#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da6 h SER 2 N 0.00 -0.14 -3.04 1.61 0.02 -2.11 -3.45 113.55 106.43 2da6 h SER 2 Ca 0.00 -0.41 -0.54 0.00 -0.84 0.00 0.00 61.79 60.01 2da6 h SER 2 Cb 0.00 0.04 0.22 0.00 0.14 0.00 0.00 62.40 62.80 2da6 h SER 2 CO 0.00 0.40 -0.91 -0.24 -1.14 0.00 0.00 176.83 174.94 2da6 n SER 3 N -4.91 -3.08 -2.10 3.07 2.88 -1.26 -5.02 113.62 103.20 2da6 n SER 3 Ca -0.08 0.29 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2da6 n SER 3 Cb 0.27 -1.09 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 2da6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2da6 n GLY 4 N 2.00 3.65 0.35 0.46 0.00 -1.26 -5.10 105.19 105.30 2da6 n GLY 4 Ca 0.04 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.23 1.52 -4.41 1.61 2.88 -1.26 -5.05 113.62 106.68 2da6 n SER 5 Ca 0.01 0.26 -0.23 0.00 -1.33 0.00 0.00 58.87 57.58 2da6 n SER 5 Cb 0.24 -0.62 -0.11 0.00 -0.75 0.00 0.00 64.21 62.97 2da6 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2da6 s SER 6 N -6.77 3.22 0.00 -3.46 1.04 -1.26 -4.89 113.70 101.58 2da6 s SER 6 Ca -0.29 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2da6 s SER 6 Cb 0.10 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2da6 s SER 6 CO 0.36 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2da6 n GLY 7 N -0.19 3.34 3.09 7.32 0.00 -1.26 -5.11 105.19 112.39 2da6 n GLY 7 Ca -0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 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 0.36 0.58 1.61 0.52 -1.26 -5.16 118.95 115.60 2da6 s ARG 8 Ca 0.00 -0.05 -0.17 0.00 -0.52 0.00 0.00 55.73 55.00 2da6 s ARG 8 Cb 0.00 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 2da6 s ARG 8 CO 0.00 -0.07 1.08 1.21 0.02 0.00 0.00 175.30 177.54 2da6 s ASN 9 N -0.61 5.69 -0.10 0.23 2.47 -1.26 -5.05 114.94 116.31 2da6 s ASN 9 Ca -0.07 1.94 -0.02 0.00 0.42 0.00 0.00 52.86 55.13 2da6 s ASN 9 Cb -0.04 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 2da6 s ASN 9 CO 0.01 -1.23 -0.01 -0.13 -3.72 0.00 0.00 177.10 172.03 2da6 s ARG 10 N -3.82 3.15 -0.31 0.43 1.81 -1.26 -5.04 118.95 113.92 2da6 s ARG 10 Ca 0.67 -0.43 -0.27 0.00 -1.72 0.00 0.00 55.73 53.97 2da6 s ARG 10 Cb -0.18 -2.83 -0.05 0.00 -0.45 0.00 0.00 34.95 31.43 2da6 s ARG 10 CO 0.34 0.59 2.23 0.12 -0.68 0.00 0.00 175.30 177.90 2da6 s PHE 11 N -0.58 1.20 -0.14 -0.53 5.36 -1.26 -4.94 117.98 117.09 2da6 s PHE 11 Ca 0.10 0.83 -0.22 0.00 -0.96 0.00 0.00 56.93 56.67 2da6 s PHE 11 Cb -0.12 -3.85 -0.03 0.00 -0.34 0.00 0.00 43.02 38.68 2da6 s PHE 11 CO 0.02 -3.54 0.68 0.21 -1.46 0.00 0.00 175.22 171.14 2da6 s LYS 12 N 6.84 4.31 1.09 10.12 2.47 -1.26 -5.05 119.74 138.26 2da6 s LYS 12 Ca 0.97 0.78 -0.12 0.00 -1.56 0.00 0.00 55.97 56.04 2da6 s LYS 12 Cb -0.27 -3.52 0.24 0.00 -1.46 0.00 0.00 37.83 32.81 2da6 s LYS 12 CO 0.32 -0.13 1.06 -1.58 0.16 0.00 0.00 175.35 175.18 2da6 s TRP 13 N 1.50 1.59 0.37 4.03 0.52 -1.26 -5.03 118.94 120.67 2da6 s TRP 13 Ca 0.33 1.22 0.06 0.00 0.02 0.00 0.00 56.10 57.74 2da6 s TRP 13 Cb -0.17 -3.16 0.06 0.00 -1.15 0.00 0.00 33.47 29.06 2da6 s TRP 13 CO 0.13 -3.48 0.51 0.41 0.02 0.00 0.00 176.95 174.54 2da6 n GLY 14 N 0.25 1.96 0.22 0.98 0.00 -1.26 -4.93 105.19 102.41 2da6 n GLY 14 Ca 0.05 -2.19 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 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 0.51 0.01 1.61 0.13 -2.01 -2.89 132.00 129.36 2da6 h PRO 15 Ca -0.17 -0.27 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2da6 h PRO 15 Cb 0.80 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 2da6 h PRO 15 CO 0.25 0.85 -1.11 0.00 -0.23 0.00 0.00 178.00 177.76 2da6 h ALA 16 N 1.12 0.23 -0.45 -0.56 0.00 -1.95 -3.36 119.26 114.29 2da6 h ALA 16 Ca 0.03 -1.12 0.08 0.00 0.00 0.00 0.00 54.91 53.90 2da6 h ALA 16 Cb 0.93 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 2da6 h ALA 16 CO 0.08 0.63 -0.39 0.66 0.00 0.00 0.00 179.25 180.23 2da6 h SER 17 N -0.96 -1.31 -0.45 0.00 4.64 -1.86 -2.05 113.55 111.56 2da6 h SER 17 Ca -0.30 0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2da6 h SER 17 Cb 1.29 0.59 -0.08 0.00 -0.31 0.00 0.00 62.40 63.89 2da6 h SER 17 CO -0.17 -0.34 -0.51 1.56 -0.87 0.00 0.00 176.83 176.50 2da6 h GLN 18 N -0.27 -0.29 -0.90 4.77 4.20 -1.71 0.73 115.11 121.63 2da6 h GLN 18 Ca 0.16 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.14 2da6 h GLN 18 Cb 0.57 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.26 2da6 h GLN 18 CO -0.59 -0.20 0.17 1.96 -0.67 0.00 0.00 178.83 179.50 2da6 h GLN 19 N -0.31 0.13 -0.98 1.46 4.20 -1.53 0.61 115.11 118.70 2da6 h GLN 19 Ca 0.08 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2da6 h GLN 19 Cb 0.51 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.20 2da6 h GLN 19 CO -0.58 0.09 0.63 0.82 -0.67 0.00 0.00 178.83 179.12 2da6 h ILE 20 N 0.13 1.14 -0.60 2.54 2.04 -0.35 -1.28 117.51 121.13 2da6 h ILE 20 Ca 0.56 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 2da6 h ILE 20 Cb 1.15 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2da6 h ILE 20 CO -0.73 0.22 0.23 -0.07 0.00 0.00 0.00 178.15 177.81 2da6 h LEU 21 N 1.21 0.81 -0.06 1.44 3.38 0.10 -2.31 115.31 119.87 2da6 h LEU 21 Ca 0.40 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 21 Cb 0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2da6 h LEU 21 CO -0.14 0.73 -0.04 1.88 0.09 0.00 0.00 178.44 180.96 2da6 h TYR 22 N 0.87 0.16 -0.89 1.13 0.05 -0.63 -0.08 116.97 117.57 2da6 h TYR 22 Ca 0.20 -0.04 0.12 0.00 0.05 0.00 0.00 58.73 59.06 2da6 h TYR 22 Cb 0.18 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.80 2da6 h TYR 22 CO 0.01 0.54 0.51 1.96 -1.05 0.00 0.00 178.16 180.13 2da6 h GLN 23 N -0.27 0.76 -0.09 4.88 1.08 -1.10 0.42 115.11 120.80 2da6 h GLN 23 Ca 0.01 -0.05 -0.16 0.00 -1.45 0.00 0.00 58.65 57.00 2da6 h GLN 23 Cb 0.50 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2da6 h GLN 23 CO 0.01 0.51 -0.59 0.00 -0.95 0.00 0.00 178.83 177.81 2da6 h ALA 24 N 1.52 0.19 -0.23 3.87 0.00 -1.38 -3.21 119.26 120.01 2da6 h ALA 24 Ca 0.45 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2da6 h ALA 24 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2da6 h ALA 24 CO -0.30 0.44 -0.08 -0.92 0.00 0.00 0.00 179.25 178.39 2da6 h TYR 25 N 0.16 0.38 -0.41 0.00 5.03 -0.25 -1.53 116.97 120.34 2da6 h TYR 25 Ca -0.05 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 2da6 h TYR 25 Cb 1.24 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.39 2da6 h TYR 25 CO 0.11 0.44 0.21 0.22 -1.32 0.00 0.00 178.16 177.83 2da6 h ASP 26 N 0.35 0.50 0.00 -2.11 3.58 -0.19 -3.08 116.42 115.47 2da6 h ASP 26 Ca 0.07 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2da6 h ASP 26 Cb 0.36 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2da6 h ASP 26 CO 0.02 0.41 -0.24 0.03 -2.88 0.00 0.00 179.24 176.58 2da6 h ARG 27 N 0.57 0.00 -4.60 0.28 3.08 -1.44 -3.46 114.38 108.80 2da6 h ARG 27 Ca 0.15 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.73 2da6 h ARG 27 Cb 0.03 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.77 2da6 h ARG 27 CO -0.02 0.99 -0.80 -1.14 -1.07 0.00 0.00 179.97 177.93 2da6 s GLN 28 N -2.24 1.22 0.07 0.04 2.00 -0.63 -5.04 119.66 115.09 2da6 s GLN 28 Ca -0.21 -0.34 -0.13 0.00 -2.00 0.00 0.00 55.36 52.68 2da6 s GLN 28 Cb -0.01 -1.09 -0.26 0.00 0.80 0.00 0.00 33.01 32.44 2da6 s GLN 28 CO 0.66 0.09 1.13 0.87 -0.50 0.00 0.00 175.29 177.54 2da6 h LYS 29 N 6.60 0.59 -3.44 1.67 1.79 -1.85 -3.35 116.57 118.59 2da6 h LYS 29 Ca -0.33 -0.77 -0.69 0.00 -2.18 0.00 0.00 60.65 56.68 2da6 h LYS 29 Cb 1.17 0.25 -0.37 0.00 -1.58 0.00 0.00 32.23 31.71 2da6 h LYS 29 CO 0.48 1.34 -0.35 -0.80 -1.08 0.00 0.00 179.45 179.05 2da6 s ASN 30 N -7.37 5.27 0.25 0.86 0.01 -1.26 -4.99 114.94 107.72 2da6 s ASN 30 Ca -0.09 -3.18 -0.30 0.00 -0.71 0.00 0.00 52.86 48.58 2da6 s ASN 30 Cb 0.06 -1.82 -0.09 0.00 0.41 0.00 0.00 41.25 39.80 2da6 s ASN 30 CO 0.92 -0.28 1.27 -2.16 -1.51 0.00 0.00 177.10 175.34 2da6 s PRO 31 N -0.54 4.43 0.60 -0.60 0.04 -1.26 -5.04 135.00 132.61 2da6 s PRO 31 Ca 0.20 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.37 2da6 s PRO 31 Cb -0.16 -3.16 0.09 0.00 0.04 0.00 0.00 34.50 31.31 2da6 s PRO 31 CO -0.06 -0.14 0.82 -1.12 0.04 0.00 0.00 177.00 176.54 2da6 s SER 32 N -0.14 4.98 0.24 6.66 0.01 -1.26 -4.50 113.70 119.69 2da6 s SER 32 Ca 0.52 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2da6 s SER 32 Cb -0.36 0.17 0.62 0.00 0.21 0.00 0.00 66.02 66.66 2da6 s SER 32 CO 0.43 -1.42 1.22 1.17 0.41 0.00 0.00 173.24 175.06 2da6 n LYS 33 N -2.35 -0.06 0.35 12.44 3.00 -1.26 0.10 118.16 130.38 2da6 n LYS 33 Ca 0.15 1.16 -0.15 0.00 -0.00 0.00 0.00 58.31 59.48 2da6 n LYS 33 Cb 0.61 -1.86 -0.07 0.00 0.00 0.00 0.00 35.03 33.71 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 -0.90 0.15 1.64 4.39 -1.98 -0.69 114.58 117.19 2da6 h GLU 34 Ca 0.48 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2da6 h GLU 34 Cb 1.02 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 2da6 h GLU 34 CO -0.73 -0.60 -0.38 0.93 -1.16 0.00 0.00 179.01 177.08 2da6 h GLU 35 N -1.24 -0.56 -0.65 2.33 4.39 -0.91 -0.77 114.58 117.17 2da6 h GLU 35 Ca -0.10 0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.78 2da6 h GLU 35 Cb 0.72 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.40 2da6 h GLU 35 CO 0.16 -0.37 0.07 0.00 -1.16 0.00 0.00 179.01 177.70 2da6 h ARG 36 N -0.58 0.17 -0.43 2.33 3.08 -0.46 -0.90 114.38 117.59 2da6 h ARG 36 Ca -0.01 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2da6 h ARG 36 Cb 0.56 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.50 2da6 h ARG 36 CO -0.17 0.11 -0.03 0.93 -1.07 0.00 0.00 179.97 179.74 2da6 h GLU 37 N 0.18 0.07 -0.09 0.04 4.39 -0.62 0.27 114.58 118.82 2da6 h GLU 37 Ca 0.35 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.07 2da6 h GLU 37 Cb 0.57 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2da6 h GLU 37 CO -0.51 0.05 0.33 0.00 -1.16 0.00 0.00 179.01 177.72 2da6 h ALA 38 N 1.40 1.49 0.00 3.43 0.00 0.30 0.46 119.26 126.34 2da6 h ALA 38 Ca 0.21 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2da6 h ALA 38 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2da6 h ALA 38 CO -0.39 -0.38 -1.55 1.28 0.00 0.00 0.00 179.25 178.21 2da6 n LEU 39 N -3.10 0.51 0.03 0.00 4.77 0.82 -2.69 117.00 117.33 2da6 n LEU 39 Ca -0.00 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2da6 n LEU 39 Cb 0.41 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2da6 n LEU 39 CO 0.17 0.02 0.24 0.58 -1.33 0.00 0.00 177.39 177.07 2da6 h VAL 40 N 0.00 1.33 0.12 4.08 2.07 0.11 -2.55 116.25 121.41 2da6 h VAL 40 Ca -0.10 -2.16 -0.31 0.00 0.82 0.00 0.00 66.70 64.95 2da6 h VAL 40 Cb 1.27 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2da6 h VAL 40 CO 0.01 0.66 -1.61 1.05 0.02 0.00 0.00 177.57 177.71 2da6 h GLU 41 N 0.38 0.25 -0.41 1.57 4.11 -1.54 -3.22 114.58 115.72 2da6 h GLU 41 Ca -0.07 -0.43 0.03 0.00 0.07 0.00 0.00 59.36 58.96 2da6 h GLU 41 Cb 1.47 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.85 2da6 h GLU 41 CO 0.16 1.21 0.20 1.49 0.07 0.00 0.00 179.01 182.14 2da6 h GLU 42 N -0.20 0.40 0.27 1.06 4.57 -1.63 -0.34 114.58 118.71 2da6 h GLU 42 Ca -0.35 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 2da6 h GLU 42 Cb 1.85 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.35 2da6 h GLU 42 CO 0.06 0.26 -0.13 0.00 -1.18 0.00 0.00 179.01 178.03 2da6 h ASN 44 N -0.39 0.31 0.49 0.00 2.35 -1.56 0.20 115.58 116.98 2da6 h ASN 44 Ca -0.04 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2da6 h ASN 44 Cb 0.27 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2da6 h ASN 44 CO 0.06 -0.04 -0.23 -0.09 -1.65 0.00 0.00 177.43 175.47 2da6 h ARG 45 N 0.22 -0.63 -0.63 0.81 2.43 -0.89 -2.86 114.38 112.83 2da6 h ARG 45 Ca 0.70 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.96 2da6 h ARG 45 Cb 2.07 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 31.72 2da6 h ARG 45 CO -0.32 -0.33 0.35 0.00 -1.51 0.00 0.00 179.97 178.16 2da6 h ALA 46 N -0.76 0.83 -0.81 2.80 0.00 0.62 -2.04 119.26 119.91 2da6 h ALA 46 Ca -0.07 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.01 2da6 h ALA 46 Cb 0.59 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 2da6 h ALA 46 CO 0.11 0.03 0.35 0.93 0.00 0.00 0.00 179.25 180.67 2da6 h GLU 47 N 0.65 0.47 -0.68 0.00 5.08 -0.73 0.42 114.58 119.79 2da6 h GLU 47 Ca 0.28 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2da6 h GLU 47 Cb 0.15 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2da6 h GLU 47 CO -0.17 0.31 0.14 0.00 -1.00 0.00 0.00 179.01 178.29 2da6 h LEU 49 N 1.03 -0.79 -0.96 0.00 3.38 -0.59 1.89 115.31 119.28 2da6 h LEU 49 Ca 0.21 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 49 Cb 0.41 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2da6 h LEU 49 CO 0.01 -0.48 0.61 0.06 0.09 0.00 0.00 178.44 178.73 2da6 h GLN 50 N -1.05 1.08 -0.02 1.13 3.07 -1.10 0.16 115.11 118.38 2da6 h GLN 50 Ca -0.09 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2da6 h GLN 50 Cb 0.74 -0.24 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2da6 h GLN 50 CO 0.16 0.72 0.00 0.54 0.09 0.00 0.00 178.83 180.33 2da6 n ARG 51 N -4.54 1.07 0.00 0.06 1.74 -0.28 -4.87 116.66 109.84 2da6 n ARG 51 Ca 0.14 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2da6 n ARG 51 Cb 0.18 -1.25 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 0.77 2.78 3.32 -0.13 0.00 0.56 -4.99 105.19 107.50 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 -0.85 0.00 -3.80 1.61 0.31 0.62 -4.79 118.33 111.44 2da6 n VAL 53 Ca 0.00 -0.26 -0.37 0.00 -0.01 0.00 0.00 64.34 63.70 2da6 n VAL 53 Cb 0.00 -0.94 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 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 -2.61 6.48 0.00 4.52 0.15 -1.26 -3.28 113.70 117.71 2da6 s SER 54 Ca 0.66 0.57 0.12 0.00 0.70 0.00 0.00 55.95 57.99 2da6 s SER 54 Cb -0.18 -2.10 0.69 0.00 -1.71 0.00 0.00 66.02 62.71 2da6 s SER 54 CO 0.60 0.37 1.12 -0.81 1.20 0.00 0.00 173.24 175.72 2da6 n PRO 55 N 1.81 0.49 -0.03 5.44 -0.04 -1.26 -2.11 135.00 139.29 2da6 n PRO 55 Ca -0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.30 2da6 n PRO 55 Cb 0.54 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.87 1.36 -2.08 3.54 2.88 -1.26 -4.44 113.62 112.75 2da6 n SER 56 Ca 0.09 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.40 2da6 n SER 56 Cb 0.04 1.37 0.16 0.00 -0.75 0.00 0.00 64.21 65.03 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 -2.26 2.30 -0.02 -1.46 5.02 -0.90 -4.62 118.16 116.23 2da6 n LYS 57 Ca -0.12 -3.12 0.20 0.00 -2.02 0.00 0.00 58.31 53.25 2da6 n LYS 57 Cb 0.65 -2.15 0.68 0.00 -0.02 0.00 0.00 35.03 34.19 2da6 n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2da6 h ALA 58 N 1.21 2.48 -1.26 7.82 0.00 -1.77 -0.98 119.26 126.75 2da6 h ALA 58 Ca 0.56 -0.02 0.36 0.00 0.00 0.00 0.00 54.91 55.82 2da6 h ALA 58 Cb 2.29 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 20.06 2da6 h ALA 58 CO 1.08 -0.63 0.94 1.12 0.00 0.00 0.00 179.25 181.76 2da6 h HIS 59 N 0.03 0.00 -0.25 0.00 2.07 -1.93 0.66 115.15 115.73 2da6 h HIS 59 Ca 0.26 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.68 2da6 h HIS 59 Cb 1.01 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.97 2da6 h HIS 59 CO -0.00 0.00 -0.27 0.78 -3.07 0.00 0.00 177.93 175.37 2da6 h GLY 60 N 0.00 0.53 -1.61 6.13 0.00 -1.57 -3.04 103.07 103.52 2da6 h GLY 60 Ca 0.60 -0.45 0.51 0.00 0.00 0.00 0.00 47.33 47.99 2da6 h GLY 60 CO -0.01 0.41 1.09 1.04 0.00 0.00 0.00 176.54 179.07 2da6 n LEU 61 N -4.11 0.13 0.00 3.11 4.77 0.23 -4.68 117.00 116.45 2da6 n LEU 61 Ca -0.01 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 2da6 n LEU 61 Cb 0.42 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2da6 n LEU 61 CO 0.42 -1.29 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 2da6 n GLY 62 N -1.67 0.81 0.30 -0.72 0.00 -1.15 -0.47 105.19 102.29 2da6 n GLY 62 Ca 0.42 0.65 -0.05 0.00 0.00 0.00 0.00 46.02 47.04 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 0.84 -0.08 1.61 4.64 -1.93 -1.71 113.55 116.91 2da6 h SER 63 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2da6 h SER 63 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2da6 h SER 63 CO 0.00 0.86 0.00 -3.20 -0.87 0.00 0.00 176.83 173.62 2da6 n ASN 64 N -4.23 0.66 -4.73 4.97 5.15 0.38 -4.84 115.26 112.63 2da6 n ASN 64 Ca 0.03 -2.02 -0.41 0.00 -0.60 0.00 0.00 54.58 51.59 2da6 n ASN 64 Cb 0.27 -0.15 -0.04 0.00 -0.53 0.00 0.00 39.78 39.33 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2da6 s LEU 65 N -0.86 4.41 0.36 1.20 2.96 -0.65 -4.92 118.68 121.19 2da6 s LEU 65 Ca 0.06 1.53 -0.07 0.00 -0.22 0.00 0.00 54.13 55.42 2da6 s LEU 65 Cb 0.03 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 2da6 s LEU 65 CO 0.03 -0.10 0.67 -0.69 -1.32 0.00 0.00 176.35 174.95 2da6 s VAL 66 N 0.40 4.92 0.05 1.68 1.01 -1.26 -4.96 120.40 122.23 2da6 s VAL 66 Ca 0.44 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2da6 s VAL 66 Cb -0.21 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.46 2da6 s VAL 66 CO 0.25 -0.49 0.47 0.42 0.00 0.00 0.00 175.10 175.75 2da6 s THR 67 N -2.30 0.04 0.26 3.92 -4.23 -1.26 -4.96 115.64 107.10 2da6 s THR 67 Ca 0.47 -0.34 0.11 0.00 -1.18 0.00 0.00 61.69 60.75 2da6 s THR 67 Cb -0.10 -0.97 0.27 0.00 1.34 0.00 0.00 72.50 73.04 2da6 s THR 67 CO 0.33 -0.19 1.15 1.21 -0.54 0.00 0.00 174.62 176.58 2da6 n GLU 68 N 0.44 -0.05 0.13 3.99 2.13 -1.26 0.13 120.64 126.15 2da6 n GLU 68 Ca -0.18 1.04 -0.14 0.00 0.66 0.00 0.00 57.16 58.54 2da6 n GLU 68 Cb 0.60 -1.79 -0.08 0.00 0.27 0.00 0.00 31.44 30.44 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 0.82 -0.66 6.31 2.07 -1.98 -1.35 116.25 121.46 2da6 h VAL 69 Ca 0.56 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.78 2da6 h VAL 69 Cb 1.40 1.06 -0.12 0.00 -1.52 0.00 0.00 31.29 32.11 2da6 h VAL 69 CO -0.60 0.09 -0.37 0.03 0.02 0.00 0.00 177.57 176.74 2da6 h ARG 70 N -0.53 -0.14 -0.66 1.57 2.47 0.68 0.18 114.38 117.95 2da6 h ARG 70 Ca -0.03 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 2da6 h ARG 70 Cb 0.39 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2da6 h ARG 70 CO 0.05 -0.09 0.31 0.28 0.56 0.00 0.00 179.97 181.08 2da6 h VAL 71 N -0.14 1.23 -0.63 2.04 2.07 -1.45 -1.85 116.25 117.52 2da6 h VAL 71 Ca 0.24 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.18 2da6 h VAL 71 Cb 0.56 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2da6 h VAL 71 CO -0.74 0.27 0.32 0.22 0.02 0.00 0.00 177.57 177.66 2da6 h TYR 72 N 0.92 0.58 0.29 1.57 5.03 0.33 -1.39 116.97 124.30 2da6 h TYR 72 Ca 0.23 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.55 2da6 h TYR 72 Cb 0.13 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.25 2da6 h TYR 72 CO 0.00 0.25 -0.14 -0.91 -1.32 0.00 0.00 178.16 176.05 2da6 h ASN 73 N 0.58 -0.33 -0.55 -2.11 2.35 -0.50 -2.49 115.58 112.54 2da6 h ASN 73 Ca 0.29 -0.16 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 2da6 h ASN 73 Cb 0.23 0.08 -0.11 0.00 0.05 0.00 0.00 38.32 38.58 2da6 h ASN 73 CO -0.21 -0.01 -0.24 -0.25 -1.65 0.00 0.00 177.43 175.07 2da6 h TRP 74 N -0.66 -0.63 -0.94 1.19 7.01 -1.09 0.18 115.95 121.00 2da6 h TRP 74 Ca -0.04 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.10 2da6 h TRP 74 Cb 0.47 0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 2da6 h TRP 74 CO 0.01 -0.33 0.61 0.74 -2.79 0.00 0.00 178.44 176.68 2da6 h PHE 75 N -0.11 1.08 -0.49 2.65 -1.00 -1.26 -1.12 116.94 116.69 2da6 h PHE 75 Ca 0.25 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 2da6 h PHE 75 Cb 0.50 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2da6 h PHE 75 CO -0.55 0.54 0.28 0.00 -1.61 0.00 0.00 178.31 176.97 2da6 h ALA 76 N 1.51 0.63 -0.07 2.45 0.00 -0.22 -2.23 119.26 121.33 2da6 h ALA 76 Ca 0.42 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2da6 h ALA 76 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2da6 h ALA 76 CO -0.17 0.13 -0.33 -0.97 0.00 0.00 0.00 179.25 177.91 2da6 h ASN 77 N 0.65 0.13 0.88 0.00 -0.73 -0.42 -1.13 115.58 114.96 2da6 h ASN 77 Ca 0.17 -0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 2da6 h ASN 77 Cb 0.03 -0.04 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 2da6 h ASN 77 CO -0.03 0.46 -0.15 0.03 -0.37 0.00 0.00 177.43 177.38 2da6 h ARG 78 N 0.12 0.00 0.00 6.67 2.47 -0.71 -1.66 114.38 121.27 2da6 h ARG 78 Ca 0.01 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.58 2da6 h ARG 78 Cb 0.65 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.94 2da6 h ARG 78 CO 0.05 0.15 -1.70 0.54 0.56 0.00 0.00 179.97 179.57 2da6 n ARG 79 N -3.33 0.64 0.08 0.04 1.74 -0.89 -3.57 116.66 111.38 2da6 n ARG 79 Ca 0.00 0.07 -0.11 0.00 -0.77 0.00 0.00 57.85 57.04 2da6 n ARG 79 Cb 0.37 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.16 0.03 5.56 1.57 -1.01 -3.07 116.57 119.80 2da6 h LYS 80 Ca -0.19 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2da6 h LYS 80 Cb 1.53 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2da6 h LYS 80 CO 0.03 1.10 -0.01 1.05 -0.57 0.00 0.00 179.45 181.05 2da6 h GLU 81 N 0.05 -0.03 -0.93 3.15 4.11 -1.47 -0.36 114.58 119.09 2da6 h GLU 81 Ca -0.07 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.47 2da6 h GLU 81 Cb 1.83 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.01 2da6 h GLU 81 CO 0.17 0.61 0.60 1.05 0.07 0.00 0.00 179.01 181.50 2da6 h GLU 82 N -0.72 0.86 0.00 1.06 4.11 -1.69 0.66 114.58 118.86 2da6 h GLU 82 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2da6 h GLU 82 Cb 0.65 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2da6 h GLU 82 CO 0.01 0.57 -0.32 0.00 0.07 0.00 0.00 179.01 179.33 2da6 h ALA 83 N 1.56 0.82 0.10 1.06 0.00 -1.58 -3.38 119.26 117.83 2da6 h ALA 83 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 2da6 h ALA 83 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2da6 h ALA 83 CO -0.21 0.00 -0.12 0.35 0.00 0.00 0.00 179.25 179.27 2da6 h PHE 84 N 0.00 -0.33 -0.71 0.00 3.04 0.95 0.31 116.94 120.21 2da6 h PHE 84 Ca 0.00 0.00 0.21 0.00 3.98 0.00 0.00 57.97 62.16 2da6 h PHE 84 Cb 0.88 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 2da6 h PHE 84 CO 0.00 -0.15 1.05 0.00 -2.02 0.00 0.00 178.31 177.19 2da6 h ARG 85 N -0.22 0.00 0.13 1.11 3.08 -1.73 1.09 114.38 117.85 2da6 h ARG 85 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.71 2da6 h ARG 85 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2da6 h ARG 85 CO -0.03 0.00 -1.69 1.96 -1.07 0.00 0.00 179.97 179.14 2da6 h GLN 86 N 0.00 0.27 -0.26 0.04 4.20 -1.40 -3.29 115.11 114.67 2da6 h GLN 86 Ca 0.34 -0.46 0.02 0.00 0.06 0.00 0.00 58.65 58.60 2da6 h GLN 86 Cb 2.43 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 30.36 2da6 h GLN 86 CO -0.00 1.22 0.12 -0.22 -0.67 0.00 0.00 178.83 179.28 2da6 h LYS 87 N -0.12 0.24 0.00 1.46 3.64 0.49 -0.21 116.57 122.08 2da6 h LYS 87 Ca -0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2da6 h LYS 87 Cb 1.91 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 2da6 h LYS 87 CO 0.08 0.16 0.00 1.47 -2.27 0.00 0.00 179.45 178.89 2da6 n LEU 88 N -4.99 0.00 0.02 5.20 -0.00 -0.60 -1.87 117.00 114.75 2da6 n LEU 88 Ca -0.02 0.45 -0.01 0.00 -0.00 0.00 0.00 56.01 56.44 2da6 n LEU 88 Cb 0.07 -0.45 -0.09 0.00 -0.00 0.00 0.00 43.42 42.95 2da6 n LEU 88 CO 0.31 -0.27 -0.36 0.00 -0.00 0.00 0.00 177.39 177.07 2da6 n ALA 89 N -1.45 1.90 -0.21 1.47 0.00 -0.15 -4.11 120.51 117.97 2da6 n ALA 89 Ca 0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.80 2da6 n ALA 89 Cb 0.13 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 0.00 1.05 -6.96 0.00 2.86 -0.75 -3.45 114.93 107.69 2da6 h MET 90 Ca -0.19 -0.31 -0.39 0.00 -2.06 0.00 0.00 59.70 56.75 2da6 h MET 90 Cb 1.63 -0.11 0.22 0.00 0.06 0.00 0.00 31.60 33.40 2da6 h MET 90 CO 0.05 1.01 -0.16 -3.47 1.06 0.00 0.00 176.91 175.40 2da6 n ASP 91 N -4.19 -3.25 -4.68 1.22 2.03 -1.24 -4.95 116.55 101.49 2da6 n ASP 91 Ca 0.03 -0.59 -0.39 0.00 0.52 0.00 0.00 54.79 54.36 2da6 n ASP 91 Cb 0.33 -1.08 -0.06 0.00 -0.72 0.00 0.00 41.12 39.59 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 -2.22 3.50 0.55 -1.67 0.00 -1.26 -5.07 121.76 115.59 2da6 s ALA 92 Ca 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2da6 s ALA 92 Cb -0.17 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.09 2da6 s ALA 92 CO 0.60 -0.37 0.78 1.52 0.00 0.00 0.00 175.76 178.29 2da6 s TYR 93 N 1.46 2.94 0.66 0.00 -0.85 -1.26 -5.10 117.35 115.20 2da6 s TYR 93 Ca 0.29 0.09 -0.05 0.00 -0.52 0.00 0.00 57.07 56.87 2da6 s TYR 93 Cb -0.16 -2.71 0.05 0.00 0.38 0.00 0.00 41.96 39.52 2da6 s TYR 93 CO 0.11 -0.83 0.96 -1.12 -1.52 0.00 0.00 175.55 173.16 2da6 s SER 94 N -4.39 5.00 0.03 -0.18 0.01 -1.26 -4.98 113.70 107.91 2da6 s SER 94 Ca 0.56 0.42 -0.32 0.00 1.31 0.00 0.00 55.95 57.92 2da6 s SER 94 Cb -0.10 -1.15 -0.11 0.00 0.21 0.00 0.00 66.02 64.87 2da6 s SER 94 CO 0.39 -1.45 1.88 -1.54 0.41 0.00 0.00 173.24 172.93 2da6 n SER 95 N -2.78 3.81 -3.95 2.44 3.41 -1.26 -4.96 113.62 110.32 2da6 n SER 95 Ca 0.07 0.96 -0.09 0.00 -0.26 0.00 0.00 58.87 59.55 2da6 n SER 95 Cb 0.60 -1.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.01 2da6 n SER 95 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2da6 s ASN 96 N 3.62 0.06 -0.54 4.04 -0.87 -1.26 -5.12 114.94 114.88 2da6 s ASN 96 Ca 0.88 -0.85 -0.16 0.00 -1.57 0.00 0.00 52.86 51.15 2da6 s ASN 96 Cb -0.55 0.42 0.13 0.00 -0.02 0.00 0.00 41.25 41.22 2da6 s ASN 96 CO 0.44 -0.86 0.50 -0.55 -2.57 0.00 0.00 177.10 174.05 2da6 s SER 97 N -2.96 6.19 0.00 -1.22 0.15 -1.26 -5.01 113.70 109.59 2da6 s SER 97 Ca 0.16 -1.76 0.00 0.00 0.70 0.00 0.00 55.95 55.05 2da6 s SER 97 Cb 0.04 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2da6 s SER 97 CO -0.01 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.18 2da6 n GLY 98 N 5.25 5.96 3.69 9.45 0.00 -1.26 -5.11 105.19 123.17 2da6 n GLY 98 Ca -0.14 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2da6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da6 s PRO 99 N 1.24 4.26 -0.11 1.61 0.04 -1.26 -5.02 135.00 135.76 2da6 s PRO 99 Ca 0.00 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2da6 s PRO 99 Cb 0.00 -3.61 -0.01 0.00 0.04 0.00 0.00 34.50 30.91 2da6 s PRO 99 CO 0.00 -0.62 -0.17 0.45 0.04 0.00 0.00 177.00 176.70 2da6 s SER 100 N 2.07 3.72 -0.30 6.66 0.15 -1.26 -5.09 113.70 119.65 2da6 s SER 100 Ca 0.66 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.85 2da6 s SER 100 Cb -0.32 -1.46 0.18 0.00 -1.71 0.00 0.00 66.02 62.71 2da6 s SER 100 CO 0.27 0.18 0.78 -0.55 1.20 0.00 0.00 173.24 175.12 2da6 s SER 101 N 0.24 -1.00 0.00 5.45 0.15 -1.26 -5.34 113.70 111.94 2da6 s SER 101 Ca -0.11 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2da6 s SER 101 Cb -0.16 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.05 2da6 s SER 101 CO 0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.92