#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1na3 h ASN 2 N 0.00 -0.89 -0.40 1.61 2.35 -2.03 -0.63 115.58 115.60 1na3 h ASN 2 Ca 0.00 0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 1na3 h ASN 2 Cb 0.00 0.38 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1na3 h ASN 2 CO 0.00 -0.13 0.05 0.77 -1.65 0.00 0.00 177.43 176.47 1na3 h SER 3 N -0.07 0.71 -0.70 5.81 4.64 -2.02 -1.71 113.55 120.20 1na3 h SER 3 Ca 0.05 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1na3 h SER 3 Cb 0.21 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1na3 h SER 3 CO -0.35 0.75 0.34 0.00 -0.87 0.00 0.00 176.83 176.69 1na3 h ALA 4 N 1.34 0.91 -0.61 5.18 0.00 -1.69 -1.12 119.26 123.27 1na3 h ALA 4 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1na3 h ALA 4 Cb 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1na3 h ALA 4 CO 0.01 0.47 0.10 1.49 0.00 0.00 0.00 179.25 181.32 1na3 h GLU 5 N 0.98 0.98 -0.38 0.00 4.57 -0.90 -1.56 114.58 118.28 1na3 h GLU 5 Ca 0.24 -0.25 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1na3 h GLU 5 Cb 0.12 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1na3 h GLU 5 CO -0.03 0.91 -0.19 0.00 -1.18 0.00 0.00 179.01 178.52 1na3 h ALA 6 N 1.17 0.53 -0.74 2.92 0.00 -0.82 -0.30 119.26 122.03 1na3 h ALA 6 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1na3 h ALA 6 Cb 0.40 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1na3 h ALA 6 CO 0.01 0.48 0.48 -1.49 0.00 0.00 0.00 179.25 178.72 1na3 h TRP 7 N 0.59 0.93 -0.23 0.00 4.06 -1.01 -1.07 115.95 119.21 1na3 h TRP 7 Ca 0.08 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.08 1na3 h TRP 7 Cb 0.74 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.56 1na3 h TRP 7 CO 0.06 0.60 0.07 -0.92 -3.56 0.00 0.00 178.44 174.68 1na3 h TYR 8 N 1.00 0.12 -0.36 0.49 3.20 -1.00 -0.35 116.97 120.06 1na3 h TYR 8 Ca 0.27 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1na3 h TYR 8 Cb -0.10 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1na3 h TYR 8 CO -0.02 0.05 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.59 1na3 h ASN 9 N 0.17 0.55 -0.43 -2.11 2.35 -0.88 -0.88 115.58 114.35 1na3 h ASN 9 Ca 0.10 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1na3 h ASN 9 Cb 0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1na3 h ASN 9 CO -0.12 0.66 0.18 0.25 -1.65 0.00 0.00 177.43 176.74 1na3 h LEU 10 N 0.55 0.59 -0.54 1.61 5.85 -0.80 -1.65 115.31 120.92 1na3 h LEU 10 Ca 0.11 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.75 1na3 h LEU 10 Cb 0.42 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1na3 h LEU 10 CO 0.02 0.59 0.16 1.23 -0.34 0.00 0.00 178.44 180.10 1na3 h GLY 11 N 0.55 0.71 1.08 3.75 0.00 -0.32 -1.98 103.07 106.86 1na3 h GLY 11 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1na3 h GLY 11 CO -0.01 -0.03 0.53 3.43 0.00 0.00 0.00 176.54 180.46 1na3 h ASN 12 N 0.33 1.08 -0.54 0.19 -0.26 -0.84 0.18 115.58 115.72 1na3 h ASN 12 Ca 0.27 -0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.95 1na3 h ASN 12 Cb 0.34 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 1na3 h ASN 12 CO -0.30 0.83 0.35 0.00 -1.06 0.00 0.00 177.43 177.24 1na3 h ALA 13 N 1.35 0.68 -0.20 -0.83 0.00 -0.57 -0.42 119.26 119.28 1na3 h ALA 13 Ca 0.32 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1na3 h ALA 13 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1na3 h ALA 13 CO -0.06 0.10 -0.51 1.88 0.00 0.00 0.00 179.25 180.66 1na3 h TYR 14 N 0.70 0.68 -0.45 0.00 -1.99 -0.98 -2.82 116.97 112.11 1na3 h TYR 14 Ca 0.20 -0.23 0.02 0.00 2.00 0.00 0.00 58.73 60.72 1na3 h TYR 14 Cb -0.05 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.51 1na3 h TYR 14 CO -0.04 0.94 0.27 -0.92 -0.00 0.00 0.00 178.16 178.41 1na3 h TYR 15 N 0.43 0.51 0.00 4.88 3.20 -0.33 -1.48 116.97 124.18 1na3 h TYR 15 Ca 0.02 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1na3 h TYR 15 Cb 1.04 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1na3 h TYR 15 CO 0.04 0.30 -0.10 0.87 -1.64 0.00 0.00 178.16 177.64 1na3 h LYS 16 N 0.55 0.00 -0.00 1.82 1.57 -0.92 -1.22 116.57 118.36 1na3 h LYS 16 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1na3 h LYS 16 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1na3 h LYS 16 CO -0.07 0.10 -0.14 1.04 -0.57 0.00 0.00 179.45 179.80 1na3 n GLN 17 N -4.41 0.03 -0.55 3.15 6.02 -0.87 -4.92 117.38 115.82 1na3 n GLN 17 Ca -0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1na3 n GLN 17 Cb 0.17 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1na3 n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na3 n GLY 18 N 1.49 0.71 3.35 1.08 0.00 -0.46 -5.01 105.19 106.35 1na3 n GLY 18 Ca 0.07 -0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 1na3 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1na3 n ASP 19 N 0.19 5.49 0.08 1.61 -0.08 -0.61 -4.84 116.55 118.39 1na3 n ASP 19 Ca 0.00 -3.04 -0.02 0.00 -1.51 0.00 0.00 54.79 50.21 1na3 n ASP 19 Cb 0.00 -1.42 0.23 0.00 2.34 0.00 0.00 41.12 42.27 1na3 n ASP 19 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1na3 h TYR 20 N 6.68 0.32 -0.23 -0.67 -1.99 -1.89 -1.29 116.97 117.90 1na3 h TYR 20 Ca 0.22 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1na3 h TYR 20 Cb 0.85 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 1na3 h TYR 20 CO 0.86 0.62 0.15 0.22 -0.00 0.00 0.00 178.16 180.00 1na3 h ASP 21 N 0.23 0.27 -0.19 3.88 3.58 -1.93 -0.23 116.42 122.04 1na3 h ASP 21 Ca 0.03 -0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1na3 h ASP 21 Cb 0.78 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 1na3 h ASP 21 CO 0.06 0.22 -0.47 -0.08 -2.88 0.00 0.00 179.24 176.10 1na3 h GLU 22 N 0.30 0.76 -0.57 0.28 4.57 -1.89 -2.75 114.58 115.27 1na3 h GLU 22 Ca 0.08 -0.43 0.04 0.00 -1.18 0.00 0.00 59.36 57.87 1na3 h GLU 22 Cb -0.00 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1na3 h GLU 22 CO -0.02 1.06 0.32 0.00 -1.18 0.00 0.00 179.01 179.20 1na3 h ALA 23 N 0.87 0.74 -0.59 2.92 0.00 -1.03 -1.77 119.26 120.40 1na3 h ALA 23 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1na3 h ALA 23 Cb 1.04 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1na3 h ALA 23 CO 0.10 0.02 0.34 0.82 0.00 0.00 0.00 179.25 180.52 1na3 h ILE 24 N 0.63 1.01 -0.76 0.00 2.04 -0.94 -0.33 117.51 119.16 1na3 h ILE 24 Ca 0.24 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1na3 h ILE 24 Cb 0.09 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.40 1na3 h ILE 24 CO -0.14 0.12 0.37 -0.08 0.00 0.00 0.00 178.15 178.42 1na3 h GLU 25 N 0.65 0.57 0.07 2.37 4.81 -1.03 -0.54 114.58 121.48 1na3 h GLU 25 Ca 0.25 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.19 1na3 h GLU 25 Cb 0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1na3 h GLU 25 CO -0.14 0.38 -1.22 1.88 -0.73 0.00 0.00 179.01 179.19 1na3 h TYR 26 N 0.59 0.26 -0.68 0.92 0.99 -0.94 -2.56 116.97 115.57 1na3 h TYR 26 Ca 0.39 -0.19 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 1na3 h TYR 26 Cb 0.48 -0.01 -0.03 0.00 1.00 0.00 0.00 36.73 38.17 1na3 h TYR 26 CO -0.11 1.17 0.25 1.88 -0.00 0.00 0.00 178.16 181.34 1na3 h TYR 27 N 0.04 1.03 -0.61 4.88 0.99 -0.79 -0.63 116.97 121.87 1na3 h TYR 27 Ca -0.11 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.52 1na3 h TYR 27 Cb 1.90 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 39.30 1na3 h TYR 27 CO 0.03 0.80 0.28 1.96 -0.00 0.00 0.00 178.16 181.23 1na3 h GLN 28 N 0.98 0.89 -0.68 4.88 4.20 -1.06 -0.80 115.11 123.53 1na3 h GLN 28 Ca 0.23 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1na3 h GLN 28 Cb 0.23 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1na3 h GLN 28 CO -0.02 0.73 0.29 -0.22 -0.67 0.00 0.00 178.83 178.95 1na3 h LYS 29 N 0.84 1.00 -0.79 1.46 1.63 -1.08 -0.35 116.57 119.28 1na3 h LYS 29 Ca 0.21 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1na3 h LYS 29 Cb 0.15 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 1na3 h LYS 29 CO -0.02 0.82 0.50 0.00 -3.45 0.00 0.00 179.45 177.30 1na3 h ALA 30 N 1.13 1.05 0.00 5.00 0.00 -0.70 -2.36 119.26 123.38 1na3 h ALA 30 Ca 0.23 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1na3 h ALA 30 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1na3 h ALA 30 CO -0.02 0.31 -0.70 -0.07 0.00 0.00 0.00 179.25 178.77 1na3 h LEU 31 N 0.98 0.00 -0.73 0.00 3.38 -0.84 -0.12 115.31 117.97 1na3 h LEU 31 Ca 0.32 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.32 1na3 h LEU 31 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1na3 h LEU 31 CO -0.12 0.70 0.46 -0.33 0.09 0.00 0.00 178.44 179.24 1na3 h GLU 32 N 0.00 0.89 0.17 1.13 5.08 -0.70 -2.27 114.58 118.87 1na3 h GLU 32 Ca -0.01 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 58.00 1na3 h GLU 32 Cb 1.49 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.56 1na3 h GLU 32 CO 0.09 0.59 -1.32 -0.07 -1.00 0.00 0.00 179.01 177.29 1na3 h LEU 33 N 0.91 0.57 -6.68 1.33 3.38 -1.16 -3.41 115.31 110.25 1na3 h LEU 33 Ca 0.29 -0.61 -0.59 0.00 0.09 0.00 0.00 57.88 57.06 1na3 h LEU 33 Cb -0.00 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 40.17 1na3 h LEU 33 CO -0.10 1.48 -0.82 -0.62 0.09 0.00 0.00 178.44 178.46 1na3 s ASP 34 N -7.30 3.09 0.00 -0.43 2.15 -0.08 -4.83 116.67 109.26 1na3 s ASP 34 Ca -0.06 -2.34 0.21 0.00 0.43 0.00 0.00 52.55 50.79 1na3 s ASP 34 Cb 0.06 -0.56 1.18 0.00 -0.30 0.00 0.00 42.92 43.30 1na3 s ASP 34 CO 0.91 -0.29 1.62 -0.81 -0.17 0.00 0.00 175.17 176.43 1na3 n PRO 35 N 3.86 0.56 -0.23 4.34 -0.04 -0.86 -2.49 135.00 140.14 1na3 n PRO 35 Ca 0.12 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1na3 n PRO 35 Cb 0.37 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.59 1na3 n PRO 35 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1na3 n ASN 36 N -1.07 3.11 -4.56 3.54 3.02 -1.26 -4.85 115.26 113.19 1na3 n ASN 36 Ca 0.14 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 1na3 n ASN 36 Cb 0.09 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1na3 n ASN 36 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na3 s ASN 37 N -1.26 6.30 0.29 6.41 3.84 -1.04 -4.87 114.94 124.61 1na3 s ASN 37 Ca 0.39 -0.97 -0.02 0.00 0.21 0.00 0.00 52.86 52.46 1na3 s ASN 37 Cb 0.21 -2.56 0.41 0.00 -0.55 0.00 0.00 41.25 38.76 1na3 s ASN 37 CO 0.29 -1.69 1.93 0.00 -2.79 0.00 0.00 177.10 174.84 1na3 h ALA 38 N 10.02 1.35 -0.25 1.71 0.00 -1.88 -2.27 119.26 127.92 1na3 h ALA 38 Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1na3 h ALA 38 Cb 1.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1na3 h ALA 38 CO 1.36 0.56 -0.17 0.93 0.00 0.00 0.00 179.25 181.93 1na3 h GLU 39 N 1.08 0.44 -0.44 0.00 4.39 -1.92 -0.89 114.58 117.24 1na3 h GLU 39 Ca 0.28 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 1na3 h GLU 39 Cb -0.03 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1na3 h GLU 39 CO -0.05 0.60 -0.08 0.00 -1.16 0.00 0.00 179.01 178.32 1na3 h ALA 40 N 1.43 0.60 -0.58 3.43 0.00 -1.83 -0.10 119.26 122.22 1na3 h ALA 40 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1na3 h ALA 40 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1na3 h ALA 40 CO 0.03 0.47 0.37 -1.49 0.00 0.00 0.00 179.25 178.63 1na3 h TRP 41 N 0.67 0.69 -0.19 0.00 4.06 -1.22 -0.41 115.95 119.56 1na3 h TRP 41 Ca 0.12 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.08 1na3 h TRP 41 Cb 0.61 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1na3 h TRP 41 CO 0.05 0.41 0.09 -0.92 -3.56 0.00 0.00 178.44 174.50 1na3 h TYR 42 N 0.73 0.27 -0.01 0.49 3.20 -0.87 -1.01 116.97 119.77 1na3 h TYR 42 Ca 0.22 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1na3 h TYR 42 Cb -0.02 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1na3 h TYR 42 CO -0.05 0.30 -0.59 -0.91 -1.64 0.00 0.00 178.16 175.27 1na3 h ASN 43 N 0.17 0.03 -0.68 -2.11 2.35 -0.93 -0.95 115.58 113.47 1na3 h ASN 43 Ca 0.06 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1na3 h ASN 43 Cb 0.13 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1na3 h ASN 43 CO -0.01 0.61 0.44 0.25 -1.65 0.00 0.00 177.43 177.07 1na3 h LEU 44 N 0.02 0.79 -0.41 1.61 5.85 -0.89 -0.35 115.31 121.93 1na3 h LEU 44 Ca -0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1na3 h LEU 44 Cb 1.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1na3 h LEU 44 CO 0.08 0.59 0.27 1.23 -0.34 0.00 0.00 178.44 180.26 1na3 h GLY 45 N 0.92 0.58 1.04 3.75 0.00 -0.64 -1.82 103.07 106.90 1na3 h GLY 45 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1na3 h GLY 45 CO -0.05 0.21 0.61 3.43 0.00 0.00 0.00 176.54 180.74 1na3 h ASN 46 N 0.55 1.13 -0.54 0.19 -0.26 -0.74 0.35 115.58 116.26 1na3 h ASN 46 Ca 0.15 -0.05 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 1na3 h ASN 46 Cb -0.06 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.90 1na3 h ASN 46 CO -0.04 0.84 0.14 0.00 -1.06 0.00 0.00 177.43 177.31 1na3 h ALA 47 N 1.36 0.71 -0.58 -0.83 0.00 -0.56 -0.11 119.26 119.24 1na3 h ALA 47 Ca 0.35 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1na3 h ALA 47 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1na3 h ALA 47 CO -0.07 0.39 0.06 1.88 0.00 0.00 0.00 179.25 181.51 1na3 h TYR 48 N 0.75 1.06 -0.66 0.00 -1.99 -1.09 -2.62 116.97 112.42 1na3 h TYR 48 Ca 0.17 -0.16 0.05 0.00 2.00 0.00 0.00 58.73 60.79 1na3 h TYR 48 Cb 0.32 -0.29 -0.05 0.00 2.00 0.00 0.00 36.73 38.71 1na3 h TYR 48 CO 0.02 0.93 0.38 -0.92 -0.00 0.00 0.00 178.16 178.57 1na3 h TYR 49 N 0.89 0.70 -0.20 4.88 3.20 -0.30 -0.80 116.97 125.33 1na3 h TYR 49 Ca 0.17 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1na3 h TYR 49 Cb 0.47 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1na3 h TYR 49 CO 0.03 0.35 0.13 0.87 -1.64 0.00 0.00 178.16 177.91 1na3 h LYS 50 N 0.71 0.24 -0.01 1.82 1.79 -0.81 -0.98 116.57 119.34 1na3 h LYS 50 Ca 0.29 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 1na3 h LYS 50 Cb 0.15 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1na3 h LYS 50 CO -0.16 0.16 -0.00 1.04 -1.08 0.00 0.00 179.45 179.40 1na3 n GLN 51 N -4.51 1.31 -0.81 3.15 6.02 -0.56 -4.91 117.38 117.08 1na3 n GLN 51 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 1na3 n GLN 51 Cb 0.09 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1na3 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1na3 n GLY 52 N 1.10 0.55 3.11 1.08 0.00 -0.37 -4.98 105.19 105.68 1na3 n GLY 52 Ca 0.21 -0.42 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 1na3 n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1na3 n ASP 53 N 0.77 5.98 0.10 1.61 8.00 -0.42 -4.84 116.55 127.76 1na3 n ASP 53 Ca 0.00 -3.26 -0.03 0.00 0.71 0.00 0.00 54.79 52.21 1na3 n ASP 53 Cb 0.00 -1.34 0.17 0.00 -0.02 0.00 0.00 41.12 39.94 1na3 n ASP 53 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1na3 h TYR 54 N 5.90 0.23 0.01 1.24 -1.99 -1.89 -1.90 116.97 118.56 1na3 h TYR 54 Ca 0.22 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1na3 h TYR 54 Cb 0.70 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1na3 h TYR 54 CO 0.97 0.68 -0.03 -0.44 -0.00 0.00 0.00 178.16 179.34 1na3 h ASP 55 N 0.15 -0.08 -0.47 3.88 3.45 -1.92 -0.91 116.42 120.52 1na3 h ASP 55 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1na3 h ASP 55 Cb 0.99 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.77 1na3 h ASP 55 CO 0.08 -0.04 0.30 -0.33 -1.57 0.00 0.00 179.24 177.68 1na3 h GLU 56 N -0.05 0.62 -0.61 3.56 3.07 -1.94 -2.62 114.58 116.61 1na3 h GLU 56 Ca 0.01 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1na3 h GLU 56 Cb 0.06 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 1na3 h GLU 56 CO -0.02 0.42 0.39 0.00 -1.40 0.00 0.00 179.01 178.40 1na3 h ALA 57 N 1.16 0.78 -0.23 3.43 0.00 -1.02 -1.80 119.26 121.58 1na3 h ALA 57 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1na3 h ALA 57 Cb -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1na3 h ALA 57 CO -0.04 0.16 -0.06 0.82 0.00 0.00 0.00 179.25 180.13 1na3 h ILE 58 N 0.78 0.76 -0.53 0.00 2.04 -1.04 0.18 117.51 119.70 1na3 h ILE 58 Ca 0.23 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1na3 h ILE 58 Cb -0.05 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 1na3 h ILE 58 CO -0.07 0.00 0.10 -0.08 0.00 0.00 0.00 178.15 178.10 1na3 h GLU 59 N -0.01 0.23 0.05 2.37 4.81 -1.07 -1.25 114.58 119.72 1na3 h GLU 59 Ca 0.11 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.09 1na3 h GLU 59 Cb 0.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1na3 h GLU 59 CO -0.24 0.15 -1.05 1.88 -0.73 0.00 0.00 179.01 179.02 1na3 h TYR 60 N 0.24 0.49 -0.70 0.92 0.99 -1.01 -1.87 116.97 116.03 1na3 h TYR 60 Ca 0.27 -0.31 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 1na3 h TYR 60 Cb 0.37 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.03 1na3 h TYR 60 CO -0.24 1.17 0.25 1.88 -0.00 0.00 0.00 178.16 181.22 1na3 h TYR 61 N 0.14 1.08 -0.61 4.88 0.99 -0.75 -1.13 116.97 121.57 1na3 h TYR 61 Ca -0.09 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.54 1na3 h TYR 61 Cb 1.73 -0.32 -0.03 0.00 1.00 0.00 0.00 36.73 39.11 1na3 h TYR 61 CO 0.05 0.84 0.37 1.96 -0.00 0.00 0.00 178.16 181.38 1na3 h GLN 62 N 1.03 0.82 -0.63 4.88 4.20 -1.07 -1.08 115.11 123.26 1na3 h GLN 62 Ca 0.23 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1na3 h GLN 62 Cb 0.25 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1na3 h GLN 62 CO -0.01 0.59 0.30 0.87 -0.67 0.00 0.00 178.83 179.91 1na3 h LYS 63 N 0.82 0.92 -0.66 1.46 1.79 -1.01 -2.23 116.57 117.65 1na3 h LYS 63 Ca 0.22 -0.14 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1na3 h LYS 63 Cb -0.02 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.42 1na3 h LYS 63 CO -0.04 0.74 0.40 0.00 -1.08 0.00 0.00 179.45 179.47 1na3 h ALA 64 N 1.13 0.87 0.00 3.86 0.00 -0.89 -2.62 119.26 121.61 1na3 h ALA 64 Ca 0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1na3 h ALA 64 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1na3 h ALA 64 CO -0.03 0.14 -0.20 -0.07 0.00 0.00 0.00 179.25 179.09 1na3 h LEU 65 N 0.77 0.00 -1.09 0.00 3.38 -0.87 -0.13 115.31 117.38 1na3 h LEU 65 Ca 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1na3 h LEU 65 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1na3 h LEU 65 CO -0.12 0.20 0.25 -0.08 0.09 0.00 0.00 178.44 178.78 1na3 h GLU 66 N 0.00 0.90 0.13 1.13 4.81 -1.02 -2.17 114.58 118.35 1na3 h GLU 66 Ca -0.00 -0.14 -0.34 0.00 -0.13 0.00 0.00 59.36 58.75 1na3 h GLU 66 Cb 0.80 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1na3 h GLU 66 CO 0.03 0.73 -1.79 -0.07 -0.73 0.00 0.00 179.01 177.18 1na3 h LEU 67 N 0.89 0.42 -6.52 1.64 3.38 -1.38 -3.41 115.31 110.33 1na3 h LEU 67 Ca 0.21 -0.74 -0.60 0.00 0.09 0.00 0.00 57.88 56.84 1na3 h LEU 67 Cb 0.17 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.38 1na3 h LEU 67 CO -0.02 1.64 -0.82 -0.67 0.09 0.00 0.00 178.44 178.66 1na3 n ASP 68 N -3.45 1.24 0.09 -0.43 2.03 -0.10 -5.00 116.55 110.92 1na3 n ASP 68 Ca -0.25 -2.82 0.20 0.00 0.52 0.00 0.00 54.79 52.45 1na3 n ASP 68 Cb 1.06 -0.64 0.75 0.00 -0.72 0.00 0.00 41.12 41.56 1na3 n ASP 68 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1na3 h PRO 69 N 5.13 0.00 -0.66 -0.67 0.11 -1.63 -2.21 132.00 132.08 1na3 h PRO 69 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1na3 h PRO 69 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1na3 h PRO 69 CO 0.55 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.43 1na3 n ASN 70 N -3.92 4.34 -4.55 -2.05 3.02 -1.26 -4.86 115.26 105.98 1na3 n ASN 70 Ca 0.07 -2.35 -0.38 0.00 -0.03 0.00 0.00 54.58 51.89 1na3 n ASN 70 Cb 0.56 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1na3 n ASN 70 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1na3 s ASN 71 N -0.88 5.08 0.30 6.41 3.84 -0.83 -4.85 114.94 124.00 1na3 s ASN 71 Ca 0.47 0.52 0.05 0.00 0.21 0.00 0.00 52.86 54.11 1na3 s ASN 71 Cb 0.30 -2.52 0.47 0.00 -0.55 0.00 0.00 41.25 38.95 1na3 s ASN 71 CO 0.24 -2.49 1.74 0.00 -2.79 0.00 0.00 177.10 173.80 1na3 h ALA 72 N 16.04 1.16 -0.22 1.71 0.00 -1.91 -2.39 119.26 133.65 1na3 h ALA 72 Ca -0.26 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.12 1na3 h ALA 72 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1na3 h ALA 72 CO 1.20 0.54 -0.61 0.93 0.00 0.00 0.00 179.25 181.31 1na3 h GLU 73 N 0.33 0.73 -0.38 0.00 3.07 -1.99 -0.97 114.58 115.38 1na3 h GLU 73 Ca 0.05 -0.50 0.01 0.00 -0.50 0.00 0.00 59.36 58.42 1na3 h GLU 73 Cb 0.67 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 1na3 h GLU 73 CO 0.05 1.12 0.24 0.00 -1.40 0.00 0.00 179.01 179.02 1na3 h ALA 74 N 0.77 0.48 -0.27 3.43 0.00 -1.93 -0.46 119.26 121.28 1na3 h ALA 74 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1na3 h ALA 74 Cb 1.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1na3 h ALA 74 CO 0.12 -0.08 0.16 -0.22 0.00 0.00 0.00 179.25 179.23 1na3 h LYS 75 N 0.49 0.32 -0.35 0.00 3.64 -1.27 -0.16 116.57 119.24 1na3 h LYS 75 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1na3 h LYS 75 Cb -0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1na3 h LYS 75 CO -0.04 0.21 0.23 1.96 -2.27 0.00 0.00 179.45 179.54 1na3 h GLN 76 N 0.33 0.47 -0.07 1.90 4.20 -1.04 -1.61 115.11 119.29 1na3 h GLN 76 Ca 0.10 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 1na3 h GLN 76 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1na3 h GLN 76 CO -0.05 0.32 -0.64 -0.91 -0.67 0.00 0.00 178.83 176.89 1na3 h ASN 77 N 0.47 0.30 -0.23 1.46 2.35 -0.97 -1.80 115.58 117.16 1na3 h ASN 77 Ca 0.13 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1na3 h ASN 77 Cb -0.04 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1na3 h ASN 77 CO -0.03 0.86 0.01 0.25 -1.65 0.00 0.00 177.43 176.87 1na3 h LEU 78 N 0.19 -0.07 -0.88 1.61 5.85 -0.87 0.43 115.31 121.57 1na3 h LEU 78 Ca -0.01 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1na3 h LEU 78 Cb 1.16 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1na3 h LEU 78 CO 0.10 -0.01 0.12 1.23 -0.34 0.00 0.00 178.44 179.54 1na3 h GLY 79 N 0.08 1.02 0.92 3.75 0.00 -0.99 -1.30 103.07 106.56 1na3 h GLY 79 Ca 0.11 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1na3 h GLY 79 CO -0.18 0.59 0.11 -0.57 0.00 0.00 0.00 176.54 176.48 1na3 h ASN 80 N 0.90 0.29 -0.83 0.19 -1.24 -1.11 -2.49 115.58 111.29 1na3 h ASN 80 Ca 0.19 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 57.10 1na3 h ASN 80 Cb 0.36 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 1na3 h ASN 80 CO 0.00 0.33 0.54 0.00 -1.29 0.00 0.00 177.43 177.01 1na3 h ALA 81 N 0.97 1.08 -0.19 1.57 0.00 -0.61 -2.14 119.26 119.94 1na3 h ALA 81 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1na3 h ALA 81 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1na3 h ALA 81 CO -0.01 0.40 -0.03 0.87 0.00 0.00 0.00 179.25 180.48 1na3 h LYS 82 N 1.07 0.28 0.00 0.00 1.57 -1.09 -0.60 116.57 117.79 1na3 h LYS 82 Ca 0.32 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1na3 h LYS 82 Cb -0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1na3 h LYS 82 CO -0.10 0.33 -0.15 1.96 -0.57 0.00 0.00 179.45 180.92 1na3 h GLN 83 N 0.27 0.00 0.00 3.15 1.08 -0.93 -3.12 115.11 115.57 1na3 h GLN 83 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1na3 h GLN 83 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1na3 h GLN 83 CO 0.01 0.15 -1.03 1.63 -0.95 0.00 0.00 178.83 178.64 1na3 n LYS 84 N -3.30 0.07 0.06 1.46 5.02 -0.49 -4.54 118.16 116.45 1na3 n LYS 84 Ca 0.00 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 1na3 n LYS 84 Cb 0.40 -1.51 0.18 0.00 -0.02 0.00 0.00 35.03 34.07 1na3 n LYS 84 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1na3 h GLN 85 N 0.00 0.34 0.00 1.97 4.15 -1.09 -3.49 115.11 116.99 1na3 h GLN 85 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1na3 h GLN 85 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1na3 h GLN 85 CO 0.00 0.71 0.00 0.41 -1.93 0.00 0.00 178.83 178.02