#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 1.62 0.11 -1.09 -0.04 -1.26 -3.94 135.00 130.39 1sm7 n PRO 2 Ca 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.66 1sm7 n PRO 2 Cb 0.00 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.22 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 0.00 0.54 5.75 -2.00 0.46 115.11 119.87 1sm7 h GLN 3 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1sm7 h GLN 3 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1sm7 h GLN 3 CO 0.00 0.00 0.00 1.17 -2.65 0.00 0.00 178.83 177.35 1sm7 n LYS 4 N -3.79 0.08 0.07 1.69 0.00 -1.26 -1.41 118.16 113.54 1sm7 n LYS 4 Ca 0.06 0.45 -0.05 0.00 0.00 0.00 0.00 58.31 58.78 1sm7 n LYS 4 Cb 0.56 -1.70 -0.09 0.00 0.00 0.00 0.00 35.03 33.81 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 0.00 0.00 0.04 0.00 1.08 -1.30 0.67 115.11 115.60 1sm7 h GLN 6 Ca -0.05 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.93 1sm7 h GLN 6 Cb 1.71 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.12 1sm7 h GLN 6 CO 0.11 0.00 -1.15 -0.09 -0.95 0.00 0.00 178.83 176.75 1sm7 h ARG 7 N 0.00 0.09 -0.16 1.46 2.43 -1.74 -3.32 114.38 113.15 1sm7 h ARG 7 Ca 0.43 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 1sm7 h ARG 7 Cb 1.89 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 1sm7 h ARG 7 CO -0.00 1.08 0.11 0.93 -1.51 0.00 0.00 179.97 180.57 1sm7 h GLU 8 N -0.71 0.07 -0.31 0.20 4.39 -0.87 0.34 114.58 117.69 1sm7 h GLU 8 Ca -0.28 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.31 1sm7 h GLU 8 Cb 1.44 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1sm7 h GLU 8 CO -0.07 0.05 -0.23 0.35 -1.16 0.00 0.00 179.01 177.95 1sm7 h PHE 9 N 0.07 0.83 -0.01 4.33 3.04 0.00 -3.09 116.94 122.10 1sm7 h PHE 9 Ca 0.07 -0.23 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1sm7 h PHE 9 Cb 0.19 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1sm7 h PHE 9 CO -0.00 0.96 -0.31 0.94 -2.02 0.00 0.00 178.31 177.87 1sm7 n GLN 10 N -4.30 1.27 0.51 1.11 7.27 -0.77 -1.13 117.38 121.33 1sm7 n GLN 10 Ca -0.03 -0.95 -0.20 0.00 0.07 0.00 0.00 57.00 55.89 1sm7 n GLN 10 Cb 0.44 -1.48 -0.09 0.00 2.41 0.00 0.00 30.24 31.51 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 2.32 -1.24 0.00 3.69 -0.00 -0.27 -3.43 115.11 116.18 1sm7 h GLN 11 Ca 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1sm7 h GLN 11 Cb 0.69 0.28 -0.04 0.00 0.00 0.00 0.00 27.48 28.41 1sm7 h GLN 11 CO 0.00 -0.83 -0.09 -0.85 0.00 0.00 0.00 178.83 177.06 1sm7 n GLU 12 N -5.47 0.00 -2.71 1.69 0.28 -1.25 -4.97 120.64 108.21 1sm7 n GLU 12 Ca -0.16 -0.30 -0.06 0.00 -0.16 0.00 0.00 57.16 56.48 1sm7 n GLU 12 Cb 0.51 0.20 0.08 0.00 1.43 0.00 0.00 31.44 33.66 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 1.30 0.00 3.44 7.27 -1.19 -5.11 117.38 123.09 1sm7 n GLN 13 Ca -0.08 -2.57 0.00 0.00 0.07 0.00 0.00 57.00 54.42 1sm7 n GLN 13 Cb 0.46 -0.70 0.00 0.00 2.41 0.00 0.00 30.24 32.41 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 -0.54 -1.19 -3.71 3.69 8.25 -0.28 -4.71 115.22 116.73 1sm7 n HIS 14 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 1sm7 n HIS 14 Cb 0.83 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.91 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 3.25 0.00 2.41 1.43 -1.26 -5.06 118.68 119.45 1sm7 s LEU 15 Ca 0.00 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1sm7 s LEU 15 Cb 0.00 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1sm7 s LEU 15 CO 0.00 -0.69 0.00 0.54 0.23 0.00 0.00 176.35 176.43 1sm7 n ARG 16 N -1.52 0.00 -0.26 1.70 1.74 -1.26 -4.82 116.66 112.24 1sm7 n ARG 16 Ca 0.02 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.13 1sm7 n ARG 16 Cb 0.63 0.00 0.07 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 -1.97 0.07 0.21 7.54 0.00 -1.26 0.04 120.51 125.14 1sm7 n ALA 17 Ca 0.00 0.76 -0.15 0.00 0.00 0.00 0.00 53.44 54.05 1sm7 n ALA 17 Cb 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -5.46 1.25 0.00 0.00 10.64 0.64 -4.15 117.38 120.30 1sm7 n GLN 19 Ca -0.09 -0.56 0.00 0.00 -1.83 0.00 0.00 57.00 54.51 1sm7 n GLN 19 Cb 0.36 -1.22 0.00 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.42 0.00 -0.09 2.61 1.13 0.11 -4.69 117.38 116.87 1sm7 n GLN 20 Ca 0.11 0.00 0.26 0.00 -1.94 0.00 0.00 57.00 55.43 1sm7 n GLN 20 Cb 0.67 -0.16 0.72 0.00 0.11 0.00 0.00 30.24 31.58 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1sm7 h TRP 21 N 0.00 0.00 -0.42 1.08 5.08 -0.14 0.14 115.95 121.69 1sm7 h TRP 21 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 1sm7 h TRP 21 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 1sm7 h TRP 21 CO 0.00 0.00 0.04 0.82 -1.28 0.00 0.00 178.44 178.02 1sm7 h ILE 22 N 0.00 1.21 0.00 0.12 2.04 -1.79 -0.77 117.51 118.32 1sm7 h ILE 22 Ca 0.35 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1sm7 h ILE 22 Cb 1.55 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1sm7 h ILE 22 CO -0.00 0.29 0.00 0.08 0.00 0.00 0.00 178.15 178.51 1sm7 h ARG 23 N 0.63 0.00 0.00 2.37 0.11 -1.07 -3.29 114.38 113.13 1sm7 h ARG 23 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1sm7 h ARG 23 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1sm7 h ARG 23 CO 0.01 0.00 0.00 0.37 0.10 0.00 0.00 179.97 180.45 1sm7 h GLN 24 N 0.00 0.00 0.00 0.08 -0.00 -0.28 -1.54 115.11 113.38 1sm7 h GLN 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 24 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.42 1sm7 h GLN 24 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 178.83 179.20 1sm7 h GLN 25 N 0.00 0.00 0.00 1.69 5.75 -1.61 -3.46 115.11 117.48 1sm7 h GLN 25 Ca 0.00 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.20 1sm7 h GLN 25 Cb 0.30 0.00 0.12 0.00 1.07 0.00 0.00 27.48 28.97 1sm7 h GLN 25 CO 0.00 0.00 0.28 1.28 -2.65 0.00 0.00 178.83 177.74 1sm7 n LEU 26 N -2.65 0.00 0.05 -2.39 7.99 -0.58 -4.99 117.00 114.43 1sm7 n LEU 26 Ca 0.02 -1.00 0.12 0.00 -0.01 0.00 0.00 56.01 55.13 1sm7 n LEU 26 Cb 0.31 -0.70 0.12 0.00 -0.11 0.00 0.00 43.42 43.04 1sm7 n LEU 26 CO 0.25 -1.18 0.24 0.00 -1.51 0.00 0.00 177.39 175.19 1sm7 n ALA 27 N -3.62 3.05 -3.22 -1.18 0.00 -1.26 -4.97 120.51 109.31 1sm7 n ALA 27 Ca -0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 1sm7 n ALA 27 Cb 0.40 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 -3.67 0.53 0.00 0.00 0.00 -1.26 -5.04 107.32 97.88 1sm7 s GLY 28 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1sm7 s GLY 28 CO 0.75 -0.60 0.00 -1.26 0.00 0.00 0.00 173.10 171.98 1sm7 n SER 29 N -0.44 0.00 -4.81 1.64 2.88 -1.26 -4.90 113.62 106.73 1sm7 n SER 29 Ca -0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.20 1sm7 n SER 29 Cb 0.62 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 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 3.33 -0.06 -1.46 0.04 -1.26 -5.00 135.00 130.59 1sm7 s PRO 30 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1sm7 s PRO 30 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1sm7 s PRO 30 CO 0.00 -0.80 -0.05 1.19 0.04 0.00 0.00 177.00 177.38 1sm7 n PHE 31 N -2.16 0.00 -2.96 0.56 3.72 -1.26 -5.01 117.46 110.35 1sm7 n PHE 31 Ca 0.08 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.52 1sm7 n PHE 31 Cb 0.53 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1sm7 n PHE 31 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sm7 s SER 32 N -4.55 -0.25 0.18 4.37 0.15 -1.26 -5.18 113.70 107.16 1sm7 s SER 32 Ca -0.08 -0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.29 1sm7 s SER 32 Cb 0.02 0.77 0.05 0.00 -1.71 0.00 0.00 66.02 65.16 1sm7 s SER 32 CO 0.13 -0.04 0.88 -0.70 1.20 0.00 0.00 173.24 174.71 1sm7 s GLU 33 N 2.52 1.33 0.15 5.44 2.12 -1.26 -5.14 118.70 123.86 1sm7 s GLU 33 Ca 0.23 -0.72 -0.32 0.00 0.36 0.00 0.00 54.97 54.52 1sm7 s GLU 33 Cb 0.01 0.47 -0.17 0.00 0.26 0.00 0.00 34.13 34.69 1sm7 s GLU 33 CO -0.19 -0.61 0.81 -1.71 -0.54 0.00 0.00 175.26 173.01 1sm7 n ASN 34 N -0.45 -0.31 -4.38 -1.70 5.15 -1.26 -4.55 115.26 107.75 1sm7 n ASN 34 Ca -0.06 1.14 -0.29 0.00 -0.60 0.00 0.00 54.58 54.77 1sm7 n ASN 34 Cb 0.60 -1.01 -0.19 0.00 -0.53 0.00 0.00 39.78 38.65 1sm7 n ASN 34 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1sm7 n GLN 35 N 1.23 0.00 -0.86 1.20 -0.06 -1.26 -4.75 117.38 112.89 1sm7 n GLN 35 Ca 0.17 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.12 1sm7 n GLN 35 Cb 0.21 -1.18 0.24 0.00 -4.06 0.00 0.00 30.24 25.45 1sm7 n GLN 35 CO 0.00 0.00 0.00 1.87 -0.20 0.00 0.00 177.06 178.73 1sm7 n TRP 36 N 7.39 1.76 0.00 3.69 -0.00 -1.26 -2.56 117.44 126.46 1sm7 n TRP 36 Ca 0.65 -1.37 0.00 0.00 -0.00 0.00 0.00 57.50 56.79 1sm7 n TRP 36 Cb 0.09 -0.58 0.00 0.00 -0.00 0.00 0.00 31.31 30.82 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 -0.72 0.31 0.08 5.87 0.00 -1.26 -4.63 105.19 104.84 1sm7 n GLY 37 Ca 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 0.00 -0.05 0.31 1.61 0.13 -1.96 -0.99 132.00 131.05 1sm7 h PRO 38 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sm7 h PRO 38 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1sm7 h PRO 38 CO 0.00 0.37 -0.32 1.96 -0.23 0.00 0.00 178.00 179.78 1sm7 h GLN 39 N -0.99 -0.64 -0.85 0.86 1.08 -1.94 -1.34 115.11 111.30 1sm7 h GLN 39 Ca -0.01 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1sm7 h GLN 39 Cb 0.44 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1sm7 h GLN 39 CO 0.01 -0.43 0.02 0.94 -0.95 0.00 0.00 178.83 178.42 1sm7 n GLN 40 N -5.43 2.45 0.35 1.46 -0.06 -1.06 -4.44 117.38 110.65 1sm7 n GLN 40 Ca -0.09 -1.23 -0.14 0.00 -2.00 0.00 0.00 57.00 53.54 1sm7 n GLN 40 Cb 0.34 -1.78 -0.07 0.00 -4.06 0.00 0.00 30.24 24.67 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1sm7 h GLY 41 N 4.48 -0.95 1.69 1.69 0.00 0.04 -3.31 103.07 106.70 1sm7 h GLY 41 Ca 0.02 0.35 -0.18 0.00 0.00 0.00 0.00 47.33 47.52 1sm7 h GLY 41 CO 0.21 -0.35 -0.74 -0.56 0.00 0.00 0.00 176.54 175.10 1sm7 h PRO 42 N -1.09 0.30 -4.22 4.80 0.13 -1.78 -3.39 132.00 126.76 1sm7 h PRO 42 Ca -0.09 -0.26 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 1sm7 h PRO 42 Cb 0.70 0.06 0.05 0.00 0.13 0.00 0.00 31.00 31.93 1sm7 h PRO 42 CO 0.15 0.92 2.24 0.43 -0.23 0.00 0.00 178.00 181.51 1sm7 n SER 43 N -3.79 2.89 0.00 1.44 7.64 -1.24 -2.75 113.62 117.80 1sm7 n SER 43 Ca -0.04 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1sm7 n SER 43 Cb 0.71 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 6.62 0.00 0.13 -3.43 4.77 -1.26 -4.86 117.00 118.98 1sm7 n LEU 44 Ca 0.46 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.38 1sm7 n LEU 44 Cb 0.31 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1sm7 n LEU 44 CO 0.94 0.00 0.44 -0.09 -1.33 0.00 0.00 177.39 177.35 1sm7 h ARG 45 N 0.00 -0.33 -0.41 3.23 9.65 -1.82 0.37 114.38 125.08 1sm7 h ARG 45 Ca 0.00 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.02 1sm7 h ARG 45 Cb 0.00 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1sm7 h ARG 45 CO 0.00 -0.22 0.42 0.93 2.80 0.00 0.00 179.97 183.90 1sm7 h GLU 46 N -0.38 0.00 0.29 0.20 5.08 -1.94 0.51 114.58 118.34 1sm7 h GLU 46 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1sm7 h GLU 46 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sm7 h GLU 46 CO 0.06 0.00 -0.14 1.96 -1.00 0.00 0.00 179.01 179.89 1sm7 h GLN 47 N 0.00 -0.38 -0.79 2.33 4.20 -1.87 -3.24 115.11 115.35 1sm7 h GLN 47 Ca 0.19 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 1sm7 h GLN 47 Cb 1.03 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.85 1sm7 h GLN 47 CO -0.00 -0.18 0.49 0.00 -0.67 0.00 0.00 178.83 178.47 1sm7 n ASN 50 N -1.90 2.90 0.30 0.00 3.02 -0.15 -4.42 115.26 115.00 1sm7 n ASN 50 Ca -0.01 -0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.70 1sm7 n ASN 50 Cb 0.13 -0.08 0.94 0.00 -0.61 0.00 0.00 39.78 40.15 1sm7 n ASN 50 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1sm7 h GLU 51 N -0.04 0.00 0.00 3.52 4.11 0.43 0.42 114.58 123.03 1sm7 h GLU 51 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1sm7 h GLU 51 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sm7 h GLU 51 CO -0.03 0.02 -0.89 1.47 0.07 0.00 0.00 179.01 179.66 1sm7 n LEU 52 N -3.67 0.85 -0.04 3.06 -0.00 0.16 -4.38 117.00 112.98 1sm7 n LEU 52 Ca -0.03 -0.36 0.02 0.00 -0.00 0.00 0.00 56.01 55.64 1sm7 n LEU 52 Cb 0.11 -0.07 -0.13 0.00 -0.00 0.00 0.00 43.42 43.33 1sm7 n LEU 52 CO 0.27 0.21 -0.84 0.00 -0.00 0.00 0.00 177.39 177.03 1sm7 n TYR 53 N -1.52 0.00 0.06 1.47 4.19 -0.14 -4.30 117.16 116.92 1sm7 n TYR 53 Ca 0.04 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.36 1sm7 n TYR 53 Cb 0.34 -0.56 0.56 0.00 0.49 0.00 0.00 39.34 40.17 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 0.00 0.23 0.00 2.98 3.07 -0.46 0.58 115.11 121.51 1sm7 h GLN 54 Ca -0.18 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.54 1sm7 h GLN 54 Cb 1.29 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.80 1sm7 h GLN 54 CO 0.01 0.15 0.00 0.39 0.09 0.00 0.00 178.83 179.47 1sm7 n GLU 55 N -4.48 0.97 0.00 0.06 1.02 -1.26 -5.02 120.64 111.93 1sm7 n GLU 55 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1sm7 n GLU 55 Cb 0.25 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.62 -0.02 0.09 1.62 -0.08 0.20 -3.71 116.55 114.02 1sm7 n ASP 56 Ca 0.06 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.39 1sm7 n ASP 56 Cb 0.03 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.48 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 -1.82 -3.31 115.11 116.81 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 0.20 0.00 0.28 -1.50 0.00 0.00 178.83 177.81 1sm7 n VAL 58 N -2.90 0.09 -0.88 -0.54 0.31 -1.26 -2.10 118.33 111.05 1sm7 n VAL 58 Ca -0.03 0.02 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1sm7 n VAL 58 Cb 0.70 -0.57 0.19 0.00 -0.91 0.00 0.00 33.84 33.25 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 -0.72 0.25 -3.65 0.00 0.31 -0.89 -3.97 118.33 109.67 1sm7 n VAL 60 Ca 0.17 -0.49 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 1sm7 n VAL 60 Cb 0.72 -0.10 -0.05 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.68 0.66 -0.21 0.00 -0.04 -1.26 -3.73 135.00 131.10 1sm7 n PRO 62 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1sm7 n PRO 62 Cb 0.59 -1.16 0.12 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.67 0.00 0.52 2.02 -1.82 0.47 112.91 114.77 1sm7 h THR 63 Ca 0.00 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1sm7 h THR 63 Cb 0.16 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1sm7 h THR 63 CO 0.00 0.06 -0.24 -0.07 0.37 0.00 0.00 175.52 175.64 1sm7 h LEU 64 N 0.32 0.00 -1.44 2.58 3.38 -1.69 -2.32 115.31 116.14 1sm7 h LEU 64 Ca 0.33 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.71 1sm7 h LEU 64 Cb 0.48 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 1sm7 h LEU 64 CO -0.39 0.24 0.85 0.50 0.09 0.00 0.00 178.44 179.73 1sm7 h LYS 65 N 0.00 0.12 0.45 1.13 3.64 -1.18 0.32 116.57 121.05 1sm7 h LYS 65 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1sm7 h LYS 65 Cb 0.49 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1sm7 h LYS 65 CO 0.03 0.08 -0.22 1.96 -2.27 0.00 0.00 179.45 179.03 1sm7 h GLN 66 N 0.12 -0.58 -1.01 1.90 7.50 -1.47 0.22 115.11 121.79 1sm7 h GLN 66 Ca 0.79 0.04 0.27 0.00 0.50 0.00 0.00 58.65 60.24 1sm7 h GLN 66 Cb 2.46 0.13 -0.07 0.00 0.05 0.00 0.00 27.48 30.06 1sm7 h GLN 66 CO -0.37 -0.34 0.68 0.00 -1.50 0.00 0.00 178.83 177.30 1sm7 h ALA 67 N -1.02 2.52 0.11 3.87 0.00 -1.39 -1.02 119.26 122.33 1sm7 h ALA 67 Ca -0.06 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 1sm7 h ALA 67 Cb 0.51 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1sm7 h ALA 67 CO 0.10 -0.86 -1.19 0.00 0.00 0.00 0.00 179.25 177.30 1sm7 h ALA 68 N 1.56 0.11 -0.32 0.00 0.00 -0.44 -2.32 119.26 117.85 1sm7 h ALA 68 Ca 0.53 -0.80 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1sm7 h ALA 68 Cb 1.62 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1sm7 h ALA 68 CO -0.16 0.82 0.03 0.87 0.00 0.00 0.00 179.25 180.81 1sm7 h LYS 69 N 0.18 0.12 -1.25 0.00 1.57 0.76 -2.42 116.57 115.53 1sm7 h LYS 69 Ca -0.15 -0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 57.95 1sm7 h LYS 69 Cb 1.88 -0.03 -0.32 0.00 0.08 0.00 0.00 32.23 33.84 1sm7 h LYS 69 CO 0.21 0.08 0.51 0.45 -0.57 0.00 0.00 179.45 180.13 1sm7 n SER 70 N -5.14 6.95 0.22 0.86 2.88 -0.90 -4.61 113.62 113.88 1sm7 n SER 70 Ca 0.01 -3.79 0.10 0.00 -1.33 0.00 0.00 58.87 53.85 1sm7 n SER 70 Cb 0.16 -0.85 0.41 0.00 -0.75 0.00 0.00 64.21 63.18 1sm7 n SER 70 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1sm7 h VAL 71 N 1.58 0.54 0.00 2.46 3.04 -0.89 -3.32 116.25 119.67 1sm7 h VAL 71 Ca 0.53 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1sm7 h VAL 71 Cb 0.74 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1sm7 h VAL 71 CO 1.36 0.23 0.00 0.54 -1.01 0.00 0.00 177.57 178.69 1sm7 n ARG 72 N -3.35 0.00 -2.16 4.17 1.74 -1.26 -4.62 116.66 111.18 1sm7 n ARG 72 Ca 0.00 -0.36 -0.43 0.00 -0.77 0.00 0.00 57.85 56.29 1sm7 n ARG 72 Cb 0.46 -0.47 -0.02 0.00 -1.02 0.00 0.00 32.46 31.40 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sm7 s VAL 73 N 0.00 3.78 0.00 1.55 1.01 -1.25 -4.86 120.40 120.63 1sm7 s VAL 73 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1sm7 s VAL 73 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1sm7 s VAL 73 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.83 1sm7 n GLN 74 N 7.45 0.00 0.00 2.72 6.02 -1.26 -4.97 117.38 127.34 1sm7 n GLN 74 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1sm7 n GLN 74 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 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 0.00 0.07 2.81 1.08 0.00 -1.26 -4.94 105.19 102.95 1sm7 n GLY 75 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.01 0.99 0.00 1.61 -0.21 -1.26 -5.08 119.66 115.70 1sm7 s GLN 76 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.44 1sm7 s GLN 76 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1sm7 s GLN 76 CO 0.00 -0.79 0.00 1.58 -2.12 0.00 0.00 175.29 173.96 1sm7 n HIS 77 N 4.81 0.00 -2.48 0.91 -0.00 -1.26 -5.18 115.22 112.03 1sm7 n HIS 77 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1sm7 n HIS 77 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 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 5.00 -0.52 3.55 1.57 0.00 -1.26 -5.08 105.19 108.46 1sm7 n GLY 78 Ca 0.00 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.59 2.64 0.00 1.61 0.04 -1.26 -3.80 135.00 132.64 1sm7 s PRO 79 Ca 0.00 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1sm7 s PRO 79 Cb 0.00 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.85 1sm7 s PRO 79 CO 0.00 -2.97 0.00 0.34 0.04 0.00 0.00 177.00 174.41 1sm7 n PHE 80 N 13.04 -0.39 0.00 0.56 -0.00 -1.26 -4.99 117.46 124.43 1sm7 n PHE 80 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.73 1sm7 n PHE 80 Cb 0.50 0.08 0.00 0.00 -0.00 0.00 0.00 39.48 40.06 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1sm7 n GLN 81 N -1.54 0.00 -0.51 -4.13 1.13 -1.25 -3.32 117.38 107.76 1sm7 n GLN 81 Ca 0.00 0.39 0.42 0.00 -1.94 0.00 0.00 57.00 55.87 1sm7 n GLN 81 Cb 0.00 -1.18 0.69 0.00 0.11 0.00 0.00 30.24 29.85 1sm7 n GLN 81 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1sm7 n SER 82 N -1.68 0.16 0.00 1.08 3.41 -1.26 -0.07 113.62 115.25 1sm7 n SER 82 Ca 0.00 1.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 1sm7 n SER 82 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1sm7 n SER 82 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1sm7 n THR 83 N -4.46 0.00 0.03 6.66 -1.04 -1.25 -1.35 114.28 112.87 1sm7 n THR 83 Ca 0.40 1.25 -0.10 0.00 -2.04 0.00 0.00 64.05 63.56 1sm7 n THR 83 Cb 1.61 -2.03 0.03 0.00 -1.82 0.00 0.00 70.33 68.12 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 0.48 -0.32 -2.82 9.65 -0.92 -1.82 114.38 118.63 1sm7 h ARG 84 Ca 0.00 -0.36 0.06 0.00 -1.10 0.00 0.00 59.98 58.58 1sm7 h ARG 84 Cb 0.00 0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.56 1sm7 h ARG 84 CO 0.00 0.98 -0.40 0.82 2.80 0.00 0.00 179.97 184.17 1sm7 h ILE 85 N 0.34 0.15 -0.22 1.20 1.08 -0.55 0.22 117.51 119.73 1sm7 h ILE 85 Ca -0.02 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 1sm7 h ILE 85 Cb 1.24 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1sm7 h ILE 85 CO 0.12 0.00 -0.31 1.88 -0.69 0.00 0.00 178.15 179.15 1sm7 h TYR 86 N -0.36 0.52 0.00 1.37 -1.99 -1.21 0.13 116.97 115.43 1sm7 h TYR 86 Ca 0.13 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sm7 h TYR 86 Cb 0.59 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1sm7 h TYR 86 CO -0.56 0.72 0.00 0.94 -0.00 0.00 0.00 178.16 179.26 1sm7 n GLN 87 N -4.09 0.53 0.00 4.88 7.27 -0.15 -0.99 117.38 124.83 1sm7 n GLN 87 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1sm7 n GLN 87 Cb 0.44 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.59 1sm7 n GLN 87 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1sm7 n ILE 88 N -1.02 0.00 0.85 1.69 5.41 0.58 -4.61 119.36 122.26 1sm7 n ILE 88 Ca 0.13 -0.22 0.11 0.00 1.00 0.00 0.00 62.75 63.77 1sm7 n ILE 88 Cb 0.07 0.74 0.10 0.00 -0.71 0.00 0.00 39.64 39.84 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 -0.89 3.74 0.16 -1.39 0.00 0.38 -3.95 120.51 118.57 1sm7 n ALA 89 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.07 1sm7 n ALA 89 Cb 0.00 -1.00 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 1.57 0.00 0.00 0.00 177.50 179.07 1sm7 h LYS 90 N 0.00 0.00 -0.02 0.00 -0.00 -1.32 -2.83 116.57 112.40 1sm7 h LYS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1sm7 h LYS 90 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.81 1sm7 h LYS 90 CO 0.00 0.40 -0.01 0.09 -0.00 0.00 0.00 179.45 179.93 1sm7 n ASN 91 N -3.26 1.77 0.23 7.07 5.03 -1.25 -4.30 115.26 120.54 1sm7 n ASN 91 Ca 0.02 -1.58 -0.14 0.00 0.87 0.00 0.00 54.58 53.75 1sm7 n ASN 91 Cb 0.65 0.01 -0.08 0.00 -1.02 0.00 0.00 39.78 39.34 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1sm7 h LEU 92 N 2.76 -0.50 0.00 3.41 3.38 -1.62 -0.54 115.31 122.20 1sm7 h LEU 92 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sm7 h LEU 92 Cb 0.59 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1sm7 h LEU 92 CO 0.00 -0.17 0.00 -0.81 0.09 0.00 0.00 178.44 177.55 1sm7 n PRO 93 N -5.24 0.57 -0.13 1.13 -0.04 -1.26 0.09 135.00 130.11 1sm7 n PRO 93 Ca -0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.16 1sm7 n PRO 93 Cb 0.30 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1sm7 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sm7 n ASN 94 N -0.85 1.98 -0.01 3.54 3.02 -1.10 -3.36 115.26 118.48 1sm7 n ASN 94 Ca 0.10 -0.07 0.10 0.00 -0.03 0.00 0.00 54.58 54.68 1sm7 n ASN 94 Cb 0.04 -0.47 -0.15 0.00 -0.61 0.00 0.00 39.78 38.59 1sm7 n ASN 94 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1sm7 n VAL 95 N -3.39 0.00 -2.11 2.41 0.31 -0.23 -4.26 118.33 111.07 1sm7 n VAL 95 Ca -0.47 -0.35 -0.06 0.00 -0.01 0.00 0.00 64.34 63.45 1sm7 n VAL 95 Cb 0.98 0.30 0.08 0.00 -0.91 0.00 0.00 33.84 34.30 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 -0.13 -0.20 0.00 3.02 -1.21 -4.58 115.26 111.52 1sm7 n ASN 97 Ca 0.24 -0.04 0.05 0.00 -0.03 0.00 0.00 54.58 54.80 1sm7 n ASN 97 Cb 0.88 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.95 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 1.68 0.93 -3.16 3.52 0.00 -1.26 -4.91 117.12 113.93 1sm7 n MET 98 Ca 0.16 -1.82 0.04 0.00 0.00 0.00 0.00 57.70 56.08 1sm7 n MET 98 Cb 0.02 -1.05 -0.00 0.00 0.00 0.00 0.00 33.22 32.18 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 -1.56 0.58 -0.17 3.17 2.36 -1.26 -4.63 119.74 118.23 1sm7 s LYS 99 Ca 0.16 0.47 0.11 0.00 -2.55 0.00 0.00 55.97 54.16 1sm7 s LYS 99 Cb 0.14 0.23 -0.23 0.00 -1.05 0.00 0.00 37.83 36.92 1sm7 s LYS 99 CO 0.02 -1.06 0.18 0.94 1.55 0.00 0.00 175.35 176.97 1sm7 n GLN 100 N 5.33 0.68 0.00 4.03 0.00 -1.26 -4.64 117.38 121.51 1sm7 n GLN 100 Ca 0.05 0.12 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1sm7 n GLN 100 Cb 0.54 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.18 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 -2.99 0.00 0.00 1.69 0.13 -1.26 -4.97 119.36 111.95 1sm7 n ILE 101 Ca -0.32 1.18 0.00 0.00 -1.10 0.00 0.00 62.75 62.51 1sm7 n ILE 101 Cb 1.09 -1.86 0.00 0.00 -0.84 0.00 0.00 39.64 38.03 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 -0.88 0.05 0.00 4.50 0.00 -1.26 -5.12 105.19 102.48 1sm7 n GLY 102 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -2.91 2.61 2.02 -1.92 -3.44 112.91 109.27 1sm7 h THR 103 Ca 0.00 -0.03 -0.61 0.00 0.77 0.00 0.00 66.41 66.53 1sm7 h THR 103 Cb 0.00 0.00 -0.41 0.00 -1.74 0.00 0.00 68.15 66.00 1sm7 h THR 103 CO 0.00 0.00 -0.71 0.00 0.37 0.00 0.00 175.52 175.18 1sm7 n PRO 105 N 2.57 2.60 -1.72 0.00 -0.04 -1.26 -4.77 135.00 132.38 1sm7 n PRO 105 Ca 0.19 -1.61 -0.43 0.00 -0.04 0.00 0.00 63.50 61.61 1sm7 n PRO 105 Cb 0.38 -2.47 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 1sm7 n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1sm7 n PHE 106 N 3.65 2.57 0.00 0.54 7.35 -1.26 -4.64 117.46 125.67 1sm7 n PHE 106 Ca 0.55 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.59 1sm7 n PHE 106 Cb 0.28 -2.53 0.00 0.00 0.35 0.00 0.00 39.48 37.58 1sm7 n PHE 106 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1sm7 n ILE 107 N 1.93 0.00 -1.86 -2.13 -5.35 -1.26 -4.79 119.36 105.89 1sm7 n ILE 107 Ca 0.09 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.36 1sm7 n ILE 107 Cb 0.35 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.18 1sm7 n ILE 107 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sm7 s ALA 108 N 0.00 1.25 0.00 -1.28 0.00 -1.26 -5.01 121.76 115.46 1sm7 s ALA 108 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1sm7 s ALA 108 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.51 1sm7 s ALA 108 CO 0.00 -5.51 0.09 0.44 0.00 0.00 0.00 175.76 170.77