#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da6 s SER 2 N 0.00 -0.17 0.47 1.61 1.04 -1.26 -5.01 113.70 110.38 2da6 s SER 2 Ca 0.00 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.48 2da6 s SER 2 Cb 0.00 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 2da6 s SER 2 CO 0.00 -0.27 0.04 -0.94 0.98 0.00 0.00 173.24 173.05 2da6 s SER 3 N -2.08 3.67 -0.57 7.02 1.04 -1.26 -5.06 113.70 116.46 2da6 s SER 3 Ca 0.08 -1.63 0.01 0.00 0.48 0.00 0.00 55.95 54.89 2da6 s SER 3 Cb -0.01 0.42 0.44 0.00 0.10 0.00 0.00 66.02 66.98 2da6 s SER 3 CO -0.05 -0.84 1.77 0.61 0.98 0.00 0.00 173.24 175.72 2da6 n GLY 4 N -1.12 6.00 2.97 7.32 0.00 -1.26 -4.96 105.19 114.15 2da6 n GLY 4 Ca -0.14 -2.44 -0.15 0.00 0.00 0.00 0.00 46.02 43.29 2da6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2da6 s SER 5 N -2.32 0.64 0.73 1.61 0.15 -1.26 -5.15 113.70 108.10 2da6 s SER 5 Ca 0.60 -0.16 -0.13 0.00 0.70 0.00 0.00 55.95 56.96 2da6 s SER 5 Cb 0.47 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2da6 s SER 5 CO -0.03 0.03 1.11 -0.94 1.20 0.00 0.00 173.24 174.61 2da6 s SER 6 N -0.32 4.66 0.00 5.45 1.04 -1.26 -4.67 113.70 118.60 2da6 s SER 6 Ca 0.00 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.40 2da6 s SER 6 Cb -0.03 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2da6 s SER 6 CO -0.00 -1.93 0.00 0.61 0.98 0.00 0.00 173.24 172.90 2da6 n GLY 7 N -0.70 0.86 3.72 7.32 0.00 -1.26 -5.11 105.19 110.02 2da6 n GLY 7 Ca 0.10 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2da6 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2da6 s ARG 8 N 0.00 4.52 0.51 1.61 3.00 -1.26 -5.06 118.95 122.26 2da6 s ARG 8 Ca 0.00 1.16 0.09 0.00 0.00 0.00 0.00 55.73 56.98 2da6 s ARG 8 Cb 0.00 -3.42 0.05 0.00 0.00 0.00 0.00 34.95 31.58 2da6 s ARG 8 CO 0.00 0.11 0.68 -0.80 0.00 0.00 0.00 175.30 175.30 2da6 s ASN 9 N 0.52 5.31 -0.44 0.23 0.01 -1.26 -4.98 114.94 114.32 2da6 s ASN 9 Ca 0.43 -0.68 -0.41 0.00 -0.71 0.00 0.00 52.86 51.49 2da6 s ASN 9 Cb -0.20 -0.11 -0.18 0.00 0.41 0.00 0.00 41.25 41.18 2da6 s ASN 9 CO 0.24 -1.08 1.48 -1.14 -1.51 0.00 0.00 177.10 175.08 2da6 n ARG 10 N -2.06 0.00 -2.44 -0.60 0.63 -1.26 -4.79 116.66 106.14 2da6 n ARG 10 Ca 0.12 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 2da6 n ARG 10 Cb 0.61 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 32.16 2da6 n ARG 10 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 2da6 s PHE 11 N 2.99 2.32 -0.06 -0.14 5.36 -1.26 -4.99 117.98 122.20 2da6 s PHE 11 Ca 0.95 0.39 -0.27 0.00 -0.96 0.00 0.00 56.93 57.03 2da6 s PHE 11 Cb -1.33 -4.44 -0.03 0.00 -0.34 0.00 0.00 43.02 36.88 2da6 s PHE 11 CO 0.71 -1.93 0.87 0.21 -1.46 0.00 0.00 175.22 173.62 2da6 s LYS 12 N 5.50 4.47 0.64 10.12 2.20 -1.26 -5.03 119.74 136.39 2da6 s LYS 12 Ca 0.48 1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 57.11 2da6 s LYS 12 Cb -0.10 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2da6 s LYS 12 CO 0.23 -0.08 1.18 -1.58 -0.36 0.00 0.00 175.35 174.74 2da6 s TRP 13 N 1.20 2.37 0.52 4.03 0.52 -1.26 -5.04 118.94 121.29 2da6 s TRP 13 Ca 0.45 1.55 -0.07 0.00 0.02 0.00 0.00 56.10 58.05 2da6 s TRP 13 Cb -0.19 -3.38 0.12 0.00 -1.15 0.00 0.00 33.47 28.86 2da6 s TRP 13 CO 0.22 -2.14 0.71 0.41 0.02 0.00 0.00 176.95 176.17 2da6 n GLY 14 N 0.19 -0.83 0.19 0.98 0.00 -1.26 -4.85 105.19 99.61 2da6 n GLY 14 Ca 0.13 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 2da6 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 h PRO 15 N 0.00 0.62 0.09 1.61 0.13 -2.00 -2.73 132.00 129.71 2da6 h PRO 15 Ca -0.23 -0.33 -0.13 0.00 -0.87 0.00 0.00 66.00 64.44 2da6 h PRO 15 Cb 0.68 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.83 2da6 h PRO 15 CO 0.18 0.93 -0.60 0.00 -0.23 0.00 0.00 178.00 178.27 2da6 h ALA 16 N 0.68 -0.03 -0.32 -0.56 0.00 -1.94 -3.28 119.26 113.81 2da6 h ALA 16 Ca 0.04 -0.68 0.07 0.00 0.00 0.00 0.00 54.91 54.34 2da6 h ALA 16 Cb 0.81 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2da6 h ALA 16 CO 0.06 0.30 -0.25 0.66 0.00 0.00 0.00 179.25 180.02 2da6 h SER 17 N -0.60 -0.84 0.03 0.00 4.64 -1.85 -2.07 113.55 112.86 2da6 h SER 17 Ca -0.11 0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2da6 h SER 17 Cb 1.42 0.41 -0.04 0.00 -0.31 0.00 0.00 62.40 63.88 2da6 h SER 17 CO 0.08 -0.28 -0.41 1.56 -0.87 0.00 0.00 176.83 176.91 2da6 h GLN 18 N -0.22 -0.51 -0.95 4.77 4.20 -1.63 -1.41 115.11 119.36 2da6 h GLN 18 Ca 0.16 0.04 0.28 0.00 0.06 0.00 0.00 58.65 59.19 2da6 h GLN 18 Cb 0.48 0.12 -0.17 0.00 0.30 0.00 0.00 27.48 28.21 2da6 h GLN 18 CO -0.45 -0.34 0.20 1.96 -0.67 0.00 0.00 178.83 179.52 2da6 h GLN 19 N -0.53 0.08 -0.92 1.46 1.08 -1.53 0.82 115.11 115.57 2da6 h GLN 19 Ca 0.00 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2da6 h GLN 19 Cb 0.56 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 2da6 h GLN 19 CO -0.26 0.06 0.59 0.82 -0.95 0.00 0.00 178.83 179.09 2da6 h ILE 20 N 0.09 1.11 -0.88 2.54 2.04 -0.58 -1.61 117.51 120.21 2da6 h ILE 20 Ca 0.62 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 2da6 h ILE 20 Cb 1.35 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2da6 h ILE 20 CO -0.79 0.20 0.48 -0.07 0.00 0.00 0.00 178.15 177.97 2da6 h LEU 21 N 1.10 1.10 -0.17 1.44 3.38 0.13 -2.45 115.31 119.85 2da6 h LEU 21 Ca 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 21 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2da6 h LEU 21 CO -0.15 0.88 0.02 1.88 0.09 0.00 0.00 178.44 181.16 2da6 h TYR 22 N 1.23 0.30 -0.85 1.13 0.05 -0.77 0.99 116.97 119.05 2da6 h TYR 22 Ca 0.31 -0.05 0.12 0.00 0.05 0.00 0.00 58.73 59.17 2da6 h TYR 22 Cb 0.03 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.62 2da6 h TYR 22 CO 0.01 0.46 0.55 1.96 -1.05 0.00 0.00 178.16 180.09 2da6 h GLN 23 N 0.06 0.68 0.01 4.88 1.08 -1.09 0.21 115.11 120.94 2da6 h GLN 23 Ca 0.05 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2da6 h GLN 23 Cb 0.32 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2da6 h GLN 23 CO 0.00 0.45 -0.01 0.00 -0.95 0.00 0.00 178.83 178.33 2da6 h ALA 24 N 1.60 -0.02 -0.68 3.87 0.00 -1.23 -3.30 119.26 119.50 2da6 h ALA 24 Ca 0.41 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2da6 h ALA 24 Cb 0.61 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2da6 h ALA 24 CO -0.18 -0.06 0.45 -0.92 0.00 0.00 0.00 179.25 178.54 2da6 h TYR 25 N -0.92 0.56 -0.47 0.00 5.03 -0.44 0.17 116.97 120.90 2da6 h TYR 25 Ca -0.00 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.34 2da6 h TYR 25 Cb 0.81 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.88 2da6 h TYR 25 CO 0.22 0.26 0.31 0.22 -1.32 0.00 0.00 178.16 177.85 2da6 h ASP 26 N 0.53 0.49 0.00 -2.11 3.58 -0.68 -3.06 116.42 115.16 2da6 h ASP 26 Ca 0.31 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.69 2da6 h ASP 26 Cb 0.52 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2da6 h ASP 26 CO -0.10 0.34 -0.39 0.03 -2.88 0.00 0.00 179.24 176.24 2da6 h ARG 27 N 0.57 0.00 -5.36 0.28 3.08 -1.10 -3.47 114.38 108.38 2da6 h ARG 27 Ca 0.18 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.72 2da6 h ARG 27 Cb 0.04 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.79 2da6 h ARG 27 CO -0.04 0.86 -0.82 -1.14 -1.07 0.00 0.00 179.97 177.75 2da6 s GLN 28 N -2.20 1.33 0.01 0.04 2.00 -0.42 -5.03 119.66 115.39 2da6 s GLN 28 Ca -0.20 -0.55 -0.00 0.00 -2.00 0.00 0.00 55.36 52.62 2da6 s GLN 28 Cb 0.00 -1.25 -0.26 0.00 0.80 0.00 0.00 33.01 32.30 2da6 s GLN 28 CO 0.57 0.30 0.88 0.87 -0.50 0.00 0.00 175.29 177.41 2da6 h LYS 29 N 5.89 0.19 -3.25 1.67 1.79 -1.86 -3.33 116.57 117.67 2da6 h LYS 29 Ca -0.35 -0.32 -0.64 0.00 -2.18 0.00 0.00 60.65 57.16 2da6 h LYS 29 Cb 1.16 0.12 -0.40 0.00 -1.58 0.00 0.00 32.23 31.53 2da6 h LYS 29 CO 0.48 1.03 -0.51 0.54 -1.08 0.00 0.00 179.45 179.91 2da6 s ASN 30 N -6.84 4.85 0.13 0.86 2.20 -1.26 -4.97 114.94 109.90 2da6 s ASN 30 Ca -0.07 -3.50 -0.31 0.00 -0.94 0.00 0.00 52.86 48.04 2da6 s ASN 30 Cb 0.07 -1.69 -0.08 0.00 -2.00 0.00 0.00 41.25 37.55 2da6 s ASN 30 CO 0.84 -0.17 1.35 -2.16 -2.94 0.00 0.00 177.10 174.03 2da6 s PRO 31 N -0.97 4.35 0.75 3.55 0.04 -1.26 -5.03 135.00 136.42 2da6 s PRO 31 Ca 0.22 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 2da6 s PRO 31 Cb -0.13 -3.25 0.14 0.00 0.04 0.00 0.00 34.50 31.31 2da6 s PRO 31 CO -0.10 -0.38 1.03 -1.12 0.04 0.00 0.00 177.00 176.48 2da6 s SER 32 N 0.92 4.18 0.15 6.66 0.01 -1.26 -4.40 113.70 119.97 2da6 s SER 32 Ca 0.62 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 57.33 2da6 s SER 32 Cb -0.36 0.08 0.10 0.00 0.21 0.00 0.00 66.02 66.05 2da6 s SER 32 CO 0.32 -1.98 1.14 1.17 0.41 0.00 0.00 173.24 174.29 2da6 n LYS 33 N -2.92 -0.22 0.21 12.44 0.00 -1.26 -0.02 118.16 126.39 2da6 n LYS 33 Ca 0.16 1.12 -0.11 0.00 0.00 0.00 0.00 58.31 59.48 2da6 n LYS 33 Cb 0.61 -1.66 -0.06 0.00 0.00 0.00 0.00 35.03 33.92 2da6 n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2da6 h GLU 34 N 0.00 -0.64 -0.02 1.64 3.07 -1.98 0.15 114.58 116.80 2da6 h GLU 34 Ca 0.21 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 2da6 h GLU 34 Cb 0.39 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2da6 h GLU 34 CO -0.72 -0.42 -0.06 0.93 -1.40 0.00 0.00 179.01 177.34 2da6 h GLU 35 N -0.66 -0.06 -0.86 2.33 5.08 -1.29 -0.28 114.58 118.85 2da6 h GLU 35 Ca -0.05 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.52 2da6 h GLU 35 Cb 0.55 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.66 2da6 h GLU 35 CO 0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 179.01 177.99 2da6 h ARG 36 N -0.06 0.07 -0.44 2.33 3.08 -0.49 0.23 114.38 119.11 2da6 h ARG 36 Ca 0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 2da6 h ARG 36 Cb 0.07 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 2da6 h ARG 36 CO -0.05 0.05 0.02 0.93 -1.07 0.00 0.00 179.97 179.85 2da6 h GLU 37 N 0.07 0.13 -0.11 0.04 4.39 0.10 0.19 114.58 119.40 2da6 h GLU 37 Ca 0.49 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 60.21 2da6 h GLU 37 Cb 0.91 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2da6 h GLU 37 CO -0.77 0.09 0.39 0.00 -1.16 0.00 0.00 179.01 177.55 2da6 h ALA 38 N 1.37 1.56 0.00 3.43 0.00 0.12 0.49 119.26 126.24 2da6 h ALA 38 Ca 0.22 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 2da6 h ALA 38 Cb 0.30 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2da6 h ALA 38 CO -0.34 -0.44 -1.65 1.28 0.00 0.00 0.00 179.25 178.10 2da6 n LEU 39 N -3.09 0.57 -0.10 0.00 4.77 0.57 -2.80 117.00 116.92 2da6 n LEU 39 Ca 0.01 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2da6 n LEU 39 Cb 0.47 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2da6 n LEU 39 CO 0.17 0.16 0.53 0.58 -1.33 0.00 0.00 177.39 177.49 2da6 h VAL 40 N 0.00 1.28 0.09 4.08 2.07 0.93 -1.98 116.25 122.72 2da6 h VAL 40 Ca -0.19 -1.57 -0.20 0.00 0.82 0.00 0.00 66.70 65.57 2da6 h VAL 40 Cb 1.56 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2da6 h VAL 40 CO 0.03 0.51 -0.97 1.05 0.02 0.00 0.00 177.57 178.22 2da6 h GLU 41 N 0.63 0.20 -0.42 1.57 4.11 -1.57 -3.13 114.58 115.96 2da6 h GLU 41 Ca 0.04 -0.34 0.06 0.00 0.07 0.00 0.00 59.36 59.19 2da6 h GLU 41 Cb 0.98 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2da6 h GLU 41 CO 0.09 1.16 0.13 1.49 0.07 0.00 0.00 179.01 181.96 2da6 h GLU 42 N -0.51 0.28 0.46 1.06 4.57 -1.62 0.81 114.58 119.63 2da6 h GLU 42 Ca -0.21 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 2da6 h GLU 42 Cb 1.55 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 2da6 h GLU 42 CO 0.05 0.18 -0.22 0.00 -1.18 0.00 0.00 179.01 177.84 2da6 h ASN 44 N -0.65 0.45 0.47 0.00 2.35 -1.49 0.17 115.58 116.88 2da6 h ASN 44 Ca -0.06 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2da6 h ASN 44 Cb 0.48 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2da6 h ASN 44 CO 0.10 0.05 -0.23 -0.09 -1.65 0.00 0.00 177.43 175.61 2da6 h ARG 45 N 0.38 -0.61 -0.96 0.81 2.43 -0.65 -2.71 114.38 113.07 2da6 h ARG 45 Ca 0.63 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.90 2da6 h ARG 45 Cb 1.61 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 31.23 2da6 h ARG 45 CO -0.35 -0.31 0.62 0.00 -1.51 0.00 0.00 179.97 178.42 2da6 h ALA 46 N -0.54 1.30 -0.75 2.80 0.00 0.31 -2.01 119.26 120.37 2da6 h ALA 46 Ca -0.06 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2da6 h ALA 46 Cb 0.58 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2da6 h ALA 46 CO 0.11 0.44 0.39 0.93 0.00 0.00 0.00 179.25 181.12 2da6 h GLU 47 N 1.15 0.64 -0.54 0.00 5.08 -0.71 -1.09 114.58 119.12 2da6 h GLU 47 Ca 0.40 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 2da6 h GLU 47 Cb 0.09 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2da6 h GLU 47 CO -0.15 0.42 0.06 0.00 -1.00 0.00 0.00 179.01 178.35 2da6 h LEU 49 N 0.79 -0.74 -0.39 0.00 3.38 -0.85 1.96 115.31 119.44 2da6 h LEU 49 Ca 0.16 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 49 Cb 0.44 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2da6 h LEU 49 CO 0.01 -0.50 -0.10 0.06 0.09 0.00 0.00 178.44 178.01 2da6 h GLN 50 N -0.82 0.00 0.00 1.13 3.07 -1.30 0.49 115.11 117.68 2da6 h GLN 50 Ca -0.08 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 2da6 h GLN 50 Cb 0.64 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 2da6 h GLN 50 CO 0.12 0.00 0.00 0.54 0.09 0.00 0.00 178.83 179.58 2da6 n ARG 51 N -5.30 0.28 0.00 0.06 1.74 -0.51 -4.83 116.66 108.10 2da6 n ARG 51 Ca 0.02 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2da6 n ARG 51 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2da6 n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2da6 n GLY 52 N -0.15 2.92 3.29 -0.13 0.00 0.17 -5.02 105.19 106.28 2da6 n GLY 52 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2da6 n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2da6 n VAL 53 N -0.57 0.00 -3.80 1.61 0.31 0.64 -4.77 118.33 111.76 2da6 n VAL 53 Ca 0.00 -0.24 -0.37 0.00 -0.01 0.00 0.00 64.34 63.73 2da6 n VAL 53 Cb 0.00 -0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 2da6 n VAL 53 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2da6 s SER 54 N -2.54 6.48 0.00 4.52 0.15 -1.26 -3.19 113.70 117.86 2da6 s SER 54 Ca 0.63 0.57 0.15 0.00 0.70 0.00 0.00 55.95 58.00 2da6 s SER 54 Cb -0.17 -2.10 0.85 0.00 -1.71 0.00 0.00 66.02 62.89 2da6 s SER 54 CO 0.59 0.37 1.38 -0.81 1.20 0.00 0.00 173.24 175.96 2da6 n PRO 55 N 1.79 0.36 -0.00 5.44 -0.04 -1.26 -1.92 135.00 139.36 2da6 n PRO 55 Ca -0.17 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.45 2da6 n PRO 55 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 2da6 n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2da6 n SER 56 N -1.13 0.66 -1.32 3.54 2.88 -1.26 -4.31 113.62 112.68 2da6 n SER 56 Ca 0.10 -0.53 -0.08 0.00 -1.33 0.00 0.00 58.87 57.03 2da6 n SER 56 Cb 0.08 1.42 0.18 0.00 -0.75 0.00 0.00 64.21 65.15 2da6 n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2da6 n LYS 57 N -1.80 1.98 -0.27 -1.46 4.76 -0.81 -4.72 118.16 115.84 2da6 n LYS 57 Ca 0.00 -3.25 0.18 0.00 -2.87 0.00 0.00 58.31 52.37 2da6 n LYS 57 Cb 0.41 -1.88 0.47 0.00 -1.84 0.00 0.00 35.03 32.19 2da6 n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2da6 h ALA 58 N 1.10 2.11 -1.24 7.82 0.00 -1.75 -0.36 119.26 126.94 2da6 h ALA 58 Ca 0.27 0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.57 2da6 h ALA 58 Cb 1.69 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2da6 h ALA 58 CO 0.50 -0.41 1.17 1.12 0.00 0.00 0.00 179.25 181.62 2da6 h HIS 59 N 0.48 0.00 -0.51 0.00 2.07 -1.93 0.96 115.15 116.21 2da6 h HIS 59 Ca 0.49 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.90 2da6 h HIS 59 Cb 1.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.09 2da6 h HIS 59 CO -0.00 0.00 -0.14 0.78 -3.07 0.00 0.00 177.93 175.50 2da6 h GLY 60 N 0.00 1.08 -0.81 6.13 0.00 -1.46 -3.11 103.07 104.91 2da6 h GLY 60 Ca 0.59 -0.90 0.34 0.00 0.00 0.00 0.00 47.33 47.35 2da6 h GLY 60 CO -0.01 0.83 0.44 1.04 0.00 0.00 0.00 176.54 178.84 2da6 n LEU 61 N -4.16 0.28 0.00 3.11 4.77 0.33 -4.66 117.00 116.67 2da6 n LEU 61 Ca 0.01 1.34 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 2da6 n LEU 61 Cb 0.42 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2da6 n LEU 61 CO 0.46 -1.50 0.00 0.61 -1.33 0.00 0.00 177.39 175.63 2da6 n GLY 62 N -1.21 0.63 0.23 -0.72 0.00 -1.18 -0.82 105.19 102.12 2da6 n GLY 62 Ca 0.31 0.64 0.02 0.00 0.00 0.00 0.00 46.02 46.99 2da6 n GLY 62 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2da6 h SER 63 N 0.00 0.17 -0.37 1.61 0.87 -1.94 -1.51 113.55 112.38 2da6 h SER 63 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2da6 h SER 63 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2da6 h SER 63 CO 0.00 0.38 0.00 -3.20 -0.53 0.00 0.00 176.83 173.48 2da6 n ASN 64 N -4.23 2.06 -4.74 6.23 2.85 0.00 -4.87 115.26 112.56 2da6 n ASN 64 Ca -0.01 -2.02 -0.40 0.00 -0.11 0.00 0.00 54.58 52.04 2da6 n ASN 64 Cb 0.30 -0.26 -0.05 0.00 1.24 0.00 0.00 39.78 41.01 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2da6 s LEU 65 N -1.01 4.51 0.09 1.20 2.96 -0.57 -4.92 118.68 120.93 2da6 s LEU 65 Ca 0.25 1.71 -0.11 0.00 -0.22 0.00 0.00 54.13 55.76 2da6 s LEU 65 Cb 0.13 -3.47 -0.06 0.00 0.50 0.00 0.00 46.19 43.29 2da6 s LEU 65 CO 0.17 0.01 0.43 -0.69 -1.32 0.00 0.00 176.35 174.94 2da6 s VAL 66 N -0.26 5.04 0.03 1.68 1.01 -1.26 -4.94 120.40 121.69 2da6 s VAL 66 Ca 0.43 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2da6 s VAL 66 Cb -0.23 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2da6 s VAL 66 CO 0.28 0.30 -0.03 0.42 0.00 0.00 0.00 175.10 176.07 2da6 s THR 67 N -1.39 0.16 0.32 3.92 -4.23 -1.26 -4.90 115.64 108.26 2da6 s THR 67 Ca 0.33 -1.04 0.26 0.00 -1.18 0.00 0.00 61.69 60.06 2da6 s THR 67 Cb -0.14 -0.45 0.39 0.00 1.34 0.00 0.00 72.50 73.64 2da6 s THR 67 CO 0.18 -0.56 1.07 1.21 -0.54 0.00 0.00 174.62 175.99 2da6 n GLU 68 N 1.40 -0.02 0.03 3.99 2.13 -1.26 0.20 120.64 127.10 2da6 n GLU 68 Ca -0.23 0.83 -0.13 0.00 0.66 0.00 0.00 57.16 58.30 2da6 n GLU 68 Cb 0.56 -1.71 -0.09 0.00 0.27 0.00 0.00 31.44 30.47 2da6 n GLU 68 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2da6 h VAL 69 N 0.00 1.16 -0.63 6.31 2.07 -1.96 -2.23 116.25 120.97 2da6 h VAL 69 Ca 0.62 -1.02 0.11 0.00 0.82 0.00 0.00 66.70 67.23 2da6 h VAL 69 Cb 2.13 1.81 -0.12 0.00 -1.52 0.00 0.00 31.29 33.59 2da6 h VAL 69 CO -0.24 0.25 -0.31 0.03 0.02 0.00 0.00 177.57 177.32 2da6 h ARG 70 N -0.59 -0.12 -0.77 1.57 2.47 0.18 0.17 114.38 117.30 2da6 h ARG 70 Ca -0.01 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2da6 h ARG 70 Cb 0.49 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.80 2da6 h ARG 70 CO 0.02 -0.08 0.31 0.28 0.56 0.00 0.00 179.97 181.06 2da6 h VAL 71 N -0.12 1.26 -0.74 2.04 2.07 -1.56 -1.67 116.25 117.51 2da6 h VAL 71 Ca 0.26 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 67.03 2da6 h VAL 71 Cb 0.55 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2da6 h VAL 71 CO -0.70 0.33 0.44 0.22 0.02 0.00 0.00 177.57 177.88 2da6 h TYR 72 N 1.12 0.82 0.18 1.57 5.03 -0.11 -1.62 116.97 123.97 2da6 h TYR 72 Ca 0.26 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.58 2da6 h TYR 72 Cb 0.21 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 38.23 2da6 h TYR 72 CO 0.02 0.42 -0.09 -0.91 -1.32 0.00 0.00 178.16 176.28 2da6 h ASN 73 N 0.83 -0.20 -0.93 -2.11 2.35 -0.72 -2.36 115.58 112.43 2da6 h ASN 73 Ca 0.32 -0.31 0.25 0.00 -0.55 0.00 0.00 56.30 56.01 2da6 h ASN 73 Cb 0.14 0.05 -0.13 0.00 0.05 0.00 0.00 38.32 38.43 2da6 h ASN 73 CO -0.16 0.25 0.44 -0.25 -1.65 0.00 0.00 177.43 176.06 2da6 h TRP 74 N -0.72 0.72 -0.24 1.19 7.01 -1.13 0.41 115.95 123.19 2da6 h TRP 74 Ca -0.02 0.04 -0.15 0.00 2.11 0.00 0.00 58.89 60.87 2da6 h TRP 74 Cb 0.50 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2da6 h TRP 74 CO 0.06 -0.09 -0.45 0.74 -2.79 0.00 0.00 178.44 175.91 2da6 h PHE 75 N 0.38 0.73 -0.50 2.65 -1.00 -1.29 -2.77 116.94 115.14 2da6 h PHE 75 Ca 0.61 -0.23 0.03 0.00 2.81 0.00 0.00 57.97 61.19 2da6 h PHE 75 Cb 1.23 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 40.61 2da6 h PHE 75 CO -0.11 0.95 0.28 0.00 -1.61 0.00 0.00 178.31 177.82 2da6 h ALA 76 N 1.01 0.65 -0.61 2.45 0.00 0.35 -1.64 119.26 121.46 2da6 h ALA 76 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2da6 h ALA 76 Cb 0.98 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2da6 h ALA 76 CO 0.09 -0.04 0.03 -0.97 0.00 0.00 0.00 179.25 178.37 2da6 h ASN 77 N 0.56 1.03 0.14 0.00 -0.00 -1.30 -0.36 115.58 115.64 2da6 h ASN 77 Ca 0.21 -0.29 -0.02 0.00 -0.00 0.00 0.00 56.30 56.20 2da6 h ASN 77 Cb 0.07 -0.28 -0.00 0.00 -0.00 0.00 0.00 38.32 38.11 2da6 h ASN 77 CO -0.12 1.07 -0.08 0.03 -0.00 0.00 0.00 177.43 178.33 2da6 h ARG 78 N 0.96 0.00 0.00 6.67 2.47 -1.15 -0.51 114.38 122.82 2da6 h ARG 78 Ca 0.18 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.68 2da6 h ARG 78 Cb 0.52 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 2da6 h ARG 78 CO 0.02 0.08 -1.47 0.00 0.56 0.00 0.00 179.97 179.16 2da6 h ARG 79 N 0.00 0.00 0.00 0.04 3.08 -0.86 -3.19 114.38 113.45 2da6 h ARG 79 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2da6 h ARG 79 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2da6 h ARG 79 CO 0.01 0.40 -0.67 0.87 -1.07 0.00 0.00 179.97 179.51 2da6 h LYS 80 N 0.00 0.00 0.01 0.04 1.57 -0.30 -2.87 116.57 115.03 2da6 h LYS 80 Ca -0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2da6 h LYS 80 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.06 2da6 h LYS 80 CO 0.06 0.67 -0.13 1.05 -0.57 0.00 0.00 179.45 180.54 2da6 h GLU 81 N 0.00 0.06 -0.99 3.15 4.11 -1.25 -2.29 114.58 117.37 2da6 h GLU 81 Ca -0.01 -0.09 0.06 0.00 0.07 0.00 0.00 59.36 59.40 2da6 h GLU 81 Cb 1.34 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.56 2da6 h GLU 81 CO 0.09 0.96 0.65 1.05 0.07 0.00 0.00 179.01 181.83 2da6 h GLU 82 N -0.80 1.16 0.00 1.06 4.11 -1.64 -0.17 114.58 118.29 2da6 h GLU 82 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2da6 h GLU 82 Cb 1.02 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2da6 h GLU 82 CO 0.02 0.76 0.00 0.00 0.07 0.00 0.00 179.01 179.87 2da6 h ALA 83 N 1.45 1.00 0.28 1.06 0.00 -1.60 -3.35 119.26 118.09 2da6 h ALA 83 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2da6 h ALA 83 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2da6 h ALA 83 CO -0.16 0.00 -0.29 0.35 0.00 0.00 0.00 179.25 179.15 2da6 h PHE 84 N 0.00 -0.81 -0.97 0.00 3.04 -0.41 0.16 116.94 117.96 2da6 h PHE 84 Ca 0.00 0.01 0.28 0.00 3.98 0.00 0.00 57.97 62.24 2da6 h PHE 84 Cb 0.76 0.32 -0.04 0.00 2.56 0.00 0.00 35.95 39.54 2da6 h PHE 84 CO 0.00 -0.38 1.19 0.00 -2.02 0.00 0.00 178.31 177.09 2da6 h ARG 85 N -0.57 0.00 0.09 1.11 3.08 -1.70 1.72 114.38 118.11 2da6 h ARG 85 Ca -0.03 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 2da6 h ARG 85 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2da6 h ARG 85 CO -0.04 0.00 -1.96 1.04 -1.07 0.00 0.00 179.97 177.94 2da6 n GLN 86 N -3.23 0.72 0.09 0.04 6.02 -0.44 -4.08 117.38 116.51 2da6 n GLN 86 Ca 0.22 0.26 -0.13 0.00 -0.01 0.00 0.00 57.00 57.34 2da6 n GLN 86 Cb 1.48 -1.72 -0.08 0.00 1.02 0.00 0.00 30.24 30.94 2da6 n GLN 86 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2da6 h LYS 87 N 0.05 -0.17 0.00 -1.09 3.64 0.54 -2.03 116.57 117.50 2da6 h LYS 87 Ca -0.40 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2da6 h LYS 87 Cb 2.03 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 2da6 h LYS 87 CO 0.08 0.04 0.11 1.47 -2.27 0.00 0.00 179.45 178.88 2da6 n LEU 88 N -5.09 0.30 0.00 5.20 -0.00 -0.32 -0.83 117.00 116.27 2da6 n LEU 88 Ca -0.09 0.58 -0.20 0.00 -0.00 0.00 0.00 56.01 56.30 2da6 n LEU 88 Cb 0.16 -0.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.85 2da6 n LEU 88 CO 0.33 -0.68 -0.79 0.00 -0.00 0.00 0.00 177.39 176.25 2da6 n ALA 89 N -1.59 0.95 -0.35 1.47 0.00 -0.81 -4.17 120.51 116.01 2da6 n ALA 89 Ca -0.01 -0.61 0.13 0.00 0.00 0.00 0.00 53.44 52.95 2da6 n ALA 89 Cb 0.13 -0.69 0.33 0.00 0.00 0.00 0.00 19.45 19.22 2da6 n ALA 89 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2da6 h MET 90 N 0.06 0.73 0.00 0.00 2.86 -0.48 -3.42 114.93 114.68 2da6 h MET 90 Ca -0.41 -0.04 -0.26 0.00 -2.06 0.00 0.00 59.70 56.92 2da6 h MET 90 Cb 2.03 -0.16 0.16 0.00 0.06 0.00 0.00 31.60 33.69 2da6 h MET 90 CO 0.09 0.48 -0.13 -0.25 1.06 0.00 0.00 176.91 178.16 2da6 n ASP 91 N -4.76 -3.57 -2.36 1.22 8.00 -1.21 -3.71 116.55 110.17 2da6 n ASP 91 Ca 0.23 -0.64 -0.18 0.00 0.71 0.00 0.00 54.79 54.92 2da6 n ASP 91 Cb 0.58 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2da6 n ALA 92 N -5.02 -0.65 -0.49 2.24 0.00 -1.26 -4.81 120.51 110.52 2da6 n ALA 92 Ca -0.14 0.16 0.41 0.00 0.00 0.00 0.00 53.44 53.86 2da6 n ALA 92 Cb 0.44 -1.97 0.69 0.00 0.00 0.00 0.00 19.45 18.60 2da6 n ALA 92 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2da6 h TYR 93 N 0.00 0.43 -3.37 0.00 -0.00 -1.88 -3.38 116.97 108.77 2da6 h TYR 93 Ca -0.43 0.02 -0.55 0.00 -0.00 0.00 0.00 58.73 57.77 2da6 h TYR 93 Cb 1.31 -0.10 -0.04 0.00 -0.00 0.00 0.00 36.73 37.90 2da6 h TYR 93 CO 0.60 -0.20 -0.00 0.45 -0.00 0.00 0.00 178.16 179.00 2da6 s SER 94 N -4.34 6.99 0.11 0.10 0.15 -1.26 -5.07 113.70 110.39 2da6 s SER 94 Ca -0.07 1.25 -0.19 0.00 0.70 0.00 0.00 55.95 57.64 2da6 s SER 94 Cb 0.30 -2.36 -0.07 0.00 -1.71 0.00 0.00 66.02 62.18 2da6 s SER 94 CO 0.83 0.14 0.59 -0.94 1.20 0.00 0.00 173.24 175.07 2da6 s SER 95 N -1.48 7.04 0.62 5.45 1.04 -1.26 -5.08 113.70 120.02 2da6 s SER 95 Ca 0.36 1.27 0.01 0.00 0.48 0.00 0.00 55.95 58.07 2da6 s SER 95 Cb -0.17 -2.36 0.07 0.00 0.10 0.00 0.00 66.02 63.66 2da6 s SER 95 CO 0.20 0.21 0.86 0.54 0.98 0.00 0.00 173.24 176.03 2da6 s ASN 96 N -1.29 4.91 -0.12 7.02 4.22 -1.26 -4.99 114.94 123.43 2da6 s ASN 96 Ca 0.33 -0.22 -0.39 0.00 -2.14 0.00 0.00 52.86 50.43 2da6 s ASN 96 Cb -0.19 -0.44 -0.16 0.00 1.28 0.00 0.00 41.25 41.74 2da6 s ASN 96 CO 0.20 -1.43 1.53 -1.20 -2.04 0.00 0.00 177.10 174.16 2da6 n SER 97 N -2.52 1.90 -1.34 3.54 7.64 -1.26 -3.38 113.62 118.21 2da6 n SER 97 Ca 0.11 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2da6 n SER 97 Cb 0.60 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2da6 n SER 97 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2da6 n GLY 98 N 3.33 0.12 0.00 0.23 0.00 -1.26 -4.93 105.19 102.68 2da6 n GLY 98 Ca 0.23 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 46.04 2da6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2da6 n PRO 99 N -1.01 0.49 -1.10 1.61 -0.04 -1.22 -4.88 135.00 128.84 2da6 n PRO 99 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 2da6 n PRO 99 Cb 0.45 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 2da6 n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2da6 n SER 100 N -0.99 -0.72 -4.01 3.54 7.64 -1.26 -4.96 113.62 112.87 2da6 n SER 100 Ca 0.11 0.88 -0.18 0.00 1.01 0.00 0.00 58.87 60.69 2da6 n SER 100 Cb 0.05 -0.73 -0.15 0.00 -1.01 0.00 0.00 64.21 62.38 2da6 n SER 100 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2da6 s SER 101 N -0.57 0.97 0.00 6.43 1.04 -1.26 -5.20 113.70 115.11 2da6 s SER 101 Ca 0.55 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.87 2da6 s SER 101 Cb -0.78 -0.10 0.04 0.00 0.10 0.00 0.00 66.02 65.27 2da6 s SER 101 CO 0.43 0.09 0.67 0.61 0.98 0.00 0.00 173.24 176.03