#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 1.16 -0.32 -1.09 -0.04 -1.26 -4.56 135.00 128.89 1sm7 n PRO 2 Ca 0.00 0.00 0.36 0.00 -0.04 0.00 0.00 63.50 63.82 1sm7 n PRO 2 Cb 0.00 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.17 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 -1.58 0.54 5.75 -1.99 0.34 115.11 118.17 1sm7 h GLN 3 Ca 0.00 0.00 0.47 0.00 -0.15 0.00 0.00 58.65 58.97 1sm7 h GLN 3 Cb 0.00 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 1sm7 h GLN 3 CO 0.00 0.00 1.10 -0.22 -2.65 0.00 0.00 178.83 177.06 1sm7 h LYS 4 N 0.00 0.04 -0.03 1.69 3.11 -1.96 0.39 116.57 119.81 1sm7 h LYS 4 Ca 0.57 -0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.44 1sm7 h LYS 4 Cb 2.52 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 33.71 1sm7 h LYS 4 CO -0.01 0.02 -0.17 0.00 -2.81 0.00 0.00 179.45 176.49 1sm7 h GLN 6 N -0.26 0.07 -0.15 0.00 1.08 -0.41 0.60 115.11 116.03 1sm7 h GLN 6 Ca 0.06 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1sm7 h GLN 6 Cb 0.35 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1sm7 h GLN 6 CO -0.18 0.04 0.08 0.00 -0.95 0.00 0.00 178.83 177.82 1sm7 h ARG 7 N 0.07 0.21 -0.06 1.46 3.08 -1.51 -1.27 114.38 116.37 1sm7 h ARG 7 Ca 0.51 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.56 1sm7 h ARG 7 Cb 0.99 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1sm7 h ARG 7 CO -0.80 0.22 0.06 0.93 -1.07 0.00 0.00 179.97 179.31 1sm7 h GLU 8 N 0.14 0.00 0.05 0.04 4.39 0.34 0.60 114.58 120.14 1sm7 h GLU 8 Ca 0.05 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.51 1sm7 h GLU 8 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1sm7 h GLU 8 CO -0.01 0.00 -1.05 0.35 -1.16 0.00 0.00 179.01 177.14 1sm7 h PHE 9 N 0.00 0.56 -0.01 4.33 3.04 0.41 -3.21 116.94 122.06 1sm7 h PHE 9 Ca 0.03 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1sm7 h PHE 9 Cb 0.14 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1sm7 h PHE 9 CO 0.00 1.20 -0.70 0.94 -2.02 0.00 0.00 178.31 177.72 1sm7 n GLN 10 N -3.67 0.71 0.08 1.11 7.27 -0.52 -1.42 117.38 120.94 1sm7 n GLN 10 Ca -0.07 -0.55 -0.12 0.00 0.07 0.00 0.00 57.00 56.33 1sm7 n GLN 10 Cb 0.90 -1.48 -0.05 0.00 2.41 0.00 0.00 30.24 32.02 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 1.35 -0.28 0.00 3.69 -0.00 0.20 -3.42 115.11 116.64 1sm7 h GLN 11 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1sm7 h GLN 11 Cb 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 1sm7 h GLN 11 CO 0.00 -0.19 -0.02 -0.85 0.00 0.00 0.00 178.83 177.77 1sm7 n GLU 12 N -5.28 0.00 -2.69 1.69 0.28 -1.26 -5.01 120.64 108.36 1sm7 n GLU 12 Ca -0.06 -0.06 -0.07 0.00 -0.16 0.00 0.00 57.16 56.80 1sm7 n GLU 12 Cb 0.20 0.49 0.09 0.00 1.43 0.00 0.00 31.44 33.65 1sm7 n GLU 12 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1sm7 n GLN 13 N 0.00 1.20 0.00 3.44 7.27 -1.23 -5.12 117.38 122.93 1sm7 n GLN 13 Ca -0.02 -2.34 0.00 0.00 0.07 0.00 0.00 57.00 54.71 1sm7 n GLN 13 Cb 0.28 -0.48 0.00 0.00 2.41 0.00 0.00 30.24 32.44 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 -0.44 -0.12 -4.58 3.69 8.25 -0.51 -4.72 115.22 116.79 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 0.84 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.84 1sm7 n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sm7 s LEU 15 N 0.00 2.79 0.00 2.41 1.43 -1.26 -5.05 118.68 119.00 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 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1sm7 s LEU 15 CO 0.00 -0.34 0.00 0.54 0.23 0.00 0.00 176.35 176.78 1sm7 n ARG 16 N -0.88 0.00 -0.33 1.70 1.74 -1.26 -4.72 116.66 112.91 1sm7 n ARG 16 Ca -0.05 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1sm7 n ARG 16 Cb 0.65 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.14 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 -1.69 -0.08 0.11 7.54 0.00 -1.26 0.19 120.51 125.32 1sm7 n ALA 17 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 53.44 54.16 1sm7 n ALA 17 Cb 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 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 1.13 0.00 0.00 -0.00 0.92 -4.01 117.38 109.95 1sm7 n GLN 19 Ca -0.07 -0.30 0.00 0.00 -0.00 0.00 0.00 57.00 56.62 1sm7 n GLN 19 Cb 0.39 -1.12 0.00 0.00 -0.00 0.00 0.00 30.24 29.51 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 0.52 0.00 -0.09 2.61 1.13 0.13 -4.72 117.38 116.96 1sm7 n GLN 20 Ca 0.06 0.00 0.20 0.00 -1.94 0.00 0.00 57.00 55.32 1sm7 n GLN 20 Cb 0.60 -0.09 0.63 0.00 0.11 0.00 0.00 30.24 31.49 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 0.18 -0.39 1.08 5.08 -0.06 0.31 115.95 122.14 1sm7 h TRP 21 Ca 0.00 0.01 0.11 0.00 1.08 0.00 0.00 58.89 60.09 1sm7 h TRP 21 Cb 0.00 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.09 1sm7 h TRP 21 CO 0.00 0.06 0.28 0.82 -1.28 0.00 0.00 178.44 178.33 1sm7 h ILE 22 N 0.15 0.80 -0.10 0.12 2.04 -1.77 0.16 117.51 118.91 1sm7 h ILE 22 Ca 0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.18 1sm7 h ILE 22 Cb 1.07 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1sm7 h ILE 22 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.64 1sm7 n ARG 23 N -4.42 1.95 -0.03 2.37 3.00 0.93 -4.64 116.66 115.82 1sm7 n ARG 23 Ca 0.06 -2.61 0.01 0.00 -0.01 0.00 0.00 57.85 55.30 1sm7 n ARG 23 Cb 0.47 -1.59 -0.09 0.00 0.00 0.00 0.00 32.46 31.25 1sm7 n ARG 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1sm7 n GLN 24 N -1.04 1.09 0.02 5.56 -0.06 0.52 -4.13 117.38 119.34 1sm7 n GLN 24 Ca 0.17 -0.07 0.05 0.00 -2.00 0.00 0.00 57.00 55.15 1sm7 n GLN 24 Cb 0.71 -1.29 0.21 0.00 -4.06 0.00 0.00 30.24 25.81 1sm7 n GLN 24 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1sm7 n GLN 25 N -2.12 0.03 -2.66 3.69 0.00 -0.84 -4.31 117.38 111.16 1sm7 n GLN 25 Ca -0.09 0.40 -0.11 0.00 -0.00 0.00 0.00 57.00 57.21 1sm7 n GLN 25 Cb 0.54 -1.56 -0.01 0.00 0.00 0.00 0.00 30.24 29.20 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 -1.61 0.00 0.01 1.69 4.32 -1.26 -4.90 117.00 115.24 1sm7 n LEU 26 Ca 0.01 -1.10 0.12 0.00 -0.02 0.00 0.00 56.01 55.02 1sm7 n LEU 26 Cb 0.09 0.06 0.14 0.00 -1.62 0.00 0.00 43.42 42.08 1sm7 n LEU 26 CO 0.08 -0.27 0.27 0.00 -1.22 0.00 0.00 177.39 176.25 1sm7 n ALA 27 N -2.50 3.67 -2.61 -1.18 0.00 -1.26 -4.88 120.51 111.75 1sm7 n ALA 27 Ca -0.07 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.60 1sm7 n ALA 27 Cb 0.23 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1sm7 n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1sm7 s GLY 28 N -3.19 2.38 0.00 0.00 0.00 -1.26 -4.69 107.32 100.56 1sm7 s GLY 28 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1sm7 s GLY 28 CO 0.75 0.13 0.00 -1.26 0.00 0.00 0.00 173.10 172.72 1sm7 n SER 29 N 2.20 0.00 -4.83 1.64 2.88 -1.26 -4.50 113.62 109.75 1sm7 n SER 29 Ca -0.14 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.08 1sm7 n SER 29 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1sm7 n SER 29 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1sm7 s PRO 30 N 0.00 3.39 -0.03 -1.46 0.04 -1.26 -4.99 135.00 130.68 1sm7 s PRO 30 Ca 0.00 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.09 1sm7 s PRO 30 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1sm7 s PRO 30 CO 0.00 -0.74 0.02 1.19 0.04 0.00 0.00 177.00 177.51 1sm7 n PHE 31 N -2.34 0.00 -1.58 0.56 3.72 -1.26 -4.76 117.46 111.80 1sm7 n PHE 31 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1sm7 n PHE 31 Cb 0.53 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1sm7 n PHE 31 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sm7 n SER 32 N -2.10 0.00 0.00 4.37 3.41 -1.26 -5.11 113.62 112.93 1sm7 n SER 32 Ca -0.05 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1sm7 n SER 32 Cb 0.58 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1sm7 n SER 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sm7 n GLU 33 N 0.00 0.00 -4.37 4.33 2.13 -1.26 -5.19 120.64 116.28 1sm7 n GLU 33 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 1sm7 n GLU 33 Cb 0.58 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.19 1sm7 n GLU 33 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1sm7 s ASN 34 N 1.33 1.66 0.75 4.31 2.20 -1.26 -4.72 114.94 119.20 1sm7 s ASN 34 Ca 0.00 -1.42 -0.17 0.00 -0.94 0.00 0.00 52.86 50.33 1sm7 s ASN 34 Cb 0.00 0.14 -0.15 0.00 -2.00 0.00 0.00 41.25 39.24 1sm7 s ASN 34 CO 0.00 -0.72 -0.48 0.00 -2.94 0.00 0.00 177.10 172.96 1sm7 n GLN 35 N -0.57 0.00 -0.12 3.55 0.00 -1.26 -4.73 117.38 114.26 1sm7 n GLN 35 Ca -0.01 0.00 0.27 0.00 0.00 0.00 0.00 57.00 57.26 1sm7 n GLN 35 Cb 0.66 -0.97 0.66 0.00 0.00 0.00 0.00 30.24 30.60 1sm7 n GLN 35 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1sm7 h TRP 36 N -0.52 0.00 0.00 2.61 4.06 -1.99 -3.43 115.95 116.68 1sm7 h TRP 36 Ca -0.41 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.54 1sm7 h TRP 36 Cb 1.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.49 1sm7 h TRP 36 CO 0.21 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.50 1sm7 n GLY 37 N -1.63 0.04 3.56 1.49 0.00 -1.26 -5.09 105.19 102.30 1sm7 n GLY 37 Ca 0.17 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 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 2.94 0.14 1.61 0.04 -1.26 -4.88 135.00 133.59 1sm7 s PRO 38 Ca 0.00 0.36 -0.30 0.00 0.04 0.00 0.00 61.00 61.10 1sm7 s PRO 38 Cb 0.00 -4.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.20 1sm7 s PRO 38 CO 0.00 -2.39 1.56 0.37 0.04 0.00 0.00 177.00 176.58 1sm7 h GLN 39 N 12.74 -0.36 0.00 4.56 4.15 -1.92 0.36 115.11 134.64 1sm7 h GLN 39 Ca -0.27 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.15 1sm7 h GLN 39 Cb 1.12 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1sm7 h GLN 39 CO 1.22 -0.24 -0.13 1.96 -1.93 0.00 0.00 178.83 179.71 1sm7 h GLN 40 N -0.38 0.00 -5.62 1.69 4.20 -1.90 -3.43 115.11 109.67 1sm7 h GLN 40 Ca 0.10 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.52 1sm7 h GLN 40 Cb 0.60 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.55 1sm7 h GLN 40 CO -0.58 0.13 -0.88 0.41 -0.67 0.00 0.00 178.83 177.24 1sm7 n GLY 41 N -0.92 -1.11 0.06 3.46 0.00 0.13 -4.18 105.19 102.63 1sm7 n GLY 41 Ca -0.02 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.27 -0.01 -3.93 1.61 0.13 -1.91 -3.36 132.00 123.25 1sm7 h PRO 42 Ca -0.62 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.86 1sm7 h PRO 42 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1sm7 h PRO 42 CO 0.45 0.63 2.95 0.43 -0.23 0.00 0.00 178.00 182.23 1sm7 n SER 43 N -4.78 4.30 0.00 1.44 7.64 -1.26 -3.50 113.62 117.45 1sm7 n SER 43 Ca -0.09 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.09 1sm7 n SER 43 Cb 0.32 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 5.94 0.00 0.01 -3.43 4.77 -1.26 -4.68 117.00 118.34 1sm7 n LEU 44 Ca 0.54 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1sm7 n LEU 44 Cb 0.34 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1sm7 n LEU 44 CO 0.91 -0.00 0.86 0.03 -1.33 0.00 0.00 177.39 177.87 1sm7 h ARG 45 N 0.00 0.09 -0.33 3.23 2.47 -1.84 0.81 114.38 118.81 1sm7 h ARG 45 Ca 0.00 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1sm7 h ARG 45 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1sm7 h ARG 45 CO 0.00 0.12 -0.08 0.93 0.56 0.00 0.00 179.97 181.50 1sm7 h GLU 46 N 0.03 0.55 -0.04 0.04 5.08 -1.90 0.37 114.58 118.71 1sm7 h GLU 46 Ca 0.02 -0.15 -0.22 0.00 -1.00 0.00 0.00 59.36 58.01 1sm7 h GLU 46 Cb 0.06 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1sm7 h GLU 46 CO -0.00 0.63 -0.88 1.96 -1.00 0.00 0.00 179.01 179.72 1sm7 h GLN 47 N 0.51 0.53 -0.11 2.33 4.20 -1.76 -2.92 115.11 117.90 1sm7 h GLN 47 Ca 0.10 -0.51 -0.16 0.00 0.06 0.00 0.00 58.65 58.14 1sm7 h GLN 47 Cb 0.45 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1sm7 h GLN 47 CO 0.02 1.14 -0.61 0.00 -0.67 0.00 0.00 178.83 178.72 1sm7 n ASN 50 N -1.01 3.56 0.21 0.00 4.05 -0.74 -4.23 115.26 117.10 1sm7 n ASN 50 Ca 0.14 -0.01 0.15 0.00 0.45 0.00 0.00 54.58 55.31 1sm7 n ASN 50 Cb 0.07 -0.03 0.52 0.00 1.23 0.00 0.00 39.78 41.57 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1sm7 h GLU 51 N -0.01 0.00 0.00 1.20 4.11 0.51 -1.81 114.58 118.58 1sm7 h GLU 51 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1sm7 h GLU 51 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1sm7 h GLU 51 CO -0.01 0.00 -1.81 1.47 0.07 0.00 0.00 179.01 178.73 1sm7 n LEU 52 N -2.78 0.16 -1.37 3.06 -0.00 -0.39 -4.31 117.00 111.38 1sm7 n LEU 52 Ca 0.02 -0.02 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 1sm7 n LEU 52 Cb 0.33 -0.01 0.32 0.00 -0.00 0.00 0.00 43.42 44.06 1sm7 n LEU 52 CO 0.27 0.01 0.78 0.00 -0.00 0.00 0.00 177.39 178.44 1sm7 n TYR 53 N -2.22 1.19 -0.08 1.47 4.19 -0.93 -4.15 117.16 116.64 1sm7 n TYR 53 Ca -0.03 -0.59 -0.11 0.00 3.31 0.00 0.00 57.90 60.48 1sm7 n TYR 53 Cb 0.54 -0.16 -0.15 0.00 0.49 0.00 0.00 39.34 40.07 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 1.08 0.68 -0.12 2.98 10.64 -0.73 -4.18 117.38 127.73 1sm7 n GLN 54 Ca 0.23 0.09 0.01 0.00 -1.83 0.00 0.00 57.00 55.51 1sm7 n GLN 54 Cb 0.76 -1.59 0.06 0.00 -0.86 0.00 0.00 30.24 28.62 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 -2.92 1.53 -0.01 2.61 1.02 -1.26 -5.01 120.64 116.60 1sm7 n GLU 55 Ca -0.32 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 1sm7 n GLU 55 Cb 1.11 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 31.09 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 0.02 -0.14 0.09 1.62 -0.08 -1.26 -3.54 116.55 113.25 1sm7 n ASP 56 Ca 0.05 0.01 0.01 0.00 -1.51 0.00 0.00 54.79 53.34 1sm7 n ASP 56 Cb 0.30 -0.02 -0.03 0.00 2.34 0.00 0.00 41.12 43.72 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 -1.89 -3.25 115.11 116.79 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 0.41 0.00 0.28 -1.50 0.00 0.00 178.83 178.02 1sm7 n VAL 58 N -3.07 0.78 -1.20 -0.54 0.31 -1.26 -1.66 118.33 111.69 1sm7 n VAL 58 Ca -0.03 0.19 0.05 0.00 -0.01 0.00 0.00 64.34 64.53 1sm7 n VAL 58 Cb 0.79 -0.90 0.21 0.00 -0.91 0.00 0.00 33.84 33.03 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 -0.95 0.00 -3.64 0.00 0.31 -0.66 -4.35 118.33 109.05 1sm7 n VAL 60 Ca 0.24 -0.38 -0.03 0.00 -0.01 0.00 0.00 64.34 64.16 1sm7 n VAL 60 Cb 0.87 0.16 -0.05 0.00 -0.91 0.00 0.00 33.84 33.91 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 0.67 0.48 -0.33 0.00 -0.04 -1.26 -4.34 135.00 130.17 1sm7 n PRO 62 Ca -0.02 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.62 1sm7 n PRO 62 Cb 0.59 -1.12 0.39 0.00 -0.04 0.00 0.00 33.50 33.31 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 0.40 0.00 0.52 2.02 -1.83 0.44 112.91 114.46 1sm7 h THR 63 Ca 0.00 -0.13 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 1sm7 h THR 63 Cb 0.12 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1sm7 h THR 63 CO 0.00 0.07 -0.82 -0.07 0.37 0.00 0.00 175.52 175.07 1sm7 h LEU 64 N 0.39 0.00 -1.90 2.58 3.38 -1.75 -2.83 115.31 115.18 1sm7 h LEU 64 Ca 0.65 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.65 1sm7 h LEU 64 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1sm7 h LEU 64 CO -0.56 0.82 0.40 0.50 0.09 0.00 0.00 178.44 179.69 1sm7 h LYS 65 N 0.00 0.00 0.00 1.13 3.64 -0.41 0.13 116.57 121.07 1sm7 h LYS 65 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1sm7 h LYS 65 Cb 1.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1sm7 h LYS 65 CO 0.11 0.00 -0.36 0.37 -2.27 0.00 0.00 179.45 177.30 1sm7 h GLN 66 N 0.00 0.00 0.00 1.90 4.15 -1.19 -2.26 115.11 117.71 1sm7 h GLN 66 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1sm7 h GLN 66 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1sm7 h GLN 66 CO -0.00 0.78 0.00 0.00 -1.93 0.00 0.00 178.83 177.68 1sm7 n ALA 67 N -2.92 1.28 -0.11 3.38 0.00 -0.78 -1.93 120.51 119.44 1sm7 n ALA 67 Ca -0.14 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1sm7 n ALA 67 Cb 0.44 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.51 1.03 0.28 0.00 0.00 0.40 -1.05 120.51 119.66 1sm7 n ALA 68 Ca 0.01 -0.81 0.10 0.00 0.00 0.00 0.00 53.44 52.75 1sm7 n ALA 68 Cb 0.07 -0.26 0.47 0.00 0.00 0.00 0.00 19.45 19.73 1sm7 n ALA 68 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sm7 n LYS 69 N -4.09 0.14 0.00 0.00 2.85 -0.85 -1.60 118.16 114.61 1sm7 n LYS 69 Ca -0.42 0.50 0.02 0.00 -1.05 0.00 0.00 58.31 57.35 1sm7 n LYS 69 Cb 0.85 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 1sm7 n LYS 69 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1sm7 n SER 70 N -2.12 0.87 -0.35 -5.58 2.88 -0.81 -4.73 113.62 103.78 1sm7 n SER 70 Ca 0.01 -0.94 0.11 0.00 -1.33 0.00 0.00 58.87 56.72 1sm7 n SER 70 Cb 0.13 0.36 0.23 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.43 0.00 -3.96 2.46 3.04 -0.09 -3.40 116.25 114.73 1sm7 h VAL 71 Ca 0.00 -0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 65.42 1sm7 h VAL 71 Cb 0.12 0.00 -0.22 0.00 -2.01 0.00 0.00 31.29 29.18 1sm7 h VAL 71 CO 0.00 0.00 -0.73 -0.13 -1.01 0.00 0.00 177.57 175.70 1sm7 s ARG 72 N -6.12 0.49 -0.48 4.17 3.00 -1.26 -4.82 118.95 113.94 1sm7 s ARG 72 Ca -0.14 -0.69 0.06 0.00 0.00 0.00 0.00 55.73 54.96 1sm7 s ARG 72 Cb 0.28 -0.26 0.27 0.00 0.00 0.00 0.00 34.95 35.24 1sm7 s ARG 72 CO 0.78 0.05 0.98 0.28 0.00 0.00 0.00 175.30 177.38 1sm7 n VAL 73 N 1.61 0.00 0.00 3.52 0.31 -1.26 -5.01 118.33 117.50 1sm7 n VAL 73 Ca -0.22 -1.50 0.00 0.00 -0.01 0.00 0.00 64.34 62.61 1sm7 n VAL 73 Cb 0.55 1.50 0.00 0.00 -0.91 0.00 0.00 33.84 34.98 1sm7 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sm7 n GLN 74 N 1.18 -1.40 0.00 5.55 1.13 -1.26 -5.19 117.38 117.39 1sm7 n GLN 74 Ca 0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 1sm7 n GLN 74 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.01 1sm7 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sm7 n GLY 75 N -0.97 0.45 3.52 1.08 0.00 -1.26 -4.76 105.19 103.26 1sm7 n GLY 75 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 1sm7 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sm7 n GLN 76 N 0.75 0.73 -3.61 1.61 10.64 -1.26 -4.80 117.38 121.44 1sm7 n GLN 76 Ca 0.00 -1.89 -0.38 0.00 -1.83 0.00 0.00 57.00 52.90 1sm7 n GLN 76 Cb 0.00 -3.59 -0.06 0.00 -0.86 0.00 0.00 30.24 25.73 1sm7 n GLN 76 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1sm7 s HIS 77 N 12.75 3.82 0.10 2.61 3.76 -1.26 -4.95 115.29 132.12 1sm7 s HIS 77 Ca 0.73 -2.87 -0.19 0.00 -0.15 0.00 0.00 55.06 52.58 1sm7 s HIS 77 Cb 0.01 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 1sm7 s HIS 77 CO 0.19 -0.79 1.24 0.41 -0.85 0.00 0.00 174.74 174.93 1sm7 n GLY 78 N 2.70 -2.52 0.00 -2.22 0.00 -1.26 -4.58 105.19 97.30 1sm7 n GLY 78 Ca 0.18 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.10 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 -4.39 0.14 -2.81 1.61 -0.04 -1.26 -4.99 135.00 123.26 1sm7 n PRO 79 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1sm7 n PRO 79 Cb 0.16 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.58 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 -0.57 3.35 0.33 0.54 0.40 -1.26 -4.91 117.98 115.86 1sm7 s PHE 80 Ca 0.00 1.28 0.22 0.00 -0.60 0.00 0.00 56.93 57.83 1sm7 s PHE 80 Cb 0.00 -3.12 1.17 0.00 0.51 0.00 0.00 43.02 41.58 1sm7 s PHE 80 CO 0.00 -0.39 1.30 0.00 0.70 0.00 0.00 175.22 176.83 1sm7 n GLN 81 N 5.93 -0.04 -0.28 0.44 -0.00 -1.26 0.47 117.38 122.64 1sm7 n GLN 81 Ca 0.07 1.09 0.10 0.00 -0.00 0.00 0.00 57.00 58.27 1sm7 n GLN 81 Cb 0.47 -2.05 0.25 0.00 -0.00 0.00 0.00 30.24 28.91 1sm7 n GLN 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1sm7 h SER 82 N 0.00 0.02 -1.55 2.61 0.87 -1.93 0.69 113.55 114.25 1sm7 h SER 82 Ca 0.71 0.18 0.51 0.00 -1.23 0.00 0.00 61.79 61.96 1sm7 h SER 82 Cb 2.08 0.23 -0.12 0.00 -0.44 0.00 0.00 62.40 64.15 1sm7 h SER 82 CO -0.52 -0.10 1.04 0.35 -0.53 0.00 0.00 176.83 177.07 1sm7 n THR 83 N -5.19 -0.18 -0.05 2.23 -2.24 0.18 0.10 114.28 109.13 1sm7 n THR 83 Ca 0.19 1.72 -0.10 0.00 -2.27 0.00 0.00 64.05 63.59 1sm7 n THR 83 Cb 0.59 -2.83 -0.04 0.00 -2.10 0.00 0.00 70.33 65.95 1sm7 n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1sm7 n ARG 84 N -4.50 0.24 0.01 -0.78 3.00 0.26 -4.15 116.66 110.75 1sm7 n ARG 84 Ca 0.42 0.09 -0.13 0.00 -0.00 0.00 0.00 57.85 58.22 1sm7 n ARG 84 Cb 1.70 -1.01 -0.07 0.00 0.00 0.00 0.00 32.46 33.08 1sm7 n ARG 84 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1sm7 h ILE 85 N -0.24 0.11 -0.39 5.15 1.08 0.85 0.15 117.51 124.23 1sm7 h ILE 85 Ca -0.26 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.07 1sm7 h ILE 85 Cb 1.29 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 1sm7 h ILE 85 CO -0.12 0.00 -0.33 1.88 -0.69 0.00 0.00 178.15 178.90 1sm7 h TYR 86 N -0.54 1.07 0.00 1.37 -1.99 -0.52 0.44 116.97 116.80 1sm7 h TYR 86 Ca 0.06 -0.31 0.00 0.00 2.00 0.00 0.00 58.73 60.48 1sm7 h TYR 86 Cb 0.65 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1sm7 h TYR 86 CO -0.49 1.12 0.14 1.96 -0.00 0.00 0.00 178.16 180.89 1sm7 h GLN 87 N 0.72 0.00 0.00 4.88 1.08 -1.00 0.63 115.11 121.42 1sm7 h GLN 87 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1sm7 h GLN 87 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1sm7 h GLN 87 CO 0.08 0.00 -1.36 -0.89 -0.95 0.00 0.00 178.83 175.71 1sm7 n ILE 88 N -2.85 0.00 0.87 2.54 5.41 0.46 -4.45 119.36 121.35 1sm7 n ILE 88 Ca -0.02 -0.21 0.12 0.00 1.00 0.00 0.00 62.75 63.64 1sm7 n ILE 88 Cb 0.20 0.33 0.28 0.00 -0.71 0.00 0.00 39.64 39.74 1sm7 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sm7 n ALA 89 N -1.78 2.48 -0.10 -1.39 0.00 0.15 -4.02 120.51 115.85 1sm7 n ALA 89 Ca -0.01 -0.72 -0.18 0.00 0.00 0.00 0.00 53.44 52.53 1sm7 n ALA 89 Cb 0.23 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 1sm7 n ALA 89 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1sm7 n LYS 90 N 0.94 0.67 -0.26 0.00 -0.00 0.20 -4.01 118.16 115.70 1sm7 n LYS 90 Ca 0.17 0.16 0.04 0.00 -0.00 0.00 0.00 58.31 58.68 1sm7 n LYS 90 Cb 0.49 -1.56 0.14 0.00 -0.00 0.00 0.00 35.03 34.10 1sm7 n LYS 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sm7 n ASN 91 N -3.24 2.25 0.12 -5.58 3.02 -1.26 -4.23 115.26 106.34 1sm7 n ASN 91 Ca -0.41 -2.20 -0.07 0.00 -0.03 0.00 0.00 54.58 51.87 1sm7 n ASN 91 Cb 1.02 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.75 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 1.59 -0.33 0.00 3.41 3.38 -1.70 -2.83 115.31 118.83 1sm7 h LEU 92 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sm7 h LEU 92 Cb 0.77 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1sm7 h LEU 92 CO 0.11 0.13 0.00 -0.81 0.09 0.00 0.00 178.44 177.96 1sm7 n PRO 93 N -5.04 0.63 -0.01 1.13 -0.04 -1.26 -0.30 135.00 130.11 1sm7 n PRO 93 Ca -0.05 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1sm7 n PRO 93 Cb 0.18 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.11 0.00 3.54 2.35 -1.76 -2.97 115.58 116.86 1sm7 h ASN 94 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1sm7 h ASN 94 Cb 0.02 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1sm7 h ASN 94 CO 0.00 1.22 -0.82 0.52 -1.65 0.00 0.00 177.43 176.70 1sm7 n VAL 95 N -3.17 0.00 -2.19 2.81 0.31 -1.00 -4.38 118.33 110.72 1sm7 n VAL 95 Ca -0.20 -0.20 -0.07 0.00 -0.01 0.00 0.00 64.34 63.86 1sm7 n VAL 95 Cb 1.05 0.86 0.07 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 -0.59 -0.05 -0.18 0.00 3.02 -1.12 -4.68 115.26 111.66 1sm7 n ASN 97 Ca 0.23 -0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.85 1sm7 n ASN 97 Cb 0.89 -0.25 0.10 0.00 -0.61 0.00 0.00 39.78 39.92 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 2.32 0.97 -3.27 3.52 0.00 -1.26 -4.90 117.12 114.50 1sm7 n MET 98 Ca 0.20 -2.17 -0.06 0.00 0.00 0.00 0.00 57.70 55.67 1sm7 n MET 98 Cb 0.02 -1.24 -0.05 0.00 0.00 0.00 0.00 33.22 31.95 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 -2.14 0.47 -0.66 3.17 2.20 -1.26 -4.64 119.74 116.88 1sm7 s LYS 99 Ca 0.24 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1sm7 s LYS 99 Cb 0.21 -0.19 0.41 0.00 -1.51 0.00 0.00 37.83 36.75 1sm7 s LYS 99 CO 0.02 -1.06 1.80 0.94 -0.36 0.00 0.00 175.35 176.69 1sm7 n GLN 100 N 5.27 2.94 0.09 4.03 0.00 -1.26 -4.53 117.38 123.92 1sm7 n GLN 100 Ca 0.03 -3.66 0.00 0.00 -0.00 0.00 0.00 57.00 53.37 1sm7 n GLN 100 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.47 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 -0.69 0.66 0.00 1.69 0.13 -1.26 -5.09 119.36 114.79 1sm7 n ILE 101 Ca 0.54 0.22 0.00 0.00 -1.10 0.00 0.00 62.75 62.41 1sm7 n ILE 101 Cb 0.54 -1.08 0.00 0.00 -0.84 0.00 0.00 39.64 38.26 1sm7 n ILE 101 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1sm7 n GLY 102 N 2.57 0.72 0.09 4.50 0.00 -1.26 -5.09 105.19 106.71 1sm7 n GLY 102 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1sm7 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm7 h THR 103 N 0.00 0.44 -1.67 2.61 1.03 -1.92 -3.45 112.91 109.95 1sm7 h THR 103 Ca 0.00 -1.56 -0.44 0.00 -0.01 0.00 0.00 66.41 64.39 1sm7 h THR 103 Cb 0.00 1.06 -0.31 0.00 -1.07 0.00 0.00 68.15 67.84 1sm7 h THR 103 CO 0.00 0.15 -0.85 0.00 -0.01 0.00 0.00 175.52 174.81 1sm7 s PRO 105 N -0.02 3.02 0.05 0.00 0.04 -1.26 -4.80 135.00 132.03 1sm7 s PRO 105 Ca 0.33 -0.51 -0.30 0.00 0.04 0.00 0.00 61.00 60.57 1sm7 s PRO 105 Cb 0.09 -5.01 -0.15 0.00 0.04 0.00 0.00 34.50 29.46 1sm7 s PRO 105 CO -0.15 -2.73 0.74 0.34 0.04 0.00 0.00 177.00 175.23 1sm7 n PHE 106 N 11.42 0.26 0.00 0.56 -0.00 -1.26 -4.93 117.46 123.51 1sm7 n PHE 106 Ca 0.31 0.84 0.00 0.00 -0.00 0.00 0.00 57.45 58.60 1sm7 n PHE 106 Cb 0.49 -1.66 0.00 0.00 -0.00 0.00 0.00 39.48 38.31 1sm7 n PHE 106 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1sm7 n ILE 107 N 0.87 0.00 -3.00 -2.13 3.06 -1.26 -4.97 119.36 111.93 1sm7 n ILE 107 Ca 0.16 0.00 -0.26 0.00 -2.50 0.00 0.00 62.75 60.15 1sm7 n ILE 107 Cb 0.10 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.24 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1sm7 n ALA 108 N -2.49 4.28 0.00 1.51 0.00 -1.26 -4.80 120.51 117.75 1sm7 n ALA 108 Ca 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 48.91 1sm7 n ALA 108 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1sm7 n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61