#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1na0 n SER 8 N 0.00 0.55 -0.09 6.41 7.64 -1.26 -3.26 113.62 123.62 1na0 n SER 8 Ca 0.00 0.63 -0.09 0.00 1.01 0.00 0.00 58.87 60.42 1na0 n SER 8 Cb 0.00 -0.75 -0.01 0.00 -1.01 0.00 0.00 64.21 62.44 1na0 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1na0 h ALA 9 N 2.33 0.39 -0.65 -0.43 0.00 -1.91 -0.71 119.26 118.28 1na0 h ALA 9 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1na0 h ALA 9 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1na0 h ALA 9 CO 0.00 -0.14 0.08 1.49 0.00 0.00 0.00 179.25 180.68 1na0 h GLU 10 N 0.42 1.09 -0.72 0.00 4.81 -1.90 -0.84 114.58 117.44 1na0 h GLU 10 Ca 0.11 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1na0 h GLU 10 Cb -0.05 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 1na0 h GLU 10 CO -0.03 1.02 0.44 0.00 -0.73 0.00 0.00 179.01 179.71 1na0 h ALA 11 N 1.03 1.42 -0.24 2.92 0.00 -1.55 0.23 119.26 123.07 1na0 h ALA 11 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1na0 h ALA 11 Cb 0.47 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1na0 h ALA 11 CO 0.02 0.51 -0.17 -1.49 0.00 0.00 0.00 179.25 178.11 1na0 h TRP 12 N 0.99 0.63 -0.30 0.00 4.06 -0.72 -1.84 115.95 118.76 1na0 h TRP 12 Ca 0.26 -0.17 0.04 0.00 2.06 0.00 0.00 58.89 61.08 1na0 h TRP 12 Cb -0.05 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 27.93 1na0 h TRP 12 CO 0.00 0.84 0.07 -0.92 -3.56 0.00 0.00 178.44 174.87 1na0 h TYR 13 N 0.24 0.12 -0.90 0.49 3.20 -0.81 0.25 116.97 119.55 1na0 h TYR 13 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1na0 h TYR 13 Cb 0.71 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 1na0 h TYR 13 CO 0.07 0.03 0.59 -0.91 -1.64 0.00 0.00 178.16 176.30 1na0 h ASN 14 N 0.18 0.99 -0.38 -2.11 -0.26 -0.90 -1.00 115.58 112.11 1na0 h ASN 14 Ca 0.14 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 1na0 h ASN 14 Cb 0.14 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1na0 h ASN 14 CO -0.18 0.70 0.17 0.25 -1.06 0.00 0.00 177.43 177.31 1na0 h LEU 15 N 1.17 0.51 -0.55 1.61 5.85 -0.83 -1.91 115.31 121.16 1na0 h LEU 15 Ca 0.35 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1na0 h LEU 15 Cb -0.06 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 1na0 h LEU 15 CO -0.10 0.52 0.13 1.23 -0.34 0.00 0.00 178.44 179.88 1na0 h GLY 16 N 0.47 0.71 0.99 3.75 0.00 -0.56 -2.17 103.07 106.26 1na0 h GLY 16 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1na0 h GLY 16 CO -0.01 -0.07 0.32 3.43 0.00 0.00 0.00 176.54 180.21 1na0 h ASN 17 N 0.28 0.72 -0.44 0.19 -0.26 -0.99 0.88 115.58 115.96 1na0 h ASN 17 Ca 0.28 -0.09 0.06 0.00 -0.56 0.00 0.00 56.30 55.99 1na0 h ASN 17 Cb 0.38 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 37.41 1na0 h ASN 17 CO -0.34 0.61 0.16 0.00 -1.06 0.00 0.00 177.43 176.79 1na0 h ALA 18 N 1.15 0.53 -0.28 -0.83 0.00 -0.89 -0.85 119.26 118.10 1na0 h ALA 18 Ca 0.21 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1na0 h ALA 18 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1na0 h ALA 18 CO -0.03 -0.23 -0.55 1.88 0.00 0.00 0.00 179.25 180.31 1na0 h TYR 19 N 0.33 1.06 -0.35 0.00 -1.99 -1.16 -2.98 116.97 111.88 1na0 h TYR 19 Ca 0.21 -0.38 0.03 0.00 2.00 0.00 0.00 58.73 60.59 1na0 h TYR 19 Cb 0.20 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 1na0 h TYR 19 CO -0.15 1.20 0.14 -0.92 -0.00 0.00 0.00 178.16 178.43 1na0 h TYR 20 N 0.64 0.26 0.00 4.88 3.20 -0.61 -1.12 116.97 124.22 1na0 h TYR 20 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1na0 h TYR 20 Cb 1.16 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.36 1na0 h TYR 20 CO 0.07 0.12 -0.06 0.87 -1.64 0.00 0.00 178.16 177.52 1na0 h LYS 21 N 0.31 0.00 -0.18 1.82 1.57 -1.09 -1.33 116.57 117.67 1na0 h LYS 21 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1na0 h LYS 21 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1na0 h LYS 21 CO -0.14 0.06 0.00 1.04 -0.57 0.00 0.00 179.45 179.84 1na0 n GLN 22 N -4.02 1.80 -1.24 3.15 6.02 -0.88 -4.95 117.38 117.26 1na0 n GLN 22 Ca -0.03 -1.20 -0.08 0.00 -0.01 0.00 0.00 57.00 55.69 1na0 n GLN 22 Cb 0.15 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 1na0 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na0 n GLY 23 N 1.16 0.97 3.05 1.08 0.00 -0.50 -4.96 105.19 106.00 1na0 n GLY 23 Ca 0.16 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1na0 n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1na0 n ASP 24 N 0.73 5.24 -0.17 1.61 -0.08 -0.48 -4.85 116.55 118.55 1na0 n ASP 24 Ca -0.08 -3.09 -0.09 0.00 -1.51 0.00 0.00 54.79 50.02 1na0 n ASP 24 Cb 0.26 -1.49 0.01 0.00 2.34 0.00 0.00 41.12 42.24 1na0 n ASP 24 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1na0 h TYR 25 N 6.13 0.75 -0.61 -0.67 0.99 -1.89 -1.43 116.97 120.24 1na0 h TYR 25 Ca 0.35 -0.07 0.08 0.00 2.00 0.00 0.00 58.73 61.10 1na0 h TYR 25 Cb 0.70 -0.22 -0.06 0.00 1.00 0.00 0.00 36.73 38.15 1na0 h TYR 25 CO 1.18 0.65 0.28 -0.44 -0.00 0.00 0.00 178.16 179.83 1na0 h ASP 26 N 0.64 0.35 -0.05 3.88 3.32 -1.94 0.06 116.42 122.69 1na0 h ASP 26 Ca 0.16 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1na0 h ASP 26 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1na0 h ASP 26 CO -0.01 0.21 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.37 1na0 h GLU 27 N 0.50 0.09 -0.75 3.56 5.08 -1.93 -2.67 114.58 118.47 1na0 h GLU 27 Ca 0.30 -0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.78 1na0 h GLU 27 Cb 0.30 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1na0 h GLU 27 CO -0.25 0.48 0.22 0.00 -1.00 0.00 0.00 179.01 178.46 1na0 h ALA 28 N 0.61 1.01 -0.31 3.43 0.00 -0.99 -0.96 119.26 122.04 1na0 h ALA 28 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1na0 h ALA 28 Cb 0.45 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1na0 h ALA 28 CO 0.01 -0.31 0.12 0.82 0.00 0.00 0.00 179.25 179.89 1na0 h ILE 29 N 0.32 1.18 -0.76 0.00 2.04 -0.94 0.15 117.51 119.50 1na0 h ILE 29 Ca 0.42 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1na0 h ILE 29 Cb 0.71 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1na0 h ILE 29 CO -0.48 0.19 0.48 -0.08 0.00 0.00 0.00 178.15 178.26 1na0 h GLU 30 N 0.35 0.90 -0.05 2.37 4.81 -0.93 -1.23 114.58 120.81 1na0 h GLU 30 Ca 0.10 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 1na0 h GLU 30 Cb 0.19 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1na0 h GLU 30 CO -0.01 0.60 -0.93 1.88 -0.73 0.00 0.00 179.01 179.82 1na0 h TYR 31 N 0.93 0.97 -0.86 0.92 0.99 -0.80 -1.77 116.97 117.34 1na0 h TYR 31 Ca 0.30 -0.49 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 1na0 h TYR 31 Cb 0.02 -0.12 -0.04 0.00 1.00 0.00 0.00 36.73 37.59 1na0 h TYR 31 CO -0.04 1.32 0.51 1.88 -0.00 0.00 0.00 178.16 181.83 1na0 h TYR 32 N 0.41 1.13 -0.77 4.88 0.99 -0.58 -0.92 116.97 122.11 1na0 h TYR 32 Ca -0.09 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.58 1na0 h TYR 32 Cb 1.57 -0.37 -0.03 0.00 1.00 0.00 0.00 36.73 38.89 1na0 h TYR 32 CO 0.09 0.76 0.28 1.96 -0.00 0.00 0.00 178.16 181.25 1na0 h GLN 33 N 1.18 1.17 -0.75 4.88 4.20 -1.03 -0.47 115.11 124.28 1na0 h GLN 33 Ca 0.31 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1na0 h GLN 33 Cb -0.04 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 1na0 h GLN 33 CO -0.06 0.97 0.28 0.87 -0.67 0.00 0.00 178.83 180.22 1na0 h LYS 34 N 1.13 1.13 -0.26 1.46 1.79 -0.90 -1.74 116.57 119.18 1na0 h LYS 34 Ca 0.25 -0.22 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1na0 h LYS 34 Cb 0.25 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1na0 h LYS 34 CO -0.02 0.94 0.16 0.00 -1.08 0.00 0.00 179.45 179.45 1na0 h ALA 35 N 1.14 0.32 0.00 3.86 0.00 -0.70 -2.95 119.26 120.92 1na0 h ALA 35 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1na0 h ALA 35 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1na0 h ALA 35 CO -0.02 -0.23 -0.28 -0.07 0.00 0.00 0.00 179.25 178.66 1na0 h LEU 36 N 0.32 0.00 -1.28 0.00 3.38 -0.95 -0.24 115.31 116.54 1na0 h LEU 36 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1na0 h LEU 36 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1na0 h LEU 36 CO -0.04 0.28 0.37 -0.33 0.09 0.00 0.00 178.44 178.81 1na0 h GLU 37 N 0.00 0.86 0.00 1.13 5.08 -1.15 -2.64 114.58 117.86 1na0 h GLU 37 Ca -0.00 -0.08 -0.29 0.00 -1.00 0.00 0.00 59.36 57.99 1na0 h GLU 37 Cb 0.86 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1na0 h GLU 37 CO 0.04 0.62 -1.74 1.28 -1.00 0.00 0.00 179.01 178.21 1na0 n LEU 38 N -4.40 0.82 -3.25 1.33 4.77 -0.72 -4.70 117.00 110.85 1na0 n LEU 38 Ca 0.06 0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 56.23 1na0 n LEU 38 Cb 0.08 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1na0 n LEU 38 CO 0.37 0.38 -0.18 -0.62 -1.33 0.00 0.00 177.39 176.01 1na0 s ASP 39 N -6.03 0.82 0.00 -1.43 2.15 -0.18 -4.95 116.67 107.04 1na0 s ASP 39 Ca -0.05 -2.38 0.08 0.00 0.43 0.00 0.00 52.55 50.64 1na0 s ASP 39 Cb 0.08 0.32 0.47 0.00 -0.30 0.00 0.00 42.92 43.49 1na0 s ASP 39 CO 0.82 -0.17 1.02 -0.81 -0.17 0.00 0.00 175.17 175.86 1na0 n PRO 40 N 3.26 0.21 -0.07 4.34 -0.04 -1.00 -2.93 135.00 138.78 1na0 n PRO 40 Ca 0.22 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1na0 n PRO 40 Cb 0.48 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.84 1na0 n PRO 40 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1na0 n ASN 41 N -1.11 1.72 -4.49 3.54 3.02 -1.26 -4.80 115.26 111.89 1na0 n ASN 41 Ca 0.05 -1.68 -0.43 0.00 -0.03 0.00 0.00 54.58 52.50 1na0 n ASN 41 Cb 0.04 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1na0 n ASN 41 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na0 s ASN 42 N -1.66 6.36 0.39 6.41 3.84 -1.15 -4.84 114.94 124.30 1na0 s ASN 42 Ca 0.34 -1.29 0.07 0.00 0.21 0.00 0.00 52.86 52.19 1na0 s ASN 42 Cb 0.18 -2.46 0.79 0.00 -0.55 0.00 0.00 41.25 39.21 1na0 s ASN 42 CO 0.28 -1.41 1.97 0.00 -2.79 0.00 0.00 177.10 175.15 1na0 h ALA 43 N 9.47 1.57 -0.05 1.71 0.00 -1.90 -2.66 119.26 127.42 1na0 h ALA 43 Ca -0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1na0 h ALA 43 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1na0 h ALA 43 CO 1.22 0.32 -0.43 0.93 0.00 0.00 0.00 179.25 181.29 1na0 h GLU 44 N 0.42 0.11 -0.15 0.00 4.39 -1.92 -1.14 114.58 116.28 1na0 h GLU 44 Ca 0.10 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1na0 h GLU 44 Cb 0.17 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1na0 h GLU 44 CO -0.00 0.53 -0.08 0.00 -1.16 0.00 0.00 179.01 178.30 1na0 h ALA 45 N 1.47 0.21 -0.87 3.43 0.00 -1.89 -0.61 119.26 121.01 1na0 h ALA 45 Ca 0.01 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1na0 h ALA 45 Cb 0.81 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1na0 h ALA 45 CO 0.06 0.02 0.53 -1.49 0.00 0.00 0.00 179.25 178.37 1na0 h TRP 46 N -0.01 0.97 -0.18 0.00 4.06 -1.27 0.50 115.95 120.02 1na0 h TRP 46 Ca 0.03 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.98 1na0 h TRP 46 Cb 0.55 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1na0 h TRP 46 CO 0.07 0.46 -0.04 -0.92 -3.56 0.00 0.00 178.44 174.45 1na0 h TYR 47 N 0.93 0.37 0.00 0.49 3.20 -1.09 -1.33 116.97 119.55 1na0 h TYR 47 Ca 0.39 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 1na0 h TYR 47 Cb 0.24 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1na0 h TYR 47 CO -0.04 0.59 -0.42 -0.91 -1.64 0.00 0.00 178.16 175.74 1na0 h ASN 48 N 0.05 0.00 -0.10 -2.11 -0.26 -0.98 0.31 115.58 112.49 1na0 h ASN 48 Ca 0.05 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1na0 h ASN 48 Cb 0.46 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1na0 h ASN 48 CO 0.02 0.42 0.06 0.25 -1.06 0.00 0.00 177.43 177.11 1na0 h LEU 49 N 0.00 0.12 -0.48 1.61 5.85 -0.76 -0.11 115.31 121.53 1na0 h LEU 49 Ca -0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1na0 h LEU 49 Cb 0.92 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1na0 h LEU 49 CO 0.05 0.14 0.19 1.23 -0.34 0.00 0.00 178.44 179.72 1na0 h GLY 50 N 0.08 0.65 0.60 3.75 0.00 -0.77 -1.85 103.07 105.54 1na0 h GLY 50 Ca 0.03 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.31 1na0 h GLY 50 CO -0.01 0.03 0.17 3.43 0.00 0.00 0.00 176.54 180.17 1na0 h ASN 51 N 0.38 0.18 -0.57 0.19 -0.26 -0.62 0.50 115.58 115.38 1na0 h ASN 51 Ca 0.23 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1na0 h ASN 51 Cb 0.21 0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1na0 h ASN 51 CO -0.22 0.14 0.36 0.00 -1.06 0.00 0.00 177.43 176.65 1na0 h ALA 52 N 1.30 0.73 -0.48 -0.83 0.00 -0.75 -0.92 119.26 118.31 1na0 h ALA 52 Ca 0.21 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1na0 h ALA 52 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1na0 h ALA 52 CO -0.21 0.20 -0.04 1.88 0.00 0.00 0.00 179.25 181.08 1na0 h TYR 53 N 0.78 0.89 -0.50 0.00 -1.99 -0.74 -2.70 116.97 112.70 1na0 h TYR 53 Ca 0.21 -0.14 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1na0 h TYR 53 Cb -0.04 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.43 1na0 h TYR 53 CO -0.03 0.84 0.32 -0.92 -0.00 0.00 0.00 178.16 178.37 1na0 h TYR 54 N 0.76 0.60 0.00 4.88 3.20 -0.44 -0.03 116.97 125.94 1na0 h TYR 54 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1na0 h TYR 54 Cb 0.52 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1na0 h TYR 54 CO 0.03 0.36 -0.07 0.87 -1.64 0.00 0.00 178.16 177.71 1na0 h LYS 55 N 0.65 0.00 -0.00 1.82 1.79 -0.94 0.12 116.57 120.00 1na0 h LYS 55 Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1na0 h LYS 55 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1na0 h LYS 55 CO -0.06 0.07 -0.15 1.04 -1.08 0.00 0.00 179.45 179.27 1na0 n GLN 56 N -3.44 0.62 -0.85 3.15 6.02 -0.64 -4.92 117.38 117.31 1na0 n GLN 56 Ca -0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1na0 n GLN 56 Cb 0.22 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1na0 n GLN 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na0 n GLY 57 N 1.32 0.53 3.22 1.08 0.00 0.41 -4.98 105.19 106.76 1na0 n GLY 57 Ca 0.13 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 1na0 n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na0 n ASP 58 N 0.72 5.67 0.02 1.61 8.00 -0.12 -4.87 116.55 127.59 1na0 n ASP 58 Ca 0.00 -3.14 -0.03 0.00 0.71 0.00 0.00 54.79 52.33 1na0 n ASP 58 Cb 0.00 -1.40 0.21 0.00 -0.02 0.00 0.00 41.12 39.91 1na0 n ASP 58 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1na0 h TYR 59 N 6.30 0.51 -0.42 1.24 0.99 -1.88 -1.71 116.97 122.00 1na0 h TYR 59 Ca 0.23 -0.11 0.05 0.00 2.00 0.00 0.00 58.73 60.90 1na0 h TYR 59 Cb 0.77 -0.13 -0.04 0.00 1.00 0.00 0.00 36.73 38.33 1na0 h TYR 59 CO 0.94 0.68 0.16 -0.44 -0.00 0.00 0.00 178.16 179.50 1na0 h ASP 60 N 0.40 0.18 -0.56 3.88 3.45 -1.92 -1.54 116.42 120.33 1na0 h ASP 60 Ca 0.06 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.48 1na0 h ASP 60 Cb 0.67 0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 1na0 h ASP 60 CO 0.05 0.14 0.02 -0.33 -1.57 0.00 0.00 179.24 177.55 1na0 h GLU 61 N 0.33 0.97 -0.50 3.56 3.07 -1.91 -2.66 114.58 117.44 1na0 h GLU 61 Ca 0.19 -0.30 0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1na0 h GLU 61 Cb 0.17 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 1na0 h GLU 61 CO -0.19 0.97 0.23 0.00 -1.40 0.00 0.00 179.01 178.62 1na0 h ALA 62 N 0.97 0.63 -0.38 3.43 0.00 -1.01 -1.95 119.26 120.95 1na0 h ALA 62 Ca 0.16 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1na0 h ALA 62 Cb 0.52 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1na0 h ALA 62 CO 0.02 -0.14 0.09 0.82 0.00 0.00 0.00 179.25 180.04 1na0 h ILE 63 N 0.44 0.82 -0.39 0.00 2.04 -1.17 0.30 117.51 119.55 1na0 h ILE 63 Ca 0.23 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1na0 h ILE 63 Cb 0.18 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1na0 h ILE 63 CO -0.19 0.04 0.22 -0.08 0.00 0.00 0.00 178.15 178.14 1na0 h GLU 64 N 0.22 0.54 0.14 2.37 4.81 -1.11 0.43 114.58 121.99 1na0 h GLU 64 Ca 0.18 -0.06 -0.29 0.00 -0.13 0.00 0.00 59.36 59.07 1na0 h GLU 64 Cb 0.20 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.49 1na0 h GLU 64 CO -0.23 0.43 -1.26 1.88 -0.73 0.00 0.00 179.01 179.10 1na0 h TYR 65 N 0.50 0.69 -0.88 0.92 0.99 -1.02 -2.21 116.97 115.96 1na0 h TYR 65 Ca 0.14 -0.48 -0.01 0.00 2.00 0.00 0.00 58.73 60.38 1na0 h TYR 65 Cb 0.04 -0.04 -0.04 0.00 1.00 0.00 0.00 36.73 37.69 1na0 h TYR 65 CO -0.03 1.35 0.52 1.88 -0.00 0.00 0.00 178.16 181.89 1na0 h TYR 66 N 0.14 1.18 -0.51 4.88 0.99 -0.30 -1.01 116.97 122.33 1na0 h TYR 66 Ca -0.16 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.53 1na0 h TYR 66 Cb 1.96 -0.38 -0.02 0.00 1.00 0.00 0.00 36.73 39.28 1na0 h TYR 66 CO 0.08 0.79 0.21 1.96 -0.00 0.00 0.00 178.16 181.21 1na0 h GLN 67 N 1.22 0.72 -0.29 4.88 4.20 -0.73 -0.55 115.11 124.57 1na0 h GLN 67 Ca 0.32 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 1na0 h GLN 67 Cb -0.03 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1na0 h GLN 67 CO -0.06 0.59 -0.41 -0.22 -0.67 0.00 0.00 178.83 178.06 1na0 h LYS 68 N 0.72 0.79 -0.68 1.46 1.63 -1.04 -1.45 116.57 118.00 1na0 h LYS 68 Ca 0.18 -0.46 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1na0 h LYS 68 Cb 0.12 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1na0 h LYS 68 CO -0.02 1.09 0.42 0.00 -3.45 0.00 0.00 179.45 177.49 1na0 h ALA 69 N 0.68 0.87 0.00 5.00 0.00 -0.64 -2.25 119.26 122.92 1na0 h ALA 69 Ca 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1na0 h ALA 69 Cb 1.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1na0 h ALA 69 CO 0.10 0.34 -0.27 -0.07 0.00 0.00 0.00 179.25 179.35 1na0 h LEU 70 N 0.93 0.00 -0.51 0.00 3.38 -0.93 0.59 115.31 118.77 1na0 h LEU 70 Ca 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1na0 h LEU 70 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1na0 h LEU 70 CO -0.05 0.27 0.13 -0.33 0.09 0.00 0.00 178.44 178.55 1na0 h GLU 71 N 0.00 0.81 -0.17 1.13 5.08 -0.67 -2.18 114.58 118.58 1na0 h GLU 71 Ca -0.00 -0.19 -0.22 0.00 -1.00 0.00 0.00 59.36 57.95 1na0 h GLU 71 Cb 0.93 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1na0 h GLU 71 CO 0.03 0.78 -0.74 -0.07 -1.00 0.00 0.00 179.01 178.01 1na0 h LEU 72 N 0.70 0.94 -6.67 1.33 3.38 -1.24 -3.39 115.31 110.36 1na0 h LEU 72 Ca 0.16 -0.62 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 1na0 h LEU 72 Cb 0.33 -0.28 -0.39 0.00 0.09 0.00 0.00 40.66 40.41 1na0 h LEU 72 CO 0.00 1.40 -0.83 -0.62 0.09 0.00 0.00 178.44 178.48 1na0 s ASP 73 N -7.07 2.87 0.00 -0.43 2.15 0.18 -4.97 116.67 109.40 1na0 s ASP 73 Ca -0.11 -2.65 0.15 0.00 0.43 0.00 0.00 52.55 50.38 1na0 s ASP 73 Cb 0.09 -0.66 0.89 0.00 -0.30 0.00 0.00 42.92 42.94 1na0 s ASP 73 CO 0.90 -0.25 1.31 -0.81 -0.17 0.00 0.00 175.17 176.15 1na0 n PRO 74 N 3.45 0.47 0.00 4.34 -0.04 -0.82 -3.07 135.00 139.34 1na0 n PRO 74 Ca 0.16 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1na0 n PRO 74 Cb 0.39 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 1na0 n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1na0 n ASN 75 N -1.00 2.13 -4.47 3.54 3.02 -1.26 -4.84 115.26 112.38 1na0 n ASN 75 Ca 0.11 -1.66 -0.43 0.00 -0.03 0.00 0.00 54.58 52.58 1na0 n ASN 75 Cb 0.05 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1na0 n ASN 75 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na0 s ASN 76 N -2.09 6.40 0.26 6.41 3.84 -1.17 -4.87 114.94 123.72 1na0 s ASN 76 Ca 0.31 -1.46 -0.04 0.00 0.21 0.00 0.00 52.86 51.88 1na0 s ASN 76 Cb 0.20 -2.44 0.36 0.00 -0.55 0.00 0.00 41.25 38.83 1na0 s ASN 76 CO 0.36 -1.31 1.89 0.00 -2.79 0.00 0.00 177.10 175.25 1na0 h ALA 77 N 9.32 1.35 -0.30 1.71 0.00 -1.91 -2.17 119.26 127.26 1na0 h ALA 77 Ca -0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1na0 h ALA 77 Cb 1.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1na0 h ALA 77 CO 1.19 0.49 -0.15 0.93 0.00 0.00 0.00 179.25 181.71 1na0 h GLU 78 N 1.21 0.52 -0.47 0.00 5.08 -1.93 -1.70 114.58 117.29 1na0 h GLU 78 Ca 0.41 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1na0 h GLU 78 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1na0 h GLU 78 CO -0.15 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 1na0 h ALA 79 N 1.37 0.63 -0.68 3.43 0.00 -1.82 0.34 119.26 122.54 1na0 h ALA 79 Ca 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1na0 h ALA 79 Cb 0.53 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1na0 h ALA 79 CO 0.03 0.43 0.42 -1.49 0.00 0.00 0.00 179.25 178.65 1na0 h TRP 80 N 0.68 0.79 0.07 0.00 4.06 -1.11 0.24 115.95 120.67 1na0 h TRP 80 Ca 0.13 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.10 1na0 h TRP 80 Cb 0.50 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1na0 h TRP 80 CO 0.04 0.45 -0.03 -0.92 -3.56 0.00 0.00 178.44 174.42 1na0 h TYR 81 N 0.83 -0.08 -0.55 0.49 3.20 -1.03 0.32 116.97 120.14 1na0 h TYR 81 Ca 0.27 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1na0 h TYR 81 Cb 0.02 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1na0 h TYR 81 CO -0.04 0.01 0.23 -0.91 -1.64 0.00 0.00 178.16 175.80 1na0 h ASN 82 N -0.16 0.72 -0.39 -2.11 2.35 -0.05 -0.11 115.58 115.84 1na0 h ASN 82 Ca -0.01 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1na0 h ASN 82 Cb 0.13 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1na0 h ASN 82 CO 0.02 0.65 0.16 0.25 -1.65 0.00 0.00 177.43 176.86 1na0 h LEU 83 N 0.79 0.52 -0.59 1.61 5.85 -0.24 -1.03 115.31 122.22 1na0 h LEU 83 Ca 0.19 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1na0 h LEU 83 Cb 0.15 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1na0 h LEU 83 CO -0.02 0.53 -0.03 1.23 -0.34 0.00 0.00 178.44 179.81 1na0 h GLY 84 N 0.48 0.57 1.00 3.75 0.00 -0.39 -1.09 103.07 107.40 1na0 h GLY 84 Ca 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1na0 h GLY 84 CO -0.01 -0.19 0.38 3.43 0.00 0.00 0.00 176.54 180.14 1na0 h ASN 85 N 0.09 0.74 -0.66 0.19 -0.26 -0.52 0.07 115.58 115.22 1na0 h ASN 85 Ca 0.30 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.96 1na0 h ASN 85 Cb 0.48 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 1na0 h ASN 85 CO -0.52 0.58 0.34 0.00 -1.06 0.00 0.00 177.43 176.77 1na0 h ALA 86 N 1.19 0.86 -0.66 -0.83 0.00 -0.62 -0.30 119.26 118.89 1na0 h ALA 86 Ca 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1na0 h ALA 86 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1na0 h ALA 86 CO -0.04 0.40 0.10 1.88 0.00 0.00 0.00 179.25 181.59 1na0 h TYR 87 N 0.92 1.18 -0.61 0.00 -1.99 -0.93 -2.68 116.97 112.86 1na0 h TYR 87 Ca 0.23 -0.17 0.06 0.00 2.00 0.00 0.00 58.73 60.86 1na0 h TYR 87 Cb 0.09 -0.32 -0.06 0.00 2.00 0.00 0.00 36.73 38.44 1na0 h TYR 87 CO -0.00 0.99 0.31 -0.92 -0.00 0.00 0.00 178.16 178.54 1na0 h TYR 88 N 1.03 0.57 -0.35 4.88 3.20 -0.47 -0.52 116.97 125.32 1na0 h TYR 88 Ca 0.20 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1na0 h TYR 88 Cb 0.45 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1na0 h TYR 88 CO 0.03 0.25 0.21 0.87 -1.64 0.00 0.00 178.16 177.89 1na0 h LYS 89 N 0.58 0.47 -0.00 1.82 1.79 -0.88 0.14 116.57 120.49 1na0 h LYS 89 Ca 0.28 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1na0 h LYS 89 Cb 0.21 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1na0 h LYS 89 CO -0.20 0.33 -0.05 1.04 -1.08 0.00 0.00 179.45 179.49 1na0 n GLN 90 N -4.46 0.66 -0.83 3.15 1.13 -0.81 -4.92 117.38 111.30 1na0 n GLN 90 Ca 0.02 -0.13 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1na0 n GLN 90 Cb 0.08 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1na0 n GLN 90 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1na0 n GLY 91 N 1.24 0.69 3.27 1.08 0.00 0.50 -4.96 105.19 107.01 1na0 n GLY 91 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1na0 n GLY 91 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1na0 n ASP 92 N 0.00 4.88 0.13 1.61 -0.08 -0.27 -4.81 116.55 118.02 1na0 n ASP 92 Ca 0.00 -2.96 -0.01 0.00 -1.51 0.00 0.00 54.79 50.31 1na0 n ASP 92 Cb 0.00 -1.63 0.24 0.00 2.34 0.00 0.00 41.12 42.07 1na0 n ASP 92 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1na0 h TYR 93 N 6.83 0.14 -0.04 -0.67 -1.99 -1.89 -1.97 116.97 117.38 1na0 h TYR 93 Ca 0.42 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 61.12 1na0 h TYR 93 Cb 0.79 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.47 1na0 h TYR 93 CO 1.29 0.56 -0.04 0.38 -0.00 0.00 0.00 178.16 180.36 1na0 h ASP 94 N 0.09 -0.11 -0.49 3.88 2.03 -1.92 -0.66 116.42 119.25 1na0 h ASP 94 Ca 0.00 0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.30 1na0 h ASP 94 Cb 0.86 0.06 -0.02 0.00 -0.83 0.00 0.00 39.33 39.40 1na0 h ASP 94 CO 0.07 -0.05 0.21 -0.33 -1.03 0.00 0.00 179.24 178.10 1na0 h GLU 95 N -0.05 0.72 -0.71 4.15 4.39 -1.93 -2.31 114.58 118.85 1na0 h GLU 95 Ca 0.03 -0.12 0.07 0.00 0.34 0.00 0.00 59.36 59.68 1na0 h GLU 95 Cb 0.09 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 1na0 h GLU 95 CO -0.07 0.63 0.38 0.00 -1.16 0.00 0.00 179.01 178.79 1na0 h ALA 96 N 1.05 0.96 -0.45 3.43 0.00 -1.08 -0.91 119.26 122.26 1na0 h ALA 96 Ca 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1na0 h ALA 96 Cb 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1na0 h ALA 96 CO -0.02 0.03 0.28 0.82 0.00 0.00 0.00 179.25 180.36 1na0 h ILE 97 N 0.68 1.13 -0.42 0.00 2.04 -0.89 0.22 117.51 120.27 1na0 h ILE 97 Ca 0.33 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1na0 h ILE 97 Cb 0.27 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1na0 h ILE 97 CO -0.22 0.13 0.16 -0.08 0.00 0.00 0.00 178.15 178.14 1na0 h GLU 98 N 0.60 0.32 0.01 2.37 4.57 -0.69 -1.44 114.58 120.32 1na0 h GLU 98 Ca 0.16 -0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 58.11 1na0 h GLU 98 Cb -0.03 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1na0 h GLU 98 CO -0.03 0.21 -0.93 1.88 -1.18 0.00 0.00 179.01 178.96 1na0 h TYR 99 N 0.33 0.48 -0.67 0.92 0.99 -0.84 -1.99 116.97 116.18 1na0 h TYR 99 Ca 0.20 -0.27 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1na0 h TYR 99 Cb 0.18 -0.05 -0.03 0.00 1.00 0.00 0.00 36.73 37.82 1na0 h TYR 99 CO -0.15 1.09 0.31 1.88 -0.00 0.00 0.00 178.16 181.29 1na0 h TYR 100 N 0.17 0.95 -0.35 4.88 0.99 -0.46 -0.95 116.97 122.20 1na0 h TYR 100 Ca -0.07 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.52 1na0 h TYR 100 Cb 1.57 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 38.98 1na0 h TYR 100 CO 0.05 0.70 -0.21 1.96 -0.00 0.00 0.00 178.16 180.66 1na0 h GLN 101 N 0.95 0.67 -0.07 4.88 4.20 -1.09 -1.60 115.11 123.05 1na0 h GLN 101 Ca 0.23 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1na0 h GLN 101 Cb 0.12 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1na0 h GLN 101 CO -0.03 0.84 0.02 -0.22 -0.67 0.00 0.00 178.83 178.77 1na0 h LYS 102 N 0.59 0.11 -0.68 1.46 1.63 -0.89 -1.87 116.57 116.91 1na0 h LYS 102 Ca 0.09 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.99 1na0 h LYS 102 Cb 0.69 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.21 1na0 h LYS 102 CO 0.05 0.27 0.23 0.00 -3.45 0.00 0.00 179.45 176.56 1na0 h ALA 103 N 0.83 0.90 0.00 5.00 0.00 -0.93 -1.68 119.26 123.39 1na0 h ALA 103 Ca 0.02 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1na0 h ALA 103 Cb 0.21 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1na0 h ALA 103 CO -0.00 -0.23 -0.42 -0.07 0.00 0.00 0.00 179.25 178.52 1na0 h LEU 104 N 0.38 0.00 -0.75 0.00 3.38 -1.08 0.11 115.31 117.35 1na0 h LEU 104 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1na0 h LEU 104 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1na0 h LEU 104 CO -0.39 0.42 0.20 -0.33 0.09 0.00 0.00 178.44 178.44 1na0 h GLU 105 N 0.00 1.14 0.21 1.13 5.08 -0.47 -2.99 114.58 118.69 1na0 h GLU 105 Ca -0.00 -0.26 -0.33 0.00 -1.00 0.00 0.00 59.36 57.77 1na0 h GLU 105 Cb 0.97 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 30.09 1na0 h GLU 105 CO 0.05 0.99 -1.52 -0.07 -1.00 0.00 0.00 179.01 177.47 1na0 h LEU 106 N 1.09 0.71 -6.90 1.33 4.07 -0.91 -3.42 115.31 111.28 1na0 h LEU 106 Ca 0.23 -0.83 -0.59 0.00 0.08 0.00 0.00 57.88 56.78 1na0 h LEU 106 Cb 0.34 -0.23 -0.40 0.00 1.08 0.00 0.00 40.66 41.45 1na0 h LEU 106 CO -0.00 1.66 -0.78 -0.62 -1.08 0.00 0.00 178.44 177.62 1na0 s ASP 107 N -7.42 3.54 0.00 -0.43 2.15 0.27 -5.01 116.67 109.77 1na0 s ASP 107 Ca -0.10 -2.17 0.11 0.00 0.43 0.00 0.00 52.55 50.82 1na0 s ASP 107 Cb 0.05 -0.76 0.45 0.00 -0.30 0.00 0.00 42.92 42.36 1na0 s ASP 107 CO 0.91 -0.33 1.33 -2.65 -0.17 0.00 0.00 175.17 174.27 1na0 n PRO 108 N 4.12 0.01 -0.01 4.34 -0.02 -1.13 -3.22 135.00 139.09 1na0 n PRO 108 Ca 0.06 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1na0 n PRO 108 Cb 0.37 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.84 1na0 n PRO 108 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1na0 n ASN 109 N -1.49 1.61 -4.56 2.55 3.02 -1.26 -4.78 115.26 110.35 1na0 n ASN 109 Ca 0.03 -1.56 -0.38 0.00 -0.03 0.00 0.00 54.58 52.64 1na0 n ASN 109 Cb 0.12 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1na0 n ASN 109 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na0 s ASN 110 N -1.93 6.24 0.39 6.41 3.84 -1.20 -4.79 114.94 123.90 1na0 s ASN 110 Ca 0.37 -1.29 0.09 0.00 0.21 0.00 0.00 52.86 52.23 1na0 s ASN 110 Cb 0.20 -2.57 0.80 0.00 -0.55 0.00 0.00 41.25 39.14 1na0 s ASN 110 CO 0.32 -1.75 1.95 0.00 -2.79 0.00 0.00 177.10 174.84 1na0 h ALA 111 N 10.09 1.55 -0.36 1.71 0.00 -1.93 -1.53 119.26 128.79 1na0 h ALA 111 Ca 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1na0 h ALA 111 Cb 1.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1na0 h ALA 111 CO 1.39 0.33 -0.16 0.93 0.00 0.00 0.00 179.25 181.73 1na0 h GLU 112 N 0.32 0.66 -0.41 0.00 5.08 -1.99 -1.14 114.58 117.10 1na0 h GLU 112 Ca 0.07 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1na0 h GLU 112 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1na0 h GLU 112 CO 0.01 0.79 -0.01 0.00 -1.00 0.00 0.00 179.01 178.80 1na0 h ALA 113 N 1.23 0.56 -0.77 3.43 0.00 -1.69 -0.17 119.26 121.85 1na0 h ALA 113 Ca 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1na0 h ALA 113 Cb 0.61 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1na0 h ALA 113 CO 0.04 0.35 0.51 0.87 0.00 0.00 0.00 179.25 181.02 1na0 h LYS 114 N 0.57 1.01 -0.21 0.00 1.57 -1.23 0.27 116.57 118.54 1na0 h LYS 114 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 1na0 h LYS 114 Cb 0.49 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1na0 h LYS 114 CO 0.02 0.67 -0.19 0.37 -0.57 0.00 0.00 179.45 179.75 1na0 h GLN 115 N 1.04 0.50 -0.45 3.15 4.15 -1.04 -1.71 115.11 120.75 1na0 h GLN 115 Ca 0.28 -0.26 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 1na0 h GLN 115 Cb -0.11 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1na0 h GLN 115 CO -0.06 0.83 -0.18 -0.91 -1.93 0.00 0.00 178.83 176.58 1na0 h ASN 116 N 0.19 0.89 -0.51 -0.69 2.35 -0.89 -0.79 115.58 116.13 1na0 h ASN 116 Ca 0.04 -0.31 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 1na0 h ASN 116 Cb 0.73 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 1na0 h ASN 116 CO 0.05 1.06 0.26 0.25 -1.65 0.00 0.00 177.43 177.40 1na0 h LEU 117 N 0.77 0.38 -0.47 1.61 5.85 -0.90 0.67 115.31 123.23 1na0 h LEU 117 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1na0 h LEU 117 Cb 0.72 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1na0 h LEU 117 CO 0.06 0.26 0.20 1.23 -0.34 0.00 0.00 178.44 179.85 1na0 h GLY 118 N 0.51 0.74 1.06 3.75 0.00 -0.97 -1.40 103.07 106.76 1na0 h GLY 118 Ca 0.22 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1na0 h GLY 118 CO -0.15 0.37 -0.13 -0.57 0.00 0.00 0.00 176.54 176.06 1na0 h ASN 119 N 0.61 0.96 -0.60 0.19 -0.73 -0.90 -1.76 115.58 113.35 1na0 h ASN 119 Ca 0.16 -0.37 -0.01 0.00 1.87 0.00 0.00 56.30 57.95 1na0 h ASN 119 Cb 0.16 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 1na0 h ASN 119 CO -0.02 1.10 0.34 0.00 -0.37 0.00 0.00 177.43 178.49 1na0 h ALA 120 N 0.89 1.44 -0.59 1.57 0.00 -0.60 -0.48 119.26 121.48 1na0 h ALA 120 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1na0 h ALA 120 Cb 0.69 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1na0 h ALA 120 CO 0.05 0.47 0.22 0.87 0.00 0.00 0.00 179.25 180.85 1na0 h LYS 121 N 0.86 0.87 -0.42 0.00 1.57 -0.90 -2.56 116.57 115.98 1na0 h LYS 121 Ca 0.22 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1na0 h LYS 121 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1na0 h LYS 121 CO -0.04 0.73 -0.13 1.96 -0.57 0.00 0.00 179.45 181.40 1na0 h GLN 122 N 0.85 0.77 0.00 3.15 1.08 -0.34 -2.93 115.11 117.69 1na0 h GLN 122 Ca 0.20 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1na0 h GLN 122 Cb 0.20 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1na0 h GLN 122 CO -0.02 0.86 0.00 1.63 -0.95 0.00 0.00 178.83 180.36 1na0 n LYS 123 N -4.16 0.13 0.06 1.46 5.02 -0.31 -2.18 118.16 118.19 1na0 n LYS 123 Ca 0.01 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1na0 n LYS 123 Cb 0.37 -1.67 0.46 0.00 -0.02 0.00 0.00 35.03 34.17 1na0 n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1na0 n GLN 124 N -1.91 0.12 -0.51 1.97 6.02 -1.00 -5.09 117.38 116.99 1na0 n GLN 124 Ca 0.05 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1na0 n GLN 124 Cb 0.34 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1na0 n GLN 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46