#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 -0.79 0.03 1.61 0.15 -1.26 -5.03 113.70 108.41 2da6 s SER 2 Ca 0.00 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2da6 s SER 2 Cb 0.00 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 2da6 s SER 2 CO 0.00 -0.30 0.00 -1.54 1.20 0.00 0.00 173.24 172.60 2da6 n SER 3 N 5.40 0.07 -0.14 5.45 3.41 -1.26 -5.16 113.62 121.39 2da6 n SER 3 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2da6 n SER 3 Cb 0.51 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2da6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2da6 n GLY 4 N 2.25 2.11 3.33 5.00 0.00 -1.26 -5.15 105.19 111.47 2da6 n GLY 4 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 1.58 3.88 0.08 1.61 0.15 -1.26 -5.07 113.70 114.68 2da6 s SER 5 Ca 0.00 -0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.02 2da6 s SER 5 Cb 0.00 -1.59 -0.14 0.00 -1.71 0.00 0.00 66.02 62.58 2da6 s SER 5 CO 0.00 0.13 0.58 -1.20 1.20 0.00 0.00 173.24 173.95 2da6 n SER 6 N 3.75 -0.52 -3.64 5.45 7.64 -1.26 -4.95 113.62 120.08 2da6 n SER 6 Ca -0.18 0.86 -0.04 0.00 1.01 0.00 0.00 58.87 60.51 2da6 n SER 6 Cb 0.52 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 2da6 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2da6 s GLY 7 N -0.42 -0.11 0.15 0.23 0.00 -1.26 -5.14 107.32 100.77 2da6 s GLY 7 Ca 0.57 2.95 -0.31 0.00 0.00 0.00 0.00 44.72 47.93 2da6 s GLY 7 CO 0.42 2.39 1.53 0.50 0.00 0.00 0.00 173.10 177.95 2da6 s ARG 8 N 1.12 4.24 0.03 2.90 0.52 -1.26 -5.01 118.95 121.49 2da6 s ARG 8 Ca -0.06 2.29 0.04 0.00 -0.52 0.00 0.00 55.73 57.47 2da6 s ARG 8 Cb -0.04 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.21 2da6 s ARG 8 CO -0.13 -0.57 -0.11 0.54 0.02 0.00 0.00 175.30 175.04 2da6 s ASN 9 N 1.20 1.27 -1.29 0.23 2.20 -1.26 -5.07 114.94 112.23 2da6 s ASN 9 Ca 0.69 -0.43 -0.16 0.00 -0.94 0.00 0.00 52.86 52.02 2da6 s ASN 9 Cb -0.42 -0.06 0.10 0.00 -2.00 0.00 0.00 41.25 38.88 2da6 s ASN 9 CO 0.31 -0.03 1.70 0.54 -2.94 0.00 0.00 177.10 176.68 2da6 n ARG 10 N 1.93 3.24 -4.91 3.55 1.74 -1.26 -4.94 116.66 116.01 2da6 n ARG 10 Ca -0.19 -3.40 -0.27 0.00 -0.77 0.00 0.00 57.85 53.22 2da6 n ARG 10 Cb 0.55 -3.32 -0.16 0.00 -1.02 0.00 0.00 32.46 28.51 2da6 n ARG 10 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2da6 s PHE 11 N 3.16 1.85 -0.03 -1.55 5.36 -1.26 -4.83 117.98 120.68 2da6 s PHE 11 Ca 0.49 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.94 2da6 s PHE 11 Cb 0.03 -1.24 0.01 0.00 -0.34 0.00 0.00 43.02 41.48 2da6 s PHE 11 CO 0.04 -0.18 -0.08 0.21 -1.46 0.00 0.00 175.22 173.75 2da6 s LYS 12 N 0.01 0.91 0.66 10.12 2.47 -1.26 -5.11 119.74 127.53 2da6 s LYS 12 Ca -0.04 -0.25 -0.16 0.00 -1.56 0.00 0.00 55.97 53.96 2da6 s LYS 12 Cb -0.12 -0.85 -0.00 0.00 -1.46 0.00 0.00 37.83 35.40 2da6 s LYS 12 CO 0.03 0.06 1.16 -1.58 0.16 0.00 0.00 175.35 175.18 2da6 s TRP 13 N 0.35 2.40 0.48 4.03 0.52 -1.26 -4.92 118.94 120.54 2da6 s TRP 13 Ca -0.05 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.63 2da6 s TRP 13 Cb -0.10 -3.34 0.09 0.00 -1.15 0.00 0.00 33.47 28.98 2da6 s TRP 13 CO 0.00 -2.06 0.65 0.41 0.02 0.00 0.00 176.95 175.98 2da6 n GLY 14 N 0.04 0.80 0.24 0.98 0.00 -1.26 -4.91 105.19 101.07 2da6 n GLY 14 Ca 0.12 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.01 -3.00 132.00 129.40 2da6 h PRO 15 Ca -0.22 -0.35 -0.10 0.00 -0.87 0.00 0.00 66.00 64.46 2da6 h PRO 15 Cb 0.82 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2da6 h PRO 15 CO 0.24 0.96 -0.61 0.00 -0.23 0.00 0.00 178.00 178.35 2da6 h ALA 16 N 1.00 0.11 -0.59 -0.56 0.00 -1.95 -3.36 119.26 113.92 2da6 h ALA 16 Ca 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 54.91 54.27 2da6 h ALA 16 Cb 0.94 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 2da6 h ALA 16 CO 0.09 0.38 -0.52 0.77 0.00 0.00 0.00 179.25 179.96 2da6 h SER 17 N -1.00 -1.82 -0.86 0.00 0.02 -1.85 -1.62 113.55 106.42 2da6 h SER 17 Ca -0.15 0.25 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 2da6 h SER 17 Cb 0.94 0.77 -0.10 0.00 0.14 0.00 0.00 62.40 64.14 2da6 h SER 17 CO -0.09 -0.31 -0.51 1.56 -1.14 0.00 0.00 176.83 176.34 2da6 h GLN 18 N -0.22 -0.00 -0.83 3.45 4.20 -1.73 0.34 115.11 120.32 2da6 h GLN 18 Ca 0.10 0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.01 2da6 h GLN 18 Cb 0.48 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.11 2da6 h GLN 18 CO -0.67 -0.00 -0.00 1.96 -0.67 0.00 0.00 178.83 179.45 2da6 h GLN 19 N -0.00 0.07 -0.77 1.46 4.20 -1.45 0.39 115.11 119.01 2da6 h GLN 19 Ca 0.14 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.93 2da6 h GLN 19 Cb 0.36 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 2da6 h GLN 19 CO -0.81 0.05 0.43 0.82 -0.67 0.00 0.00 178.83 178.65 2da6 h ILE 20 N 0.08 0.91 -0.80 2.54 2.04 0.21 -1.08 117.51 121.41 2da6 h ILE 20 Ca 0.47 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2da6 h ILE 20 Cb 0.86 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2da6 h ILE 20 CO -0.75 0.13 0.52 -0.07 0.00 0.00 0.00 178.15 177.98 2da6 h LEU 21 N 0.73 0.90 -0.12 1.44 3.38 0.62 -2.13 115.31 120.13 2da6 h LEU 21 Ca 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2da6 h LEU 21 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2da6 h LEU 21 CO -0.24 0.64 0.03 1.88 0.09 0.00 0.00 178.44 180.85 2da6 h TYR 22 N 1.06 0.19 -0.55 1.13 0.05 -0.63 0.02 116.97 118.24 2da6 h TYR 22 Ca 0.30 -0.02 0.12 0.00 0.05 0.00 0.00 58.73 59.18 2da6 h TYR 22 Cb -0.10 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 2da6 h TYR 22 CO -0.02 0.33 0.38 1.96 -1.05 0.00 0.00 178.16 179.77 2da6 h GLN 23 N -0.00 0.21 0.02 4.88 1.08 -0.97 0.26 115.11 120.59 2da6 h GLN 23 Ca 0.04 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2da6 h GLN 23 Cb 0.23 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2da6 h GLN 23 CO -0.00 0.14 -0.11 0.00 -0.95 0.00 0.00 178.83 177.91 2da6 h ALA 24 N 1.73 -0.01 -0.88 3.87 0.00 -1.04 -3.30 119.26 119.63 2da6 h ALA 24 Ca 0.26 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2da6 h ALA 24 Cb 0.74 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2da6 h ALA 24 CO -0.05 0.04 0.57 -0.92 0.00 0.00 0.00 179.25 178.89 2da6 h TYR 25 N -0.87 0.98 -0.37 0.00 5.03 -0.46 0.29 116.97 121.58 2da6 h TYR 25 Ca -0.02 0.03 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2da6 h TYR 25 Cb 1.06 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.00 2da6 h TYR 25 CO 0.26 0.50 0.25 0.22 -1.32 0.00 0.00 178.16 178.06 2da6 h ASP 26 N 0.95 0.26 0.01 -2.11 1.82 -1.07 -2.91 116.42 113.38 2da6 h ASP 26 Ca 0.38 -0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.88 2da6 h ASP 26 Cb 0.26 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 2da6 h ASP 26 CO -0.15 0.17 -0.74 0.03 -1.61 0.00 0.00 179.24 176.95 2da6 h ARG 27 N 0.30 0.03 -4.33 0.28 3.08 -1.17 -3.46 114.38 109.12 2da6 h ARG 27 Ca 0.16 -0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.67 2da6 h ARG 27 Cb 0.25 0.02 -0.34 0.00 0.08 0.00 0.00 29.97 29.98 2da6 h ARG 27 CO -0.03 1.03 -0.80 -1.14 -1.07 0.00 0.00 179.97 177.95 2da6 s GLN 28 N -2.32 1.39 0.13 0.04 2.00 -0.08 -5.03 119.66 115.79 2da6 s GLN 28 Ca -0.24 -0.29 -0.07 0.00 -2.00 0.00 0.00 55.36 52.76 2da6 s GLN 28 Cb 0.02 -1.25 -0.09 0.00 0.80 0.00 0.00 33.01 32.49 2da6 s GLN 28 CO 0.66 -0.05 1.32 0.87 -0.50 0.00 0.00 175.29 177.58 2da6 h LYS 29 N 7.23 0.57 -3.34 1.67 1.79 -1.85 -3.35 116.57 119.29 2da6 h LYS 29 Ca -0.32 -0.53 -0.66 0.00 -2.18 0.00 0.00 60.65 56.96 2da6 h LYS 29 Cb 1.17 0.13 -0.39 0.00 -1.58 0.00 0.00 32.23 31.56 2da6 h LYS 29 CO 0.46 1.15 -0.48 -0.80 -1.08 0.00 0.00 179.45 178.70 2da6 s ASN 30 N -7.10 4.88 0.15 0.86 0.01 -1.26 -5.01 114.94 107.47 2da6 s ASN 30 Ca -0.08 -3.29 -0.31 0.00 -0.71 0.00 0.00 52.86 48.48 2da6 s ASN 30 Cb 0.09 -1.73 -0.08 0.00 0.41 0.00 0.00 41.25 39.94 2da6 s ASN 30 CO 0.88 -0.22 1.34 -2.16 -1.51 0.00 0.00 177.10 175.43 2da6 s PRO 31 N -0.68 4.36 0.63 -0.60 0.04 -1.26 -5.04 135.00 132.46 2da6 s PRO 31 Ca 0.20 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.33 2da6 s PRO 31 Cb -0.17 -3.23 0.10 0.00 0.04 0.00 0.00 34.50 31.24 2da6 s PRO 31 CO -0.07 -0.34 0.87 -1.12 0.04 0.00 0.00 177.00 176.39 2da6 s SER 32 N 0.76 4.79 0.27 6.66 0.01 -1.26 -4.41 113.70 120.51 2da6 s SER 32 Ca 0.61 -0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.29 2da6 s SER 32 Cb -0.36 0.13 0.73 0.00 0.21 0.00 0.00 66.02 66.73 2da6 s SER 32 CO 0.34 -1.55 1.30 1.17 0.41 0.00 0.00 173.24 174.90 2da6 n LYS 33 N -2.49 -0.06 0.13 12.44 3.00 -1.26 0.42 118.16 130.34 2da6 n LYS 33 Ca 0.15 1.22 -0.13 0.00 -0.00 0.00 0.00 58.31 59.55 2da6 n LYS 33 Cb 0.61 -1.98 -0.08 0.00 0.00 0.00 0.00 35.03 33.57 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 -0.33 0.27 1.64 4.39 -1.98 -1.65 114.58 116.92 2da6 h GLU 34 Ca 0.54 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.25 2da6 h GLU 34 Cb 1.20 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2da6 h GLU 34 CO -0.75 -0.00 -0.16 0.93 -1.16 0.00 0.00 179.01 177.87 2da6 h GLU 35 N -0.70 -0.39 -0.82 2.33 4.39 -0.36 -1.58 114.58 117.45 2da6 h GLU 35 Ca -0.04 0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.89 2da6 h GLU 35 Cb 0.48 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.07 2da6 h GLU 35 CO 0.06 -0.26 0.02 0.00 -1.16 0.00 0.00 179.01 177.67 2da6 h ARG 36 N -0.40 0.09 -0.22 2.33 3.08 -0.47 0.67 114.38 119.46 2da6 h ARG 36 Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2da6 h ARG 36 Cb 0.32 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.29 2da6 h ARG 36 CO 0.04 0.06 -0.15 0.93 -1.07 0.00 0.00 179.97 179.78 2da6 h GLU 37 N 0.09 -0.14 -0.17 0.04 4.39 -1.17 0.12 114.58 117.74 2da6 h GLU 37 Ca 0.46 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.22 2da6 h GLU 37 Cb 0.86 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2da6 h GLU 37 CO -0.73 -0.09 0.59 0.00 -1.16 0.00 0.00 179.01 177.62 2da6 h ALA 38 N 0.99 1.78 0.00 3.43 0.00 0.18 0.84 119.26 126.48 2da6 h ALA 38 Ca 0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 2da6 h ALA 38 Cb 0.33 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2da6 h ALA 38 CO -0.31 -0.67 -1.87 1.28 0.00 0.00 0.00 179.25 177.68 2da6 n LEU 39 N -2.98 0.51 -0.11 0.00 4.77 0.31 -2.84 117.00 116.65 2da6 n LEU 39 Ca 0.02 0.23 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 2da6 n LEU 39 Cb 0.67 0.24 0.09 0.00 -2.33 0.00 0.00 43.42 42.09 2da6 n LEU 39 CO 0.14 0.32 0.74 0.58 -1.33 0.00 0.00 177.39 177.84 2da6 h VAL 40 N 0.00 1.27 0.13 4.08 2.07 0.17 -1.17 116.25 122.80 2da6 h VAL 40 Ca -0.31 -1.27 -0.30 0.00 0.82 0.00 0.00 66.70 65.64 2da6 h VAL 40 Cb 1.88 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 2da6 h VAL 40 CO 0.05 0.43 -1.54 1.05 0.02 0.00 0.00 177.57 177.58 2da6 h GLU 41 N 0.73 0.28 -0.51 1.57 4.11 -1.55 -3.20 114.58 116.02 2da6 h GLU 41 Ca 0.11 -0.49 0.02 0.00 0.07 0.00 0.00 59.36 59.08 2da6 h GLU 41 Cb 0.67 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2da6 h GLU 41 CO 0.05 1.23 0.31 1.49 0.07 0.00 0.00 179.01 182.16 2da6 h GLU 42 N -0.18 0.60 0.10 1.06 4.57 -1.56 -1.05 114.58 118.12 2da6 h GLU 42 Ca -0.32 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2da6 h GLU 42 Cb 1.87 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.32 2da6 h GLU 42 CO 0.09 0.39 -0.05 0.00 -1.18 0.00 0.00 179.01 178.27 2da6 h ASN 44 N -0.15 0.22 0.64 0.00 2.35 -1.59 0.79 115.58 117.84 2da6 h ASN 44 Ca -0.01 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2da6 h ASN 44 Cb 0.10 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.55 2da6 h ASN 44 CO 0.02 -0.08 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.32 2da6 h ARG 45 N 0.12 -0.83 -0.96 0.81 2.43 -1.05 -2.87 114.38 112.04 2da6 h ARG 45 Ca 0.76 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 60.11 2da6 h ARG 45 Cb 2.49 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 32.14 2da6 h ARG 45 CO -0.29 -0.55 0.61 0.00 -1.51 0.00 0.00 179.97 178.23 2da6 h ALA 46 N -1.28 1.64 -0.76 2.80 0.00 0.20 -1.05 119.26 120.81 2da6 h ALA 46 Ca -0.09 0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2da6 h ALA 46 Cb 0.66 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2da6 h ALA 46 CO 0.14 0.11 0.42 0.93 0.00 0.00 0.00 179.25 180.85 2da6 h GLU 47 N 0.88 0.70 -0.51 0.00 5.08 -0.93 -0.44 114.58 119.34 2da6 h GLU 47 Ca 0.48 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.71 2da6 h GLU 47 Cb 0.58 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2da6 h GLU 47 CO -0.25 0.46 -0.02 0.00 -1.00 0.00 0.00 179.01 178.20 2da6 h LEU 49 N 0.78 -1.08 -0.67 0.00 3.38 -0.86 1.95 115.31 118.81 2da6 h LEU 49 Ca 0.14 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 49 Cb 0.55 0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 2da6 h LEU 49 CO 0.03 -0.75 0.32 0.06 0.09 0.00 0.00 178.44 178.19 2da6 h GLN 50 N -1.32 0.54 0.00 1.13 3.07 -1.16 0.31 115.11 117.68 2da6 h GLN 50 Ca -0.13 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2da6 h GLN 50 Cb 0.98 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.42 2da6 h GLN 50 CO 0.21 0.36 0.00 0.54 0.09 0.00 0.00 178.83 180.03 2da6 n ARG 51 N -4.89 0.84 0.00 0.06 1.74 -0.50 -4.85 116.66 109.06 2da6 n ARG 51 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2da6 n ARG 51 Cb 0.25 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.56 2.82 3.33 -0.13 0.00 0.11 -5.00 105.19 106.88 2da6 n GLY 52 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.83 0.00 -3.84 1.61 0.31 0.64 -4.78 118.33 111.45 2da6 n VAL 53 Ca 0.00 -0.28 -0.37 0.00 -0.01 0.00 0.00 64.34 63.69 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 -2.57 6.44 0.00 4.52 0.15 -1.26 -3.19 113.70 117.79 2da6 s SER 54 Ca 0.66 0.51 0.15 0.00 0.70 0.00 0.00 55.95 57.97 2da6 s SER 54 Cb -0.19 -2.08 0.87 0.00 -1.71 0.00 0.00 66.02 62.91 2da6 s SER 54 CO 0.61 0.38 1.36 -0.81 1.20 0.00 0.00 173.24 175.98 2da6 n PRO 55 N 1.79 0.40 0.00 5.44 -0.04 -1.26 -2.06 135.00 139.27 2da6 n PRO 55 Ca -0.18 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 2da6 n PRO 55 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.09 0.16 -1.66 3.54 7.64 -1.26 -4.25 113.62 116.70 2da6 n SER 56 Ca 0.10 0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.90 2da6 n SER 56 Cb 0.07 1.63 0.18 0.00 -1.01 0.00 0.00 64.21 65.08 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 -2.38 2.10 -0.31 1.43 4.76 -0.87 -4.69 118.16 118.20 2da6 n LYS 57 Ca -0.06 -3.18 0.05 0.00 -2.87 0.00 0.00 58.31 52.25 2da6 n LYS 57 Cb 0.62 -1.99 0.20 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.11 1.27 -1.62 7.82 0.00 -1.74 -1.03 119.26 125.08 2da6 h ALA 58 Ca 0.40 0.04 0.47 0.00 0.00 0.00 0.00 54.91 55.83 2da6 h ALA 58 Cb 2.04 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 2da6 h ALA 58 CO 0.74 0.08 1.34 1.12 0.00 0.00 0.00 179.25 182.53 2da6 h HIS 59 N 0.79 0.00 -0.47 0.00 2.07 -1.94 0.95 115.15 116.56 2da6 h HIS 59 Ca 0.43 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.67 2da6 h HIS 59 Cb 0.46 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.30 2da6 h HIS 59 CO -0.06 0.00 0.36 0.41 -3.07 0.00 0.00 177.93 175.57 2da6 n GLY 60 N -1.85 3.62 0.05 6.13 0.00 -0.39 -4.01 105.19 108.74 2da6 n GLY 60 Ca 0.36 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2da6 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2da6 n LEU 61 N 0.04 0.48 0.00 0.99 4.77 0.33 -5.05 117.00 118.56 2da6 n LEU 61 Ca 0.29 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2da6 n LEU 61 Cb 0.82 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 2da6 n LEU 61 CO 0.33 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2da6 n GLY 62 N 1.28 2.28 0.18 -0.72 0.00 -1.26 -2.65 105.19 104.31 2da6 n GLY 62 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 0.18 0.17 1.61 4.64 -1.96 -2.43 113.55 115.76 2da6 h SER 63 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2da6 h SER 63 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2da6 h SER 63 CO 0.00 0.61 0.00 0.59 -0.87 0.00 0.00 176.83 177.16 2da6 n ASN 64 N -4.00 0.00 -4.76 4.97 4.13 -1.08 -4.75 115.26 109.77 2da6 n ASN 64 Ca -0.02 0.05 -0.41 0.00 1.68 0.00 0.00 54.58 55.88 2da6 n ASN 64 Cb 0.50 -0.24 -0.02 0.00 -1.54 0.00 0.00 39.78 38.48 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 -2.47 4.42 0.00 3.41 2.96 -0.92 -4.95 118.68 121.13 2da6 s LEU 65 Ca 0.11 2.64 -0.08 0.00 -0.22 0.00 0.00 54.13 56.59 2da6 s LEU 65 Cb 0.07 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 2da6 s LEU 65 CO 0.16 -0.57 0.28 -0.69 -1.32 0.00 0.00 176.35 174.21 2da6 s VAL 66 N -0.71 5.27 0.04 1.68 1.01 -1.26 -5.01 120.40 121.42 2da6 s VAL 66 Ca 0.52 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.70 2da6 s VAL 66 Cb -0.40 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2da6 s VAL 66 CO 0.49 0.40 0.14 0.42 0.00 0.00 0.00 175.10 176.56 2da6 s THR 67 N -1.26 0.12 0.27 3.92 -4.23 -1.26 -4.92 115.64 108.28 2da6 s THR 67 Ca 0.26 -0.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.95 2da6 s THR 67 Cb -0.13 -0.86 0.26 0.00 1.34 0.00 0.00 72.50 73.10 2da6 s THR 67 CO 0.15 -0.53 1.16 1.21 -0.54 0.00 0.00 174.62 176.06 2da6 n GLU 68 N 0.79 -0.04 0.15 3.99 2.13 -1.26 0.13 120.64 126.52 2da6 n GLU 68 Ca -0.19 1.02 -0.14 0.00 0.66 0.00 0.00 57.16 58.51 2da6 n GLU 68 Cb 0.58 -1.81 -0.08 0.00 0.27 0.00 0.00 31.44 30.40 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 0.76 -0.77 6.31 2.07 -1.98 -1.31 116.25 121.34 2da6 h VAL 69 Ca 0.61 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 67.83 2da6 h VAL 69 Cb 1.61 1.01 -0.14 0.00 -1.52 0.00 0.00 31.29 32.25 2da6 h VAL 69 CO -0.57 0.10 -0.21 0.03 0.02 0.00 0.00 177.57 176.93 2da6 h ARG 70 N -0.62 -0.02 -0.61 1.57 2.47 0.65 0.26 114.38 118.09 2da6 h ARG 70 Ca -0.04 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 2da6 h ARG 70 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2da6 h ARG 70 CO 0.06 -0.01 -0.01 0.28 0.56 0.00 0.00 179.97 180.85 2da6 h VAL 71 N -0.02 1.27 -0.70 2.04 2.07 -1.44 -2.27 116.25 117.20 2da6 h VAL 71 Ca 0.36 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.77 2da6 h VAL 71 Cb 0.57 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 2da6 h VAL 71 CO -0.79 0.43 0.39 0.22 0.02 0.00 0.00 177.57 177.83 2da6 h TYR 72 N 0.98 0.72 -0.06 1.57 5.03 0.63 -0.56 116.97 125.28 2da6 h TYR 72 Ca 0.17 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 2da6 h TYR 72 Cb 0.58 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.64 2da6 h TYR 72 CO 0.04 0.34 -0.01 -0.91 -1.32 0.00 0.00 178.16 176.29 2da6 h ASN 73 N 0.71 0.11 -0.36 -2.11 2.35 -0.84 -1.24 115.58 114.20 2da6 h ASN 73 Ca 0.32 -0.37 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 2da6 h ASN 73 Cb 0.21 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 2da6 h ASN 73 CO -0.19 0.46 -0.04 -0.25 -1.65 0.00 0.00 177.43 175.75 2da6 h TRP 74 N -0.23 -0.10 -0.60 1.19 7.01 -1.05 -0.96 115.95 121.22 2da6 h TRP 74 Ca 0.01 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 60.98 2da6 h TRP 74 Cb 0.41 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 2da6 h TRP 74 CO 0.05 -0.11 0.10 0.74 -2.79 0.00 0.00 178.44 176.43 2da6 h PHE 75 N 0.05 1.01 -0.46 2.65 -1.00 -1.11 -2.56 116.94 115.52 2da6 h PHE 75 Ca 0.18 -0.12 0.03 0.00 2.81 0.00 0.00 57.97 60.87 2da6 h PHE 75 Cb 0.26 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 2da6 h PHE 75 CO -0.29 0.86 0.25 0.00 -1.61 0.00 0.00 178.31 177.51 2da6 h ALA 76 N 1.20 0.58 -0.26 2.45 0.00 -0.18 -1.81 119.26 121.24 2da6 h ALA 76 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2da6 h ALA 76 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2da6 h ALA 76 CO 0.01 -0.09 -0.09 -0.97 0.00 0.00 0.00 179.25 178.11 2da6 h ASN 77 N 0.49 0.40 0.63 0.00 -0.73 -1.03 0.10 115.58 115.44 2da6 h ASN 77 Ca 0.19 -0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.22 2da6 h ASN 77 Cb 0.07 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 2da6 h ASN 77 CO -0.12 0.53 -0.24 0.03 -0.37 0.00 0.00 177.43 177.26 2da6 h ARG 78 N 0.39 0.00 0.00 6.67 2.47 -0.95 -1.39 114.38 121.58 2da6 h ARG 78 Ca 0.08 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.59 2da6 h ARG 78 Cb 0.40 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 2da6 h ARG 78 CO 0.02 0.24 -1.75 0.54 0.56 0.00 0.00 179.97 179.58 2da6 n ARG 79 N -3.61 0.64 0.09 0.04 1.74 -0.76 -3.62 116.66 111.18 2da6 n ARG 79 Ca -0.01 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.12 2da6 n ARG 79 Cb 0.38 -1.70 -0.02 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 0.08 -0.00 5.56 1.57 -0.61 -3.01 116.57 120.16 2da6 h LYS 80 Ca -0.25 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2da6 h LYS 80 Cb 1.71 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.05 2da6 h LYS 80 CO 0.04 0.91 -0.03 1.05 -0.57 0.00 0.00 179.45 180.85 2da6 h GLU 81 N 0.04 0.03 -0.79 3.15 4.11 -1.42 -1.49 114.58 118.21 2da6 h GLU 81 Ca -0.03 -0.02 0.09 0.00 0.07 0.00 0.00 59.36 59.47 2da6 h GLU 81 Cb 1.53 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.72 2da6 h GLU 81 CO 0.12 0.71 0.44 1.05 0.07 0.00 0.00 179.01 181.41 2da6 h GLU 82 N -0.65 0.73 0.00 1.06 4.11 -1.66 0.33 114.58 118.50 2da6 h GLU 82 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2da6 h GLU 82 Cb 0.72 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2da6 h GLU 82 CO 0.01 0.48 0.00 0.00 0.07 0.00 0.00 179.01 179.57 2da6 h ALA 83 N 1.44 1.00 0.20 1.06 0.00 -1.59 -3.35 119.26 118.03 2da6 h ALA 83 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2da6 h ALA 83 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2da6 h ALA 83 CO -0.24 0.00 -0.26 0.35 0.00 0.00 0.00 179.25 179.10 2da6 h PHE 84 N 0.00 -0.72 -0.61 0.00 3.04 0.19 0.40 116.94 119.24 2da6 h PHE 84 Ca 0.00 0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.14 2da6 h PHE 84 Cb 0.81 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.58 2da6 h PHE 84 CO 0.00 -0.33 1.00 0.00 -2.02 0.00 0.00 178.31 176.97 2da6 h ARG 85 N -0.47 0.00 0.09 1.11 3.08 -1.68 0.87 114.38 117.38 2da6 h ARG 85 Ca -0.02 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.68 2da6 h ARG 85 Cb 0.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2da6 h ARG 85 CO -0.06 0.00 -1.89 1.04 -1.07 0.00 0.00 179.97 177.99 2da6 n GLN 86 N -3.08 0.71 -0.27 0.04 1.13 -0.30 -4.05 117.38 111.57 2da6 n GLN 86 Ca 0.13 0.32 -0.05 0.00 -1.94 0.00 0.00 57.00 55.46 2da6 n GLN 86 Cb 1.19 -1.70 0.06 0.00 0.11 0.00 0.00 30.24 29.90 2da6 n GLN 86 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2da6 h LYS 87 N -0.19 1.02 0.00 -1.09 3.11 0.49 -0.62 116.57 119.30 2da6 h LYS 87 Ca -0.43 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.30 2da6 h LYS 87 Cb 1.86 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.89 2da6 h LYS 87 CO 0.00 0.75 0.00 1.47 -2.81 0.00 0.00 179.45 178.86 2da6 n LEU 88 N -4.47 0.00 -0.10 5.20 -0.00 0.03 -2.30 117.00 115.35 2da6 n LEU 88 Ca 0.06 0.09 -0.12 0.00 -0.00 0.00 0.00 56.01 56.04 2da6 n LEU 88 Cb 0.09 -0.09 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2da6 n LEU 88 CO 0.38 -0.05 -1.17 0.00 -0.00 0.00 0.00 177.39 176.55 2da6 n ALA 89 N -1.09 1.53 -0.15 1.47 0.00 -0.28 -4.47 120.51 117.52 2da6 n ALA 89 Ca 0.09 -1.10 -0.06 0.00 0.00 0.00 0.00 53.44 52.37 2da6 n ALA 89 Cb 0.07 -0.09 0.10 0.00 0.00 0.00 0.00 19.45 19.54 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 0.90 0.00 0.00 2.86 -1.01 -3.43 114.93 114.24 2da6 h MET 90 Ca -0.50 -0.27 -0.24 0.00 -2.06 0.00 0.00 59.70 56.63 2da6 h MET 90 Cb 1.96 -0.09 0.14 0.00 0.06 0.00 0.00 31.60 33.68 2da6 h MET 90 CO -0.02 0.90 -0.12 -3.47 1.06 0.00 0.00 176.91 175.26 2da6 n ASP 91 N -4.19 -3.40 -4.44 1.22 2.03 -1.17 -4.99 116.55 101.61 2da6 n ASP 91 Ca 0.03 -0.58 -0.29 0.00 0.52 0.00 0.00 54.79 54.46 2da6 n ASP 91 Cb 0.33 -0.78 0.15 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.07 2.21 -1.52 -1.67 0.00 -1.26 -4.18 121.76 113.26 2da6 s ALA 92 Ca 0.44 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 2da6 s ALA 92 Cb -0.08 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2da6 s ALA 92 CO 0.37 -2.25 0.08 2.48 0.00 0.00 0.00 175.76 176.44 2da6 n TYR 93 N -3.69 -1.33 -3.20 0.00 4.11 -1.26 -4.93 117.16 106.85 2da6 n TYR 93 Ca 0.12 0.63 -0.20 0.00 -0.00 0.00 0.00 57.90 58.44 2da6 n TYR 93 Cb 0.60 -2.97 0.04 0.00 -0.00 0.00 0.00 39.34 37.00 2da6 n TYR 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 2da6 s SER 94 N -4.38 5.09 1.07 9.48 1.04 -1.26 -5.09 113.70 119.65 2da6 s SER 94 Ca 0.00 -0.86 -0.17 0.00 0.48 0.00 0.00 55.95 55.40 2da6 s SER 94 Cb -0.00 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.39 2da6 s SER 94 CO 0.98 -1.20 0.04 -1.20 0.98 0.00 0.00 173.24 172.84 2da6 n SER 95 N -2.08 -2.74 -3.40 7.02 7.64 -1.26 -4.70 113.62 114.10 2da6 n SER 95 Ca 0.11 -0.25 -0.43 0.00 1.01 0.00 0.00 58.87 59.31 2da6 n SER 95 Cb 0.62 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 2da6 n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2da6 n ASN 96 N -1.19 -0.25 -3.64 6.43 5.15 -1.26 -4.95 115.26 115.54 2da6 n ASN 96 Ca 0.03 0.88 -0.15 0.00 -0.60 0.00 0.00 54.58 54.73 2da6 n ASN 96 Cb 0.51 -0.70 -0.08 0.00 -0.53 0.00 0.00 39.78 38.98 2da6 n ASN 96 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2da6 s SER 97 N -0.20 -0.48 0.37 1.20 0.15 -1.26 -5.14 113.70 108.34 2da6 s SER 97 Ca 0.64 0.60 -0.23 0.00 0.70 0.00 0.00 55.95 57.66 2da6 s SER 97 Cb -0.90 0.60 -0.15 0.00 -1.71 0.00 0.00 66.02 63.87 2da6 s SER 97 CO 0.43 -0.45 0.27 0.61 1.20 0.00 0.00 173.24 175.30 2da6 n GLY 98 N 1.50 -2.28 3.72 9.45 0.00 -1.26 -4.84 105.19 111.47 2da6 n GLY 98 Ca -0.19 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.13 4.35 -0.30 1.61 0.04 -1.26 -5.00 135.00 133.30 2da6 s PRO 99 Ca 0.61 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.52 2da6 s PRO 99 Cb -0.68 -3.25 0.18 0.00 0.04 0.00 0.00 34.50 30.80 2da6 s PRO 99 CO 0.61 -0.38 1.16 0.45 0.04 0.00 0.00 177.00 178.87 2da6 s SER 100 N 0.96 -0.27 0.51 6.66 0.15 -1.26 -5.18 113.70 115.27 2da6 s SER 100 Ca 0.62 0.39 0.07 0.00 0.70 0.00 0.00 55.95 57.74 2da6 s SER 100 Cb -0.36 1.24 0.04 0.00 -1.71 0.00 0.00 66.02 65.23 2da6 s SER 100 CO 0.32 -0.06 0.52 -0.44 1.20 0.00 0.00 173.24 174.78 2da6 s SER 101 N 1.83 4.94 0.00 5.45 0.01 -1.26 -5.22 113.70 119.45 2da6 s SER 101 Ca -0.04 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2da6 s SER 101 Cb -0.03 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2da6 s SER 101 CO -0.15 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.07