sm7 n PRO 93 Ca -0.03 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1sm7 n PRO 93 Cb 0.11 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.30 0.00 3.54 2.35 -1.72 -2.88 115.58 117.17 1sm7 h ASN 94 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1sm7 h ASN 94 Cb 0.02 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1sm7 h ASN 94 CO 0.00 1.47 -1.12 0.52 -1.65 0.00 0.00 177.43 176.65 1sm7 n VAL 95 N -3.36 0.00 -2.16 2.81 0.31 -1.00 -4.23 118.33 110.70 1sm7 n VAL 95 Ca -0.22 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 63.93 1sm7 n VAL 95 Cb 1.05 0.86 0.06 0.00 -0.91 0.00 0.00 33.84 34.91 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 -0.66 -0.11 -0.05 0.00 3.02 -1.09 -4.72 115.26 111.65 1sm7 n ASN 97 Ca 0.28 -0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.83 1sm7 n ASN 97 Cb 0.89 -0.10 0.05 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.97 1.99 -3.37 3.52 0.00 -1.26 -4.86 117.12 114.11 1sm7 n MET 98 Ca 0.10 -1.76 -0.15 0.00 0.00 0.00 0.00 57.70 55.88 1sm7 n MET 98 Cb 0.01 -1.10 -0.08 0.00 0.00 0.00 0.00 33.22 32.05 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 -1.51 0.45 -0.69 3.17 2.20 -1.26 -4.58 119.74 117.51 1sm7 s LYS 99 Ca 0.11 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1sm7 s LYS 99 Cb 0.10 -0.61 0.36 0.00 -1.51 0.00 0.00 37.83 36.17 1sm7 s LYS 99 CO 0.01 -1.09 2.09 0.94 -0.36 0.00 0.00 175.35 176.95 1sm7 n GLN 100 N 4.97 2.61 0.11 4.03 0.00 -1.26 -4.48 117.38 123.36 1sm7 n GLN 100 Ca 0.03 -3.15 0.00 0.00 -0.00 0.00 0.00 57.00 53.88 1sm7 n GLN 100 Cb 0.47 -2.21 0.00 0.00 0.00 0.00 0.00 30.24 28.49 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 -0.53 0.34 0.00 1.69 3.06 -1.26 -5.12 119.36 117.54 1sm7 n ILE 101 Ca 0.56 0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.92 1sm7 n ILE 101 Cb 0.49 -0.79 0.00 0.00 0.54 0.00 0.00 39.64 39.88 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 2.09 0.81 0.17 4.50 0.00 -1.26 -5.10 105.19 106.39 1sm7 n GLY 102 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 1sm7 n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sm7 n THR 103 N 0.00 1.47 -3.31 2.61 -1.04 -1.26 -4.74 114.28 108.01 1sm7 n THR 103 Ca 0.00 -0.22 -0.25 0.00 -2.04 0.00 0.00 64.05 61.53 1sm7 n THR 103 Cb 0.00 -1.99 -0.08 0.00 -1.82 0.00 0.00 70.33 66.44 1sm7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sm7 n PRO 105 N 1.20 2.18 0.00 0.00 -0.04 -1.26 -4.48 135.00 132.60 1sm7 n PRO 105 Ca 0.25 -1.30 0.08 0.00 -0.04 0.00 0.00 63.50 62.50 1sm7 n PRO 105 Cb 0.47 -2.26 0.50 0.00 -0.04 0.00 0.00 33.50 32.17 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 3.34 0.00 -1.67 0.54 1.16 -1.26 -4.90 117.46 114.67 1sm7 n PHE 106 Ca 0.47 0.00 -0.48 0.00 -1.87 0.00 0.00 57.45 55.56 1sm7 n PHE 106 Cb 0.41 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.23 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 -0.78 0.29 0.00 1.97 -5.35 -1.26 -4.11 119.36 110.11 1sm7 n ILE 107 Ca 0.13 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1sm7 n ILE 107 Cb 0.06 -1.61 0.00 0.00 -1.74 0.00 0.00 39.64 36.35 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 4.96 0.00 0.00 -1.28 0.00 -1.26 -5.22 120.51 117.70 1sm7 n ALA 108 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1sm7 n ALA 108 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1sm7 n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61