#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 0.47 -0.08 1.61 0.87 -2.12 -3.37 113.55 110.93 2da6 h SER 2 Ca 0.00 -0.89 -0.03 0.00 -1.23 0.00 0.00 61.79 59.64 2da6 h SER 2 Cb 0.00 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2da6 h SER 2 CO 0.00 1.61 -0.06 0.77 -0.53 0.00 0.00 176.83 178.62 2da6 h SER 3 N -0.22 0.19 0.00 6.23 4.64 -2.11 -3.49 113.55 118.79 2da6 h SER 3 Ca -0.28 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 2da6 h SER 3 Cb 1.82 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 2da6 h SER 3 CO 0.11 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 2da6 n GLY 4 N 0.15 0.59 3.77 -0.77 0.00 -1.26 -5.05 105.19 102.63 2da6 n GLY 4 Ca -0.07 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 2da6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da6 s SER 5 N 0.00 6.34 -0.18 1.61 0.01 -1.26 -4.90 113.70 115.32 2da6 s SER 5 Ca 0.00 2.76 -0.29 0.00 1.31 0.00 0.00 55.95 59.73 2da6 s SER 5 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2da6 s SER 5 CO 0.00 -0.84 1.87 -0.94 0.41 0.00 0.00 173.24 173.74 2da6 s SER 6 N -0.56 6.09 0.00 2.44 1.04 -1.26 -4.07 113.70 117.38 2da6 s SER 6 Ca 0.55 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.86 2da6 s SER 6 Cb -0.41 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.19 2da6 s SER 6 CO 0.53 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2da6 n GLY 7 N 5.01 0.77 0.09 7.32 0.00 -1.26 -5.07 105.19 112.04 2da6 n GLY 7 Ca 0.22 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 2da6 n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2da6 h ARG 8 N 0.00 0.00 -5.27 1.61 2.47 -1.99 -3.49 114.38 107.71 2da6 h ARG 8 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 2da6 h ARG 8 Cb 0.00 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.19 2da6 h ARG 8 CO 0.00 0.80 -0.56 0.54 0.56 0.00 0.00 179.97 181.31 2da6 s ASN 9 N -6.42 3.31 -0.34 7.04 4.22 -1.26 -5.13 114.94 116.37 2da6 s ASN 9 Ca -0.22 -1.52 -0.03 0.00 -2.14 0.00 0.00 52.86 48.95 2da6 s ASN 9 Cb 0.02 0.15 0.06 0.00 1.28 0.00 0.00 41.25 42.77 2da6 s ASN 9 CO 0.53 -0.72 0.08 -0.13 -2.04 0.00 0.00 177.10 174.82 2da6 s ARG 10 N -3.80 2.37 0.50 3.55 1.81 -1.26 -5.09 118.95 117.03 2da6 s ARG 10 Ca 0.24 -1.38 -0.19 0.00 -1.72 0.00 0.00 55.73 52.68 2da6 s ARG 10 Cb 0.06 -3.35 -0.12 0.00 -0.45 0.00 0.00 34.95 31.09 2da6 s ARG 10 CO 0.12 -0.74 0.35 0.34 -0.68 0.00 0.00 175.30 174.69 2da6 n PHE 11 N 4.66 -1.23 -4.39 -0.53 7.35 -1.26 -4.99 117.46 117.07 2da6 n PHE 11 Ca -0.10 0.50 -0.22 0.00 -0.76 0.00 0.00 57.45 56.87 2da6 n PHE 11 Cb 0.43 -1.89 -0.16 0.00 0.35 0.00 0.00 39.48 38.21 2da6 n PHE 11 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2da6 s LYS 12 N -1.62 1.28 0.31 -4.13 2.36 -1.26 -5.13 119.74 111.55 2da6 s LYS 12 Ca 0.64 -0.27 -0.28 0.00 -2.55 0.00 0.00 55.97 53.51 2da6 s LYS 12 Cb -0.51 -1.13 -0.09 0.00 -1.05 0.00 0.00 37.83 35.04 2da6 s LYS 12 CO 0.59 -0.02 1.11 -1.58 1.55 0.00 0.00 175.35 176.99 2da6 s TRP 13 N 0.77 3.45 0.59 4.03 0.52 -1.26 -4.96 118.94 122.07 2da6 s TRP 13 Ca -0.13 1.66 -0.10 0.00 0.02 0.00 0.00 56.10 57.55 2da6 s TRP 13 Cb -0.15 -3.29 0.14 0.00 -1.15 0.00 0.00 33.47 29.01 2da6 s TRP 13 CO 0.02 -0.70 0.80 0.41 0.02 0.00 0.00 176.95 177.50 2da6 n GLY 14 N 0.97 -1.32 0.24 0.98 0.00 -1.26 -4.83 105.19 99.99 2da6 n GLY 14 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 0.74 0.05 1.61 0.13 -2.00 -2.90 132.00 129.62 2da6 h PRO 15 Ca -0.26 -0.39 -0.18 0.00 -0.87 0.00 0.00 66.00 64.30 2da6 h PRO 15 Cb 0.72 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2da6 h PRO 15 CO 0.18 1.01 -0.96 0.00 -0.23 0.00 0.00 178.00 178.01 2da6 h ALA 16 N 0.94 0.14 -0.12 -0.56 0.00 -1.94 -3.35 119.26 114.37 2da6 h ALA 16 Ca 0.05 -0.95 0.02 0.00 0.00 0.00 0.00 54.91 54.03 2da6 h ALA 16 Cb 0.96 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 2da6 h ALA 16 CO 0.09 0.54 -0.43 0.77 0.00 0.00 0.00 179.25 180.23 2da6 h SER 17 N -0.72 -1.36 -0.94 0.00 0.02 -1.87 -2.29 113.55 106.40 2da6 h SER 17 Ca -0.23 0.16 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2da6 h SER 17 Cb 1.41 0.53 -0.12 0.00 0.14 0.00 0.00 62.40 64.36 2da6 h SER 17 CO -0.04 -0.37 -0.52 0.00 -1.14 0.00 0.00 176.83 174.76 2da6 n GLN 18 N -4.80 -0.37 -0.26 3.45 6.02 -1.10 0.33 117.38 120.65 2da6 n GLN 18 Ca -0.05 1.43 0.04 0.00 -0.01 0.00 0.00 57.00 58.41 2da6 n GLN 18 Cb 0.29 -2.11 0.13 0.00 1.02 0.00 0.00 30.24 29.58 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 0.06 -0.87 -1.09 4.20 -1.56 0.28 115.11 116.13 2da6 h GLN 19 Ca 0.19 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.01 2da6 h GLN 19 Cb 0.42 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 2da6 h GLN 19 CO -0.90 0.04 0.50 0.82 -0.67 0.00 0.00 178.83 178.62 2da6 h ILE 20 N 0.06 0.87 -0.91 2.54 2.04 0.36 -0.86 117.51 121.61 2da6 h ILE 20 Ca 0.39 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.98 2da6 h ILE 20 Cb 0.66 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2da6 h ILE 20 CO -0.70 0.15 0.59 -0.07 0.00 0.00 0.00 178.15 178.12 2da6 h LEU 21 N 0.80 1.06 -0.14 1.44 3.38 0.27 -2.11 115.31 120.01 2da6 h LEU 21 Ca 0.43 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 2da6 h LEU 21 Cb 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2da6 h LEU 21 CO -0.27 0.78 0.02 1.88 0.09 0.00 0.00 178.44 180.93 2da6 h TYR 22 N 1.24 0.25 -0.52 1.13 0.05 -0.59 0.16 116.97 118.68 2da6 h TYR 22 Ca 0.33 -0.03 0.10 0.00 0.05 0.00 0.00 58.73 59.18 2da6 h TYR 22 Cb -0.12 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 2da6 h TYR 22 CO -0.01 0.41 0.36 1.96 -1.05 0.00 0.00 178.16 179.83 2da6 h GLN 23 N 0.01 0.27 0.04 4.88 1.08 -1.01 0.97 115.11 121.35 2da6 h GLN 23 Ca 0.04 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 2da6 h GLN 23 Cb 0.30 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2da6 h GLN 23 CO 0.00 0.18 -0.26 0.00 -0.95 0.00 0.00 178.83 177.81 2da6 h ALA 24 N 1.74 -0.02 -0.53 3.87 0.00 -1.10 -3.30 119.26 119.91 2da6 h ALA 24 Ca 0.24 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2da6 h ALA 24 Cb 0.58 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2da6 h ALA 24 CO -0.05 0.11 0.35 -0.92 0.00 0.00 0.00 179.25 178.74 2da6 h TYR 25 N -0.75 0.65 -0.16 0.00 5.03 -0.46 -0.91 116.97 120.37 2da6 h TYR 25 Ca -0.04 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.29 2da6 h TYR 25 Cb 1.17 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 2da6 h TYR 25 CO 0.24 0.40 0.11 0.22 -1.32 0.00 0.00 178.16 177.81 2da6 h ASP 26 N 0.69 0.15 0.00 -2.11 1.82 -0.92 -3.01 116.42 113.05 2da6 h ASP 26 Ca 0.20 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.72 2da6 h ASP 26 Cb -0.04 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 2da6 h ASP 26 CO -0.05 0.11 -0.64 0.03 -1.61 0.00 0.00 179.24 177.09 2da6 h ARG 27 N 0.18 0.00 -4.70 0.28 3.08 -1.30 -3.47 114.38 108.46 2da6 h ARG 27 Ca 0.06 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.61 2da6 h ARG 27 Cb 0.03 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.76 2da6 h ARG 27 CO -0.01 0.95 -0.81 -1.14 -1.07 0.00 0.00 179.97 177.88 2da6 s GLN 28 N -2.27 1.50 0.11 0.04 2.00 -0.49 -5.03 119.66 115.51 2da6 s GLN 28 Ca -0.23 -0.42 -0.09 0.00 -2.00 0.00 0.00 55.36 52.62 2da6 s GLN 28 Cb 0.02 -1.29 -0.14 0.00 0.80 0.00 0.00 33.01 32.40 2da6 s GLN 28 CO 0.61 0.09 1.27 0.87 -0.50 0.00 0.00 175.29 177.64 2da6 h LYS 29 N 6.68 0.57 -3.47 1.67 1.79 -1.86 -3.35 116.57 118.59 2da6 h LYS 29 Ca -0.32 -0.58 -0.67 0.00 -2.18 0.00 0.00 60.65 56.90 2da6 h LYS 29 Cb 1.18 0.16 -0.38 0.00 -1.58 0.00 0.00 32.23 31.61 2da6 h LYS 29 CO 0.48 1.20 -0.46 -0.80 -1.08 0.00 0.00 179.45 178.78 2da6 s ASN 30 N -7.16 4.87 0.10 0.86 0.01 -1.26 -5.01 114.94 107.36 2da6 s ASN 30 Ca -0.08 -2.97 -0.31 0.00 -0.71 0.00 0.00 52.86 48.79 2da6 s ASN 30 Cb 0.08 -1.77 -0.08 0.00 0.41 0.00 0.00 41.25 39.90 2da6 s ASN 30 CO 0.89 -0.30 1.37 -2.16 -1.51 0.00 0.00 177.10 175.39 2da6 s PRO 31 N -0.23 4.33 0.59 -0.60 0.04 -1.26 -5.03 135.00 132.84 2da6 s PRO 31 Ca 0.17 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.31 2da6 s PRO 31 Cb -0.22 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.13 2da6 s PRO 31 CO -0.02 -0.43 0.81 -1.12 0.04 0.00 0.00 177.00 176.28 2da6 s SER 32 N 1.15 5.00 0.21 6.66 0.01 -1.26 -4.43 113.70 121.03 2da6 s SER 32 Ca 0.64 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 2da6 s SER 32 Cb -0.36 -0.01 0.40 0.00 0.21 0.00 0.00 66.02 66.26 2da6 s SER 32 CO 0.30 -1.38 1.15 1.17 0.41 0.00 0.00 173.24 174.89 2da6 n LYS 33 N -2.35 -0.06 0.36 12.44 0.00 -1.26 0.40 118.16 127.69 2da6 n LYS 33 Ca 0.14 1.13 -0.14 0.00 0.00 0.00 0.00 58.31 59.44 2da6 n LYS 33 Cb 0.61 -1.72 -0.07 0.00 0.00 0.00 0.00 35.03 33.85 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 -0.91 0.14 1.64 4.39 -1.99 -1.10 114.58 116.76 2da6 h GLU 34 Ca 0.38 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.14 2da6 h GLU 34 Cb 0.64 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2da6 h GLU 34 CO -0.74 -0.60 -0.21 0.93 -1.16 0.00 0.00 179.01 177.23 2da6 h GLU 35 N -1.07 -0.35 -0.78 2.33 4.39 -1.02 -1.48 114.58 116.59 2da6 h GLU 35 Ca -0.10 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.76 2da6 h GLU 35 Cb 0.72 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 29.31 2da6 h GLU 35 CO 0.16 -0.23 -0.37 0.00 -1.16 0.00 0.00 179.01 177.41 2da6 h ARG 36 N -0.36 -0.08 -0.42 2.33 3.08 -0.17 0.21 114.38 118.96 2da6 h ARG 36 Ca -0.02 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2da6 h ARG 36 Cb 0.33 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 2da6 h ARG 36 CO -0.06 -0.06 -0.31 0.93 -1.07 0.00 0.00 179.97 179.41 2da6 h GLU 37 N -0.09 -0.21 -0.30 0.04 4.39 -0.97 0.46 114.58 117.90 2da6 h GLU 37 Ca 0.28 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.09 2da6 h GLU 37 Cb 0.57 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2da6 h GLU 37 CO -0.83 -0.14 0.80 0.00 -1.16 0.00 0.00 179.01 177.68 2da6 h ALA 38 N 0.86 2.07 0.00 3.43 0.00 0.14 1.58 119.26 127.34 2da6 h ALA 38 Ca 0.19 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 2da6 h ALA 38 Cb 0.53 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2da6 h ALA 38 CO -0.55 -0.95 -1.88 1.28 0.00 0.00 0.00 179.25 177.15 2da6 n LEU 39 N -2.95 0.50 -0.13 0.00 4.77 0.15 -2.83 117.00 116.52 2da6 n LEU 39 Ca 0.06 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 2da6 n LEU 39 Cb 0.91 0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 42.22 2da6 n LEU 39 CO 0.13 0.32 0.61 0.58 -1.33 0.00 0.00 177.39 177.70 2da6 h VAL 40 N 0.00 1.28 0.10 4.08 2.07 0.30 -1.58 116.25 122.50 2da6 h VAL 40 Ca -0.31 -1.44 -0.20 0.00 0.82 0.00 0.00 66.70 65.57 2da6 h VAL 40 Cb 1.88 1.30 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 2da6 h VAL 40 CO 0.05 0.48 -0.95 1.05 0.02 0.00 0.00 177.57 178.22 2da6 h GLU 41 N 0.73 0.22 -0.37 1.57 4.11 -1.50 -3.09 114.58 116.25 2da6 h GLU 41 Ca 0.08 -0.37 0.04 0.00 0.07 0.00 0.00 59.36 59.19 2da6 h GLU 41 Cb 0.86 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2da6 h GLU 41 CO 0.08 1.18 0.12 1.49 0.07 0.00 0.00 179.01 181.94 2da6 h GLU 42 N -0.48 0.26 0.43 1.06 4.57 -1.60 -0.86 114.58 117.95 2da6 h GLU 42 Ca -0.20 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 2da6 h GLU 42 Cb 1.57 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 2da6 h GLU 42 CO 0.07 0.17 -0.20 0.00 -1.18 0.00 0.00 179.01 177.87 2da6 h ASN 44 N -0.60 0.00 0.10 0.00 2.35 -1.51 0.18 115.58 116.10 2da6 h ASN 44 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2da6 h ASN 44 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2da6 h ASN 44 CO 0.10 0.00 -0.05 -0.09 -1.65 0.00 0.00 177.43 175.74 2da6 h ARG 45 N 0.00 -0.13 -0.66 0.81 2.43 -0.79 -3.15 114.38 112.89 2da6 h ARG 45 Ca 0.43 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.67 2da6 h ARG 45 Cb 2.14 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.68 2da6 h ARG 45 CO -0.00 0.17 0.44 0.00 -1.51 0.00 0.00 179.97 179.06 2da6 h ALA 46 N -0.70 1.71 -0.69 2.80 0.00 0.79 -1.87 119.26 121.30 2da6 h ALA 46 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2da6 h ALA 46 Cb 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2da6 h ALA 46 CO 0.02 0.19 0.45 0.93 0.00 0.00 0.00 179.25 180.84 2da6 h GLU 47 N 0.71 0.86 -0.60 0.00 5.08 -0.83 -1.22 114.58 118.58 2da6 h GLU 47 Ca 0.28 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2da6 h GLU 47 Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2da6 h GLU 47 CO -0.09 0.57 0.03 0.00 -1.00 0.00 0.00 179.01 178.53 2da6 h LEU 49 N 0.94 -0.63 -0.57 0.00 3.38 -1.00 1.92 115.31 119.35 2da6 h LEU 49 Ca 0.18 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2da6 h LEU 49 Cb 0.51 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2da6 h LEU 49 CO 0.02 -0.37 0.31 0.06 0.09 0.00 0.00 178.44 178.55 2da6 h GLN 50 N -0.87 0.57 0.00 1.13 3.07 -1.24 0.86 115.11 118.64 2da6 h GLN 50 Ca -0.08 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.63 2da6 h GLN 50 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.05 2da6 h GLN 50 CO 0.13 0.38 0.00 0.54 0.09 0.00 0.00 178.83 179.96 2da6 n ARG 51 N -4.83 0.85 0.00 0.06 1.74 -0.49 -4.84 116.66 109.14 2da6 n ARG 51 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2da6 n ARG 51 Cb 0.13 -1.20 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 0.49 2.85 3.36 -0.13 0.00 0.30 -4.99 105.19 107.06 2da6 n GLY 52 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2da6 n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2da6 n VAL 53 N -1.22 0.00 -3.78 1.61 0.31 0.64 -4.79 118.33 111.09 2da6 n VAL 53 Ca 0.00 -0.31 -0.37 0.00 -0.01 0.00 0.00 64.34 63.65 2da6 n VAL 53 Cb 0.00 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.63 6.50 0.00 4.52 0.15 -1.26 -3.22 113.70 117.76 2da6 s SER 54 Ca 0.68 0.59 0.15 0.00 0.70 0.00 0.00 55.95 58.07 2da6 s SER 54 Cb -0.20 -2.11 0.85 0.00 -1.71 0.00 0.00 66.02 62.84 2da6 s SER 54 CO 0.62 0.36 1.37 -0.81 1.20 0.00 0.00 173.24 175.99 2da6 n PRO 55 N 1.78 0.36 -0.00 5.44 -0.04 -1.26 -1.87 135.00 139.41 2da6 n PRO 55 Ca -0.17 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2da6 n PRO 55 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.13 0.95 -1.22 3.54 2.88 -1.26 -4.29 113.62 113.09 2da6 n SER 56 Ca 0.10 -0.95 -0.07 0.00 -1.33 0.00 0.00 58.87 56.61 2da6 n SER 56 Cb 0.08 1.04 0.14 0.00 -0.75 0.00 0.00 64.21 64.72 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 -1.53 2.36 0.29 -1.46 4.76 -0.78 -4.74 118.16 117.07 2da6 n LYS 57 Ca 0.04 -3.60 0.15 0.00 -2.87 0.00 0.00 58.31 52.03 2da6 n LYS 57 Cb 0.34 -1.90 0.89 0.00 -1.84 0.00 0.00 35.03 32.52 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 1.44 1.47 0.00 7.82 0.00 -1.74 -1.90 119.26 126.34 2da6 h ALA 58 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2da6 h ALA 58 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2da6 h ALA 58 CO 0.36 0.03 0.36 1.12 0.00 0.00 0.00 179.25 181.13 2da6 h HIS 59 N 0.00 0.00 0.01 0.00 2.07 -1.93 0.33 115.15 115.62 2da6 h HIS 59 Ca -0.00 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.31 2da6 h HIS 59 Cb 0.06 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.01 2da6 h HIS 59 CO 0.00 0.00 -0.99 0.78 -3.07 0.00 0.00 177.93 174.65 2da6 h GLY 60 N 0.00 0.03 -1.09 6.13 0.00 -1.75 -3.31 103.07 103.08 2da6 h GLY 60 Ca 0.00 -0.07 0.36 0.00 0.00 0.00 0.00 47.33 47.62 2da6 h GLY 60 CO 0.00 0.06 0.72 1.04 0.00 0.00 0.00 176.54 178.36 2da6 n LEU 61 N -3.40 0.13 0.00 3.11 4.77 0.11 -4.69 117.00 117.03 2da6 n LEU 61 Ca -0.01 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 2da6 n LEU 61 Cb 0.92 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2da6 n LEU 61 CO 0.47 -1.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 2da6 n GLY 62 N -1.43 2.27 0.10 -0.72 0.00 -1.25 -0.40 105.19 103.76 2da6 n GLY 62 Ca 0.30 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.77 2da6 n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2da6 n SER 63 N 9.24 0.39 -1.10 1.61 7.64 -1.26 -0.78 113.62 129.35 2da6 n SER 63 Ca 0.00 0.65 0.08 0.00 1.01 0.00 0.00 58.87 60.61 2da6 n SER 63 Cb 0.00 -0.71 0.28 0.00 -1.01 0.00 0.00 64.21 62.77 2da6 n SER 63 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2da6 n ASN 64 N -1.99 4.15 -4.79 6.43 5.15 0.47 -4.55 115.26 120.13 2da6 n ASN 64 Ca 0.00 -2.80 -0.39 0.00 -0.60 0.00 0.00 54.58 50.79 2da6 n ASN 64 Cb 0.08 -0.53 -0.06 0.00 -0.53 0.00 0.00 39.78 38.74 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 -2.45 4.56 0.05 1.20 2.96 0.04 -4.86 118.68 120.18 2da6 s LEU 65 Ca 0.42 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 55.79 2da6 s LEU 65 Cb 0.32 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2da6 s LEU 65 CO 0.13 0.23 0.22 -0.69 -1.32 0.00 0.00 176.35 174.92 2da6 s VAL 66 N -1.07 5.37 0.07 1.68 1.01 -1.26 -4.97 120.40 121.23 2da6 s VAL 66 Ca 0.33 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2da6 s VAL 66 Cb -0.21 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2da6 s VAL 66 CO 0.23 0.18 0.32 0.42 0.00 0.00 0.00 175.10 176.24 2da6 s THR 67 N -1.48 0.09 0.26 3.92 -4.23 -1.26 -4.90 115.64 108.04 2da6 s THR 67 Ca 0.34 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 2da6 s THR 67 Cb -0.13 -1.06 0.30 0.00 1.34 0.00 0.00 72.50 72.95 2da6 s THR 67 CO 0.25 -0.40 1.22 1.21 -0.54 0.00 0.00 174.62 176.37 2da6 n GLU 68 N 0.27 -0.05 0.33 3.99 2.13 -1.26 0.52 120.64 126.58 2da6 n GLU 68 Ca -0.17 1.11 -0.16 0.00 0.66 0.00 0.00 57.16 58.60 2da6 n GLU 68 Cb 0.61 -1.89 -0.08 0.00 0.27 0.00 0.00 31.44 30.35 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 0.32 -0.98 6.31 2.07 -1.98 -1.53 116.25 120.45 2da6 h VAL 69 Ca 0.57 -0.19 0.23 0.00 0.82 0.00 0.00 66.70 68.13 2da6 h VAL 69 Cb 1.37 0.38 -0.19 0.00 -1.52 0.00 0.00 31.29 31.33 2da6 h VAL 69 CO -0.66 0.02 -0.12 0.03 0.02 0.00 0.00 177.57 176.86 2da6 h ARG 70 N -0.98 0.00 -0.44 1.57 2.47 -0.31 0.89 114.38 117.58 2da6 h ARG 70 Ca -0.09 -0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.51 2da6 h ARG 70 Cb 0.69 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 2da6 h ARG 70 CO 0.14 0.00 -0.21 0.28 0.56 0.00 0.00 179.97 180.74 2da6 h VAL 71 N 0.00 1.27 -0.75 2.04 2.07 -1.37 -2.18 116.25 117.33 2da6 h VAL 71 Ca 0.53 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.72 2da6 h VAL 71 Cb 0.96 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2da6 h VAL 71 CO -0.97 0.46 0.50 0.22 0.02 0.00 0.00 177.57 177.80 2da6 h TYR 72 N 0.77 0.91 -0.07 1.57 5.03 0.18 -0.80 116.97 124.55 2da6 h TYR 72 Ca 0.10 0.02 -0.15 0.00 2.58 0.00 0.00 58.73 61.28 2da6 h TYR 72 Cb 0.76 -0.31 0.01 0.00 1.55 0.00 0.00 36.73 38.74 2da6 h TYR 72 CO 0.04 0.55 -0.55 -0.91 -1.32 0.00 0.00 178.16 175.97 2da6 h ASN 73 N 0.96 0.61 -0.96 -2.11 2.35 -0.83 -2.19 115.58 113.41 2da6 h ASN 73 Ca 0.29 -0.68 0.02 0.00 -0.55 0.00 0.00 56.30 55.39 2da6 h ASN 73 Cb -0.01 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.12 2da6 h ASN 73 CO -0.08 1.19 0.63 -0.25 -1.65 0.00 0.00 177.43 177.28 2da6 h TRP 74 N 0.08 1.19 -0.13 1.19 7.01 -0.98 -2.08 115.95 122.23 2da6 h TRP 74 Ca -0.05 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.81 2da6 h TRP 74 Cb 1.21 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 2da6 h TRP 74 CO 0.12 0.72 -0.62 0.74 -2.79 0.00 0.00 178.44 176.61 2da6 h PHE 75 N 1.26 0.59 -0.63 2.65 -1.00 -1.19 -2.85 116.94 115.76 2da6 h PHE 75 Ca 0.37 -0.23 0.02 0.00 2.81 0.00 0.00 57.97 60.94 2da6 h PHE 75 Cb -0.07 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.35 2da6 h PHE 75 CO -0.01 0.95 0.40 0.00 -1.61 0.00 0.00 178.31 178.05 2da6 h ALA 76 N 0.99 0.81 -0.34 2.45 0.00 -0.73 -1.01 119.26 121.43 2da6 h ALA 76 Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2da6 h ALA 76 Cb 1.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2da6 h ALA 76 CO 0.11 0.18 -0.27 -0.97 0.00 0.00 0.00 179.25 178.30 2da6 h ASN 77 N 0.81 0.70 0.67 0.00 -0.73 -1.40 0.20 115.58 115.82 2da6 h ASN 77 Ca 0.24 -0.26 -0.04 0.00 1.87 0.00 0.00 56.30 58.11 2da6 h ASN 77 Cb -0.04 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 2da6 h ASN 77 CO -0.08 0.94 -0.19 0.03 -0.37 0.00 0.00 177.43 177.76 2da6 h ARG 78 N 0.59 0.00 0.00 6.67 2.47 -1.19 -1.63 114.38 121.30 2da6 h ARG 78 Ca 0.08 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 2da6 h ARG 78 Cb 0.76 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 2da6 h ARG 78 CO 0.06 0.19 -1.73 0.54 0.56 0.00 0.00 179.97 179.60 2da6 n ARG 79 N -3.51 0.65 0.12 0.04 1.74 -0.43 -3.71 116.66 111.55 2da6 n ARG 79 Ca -0.01 -0.03 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 2da6 n ARG 79 Cb 0.35 -1.64 -0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.00 0.15 5.56 1.57 -0.34 -3.16 116.57 120.34 2da6 h LYS 80 Ca -0.10 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.48 2da6 h LYS 80 Cb 1.26 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.59 2da6 h LYS 80 CO 0.01 0.54 -0.86 1.05 -0.57 0.00 0.00 179.45 179.62 2da6 h GLU 81 N 0.00 0.31 -0.71 3.15 4.11 -1.46 -2.34 114.58 117.63 2da6 h GLU 81 Ca -0.02 -0.53 0.03 0.00 0.07 0.00 0.00 59.36 58.91 2da6 h GLU 81 Cb 1.45 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.86 2da6 h GLU 81 CO 0.07 1.25 0.47 1.05 0.07 0.00 0.00 179.01 181.92 2da6 h GLU 82 N -0.35 0.86 0.00 1.06 4.11 -1.67 -1.21 114.58 117.39 2da6 h GLU 82 Ca -0.15 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.22 2da6 h GLU 82 Cb 1.67 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 2da6 h GLU 82 CO 0.15 0.57 -0.32 0.00 0.07 0.00 0.00 179.01 179.48 2da6 h ALA 83 N 1.58 0.84 0.02 1.06 0.00 -1.64 -3.38 119.26 117.73 2da6 h ALA 83 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2da6 h ALA 83 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2da6 h ALA 83 CO -0.07 0.03 -0.03 0.35 0.00 0.00 0.00 179.25 179.53 2da6 h PHE 84 N 0.00 -0.08 -0.63 0.00 3.04 -0.63 0.61 116.94 119.25 2da6 h PHE 84 Ca -0.00 0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.13 2da6 h PHE 84 Cb 1.02 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.54 2da6 h PHE 84 CO 0.00 -0.03 1.00 0.00 -2.02 0.00 0.00 178.31 177.26 2da6 h ARG 85 N -0.05 0.00 0.07 1.11 3.08 -1.73 1.67 114.38 118.53 2da6 h ARG 85 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 2da6 h ARG 85 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2da6 h ARG 85 CO -0.01 0.00 -1.83 1.96 -1.07 0.00 0.00 179.97 179.02 2da6 h GLN 86 N 0.00 0.14 -0.36 0.04 1.08 -1.32 -3.33 115.11 111.36 2da6 h GLN 86 Ca 0.30 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2da6 h GLN 86 Cb 2.30 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.81 2da6 h GLN 86 CO -0.00 0.87 -0.15 -0.22 -0.95 0.00 0.00 178.83 178.38 2da6 h LYS 87 N 0.04 0.75 0.00 1.46 3.11 0.80 -2.40 116.57 120.32 2da6 h LYS 87 Ca -0.34 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.18 2da6 h LYS 87 Cb 2.02 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.23 2da6 h LYS 87 CO 0.09 0.92 0.00 1.47 -2.81 0.00 0.00 179.45 179.13 2da6 n LEU 88 N -4.32 0.00 -0.06 5.20 -0.00 -0.24 -1.93 117.00 115.65 2da6 n LEU 88 Ca -0.02 0.42 -0.13 0.00 -0.00 0.00 0.00 56.01 56.28 2da6 n LEU 88 Cb 0.39 -0.42 -0.14 0.00 -0.00 0.00 0.00 43.42 43.25 2da6 n LEU 88 CO 0.43 -0.24 -0.92 0.00 -0.00 0.00 0.00 177.39 176.66 2da6 n ALA 89 N -1.42 1.39 0.83 1.47 0.00 -0.95 -4.17 120.51 117.67 2da6 n ALA 89 Ca 0.04 -0.99 0.13 0.00 0.00 0.00 0.00 53.44 52.61 2da6 n ALA 89 Cb 0.13 -0.47 0.37 0.00 0.00 0.00 0.00 19.45 19.48 2da6 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2da6 n MET 90 N -3.04 0.11 -2.79 0.00 0.00 -0.95 -4.88 117.12 105.58 2da6 n MET 90 Ca -0.30 0.06 -0.21 0.00 0.00 0.00 0.00 57.70 57.26 2da6 n MET 90 Cb 1.08 -1.60 0.06 0.00 0.00 0.00 0.00 33.22 32.76 2da6 n MET 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2da6 s ASP 91 N -3.55 5.04 -0.15 3.17 2.15 -0.81 -5.05 116.67 117.46 2da6 s ASP 91 Ca 0.11 -0.39 0.11 0.00 0.43 0.00 0.00 52.55 52.81 2da6 s ASP 91 Cb 0.16 -0.31 -0.17 0.00 -0.30 0.00 0.00 42.92 42.31 2da6 s ASP 91 CO 0.64 -1.33 0.01 0.00 -0.17 0.00 0.00 175.17 174.32 2da6 n ALA 92 N -2.37 1.64 -3.57 3.66 0.00 -1.26 -4.82 120.51 113.79 2da6 n ALA 92 Ca 0.12 -0.93 -0.40 0.00 0.00 0.00 0.00 53.44 52.22 2da6 n ALA 92 Cb 0.60 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 2da6 n ALA 92 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2da6 s TYR 93 N -2.35 3.53 -0.22 0.00 6.14 -1.26 -4.87 117.35 118.32 2da6 s TYR 93 Ca -0.10 -2.38 -0.16 0.00 0.64 0.00 0.00 57.07 55.07 2da6 s TYR 93 Cb 0.05 -3.44 -0.18 0.00 0.42 0.00 0.00 41.96 38.80 2da6 s TYR 93 CO 0.56 -0.91 0.05 -1.13 0.64 0.00 0.00 175.55 174.77 2da6 n SER 94 N 3.80 1.93 -3.27 4.32 3.41 -1.26 -4.96 113.62 117.59 2da6 n SER 94 Ca 0.08 0.33 -0.40 0.00 -0.26 0.00 0.00 58.87 58.62 2da6 n SER 94 Cb 0.41 -0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 63.44 2da6 n SER 94 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2da6 n SER 95 N -4.16 -0.36 -3.52 4.04 3.41 -1.26 -4.94 113.62 106.83 2da6 n SER 95 Ca -0.39 0.84 -0.08 0.00 -0.26 0.00 0.00 58.87 58.97 2da6 n SER 95 Cb 0.81 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2da6 n SER 95 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2da6 s ASN 96 N -0.28 -0.38 -0.32 4.04 2.47 -1.26 -5.14 114.94 114.07 2da6 s ASN 96 Ca 0.59 -0.06 -0.13 0.00 0.42 0.00 0.00 52.86 53.69 2da6 s ASN 96 Cb -0.84 0.44 -0.03 0.00 -1.45 0.00 0.00 41.25 39.38 2da6 s ASN 96 CO 0.41 -0.73 0.25 -0.94 -3.72 0.00 0.00 177.10 172.37 2da6 s SER 97 N -2.59 6.07 0.91 -4.21 1.04 -1.26 -5.08 113.70 108.59 2da6 s SER 97 Ca 0.05 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.13 2da6 s SER 97 Cb -0.01 -2.14 0.14 0.00 0.10 0.00 0.00 66.02 64.11 2da6 s SER 97 CO -0.08 -0.19 1.09 -0.83 0.98 0.00 0.00 173.24 174.21 2da6 s GLY 98 N 1.73 1.62 0.07 7.32 0.00 -1.26 -4.97 107.32 111.83 2da6 s GLY 98 Ca 0.07 0.05 -0.18 0.00 0.00 0.00 0.00 44.72 44.67 2da6 s GLY 98 CO 0.11 0.54 1.38 -0.56 0.00 0.00 0.00 173.10 174.57 2da6 h PRO 99 N -1.66 0.52 -0.74 2.90 0.13 -1.98 -3.30 132.00 127.87 2da6 h PRO 99 Ca -0.49 -0.27 0.08 0.00 -0.87 0.00 0.00 66.00 64.45 2da6 h PRO 99 Cb 1.28 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 2da6 h PRO 99 CO 0.52 0.85 -0.54 0.77 -0.23 0.00 0.00 178.00 179.38 2da6 h SER 100 N 0.20 -1.90 -3.88 1.44 0.02 -2.05 -3.38 113.55 104.00 2da6 h SER 100 Ca 0.03 0.29 -0.50 0.00 -0.84 0.00 0.00 61.79 60.77 2da6 h SER 100 Cb 0.76 0.83 0.03 0.00 0.14 0.00 0.00 62.40 64.16 2da6 h SER 100 CO 0.05 -0.31 0.49 -0.55 -1.14 0.00 0.00 176.83 175.37 2da6 s SER 101 N -5.29 6.90 0.00 3.07 0.15 -1.24 -5.30 113.70 111.99 2da6 s SER 101 Ca -0.13 2.29 0.32 0.00 0.70 0.00 0.00 55.95 59.13 2da6 s SER 101 Cb 0.11 -2.62 1.90 0.00 -1.71 0.00 0.00 66.02 63.71 2da6 s SER 101 CO 0.63 -0.41 2.23 0.61 1.20 0.00 0.00 173.24 177.50