#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 3.21 0.41 -1.09 0.04 -1.26 -4.87 135.00 131.43 1sm7 s PRO 2 Ca 0.00 0.85 0.17 0.00 0.04 0.00 0.00 61.00 62.06 1sm7 s PRO 2 Cb 0.00 -4.19 0.88 0.00 0.04 0.00 0.00 34.50 31.23 1sm7 s PRO 2 CO 0.00 -2.03 1.87 0.37 0.04 0.00 0.00 177.00 177.26 1sm7 h GLN 3 N 12.39 0.00 -1.14 4.56 5.75 -2.02 -2.66 115.11 131.99 1sm7 h GLN 3 Ca -0.29 0.00 0.37 0.00 -0.15 0.00 0.00 58.65 58.58 1sm7 h GLN 3 Cb 1.13 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.55 1sm7 h GLN 3 CO 1.13 0.31 0.70 -0.22 -2.65 0.00 0.00 178.83 178.10 1sm7 h LYS 4 N 0.00 0.21 -0.65 1.69 3.11 -1.95 0.32 116.57 119.30 1sm7 h LYS 4 Ca -0.00 -0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.95 1sm7 h LYS 4 Cb 0.60 -0.05 -0.10 0.00 -1.00 0.00 0.00 32.23 31.69 1sm7 h LYS 4 CO 0.04 0.14 0.11 0.00 -2.81 0.00 0.00 179.45 176.93 1sm7 h GLN 6 N 0.23 0.57 -0.58 0.00 1.08 -0.43 0.38 115.11 116.36 1sm7 h GLN 6 Ca 0.35 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1sm7 h GLN 6 Cb 0.55 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1sm7 h GLN 6 CO -0.46 0.38 0.00 0.54 -0.95 0.00 0.00 178.83 178.33 1sm7 n ARG 7 N -4.90 0.99 -0.01 1.46 1.74 0.59 -3.50 116.66 113.03 1sm7 n ARG 7 Ca 0.20 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.28 1sm7 n ARG 7 Cb 0.52 -1.29 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 1sm7 n ARG 7 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sm7 n GLU 8 N -0.20 1.26 -0.03 5.56 1.02 0.13 -3.83 120.64 124.55 1sm7 n GLU 8 Ca 0.00 -0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 1sm7 n GLU 8 Cb 0.15 -1.14 -0.13 0.00 -0.02 0.00 0.00 31.44 30.30 1sm7 n GLU 8 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sm7 h PHE 9 N 0.00 0.20 0.00 -0.32 3.04 -1.51 -3.29 116.94 115.05 1sm7 h PHE 9 Ca -0.05 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.77 1sm7 h PHE 9 Cb 0.66 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.15 1sm7 h PHE 9 CO 0.00 1.03 -0.75 0.94 -2.02 0.00 0.00 178.31 177.52 1sm7 n GLN 10 N -4.48 0.25 -0.25 1.11 7.27 -1.25 -1.26 117.38 118.77 1sm7 n GLN 10 Ca -0.11 0.04 -0.03 0.00 0.07 0.00 0.00 57.00 56.97 1sm7 n GLN 10 Cb 0.56 -1.63 0.03 0.00 2.41 0.00 0.00 30.24 31.61 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 -0.10 0.00 3.69 -0.00 -1.66 -3.41 115.11 113.63 1sm7 h GLN 11 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1sm7 h GLN 11 Cb 0.70 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.21 1sm7 h GLN 11 CO 0.00 -0.07 0.00 -0.85 0.00 0.00 0.00 178.83 177.91 1sm7 n GLU 12 N -5.45 0.00 -2.67 1.69 0.28 -1.26 -5.04 120.64 108.19 1sm7 n GLU 12 Ca 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 1sm7 n GLU 12 Cb 0.37 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.34 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 0.18 0.00 3.44 7.27 -1.20 -5.12 117.38 121.96 1sm7 n GLN 13 Ca 0.00 -0.76 0.00 0.00 0.07 0.00 0.00 57.00 56.31 1sm7 n GLN 13 Cb 0.00 -0.22 0.00 0.00 2.41 0.00 0.00 30.24 32.43 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 0.82 -0.21 -4.19 3.69 8.25 -0.39 -4.67 115.22 118.53 1sm7 n HIS 14 Ca -0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.18 1sm7 n HIS 14 Cb 0.74 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.77 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 3.09 0.00 2.41 2.01 -1.26 -5.02 118.68 119.91 1sm7 s LEU 15 Ca 0.00 -1.08 0.00 0.00 0.01 0.00 0.00 54.13 53.06 1sm7 s LEU 15 Cb 0.00 -1.40 0.00 0.00 0.01 0.00 0.00 46.19 44.80 1sm7 s LEU 15 CO 0.00 -0.50 0.00 0.54 1.01 0.00 0.00 176.35 177.40 1sm7 n ARG 16 N -1.19 0.00 0.06 1.70 1.74 -1.26 -4.67 116.66 113.05 1sm7 n ARG 16 Ca -0.02 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1sm7 n ARG 16 Cb 0.64 0.00 0.06 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 -2.11 0.25 -0.08 7.54 0.00 -1.26 0.35 120.51 125.20 1sm7 n ALA 17 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1sm7 n ALA 17 Cb 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -2.84 2.30 0.00 0.00 10.64 0.15 -4.37 117.38 123.26 1sm7 n GLN 19 Ca -0.28 -3.12 0.00 0.00 -1.83 0.00 0.00 57.00 51.77 1sm7 n GLN 19 Cb 0.87 -2.15 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 1sm7 n GLN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1sm7 n GLN 20 N -1.09 0.00 -0.10 2.61 -0.00 0.14 -4.68 117.38 114.24 1sm7 n GLN 20 Ca 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.55 1sm7 n GLN 20 Cb 1.38 -0.46 0.23 0.00 -0.00 0.00 0.00 30.24 31.40 1sm7 n GLN 20 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 1sm7 h TRP 21 N 0.00 0.78 0.00 2.61 5.08 -1.73 0.25 115.95 122.94 1sm7 h TRP 21 Ca 0.00 -0.06 -0.00 0.00 1.08 0.00 0.00 58.89 59.91 1sm7 h TRP 21 Cb 0.00 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 25.93 1sm7 h TRP 21 CO 0.00 0.65 -0.01 0.82 -1.28 0.00 0.00 178.44 178.63 1sm7 h ILE 22 N 0.74 0.07 0.00 0.12 2.04 -1.88 0.15 117.51 118.75 1sm7 h ILE 22 Ca 0.17 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1sm7 h ILE 22 Cb 0.26 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1sm7 h ILE 22 CO -0.00 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.69 1sm7 n ARG 23 N -3.16 0.39 0.10 2.37 5.12 0.87 -3.00 116.66 119.34 1sm7 n ARG 23 Ca -0.02 0.03 0.12 0.00 -1.93 0.00 0.00 57.85 56.05 1sm7 n ARG 23 Cb 0.14 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.03 1sm7 n ARG 23 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1sm7 h GLN 24 N 0.00 0.00 0.00 5.56 -0.00 -0.63 -3.29 115.11 116.75 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 0.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.73 1sm7 h GLN 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 178.83 179.77 1sm7 n GLN 25 N -2.49 0.77 -4.28 1.69 0.00 -1.16 -4.74 117.38 107.16 1sm7 n GLN 25 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.00 56.78 1sm7 n GLN 25 Cb 0.50 -1.41 -0.12 0.00 0.00 0.00 0.00 30.24 29.20 1sm7 n GLN 25 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1sm7 s LEU 26 N -1.83 2.30 -0.26 1.69 2.34 -1.24 -5.03 118.68 116.65 1sm7 s LEU 26 Ca 0.30 -0.68 -0.01 0.00 0.06 0.00 0.00 54.13 53.80 1sm7 s LEU 26 Cb 0.14 -0.85 0.14 0.00 -0.56 0.00 0.00 46.19 45.06 1sm7 s LEU 26 CO 0.23 0.05 2.15 0.00 -1.06 0.00 0.00 176.35 177.72 1sm7 n ALA 27 N 1.10 5.09 -1.66 1.48 0.00 -1.26 -4.14 120.51 121.12 1sm7 n ALA 27 Ca -0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 53.44 51.74 1sm7 n ALA 27 Cb 0.54 -1.41 0.17 0.00 0.00 0.00 0.00 19.45 18.75 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 0.68 5.35 2.55 0.00 0.00 -1.26 -4.91 105.19 107.61 1sm7 n GLY 28 Ca 0.27 -1.55 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 1sm7 n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sm7 s SER 29 N -3.23 2.46 1.12 1.61 0.15 -1.26 -5.09 113.70 109.47 1sm7 s SER 29 Ca 0.41 -2.00 -0.18 0.00 0.70 0.00 0.00 55.95 54.88 1sm7 s SER 29 Cb 0.38 -0.12 0.25 0.00 -1.71 0.00 0.00 66.02 64.82 1sm7 s SER 29 CO -0.04 -0.30 1.15 -2.16 1.20 0.00 0.00 173.24 173.09 1sm7 s PRO 30 N 1.19 -0.61 0.02 5.44 0.04 -1.26 -5.09 135.00 134.72 1sm7 s PRO 30 Ca 0.18 -0.08 -0.07 0.00 0.04 0.00 0.00 61.00 61.07 1sm7 s PRO 30 Cb -0.21 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 1sm7 s PRO 30 CO -0.01 -3.31 0.12 -0.06 0.04 0.00 0.00 177.00 173.79 1sm7 s PHE 31 N -3.20 0.11 -0.12 0.56 0.08 -1.26 -5.05 117.98 109.10 1sm7 s PHE 31 Ca 0.71 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 57.48 1sm7 s PHE 31 Cb -0.09 -0.09 0.08 0.00 -0.57 0.00 0.00 43.02 42.35 1sm7 s PHE 31 CO 0.55 -0.33 0.79 0.45 -0.10 0.00 0.00 175.22 176.58 1sm7 n SER 32 N 1.11 -0.48 -0.61 1.36 2.88 -1.26 -5.16 113.62 111.46 1sm7 n SER 32 Ca -0.21 -1.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 1sm7 n SER 32 Cb 0.57 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 1sm7 n SER 32 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sm7 n GLU 33 N -0.36 0.00 -0.89 -1.46 2.13 -1.26 -5.15 120.64 113.65 1sm7 n GLU 33 Ca -0.08 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.39 1sm7 n GLU 33 Cb 0.59 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.39 1sm7 n GLU 33 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1sm7 n ASN 34 N -0.22 -3.92 -4.64 4.31 4.13 -1.26 -4.75 115.26 108.90 1sm7 n ASN 34 Ca 0.00 0.24 -0.51 0.00 1.68 0.00 0.00 54.58 56.00 1sm7 n ASN 34 Cb 0.00 -0.98 -0.06 0.00 -1.54 0.00 0.00 39.78 37.20 1sm7 n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sm7 n GLN 35 N 0.29 1.69 0.30 3.52 10.64 -1.26 -4.79 117.38 127.76 1sm7 n GLN 35 Ca 0.02 0.59 0.17 0.00 -1.83 0.00 0.00 57.00 55.95 1sm7 n GLN 35 Cb 0.55 -2.50 0.91 0.00 -0.86 0.00 0.00 30.24 28.35 1sm7 n GLN 35 CO 0.00 0.00 0.00 2.35 -1.83 0.00 0.00 177.06 177.58 1sm7 h TRP 36 N 9.66 0.00 0.00 2.61 2.91 -1.99 -3.46 115.95 125.67 1sm7 h TRP 36 Ca -0.43 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1sm7 h TRP 36 Cb 1.29 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 1sm7 h TRP 36 CO 0.87 0.04 0.00 0.41 -1.03 0.00 0.00 178.44 178.74 1sm7 n GLY 37 N -0.86 3.31 2.64 2.65 0.00 -1.26 -5.01 105.19 106.67 1sm7 n GLY 37 Ca -0.02 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 1sm7 n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 38 N 0.00 2.68 -0.28 1.61 -0.04 -1.09 -4.55 135.00 133.33 1sm7 n PRO 38 Ca 0.00 -2.06 -0.03 0.00 -0.04 0.00 0.00 63.50 61.38 1sm7 n PRO 38 Cb 0.00 -2.86 0.03 0.00 -0.04 0.00 0.00 33.50 30.63 1sm7 n PRO 38 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1sm7 h GLN 39 N 6.11 -0.08 -0.00 0.54 4.20 -1.95 -2.63 115.11 121.30 1sm7 h GLN 39 Ca 0.62 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.34 1sm7 h GLN 39 Cb 0.41 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1sm7 h GLN 39 CO 1.76 -0.06 -0.17 1.04 -0.67 0.00 0.00 178.83 180.74 1sm7 n GLN 40 N -5.46 3.92 0.00 1.46 6.02 -1.26 -5.03 117.38 117.04 1sm7 n GLN 40 Ca 0.07 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1sm7 n GLN 40 Cb 0.38 -0.83 0.00 0.00 1.02 0.00 0.00 30.24 30.81 1sm7 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sm7 n GLY 41 N 0.91 3.34 0.00 1.08 0.00 -0.99 -4.88 105.19 104.65 1sm7 n GLY 41 Ca 0.02 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.15 1sm7 n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sm7 n PRO 42 N 0.00 0.64 -2.37 1.61 -0.04 -1.26 -4.23 135.00 129.35 1sm7 n PRO 42 Ca 0.00 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1sm7 n PRO 42 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1sm7 n PRO 42 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sm7 n SER 43 N -1.04 5.17 0.00 3.54 7.64 -1.26 -3.64 113.62 124.03 1sm7 n SER 43 Ca 0.16 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.91 1sm7 n SER 43 Cb 0.09 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 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 3.69 0.00 0.21 -3.43 4.77 -1.26 -2.68 117.00 118.30 1sm7 n LEU 44 Ca 0.39 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1sm7 n LEU 44 Cb 0.36 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.21 1sm7 n LEU 44 CO 0.81 0.00 0.93 0.03 -1.33 0.00 0.00 177.39 177.83 1sm7 h ARG 45 N 0.00 0.00 0.05 3.23 -0.00 -1.85 0.48 114.38 116.29 1sm7 h ARG 45 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.16 1sm7 h ARG 45 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.94 1sm7 h ARG 45 CO 0.00 0.00 -1.77 0.39 0.00 0.00 0.00 179.97 178.59 1sm7 n GLU 46 N -2.48 0.66 -0.05 0.04 1.02 -1.26 -2.86 120.64 115.70 1sm7 n GLU 46 Ca -0.02 0.39 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1sm7 n GLU 46 Cb 0.05 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 29.71 1sm7 n GLU 46 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1sm7 h GLN 47 N -0.48 0.84 -0.47 3.49 4.20 -1.73 -2.31 115.11 118.64 1sm7 h GLN 47 Ca -0.43 -0.62 -0.13 0.00 0.06 0.00 0.00 58.65 57.54 1sm7 h GLN 47 Cb 1.68 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.56 1sm7 h GLN 47 CO -0.09 1.23 -0.22 0.00 -0.67 0.00 0.00 178.83 179.08 1sm7 n ASN 50 N -1.56 0.91 -0.00 0.00 5.03 -0.57 -3.99 115.26 115.09 1sm7 n ASN 50 Ca 0.02 -0.63 0.07 0.00 0.87 0.00 0.00 54.58 54.91 1sm7 n ASN 50 Cb 0.09 1.15 -0.09 0.00 -1.02 0.00 0.00 39.78 39.91 1sm7 n ASN 50 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1sm7 n GLU 51 N -1.47 1.86 -0.02 3.52 0.28 0.57 -3.93 120.64 121.45 1sm7 n GLU 51 Ca 0.01 -0.03 0.07 0.00 -0.16 0.00 0.00 57.16 57.05 1sm7 n GLU 51 Cb 0.25 -1.21 -0.15 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.50 0.00 -0.85 -1.84 -0.00 0.17 -4.33 117.00 108.65 1sm7 n LEU 52 Ca 0.01 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.09 1sm7 n LEU 52 Cb 0.26 0.06 0.21 0.00 -0.00 0.00 0.00 43.42 43.95 1sm7 n LEU 52 CO 0.29 0.06 0.67 0.00 -0.00 0.00 0.00 177.39 178.42 1sm7 n TYR 53 N -2.25 0.68 -0.04 1.47 4.19 -1.26 -4.35 117.16 115.60 1sm7 n TYR 53 Ca -0.07 -0.56 -0.13 0.00 3.31 0.00 0.00 57.90 60.45 1sm7 n TYR 53 Cb 0.60 -0.08 -0.14 0.00 0.49 0.00 0.00 39.34 40.21 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 0.59 0.68 -0.26 2.98 10.64 -1.25 -4.10 117.38 126.66 1sm7 n GLN 54 Ca 0.16 0.22 0.03 0.00 -1.83 0.00 0.00 57.00 55.57 1sm7 n GLN 54 Cb 0.55 -1.69 0.13 0.00 -0.86 0.00 0.00 30.24 28.36 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 -3.13 2.12 0.00 2.61 1.02 -1.26 -5.01 120.64 116.99 1sm7 n GLU 55 Ca -0.27 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 1sm7 n GLU 55 Cb 1.06 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.21 0.00 0.11 1.62 2.03 -1.26 -3.67 116.55 115.58 1sm7 n ASP 56 Ca 0.09 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.47 1sm7 n ASP 56 Cb 0.48 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.90 -3.27 115.11 116.77 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 0.16 0.00 0.28 -1.50 0.00 0.00 178.83 177.77 1sm7 n VAL 58 N -2.89 0.05 -0.62 -0.54 0.31 -1.26 -1.74 118.33 111.64 1sm7 n VAL 58 Ca -0.02 0.01 0.06 0.00 -0.01 0.00 0.00 64.34 64.38 1sm7 n VAL 58 Cb 0.66 -0.62 0.08 0.00 -0.91 0.00 0.00 33.84 33.05 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 -1.05 0.18 -3.60 0.00 0.31 -0.71 -4.39 118.33 109.08 1sm7 n VAL 60 Ca 0.09 -0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 64.03 1sm7 n VAL 60 Cb 0.48 0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.30 0.68 -0.38 0.00 -0.04 -1.26 -4.82 135.00 129.48 1sm7 n PRO 62 Ca -0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1sm7 n PRO 62 Cb 0.59 -1.17 0.05 0.00 -0.04 0.00 0.00 33.50 32.92 1sm7 n PRO 62 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sm7 n THR 63 N -0.67 -0.51 -0.35 0.52 -2.24 -1.26 0.29 114.28 110.06 1sm7 n THR 63 Ca 0.06 2.30 0.12 0.00 -2.27 0.00 0.00 64.05 64.25 1sm7 n THR 63 Cb 0.03 -3.05 0.32 0.00 -2.10 0.00 0.00 70.33 65.52 1sm7 n THR 63 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sm7 h LEU 64 N 0.00 0.80 -0.85 3.22 3.38 -1.76 0.26 115.31 120.35 1sm7 h LEU 64 Ca 0.36 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.71 1sm7 h LEU 64 Cb 0.60 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 1sm7 h LEU 64 CO -0.98 0.33 0.26 1.17 0.09 0.00 0.00 178.44 179.31 1sm7 n LYS 65 N -4.70 -0.06 0.00 1.13 0.00 0.15 0.11 118.16 114.78 1sm7 n LYS 65 Ca 0.22 1.22 -0.00 0.00 0.00 0.00 0.00 58.31 59.75 1sm7 n LYS 65 Cb 0.52 -2.08 -0.00 0.00 0.00 0.00 0.00 35.03 33.48 1sm7 n LYS 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1sm7 h GLN 66 N 0.00 -0.01 -0.03 1.64 7.50 -0.56 0.52 115.11 124.18 1sm7 h GLN 66 Ca 0.63 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.79 1sm7 h GLN 66 Cb 1.53 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.06 1sm7 h GLN 66 CO -0.72 -0.01 0.17 0.00 -1.50 0.00 0.00 178.83 176.77 1sm7 h ALA 67 N -1.96 1.26 0.00 3.87 0.00 -1.26 0.49 119.26 121.67 1sm7 h ALA 67 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sm7 h ALA 67 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sm7 h ALA 67 CO 0.00 -0.18 -0.59 0.00 0.00 0.00 0.00 179.25 178.48 1sm7 h ALA 68 N 1.70 0.69 0.00 0.00 0.00 0.87 -1.84 119.26 120.68 1sm7 h ALA 68 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1sm7 h ALA 68 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1sm7 h ALA 68 CO -0.00 0.00 -1.72 1.17 0.00 0.00 0.00 179.25 178.70 1sm7 n LYS 69 N -2.68 0.56 -0.23 0.00 3.00 0.18 -4.19 118.16 114.80 1sm7 n LYS 69 Ca 0.02 0.35 0.02 0.00 -0.00 0.00 0.00 58.31 58.70 1sm7 n LYS 69 Cb 0.52 -1.55 0.10 0.00 0.00 0.00 0.00 35.03 34.10 1sm7 n LYS 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1sm7 n SER 70 N -4.37 2.17 0.33 3.14 2.88 0.14 -4.25 113.62 113.66 1sm7 n SER 70 Ca -0.36 -2.23 0.20 0.00 -1.33 0.00 0.00 58.87 55.15 1sm7 n SER 70 Cb 0.70 -0.53 1.09 0.00 -0.75 0.00 0.00 64.21 64.71 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 1.02 0.03 0.00 2.46 3.04 -1.48 -3.36 116.25 117.96 1sm7 h VAL 71 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1sm7 h VAL 71 Cb 0.86 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1sm7 h VAL 71 CO 0.12 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.22 1sm7 n ARG 72 N -3.07 0.00 -3.68 4.17 1.74 -1.26 -4.74 116.66 109.82 1sm7 n ARG 72 Ca -0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.91 1sm7 n ARG 72 Cb 0.17 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.54 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 0.04 -0.09 1.55 1.01 -1.26 -5.17 120.40 116.48 1sm7 s VAL 73 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1sm7 s VAL 73 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1sm7 s VAL 73 CO 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 175.10 174.79 1sm7 s GLN 74 N -1.37 2.90 0.00 2.72 -2.07 -1.26 -4.67 119.66 115.91 1sm7 s GLN 74 Ca -0.12 -0.69 0.00 0.00 -1.82 0.00 0.00 55.36 52.73 1sm7 s GLN 74 Cb -0.03 -2.50 0.00 0.00 -1.09 0.00 0.00 33.01 29.39 1sm7 s GLN 74 CO 0.06 0.44 0.00 0.41 -1.32 0.00 0.00 175.29 174.88 1sm7 n GLY 75 N 2.85 2.76 2.85 2.60 0.00 -1.26 -4.86 105.19 110.13 1sm7 n GLY 75 Ca -0.18 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 4.40 -3.31 1.61 10.64 -1.26 -4.88 117.38 124.58 1sm7 n GLN 76 Ca 0.00 -4.61 0.03 0.00 -1.83 0.00 0.00 57.00 50.59 1sm7 n GLN 76 Cb 0.00 -2.46 -0.03 0.00 -0.86 0.00 0.00 30.24 26.89 1sm7 n GLN 76 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1sm7 s HIS 77 N -3.12 -0.87 0.00 2.61 2.46 -1.26 -4.94 115.29 110.17 1sm7 s HIS 77 Ca 0.35 1.21 0.00 0.00 0.47 0.00 0.00 55.06 57.09 1sm7 s HIS 77 Cb 0.10 0.41 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 1sm7 s HIS 77 CO 0.03 -0.46 0.00 0.41 -2.47 0.00 0.00 174.74 172.26 1sm7 n GLY 78 N 5.25 1.51 3.57 1.59 0.00 -1.26 -5.00 105.19 110.85 1sm7 n GLY 78 Ca -0.07 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 2.72 3.13 0.10 1.61 0.04 -1.26 -4.23 135.00 137.11 1sm7 s PRO 79 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1sm7 s PRO 79 Cb 0.00 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1sm7 s PRO 79 CO 0.00 -2.14 0.00 0.34 0.04 0.00 0.00 177.00 175.24 1sm7 n PHE 80 N 10.50 -2.20 0.06 0.56 7.35 -1.26 -4.99 117.46 127.47 1sm7 n PHE 80 Ca 0.16 0.34 -0.09 0.00 -0.76 0.00 0.00 57.45 57.10 1sm7 n PHE 80 Cb 0.50 1.08 -0.06 0.00 0.35 0.00 0.00 39.48 41.35 1sm7 n PHE 80 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1sm7 h GLN 81 N 0.00 -0.23 -0.99 -4.13 5.75 -1.98 -3.28 115.11 110.26 1sm7 h GLN 81 Ca 0.00 0.02 0.28 0.00 -0.15 0.00 0.00 58.65 58.79 1sm7 h GLN 81 Cb 0.00 0.05 -0.18 0.00 1.07 0.00 0.00 27.48 28.42 1sm7 h GLN 81 CO 0.00 0.11 0.06 0.77 -2.65 0.00 0.00 178.83 177.13 1sm7 h SER 82 N -0.96 -0.42 0.00 -0.69 0.02 -1.94 0.46 113.55 110.02 1sm7 h SER 82 Ca -0.02 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1sm7 h SER 82 Cb 0.45 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1sm7 h SER 82 CO 0.04 -0.36 0.00 0.41 -1.14 0.00 0.00 176.83 175.78 1sm7 n THR 83 N -5.47 0.00 -0.03 -2.27 -1.04 -1.24 0.15 114.28 104.39 1sm7 n THR 83 Ca 0.24 1.37 -0.13 0.00 -2.04 0.00 0.00 64.05 63.49 1sm7 n THR 83 Cb 0.79 -1.87 -0.10 0.00 -1.82 0.00 0.00 70.33 67.33 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 0.05 -0.89 -2.82 9.65 -1.32 -1.10 114.38 117.95 1sm7 h ARG 84 Ca 0.00 -0.03 0.14 0.00 -1.10 0.00 0.00 59.98 58.98 1sm7 h ARG 84 Cb 0.00 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.44 1sm7 h ARG 84 CO 0.00 0.61 -0.36 -0.89 2.80 0.00 0.00 179.97 182.13 1sm7 n ILE 85 N -4.77 -0.48 -0.02 1.20 2.08 0.15 0.75 119.36 118.28 1sm7 n ILE 85 Ca -0.08 2.10 -0.13 0.00 0.56 0.00 0.00 62.75 65.19 1sm7 n ILE 85 Cb 0.31 -2.76 -0.09 0.00 -0.75 0.00 0.00 39.64 36.35 1sm7 n ILE 85 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1sm7 h TYR 86 N 0.00 0.11 -0.39 1.39 -1.99 -0.29 0.12 116.97 115.93 1sm7 h TYR 86 Ca 0.30 -0.03 0.11 0.00 2.00 0.00 0.00 58.73 61.12 1sm7 h TYR 86 Cb 0.53 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 1sm7 h TYR 86 CO -0.79 0.48 0.28 0.37 -0.00 0.00 0.00 178.16 178.50 1sm7 h GLN 87 N -0.28 0.00 0.07 4.88 4.15 0.55 0.16 115.11 124.64 1sm7 h GLN 87 Ca 0.01 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.15 1sm7 h GLN 87 Cb 0.44 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1sm7 h GLN 87 CO 0.01 0.00 -1.49 0.82 -1.93 0.00 0.00 178.83 176.23 1sm7 h ILE 88 N 0.00 1.16 0.00 2.39 2.04 0.57 -3.09 117.51 120.59 1sm7 h ILE 88 Ca 0.19 -2.88 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1sm7 h ILE 88 Cb 0.75 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1sm7 h ILE 88 CO -0.00 0.77 0.00 0.00 0.00 0.00 0.00 178.15 178.92 1sm7 n ALA 89 N -2.59 2.52 0.11 1.87 0.00 0.01 -2.86 120.51 119.56 1sm7 n ALA 89 Ca -0.14 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.15 1sm7 n ALA 89 Cb 1.02 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 0.00 -0.06 0.00 3.11 -0.67 -3.16 116.57 115.79 1sm7 h LYS 90 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1sm7 h LYS 90 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1sm7 h LYS 90 CO 0.00 0.54 0.00 0.09 -2.81 0.00 0.00 179.45 177.27 1sm7 n ASN 91 N -3.20 2.08 0.04 4.20 4.13 -1.14 -4.11 115.26 117.27 1sm7 n ASN 91 Ca -0.00 -1.70 -0.12 0.00 1.68 0.00 0.00 54.58 54.44 1sm7 n ASN 91 Cb 0.78 -0.03 -0.09 0.00 -1.54 0.00 0.00 39.78 38.91 1sm7 n ASN 91 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1sm7 h LEU 92 N 3.16 -0.13 0.00 3.41 3.38 -1.65 -2.93 115.31 120.55 1sm7 h LEU 92 Ca 0.00 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1sm7 h LEU 92 Cb 0.68 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sm7 h LEU 92 CO 0.00 0.37 0.00 -0.81 0.09 0.00 0.00 178.44 178.09 1sm7 n PRO 93 N -4.93 0.62 -0.05 1.13 -0.04 -1.26 0.55 135.00 131.03 1sm7 n PRO 93 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1sm7 n PRO 93 Cb 0.26 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.21 -0.01 3.54 -0.26 -1.73 -3.21 115.58 114.12 1sm7 h ASN 94 Ca 0.00 -0.73 0.00 0.00 -0.56 0.00 0.00 56.30 55.01 1sm7 h ASN 94 Cb 0.01 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1sm7 h ASN 94 CO 0.00 1.62 -0.56 0.52 -1.06 0.00 0.00 177.43 177.95 1sm7 n VAL 95 N -4.04 0.00 -2.10 2.81 0.31 -1.11 -4.36 118.33 109.83 1sm7 n VAL 95 Ca -0.30 -0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 63.65 1sm7 n VAL 95 Cb 0.83 1.11 0.05 0.00 -0.91 0.00 0.00 33.84 34.93 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 -0.71 -0.33 -0.13 0.00 3.02 -1.21 -4.50 115.26 111.39 1sm7 n ASN 97 Ca 0.34 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1sm7 n ASN 97 Cb 0.91 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 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 2.30 3.50 -0.20 3.52 0.00 -1.26 -4.94 117.12 120.04 1sm7 n MET 98 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.94 1sm7 n MET 98 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.26 1sm7 n MET 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1sm7 n LYS 99 N 0.00 0.00 0.11 3.17 0.00 -1.26 -4.73 118.16 115.44 1sm7 n LYS 99 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.11 1sm7 n LYS 99 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 1sm7 n LYS 99 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1sm7 h GLN 100 N 0.04 0.37 -0.89 1.64 -0.00 -1.94 -3.30 115.11 111.02 1sm7 h GLN 100 Ca 0.00 -0.63 0.08 0.00 -0.00 0.00 0.00 58.65 58.10 1sm7 h GLN 100 Cb 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 27.48 27.61 1sm7 h GLN 100 CO 0.00 1.28 -0.52 1.51 0.00 0.00 0.00 178.83 181.09 1sm7 n ILE 101 N -3.58 -0.60 0.00 2.39 3.06 -1.26 -4.90 119.36 114.46 1sm7 n ILE 101 Ca -0.14 2.18 0.00 0.00 -2.50 0.00 0.00 62.75 62.28 1sm7 n ILE 101 Cb 1.06 -2.69 0.00 0.00 0.54 0.00 0.00 39.64 38.55 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 -1.22 0.82 0.09 4.50 0.00 -1.24 -5.11 105.19 103.02 1sm7 n GLY 102 Ca 0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 1.21 -3.13 2.61 -1.04 -1.26 -4.83 114.28 107.84 1sm7 n THR 103 Ca 0.00 0.21 -0.22 0.00 -2.04 0.00 0.00 64.05 62.00 1sm7 n THR 103 Cb 0.00 -2.17 -0.04 0.00 -1.82 0.00 0.00 70.33 66.30 1sm7 n THR 103 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sm7 s PRO 105 N -2.64 2.72 0.00 0.00 0.04 -1.26 -4.70 135.00 129.15 1sm7 s PRO 105 Ca 0.42 -1.19 0.07 0.00 0.04 0.00 0.00 61.00 60.35 1sm7 s PRO 105 Cb 0.29 -5.27 0.31 0.00 0.04 0.00 0.00 34.50 29.87 1sm7 s PRO 105 CO -0.10 -3.67 1.22 1.97 0.04 0.00 0.00 177.00 176.46 1sm7 n PHE 106 N 13.46 0.12 -0.33 0.56 -1.74 -1.26 -4.06 117.46 124.21 1sm7 n PHE 106 Ca 0.45 -0.06 0.00 0.00 -0.56 0.00 0.00 57.45 57.28 1sm7 n PHE 106 Cb 0.47 0.00 0.17 0.00 1.52 0.00 0.00 39.48 41.64 1sm7 n PHE 106 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1sm7 h ILE 107 N 0.63 1.19 0.00 1.97 3.07 -1.92 -3.21 117.51 119.23 1sm7 h ILE 107 Ca 0.00 -0.41 -0.40 0.00 1.55 0.00 0.00 64.86 65.59 1sm7 h ILE 107 Cb 0.14 -0.13 0.02 0.00 -0.27 0.00 0.00 36.82 36.58 1sm7 h ILE 107 CO 0.00 0.22 2.64 0.00 -1.05 0.00 0.00 178.15 179.96 1sm7 n ALA 108 N -2.39 4.72 0.83 0.16 0.00 -1.26 -4.93 120.51 117.64 1sm7 n ALA 108 Ca 0.12 -2.10 0.10 0.00 0.00 0.00 0.00 53.44 51.56 1sm7 n ALA 108 Cb 0.07 -3.04 0.08 0.00 0.00 0.00 0.00 19.45 16.57 1sm7 n ALA 108 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94