#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 5.67 -1.63 1.61 0.15 -1.26 -3.57 113.70 114.67 2da6 s SER 2 Ca 0.00 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 56.90 2da6 s SER 2 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 2da6 s SER 2 CO 0.00 -2.05 0.75 -1.20 1.20 0.00 0.00 173.24 171.94 2da6 n SER 3 N 11.24 -2.99 -3.28 5.45 7.64 -1.26 -4.91 113.62 125.51 2da6 n SER 3 Ca 0.17 -0.98 0.03 0.00 1.01 0.00 0.00 58.87 59.10 2da6 n SER 3 Cb 0.50 -2.96 -0.04 0.00 -1.01 0.00 0.00 64.21 60.70 2da6 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2da6 s GLY 4 N -3.49 -0.03 -0.06 0.23 0.00 -1.23 -4.07 107.32 98.66 2da6 s GLY 4 Ca 0.60 3.24 -0.30 0.00 0.00 0.00 0.00 44.72 48.26 2da6 s GLY 4 CO 0.91 3.38 0.78 -0.45 0.00 0.00 0.00 173.10 177.72 2da6 s SER 5 N 2.38 -0.55 -0.33 1.64 0.15 -1.26 -3.79 113.70 111.94 2da6 s SER 5 Ca -0.01 0.52 -0.28 0.00 0.70 0.00 0.00 55.95 56.88 2da6 s SER 5 Cb -0.05 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 2da6 s SER 5 CO -0.16 -0.56 1.85 -0.55 1.20 0.00 0.00 173.24 175.02 2da6 s SER 6 N -1.38 5.80 0.00 5.45 0.15 -1.26 -4.70 113.70 117.76 2da6 s SER 6 Ca -0.06 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2da6 s SER 6 Cb -0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2da6 s SER 6 CO 0.04 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.31 2da6 n GLY 7 N 5.48 -1.84 3.69 9.45 0.00 -1.26 -5.14 105.19 115.56 2da6 n GLY 7 Ca 0.24 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.62 2da6 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2da6 n ARG 8 N 0.00 2.06 -3.70 1.61 0.63 -1.26 -5.00 116.66 111.00 2da6 n ARG 8 Ca 0.00 0.72 -0.11 0.00 -0.92 0.00 0.00 57.85 57.54 2da6 n ARG 8 Cb 0.00 -2.30 -0.06 0.00 0.45 0.00 0.00 32.46 30.55 2da6 n ARG 8 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2da6 s ASN 9 N -0.25 -0.18 -0.04 6.15 2.20 -1.26 -5.13 114.94 116.43 2da6 s ASN 9 Ca 0.57 -0.22 -0.30 0.00 -0.94 0.00 0.00 52.86 51.98 2da6 s ASN 9 Cb -0.59 0.41 -0.05 0.00 -2.00 0.00 0.00 41.25 39.02 2da6 s ASN 9 CO 0.60 -0.72 1.55 -0.13 -2.94 0.00 0.00 177.10 175.47 2da6 s ARG 10 N -3.04 4.21 0.02 3.55 1.81 -1.26 -5.00 118.95 119.24 2da6 s ARG 10 Ca -0.02 2.10 0.02 0.00 -1.72 0.00 0.00 55.73 56.11 2da6 s ARG 10 Cb 0.01 -3.83 -0.02 0.00 -0.45 0.00 0.00 34.95 30.66 2da6 s ARG 10 CO -0.06 -0.76 -0.07 0.12 -0.68 0.00 0.00 175.30 173.85 2da6 s PHE 11 N 3.47 0.58 -0.03 -0.53 2.19 -1.26 -4.89 117.98 117.51 2da6 s PHE 11 Ca 0.69 -0.34 0.02 0.00 0.33 0.00 0.00 56.93 57.63 2da6 s PHE 11 Cb -0.32 -0.36 0.01 0.00 -1.31 0.00 0.00 43.02 41.04 2da6 s PHE 11 CO 0.27 -0.06 -0.08 0.21 1.83 0.00 0.00 175.22 177.40 2da6 s LYS 12 N -1.01 0.95 1.00 10.12 2.47 -1.26 -5.13 119.74 126.88 2da6 s LYS 12 Ca -0.05 -0.26 -0.12 0.00 -1.56 0.00 0.00 55.97 53.98 2da6 s LYS 12 Cb -0.07 -0.89 0.19 0.00 -1.46 0.00 0.00 37.83 35.60 2da6 s LYS 12 CO 0.00 0.06 1.08 -1.58 0.16 0.00 0.00 175.35 175.07 2da6 s TRP 13 N 0.38 1.90 0.38 4.03 0.52 -1.26 -4.93 118.94 119.97 2da6 s TRP 13 Ca -0.06 1.26 0.04 0.00 0.02 0.00 0.00 56.10 57.35 2da6 s TRP 13 Cb -0.10 -3.18 0.04 0.00 -1.15 0.00 0.00 33.47 29.07 2da6 s TRP 13 CO 0.01 -2.98 0.31 0.41 0.02 0.00 0.00 176.95 174.72 2da6 n GLY 14 N -0.39 2.76 0.22 0.98 0.00 -1.26 -4.94 105.19 102.56 2da6 n GLY 14 Ca 0.06 -2.25 -0.07 0.00 0.00 0.00 0.00 46.02 43.75 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 0.55 0.00 1.61 0.13 -2.00 -2.87 132.00 129.42 2da6 h PRO 15 Ca -0.24 -0.29 -0.18 0.00 -0.87 0.00 0.00 66.00 64.43 2da6 h PRO 15 Cb 0.88 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2da6 h PRO 15 CO 0.37 0.88 -0.96 0.00 -0.23 0.00 0.00 178.00 178.06 2da6 h ALA 16 N 1.08 0.20 -0.12 -0.56 0.00 -1.96 -3.35 119.26 114.56 2da6 h ALA 16 Ca 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 54.91 53.92 2da6 h ALA 16 Cb 0.93 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 2da6 h ALA 16 CO 0.08 0.54 -0.34 0.77 0.00 0.00 0.00 179.25 180.30 2da6 h SER 17 N -1.00 -1.09 -0.93 0.00 0.02 -1.86 -2.20 113.55 106.50 2da6 h SER 17 Ca -0.27 0.13 0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2da6 h SER 17 Cb 1.23 0.43 -0.11 0.00 0.14 0.00 0.00 62.40 64.08 2da6 h SER 17 CO -0.16 -0.29 -0.54 0.00 -1.14 0.00 0.00 176.83 174.70 2da6 n GLN 18 N -4.34 -0.40 -0.27 3.45 6.02 -1.08 0.47 117.38 121.22 2da6 n GLN 18 Ca -0.03 1.40 0.07 0.00 -0.01 0.00 0.00 57.00 58.42 2da6 n GLN 18 Cb 0.23 -2.06 0.18 0.00 1.02 0.00 0.00 30.24 29.60 2da6 n GLN 18 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2da6 h GLN 19 N 0.00 0.09 -0.78 -1.09 1.08 -1.58 0.30 115.11 113.13 2da6 h GLN 19 Ca 0.16 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 2da6 h GLN 19 Cb 0.39 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 2da6 h GLN 19 CO -0.87 0.06 0.43 0.82 -0.95 0.00 0.00 178.83 178.31 2da6 h ILE 20 N 0.09 0.90 -0.73 2.54 2.04 0.61 -1.23 117.51 121.72 2da6 h ILE 20 Ca 0.44 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 66.07 2da6 h ILE 20 Cb 0.80 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2da6 h ILE 20 CO -0.71 0.13 0.47 -0.07 0.00 0.00 0.00 178.15 177.97 2da6 h LEU 21 N 0.73 0.80 -0.15 1.44 3.38 0.32 -2.05 115.31 119.78 2da6 h LEU 21 Ca 0.37 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2da6 h LEU 21 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2da6 h LEU 21 CO -0.25 0.56 0.06 1.88 0.09 0.00 0.00 178.44 180.78 2da6 h TYR 22 N 0.94 0.24 -0.50 1.13 0.05 -0.67 0.31 116.97 118.47 2da6 h TYR 22 Ca 0.28 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 59.15 2da6 h TYR 22 Cb -0.04 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2da6 h TYR 22 CO -0.03 0.32 0.34 1.96 -1.05 0.00 0.00 178.16 179.70 2da6 h GLN 23 N 0.08 0.21 0.18 4.88 1.08 -0.96 0.29 115.11 120.86 2da6 h GLN 23 Ca 0.05 -0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.92 2da6 h GLN 23 Cb 0.19 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2da6 h GLN 23 CO -0.00 0.14 -1.52 0.00 -0.95 0.00 0.00 178.83 176.49 2da6 h ALA 24 N 1.75 0.08 -0.43 3.87 0.00 -0.97 -3.32 119.26 120.24 2da6 h ALA 24 Ca 0.23 -1.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 2da6 h ALA 24 Cb 0.63 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2da6 h ALA 24 CO -0.04 0.85 -0.03 -0.92 0.00 0.00 0.00 179.25 179.10 2da6 h TYR 25 N -0.05 0.76 -0.42 0.00 5.03 0.31 0.07 116.97 122.67 2da6 h TYR 25 Ca -0.30 -0.11 0.02 0.00 2.58 0.00 0.00 58.73 60.92 2da6 h TYR 25 Cb 1.98 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 40.03 2da6 h TYR 25 CO 0.12 0.73 0.28 0.22 -1.32 0.00 0.00 178.16 178.19 2da6 h ASP 26 N 0.67 0.43 0.02 -2.11 1.82 -0.59 -3.03 116.42 113.63 2da6 h ASP 26 Ca 0.13 -0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.60 2da6 h ASP 26 Cb 0.46 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 2da6 h ASP 26 CO 0.02 0.31 -0.85 0.03 -1.61 0.00 0.00 179.24 177.14 2da6 h ARG 27 N 0.51 0.04 -4.39 0.28 3.08 -1.55 -3.46 114.38 108.89 2da6 h ARG 27 Ca 0.16 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 59.60 2da6 h ARG 27 Cb 0.03 0.03 -0.36 0.00 0.08 0.00 0.00 29.97 29.75 2da6 h ARG 27 CO -0.04 1.04 -0.81 -1.14 -1.07 0.00 0.00 179.97 177.95 2da6 s GLN 28 N -2.33 1.69 0.22 0.04 2.00 -0.03 -5.01 119.66 116.24 2da6 s GLN 28 Ca -0.24 -0.35 0.09 0.00 -2.00 0.00 0.00 55.36 52.87 2da6 s GLN 28 Cb 0.03 -1.60 0.15 0.00 0.80 0.00 0.00 33.01 32.38 2da6 s GLN 28 CO 0.66 -0.17 1.49 0.87 -0.50 0.00 0.00 175.29 177.64 2da6 h LYS 29 N 7.76 0.00 -3.03 1.67 1.79 -1.83 -3.34 116.57 119.60 2da6 h LYS 29 Ca -0.31 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.54 2da6 h LYS 29 Cb 1.15 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.39 2da6 h LYS 29 CO 0.44 0.76 -0.66 0.54 -1.08 0.00 0.00 179.45 179.45 2da6 s ASN 30 N -6.79 4.10 0.17 0.86 2.20 -1.26 -4.98 114.94 109.24 2da6 s ASN 30 Ca -0.00 -3.41 -0.30 0.00 -0.94 0.00 0.00 52.86 48.20 2da6 s ASN 30 Cb 0.12 -1.39 -0.08 0.00 -2.00 0.00 0.00 41.25 37.90 2da6 s ASN 30 CO 0.78 -0.15 1.32 -2.16 -2.94 0.00 0.00 177.10 173.95 2da6 s PRO 31 N -0.77 4.38 0.57 3.55 0.04 -1.26 -5.02 135.00 136.48 2da6 s PRO 31 Ca 0.23 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 2da6 s PRO 31 Cb -0.10 -3.22 0.12 0.00 0.04 0.00 0.00 34.50 31.34 2da6 s PRO 31 CO -0.11 -0.30 0.79 0.43 0.04 0.00 0.00 177.00 177.85 2da6 n SER 32 N 3.02 0.98 -0.53 6.66 7.64 -1.26 -4.30 113.62 125.84 2da6 n SER 32 Ca 0.08 -1.85 0.43 0.00 1.01 0.00 0.00 58.87 58.54 2da6 n SER 32 Cb 0.43 -0.52 0.74 0.00 -1.01 0.00 0.00 64.21 63.85 2da6 n SER 32 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2da6 h LYS 33 N 0.00 0.04 0.00 1.43 1.63 -1.98 0.40 116.57 118.09 2da6 h LYS 33 Ca -0.26 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2da6 h LYS 33 Cb 0.94 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2da6 h LYS 33 CO 0.27 0.03 -0.00 0.93 -3.45 0.00 0.00 179.45 177.23 2da6 h GLU 34 N 0.04 0.00 0.88 1.90 5.08 -1.99 -2.88 114.58 117.61 2da6 h GLU 34 Ca 0.81 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 59.13 2da6 h GLU 34 Cb 2.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.24 2da6 h GLU 34 CO -0.15 0.61 -0.48 0.93 -1.00 0.00 0.00 179.01 178.91 2da6 h GLU 35 N -1.00 -1.21 -0.32 2.33 4.39 -1.08 -1.77 114.58 115.93 2da6 h GLU 35 Ca -0.00 0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.85 2da6 h GLU 35 Cb 0.61 0.27 -0.08 0.00 -0.10 0.00 0.00 28.75 29.46 2da6 h GLU 35 CO -0.00 -0.81 -0.24 0.00 -1.16 0.00 0.00 179.01 176.81 2da6 h ARG 36 N -1.25 -0.20 -0.43 2.33 3.08 -0.54 -2.04 114.38 115.32 2da6 h ARG 36 Ca -0.12 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.03 2da6 h ARG 36 Cb 0.98 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.98 2da6 h ARG 36 CO 0.16 -0.13 -0.30 0.93 -1.07 0.00 0.00 179.97 179.56 2da6 h GLU 37 N -0.21 -0.20 0.00 0.04 4.39 -1.44 0.54 114.58 117.70 2da6 h GLU 37 Ca 0.16 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2da6 h GLU 37 Cb 0.46 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2da6 h GLU 37 CO -0.44 -0.14 0.63 0.00 -1.16 0.00 0.00 179.01 177.91 2da6 h ALA 38 N 0.89 1.63 0.00 3.43 0.00 -0.56 1.27 119.26 125.91 2da6 h ALA 38 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 2da6 h ALA 38 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2da6 h ALA 38 CO -0.55 -0.63 -1.90 1.28 0.00 0.00 0.00 179.25 177.45 2da6 n LEU 39 N -2.70 0.47 -0.12 0.00 4.77 0.18 -2.95 117.00 116.66 2da6 n LEU 39 Ca -0.01 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 2da6 n LEU 39 Cb 0.66 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 2da6 n LEU 39 CO 0.07 0.32 0.61 0.58 -1.33 0.00 0.00 177.39 177.64 2da6 h VAL 40 N 0.00 1.28 0.11 4.08 2.07 0.24 -1.52 116.25 122.52 2da6 h VAL 40 Ca -0.32 -1.41 -0.17 0.00 0.82 0.00 0.00 66.70 65.62 2da6 h VAL 40 Cb 1.87 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 33.05 2da6 h VAL 40 CO 0.04 0.46 -0.80 1.05 0.02 0.00 0.00 177.57 178.35 2da6 h GLU 41 N 0.61 0.24 -0.34 1.57 4.11 -1.56 -3.05 114.58 116.16 2da6 h GLU 41 Ca 0.07 -0.41 0.04 0.00 0.07 0.00 0.00 59.36 59.13 2da6 h GLU 41 Cb 0.82 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2da6 h GLU 41 CO 0.07 1.20 0.11 1.49 0.07 0.00 0.00 179.01 181.95 2da6 h GLU 42 N -0.47 0.24 0.35 1.06 4.57 -1.61 -0.60 114.58 118.12 2da6 h GLU 42 Ca -0.15 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 2da6 h GLU 42 Cb 1.56 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.10 2da6 h GLU 42 CO 0.11 0.16 -0.17 0.00 -1.18 0.00 0.00 179.01 177.93 2da6 h ASN 44 N -0.48 0.22 0.52 0.00 2.35 -1.52 0.13 115.58 116.79 2da6 h ASN 44 Ca -0.05 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2da6 h ASN 44 Cb 0.36 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.78 2da6 h ASN 44 CO 0.08 -0.03 -0.25 -0.09 -1.65 0.00 0.00 177.43 175.49 2da6 h ARG 45 N 0.15 -0.67 -0.64 0.81 2.43 -0.84 -2.72 114.38 112.89 2da6 h ARG 45 Ca 0.70 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 60.01 2da6 h ARG 45 Cb 2.29 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 31.95 2da6 h ARG 45 CO -0.23 -0.39 0.43 0.00 -1.51 0.00 0.00 179.97 178.26 2da6 h ALA 46 N -0.98 1.94 -0.69 2.80 0.00 0.47 -1.30 119.26 121.50 2da6 h ALA 46 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2da6 h ALA 46 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2da6 h ALA 46 CO 0.12 -0.08 0.37 0.93 0.00 0.00 0.00 179.25 180.59 2da6 h GLU 47 N 0.50 0.97 -0.52 0.00 5.08 -0.81 -1.19 114.58 118.61 2da6 h GLU 47 Ca 0.29 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2da6 h GLU 47 Cb 0.49 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2da6 h GLU 47 CO -0.09 0.74 -0.14 0.00 -1.00 0.00 0.00 179.01 178.52 2da6 h LEU 49 N 0.89 -0.98 -0.85 0.00 3.38 -1.09 1.94 115.31 118.61 2da6 h LEU 49 Ca 0.13 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.24 2da6 h LEU 49 Cb 0.71 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 2da6 h LEU 49 CO 0.05 -0.63 0.49 0.06 0.09 0.00 0.00 178.44 178.50 2da6 h GLN 50 N -1.29 0.78 -0.01 1.13 3.07 -1.28 0.35 115.11 117.86 2da6 h GLN 50 Ca -0.12 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2da6 h GLN 50 Cb 0.88 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2da6 h GLN 50 CO 0.19 0.52 0.00 0.54 0.09 0.00 0.00 178.83 180.17 2da6 n ARG 51 N -4.74 1.05 0.00 0.06 1.74 -0.56 -4.87 116.66 109.34 2da6 n ARG 51 Ca 0.15 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2da6 n ARG 51 Cb 0.30 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.78 2.71 3.32 -0.13 0.00 0.12 -4.99 105.19 107.00 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 -0.61 0.00 -3.74 1.61 0.31 0.64 -4.76 118.33 111.77 2da6 n VAL 53 Ca 0.00 -0.33 -0.37 0.00 -0.01 0.00 0.00 64.34 63.63 2da6 n VAL 53 Cb 0.00 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 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 -2.28 6.54 0.00 4.52 0.15 -1.26 -3.23 113.70 118.14 2da6 s SER 54 Ca 0.62 0.64 0.16 0.00 0.70 0.00 0.00 55.95 58.07 2da6 s SER 54 Cb -0.18 -2.13 0.90 0.00 -1.71 0.00 0.00 66.02 62.91 2da6 s SER 54 CO 0.62 0.37 1.36 -0.81 1.20 0.00 0.00 173.24 175.98 2da6 n PRO 55 N 1.84 0.44 -0.17 5.44 -0.04 -1.26 -1.85 135.00 139.40 2da6 n PRO 55 Ca -0.17 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2da6 n PRO 55 Cb 0.54 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.05 2.99 -0.83 3.54 2.88 -1.26 -4.37 113.62 115.52 2da6 n SER 56 Ca 0.11 -1.89 0.04 0.00 -1.33 0.00 0.00 58.87 55.80 2da6 n SER 56 Cb 0.07 -0.22 0.06 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.94 0.45 -0.22 -1.46 4.76 -0.77 -4.85 118.16 117.00 2da6 n LYS 57 Ca 0.14 -1.99 0.26 0.00 -2.87 0.00 0.00 58.31 53.85 2da6 n LYS 57 Cb 0.47 -0.64 0.65 0.00 -1.84 0.00 0.00 35.03 33.67 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 0.55 2.65 -0.67 7.82 0.00 -1.76 -0.12 119.26 127.73 2da6 h ALA 58 Ca -0.09 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.01 2da6 h ALA 58 Cb 1.46 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2da6 h ALA 58 CO 0.04 -0.94 0.95 1.12 0.00 0.00 0.00 179.25 180.42 2da6 h HIS 59 N 0.14 0.00 -0.08 0.00 2.07 -1.93 0.93 115.15 116.28 2da6 h HIS 59 Ca 0.47 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.76 2da6 h HIS 59 Cb 1.61 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.60 2da6 h HIS 59 CO -0.00 0.00 -0.87 0.78 -3.07 0.00 0.00 177.93 174.77 2da6 h GLY 60 N 0.00 0.72 -0.99 6.13 0.00 -1.43 -3.25 103.07 104.25 2da6 h GLY 60 Ca 0.32 -1.11 0.35 0.00 0.00 0.00 0.00 47.33 46.88 2da6 h GLY 60 CO -0.00 0.99 0.63 1.04 0.00 0.00 0.00 176.54 179.19 2da6 n LEU 61 N -3.87 0.16 0.00 3.11 4.77 0.32 -4.66 117.00 116.84 2da6 n LEU 61 Ca -0.08 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 2da6 n LEU 61 Cb 0.79 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2da6 n LEU 61 CO 0.53 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 2da6 n GLY 62 N -1.37 1.28 0.31 -0.72 0.00 -1.23 -0.19 105.19 103.27 2da6 n GLY 62 Ca 0.29 0.53 0.21 0.00 0.00 0.00 0.00 46.02 47.05 2da6 n GLY 62 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2da6 h SER 63 N 0.00 0.00 -0.55 1.61 0.02 -1.91 0.48 113.55 113.19 2da6 h SER 63 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2da6 h SER 63 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2da6 h SER 63 CO 0.00 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.28 2da6 n ASN 64 N -3.02 3.97 -4.75 3.07 4.13 0.73 -4.42 115.26 114.97 2da6 n ASN 64 Ca -0.02 -2.26 -0.40 0.00 1.68 0.00 0.00 54.58 53.58 2da6 n ASN 64 Cb 0.11 -0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.84 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 -1.48 4.49 0.06 3.41 2.96 0.16 -4.88 118.68 123.39 2da6 s LEU 65 Ca 0.42 1.49 -0.09 0.00 -0.22 0.00 0.00 54.13 55.73 2da6 s LEU 65 Cb 0.25 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.65 2da6 s LEU 65 CO 0.23 0.07 0.37 -0.69 -1.32 0.00 0.00 176.35 175.02 2da6 s VAL 66 N -0.36 5.13 0.07 1.68 1.01 -1.26 -4.93 120.40 121.74 2da6 s VAL 66 Ca 0.38 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2da6 s VAL 66 Cb -0.21 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2da6 s VAL 66 CO 0.24 0.32 0.21 0.42 0.00 0.00 0.00 175.10 176.28 2da6 s THR 67 N -1.37 0.12 0.24 3.92 -4.23 -1.26 -4.91 115.64 108.16 2da6 s THR 67 Ca 0.32 -1.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 2da6 s THR 67 Cb -0.14 -1.13 0.27 0.00 1.34 0.00 0.00 72.50 72.84 2da6 s THR 67 CO 0.17 -0.55 1.11 1.21 -0.54 0.00 0.00 174.62 176.03 2da6 n GLU 68 N 0.27 -0.05 0.41 3.99 2.13 -1.26 0.76 120.64 126.90 2da6 n GLU 68 Ca -0.17 1.02 -0.19 0.00 0.66 0.00 0.00 57.16 58.49 2da6 n GLU 68 Cb 0.61 -1.72 -0.09 0.00 0.27 0.00 0.00 31.44 30.51 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 0.24 -0.89 6.31 2.07 -1.96 -0.55 116.25 121.47 2da6 h VAL 69 Ca 0.51 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 68.16 2da6 h VAL 69 Cb 1.22 0.24 -0.16 0.00 -1.52 0.00 0.00 31.29 31.07 2da6 h VAL 69 CO -0.61 0.00 -0.30 0.03 0.02 0.00 0.00 177.57 176.72 2da6 h ARG 70 N -1.05 -0.02 -0.51 1.57 2.47 -0.05 0.66 114.38 117.45 2da6 h ARG 70 Ca -0.11 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 2da6 h ARG 70 Cb 0.79 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 2da6 h ARG 70 CO 0.17 -0.02 0.02 0.28 0.56 0.00 0.00 179.97 180.99 2da6 h VAL 71 N -0.02 1.24 -0.67 2.04 2.07 -1.36 -1.78 116.25 117.77 2da6 h VAL 71 Ca 0.38 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2da6 h VAL 71 Cb 0.62 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2da6 h VAL 71 CO -0.92 0.36 0.29 0.22 0.02 0.00 0.00 177.57 177.55 2da6 h TYR 72 N 0.79 0.97 -0.01 1.57 5.03 0.19 -1.35 116.97 124.16 2da6 h TYR 72 Ca 0.16 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 2da6 h TYR 72 Cb 0.44 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.42 2da6 h TYR 72 CO 0.02 0.72 -0.02 -0.91 -1.32 0.00 0.00 178.16 176.65 2da6 h ASN 73 N 0.96 0.04 -0.30 -2.11 2.35 -0.37 -2.14 115.58 114.00 2da6 h ASN 73 Ca 0.23 -0.60 0.06 0.00 -0.55 0.00 0.00 56.30 55.44 2da6 h ASN 73 Cb 0.14 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 2da6 h ASN 73 CO -0.03 0.63 -0.05 -0.25 -1.65 0.00 0.00 177.43 176.09 2da6 h TRP 74 N -0.55 -0.11 -0.44 1.19 7.01 -1.21 -0.23 115.95 121.62 2da6 h TRP 74 Ca -0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2da6 h TRP 74 Cb 0.62 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.75 2da6 h TRP 74 CO 0.13 -0.10 0.12 0.74 -2.79 0.00 0.00 178.44 176.54 2da6 h PHE 75 N 0.03 0.66 -0.55 2.65 -1.00 -1.32 -0.86 116.94 116.55 2da6 h PHE 75 Ca 0.14 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.81 2da6 h PHE 75 Cb 0.21 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 2da6 h PHE 75 CO -0.26 0.56 0.10 0.00 -1.61 0.00 0.00 178.31 177.09 2da6 h ALA 76 N 1.50 0.74 -0.18 2.45 0.00 -0.56 -2.36 119.26 120.85 2da6 h ALA 76 Ca 0.15 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2da6 h ALA 76 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2da6 h ALA 76 CO -0.01 0.48 -0.59 -0.97 0.00 0.00 0.00 179.25 178.16 2da6 h ASN 77 N 0.81 0.67 0.41 0.00 -0.73 -0.71 -1.33 115.58 114.70 2da6 h ASN 77 Ca 0.17 -0.37 -0.02 0.00 1.87 0.00 0.00 56.30 57.94 2da6 h ASN 77 Cb 0.40 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.80 2da6 h ASN 77 CO 0.01 1.11 -0.10 0.03 -0.37 0.00 0.00 177.43 178.11 2da6 h ARG 78 N 0.45 0.00 0.00 6.67 2.47 -1.01 -0.40 114.38 122.55 2da6 h ARG 78 Ca -0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 2da6 h ARG 78 Cb 1.15 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.43 2da6 h ARG 78 CO 0.11 0.10 -1.74 0.54 0.56 0.00 0.00 179.97 179.54 2da6 n ARG 79 N -3.54 0.64 0.09 0.04 1.74 -0.90 -3.48 116.66 111.25 2da6 n ARG 79 Ca -0.02 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2da6 n ARG 79 Cb 0.23 -1.70 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 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 0.32 0.02 5.56 1.57 -0.73 -3.03 116.57 120.28 2da6 h LYS 80 Ca -0.24 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2da6 h LYS 80 Cb 1.71 0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.16 2da6 h LYS 80 CO 0.04 1.14 -0.01 1.05 -0.57 0.00 0.00 179.45 181.10 2da6 h GLU 81 N 0.14 -0.02 -0.77 3.15 4.11 -1.26 -1.60 114.58 118.34 2da6 h GLU 81 Ca -0.10 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.45 2da6 h GLU 81 Cb 1.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.95 2da6 h GLU 81 CO 0.18 0.59 0.51 1.05 0.07 0.00 0.00 179.01 181.40 2da6 h GLU 82 N -0.66 0.56 0.00 1.06 4.11 -1.68 0.20 114.58 118.18 2da6 h GLU 82 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2da6 h GLU 82 Cb 0.62 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2da6 h GLU 82 CO 0.00 0.37 -0.28 0.00 0.07 0.00 0.00 179.01 179.17 2da6 h ALA 83 N 1.63 0.82 0.32 1.06 0.00 -1.54 -3.37 119.26 118.18 2da6 h ALA 83 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2da6 h ALA 83 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2da6 h ALA 83 CO -0.14 0.00 -0.26 0.35 0.00 0.00 0.00 179.25 179.21 2da6 h PHE 84 N 0.00 -0.70 -0.83 0.00 3.04 0.45 0.64 116.94 119.55 2da6 h PHE 84 Ca 0.00 0.00 0.24 0.00 3.98 0.00 0.00 57.97 62.19 2da6 h PHE 84 Cb 0.78 0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 2da6 h PHE 84 CO 0.00 -0.36 1.10 0.00 -2.02 0.00 0.00 178.31 177.03 2da6 h ARG 85 N -0.56 0.00 0.02 1.11 3.08 -1.72 1.68 114.38 117.99 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 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 2da6 h ARG 85 CO 0.00 0.00 -2.12 1.04 -1.07 0.00 0.00 179.97 177.82 2da6 n GLN 86 N -3.20 0.68 -0.04 0.04 6.02 -0.60 -4.10 117.38 116.18 2da6 n GLN 86 Ca 0.18 0.16 -0.07 0.00 -0.01 0.00 0.00 57.00 57.26 2da6 n GLN 86 Cb 1.35 -1.64 0.10 0.00 1.02 0.00 0.00 30.24 31.07 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 0.01 0.66 0.00 -1.09 3.11 0.82 -2.37 116.57 117.71 2da6 h LYS 87 Ca -0.45 -0.30 0.00 0.00 -2.81 0.00 0.00 60.65 57.09 2da6 h LYS 87 Cb 2.08 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.30 2da6 h LYS 87 CO 0.04 0.89 0.00 1.47 -2.81 0.00 0.00 179.45 179.04 2da6 n LEU 88 N -4.07 0.00 -0.01 5.20 -0.00 0.32 -2.49 117.00 115.95 2da6 n LEU 88 Ca -0.01 0.38 -0.02 0.00 -0.00 0.00 0.00 56.01 56.36 2da6 n LEU 88 Cb 0.48 -0.38 -0.12 0.00 -0.00 0.00 0.00 43.42 43.40 2da6 n LEU 88 CO 0.45 -0.14 -0.59 0.00 -0.00 0.00 0.00 177.39 177.11 2da6 n ALA 89 N -1.38 1.90 0.29 1.47 0.00 -0.91 -4.06 120.51 117.82 2da6 n ALA 89 Ca 0.07 -0.75 0.15 0.00 0.00 0.00 0.00 53.44 52.91 2da6 n ALA 89 Cb 0.18 -0.73 0.85 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 -7.00 0.00 2.86 -1.34 -3.41 114.93 106.05 2da6 h MET 90 Ca -0.25 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.02 2da6 h MET 90 Cb 1.71 0.00 0.22 0.00 0.06 0.00 0.00 31.60 33.59 2da6 h MET 90 CO 0.04 0.06 -0.14 0.34 1.06 0.00 0.00 176.91 178.26 2da6 s ASP 91 N -5.98 -1.39 1.19 1.22 -1.08 -1.25 -4.21 116.67 105.16 2da6 s ASP 91 Ca -0.04 0.82 -0.19 0.00 -0.52 0.00 0.00 52.55 52.62 2da6 s ASP 91 Cb 0.13 -1.14 0.28 0.00 -1.46 0.00 0.00 42.92 40.74 2da6 s ASP 91 CO 0.55 -5.56 1.11 0.00 0.52 0.00 0.00 175.17 171.78 2da6 s ALA 92 N -2.21 0.60 -1.55 3.66 0.00 -1.13 -4.01 121.76 117.11 2da6 s ALA 92 Ca 0.68 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 2da6 s ALA 92 Cb -0.12 -2.90 0.08 0.00 0.00 0.00 0.00 23.12 20.18 2da6 s ALA 92 CO 0.57 -3.57 0.68 0.66 0.00 0.00 0.00 175.76 174.10 2da6 n TYR 93 N -4.74 -1.81 -4.17 0.00 4.01 -1.26 -4.94 117.16 104.25 2da6 n TYR 93 Ca 0.13 0.80 -0.11 0.00 -0.16 0.00 0.00 57.90 58.55 2da6 n TYR 93 Cb 0.59 -3.49 -0.05 0.00 -0.31 0.00 0.00 39.34 36.09 2da6 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2da6 n SER 94 N -2.83 -0.41 -2.01 7.72 2.88 -1.26 -5.03 113.62 112.68 2da6 n SER 94 Ca -0.09 -2.29 -0.16 0.00 -1.33 0.00 0.00 58.87 55.00 2da6 n SER 94 Cb 0.58 0.98 -0.04 0.00 -0.75 0.00 0.00 64.21 64.99 2da6 n SER 94 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2da6 n SER 95 N -2.22 6.03 -3.62 -3.46 3.41 -1.26 -4.80 113.62 107.69 2da6 n SER 95 Ca 0.05 -2.87 -0.05 0.00 -0.26 0.00 0.00 58.87 55.73 2da6 n SER 95 Cb 0.36 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.07 2da6 n SER 95 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2da6 s ASN 96 N 0.91 -0.18 0.58 4.04 2.20 -1.26 -5.08 114.94 116.15 2da6 s ASN 96 Ca 0.40 0.22 -0.20 0.00 -0.94 0.00 0.00 52.86 52.34 2da6 s ASN 96 Cb 0.25 0.18 -0.04 0.00 -2.00 0.00 0.00 41.25 39.64 2da6 s ASN 96 CO -0.06 -0.15 1.31 -0.44 -2.94 0.00 0.00 177.10 174.82 2da6 s SER 97 N -0.89 5.11 0.00 3.54 0.01 -1.26 -4.79 113.70 115.42 2da6 s SER 97 Ca 0.05 2.65 0.00 0.00 1.31 0.00 0.00 55.95 59.95 2da6 s SER 97 Cb -0.01 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2da6 s SER 97 CO -0.05 -1.67 0.00 0.61 0.41 0.00 0.00 173.24 172.54 2da6 n GLY 98 N 0.73 1.77 3.77 3.44 0.00 -1.26 -4.81 105.19 108.83 2da6 n GLY 98 Ca 0.12 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 2.27 0.57 1.61 0.04 -1.26 -4.34 135.00 131.89 2da6 s PRO 99 Ca 0.00 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 2da6 s PRO 99 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2da6 s PRO 99 CO 0.00 -1.63 0.96 0.45 0.04 0.00 0.00 177.00 176.81 2da6 s SER 100 N -3.36 6.27 -0.26 6.66 0.15 -1.26 -2.86 113.70 119.05 2da6 s SER 100 Ca 0.61 1.30 -0.27 0.00 0.70 0.00 0.00 55.95 58.29 2da6 s SER 100 Cb -0.17 -2.41 0.16 0.00 -1.71 0.00 0.00 66.02 61.89 2da6 s SER 100 CO 0.55 -0.76 1.23 -0.94 1.20 0.00 0.00 173.24 174.52 2da6 s SER 101 N -4.06 -0.21 0.00 5.45 1.04 -1.26 -4.97 113.70 109.69 2da6 s SER 101 Ca 0.53 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2da6 s SER 101 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2da6 s SER 101 CO 0.50 -0.13 0.04 0.61 0.98 0.00 0.00 173.24 175.24