#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 n SER 2 N 0.00 -3.71 -4.29 1.61 2.88 -1.26 -4.96 113.62 103.89 2d90 n SER 2 Ca 0.00 -0.60 -0.44 0.00 -1.33 0.00 0.00 58.87 56.51 2d90 n SER 2 Cb 0.00 -5.06 -0.07 0.00 -0.75 0.00 0.00 64.21 58.33 2d90 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d90 s SER 3 N -3.95 5.97 0.00 -3.46 0.01 -1.26 -4.96 113.70 106.05 2d90 s SER 3 Ca 0.23 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.78 2d90 s SER 3 Cb -0.10 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2d90 s SER 3 CO 0.73 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2d90 n GLY 4 N 5.10 3.32 3.52 3.44 0.00 -1.26 -5.16 105.19 114.16 2d90 n GLY 4 Ca -0.11 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2d90 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d90 s SER 5 N 0.00 -0.15 0.02 1.61 0.15 -1.26 -5.18 113.70 108.89 2d90 s SER 5 Ca 0.00 -0.69 0.05 0.00 0.70 0.00 0.00 55.95 56.02 2d90 s SER 5 Cb 0.00 0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2d90 s SER 5 CO 0.00 -1.06 -0.16 -0.55 1.20 0.00 0.00 173.24 172.68 2d90 s SER 6 N -2.93 1.83 -0.01 5.45 0.15 -1.26 -5.00 113.70 111.93 2d90 s SER 6 Ca 0.14 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 2d90 s SER 6 Cb -0.00 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2d90 s SER 6 CO 0.01 0.13 0.03 0.61 1.20 0.00 0.00 173.24 175.22 2d90 n GLY 7 N 2.29 -5.21 3.93 9.45 0.00 -1.26 -5.02 105.19 109.37 2d90 n GLY 7 Ca -0.16 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 2d90 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d90 s ARG 8 N -0.87 2.38 -0.13 1.61 1.70 -0.75 -4.90 118.95 117.99 2d90 s ARG 8 Ca -0.04 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.02 2d90 s ARG 8 Cb 0.00 -2.20 -0.01 0.00 -0.57 0.00 0.00 34.95 32.17 2d90 s ARG 8 CO 0.10 -1.09 -0.16 0.08 -1.08 0.00 0.00 175.30 173.14 2d90 s VAL 9 N -3.17 2.75 0.16 4.99 1.01 -1.26 -3.00 120.40 121.88 2d90 s VAL 9 Ca 0.59 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.89 2d90 s VAL 9 Cb -0.11 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2d90 s VAL 9 CO 0.45 0.53 -0.12 -0.69 0.00 0.00 0.00 175.10 175.26 2d90 s VAL 10 N 0.42 3.07 -0.04 2.92 1.01 0.10 -4.95 120.40 122.93 2d90 s VAL 10 Ca -0.12 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 2d90 s VAL 10 Cb -0.16 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2d90 s VAL 10 CO 0.06 -0.04 0.04 -0.69 0.00 0.00 0.00 175.10 174.46 2d90 s VAL 11 N -1.54 -0.00 0.12 2.92 1.01 -1.26 -0.89 120.40 120.76 2d90 s VAL 11 Ca 0.23 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2d90 s VAL 11 Cb -0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2d90 s VAL 11 CO 0.14 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.68 2d90 s ILE 12 N 1.80 1.03 -0.18 2.22 1.01 -1.10 -4.60 121.20 121.37 2d90 s ILE 12 Ca 0.01 -1.89 -0.04 0.00 0.00 0.00 0.00 60.65 58.73 2d90 s ILE 12 Cb -0.12 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 40.76 2d90 s ILE 12 CO -0.03 -0.69 0.06 -0.54 0.00 0.00 0.00 174.94 173.74 2d90 s LYS 13 N -3.40 0.35 0.28 2.79 1.02 -1.26 -1.88 119.74 117.64 2d90 s LYS 13 Ca 0.12 -0.23 -0.27 0.00 0.02 0.00 0.00 55.97 55.61 2d90 s LYS 13 Cb 0.01 -1.93 -0.15 0.00 -0.52 0.00 0.00 37.83 35.24 2d90 s LYS 13 CO -0.00 -0.64 0.77 1.17 -0.92 0.00 0.00 175.35 175.72 2d90 n LYS 14 N 5.17 0.77 0.00 1.68 4.81 -0.21 -4.86 118.16 125.51 2d90 n LYS 14 Ca -0.08 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2d90 n LYS 14 Cb 0.48 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.03 2d90 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d90 n GLY 15 N 1.57 1.37 0.02 3.14 0.00 -0.99 -4.90 105.19 105.40 2d90 n GLY 15 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2d90 n GLY 15 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d90 h SER 16 N 0.00 0.00 0.23 1.61 0.87 -2.01 -3.42 113.55 110.83 2d90 h SER 16 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2d90 h SER 16 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2d90 h SER 16 CO 0.00 0.17 -0.11 0.78 -0.53 0.00 0.00 176.83 177.13 2d90 h ASN 17 N -0.25 -0.26 0.00 6.23 2.35 -2.02 -3.50 115.58 118.13 2d90 h ASN 17 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2d90 h ASN 17 Cb 0.08 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2d90 h ASN 17 CO 0.00 0.14 0.00 0.61 -1.65 0.00 0.00 177.43 176.53 2d90 n GLY 18 N -0.10 -0.67 0.08 2.83 0.00 -1.26 -5.04 105.19 101.02 2d90 n GLY 18 Ca -0.09 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2d90 n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d90 n TYR 19 N 0.00 0.84 0.00 1.61 4.01 -1.26 -2.34 117.16 120.02 2d90 n TYR 19 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 2d90 n TYR 19 Cb 0.00 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 2d90 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d90 n GLY 20 N 1.59 1.36 3.41 2.72 0.00 -1.26 -2.61 105.19 110.40 2d90 n GLY 20 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2d90 n GLY 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d90 s PHE 21 N -1.73 2.43 0.42 1.61 -0.71 -1.26 -1.68 117.98 117.06 2d90 s PHE 21 Ca 0.00 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.63 2d90 s PHE 21 Cb 0.00 -1.40 -0.03 0.00 -1.21 0.00 0.00 43.02 40.38 2d90 s PHE 21 CO 0.00 0.22 0.29 0.71 -1.34 0.00 0.00 175.22 175.10 2d90 s TYR 22 N -0.91 2.59 0.04 3.49 1.51 -1.11 -4.99 117.35 117.98 2d90 s TYR 22 Ca 0.14 -0.56 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 2d90 s TYR 22 Cb -0.10 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2d90 s TYR 22 CO 0.04 -0.02 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.77 2d90 s LEU 23 N -4.04 2.17 0.03 -1.29 1.43 -1.25 -3.36 118.68 112.36 2d90 s LEU 23 Ca 0.44 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2d90 s LEU 23 Cb -0.00 -0.84 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2d90 s LEU 23 CO 0.25 0.12 -0.09 -0.60 0.23 0.00 0.00 176.35 176.25 2d90 s ARG 24 N -1.17 0.65 -0.74 1.70 6.06 0.20 -4.92 118.95 120.74 2d90 s ARG 24 Ca 0.05 -0.61 -0.26 0.00 -2.50 0.00 0.00 55.73 52.41 2d90 s ARG 24 Cb -0.08 -0.56 0.00 0.00 0.06 0.00 0.00 34.95 34.37 2d90 s ARG 24 CO 0.02 0.13 1.60 0.00 -2.50 0.00 0.00 175.30 174.55 2d90 s ALA 25 N -0.86 2.39 1.02 6.12 0.00 -1.26 -2.02 121.76 127.16 2d90 s ALA 25 Ca -0.03 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 2d90 s ALA 25 Cb -0.07 -4.34 0.20 0.00 0.00 0.00 0.00 23.12 18.91 2d90 s ALA 25 CO 0.01 -3.74 1.07 0.20 0.00 0.00 0.00 175.76 173.30 2d90 s GLY 26 N 6.08 1.58 0.00 0.00 0.00 -1.26 -5.00 107.32 108.72 2d90 s GLY 26 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2d90 s GLY 26 CO 0.13 0.48 0.00 -1.55 0.00 0.00 0.00 173.10 172.16 2d90 n PRO 27 N -4.37 0.22 -0.42 2.90 -0.04 -1.26 -4.72 135.00 127.30 2d90 n PRO 27 Ca 0.05 0.00 0.34 0.00 -0.04 0.00 0.00 63.50 63.85 2d90 n PRO 27 Cb 0.55 0.00 0.54 0.00 -0.04 0.00 0.00 33.50 34.55 2d90 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2d90 n GLU 28 N -0.59 -0.01 -1.75 0.54 -0.00 -1.26 -4.35 120.64 113.22 2d90 n GLU 28 Ca 0.00 0.86 -0.42 0.00 -0.00 0.00 0.00 57.16 57.60 2d90 n GLU 28 Cb 0.00 -1.81 -0.01 0.00 -0.00 0.00 0.00 31.44 29.61 2d90 n GLU 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d90 n GLN 29 N -3.81 2.69 -2.84 3.44 10.64 -1.26 -4.96 117.38 121.27 2d90 n GLN 29 Ca 0.31 0.95 -0.40 0.00 -1.83 0.00 0.00 57.00 56.03 2d90 n GLN 29 Cb 1.29 -2.73 -0.05 0.00 -0.86 0.00 0.00 30.24 27.89 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2d90 s LYS 30 N -0.78 4.67 0.00 2.61 -0.14 -1.26 -4.75 119.74 120.09 2d90 s LYS 30 Ca 0.62 1.32 0.00 0.00 -1.36 0.00 0.00 55.97 56.55 2d90 s LYS 30 Cb -0.49 -3.32 0.00 0.00 -1.68 0.00 0.00 37.83 32.33 2d90 s LYS 30 CO 0.51 0.39 0.00 0.41 -0.76 0.00 0.00 175.35 175.90 2d90 n GLY 31 N 1.94 3.46 3.87 -3.33 0.00 -1.22 -4.75 105.19 105.15 2d90 n GLY 31 Ca -0.02 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 2d90 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d90 s GLN 32 N -3.45 3.70 0.01 1.61 -1.52 -0.78 -4.09 119.66 115.12 2d90 s GLN 32 Ca 0.00 0.12 -0.09 0.00 -1.95 0.00 0.00 55.36 53.44 2d90 s GLN 32 Cb 0.00 -3.11 -0.05 0.00 -0.22 0.00 0.00 33.01 29.63 2d90 s GLN 32 CO 0.00 0.65 0.31 0.42 -0.25 0.00 0.00 175.29 176.42 2d90 s ILE 33 N -1.23 5.23 -0.11 1.08 1.01 -0.86 -0.45 121.20 125.87 2d90 s ILE 33 Ca 0.26 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 2d90 s ILE 33 Cb -0.14 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2d90 s ILE 33 CO 0.14 0.42 0.04 -0.63 0.00 0.00 0.00 174.94 174.92 2d90 s ILE 34 N -1.25 4.66 0.18 2.92 1.01 -0.32 -0.63 121.20 127.77 2d90 s ILE 34 Ca 0.26 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.57 2d90 s ILE 34 Cb -0.14 -3.00 0.06 0.00 0.01 0.00 0.00 42.46 39.39 2d90 s ILE 34 CO 0.14 0.59 0.67 -1.59 0.00 0.00 0.00 174.94 174.76 2d90 s LYS 35 N -0.75 1.37 -0.81 2.79 -2.85 -1.21 0.11 119.74 118.39 2d90 s LYS 35 Ca 0.12 -0.60 -0.04 0.00 -1.00 0.00 0.00 55.97 54.44 2d90 s LYS 35 Cb -0.12 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2d90 s LYS 35 CO 0.03 -0.61 0.70 -3.47 0.10 0.00 0.00 175.35 172.09 2d90 n ASP 36 N -0.39 -4.14 -4.74 0.03 2.03 -1.26 -2.74 116.55 105.34 2d90 n ASP 36 Ca -0.12 -0.34 -0.41 0.00 0.52 0.00 0.00 54.79 54.43 2d90 n ASP 36 Cb 0.63 -3.27 -0.03 0.00 -0.72 0.00 0.00 41.12 37.73 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2d90 s ILE 37 N -3.20 2.91 0.07 5.18 1.01 -1.26 -4.62 121.20 121.28 2d90 s ILE 37 Ca 0.28 0.76 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 2d90 s ILE 37 Cb -0.13 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 2d90 s ILE 37 CO 0.44 0.12 0.44 -1.61 0.00 0.00 0.00 174.94 174.33 2d90 s GLU 38 N -0.29 3.87 0.52 2.79 2.02 -0.68 -5.04 118.70 121.89 2d90 s GLU 38 Ca 0.58 0.33 -0.20 0.00 0.02 0.00 0.00 54.97 55.70 2d90 s GLU 38 Cb -0.39 -3.06 -0.06 0.00 0.10 0.00 0.00 34.13 30.71 2d90 s GLU 38 CO 0.41 0.59 1.14 -1.25 0.02 0.00 0.00 175.26 176.17 2d90 s PRO 39 N -1.63 3.45 -0.82 0.39 0.04 -1.26 -2.96 135.00 132.21 2d90 s PRO 39 Ca 0.31 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2d90 s PRO 39 Cb -0.15 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2d90 s PRO 39 CO 0.17 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2d90 n GLY 40 N 0.23 0.74 3.90 0.56 0.00 -1.26 -4.91 105.19 104.44 2d90 n GLY 40 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2d90 n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d90 s SER 41 N -1.71 6.45 0.61 1.61 1.04 -1.16 -4.85 113.70 115.69 2d90 s SER 41 Ca 0.00 0.85 0.26 0.00 0.48 0.00 0.00 55.95 57.54 2d90 s SER 41 Cb 0.00 -2.20 1.23 0.00 0.10 0.00 0.00 66.02 65.14 2d90 s SER 41 CO 0.00 -0.30 1.66 -0.65 0.98 0.00 0.00 173.24 174.93 2d90 h PRO 42 N 1.36 0.00 0.08 4.02 0.11 -1.84 0.22 132.00 135.95 2d90 h PRO 42 Ca -0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2d90 h PRO 42 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.65 0.00 -0.57 0.00 -0.21 0.00 0.00 178.00 177.87 2d90 h ALA 43 N 1.06 -0.01 -0.07 -0.75 0.00 -1.82 -2.80 119.26 114.87 2d90 h ALA 43 Ca 0.24 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2d90 h ALA 43 Cb 1.67 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 2d90 h ALA 43 CO -0.00 0.29 -0.46 1.49 0.00 0.00 0.00 179.25 180.56 2d90 h GLU 44 N -0.65 0.17 0.00 0.00 4.57 -1.00 -2.49 114.58 115.18 2d90 h GLU 44 Ca -0.11 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 57.90 2d90 h GLU 44 Cb 1.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 2d90 h GLU 44 CO 0.06 0.60 -0.40 0.00 -1.18 0.00 0.00 179.01 178.10 2d90 h ALA 45 N 1.39 0.84 -0.00 2.92 0.00 -0.81 -3.14 119.26 120.46 2d90 h ALA 45 Ca 0.01 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2d90 h ALA 45 Cb 0.88 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2d90 h ALA 45 CO 0.07 0.50 -0.72 0.00 0.00 0.00 0.00 179.25 179.09 2d90 h ALA 46 N 1.60 0.80 0.00 0.00 0.00 -1.21 -3.47 119.26 116.98 2d90 h ALA 46 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2d90 h ALA 46 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2d90 h ALA 46 CO 0.05 0.90 0.00 0.41 0.00 0.00 0.00 179.25 180.61 2d90 n GLY 47 N 0.55 1.49 2.70 0.00 0.00 -1.13 -4.67 105.19 104.13 2d90 n GLY 47 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2d90 n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d90 n LEU 48 N 0.00 0.00 -3.65 0.99 4.77 -0.96 -5.05 117.00 113.09 2d90 n LEU 48 Ca 0.00 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.33 2d90 n LEU 48 Cb 0.00 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 2d90 n LEU 48 CO 0.00 -2.45 0.32 -0.54 -1.33 0.00 0.00 177.39 173.40 2d90 s LYS 49 N -3.86 0.72 0.61 3.23 1.02 -1.26 -4.95 119.74 115.25 2d90 s LYS 49 Ca 0.41 0.98 -0.18 0.00 0.02 0.00 0.00 55.97 57.19 2d90 s LYS 49 Cb -0.07 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 2d90 s LYS 49 CO 0.34 -0.11 0.98 0.09 -0.92 0.00 0.00 175.35 175.73 2d90 n ASN 50 N 3.26 0.82 -3.75 2.83 4.13 -1.26 -2.59 115.26 118.69 2d90 n ASN 50 Ca -0.16 0.80 -0.26 0.00 1.68 0.00 0.00 54.58 56.64 2d90 n ASN 50 Cb 0.56 -1.40 0.05 0.00 -1.54 0.00 0.00 39.78 37.46 2d90 n ASN 50 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2d90 n ASN 51 N -0.86 -4.71 -4.69 6.41 3.02 0.31 -4.94 115.26 109.81 2d90 n ASN 51 Ca 0.14 -0.69 -0.38 0.00 -0.03 0.00 0.00 54.58 53.61 2d90 n ASN 51 Cb 0.47 -4.37 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 2d90 n ASN 51 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2d90 s ASP 52 N -3.51 6.55 -0.33 6.41 1.11 -1.07 -4.45 116.67 121.37 2d90 s ASP 52 Ca 0.51 0.65 -0.17 0.00 0.18 0.00 0.00 52.55 53.73 2d90 s ASP 52 Cb -0.25 -2.26 -0.01 0.00 1.07 0.00 0.00 42.92 41.47 2d90 s ASP 52 CO 0.79 -0.08 0.45 -0.22 1.18 0.00 0.00 175.17 177.29 2d90 s LEU 53 N 1.16 4.33 -0.28 1.23 2.96 -1.25 -1.18 118.68 125.66 2d90 s LEU 53 Ca 0.22 -0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 2d90 s LEU 53 Cb -0.15 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2d90 s LEU 53 CO 0.09 -0.40 0.39 -0.69 -1.32 0.00 0.00 176.35 174.42 2d90 s VAL 54 N 2.24 5.15 -0.16 1.68 1.01 0.40 -0.91 120.40 129.81 2d90 s VAL 54 Ca 0.16 0.54 0.12 0.00 0.00 0.00 0.00 61.98 62.80 2d90 s VAL 54 Cb -0.16 -3.74 -0.23 0.00 0.00 0.00 0.00 36.38 32.25 2d90 s VAL 54 CO 0.12 0.11 0.19 1.33 0.00 0.00 0.00 175.10 176.85 2d90 n VAL 55 N 5.15 1.50 -4.09 2.92 0.24 -0.66 -1.87 118.33 121.52 2d90 n VAL 55 Ca -0.08 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.34 61.30 2d90 n VAL 55 Cb 0.50 -0.88 -0.12 0.00 -1.47 0.00 0.00 33.84 31.88 2d90 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d90 s ALA 56 N -2.53 0.71 -0.05 2.33 0.00 -1.21 -1.44 121.76 119.57 2d90 s ALA 56 Ca -0.14 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2d90 s ALA 56 Cb 0.07 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2d90 s ALA 56 CO 0.78 0.02 0.00 0.08 0.00 0.00 0.00 175.76 176.65 2d90 s VAL 57 N -1.35 0.24 -1.63 0.00 1.01 0.25 -1.23 120.40 117.69 2d90 s VAL 57 Ca -0.08 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2d90 s VAL 57 Cb -0.10 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2d90 s VAL 57 CO 0.01 0.20 0.28 0.59 0.00 0.00 0.00 175.10 176.18 2d90 n ASN 58 N 4.64 -5.81 -0.40 3.32 3.02 -0.17 -1.08 115.26 118.78 2d90 n ASN 58 Ca -0.16 -0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.21 2d90 n ASN 58 Cb 0.50 -4.78 -0.02 0.00 -0.61 0.00 0.00 39.78 34.88 2d90 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d90 n GLY 59 N -1.23 0.63 3.37 7.41 0.00 -1.26 -5.02 105.19 109.09 2d90 n GLY 59 Ca -0.18 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 2d90 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d90 s LYS 60 N -2.75 1.38 -0.29 1.61 -0.14 -0.24 -5.11 119.74 114.20 2d90 s LYS 60 Ca 0.00 -1.54 -0.24 0.00 -1.36 0.00 0.00 55.97 52.83 2d90 s LYS 60 Cb 0.00 -1.39 0.00 0.00 -1.68 0.00 0.00 37.83 34.76 2d90 s LYS 60 CO 0.00 0.27 0.84 -1.12 -0.76 0.00 0.00 175.35 174.57 2d90 s SER 61 N -3.01 6.74 -0.01 2.83 0.01 -1.26 -0.58 113.70 118.43 2d90 s SER 61 Ca 0.21 0.81 0.01 0.00 1.31 0.00 0.00 55.95 58.29 2d90 s SER 61 Cb -0.04 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2d90 s SER 61 CO 0.08 -0.62 0.02 1.33 0.41 0.00 0.00 173.24 174.47 2d90 n VAL 62 N 5.50 0.03 -0.33 3.43 0.24 -1.04 -4.65 118.33 121.51 2d90 n VAL 62 Ca 0.05 -0.04 0.35 0.00 -2.04 0.00 0.00 64.34 62.66 2d90 n VAL 62 Cb 0.48 -0.00 0.74 0.00 -1.47 0.00 0.00 33.84 33.58 2d90 n VAL 62 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2d90 h GLU 63 N 0.00 0.03 0.18 7.34 9.09 -1.47 0.44 114.58 130.19 2d90 h GLU 63 Ca -0.01 -0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.09 2d90 h GLU 63 Cb 0.40 -0.01 0.02 0.00 -1.65 0.00 0.00 28.75 27.51 2d90 h GLU 63 CO 0.00 0.02 -1.38 0.00 0.05 0.00 0.00 179.01 177.70 2d90 h ALA 64 N 1.42 -0.01 -1.97 1.06 0.00 -1.85 -3.23 119.26 114.68 2d90 h ALA 64 Ca 0.57 -0.89 -0.39 0.00 0.00 0.00 0.00 54.91 54.20 2d90 h ALA 64 Cb 2.23 0.11 0.21 0.00 0.00 0.00 0.00 17.79 20.34 2d90 h ALA 64 CO -0.03 0.86 -0.07 -0.51 0.00 0.00 0.00 179.25 179.50 2d90 s LEU 65 N -7.33 -0.81 0.00 0.00 1.43 0.16 -5.06 118.68 107.06 2d90 s LEU 65 Ca -0.07 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2d90 s LEU 65 Cb 0.06 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 44.03 2d90 s LEU 65 CO 0.91 -5.18 0.25 0.47 0.23 0.00 0.00 176.35 173.03 2d90 n ASP 66 N -5.50 2.71 -0.21 2.29 8.00 -1.26 -4.77 116.55 117.81 2d90 n ASP 66 Ca 0.13 -2.71 -0.06 0.00 0.71 0.00 0.00 54.79 52.86 2d90 n ASP 66 Cb 0.60 0.06 -0.05 0.00 -0.02 0.00 0.00 41.12 41.71 2d90 n ASP 66 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2d90 n HIS 67 N -1.46 -0.22 -0.29 1.24 -0.00 -1.26 0.11 115.22 113.34 2d90 n HIS 67 Ca -0.06 0.63 0.01 0.00 -0.00 0.00 0.00 57.72 58.29 2d90 n HIS 67 Cb 0.54 -0.53 0.14 0.00 -0.00 0.00 0.00 29.99 30.14 2d90 n HIS 67 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 2d90 h ASP 68 N 0.00 0.75 0.34 0.26 5.19 -1.97 -0.52 116.42 120.46 2d90 h ASP 68 Ca 0.08 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2d90 h ASP 68 Cb 0.21 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 2d90 h ASP 68 CO -0.47 0.47 -0.25 1.23 -3.12 0.00 0.00 179.24 177.10 2d90 h GLY 69 N 0.87 -0.87 0.40 2.75 0.00 -0.83 0.03 103.07 105.42 2d90 h GLY 69 Ca 0.36 0.37 0.04 0.00 0.00 0.00 0.00 47.33 48.11 2d90 h GLY 69 CO -0.19 -0.29 -0.20 -2.08 0.00 0.00 0.00 176.54 173.77 2d90 h VAL 70 N -0.56 0.50 -0.86 4.60 2.07 -0.25 -0.74 116.25 121.00 2d90 h VAL 70 Ca -0.05 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2d90 h VAL 70 Cb 0.46 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2d90 h VAL 70 CO 0.02 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.78 2d90 h VAL 71 N -0.27 0.65 0.49 2.57 2.07 -1.08 -1.92 116.25 118.75 2d90 h VAL 71 Ca 0.09 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2d90 h VAL 71 Cb 0.40 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2d90 h VAL 71 CO -0.26 0.04 -0.24 -0.08 0.02 0.00 0.00 177.57 177.06 2d90 h GLU 72 N 0.24 -0.64 -1.12 1.57 4.81 0.53 -2.26 114.58 117.71 2d90 h GLU 72 Ca 0.43 0.04 0.42 0.00 -0.13 0.00 0.00 59.36 60.13 2d90 h GLU 72 Cb 1.31 0.15 -0.16 0.00 0.63 0.00 0.00 28.75 30.68 2d90 h GLU 72 CO -0.11 -0.33 0.66 0.52 -0.73 0.00 0.00 179.01 179.01 2d90 h MET 73 N -0.94 0.06 -0.08 1.92 2.86 -0.91 0.72 114.93 118.56 2d90 h MET 73 Ca -0.07 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 2d90 h MET 73 Cb 0.60 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2d90 h MET 73 CO 0.11 0.04 -0.34 0.82 1.06 0.00 0.00 176.91 178.60 2d90 h ILE 74 N 0.06 1.41 -0.04 -1.22 2.04 -1.43 -2.92 117.51 115.42 2d90 h ILE 74 Ca 0.84 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 2d90 h ILE 74 Cb 2.33 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 40.68 2d90 h ILE 74 CO -0.64 0.50 0.02 0.03 0.00 0.00 0.00 178.15 178.07 2d90 h ARG 75 N -0.10 0.05 0.00 2.37 3.08 0.87 -1.34 114.38 119.32 2d90 h ARG 75 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2d90 h ARG 75 Cb 0.99 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2d90 h ARG 75 CO 0.07 0.08 0.00 0.36 -1.07 0.00 0.00 179.97 179.41 2d90 n LYS 76 N -5.04 0.01 -1.54 0.04 2.85 0.71 -3.23 118.16 111.96 2d90 n LYS 76 Ca -0.06 0.39 -0.28 0.00 -1.05 0.00 0.00 58.31 57.31 2d90 n LYS 76 Cb 0.05 -1.51 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 2d90 n LYS 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2d90 n GLY 77 N -0.83 4.46 7.00 2.58 0.00 -0.50 -5.00 105.19 112.89 2d90 n GLY 77 Ca 0.01 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2d90 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d90 n GLY 78 N 0.78 1.53 0.11 -0.02 0.00 -1.20 -3.35 105.19 103.05 2d90 n GLY 78 Ca 0.50 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2d90 n GLY 78 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d90 h ASP 79 N 3.84 0.35 -3.20 1.61 3.32 -1.90 -3.45 116.42 116.98 2d90 h ASP 79 Ca 0.00 -0.56 -0.64 0.00 0.02 0.00 0.00 57.03 55.85 2d90 h ASP 79 Cb 0.00 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.34 2d90 h ASP 79 CO 0.00 1.48 -0.63 0.00 -1.72 0.00 0.00 179.24 178.37 2d90 s GLN 80 N -2.60 2.72 0.09 3.56 -2.07 -1.21 -1.05 119.66 119.10 2d90 s GLN 80 Ca -0.11 -0.78 -0.25 0.00 -1.82 0.00 0.00 55.36 52.40 2d90 s GLN 80 Cb 0.07 -2.63 0.07 0.00 -1.09 0.00 0.00 33.01 29.43 2d90 s GLN 80 CO 0.83 0.54 0.60 -0.08 -1.32 0.00 0.00 175.29 175.87 2d90 s THR 81 N -1.40 0.01 -0.13 3.63 -1.32 -0.79 -4.80 115.64 110.84 2d90 s THR 81 Ca 0.28 -0.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.61 2d90 s THR 81 Cb -0.12 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 2d90 s THR 81 CO 0.20 -0.03 0.18 -0.89 -2.21 0.00 0.00 174.62 171.88 2d90 s THR 82 N -2.92 5.41 -0.07 5.08 2.01 -1.26 -2.71 115.64 121.18 2d90 s THR 82 Ca -0.03 0.31 0.05 0.00 0.31 0.00 0.00 61.69 62.33 2d90 s THR 82 Cb -0.01 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2d90 s THR 82 CO -0.06 0.55 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.45 2d90 s LEU 83 N -0.57 2.25 -0.39 4.42 1.43 -0.07 -1.00 118.68 124.75 2d90 s LEU 83 Ca 0.15 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2d90 s LEU 83 Cb -0.12 -1.44 0.10 0.00 0.03 0.00 0.00 46.19 44.76 2d90 s LEU 83 CO 0.04 0.24 0.18 -0.22 0.23 0.00 0.00 176.35 176.81 2d90 s LEU 84 N -0.11 5.09 0.10 1.79 2.96 -0.37 0.03 118.68 128.17 2d90 s LEU 84 Ca -0.04 -1.94 0.02 0.00 -0.22 0.00 0.00 54.13 51.94 2d90 s LEU 84 Cb -0.14 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2d90 s LEU 84 CO 0.04 -0.51 0.20 0.68 -1.32 0.00 0.00 176.35 175.45 2d90 s VAL 85 N 1.15 5.12 -0.13 1.68 -7.23 -1.16 -1.65 120.40 118.19 2d90 s VAL 85 Ca 0.07 -0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 59.49 2d90 s VAL 85 Cb -0.22 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 2d90 s VAL 85 CO -0.04 0.04 0.29 -0.22 -0.31 0.00 0.00 175.10 174.86 2d90 s LEU 86 N -2.78 4.30 0.00 1.32 1.98 -0.09 -1.82 118.68 121.60 2d90 s LEU 86 Ca 0.33 0.58 0.00 0.00 -2.89 0.00 0.00 54.13 52.15 2d90 s LEU 86 Cb -0.12 -2.37 0.00 0.00 0.66 0.00 0.00 46.19 44.36 2d90 s LEU 86 CO 0.27 0.18 0.37 -0.67 -1.89 0.00 0.00 176.35 174.60 2d90 n ASP 87 N 3.06 0.00 -0.33 3.68 -0.08 -1.26 -2.62 116.55 119.00 2d90 n ASP 87 Ca -0.13 0.64 0.25 0.00 -1.51 0.00 0.00 54.79 54.03 2d90 n ASP 87 Cb 0.52 -0.45 0.46 0.00 2.34 0.00 0.00 41.12 44.00 2d90 n ASP 87 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2d90 h LYS 88 N 0.00 0.00 -1.33 -0.67 1.63 -1.98 1.17 116.57 115.39 2d90 h LYS 88 Ca 0.00 -0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.14 2d90 h LYS 88 Cb 0.00 -0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 31.36 2d90 h LYS 88 CO 0.00 0.00 0.85 0.39 -3.45 0.00 0.00 179.45 177.25 2d90 n GLU 89 N -5.36 2.60 -0.10 1.90 -0.58 -1.25 -4.34 120.64 113.50 2d90 n GLU 89 Ca 0.32 -3.12 -0.14 0.00 -0.42 0.00 0.00 57.16 53.79 2d90 n GLU 89 Cb 1.06 -2.21 -0.10 0.00 -0.57 0.00 0.00 31.44 29.62 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d90 n ALA 90 N -0.62 1.55 -1.86 0.62 0.00 0.40 -4.21 120.51 116.39 2d90 n ALA 90 Ca 0.57 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2d90 n ALA 90 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2d90 n ALA 90 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2d90 s GLU 91 N -2.42 4.19 -0.30 0.00 2.02 -1.26 -4.43 118.70 116.51 2d90 s GLU 91 Ca -0.27 2.44 -0.00 0.00 0.02 0.00 0.00 54.97 57.16 2d90 s GLU 91 Cb 0.07 -3.12 0.09 0.00 0.10 0.00 0.00 34.13 31.28 2d90 s GLU 91 CO 0.49 -0.63 0.07 0.45 0.02 0.00 0.00 175.26 175.67 2d90 s SER 92 N 1.01 4.01 0.67 -0.19 0.15 -1.26 -5.11 113.70 112.97 2d90 s SER 92 Ca 0.70 -1.60 -0.17 0.00 0.70 0.00 0.00 55.95 55.58 2d90 s SER 92 Cb -0.46 -0.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.85 2d90 s SER 92 CO 0.34 -0.39 0.64 -0.38 1.20 0.00 0.00 173.24 174.66 2d90 n ILE 93 N 4.78 2.32 -1.48 6.45 5.41 -1.26 -4.91 119.36 130.67 2d90 n ILE 93 Ca -0.03 -0.43 -0.35 0.00 1.00 0.00 0.00 62.75 62.94 2d90 n ILE 93 Cb 0.43 -0.83 0.09 0.00 -0.71 0.00 0.00 39.64 38.62 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2d90 s TYR 94 N -1.80 2.03 0.40 1.39 1.13 -1.26 -4.95 117.35 114.29 2d90 s TYR 94 Ca 0.69 1.58 -0.25 0.00 -1.41 0.00 0.00 57.07 57.68 2d90 s TYR 94 Cb -0.38 -3.53 -0.08 0.00 -1.10 0.00 0.00 41.96 36.87 2d90 s TYR 94 CO 0.54 -2.71 1.20 0.45 -2.51 0.00 0.00 175.55 172.53 2d90 s SER 95 N -1.88 6.45 -0.74 -0.18 0.15 -1.26 -4.95 113.70 111.29 2d90 s SER 95 Ca 0.76 2.42 -0.26 0.00 0.70 0.00 0.00 55.95 59.58 2d90 s SER 95 Cb -0.31 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.42 2d90 s SER 95 CO 0.44 -0.73 1.23 -0.22 1.20 0.00 0.00 173.24 175.16 2d90 s LEU 96 N -2.49 3.39 0.21 3.45 0.20 -1.26 -4.94 118.68 117.24 2d90 s LEU 96 Ca 0.57 -0.59 -0.23 0.00 0.69 0.00 0.00 54.13 54.57 2d90 s LEU 96 Cb -0.33 -2.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.94 2d90 s LEU 96 CO 0.41 -1.75 0.73 -0.94 -0.29 0.00 0.00 176.35 174.50 2d90 s SER 97 N 3.78 -0.35 0.00 3.68 1.04 -1.26 -5.16 113.70 115.44 2d90 s SER 97 Ca 0.33 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2d90 s SER 97 Cb -0.09 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2d90 s SER 97 CO 0.13 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2d90 n GLY 98 N -0.42 -1.01 3.60 7.32 0.00 -1.26 -4.89 105.19 108.53 2d90 n GLY 98 Ca -0.08 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 2d90 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d90 s PRO 99 N -5.03 3.39 0.03 1.61 0.04 -1.26 -5.00 135.00 128.78 2d90 s PRO 99 Ca 0.00 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2d90 s PRO 99 Cb 0.00 -4.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 2d90 s PRO 99 CO 0.00 -1.79 0.12 -1.54 0.04 0.00 0.00 177.00 173.84 2d90 s SER 100 N 5.54 5.90 -1.46 6.66 1.04 -1.26 -4.47 113.70 125.64 2d90 s SER 100 Ca 0.75 0.17 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 2d90 s SER 100 Cb -0.20 -1.73 0.06 0.00 0.10 0.00 0.00 66.02 64.25 2d90 s SER 100 CO 0.33 0.23 0.88 -1.20 0.98 0.00 0.00 173.24 174.46 2d90 n SER 101 N 0.80 -3.61 0.00 7.02 7.64 -1.26 -5.27 113.62 118.94 2d90 n SER 101 Ca -0.10 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2d90 n SER 101 Cb 0.52 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 2d90 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64