#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 5.07 -0.53 1.61 0.15 -1.26 -5.03 113.70 113.72 2da6 s SER 2 Ca 0.00 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2da6 s SER 2 Cb 0.00 -1.33 0.44 0.00 -1.71 0.00 0.00 66.02 63.42 2da6 s SER 2 CO 0.00 0.31 1.63 -1.54 1.20 0.00 0.00 173.24 174.84 2da6 n SER 3 N 1.63 6.37 -0.23 5.45 3.41 -1.26 -5.07 113.62 123.92 2da6 n SER 3 Ca -0.16 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 2da6 n SER 3 Cb 0.53 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -0.76 0.26 3.76 5.00 0.00 -1.26 -4.64 105.19 107.55 2da6 n GLY 4 Ca 0.53 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.00 5.76 -0.42 1.61 0.15 -1.26 -4.98 113.70 110.56 2da6 s SER 5 Ca 0.00 2.93 -0.08 0.00 0.70 0.00 0.00 55.95 59.51 2da6 s SER 5 Cb 0.00 -2.65 0.09 0.00 -1.71 0.00 0.00 66.02 61.75 2da6 s SER 5 CO 0.00 -1.26 0.26 -0.94 1.20 0.00 0.00 173.24 172.50 2da6 s SER 6 N -0.53 5.54 0.00 5.45 1.04 -1.26 -5.04 113.70 118.90 2da6 s SER 6 Ca 0.63 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2da6 s SER 6 Cb -0.44 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2da6 s SER 6 CO 0.56 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2da6 n GLY 7 N 4.84 1.41 3.19 7.32 0.00 -1.26 -4.76 105.19 115.93 2da6 n GLY 7 Ca -0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 1.12 0.22 1.61 0.52 -1.26 -4.97 118.95 116.19 2da6 s ARG 8 Ca 0.00 -1.56 -0.18 0.00 -0.52 0.00 0.00 55.73 53.47 2da6 s ARG 8 Cb 0.00 0.27 0.22 0.00 0.52 0.00 0.00 34.95 35.96 2da6 s ARG 8 CO 0.00 -0.35 1.56 -0.97 0.02 0.00 0.00 175.30 175.56 2da6 h ASN 9 N 2.69 -1.31 -2.98 0.23 -0.73 -1.99 -3.39 115.58 108.10 2da6 h ASN 9 Ca -0.35 0.28 -0.63 0.00 1.87 0.00 0.00 56.30 57.47 2da6 h ASN 9 Cb 1.23 0.69 -0.06 0.00 0.27 0.00 0.00 38.32 40.45 2da6 h ASN 9 CO 0.54 -0.29 -0.53 0.00 -0.37 0.00 0.00 177.43 176.78 2da6 s ARG 10 N -5.99 3.27 -0.30 6.67 3.03 -1.26 -5.09 118.95 119.28 2da6 s ARG 10 Ca -0.14 -0.48 -0.13 0.00 2.03 0.00 0.00 55.73 57.00 2da6 s ARG 10 Cb 0.19 -2.96 0.18 0.00 -1.03 0.00 0.00 34.95 31.33 2da6 s ARG 10 CO 0.71 0.62 1.07 0.12 -1.13 0.00 0.00 175.30 176.68 2da6 s PHE 11 N -1.41 -0.49 -0.21 5.89 5.36 -1.26 -5.00 117.98 120.85 2da6 s PHE 11 Ca 0.31 0.50 -0.20 0.00 -0.96 0.00 0.00 56.93 56.59 2da6 s PHE 11 Cb -0.13 0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.69 2da6 s PHE 11 CO 0.23 -0.27 0.59 0.21 -1.46 0.00 0.00 175.22 174.52 2da6 s LYS 12 N 2.96 4.17 1.30 10.12 2.47 -1.26 -5.06 119.74 134.44 2da6 s LYS 12 Ca -0.00 0.52 -0.18 0.00 -1.56 0.00 0.00 55.97 54.74 2da6 s LYS 12 Cb -0.10 -3.59 0.31 0.00 -1.46 0.00 0.00 37.83 32.99 2da6 s LYS 12 CO -0.11 -0.25 0.81 0.91 0.16 0.00 0.00 175.35 176.86 2da6 n TRP 13 N 5.13 -2.47 -3.62 4.03 7.02 -1.26 -5.04 117.44 121.24 2da6 n TRP 13 Ca -0.02 -0.41 -0.07 0.00 -1.02 0.00 0.00 57.50 55.98 2da6 n TRP 13 Cb 0.50 -1.51 -0.00 0.00 -2.42 0.00 0.00 31.31 27.88 2da6 n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2da6 n GLY 14 N 1.61 3.02 0.20 6.99 0.00 -1.26 -4.93 105.19 110.83 2da6 n GLY 14 Ca 0.07 -2.20 -0.13 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 0.66 0.04 1.61 0.13 -2.00 -2.74 132.00 129.70 2da6 h PRO 15 Ca -0.09 -0.35 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2da6 h PRO 15 Cb 0.32 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 2da6 h PRO 15 CO 0.14 0.95 -0.52 0.00 -0.23 0.00 0.00 178.00 178.34 2da6 h ALA 16 N 0.69 0.05 0.02 -0.56 0.00 -1.96 -3.29 119.26 114.20 2da6 h ALA 16 Ca 0.04 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 54.24 2da6 h ALA 16 Cb 0.83 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2da6 h ALA 16 CO 0.07 0.28 -0.35 0.66 0.00 0.00 0.00 179.25 179.91 2da6 h SER 17 N -0.80 -1.06 -0.72 0.00 4.64 -1.85 -1.89 113.55 111.87 2da6 h SER 17 Ca -0.12 0.12 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2da6 h SER 17 Cb 1.26 0.40 -0.10 0.00 -0.31 0.00 0.00 62.40 63.65 2da6 h SER 17 CO 0.00 -0.34 -0.54 1.56 -0.87 0.00 0.00 176.83 176.63 2da6 h GLN 18 N -0.45 -0.14 -0.88 4.77 4.20 -1.67 0.22 115.11 121.16 2da6 h GLN 18 Ca 0.00 0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.95 2da6 h GLN 18 Cb 0.47 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.13 2da6 h GLN 18 CO -0.22 -0.09 0.07 1.96 -0.67 0.00 0.00 178.83 179.88 2da6 h GLN 19 N -0.15 0.09 -0.82 1.46 1.08 -1.57 0.52 115.11 115.72 2da6 h GLN 19 Ca 0.12 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 2da6 h GLN 19 Cb 0.45 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 2da6 h GLN 19 CO -0.76 0.06 0.49 0.82 -0.95 0.00 0.00 178.83 178.49 2da6 h ILE 20 N 0.09 1.00 -0.82 2.54 2.04 0.23 -1.52 117.51 121.07 2da6 h ILE 20 Ca 0.52 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2da6 h ILE 20 Cb 1.02 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2da6 h ILE 20 CO -0.77 0.16 0.54 -0.07 0.00 0.00 0.00 178.15 178.02 2da6 h LEU 21 N 0.89 0.94 -0.16 1.44 3.38 0.73 -2.21 115.31 120.31 2da6 h LEU 21 Ca 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2da6 h LEU 21 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2da6 h LEU 21 CO -0.19 0.67 0.06 1.88 0.09 0.00 0.00 178.44 180.95 2da6 h TYR 22 N 1.10 0.26 -0.58 1.13 0.05 -0.70 0.11 116.97 118.34 2da6 h TYR 22 Ca 0.31 -0.02 0.11 0.00 0.05 0.00 0.00 58.73 59.17 2da6 h TYR 22 Cb -0.11 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 2da6 h TYR 22 CO -0.02 0.35 0.39 1.96 -1.05 0.00 0.00 178.16 179.80 2da6 h GLN 23 N 0.09 0.31 0.00 4.88 1.08 -1.02 0.15 115.11 120.60 2da6 h GLN 23 Ca 0.05 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2da6 h GLN 23 Cb 0.21 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2da6 h GLN 23 CO -0.00 0.20 -0.03 0.00 -0.95 0.00 0.00 178.83 178.05 2da6 h ALA 24 N 1.71 0.01 -0.76 3.87 0.00 -1.04 -3.31 119.26 119.73 2da6 h ALA 24 Ca 0.27 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2da6 h ALA 24 Cb 0.64 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2da6 h ALA 24 CO -0.06 0.02 0.50 -0.92 0.00 0.00 0.00 179.25 178.79 2da6 h TYR 25 N -1.00 0.71 -0.39 0.00 5.03 -0.46 0.23 116.97 121.08 2da6 h TYR 25 Ca -0.01 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.38 2da6 h TYR 25 Cb 0.76 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.79 2da6 h TYR 25 CO 0.20 0.33 0.27 0.22 -1.32 0.00 0.00 178.16 177.86 2da6 h ASP 26 N 0.66 0.27 0.05 -2.11 1.82 -0.83 -2.75 116.42 113.53 2da6 h ASP 26 Ca 0.35 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.88 2da6 h ASP 26 Cb 0.49 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2da6 h ASP 26 CO -0.13 0.18 -0.56 0.03 -1.61 0.00 0.00 179.24 177.14 2da6 h ARG 27 N 0.30 0.11 -4.26 0.28 3.08 -1.07 -3.47 114.38 109.34 2da6 h ARG 27 Ca 0.17 -0.18 -0.31 0.00 0.07 0.00 0.00 59.98 59.73 2da6 h ARG 27 Cb 0.30 0.07 -0.28 0.00 0.08 0.00 0.00 29.97 30.14 2da6 h ARG 27 CO -0.04 1.09 -0.75 -1.14 -1.07 0.00 0.00 179.97 178.06 2da6 s GLN 28 N -2.33 0.39 0.03 0.04 2.00 -0.72 -5.05 119.66 114.03 2da6 s GLN 28 Ca -0.19 -0.21 -0.13 0.00 -2.00 0.00 0.00 55.36 52.82 2da6 s GLN 28 Cb 0.00 -0.35 -0.34 0.00 0.80 0.00 0.00 33.01 33.12 2da6 s GLN 28 CO 0.72 0.09 0.99 0.87 -0.50 0.00 0.00 175.29 177.47 2da6 h LYS 29 N 5.90 0.48 -3.40 1.67 1.79 -1.87 -3.35 116.57 117.79 2da6 h LYS 29 Ca -0.28 -0.82 -0.68 0.00 -2.18 0.00 0.00 60.65 56.69 2da6 h LYS 29 Cb 1.19 0.31 -0.37 0.00 -1.58 0.00 0.00 32.23 31.78 2da6 h LYS 29 CO 0.49 1.39 -0.39 0.54 -1.08 0.00 0.00 179.45 180.41 2da6 s ASN 30 N -7.48 5.16 0.15 0.86 2.20 -1.26 -4.97 114.94 109.60 2da6 s ASN 30 Ca -0.09 -3.23 -0.31 0.00 -0.94 0.00 0.00 52.86 48.30 2da6 s ASN 30 Cb 0.05 -1.79 -0.08 0.00 -2.00 0.00 0.00 41.25 37.42 2da6 s ASN 30 CO 0.93 -0.26 1.33 -2.16 -2.94 0.00 0.00 177.10 174.00 2da6 s PRO 31 N -0.60 4.36 0.72 3.55 0.04 -1.26 -5.03 135.00 136.77 2da6 s PRO 31 Ca 0.20 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 2da6 s PRO 31 Cb -0.16 -3.23 0.10 0.00 0.04 0.00 0.00 34.50 31.25 2da6 s PRO 31 CO -0.06 -0.33 1.00 -1.12 0.04 0.00 0.00 177.00 176.53 2da6 s SER 32 N 0.71 4.50 0.27 6.66 0.01 -1.26 -4.41 113.70 120.19 2da6 s SER 32 Ca 0.60 0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.98 2da6 s SER 32 Cb -0.36 -0.57 0.79 0.00 0.21 0.00 0.00 66.02 66.09 2da6 s SER 32 CO 0.34 -1.76 1.30 1.17 0.41 0.00 0.00 173.24 174.69 2da6 n LYS 33 N -2.90 -0.06 0.30 12.44 3.00 -1.26 -0.30 118.16 129.38 2da6 n LYS 33 Ca 0.11 1.20 -0.12 0.00 -0.00 0.00 0.00 58.31 59.51 2da6 n LYS 33 Cb 0.60 -1.99 -0.06 0.00 0.00 0.00 0.00 35.03 33.58 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 -0.77 0.07 1.64 5.08 -1.98 -0.98 114.58 117.64 2da6 h GLU 34 Ca 0.57 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 2da6 h GLU 34 Cb 1.30 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 2da6 h GLU 34 CO -0.73 -0.51 -0.25 0.93 -1.00 0.00 0.00 179.01 177.45 2da6 h GLU 35 N -1.00 -0.35 -0.69 2.33 5.08 -1.07 -0.84 114.58 118.03 2da6 h GLU 35 Ca -0.08 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 2da6 h GLU 35 Cb 0.61 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.81 2da6 h GLU 35 CO 0.13 -0.24 -0.18 0.00 -1.00 0.00 0.00 179.01 177.73 2da6 h ARG 36 N -0.37 -0.01 -0.49 2.33 3.08 -0.79 0.33 114.38 118.47 2da6 h ARG 36 Ca -0.01 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.14 2da6 h ARG 36 Cb 0.36 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.33 2da6 h ARG 36 CO -0.13 -0.01 -0.06 0.93 -1.07 0.00 0.00 179.97 179.63 2da6 h GLU 37 N -0.01 0.05 0.00 0.04 4.39 -0.74 0.42 114.58 118.73 2da6 h GLU 37 Ca 0.33 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2da6 h GLU 37 Cb 0.51 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2da6 h GLU 37 CO -0.71 0.03 0.33 0.00 -1.16 0.00 0.00 179.01 177.50 2da6 h ALA 38 N 1.47 1.31 0.00 3.43 0.00 0.52 0.40 119.26 126.39 2da6 h ALA 38 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 2da6 h ALA 38 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2da6 h ALA 38 CO -0.46 -0.31 -1.92 1.28 0.00 0.00 0.00 179.25 177.83 2da6 n LEU 39 N -2.69 0.48 -0.12 0.00 4.77 0.14 -2.81 117.00 116.77 2da6 n LEU 39 Ca -0.02 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 2da6 n LEU 39 Cb 0.37 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2da6 n LEU 39 CO 0.11 0.35 0.58 0.58 -1.33 0.00 0.00 177.39 177.68 2da6 h VAL 40 N 0.00 1.28 0.12 4.08 2.07 0.68 -2.00 116.25 122.48 2da6 h VAL 40 Ca -0.34 -1.49 -0.22 0.00 0.82 0.00 0.00 66.70 65.47 2da6 h VAL 40 Cb 1.94 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2da6 h VAL 40 CO 0.05 0.50 -1.06 1.05 0.02 0.00 0.00 177.57 178.13 2da6 h GLU 41 N 0.69 0.25 -0.36 1.57 4.11 -1.56 -3.13 114.58 116.15 2da6 h GLU 41 Ca 0.07 -0.42 0.05 0.00 0.07 0.00 0.00 59.36 59.13 2da6 h GLU 41 Cb 0.91 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2da6 h GLU 41 CO 0.08 1.20 0.06 1.49 0.07 0.00 0.00 179.01 181.92 2da6 h GLU 42 N -0.40 0.18 0.19 1.06 4.57 -1.61 -0.01 114.58 118.56 2da6 h GLU 42 Ca -0.21 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 2da6 h GLU 42 Cb 1.65 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2da6 h GLU 42 CO 0.09 0.12 -0.09 0.00 -1.18 0.00 0.00 179.01 177.94 2da6 h ASN 44 N -0.27 0.27 0.65 0.00 2.35 -1.53 0.12 115.58 117.18 2da6 h ASN 44 Ca -0.03 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2da6 h ASN 44 Cb 0.20 0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.65 2da6 h ASN 44 CO 0.04 -0.09 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.33 2da6 h ARG 45 N 0.16 -0.84 -0.74 0.81 2.43 -0.79 -2.81 114.38 112.59 2da6 h ARG 45 Ca 0.75 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 60.06 2da6 h ARG 45 Cb 2.32 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 31.99 2da6 h ARG 45 CO -0.33 -0.54 0.40 0.00 -1.51 0.00 0.00 179.97 177.98 2da6 h ALA 46 N -1.14 1.03 -0.74 2.80 0.00 0.37 -1.63 119.26 119.95 2da6 h ALA 46 Ca -0.09 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2da6 h ALA 46 Cb 0.69 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2da6 h ALA 46 CO 0.15 0.02 0.29 0.93 0.00 0.00 0.00 179.25 180.64 2da6 h GLU 47 N 0.68 0.43 -0.55 0.00 5.08 -0.87 0.14 114.58 119.49 2da6 h GLU 47 Ca 0.36 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2da6 h GLU 47 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2da6 h GLU 47 CO -0.24 0.29 0.04 0.00 -1.00 0.00 0.00 179.01 178.09 2da6 h LEU 49 N 0.83 -0.96 -0.79 0.00 3.38 -0.58 1.94 115.31 119.13 2da6 h LEU 49 Ca 0.16 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.27 2da6 h LEU 49 Cb 0.48 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2da6 h LEU 49 CO 0.02 -0.66 0.43 0.06 0.09 0.00 0.00 178.44 178.38 2da6 h GLN 50 N -1.17 0.68 0.00 1.13 3.07 -1.09 0.39 115.11 118.13 2da6 h GLN 50 Ca -0.12 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.58 2da6 h GLN 50 Cb 0.87 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2da6 h GLN 50 CO 0.19 0.45 0.00 0.54 0.09 0.00 0.00 178.83 180.10 2da6 n ARG 51 N -4.80 0.86 0.00 0.06 1.74 -0.40 -4.85 116.66 109.27 2da6 n ARG 51 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2da6 n ARG 51 Cb 0.30 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 0.61 2.83 3.34 -0.13 0.00 0.14 -5.00 105.19 106.98 2da6 n GLY 52 Ca 0.14 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 -0.92 0.00 -3.75 1.61 0.31 0.64 -4.79 118.33 111.43 2da6 n VAL 53 Ca 0.00 -0.28 -0.37 0.00 -0.01 0.00 0.00 64.34 63.68 2da6 n VAL 53 Cb 0.00 -0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.65 6.52 0.00 4.52 0.15 -1.26 -3.23 113.70 117.76 2da6 s SER 54 Ca 0.67 0.62 0.16 0.00 0.70 0.00 0.00 55.95 58.10 2da6 s SER 54 Cb -0.19 -2.12 0.92 0.00 -1.71 0.00 0.00 66.02 62.92 2da6 s SER 54 CO 0.62 0.35 1.34 -0.81 1.20 0.00 0.00 173.24 175.94 2da6 n PRO 55 N 1.71 0.48 -0.06 5.44 -0.04 -1.26 -2.20 135.00 139.07 2da6 n PRO 55 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2da6 n PRO 55 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.01 0.59 -2.21 3.54 2.88 -1.26 -4.39 113.62 111.75 2da6 n SER 56 Ca 0.12 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.38 2da6 n SER 56 Cb 0.06 1.31 0.13 0.00 -0.75 0.00 0.00 64.21 64.96 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 -2.47 2.46 0.08 -1.46 5.02 -0.93 -4.61 118.16 116.25 2da6 n LYS 57 Ca -0.19 -3.17 0.13 0.00 -2.02 0.00 0.00 58.31 53.05 2da6 n LYS 57 Cb 0.85 -2.21 0.61 0.00 -0.02 0.00 0.00 35.03 34.26 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 1.46 2.15 -1.51 7.82 0.00 -1.77 -1.89 119.26 125.53 2da6 h ALA 58 Ca 0.60 -0.01 0.45 0.00 0.00 0.00 0.00 54.91 55.94 2da6 h ALA 58 Cb 1.89 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.59 2da6 h ALA 58 CO 1.27 -0.24 1.07 1.12 0.00 0.00 0.00 179.25 182.48 2da6 h HIS 59 N 0.13 0.13 -0.71 0.00 2.07 -1.93 0.71 115.15 115.55 2da6 h HIS 59 Ca 0.16 0.01 -0.06 0.00 -2.85 0.00 0.00 60.37 57.62 2da6 h HIS 59 Cb 0.46 -0.03 -0.03 0.00 2.57 0.00 0.00 27.41 30.37 2da6 h HIS 59 CO -0.00 -0.03 0.20 0.78 -3.07 0.00 0.00 177.93 175.80 2da6 h GLY 60 N 0.04 1.20 -0.91 6.13 0.00 -1.74 -2.99 103.07 104.80 2da6 h GLY 60 Ca 0.76 -0.73 0.33 0.00 0.00 0.00 0.00 47.33 47.70 2da6 h GLY 60 CO -0.10 0.68 0.56 1.04 0.00 0.00 0.00 176.54 178.72 2da6 n LEU 61 N -4.24 0.19 0.00 3.11 4.77 0.25 -4.63 117.00 116.44 2da6 n LEU 61 Ca 0.06 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 2da6 n LEU 61 Cb 0.24 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2da6 n LEU 61 CO 0.42 -1.18 0.00 0.61 -1.33 0.00 0.00 177.39 175.91 2da6 n GLY 62 N -1.32 0.96 0.24 -0.72 0.00 -1.13 -0.03 105.19 103.19 2da6 n GLY 62 Ca 0.29 0.63 0.07 0.00 0.00 0.00 0.00 46.02 47.01 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 -0.46 1.61 0.02 -1.93 -0.55 113.55 112.24 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 0.10 0.00 0.59 -1.14 0.00 0.00 176.83 176.38 2da6 n ASN 64 N -4.37 3.77 -4.76 3.07 3.02 0.96 -4.62 115.26 112.32 2da6 n ASN 64 Ca -0.03 -2.40 -0.40 0.00 -0.03 0.00 0.00 54.58 51.72 2da6 n ASN 64 Cb 0.18 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 2da6 n ASN 64 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2da6 s LEU 65 N -1.58 4.51 0.18 3.41 2.96 -0.22 -4.89 118.68 123.04 2da6 s LEU 65 Ca 0.37 1.51 -0.04 0.00 -0.22 0.00 0.00 54.13 55.75 2da6 s LEU 65 Cb 0.25 -3.23 -0.05 0.00 0.50 0.00 0.00 46.19 43.65 2da6 s LEU 65 CO 0.16 0.10 0.41 -0.69 -1.32 0.00 0.00 176.35 175.01 2da6 s VAL 66 N -0.51 5.15 0.13 1.68 1.01 -1.26 -4.49 120.40 122.10 2da6 s VAL 66 Ca 0.37 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2da6 s VAL 66 Cb -0.21 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.54 2da6 s VAL 66 CO 0.24 -0.06 0.42 0.42 0.00 0.00 0.00 175.10 176.12 2da6 s THR 67 N -1.77 0.06 0.29 3.92 -4.23 -1.26 -4.94 115.64 107.72 2da6 s THR 67 Ca 0.41 -0.53 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 2da6 s THR 67 Cb -0.12 -1.15 0.33 0.00 1.34 0.00 0.00 72.50 72.91 2da6 s THR 67 CO 0.26 -0.29 1.34 1.21 -0.54 0.00 0.00 174.62 176.60 2da6 n GLU 68 N -0.22 -0.06 0.36 3.99 2.13 -1.26 0.21 120.64 125.80 2da6 n GLU 68 Ca -0.16 1.22 -0.17 0.00 0.66 0.00 0.00 57.16 58.71 2da6 n GLU 68 Cb 0.64 -2.07 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 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 0.28 -0.86 6.31 2.07 -1.98 -0.34 116.25 121.72 2da6 h VAL 69 Ca 0.62 -0.14 0.15 0.00 0.82 0.00 0.00 66.70 68.15 2da6 h VAL 69 Cb 1.50 0.32 -0.15 0.00 -1.52 0.00 0.00 31.29 31.44 2da6 h VAL 69 CO -0.73 0.02 -0.31 0.03 0.02 0.00 0.00 177.57 176.60 2da6 h ARG 70 N -1.01 -0.03 -0.33 1.57 2.47 -0.63 0.22 114.38 116.64 2da6 h ARG 70 Ca -0.09 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 2da6 h ARG 70 Cb 0.72 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 2da6 h ARG 70 CO 0.15 -0.02 0.09 0.28 0.56 0.00 0.00 179.97 181.03 2da6 h VAL 71 N -0.04 1.22 -0.55 2.04 2.07 -1.37 -1.73 116.25 117.88 2da6 h VAL 71 Ca 0.36 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 67.26 2da6 h VAL 71 Cb 0.61 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 2da6 h VAL 71 CO -0.89 0.24 0.14 0.22 0.02 0.00 0.00 177.57 177.30 2da6 h TYR 72 N 0.38 0.23 0.11 1.57 5.03 0.11 -0.40 116.97 124.01 2da6 h TYR 72 Ca 0.11 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 2da6 h TYR 72 Cb 0.28 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.54 2da6 h TYR 72 CO 0.01 0.02 -0.05 -0.91 -1.32 0.00 0.00 178.16 175.91 2da6 h ASN 73 N 0.29 -0.12 -0.69 -2.11 2.35 -0.63 -1.91 115.58 112.75 2da6 h ASN 73 Ca 0.28 -0.20 0.14 0.00 -0.55 0.00 0.00 56.30 55.97 2da6 h ASN 73 Cb 0.37 0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.68 2da6 h ASN 73 CO -0.34 0.13 0.19 -0.25 -1.65 0.00 0.00 177.43 175.51 2da6 h TRP 74 N -0.38 0.30 -0.55 1.19 7.01 -0.85 -0.52 115.95 122.15 2da6 h TRP 74 Ca -0.01 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 2da6 h TRP 74 Cb 0.31 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.32 2da6 h TRP 74 CO 0.00 -0.03 0.21 0.74 -2.79 0.00 0.00 178.44 176.57 2da6 h PHE 75 N 0.30 0.84 -0.32 2.65 -1.00 -0.99 -2.45 116.94 115.97 2da6 h PHE 75 Ca 0.38 -0.07 0.07 0.00 2.81 0.00 0.00 57.97 61.16 2da6 h PHE 75 Cb 0.61 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.85 2da6 h PHE 75 CO -0.24 0.69 -0.11 0.00 -1.61 0.00 0.00 178.31 177.05 2da6 h ALA 76 N 1.06 0.17 -0.67 2.45 0.00 -0.28 -1.16 119.26 120.83 2da6 h ALA 76 Ca 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2da6 h ALA 76 Cb 0.21 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2da6 h ALA 76 CO -0.01 -0.49 0.37 -0.97 0.00 0.00 0.00 179.25 178.15 2da6 h ASN 77 N -0.04 0.82 -0.39 0.00 -0.73 -1.24 -1.60 115.58 112.41 2da6 h ASN 77 Ca 0.16 -0.06 0.08 0.00 1.87 0.00 0.00 56.30 58.35 2da6 h ASN 77 Cb 0.28 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2da6 h ASN 77 CO -0.35 0.66 0.27 0.03 -0.37 0.00 0.00 177.43 177.67 2da6 h ARG 78 N 0.94 0.16 0.11 6.67 2.47 -0.74 0.31 114.38 124.30 2da6 h ARG 78 Ca 0.24 -0.01 -0.31 0.00 -1.26 0.00 0.00 59.98 58.64 2da6 h ARG 78 Cb 0.01 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2da6 h ARG 78 CO -0.04 0.11 -1.54 0.00 0.56 0.00 0.00 179.97 179.05 2da6 h ARG 79 N 0.17 0.23 -0.21 0.04 3.08 -0.93 -3.03 114.38 113.74 2da6 h ARG 79 Ca 0.18 -0.40 -0.15 0.00 0.07 0.00 0.00 59.98 59.68 2da6 h ARG 79 Cb 0.49 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2da6 h ARG 79 CO -0.03 1.09 -0.50 0.87 -1.07 0.00 0.00 179.97 180.33 2da6 h LYS 80 N 0.06 0.57 0.04 0.04 6.56 -0.49 -2.72 116.57 120.63 2da6 h LYS 80 Ca -0.25 -0.34 -0.00 0.00 -1.06 0.00 0.00 60.65 59.01 2da6 h LYS 80 Cb 2.01 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.70 2da6 h LYS 80 CO 0.15 0.94 -0.02 1.05 -2.06 0.00 0.00 179.45 179.52 2da6 h GLU 81 N 0.45 -0.05 -0.72 3.15 4.11 -0.55 0.03 114.58 121.01 2da6 h GLU 81 Ca 0.02 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.59 2da6 h GLU 81 Cb 1.03 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2da6 h GLU 81 CO 0.10 0.44 0.48 1.05 0.07 0.00 0.00 179.01 181.15 2da6 h GLU 82 N -0.56 0.41 0.00 1.06 4.11 -1.57 0.18 114.58 118.21 2da6 h GLU 82 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2da6 h GLU 82 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2da6 h GLU 82 CO 0.01 0.27 -0.60 0.00 0.07 0.00 0.00 179.01 178.76 2da6 h ALA 83 N 1.66 0.63 0.42 1.06 0.00 -1.44 -3.38 119.26 118.21 2da6 h ALA 83 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2da6 h ALA 83 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2da6 h ALA 83 CO -0.11 0.00 -0.34 0.35 0.00 0.00 0.00 179.25 179.16 2da6 h PHE 84 N 0.00 -0.92 -0.80 0.00 3.04 0.14 0.33 116.94 118.74 2da6 h PHE 84 Ca 0.00 0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.18 2da6 h PHE 84 Cb 0.82 0.34 -0.03 0.00 2.56 0.00 0.00 35.95 39.64 2da6 h PHE 84 CO 0.00 -0.47 0.96 0.00 -2.02 0.00 0.00 178.31 176.78 2da6 h ARG 85 N -0.73 0.00 0.12 1.11 3.08 -1.73 0.71 114.38 116.94 2da6 h ARG 85 Ca -0.05 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.66 2da6 h ARG 85 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2da6 h ARG 85 CO 0.01 0.00 -1.80 1.96 -1.07 0.00 0.00 179.97 179.06 2da6 h GLN 86 N 0.00 0.26 -0.89 0.04 4.20 -1.49 -3.33 115.11 113.91 2da6 h GLN 86 Ca 0.38 -0.45 0.01 0.00 0.06 0.00 0.00 58.65 58.64 2da6 h GLN 86 Cb 2.30 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 30.20 2da6 h GLN 86 CO -0.00 1.22 0.58 -0.22 -0.67 0.00 0.00 178.83 179.73 2da6 h LYS 87 N -0.08 1.19 0.00 1.46 3.11 0.43 0.06 116.57 122.74 2da6 h LYS 87 Ca -0.39 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2da6 h LYS 87 Cb 1.94 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 32.91 2da6 h LYS 87 CO 0.07 0.80 0.00 1.47 -2.81 0.00 0.00 179.45 178.98 2da6 n LEU 88 N -4.44 0.00 -0.12 5.20 -0.00 -0.21 -2.88 117.00 114.54 2da6 n LEU 88 Ca 0.10 0.14 -0.16 0.00 -0.00 0.00 0.00 56.01 56.08 2da6 n LEU 88 Cb 0.02 -0.14 -0.13 0.00 -0.00 0.00 0.00 43.42 43.18 2da6 n LEU 88 CO 0.37 -0.05 -1.31 0.00 -0.00 0.00 0.00 177.39 176.41 2da6 n ALA 89 N -1.14 1.45 -0.09 1.47 0.00 -0.07 -4.39 120.51 117.75 2da6 n ALA 89 Ca 0.13 -1.16 0.07 0.00 0.00 0.00 0.00 53.44 52.48 2da6 n ALA 89 Cb 0.12 -0.12 0.42 0.00 0.00 0.00 0.00 19.45 19.87 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 0.57 -6.71 0.00 2.86 -1.20 -3.44 114.93 107.01 2da6 h MET 90 Ca -0.57 -0.03 -0.41 0.00 -2.06 0.00 0.00 59.70 56.63 2da6 h MET 90 Cb 1.98 -0.13 0.21 0.00 0.06 0.00 0.00 31.60 33.73 2da6 h MET 90 CO -0.06 0.37 -0.64 -0.25 1.06 0.00 0.00 176.91 177.39 2da6 n ASP 91 N -4.47 -2.56 -3.34 1.22 8.00 -1.23 -4.79 116.55 109.37 2da6 n ASP 91 Ca 0.08 -0.27 -0.34 0.00 0.71 0.00 0.00 54.79 54.96 2da6 n ASP 91 Cb 0.21 -1.00 -0.01 0.00 -0.02 0.00 0.00 41.12 40.30 2da6 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2da6 n ALA 92 N -4.75 -2.54 -1.40 2.24 0.00 -1.26 -4.88 120.51 107.92 2da6 n ALA 92 Ca 0.03 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 2da6 n ALA 92 Cb 0.56 -1.18 0.08 0.00 0.00 0.00 0.00 19.45 18.91 2da6 n ALA 92 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2da6 s TYR 93 N -1.05 2.80 -0.50 0.00 1.13 -1.26 -4.05 117.35 114.42 2da6 s TYR 93 Ca 0.47 1.46 -0.03 0.00 -1.41 0.00 0.00 57.07 57.56 2da6 s TYR 93 Cb -0.59 -2.99 0.00 0.00 -1.10 0.00 0.00 41.96 37.28 2da6 s TYR 93 CO 0.46 -1.60 0.40 0.45 -2.51 0.00 0.00 175.55 172.76 2da6 n SER 94 N -3.38 -3.54 -0.01 -0.18 2.88 -1.26 -4.96 113.62 103.17 2da6 n SER 94 Ca 0.08 -0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.32 2da6 n SER 94 Cb 0.53 -2.13 -0.08 0.00 -0.75 0.00 0.00 64.21 61.79 2da6 n SER 94 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2da6 h SER 95 N -0.92 -1.38 -1.23 -3.46 0.87 -1.93 -3.44 113.55 102.06 2da6 h SER 95 Ca -0.20 0.16 -0.61 0.00 -1.23 0.00 0.00 61.79 59.91 2da6 h SER 95 Cb 1.13 0.54 -0.11 0.00 -0.44 0.00 0.00 62.40 63.52 2da6 h SER 95 CO 0.20 -0.39 -0.52 0.20 -0.53 0.00 0.00 176.83 175.80 2da6 s ASN 96 N -4.38 4.20 0.03 6.23 -0.87 -1.26 -5.07 114.94 113.81 2da6 s ASN 96 Ca -0.12 -1.32 -0.28 0.00 -1.57 0.00 0.00 52.86 49.56 2da6 s ASN 96 Cb 0.06 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.25 40.99 2da6 s ASN 96 CO 0.49 -0.64 1.27 -1.28 -2.57 0.00 0.00 177.10 174.36 2da6 h SER 97 N 1.45 -0.72 -3.60 -1.22 0.87 -2.04 -3.50 113.55 104.79 2da6 h SER 97 Ca -0.43 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2da6 h SER 97 Cb 1.27 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 2da6 h SER 97 CO 0.73 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 2da6 n GLY 98 N -0.81 -0.14 3.77 5.77 0.00 -1.26 -5.00 105.19 107.53 2da6 n GLY 98 Ca -0.12 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 -4.51 4.00 0.45 1.61 0.04 -1.26 -5.06 135.00 130.28 2da6 s PRO 99 Ca 0.00 1.87 0.06 0.00 0.04 0.00 0.00 61.00 62.97 2da6 s PRO 99 Cb 0.00 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 2da6 s PRO 99 CO 0.00 -0.37 0.22 -1.12 0.04 0.00 0.00 177.00 175.77 2da6 s SER 100 N -1.12 4.48 0.15 6.66 0.01 -1.26 -5.15 113.70 117.47 2da6 s SER 100 Ca 0.58 -1.16 0.07 0.00 1.31 0.00 0.00 55.95 56.74 2da6 s SER 100 Cb -0.31 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 2da6 s SER 100 CO 0.39 -0.72 -0.01 -0.55 0.41 0.00 0.00 173.24 172.76 2da6 s SER 101 N -4.00 4.77 0.00 2.44 0.15 -1.26 -5.35 113.70 110.45 2da6 s SER 101 Ca 0.36 -0.35 0.22 0.00 0.70 0.00 0.00 55.95 56.87 2da6 s SER 101 Cb 0.02 -1.03 1.31 0.00 -1.71 0.00 0.00 66.02 64.61 2da6 s SER 101 CO 0.20 0.12 1.68 0.61 1.20 0.00 0.00 173.24 177.05