#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm7 s PRO 2 N 0.00 3.26 0.18 -1.09 0.04 -1.26 -4.86 135.00 131.27 1sm7 s PRO 2 Ca 0.00 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 1sm7 s PRO 2 Cb 0.00 -4.17 0.05 0.00 0.04 0.00 0.00 34.50 30.42 1sm7 s PRO 2 CO 0.00 -1.96 1.42 0.37 0.04 0.00 0.00 177.00 176.87 1sm7 h GLN 3 N 12.23 0.34 0.00 4.56 5.75 -1.95 0.67 115.11 136.71 1sm7 h GLN 3 Ca -0.29 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 57.91 1sm7 h GLN 3 Cb 1.13 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1sm7 h GLN 3 CO 1.12 0.96 0.00 1.17 -2.65 0.00 0.00 178.83 179.42 1sm7 n LYS 4 N -3.79 0.15 -0.05 1.69 0.00 -1.26 -0.94 118.16 113.96 1sm7 n LYS 4 Ca -0.04 0.60 -0.09 0.00 0.00 0.00 0.00 58.31 58.78 1sm7 n LYS 4 Cb 0.73 -1.95 -0.04 0.00 0.00 0.00 0.00 35.03 33.77 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 -0.17 0.00 -0.33 0.00 4.20 0.43 0.80 115.11 120.04 1sm7 h GLN 6 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1sm7 h GLN 6 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1sm7 h GLN 6 CO -0.09 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 175.94 1sm7 n ARG 7 N -3.27 2.45 0.00 1.46 0.63 -0.11 -3.61 116.66 114.20 1sm7 n ARG 7 Ca -0.02 -2.18 0.00 0.00 -0.92 0.00 0.00 57.85 54.74 1sm7 n ARG 7 Cb 0.19 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.60 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1sm7 n GLU 8 N 1.41 1.20 -0.05 -0.14 -0.58 0.81 -4.06 120.64 119.24 1sm7 n GLU 8 Ca 0.19 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.77 1sm7 n GLU 8 Cb 0.59 -0.99 -0.06 0.00 -0.57 0.00 0.00 31.44 30.41 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1sm7 h PHE 9 N 0.00 1.04 0.00 -0.32 3.04 0.21 -3.20 116.94 117.71 1sm7 h PHE 9 Ca 0.00 -0.41 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1sm7 h PHE 9 Cb 0.98 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.31 1sm7 h PHE 9 CO 0.00 1.23 -0.92 0.94 -2.02 0.00 0.00 178.31 177.55 1sm7 n GLN 10 N -4.02 0.05 -0.12 1.11 7.27 -1.24 -1.08 117.38 119.35 1sm7 n GLN 10 Ca -0.06 -0.01 -0.10 0.00 0.07 0.00 0.00 57.00 56.90 1sm7 n GLN 10 Cb 0.66 -1.51 -0.05 0.00 2.41 0.00 0.00 30.24 31.75 1sm7 n GLN 10 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 1sm7 h GLN 11 N 0.00 -0.33 0.00 3.69 -0.00 -1.69 -3.42 115.11 113.36 1sm7 h GLN 11 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1sm7 h GLN 11 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 1sm7 h GLN 11 CO 0.00 -0.22 -0.04 -0.85 0.00 0.00 0.00 178.83 177.72 1sm7 n GLU 12 N -5.41 0.00 -2.69 1.69 0.28 -1.26 -5.01 120.64 108.23 1sm7 n GLU 12 Ca -0.01 -0.14 -0.07 0.00 -0.16 0.00 0.00 57.16 56.79 1sm7 n GLU 12 Cb 0.35 0.25 0.08 0.00 1.43 0.00 0.00 31.44 33.54 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 1.24 0.00 3.44 6.02 -1.22 -5.12 117.38 121.74 1sm7 n GLN 13 Ca -0.04 -2.52 0.00 0.00 -0.01 0.00 0.00 57.00 54.43 1sm7 n GLN 13 Cb 0.26 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 30.87 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 -0.46 -1.05 -4.31 1.08 8.25 -0.24 -4.74 115.22 113.76 1sm7 n HIS 14 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 1sm7 n HIS 14 Cb 0.84 0.00 -0.08 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 3.03 0.00 2.41 1.43 -1.26 -5.04 118.68 119.25 1sm7 s LEU 15 Ca 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1sm7 s LEU 15 Cb 0.00 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1sm7 s LEU 15 CO 0.00 -0.20 0.00 0.54 0.23 0.00 0.00 176.35 176.92 1sm7 n ARG 16 N -0.95 0.00 -0.35 1.70 5.12 -1.26 -4.80 116.66 116.12 1sm7 n ARG 16 Ca -0.04 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.89 1sm7 n ARG 16 Cb 0.62 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.99 1sm7 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sm7 n ALA 17 N -1.71 0.01 0.11 7.54 0.00 -1.26 0.61 120.51 125.81 1sm7 n ALA 17 Ca 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.28 1sm7 n ALA 17 Cb 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 -5.43 1.22 0.00 0.00 -0.00 0.92 -3.89 117.38 110.20 1sm7 n GLN 19 Ca -0.07 -0.53 0.00 0.00 -0.00 0.00 0.00 57.00 56.41 1sm7 n GLN 19 Cb 0.34 -1.21 0.00 0.00 -0.00 0.00 0.00 30.24 29.37 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 0.23 0.00 0.29 2.61 1.13 0.20 -4.63 117.38 117.21 1sm7 n GLN 20 Ca 0.11 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.30 1sm7 n GLN 20 Cb 0.70 -0.42 0.84 0.00 0.11 0.00 0.00 30.24 31.47 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 0.00 1.08 5.08 -0.23 0.53 115.95 122.42 1sm7 h TRP 21 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1sm7 h TRP 21 Cb 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 1sm7 h TRP 21 CO 0.00 0.01 0.00 0.82 -1.28 0.00 0.00 178.44 177.99 1sm7 h ILE 22 N 0.00 0.00 0.00 0.12 2.04 -1.78 0.54 117.51 118.43 1sm7 h ILE 22 Ca -0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1sm7 h ILE 22 Cb 0.03 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1sm7 h ILE 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.69 1sm7 n ARG 23 N -2.87 0.71 0.19 2.37 3.00 0.18 -3.51 116.66 116.73 1sm7 n ARG 23 Ca -0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.85 57.91 1sm7 n ARG 23 Cb 0.21 -1.50 0.25 0.00 0.00 0.00 0.00 32.46 31.42 1sm7 n ARG 23 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1sm7 h GLN 24 N 0.00 0.00 0.00 5.56 4.20 -0.97 -3.08 115.11 120.82 1sm7 h GLN 24 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sm7 h GLN 24 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1sm7 h GLN 24 CO 0.00 0.31 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 1sm7 n GLN 25 N -3.29 0.02 -1.81 1.46 -0.00 -1.23 -4.75 117.38 107.78 1sm7 n GLN 25 Ca 0.01 0.34 -0.29 0.00 -0.00 0.00 0.00 57.00 57.07 1sm7 n GLN 25 Cb 0.57 -1.50 0.11 0.00 -0.00 0.00 0.00 30.24 29.41 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sm7 s LEU 26 N -2.94 2.38 -0.20 2.61 2.01 -1.16 -4.95 118.68 116.43 1sm7 s LEU 26 Ca 0.04 0.80 0.01 0.00 0.01 0.00 0.00 54.13 54.99 1sm7 s LEU 26 Cb 0.05 -3.23 0.22 0.00 0.01 0.00 0.00 46.19 43.24 1sm7 s LEU 26 CO 0.14 -2.11 1.60 0.00 1.01 0.00 0.00 176.35 176.98 1sm7 n ALA 27 N -3.46 4.11 -0.84 4.21 0.00 -1.26 -4.63 120.51 118.64 1sm7 n ALA 27 Ca 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1sm7 n ALA 27 Cb 0.60 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.16 0.58 3.45 0.00 0.00 -1.26 -5.06 105.19 103.06 1sm7 n GLY 28 Ca 0.23 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1sm7 n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sm7 n SER 29 N -0.20 -1.26 -4.79 1.61 2.88 -1.26 -4.94 113.62 105.66 1sm7 n SER 29 Ca 0.00 0.63 -0.33 0.00 -1.33 0.00 0.00 58.87 57.85 1sm7 n SER 29 Cb 0.20 -1.19 0.04 0.00 -0.75 0.00 0.00 64.21 62.51 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 -2.50 2.96 0.15 -1.46 0.04 -1.26 -5.06 135.00 127.86 1sm7 s PRO 30 Ca 0.66 1.27 0.03 0.00 0.04 0.00 0.00 61.00 63.00 1sm7 s PRO 30 Cb -0.38 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1sm7 s PRO 30 CO 0.57 -1.11 -0.07 -0.06 0.04 0.00 0.00 177.00 176.37 1sm7 s PHE 31 N -2.49 1.22 -1.17 0.56 0.40 -1.26 -5.03 117.98 110.21 1sm7 s PHE 31 Ca 0.64 -0.84 0.16 0.00 -0.60 0.00 0.00 56.93 56.29 1sm7 s PHE 31 Cb -0.18 -0.65 0.72 0.00 0.51 0.00 0.00 43.02 43.41 1sm7 s PHE 31 CO 0.42 -0.02 1.48 0.45 0.70 0.00 0.00 175.22 178.25 1sm7 n SER 32 N -0.20 0.00 0.11 1.36 2.88 -1.26 -4.32 113.62 112.20 1sm7 n SER 32 Ca -0.10 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1sm7 n SER 32 Cb 0.61 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1sm7 n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sm7 n GLU 33 N -1.41 0.00 0.00 -1.46 1.02 -1.26 -5.08 120.64 112.45 1sm7 n GLU 33 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1sm7 n GLU 33 Cb 0.16 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1sm7 n GLU 33 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sm7 n ASN 34 N -3.34 0.00 -0.67 1.62 4.13 -1.26 -5.15 115.26 110.58 1sm7 n ASN 34 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1sm7 n ASN 34 Cb 0.01 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 1sm7 n ASN 34 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1sm7 n GLN 35 N 0.00 0.00 -0.53 3.52 -0.06 -1.26 -4.78 117.38 114.27 1sm7 n GLN 35 Ca 0.00 0.00 0.08 0.00 -2.00 0.00 0.00 57.00 55.08 1sm7 n GLN 35 Cb 0.00 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 26.48 1sm7 n GLN 35 CO 0.00 0.00 0.00 0.91 -0.20 0.00 0.00 177.06 177.77 1sm7 n TRP 36 N 0.00 1.28 0.00 3.69 8.01 -1.26 -4.99 117.44 124.17 1sm7 n TRP 36 Ca 0.00 -0.51 0.00 0.00 -1.31 0.00 0.00 57.50 55.68 1sm7 n TRP 36 Cb 0.00 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.07 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 0.98 2.14 3.57 6.99 0.00 -1.26 -4.99 105.19 112.62 1sm7 n GLY 37 Ca 0.22 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 2.92 0.20 1.61 0.04 -1.26 -4.88 135.00 133.62 1sm7 s PRO 38 Ca 0.00 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.61 1sm7 s PRO 38 Cb 0.00 -4.30 0.14 0.00 0.04 0.00 0.00 34.50 30.38 1sm7 s PRO 38 CO 0.00 -2.38 1.57 0.37 0.04 0.00 0.00 177.00 176.59 1sm7 h GLN 39 N 13.78 -0.10 0.00 4.56 4.15 -1.98 0.37 115.11 135.90 1sm7 h GLN 39 Ca -0.28 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.08 1sm7 h GLN 39 Cb 1.15 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1sm7 h GLN 39 CO 1.17 -0.07 -0.34 0.37 -1.93 0.00 0.00 178.83 178.03 1sm7 h GLN 40 N -0.10 0.00 -5.49 1.69 4.15 -2.04 -3.48 115.11 109.83 1sm7 h GLN 40 Ca 0.26 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.41 1sm7 h GLN 40 Cb 0.56 0.00 0.19 0.00 0.21 0.00 0.00 27.48 28.44 1sm7 h GLN 40 CO -0.82 0.34 -0.82 0.41 -1.93 0.00 0.00 178.83 176.01 1sm7 n GLY 41 N -0.49 -0.89 0.16 2.39 0.00 0.13 -4.95 105.19 101.55 1sm7 n GLY 41 Ca -0.02 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.34 0.00 -2.55 1.61 0.13 -1.93 -3.25 132.00 124.68 1sm7 h PRO 42 Ca -0.60 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.76 1sm7 h PRO 42 Cb 1.32 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.15 1sm7 h PRO 42 CO 0.46 0.49 0.66 0.43 -0.23 0.00 0.00 178.00 179.80 1sm7 n SER 43 N -3.89 6.43 0.00 1.44 7.64 -1.26 -4.42 113.62 119.56 1sm7 n SER 43 Ca -0.01 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.32 1sm7 n SER 43 Cb 0.51 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 0.62 2.02 0.00 -3.43 4.77 -1.23 -4.54 117.00 115.21 1sm7 n LEU 44 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1sm7 n LEU 44 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1sm7 n LEU 44 CO 0.59 0.34 0.29 0.54 -1.33 0.00 0.00 177.39 177.82 1sm7 n ARG 45 N -2.17 0.00 0.20 3.23 5.12 -1.26 0.19 116.66 121.97 1sm7 n ARG 45 Ca 0.00 0.24 0.18 0.00 -1.93 0.00 0.00 57.85 56.34 1sm7 n ARG 45 Cb 0.34 -1.13 0.79 0.00 -1.16 0.00 0.00 32.46 31.30 1sm7 n ARG 45 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1sm7 h GLU 46 N 0.00 0.00 0.28 5.56 5.08 -1.91 0.52 114.58 124.11 1sm7 h GLU 46 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sm7 h GLU 46 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sm7 h GLU 46 CO 0.00 0.00 -0.14 1.96 -1.00 0.00 0.00 179.01 179.83 1sm7 h GLN 47 N 0.00 -0.37 -0.55 2.33 4.20 -1.79 -3.12 115.11 115.82 1sm7 h GLN 47 Ca 0.10 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 1sm7 h GLN 47 Cb 0.84 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1sm7 h GLN 47 CO -0.00 -0.11 0.05 0.00 -0.67 0.00 0.00 178.83 178.10 1sm7 n ASN 50 N -2.77 1.89 0.24 0.00 3.02 -0.75 -4.17 115.26 112.71 1sm7 n ASN 50 Ca -0.02 -0.05 0.17 0.00 -0.03 0.00 0.00 54.58 54.64 1sm7 n ASN 50 Cb 0.32 0.28 0.81 0.00 -0.61 0.00 0.00 39.78 40.57 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 0.00 0.00 0.00 3.52 4.11 0.19 0.29 114.58 122.69 1sm7 h GLU 51 Ca -0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 1sm7 h GLU 51 Cb 1.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.01 1sm7 h GLU 51 CO -0.02 0.00 -1.99 1.47 0.07 0.00 0.00 179.01 178.54 1sm7 n LEU 52 N -2.71 0.23 0.04 3.06 -0.00 0.22 -4.43 117.00 113.41 1sm7 n LEU 52 Ca -0.01 0.10 -0.14 0.00 -0.00 0.00 0.00 56.01 55.96 1sm7 n LEU 52 Cb 0.14 0.21 -0.14 0.00 -0.00 0.00 0.00 43.42 43.64 1sm7 n LEU 52 CO 0.19 0.23 -0.34 0.22 -0.00 0.00 0.00 177.39 177.69 1sm7 h TYR 53 N 0.00 0.32 -0.89 1.47 5.03 -1.34 -3.31 116.97 118.24 1sm7 h TYR 53 Ca -0.26 -0.23 0.26 0.00 2.58 0.00 0.00 58.73 61.08 1sm7 h TYR 53 Cb 1.64 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.87 1sm7 h TYR 53 CO 0.00 1.29 0.66 -0.56 -1.32 0.00 0.00 178.16 178.23 1sm7 h GLN 54 N 0.05 0.00 -0.03 1.82 3.07 -0.71 0.51 115.11 119.82 1sm7 h GLN 54 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 1sm7 h GLN 54 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.55 1sm7 h GLN 54 CO 0.14 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.45 1sm7 n GLU 55 N -4.22 1.04 -0.01 0.06 1.02 -1.25 -5.01 120.64 112.27 1sm7 n GLU 55 Ca 0.18 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1sm7 n GLU 55 Cb 0.97 -1.02 -0.00 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.44 -0.58 0.10 1.62 2.03 0.18 -3.57 116.55 115.88 1sm7 n ASP 56 Ca 0.01 0.01 0.01 0.00 0.52 0.00 0.00 54.79 55.34 1sm7 n ASP 56 Cb 0.02 -0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.83 -2.40 115.11 117.71 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 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1sm7 h GLN 57 CO 0.00 0.43 0.00 0.28 -1.50 0.00 0.00 178.83 178.04 1sm7 n VAL 58 N -3.09 0.87 -0.00 -0.54 0.31 -1.26 -2.46 118.33 112.16 1sm7 n VAL 58 Ca -0.02 0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.57 1sm7 n VAL 58 Cb 0.78 -1.08 -0.06 0.00 -0.91 0.00 0.00 33.84 32.57 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 0.35 -1.85 0.00 2.07 -1.09 -3.18 116.25 112.56 1sm7 h VAL 60 Ca 0.00 -0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.89 1sm7 h VAL 60 Cb 0.36 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1sm7 h VAL 60 CO 0.00 0.00 0.95 0.00 0.02 0.00 0.00 177.57 178.54 1sm7 n PRO 62 N -0.83 0.16 -0.33 0.00 -0.04 -1.26 -4.74 135.00 127.97 1sm7 n PRO 62 Ca 0.01 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1sm7 n PRO 62 Cb 0.60 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.08 -0.97 0.52 2.02 -1.85 0.39 112.91 113.10 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 0.06 -0.14 0.00 -1.74 0.00 0.00 68.15 66.32 1sm7 h THR 63 CO 0.00 0.00 0.49 0.25 0.37 0.00 0.00 175.52 176.63 1sm7 h LEU 64 N 0.02 0.41 -0.98 2.58 6.46 -1.70 0.26 115.31 122.37 1sm7 h LEU 64 Ca 0.52 0.19 0.32 0.00 -0.12 0.00 0.00 57.88 58.79 1sm7 h LEU 64 Cb 0.96 0.16 -0.16 0.00 -0.73 0.00 0.00 40.66 40.89 1sm7 h LEU 64 CO -0.90 -0.11 0.45 0.50 -0.62 0.00 0.00 178.44 177.75 1sm7 h LYS 65 N 0.33 0.19 0.59 1.25 3.64 -0.54 0.14 116.57 122.16 1sm7 h LYS 65 Ca 0.68 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 60.02 1sm7 h LYS 65 Cb 1.47 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1sm7 h LYS 65 CO -0.60 0.12 -0.29 0.37 -2.27 0.00 0.00 179.45 176.78 1sm7 h GLN 66 N 0.19 -0.78 -0.92 1.90 4.15 -0.57 0.48 115.11 119.57 1sm7 h GLN 66 Ca 0.71 0.05 0.25 0.00 0.77 0.00 0.00 58.65 60.44 1sm7 h GLN 66 Cb 1.66 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 29.48 1sm7 h GLN 66 CO -0.69 -0.52 0.65 0.00 -1.93 0.00 0.00 178.83 176.34 1sm7 h ALA 67 N -0.39 2.67 0.00 3.38 0.00 -1.04 0.12 119.26 124.00 1sm7 h ALA 67 Ca -0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1sm7 h ALA 67 Cb 0.63 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1sm7 h ALA 67 CO 0.12 -0.95 -0.66 0.00 0.00 0.00 0.00 179.25 177.77 1sm7 h ALA 68 N 1.56 0.67 -0.28 0.00 0.00 -0.37 -2.55 119.26 118.30 1sm7 h ALA 68 Ca 0.46 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1sm7 h ALA 68 Cb 1.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1sm7 h ALA 68 CO -0.07 0.66 -0.12 -0.22 0.00 0.00 0.00 179.25 179.50 1sm7 h LYS 69 N 0.00 0.57 -0.84 0.00 1.63 0.27 -2.80 116.57 115.40 1sm7 h LYS 69 Ca -0.03 -0.24 -0.29 0.00 -0.85 0.00 0.00 60.65 59.24 1sm7 h LYS 69 Cb 1.41 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.85 1sm7 h LYS 69 CO 0.06 0.80 0.37 -1.13 -3.45 0.00 0.00 179.45 176.10 1sm7 n SER 70 N -4.45 4.43 0.30 4.20 3.41 -0.90 -4.52 113.62 116.08 1sm7 n SER 70 Ca -0.03 -3.26 0.20 0.00 -0.26 0.00 0.00 58.87 55.52 1sm7 n SER 70 Cb 0.35 -0.76 0.95 0.00 -0.26 0.00 0.00 64.21 64.49 1sm7 n SER 70 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1sm7 h VAL 71 N 2.09 0.00 0.00 -3.33 3.04 -1.17 -3.41 116.25 113.47 1sm7 h VAL 71 Ca 0.36 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 1sm7 h VAL 71 Cb 2.42 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.87 1sm7 h VAL 71 CO 0.81 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.91 1sm7 n ARG 72 N -3.01 0.00 -3.58 4.17 5.12 -1.26 -4.74 116.66 113.36 1sm7 n ARG 72 Ca -0.01 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.76 1sm7 n ARG 72 Cb 0.17 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.40 1sm7 n ARG 72 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sm7 s VAL 73 N 0.00 0.00 -0.99 1.55 1.01 -1.26 -5.10 120.40 115.61 1sm7 s VAL 73 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1sm7 s VAL 73 Cb 0.00 -1.00 0.31 0.00 0.00 0.00 0.00 36.38 35.69 1sm7 s VAL 73 CO 0.00 0.00 1.43 0.00 0.00 0.00 0.00 175.10 176.53 1sm7 n GLN 74 N 1.73 4.37 0.00 2.72 6.02 -1.26 -4.62 117.38 126.34 1sm7 n GLN 74 Ca -0.16 -4.61 0.00 0.00 -0.01 0.00 0.00 57.00 52.22 1sm7 n GLN 74 Cb 0.56 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.36 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 0.90 0.38 1.70 1.08 0.00 -1.26 -5.09 105.19 102.90 1sm7 n GLY 75 Ca 0.31 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 1sm7 n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sm7 n GLN 76 N 0.00 0.57 0.00 1.61 7.27 -1.26 -4.94 117.38 120.63 1sm7 n GLN 76 Ca 0.00 -0.88 0.00 0.00 0.07 0.00 0.00 57.00 56.19 1sm7 n GLN 76 Cb 0.00 0.41 0.00 0.00 2.41 0.00 0.00 30.24 33.06 1sm7 n GLN 76 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1sm7 n HIS 77 N -0.65 0.00 -3.67 3.69 1.44 -1.26 -5.08 115.22 109.68 1sm7 n HIS 77 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1sm7 n HIS 77 Cb 0.71 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.82 1sm7 n HIS 77 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sm7 n GLY 78 N 0.00 0.07 3.55 -1.39 0.00 -1.26 -4.69 105.19 101.47 1sm7 n GLY 78 Ca 0.00 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 2.83 0.15 1.61 0.04 -1.26 -4.15 135.00 134.22 1sm7 s PRO 79 Ca 0.00 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1sm7 s PRO 79 Cb 0.00 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1sm7 s PRO 79 CO 0.00 -2.65 0.00 0.34 0.04 0.00 0.00 177.00 174.73 1sm7 n PHE 80 N 11.81 -2.74 0.01 0.56 7.35 -1.26 -4.98 117.46 128.21 1sm7 n PHE 80 Ca 0.20 0.52 -0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1sm7 n PHE 80 Cb 0.50 1.55 -0.00 0.00 0.35 0.00 0.00 39.48 41.88 1sm7 n PHE 80 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1sm7 h GLN 81 N 0.00 -0.03 -0.63 -4.13 1.08 -1.93 -3.21 115.11 106.25 1sm7 h GLN 81 Ca 0.00 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 1sm7 h GLN 81 Cb 0.00 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.34 1sm7 h GLN 81 CO 0.00 -0.02 -0.25 0.45 -0.95 0.00 0.00 178.83 178.06 1sm7 n SER 82 N -2.08 -0.42 0.00 1.46 2.88 -1.26 0.49 113.62 114.69 1sm7 n SER 82 Ca -0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1sm7 n SER 82 Cb 0.01 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1sm7 n SER 82 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1sm7 n THR 83 N -4.93 0.00 -0.14 2.46 -1.04 -1.22 0.37 114.28 109.78 1sm7 n THR 83 Ca 0.06 1.11 -0.11 0.00 -2.04 0.00 0.00 64.05 63.07 1sm7 n THR 83 Cb 0.25 -1.55 -0.01 0.00 -1.82 0.00 0.00 70.33 67.19 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 0.77 -1.30 -2.82 9.65 -1.16 0.18 114.38 119.70 1sm7 h ARG 84 Ca 0.00 -0.29 0.38 0.00 -1.10 0.00 0.00 59.98 58.97 1sm7 h ARG 84 Cb 0.00 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 28.45 1sm7 h ARG 84 CO 0.00 0.90 0.90 0.82 2.80 0.00 0.00 179.97 185.39 1sm7 h ILE 85 N 0.59 0.31 0.00 1.20 1.08 0.39 0.28 117.51 121.36 1sm7 h ILE 85 Ca 0.11 -0.04 -0.08 0.00 -0.39 0.00 0.00 64.86 64.45 1sm7 h ILE 85 Cb 0.60 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1sm7 h ILE 85 CO 0.04 0.02 -0.86 -1.22 -0.69 0.00 0.00 178.15 175.44 1sm7 n TYR 86 N -4.35 0.81 -0.15 1.37 4.02 0.16 -3.12 117.16 115.90 1sm7 n TYR 86 Ca 0.31 0.35 0.25 0.00 -0.01 0.00 0.00 57.90 58.80 1sm7 n TYR 86 Cb 1.32 -0.84 0.69 0.00 -0.02 0.00 0.00 39.34 40.48 1sm7 n TYR 86 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1sm7 h GLN 87 N -1.00 0.06 0.13 -0.72 4.15 0.02 1.03 115.11 118.77 1sm7 h GLN 87 Ca -0.13 -0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.10 1sm7 h GLN 87 Cb 0.82 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.51 1sm7 h GLN 87 CO -0.08 0.04 -0.84 0.82 -1.93 0.00 0.00 178.83 176.84 1sm7 h ILE 88 N 0.06 1.47 0.00 2.39 2.04 -0.69 -3.27 117.51 119.51 1sm7 h ILE 88 Ca 0.40 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1sm7 h ILE 88 Cb 1.48 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 40.71 1sm7 h ILE 88 CO -0.03 0.71 0.00 0.00 0.00 0.00 0.00 178.15 178.83 1sm7 n ALA 89 N -2.71 2.19 0.04 1.87 0.00 0.40 -2.65 120.51 119.66 1sm7 n ALA 89 Ca -0.15 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 1sm7 n ALA 89 Cb 0.81 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 0.70 -0.49 0.00 3.11 0.90 -3.17 116.57 117.62 1sm7 h LYS 90 Ca 0.00 -0.76 0.00 0.00 -2.81 0.00 0.00 60.65 57.08 1sm7 h LYS 90 Cb 0.03 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1sm7 h LYS 90 CO 0.00 1.33 0.00 0.09 -2.81 0.00 0.00 179.45 178.06 1sm7 n ASN 91 N -3.86 2.60 0.10 4.20 3.02 -1.08 -4.19 115.26 116.04 1sm7 n ASN 91 Ca -0.11 -2.08 -0.04 0.00 -0.03 0.00 0.00 54.58 52.32 1sm7 n ASN 91 Cb 0.88 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 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 2.59 -0.25 -0.33 3.41 3.38 -1.55 -3.04 115.31 119.51 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 0.71 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sm7 h LEU 92 CO 0.04 -0.00 0.00 -0.81 0.09 0.00 0.00 178.44 177.76 1sm7 n PRO 93 N -3.74 0.08 -0.03 1.13 -0.04 -1.26 -0.09 135.00 131.06 1sm7 n PRO 93 Ca -0.04 0.35 -0.17 0.00 -0.04 0.00 0.00 63.50 63.61 1sm7 n PRO 93 Cb 0.11 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.85 0.00 3.54 2.35 -1.73 -2.67 115.58 117.92 1sm7 h ASN 94 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1sm7 h ASN 94 Cb 0.27 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1sm7 h ASN 94 CO 0.00 1.33 -0.94 0.52 -1.65 0.00 0.00 177.43 176.70 1sm7 n VAL 95 N -4.04 0.00 -1.61 2.81 0.31 -0.99 -4.26 118.33 110.56 1sm7 n VAL 95 Ca -0.07 -0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 1sm7 n VAL 95 Cb 0.69 0.98 0.15 0.00 -0.91 0.00 0.00 33.84 34.75 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 -1.01 0.00 -0.75 0.00 3.02 -1.01 -4.76 115.26 110.75 1sm7 n ASN 97 Ca 0.36 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.87 1sm7 n ASN 97 Cb 0.93 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.06 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 0.00 0.00 -3.15 3.52 0.00 -1.26 -5.05 117.12 111.18 1sm7 n MET 98 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 57.70 57.23 1sm7 n MET 98 Cb 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 33.22 33.48 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 0.00 0.50 0.00 3.17 2.36 -1.26 -4.67 119.74 119.84 1sm7 s LYS 99 Ca 0.00 0.59 0.28 0.00 -2.55 0.00 0.00 55.97 54.29 1sm7 s LYS 99 Cb 0.00 0.29 1.08 0.00 -1.05 0.00 0.00 37.83 38.15 1sm7 s LYS 99 CO 0.00 -0.84 1.80 0.94 1.55 0.00 0.00 175.35 178.79 1sm7 n GLN 100 N 5.39 0.17 0.00 4.03 0.00 -1.26 -4.69 117.38 121.02 1sm7 n GLN 100 Ca 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 1sm7 n GLN 100 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.28 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 -1.38 0.00 0.00 1.69 3.06 -1.26 -5.12 119.36 116.35 1sm7 n ILE 101 Ca 0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 1sm7 n ILE 101 Cb 0.32 -0.39 0.00 0.00 0.54 0.00 0.00 39.64 40.11 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 3.43 -0.82 0.04 4.50 0.00 -1.26 -5.07 105.19 106.01 1sm7 n GLY 102 Ca 0.00 0.70 -0.04 0.00 0.00 0.00 0.00 46.02 46.68 1sm7 n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sm7 n THR 103 N 0.00 0.75 -3.28 2.61 -2.24 -1.26 -4.79 114.28 106.06 1sm7 n THR 103 Ca 0.00 0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.85 1sm7 n THR 103 Cb 0.00 -1.94 -0.07 0.00 -2.10 0.00 0.00 70.33 66.22 1sm7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sm7 n PRO 105 N 0.81 1.60 -2.95 0.00 -0.04 -1.26 -4.86 135.00 128.29 1sm7 n PRO 105 Ca 0.27 -0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 62.46 1sm7 n PRO 105 Cb 0.45 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1sm7 n PRO 105 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1sm7 s PHE 106 N 1.81 3.35 -0.29 0.54 -0.71 -1.26 -5.01 117.98 116.40 1sm7 s PHE 106 Ca 0.48 1.10 -0.15 0.00 -1.04 0.00 0.00 56.93 57.31 1sm7 s PHE 106 Cb 0.21 -2.98 0.15 0.00 -1.21 0.00 0.00 43.02 39.20 1sm7 s PHE 106 CO -0.01 -0.32 0.98 0.96 -1.34 0.00 0.00 175.22 175.50 1sm7 s ILE 107 N 2.48 -0.23 0.00 -4.49 -4.36 -1.26 -4.85 121.20 108.49 1sm7 s ILE 107 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.73 1sm7 s ILE 107 Cb -0.16 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.55 1sm7 s ILE 107 CO 0.09 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.27 1sm7 n ALA 108 N 4.27 0.00 0.00 2.27 0.00 -1.26 -5.23 120.51 120.56 1sm7 n ALA 108 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1sm7 n ALA 108 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94