#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 0.75 -0.27 1.61 1.04 -1.26 -5.13 113.70 110.44 2da6 s SER 2 Ca 0.00 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.23 2da6 s SER 2 Cb 0.00 -0.26 0.12 0.00 0.10 0.00 0.00 66.02 65.98 2da6 s SER 2 CO 0.00 -0.01 0.59 -0.94 0.98 0.00 0.00 173.24 173.86 2da6 s SER 3 N 0.48 -0.91 0.00 7.02 1.04 -1.26 -5.14 113.70 114.94 2da6 s SER 3 Ca -0.06 1.42 0.00 0.00 0.48 0.00 0.00 55.95 57.79 2da6 s SER 3 Cb -0.09 1.99 0.00 0.00 0.10 0.00 0.00 66.02 68.02 2da6 s SER 3 CO -0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2da6 n GLY 4 N 5.35 4.44 0.98 7.32 0.00 -1.26 -5.09 105.19 116.93 2da6 n GLY 4 Ca -0.12 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2da6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2da6 n SER 5 N 0.00 0.66 -4.73 1.61 2.88 -1.26 -5.08 113.62 107.70 2da6 n SER 5 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2da6 n SER 5 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 2da6 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2da6 s SER 6 N -4.72 3.94 0.00 -3.46 0.01 -1.26 -4.64 113.70 103.57 2da6 s SER 6 Ca 0.00 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.25 2da6 s SER 6 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2da6 s SER 6 CO 0.00 -2.42 0.00 0.61 0.41 0.00 0.00 173.24 171.84 2da6 n GLY 7 N -0.58 0.87 3.17 3.44 0.00 -1.26 -4.95 105.19 105.88 2da6 n GLY 7 Ca 0.10 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2da6 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2da6 s ARG 8 N 0.00 0.48 0.45 1.61 3.52 -1.26 -5.17 118.95 118.57 2da6 s ARG 8 Ca 0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.61 2da6 s ARG 8 Cb 0.00 0.21 0.01 0.00 -1.56 0.00 0.00 34.95 33.62 2da6 s ARG 8 CO 0.00 -0.11 0.63 1.21 -0.81 0.00 0.00 175.30 176.22 2da6 s ASN 9 N -0.79 5.62 -0.30 -2.12 2.47 -1.26 -5.09 114.94 113.47 2da6 s ASN 9 Ca -0.09 -0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.06 2da6 s ASN 9 Cb -0.05 -0.95 0.09 0.00 -1.45 0.00 0.00 41.25 38.89 2da6 s ASN 9 CO 0.02 -0.81 0.01 -0.60 -3.72 0.00 0.00 177.10 172.00 2da6 s ARG 10 N -4.47 1.56 -0.30 0.43 3.00 -1.26 -5.04 118.95 112.87 2da6 s ARG 10 Ca 0.53 -1.53 -0.11 0.00 -1.00 0.00 0.00 55.73 53.62 2da6 s ARG 10 Cb -0.10 -2.89 0.18 0.00 0.00 0.00 0.00 34.95 32.14 2da6 s ARG 10 CO 0.35 -0.82 1.00 0.12 0.00 0.00 0.00 175.30 175.95 2da6 s PHE 11 N 1.11 -0.65 -0.12 5.12 2.19 -1.26 -4.91 117.98 119.46 2da6 s PHE 11 Ca 0.04 0.60 -0.04 0.00 0.33 0.00 0.00 56.93 57.86 2da6 s PHE 11 Cb -0.19 0.19 -0.04 0.00 -1.31 0.00 0.00 43.02 41.68 2da6 s PHE 11 CO -0.09 -0.37 0.03 0.21 1.83 0.00 0.00 175.22 176.83 2da6 s LYS 12 N 2.94 3.32 0.89 10.12 2.47 -1.26 -5.10 119.74 133.11 2da6 s LYS 12 Ca 0.08 -0.37 -0.11 0.00 -1.56 0.00 0.00 55.97 54.01 2da6 s LYS 12 Cb -0.09 -2.95 0.12 0.00 -1.46 0.00 0.00 37.83 33.46 2da6 s LYS 12 CO -0.15 0.58 1.09 -1.58 0.16 0.00 0.00 175.35 175.45 2da6 s TRP 13 N -0.53 2.27 0.10 4.03 0.52 -1.26 -4.99 118.94 119.09 2da6 s TRP 13 Ca 0.10 1.33 0.01 0.00 0.02 0.00 0.00 56.10 57.57 2da6 s TRP 13 Cb -0.12 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 29.07 2da6 s TRP 13 CO 0.02 -2.39 0.12 0.41 0.02 0.00 0.00 176.95 175.13 2da6 n GLY 14 N -0.97 2.27 0.21 0.98 0.00 -1.26 -4.93 105.19 101.49 2da6 n GLY 14 Ca 0.07 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 0.67 0.00 1.61 0.13 -2.00 -2.95 132.00 129.46 2da6 h PRO 15 Ca -0.05 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2da6 h PRO 15 Cb 0.22 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 2da6 h PRO 15 CO 0.08 0.96 -0.04 0.00 -0.23 0.00 0.00 178.00 178.77 2da6 h ALA 16 N 0.70 0.01 -0.46 -0.56 0.00 -1.96 -3.28 119.26 113.70 2da6 h ALA 16 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2da6 h ALA 16 Cb 0.84 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2da6 h ALA 16 CO 0.07 0.02 -0.41 0.77 0.00 0.00 0.00 179.25 179.71 2da6 h SER 17 N -1.00 -1.41 -0.73 0.00 0.02 -1.86 -1.11 113.55 107.45 2da6 h SER 17 Ca -0.01 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2da6 h SER 17 Cb 0.61 0.60 -0.12 0.00 0.14 0.00 0.00 62.40 63.63 2da6 h SER 17 CO -0.00 -0.24 -0.48 1.56 -1.14 0.00 0.00 176.83 176.52 2da6 h GLN 18 N -0.17 -0.15 -0.74 3.45 4.20 -1.70 0.18 115.11 120.19 2da6 h GLN 18 Ca 0.08 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.96 2da6 h GLN 18 Cb 0.37 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.06 2da6 h GLN 18 CO -0.52 -0.10 0.05 1.96 -0.67 0.00 0.00 178.83 179.54 2da6 h GLN 19 N -0.16 0.13 -0.92 1.46 1.08 -1.32 0.29 115.11 115.67 2da6 h GLN 19 Ca 0.19 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 2da6 h GLN 19 Cb 0.54 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.87 2da6 h GLN 19 CO -0.79 0.09 0.60 0.82 -0.95 0.00 0.00 178.83 178.59 2da6 h ILE 20 N 0.14 1.03 -0.80 2.54 2.04 0.49 -1.25 117.51 121.69 2da6 h ILE 20 Ca 0.41 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 2da6 h ILE 20 Cb 0.72 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2da6 h ILE 20 CO -0.62 0.18 0.33 -0.07 0.00 0.00 0.00 178.15 177.97 2da6 h LEU 21 N 1.00 1.09 -0.22 1.44 3.38 0.43 -1.96 115.31 120.47 2da6 h LEU 21 Ca 0.41 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2da6 h LEU 21 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2da6 h LEU 21 CO -0.17 0.96 -0.03 1.88 0.09 0.00 0.00 178.44 181.17 2da6 h TYR 22 N 1.16 0.45 -0.59 1.13 0.05 -0.62 0.89 116.97 119.44 2da6 h TYR 22 Ca 0.27 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.99 2da6 h TYR 22 Cb 0.20 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 2da6 h TYR 22 CO 0.02 0.62 0.39 1.96 -1.05 0.00 0.00 178.16 180.10 2da6 h GLN 23 N 0.15 0.68 0.14 4.88 1.08 -1.12 0.21 115.11 121.14 2da6 h GLN 23 Ca 0.06 -0.04 -0.28 0.00 -1.45 0.00 0.00 58.65 56.94 2da6 h GLN 23 Cb 0.46 -0.15 0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2da6 h GLN 23 CO 0.02 0.45 -1.18 0.00 -0.95 0.00 0.00 178.83 177.17 2da6 h ALA 24 N 1.65 -0.05 -0.16 3.87 0.00 -1.19 -3.29 119.26 120.11 2da6 h ALA 24 Ca 0.23 -0.76 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2da6 h ALA 24 Cb 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2da6 h ALA 24 CO -0.06 0.61 -0.29 -0.92 0.00 0.00 0.00 179.25 178.59 2da6 h TYR 25 N 0.13 0.33 -0.25 0.00 5.03 -0.35 -1.84 116.97 120.02 2da6 h TYR 25 Ca -0.19 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.04 2da6 h TYR 25 Cb 1.88 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 40.07 2da6 h TYR 25 CO 0.13 0.56 0.12 0.22 -1.32 0.00 0.00 178.16 177.87 2da6 h ASP 26 N 0.26 0.30 0.05 -2.11 1.82 -0.67 -3.00 116.42 113.06 2da6 h ASP 26 Ca 0.04 -0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.51 2da6 h ASP 26 Cb 0.65 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2da6 h ASP 26 CO 0.05 0.26 -0.74 0.03 -1.61 0.00 0.00 179.24 177.22 2da6 h ARG 27 N 0.34 0.10 -5.04 0.28 3.08 -1.54 -3.47 114.38 108.14 2da6 h ARG 27 Ca 0.09 -0.16 -0.48 0.00 0.07 0.00 0.00 59.98 59.49 2da6 h ARG 27 Cb 0.04 0.06 -0.30 0.00 0.08 0.00 0.00 29.97 29.85 2da6 h ARG 27 CO -0.01 1.08 -0.81 -1.14 -1.07 0.00 0.00 179.97 178.02 2da6 s GLN 28 N -2.34 1.23 0.01 0.04 2.00 -0.72 -5.04 119.66 114.83 2da6 s GLN 28 Ca -0.21 -0.46 -0.06 0.00 -2.00 0.00 0.00 55.36 52.64 2da6 s GLN 28 Cb 0.01 -1.13 -0.29 0.00 0.80 0.00 0.00 33.01 32.40 2da6 s GLN 28 CO 0.70 0.22 0.87 0.87 -0.50 0.00 0.00 175.29 177.45 2da6 h LYS 29 N 6.11 0.31 -3.34 1.67 1.79 -1.86 -3.35 116.57 117.90 2da6 h LYS 29 Ca -0.33 -0.53 -0.66 0.00 -2.18 0.00 0.00 60.65 56.94 2da6 h LYS 29 Cb 1.17 0.20 -0.39 0.00 -1.58 0.00 0.00 32.23 31.63 2da6 h LYS 29 CO 0.49 1.20 -0.44 -0.80 -1.08 0.00 0.00 179.45 178.81 2da6 s ASN 30 N -7.12 5.02 0.12 0.86 0.01 -1.26 -5.01 114.94 107.56 2da6 s ASN 30 Ca -0.10 -3.33 -0.31 0.00 -0.71 0.00 0.00 52.86 48.41 2da6 s ASN 30 Cb 0.06 -1.75 -0.08 0.00 0.41 0.00 0.00 41.25 39.90 2da6 s ASN 30 CO 0.87 -0.22 1.35 -2.16 -1.51 0.00 0.00 177.10 175.43 2da6 s PRO 31 N -0.75 4.34 0.65 -0.60 0.04 -1.26 -5.03 135.00 132.39 2da6 s PRO 31 Ca 0.21 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.32 2da6 s PRO 31 Cb -0.15 -3.25 0.11 0.00 0.04 0.00 0.00 34.50 31.24 2da6 s PRO 31 CO -0.08 -0.39 0.90 -1.12 0.04 0.00 0.00 177.00 176.35 2da6 s SER 32 N 1.00 4.69 0.21 6.66 0.01 -1.26 -4.46 113.70 120.55 2da6 s SER 32 Ca 0.63 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 2da6 s SER 32 Cb -0.36 0.11 0.33 0.00 0.21 0.00 0.00 66.02 66.31 2da6 s SER 32 CO 0.31 -1.62 1.18 1.17 0.41 0.00 0.00 173.24 174.69 2da6 n LYS 33 N -2.56 -0.08 0.28 12.44 0.00 -1.26 0.01 118.16 126.98 2da6 n LYS 33 Ca 0.15 1.18 -0.11 0.00 0.00 0.00 0.00 58.31 59.54 2da6 n LYS 33 Cb 0.61 -1.77 -0.05 0.00 0.00 0.00 0.00 35.03 33.82 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 -0.69 -0.04 1.64 5.08 -1.98 -0.19 114.58 118.40 2da6 h GLU 34 Ca 0.35 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2da6 h GLU 34 Cb 0.54 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2da6 h GLU 34 CO -0.78 -0.46 -0.18 0.93 -1.00 0.00 0.00 179.01 177.52 2da6 h GLU 35 N -0.76 -0.19 -0.76 2.33 4.39 -1.27 -0.45 114.58 117.87 2da6 h GLU 35 Ca -0.07 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.80 2da6 h GLU 35 Cb 0.55 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 29.10 2da6 h GLU 35 CO 0.12 -0.13 -0.15 0.00 -1.16 0.00 0.00 179.01 177.69 2da6 h ARG 36 N -0.20 0.02 -0.51 2.33 3.08 -0.52 0.12 114.38 118.70 2da6 h ARG 36 Ca 0.01 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.16 2da6 h ARG 36 Cb 0.23 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 2da6 h ARG 36 CO -0.14 0.01 0.01 0.93 -1.07 0.00 0.00 179.97 179.71 2da6 h GLU 37 N 0.02 0.13 -0.02 0.04 4.39 -0.34 0.32 114.58 119.10 2da6 h GLU 37 Ca 0.37 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 2da6 h GLU 37 Cb 0.59 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2da6 h GLU 37 CO -0.76 0.08 0.41 0.00 -1.16 0.00 0.00 179.01 177.58 2da6 h ALA 38 N 1.44 1.44 0.00 3.43 0.00 0.89 0.51 119.26 126.97 2da6 h ALA 38 Ca 0.26 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.92 2da6 h ALA 38 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2da6 h ALA 38 CO -0.41 -0.42 -1.84 1.28 0.00 0.00 0.00 179.25 177.86 2da6 n LEU 39 N -2.89 0.52 -0.14 0.00 4.77 0.10 -2.80 117.00 116.57 2da6 n LEU 39 Ca -0.01 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 2da6 n LEU 39 Cb 0.46 0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.79 2da6 n LEU 39 CO 0.13 0.30 0.67 0.58 -1.33 0.00 0.00 177.39 177.73 2da6 h VAL 40 N 0.00 1.27 0.13 4.08 2.07 0.79 -1.37 116.25 123.22 2da6 h VAL 40 Ca -0.30 -1.39 -0.27 0.00 0.82 0.00 0.00 66.70 65.56 2da6 h VAL 40 Cb 1.84 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2da6 h VAL 40 CO 0.05 0.48 -1.34 1.05 0.02 0.00 0.00 177.57 177.82 2da6 h GLU 41 N 0.81 0.26 -0.51 1.57 4.11 -1.57 -3.16 114.58 116.08 2da6 h GLU 41 Ca 0.10 -0.45 0.03 0.00 0.07 0.00 0.00 59.36 59.11 2da6 h GLU 41 Cb 0.80 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2da6 h GLU 41 CO 0.07 1.22 0.29 1.49 0.07 0.00 0.00 179.01 182.15 2da6 h GLU 42 N -0.29 0.56 0.10 1.06 4.57 -1.58 -0.87 114.58 118.13 2da6 h GLU 42 Ca -0.28 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2da6 h GLU 42 Cb 1.77 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 2da6 h GLU 42 CO 0.08 0.37 -0.05 0.00 -1.18 0.00 0.00 179.01 178.23 2da6 h ASN 44 N -0.16 0.31 0.66 0.00 2.35 -1.57 0.15 115.58 117.31 2da6 h ASN 44 Ca -0.01 0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 2da6 h ASN 44 Cb 0.11 0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.59 2da6 h ASN 44 CO 0.02 -0.14 -0.32 -0.09 -1.65 0.00 0.00 177.43 175.26 2da6 h ARG 45 N 0.16 -0.85 -0.84 0.81 2.43 -1.04 -2.82 114.38 112.22 2da6 h ARG 45 Ca 0.77 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 60.09 2da6 h ARG 45 Cb 2.27 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 31.94 2da6 h ARG 45 CO -0.42 -0.54 0.48 0.00 -1.51 0.00 0.00 179.97 177.98 2da6 h ALA 46 N -1.10 1.20 -0.69 2.80 0.00 0.38 -1.64 119.26 120.22 2da6 h ALA 46 Ca -0.09 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2da6 h ALA 46 Cb 0.70 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2da6 h ALA 46 CO 0.15 0.11 0.25 0.93 0.00 0.00 0.00 179.25 180.69 2da6 h GLU 47 N 0.80 0.40 -0.58 0.00 5.08 -0.81 0.54 114.58 120.02 2da6 h GLU 47 Ca 0.40 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 2da6 h GLU 47 Cb 0.37 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2da6 h GLU 47 CO -0.25 0.27 0.05 0.00 -1.00 0.00 0.00 179.01 178.07 2da6 h LEU 49 N 0.90 -0.78 -1.11 0.00 3.38 -0.63 1.94 115.31 119.02 2da6 h LEU 49 Ca 0.17 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2da6 h LEU 49 Cb 0.46 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2da6 h LEU 49 CO 0.02 -0.44 0.61 0.06 0.09 0.00 0.00 178.44 178.77 2da6 h GLN 50 N -1.12 1.04 -0.04 1.13 3.07 -0.98 0.18 115.11 118.38 2da6 h GLN 50 Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2da6 h GLN 50 Cb 0.74 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2da6 h GLN 50 CO 0.15 0.69 0.00 0.54 0.09 0.00 0.00 178.83 180.30 2da6 n ARG 51 N -4.49 1.15 0.00 0.06 1.74 -0.28 -4.87 116.66 109.97 2da6 n ARG 51 Ca 0.14 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2da6 n ARG 51 Cb 0.20 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.82 2.81 3.36 -0.13 0.00 0.62 -4.99 105.19 107.68 2da6 n GLY 52 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.04 0.00 -3.77 1.61 0.31 0.64 -4.80 118.33 111.29 2da6 n VAL 53 Ca 0.00 -0.30 -0.36 0.00 -0.01 0.00 0.00 64.34 63.66 2da6 n VAL 53 Cb 0.00 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.67 6.51 0.00 4.52 0.15 -1.26 -3.30 113.70 117.65 2da6 s SER 54 Ca 0.69 0.60 0.15 0.00 0.70 0.00 0.00 55.95 58.08 2da6 s SER 54 Cb -0.20 -2.11 0.74 0.00 -1.71 0.00 0.00 66.02 62.74 2da6 s SER 54 CO 0.62 0.34 1.41 -0.81 1.20 0.00 0.00 173.24 176.01 2da6 n PRO 55 N 1.68 0.21 0.02 5.44 -0.04 -1.26 -1.97 135.00 139.07 2da6 n PRO 55 Ca -0.16 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2da6 n PRO 55 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2da6 n PRO 55 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2da6 n SER 56 N -1.28 0.57 -1.73 3.54 7.64 -1.26 -4.21 113.62 116.89 2da6 n SER 56 Ca 0.07 -0.28 -0.18 0.00 1.01 0.00 0.00 58.87 59.49 2da6 n SER 56 Cb 0.12 1.05 0.09 0.00 -1.01 0.00 0.00 64.21 64.45 2da6 n SER 56 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2da6 n LYS 57 N -1.97 2.85 0.29 1.43 4.76 -0.83 -4.73 118.16 119.95 2da6 n LYS 57 Ca 0.01 -3.72 0.14 0.00 -2.87 0.00 0.00 58.31 51.88 2da6 n LYS 57 Cb 0.45 -2.11 0.87 0.00 -1.84 0.00 0.00 35.03 32.40 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 1.76 1.49 -0.89 7.82 0.00 -1.73 -2.15 119.26 125.56 2da6 h ALA 58 Ca 0.34 -0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.48 2da6 h ALA 58 Cb 1.39 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2da6 h ALA 58 CO 0.73 0.03 0.68 1.12 0.00 0.00 0.00 179.25 181.81 2da6 h HIS 59 N 0.00 0.00 -0.34 0.00 2.07 -1.93 0.27 115.15 115.21 2da6 h HIS 59 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2da6 h HIS 59 Cb 0.07 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.04 2da6 h HIS 59 CO 0.00 0.00 -0.06 0.78 -3.07 0.00 0.00 177.93 175.58 2da6 h GLY 60 N 0.00 0.61 -1.42 6.13 0.00 -1.79 -2.93 103.07 103.66 2da6 h GLY 60 Ca 0.42 -0.39 0.48 0.00 0.00 0.00 0.00 47.33 47.84 2da6 h GLY 60 CO -0.00 0.37 0.92 1.04 0.00 0.00 0.00 176.54 178.86 2da6 n LEU 61 N -4.23 0.19 0.00 3.11 4.77 0.94 -4.68 117.00 117.11 2da6 n LEU 61 Ca 0.01 1.35 0.00 0.00 -0.03 0.00 0.00 56.01 57.35 2da6 n LEU 61 Cb 0.29 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2da6 n LEU 61 CO 0.40 -1.46 0.00 0.61 -1.33 0.00 0.00 177.39 175.61 2da6 n GLY 62 N -1.55 0.84 0.30 -0.72 0.00 -1.11 -0.49 105.19 102.46 2da6 n GLY 62 Ca 0.41 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 47.05 2da6 n GLY 62 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2da6 h SER 63 N 0.00 0.67 -0.16 1.61 4.64 -1.93 -1.17 113.55 117.22 2da6 h SER 63 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2da6 h SER 63 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2da6 h SER 63 CO 0.00 0.67 0.00 0.59 -0.87 0.00 0.00 176.83 177.22 2da6 n ASN 64 N -4.30 0.94 -4.75 4.97 4.13 0.35 -4.75 115.26 111.86 2da6 n ASN 64 Ca 0.03 -1.88 -0.40 0.00 1.68 0.00 0.00 54.58 54.01 2da6 n ASN 64 Cb 0.21 -0.10 -0.05 0.00 -1.54 0.00 0.00 39.78 38.30 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2da6 s LEU 65 N -1.16 4.58 0.12 3.41 2.96 -0.44 -4.93 118.68 123.22 2da6 s LEU 65 Ca 0.17 2.06 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 2da6 s LEU 65 Cb 0.09 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2da6 s LEU 65 CO 0.13 -0.02 0.31 -0.69 -1.32 0.00 0.00 176.35 174.76 2da6 s VAL 66 N -0.91 5.26 0.04 1.68 1.01 -1.26 -4.95 120.40 121.26 2da6 s VAL 66 Ca 0.44 -0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2da6 s VAL 66 Cb -0.28 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2da6 s VAL 66 CO 0.35 0.05 0.32 0.42 0.00 0.00 0.00 175.10 176.23 2da6 s THR 67 N -1.63 0.08 0.25 3.92 -4.23 -1.26 -4.93 115.64 107.83 2da6 s THR 67 Ca 0.38 -0.63 0.12 0.00 -1.18 0.00 0.00 61.69 60.38 2da6 s THR 67 Cb -0.12 -0.91 0.26 0.00 1.34 0.00 0.00 72.50 73.07 2da6 s THR 67 CO 0.27 -0.35 1.12 1.21 -0.54 0.00 0.00 174.62 176.33 2da6 n GLU 68 N 0.64 -0.05 0.17 3.99 2.13 -1.26 0.12 120.64 126.39 2da6 n GLU 68 Ca -0.19 1.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.49 2da6 n GLU 68 Cb 0.59 -1.75 -0.08 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 0.70 -0.86 6.31 2.07 -1.98 -1.49 116.25 121.00 2da6 h VAL 69 Ca 0.56 -0.44 0.17 0.00 0.82 0.00 0.00 66.70 67.81 2da6 h VAL 69 Cb 1.43 0.93 -0.16 0.00 -1.52 0.00 0.00 31.29 31.97 2da6 h VAL 69 CO -0.58 0.09 -0.25 0.03 0.02 0.00 0.00 177.57 176.88 2da6 h ARG 70 N -0.68 -0.01 -0.47 1.57 2.47 0.58 0.48 114.38 118.33 2da6 h ARG 70 Ca -0.04 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 2da6 h ARG 70 Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2da6 h ARG 70 CO 0.07 -0.01 -0.14 0.28 0.56 0.00 0.00 179.97 180.73 2da6 h VAL 71 N -0.01 1.27 -0.89 2.04 2.07 -1.44 -2.38 116.25 116.90 2da6 h VAL 71 Ca 0.40 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.70 2da6 h VAL 71 Cb 0.63 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2da6 h VAL 71 CO -0.89 0.43 0.59 0.22 0.02 0.00 0.00 177.57 177.94 2da6 h TYR 72 N 0.78 1.07 -0.11 1.57 5.03 0.96 -1.62 116.97 124.65 2da6 h TYR 72 Ca 0.12 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.38 2da6 h TYR 72 Cb 0.67 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.60 2da6 h TYR 72 CO 0.04 0.60 -0.25 -0.91 -1.32 0.00 0.00 178.16 176.32 2da6 h ASN 73 N 1.09 0.40 -0.63 -2.11 2.35 -0.75 -2.19 115.58 113.74 2da6 h ASN 73 Ca 0.36 -0.58 0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2da6 h ASN 73 Cb 0.07 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.25 2da6 h ASN 73 CO -0.12 0.91 0.26 -0.25 -1.65 0.00 0.00 177.43 176.58 2da6 h TRP 74 N -0.08 0.45 -0.46 1.19 7.01 -1.03 -1.41 115.95 121.61 2da6 h TRP 74 Ca -0.00 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.90 2da6 h TRP 74 Cb 0.86 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.80 2da6 h TRP 74 CO 0.11 0.13 -0.21 0.74 -2.79 0.00 0.00 178.44 176.42 2da6 h PHE 75 N 0.45 1.07 -0.67 2.65 -1.00 -1.34 -2.81 116.94 115.30 2da6 h PHE 75 Ca 0.32 -0.25 0.08 0.00 2.81 0.00 0.00 57.97 60.92 2da6 h PHE 75 Cb 0.37 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.62 2da6 h PHE 75 CO -0.15 1.05 0.34 0.00 -1.61 0.00 0.00 178.31 177.94 2da6 h ALA 76 N 0.94 0.91 -0.21 2.45 0.00 -0.62 -0.31 119.26 122.42 2da6 h ALA 76 Ca 0.11 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2da6 h ALA 76 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2da6 h ALA 76 CO 0.06 -0.04 -0.25 -0.97 0.00 0.00 0.00 179.25 178.05 2da6 h ASN 77 N 0.60 0.39 0.92 0.00 -0.73 -1.25 0.24 115.58 115.73 2da6 h ASN 77 Ca 0.32 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 2da6 h ASN 77 Cb 0.30 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2da6 h ASN 77 CO -0.24 0.64 -0.29 0.03 -0.37 0.00 0.00 177.43 177.21 2da6 h ARG 78 N 0.35 0.00 0.00 6.67 2.47 -0.95 -0.96 114.38 121.96 2da6 h ARG 78 Ca 0.05 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.59 2da6 h ARG 78 Cb 0.63 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 2da6 h ARG 78 CO 0.05 0.29 -1.77 0.54 0.56 0.00 0.00 179.97 179.63 2da6 n ARG 79 N -3.44 0.65 0.07 0.04 1.74 -0.25 -3.48 116.66 111.98 2da6 n ARG 79 Ca 0.00 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.05 2da6 n ARG 79 Cb 0.47 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 30.10 2da6 n ARG 79 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2da6 h LYS 80 N 0.00 0.11 -0.01 5.56 1.57 -0.44 -3.10 116.57 120.25 2da6 h LYS 80 Ca -0.22 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 2da6 h LYS 80 Cb 1.62 0.07 0.01 0.00 0.08 0.00 0.00 32.23 34.00 2da6 h LYS 80 CO 0.03 1.03 -0.39 1.05 -0.57 0.00 0.00 179.45 180.61 2da6 h GLU 81 N 0.03 0.29 -0.69 3.15 4.11 -1.34 -1.43 114.58 118.69 2da6 h GLU 81 Ca -0.10 -0.29 0.02 0.00 0.07 0.00 0.00 59.36 59.06 2da6 h GLU 81 Cb 1.88 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 31.17 2da6 h GLU 81 CO 0.15 0.98 0.46 1.05 0.07 0.00 0.00 179.01 181.72 2da6 h GLU 82 N -0.29 0.86 0.00 1.06 4.11 -1.69 -0.90 114.58 117.73 2da6 h GLU 82 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.33 2da6 h GLU 82 Cb 1.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2da6 h GLU 82 CO 0.08 0.57 -0.34 0.00 0.07 0.00 0.00 179.01 179.39 2da6 n ALA 83 N -2.43 2.64 0.16 1.06 0.00 -1.17 -4.21 120.51 116.56 2da6 n ALA 83 Ca 0.08 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 2da6 n ALA 83 Cb 0.07 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 2da6 n ALA 83 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2da6 h PHE 84 N 0.00 -0.63 -0.87 0.00 3.04 -0.01 0.59 116.94 119.06 2da6 h PHE 84 Ca 0.00 0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.20 2da6 h PHE 84 Cb 0.74 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 2da6 h PHE 84 CO 0.00 -0.32 1.08 0.00 -2.02 0.00 0.00 178.31 177.04 2da6 h ARG 85 N -0.50 0.00 0.06 1.11 3.08 -1.73 1.35 114.38 117.75 2da6 h ARG 85 Ca -0.04 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.66 2da6 h ARG 85 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2da6 h ARG 85 CO 0.00 0.00 -2.02 1.04 -1.07 0.00 0.00 179.97 177.93 2da6 n GLN 86 N -3.27 0.70 -0.12 0.04 6.02 -0.62 -4.07 117.38 116.05 2da6 n GLN 86 Ca 0.19 0.23 -0.09 0.00 -0.01 0.00 0.00 57.00 57.32 2da6 n GLN 86 Cb 1.35 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 30.90 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 0.03 0.54 0.00 -1.09 3.64 0.73 -1.49 116.57 118.93 2da6 h LYS 87 Ca -0.42 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2da6 h LYS 87 Cb 2.03 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.76 2da6 h LYS 87 CO 0.06 0.53 0.00 1.47 -2.27 0.00 0.00 179.45 179.24 2da6 n LEU 88 N -4.68 0.00 -0.08 5.20 -0.00 -0.23 -2.25 117.00 114.96 2da6 n LEU 88 Ca -0.01 0.39 -0.21 0.00 -0.00 0.00 0.00 56.01 56.18 2da6 n LEU 88 Cb 0.14 -0.39 -0.12 0.00 -0.00 0.00 0.00 43.42 43.05 2da6 n LEU 88 CO 0.37 -0.29 -1.07 0.00 -0.00 0.00 0.00 177.39 176.40 2da6 n ALA 89 N -1.39 1.13 -0.22 1.47 0.00 -0.63 -4.41 120.51 116.45 2da6 n ALA 89 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.54 2da6 n ALA 89 Cb 0.08 -0.33 0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.25 1.00 -6.63 0.00 2.86 -0.95 -3.45 114.93 107.51 2da6 h MET 90 Ca -0.52 -0.25 -0.34 0.00 -2.06 0.00 0.00 59.70 56.53 2da6 h MET 90 Cb 1.83 -0.12 0.19 0.00 0.06 0.00 0.00 31.60 33.56 2da6 h MET 90 CO -0.09 0.92 -0.30 -3.47 1.06 0.00 0.00 176.91 175.03 2da6 n ASP 91 N -4.31 -3.25 -4.53 1.22 2.03 -0.95 -4.93 116.55 101.82 2da6 n ASP 91 Ca 0.03 -0.53 -0.42 0.00 0.52 0.00 0.00 54.79 54.39 2da6 n ASP 91 Cb 0.26 -0.96 -0.08 0.00 -0.72 0.00 0.00 41.12 39.63 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2da6 s ALA 92 N -2.15 3.44 1.10 -1.67 0.00 -1.26 -5.03 121.76 116.19 2da6 s ALA 92 Ca 0.56 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 2da6 s ALA 92 Cb -0.12 -3.07 0.14 0.00 0.00 0.00 0.00 23.12 20.07 2da6 s ALA 92 CO 0.51 -1.40 0.36 2.48 0.00 0.00 0.00 175.76 177.72 2da6 n TYR 93 N 5.80 -1.29 -3.99 0.00 0.18 -1.26 -5.05 117.16 111.55 2da6 n TYR 93 Ca -0.05 0.09 -0.12 0.00 1.88 0.00 0.00 57.90 59.71 2da6 n TYR 93 Cb 0.48 -1.65 -0.03 0.00 -0.38 0.00 0.00 39.34 37.77 2da6 n TYR 93 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2da6 s SER 94 N -2.04 0.46 -0.29 9.48 1.04 -1.26 -5.11 113.70 115.99 2da6 s SER 94 Ca 0.60 -1.27 -0.39 0.00 0.48 0.00 0.00 55.95 55.36 2da6 s SER 94 Cb -0.17 0.70 -0.15 0.00 0.10 0.00 0.00 66.02 66.50 2da6 s SER 94 CO 0.66 -1.37 1.85 -0.24 0.98 0.00 0.00 173.24 175.12 2da6 n SER 95 N -1.19 2.36 -4.47 7.02 2.88 -1.26 -4.94 113.62 114.01 2da6 n SER 95 Ca -0.02 0.95 -0.31 0.00 -1.33 0.00 0.00 58.87 58.16 2da6 n SER 95 Cb 0.61 -1.16 -0.12 0.00 -0.75 0.00 0.00 64.21 62.79 2da6 n SER 95 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2da6 s ASN 96 N 4.31 3.89 -0.11 -3.46 3.84 -1.26 -5.13 114.94 117.02 2da6 s ASN 96 Ca 1.01 -0.43 -0.09 0.00 0.21 0.00 0.00 52.86 53.56 2da6 s ASN 96 Cb -1.03 -0.64 0.03 0.00 -0.55 0.00 0.00 41.25 39.06 2da6 s ASN 96 CO 0.62 0.24 0.28 -0.55 -2.79 0.00 0.00 177.10 174.91 2da6 s SER 97 N -1.58 -0.30 0.00 -4.21 0.15 -1.26 -5.15 113.70 101.35 2da6 s SER 97 Ca 0.16 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2da6 s SER 97 Cb -0.11 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2da6 s SER 97 CO 0.06 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2da6 n GLY 98 N 3.16 3.74 0.00 9.45 0.00 -1.26 -4.94 105.19 115.34 2da6 n GLY 98 Ca -0.15 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.32 0.49 -1.39 1.61 -0.04 -1.26 -4.87 135.00 128.23 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 0.00 -1.38 0.02 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.88 -1.97 -0.09 3.54 7.64 -1.26 -4.94 113.62 115.65 2da6 n SER 100 Ca 0.09 0.73 -0.17 0.00 1.01 0.00 0.00 58.87 60.53 2da6 n SER 100 Cb 0.04 -1.05 -0.07 0.00 -1.01 0.00 0.00 64.21 62.12 2da6 n SER 100 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2da6 n SER 101 N 1.32 1.85 0.00 6.43 3.41 -1.26 -5.20 113.62 120.17 2da6 n SER 101 Ca 0.10 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2da6 n SER 101 Cb 0.46 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 2da6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49