#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 s SER 2 N 0.00 6.24 -0.23 1.61 0.01 -1.26 -4.95 113.70 115.12 2d90 s SER 2 Ca 0.00 -0.95 -0.16 0.00 1.31 0.00 0.00 55.95 56.15 2d90 s SER 2 Cb 0.00 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.81 2d90 s SER 2 CO 0.00 -1.55 0.58 -0.55 0.41 0.00 0.00 173.24 172.13 2d90 s SER 3 N 3.83 -0.70 -0.32 2.44 0.15 -1.26 -5.11 113.70 112.73 2d90 s SER 3 Ca 0.30 1.23 -0.30 0.00 0.70 0.00 0.00 55.95 57.88 2d90 s SER 3 Cb -0.11 1.17 -0.08 0.00 -1.71 0.00 0.00 66.02 65.29 2d90 s SER 3 CO 0.08 -0.21 2.25 0.61 1.20 0.00 0.00 173.24 177.17 2d90 n GLY 4 N 3.62 0.68 0.29 9.45 0.00 -1.26 -4.83 105.19 113.14 2d90 n GLY 4 Ca -0.18 0.83 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 2d90 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d90 h SER 5 N 14.70 0.93 -3.59 1.61 0.87 -1.99 -3.37 113.55 122.71 2d90 h SER 5 Ca -0.33 -0.19 -0.71 0.00 -1.23 0.00 0.00 61.79 59.34 2d90 h SER 5 Cb 1.27 -0.24 -0.33 0.00 -0.44 0.00 0.00 62.40 62.66 2d90 h SER 5 CO 1.02 0.87 -0.45 -0.94 -0.53 0.00 0.00 176.83 176.80 2d90 s SER 6 N -6.22 5.40 0.00 6.23 1.04 -1.26 -4.94 113.70 113.95 2d90 s SER 6 Ca -0.13 -2.21 0.00 0.00 0.48 0.00 0.00 55.95 54.10 2d90 s SER 6 Cb 0.14 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2d90 s SER 6 CO 0.81 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 175.10 2d90 n GLY 7 N 4.40 2.89 3.88 7.32 0.00 -1.26 -4.94 105.19 117.49 2d90 n GLY 7 Ca -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.70 3.58 -0.33 1.61 1.70 -0.89 -4.64 118.95 115.27 2d90 s ARG 8 Ca 0.00 0.57 -0.07 0.00 -0.47 0.00 0.00 55.73 55.76 2d90 s ARG 8 Cb 0.00 -2.18 0.04 0.00 -0.57 0.00 0.00 34.95 32.24 2d90 s ARG 8 CO 0.00 -0.45 0.11 0.08 -1.08 0.00 0.00 175.30 173.95 2d90 s VAL 9 N -3.04 3.83 0.23 4.99 1.01 -1.26 -3.01 120.40 123.15 2d90 s VAL 9 Ca 0.52 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2d90 s VAL 9 Cb -0.11 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 2d90 s VAL 9 CO 0.51 -0.15 0.53 -0.69 0.00 0.00 0.00 175.10 175.30 2d90 s VAL 10 N 1.42 4.97 -0.04 2.92 1.01 0.90 -4.92 120.40 126.66 2d90 s VAL 10 Ca -0.01 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2d90 s VAL 10 Cb -0.19 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2d90 s VAL 10 CO 0.03 -0.08 0.06 -0.69 0.00 0.00 0.00 175.10 174.41 2d90 s VAL 11 N -1.83 -0.10 0.18 2.92 1.01 -1.26 -1.08 120.40 120.24 2d90 s VAL 11 Ca 0.46 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2d90 s VAL 11 Cb -0.11 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2d90 s VAL 11 CO 0.22 0.17 -0.08 -0.63 0.00 0.00 0.00 175.10 174.78 2d90 s ILE 12 N 2.00 1.22 -0.18 2.22 1.01 -1.15 -4.64 121.20 121.69 2d90 s ILE 12 Ca 0.03 -2.08 -0.04 0.00 0.00 0.00 0.00 60.65 58.56 2d90 s ILE 12 Cb -0.12 -2.01 0.08 0.00 0.01 0.00 0.00 42.46 40.41 2d90 s ILE 12 CO -0.03 -0.61 0.17 -0.54 0.00 0.00 0.00 174.94 173.93 2d90 s LYS 13 N -3.76 0.13 -0.09 2.79 1.02 -1.26 -2.25 119.74 116.31 2d90 s LYS 13 Ca 0.21 0.15 -0.36 0.00 0.02 0.00 0.00 55.97 55.98 2d90 s LYS 13 Cb 0.03 -1.32 -0.17 0.00 -0.52 0.00 0.00 37.83 35.85 2d90 s LYS 13 CO 0.04 -0.62 1.02 1.17 -0.92 0.00 0.00 175.35 176.03 2d90 n LYS 14 N 5.31 0.00 0.10 1.68 4.81 0.39 -4.84 118.16 125.61 2d90 n LYS 14 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2d90 n LYS 14 Cb 0.49 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.24 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 1.73 -0.20 2.91 3.14 0.00 -1.14 -4.94 105.19 106.69 2d90 n GLY 15 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2d90 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d90 n SER 16 N -3.45 6.43 -4.21 1.61 2.88 -1.26 -4.75 113.62 110.87 2d90 n SER 16 Ca 0.00 -3.47 -0.35 0.00 -1.33 0.00 0.00 58.87 53.72 2d90 n SER 16 Cb 0.01 -1.22 -0.03 0.00 -0.75 0.00 0.00 64.21 62.23 2d90 n SER 16 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2d90 n ASN 17 N 1.05 -2.93 0.00 -3.46 2.85 -1.26 -4.80 115.26 106.71 2d90 n ASN 17 Ca 0.29 -1.02 0.00 0.00 -0.11 0.00 0.00 54.58 53.74 2d90 n ASN 17 Cb 0.32 -2.74 0.00 0.00 1.24 0.00 0.00 39.78 38.61 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d90 n GLY 18 N -1.47 -0.03 0.11 8.20 0.00 -1.26 -5.05 105.19 105.68 2d90 n GLY 18 Ca 0.03 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.83 0.35 0.00 1.61 4.01 -1.26 -2.90 117.16 118.13 2d90 n TYR 19 Ca 0.00 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2d90 n TYR 19 Cb 0.00 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.20 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 1.41 0.67 3.16 2.72 0.00 -1.26 -2.14 105.19 109.75 2d90 n GLY 20 Ca -0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.47 1.02 0.43 1.61 -0.12 -1.26 -1.30 117.98 116.88 2d90 s PHE 21 Ca 0.00 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.29 2d90 s PHE 21 Cb 0.00 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.78 2d90 s PHE 21 CO 0.00 -0.01 0.03 0.71 -0.05 0.00 0.00 175.22 175.90 2d90 s TYR 22 N -2.21 2.07 -0.05 3.49 1.51 -1.15 -5.00 117.35 116.00 2d90 s TYR 22 Ca 0.03 -0.92 -0.00 0.00 -1.01 0.00 0.00 57.07 55.16 2d90 s TYR 22 Cb -0.04 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2d90 s TYR 22 CO 0.00 0.18 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.10 2d90 s LEU 23 N -3.72 0.97 0.31 -1.29 1.43 -1.26 -3.49 118.68 111.63 2d90 s LEU 23 Ca 0.22 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2d90 s LEU 23 Cb 0.05 -0.38 -0.06 0.00 0.03 0.00 0.00 46.19 45.84 2d90 s LEU 23 CO 0.11 -0.12 -0.08 -0.60 0.23 0.00 0.00 176.35 175.89 2d90 s ARG 24 N 1.38 1.69 -0.65 1.70 3.52 0.57 -4.92 118.95 122.25 2d90 s ARG 24 Ca -0.04 -1.87 -0.23 0.00 -0.13 0.00 0.00 55.73 53.46 2d90 s ARG 24 Cb -0.13 -1.44 0.07 0.00 -1.56 0.00 0.00 34.95 31.88 2d90 s ARG 24 CO -0.02 0.09 0.96 0.00 -0.81 0.00 0.00 175.30 175.52 2d90 s ALA 25 N -2.80 3.11 1.00 6.12 0.00 -1.26 -1.85 121.76 126.08 2d90 s ALA 25 Ca 0.31 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.52 2d90 s ALA 25 Cb 0.03 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2d90 s ALA 25 CO 0.14 -2.73 0.00 0.41 0.00 0.00 0.00 175.76 173.58 2d90 n GLY 26 N 5.30 -0.70 0.00 0.00 0.00 -1.26 -5.00 105.19 103.53 2d90 n GLY 26 Ca -0.03 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2d90 n GLY 26 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d90 n PRO 27 N 0.00 0.25 -1.01 1.61 -0.04 -1.26 -4.79 135.00 129.77 2d90 n PRO 27 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2d90 n PRO 27 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2d90 n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2d90 n GLU 28 N -0.56 2.54 -3.65 0.54 -0.58 -1.26 -4.72 120.64 112.95 2d90 n GLU 28 Ca 0.00 -1.78 -0.29 0.00 -0.42 0.00 0.00 57.16 54.66 2d90 n GLU 28 Cb 0.00 -2.65 -0.15 0.00 -0.57 0.00 0.00 31.44 28.07 2d90 n GLU 28 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2d90 s GLN 29 N 3.20 0.55 -0.37 3.49 -1.52 -1.26 -5.08 119.66 118.67 2d90 s GLN 29 Ca 0.50 -0.95 -0.31 0.00 -1.95 0.00 0.00 55.36 52.65 2d90 s GLN 29 Cb 0.13 -1.69 -0.14 0.00 -0.22 0.00 0.00 33.01 31.09 2d90 s GLN 29 CO -0.03 -1.02 1.55 1.63 -0.25 0.00 0.00 175.29 177.18 2d90 n LYS 30 N 4.88 0.00 0.00 2.91 4.01 -1.26 -4.66 118.16 124.04 2d90 n LYS 30 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2d90 n LYS 30 Cb 0.41 -1.08 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 2d90 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2d90 n GLY 31 N 5.36 2.11 3.40 0.72 0.00 -1.18 -4.72 105.19 110.89 2d90 n GLY 31 Ca 0.40 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.68 2.31 0.09 1.61 -1.52 -0.95 -4.61 119.66 114.91 2d90 s GLN 32 Ca 0.00 -0.81 -0.13 0.00 -1.95 0.00 0.00 55.36 52.47 2d90 s GLN 32 Cb 0.00 -2.22 -0.06 0.00 -0.22 0.00 0.00 33.01 30.51 2d90 s GLN 32 CO 0.00 0.59 0.48 0.42 -0.25 0.00 0.00 175.29 176.53 2d90 s ILE 33 N -0.68 4.96 -0.04 1.08 1.01 -0.77 -0.46 121.20 126.29 2d90 s ILE 33 Ca 0.11 0.74 -0.05 0.00 0.00 0.00 0.00 60.65 61.45 2d90 s ILE 33 Cb -0.10 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2d90 s ILE 33 CO -0.00 0.34 0.19 -0.63 0.00 0.00 0.00 174.94 174.84 2d90 s ILE 34 N -1.34 5.43 0.08 2.92 1.01 -0.45 -0.32 121.20 128.52 2d90 s ILE 34 Ca 0.33 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.74 2d90 s ILE 34 Cb -0.15 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 38.89 2d90 s ILE 34 CO 0.18 0.43 0.94 -1.59 0.00 0.00 0.00 174.94 174.89 2d90 s LYS 35 N -1.62 1.00 -0.90 2.79 -2.85 -1.23 -0.09 119.74 116.84 2d90 s LYS 35 Ca 0.24 -0.48 -0.03 0.00 -1.00 0.00 0.00 55.97 54.69 2d90 s LYS 35 Cb -0.13 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 2d90 s LYS 35 CO 0.14 -0.45 0.39 -0.25 0.10 0.00 0.00 175.35 175.27 2d90 n ASP 36 N -0.37 -4.25 -4.75 0.03 8.00 -1.26 -2.95 116.55 111.00 2d90 n ASP 36 Ca -0.07 -0.18 -0.41 0.00 0.71 0.00 0.00 54.79 54.83 2d90 n ASP 36 Cb 0.61 -3.11 -0.02 0.00 -0.02 0.00 0.00 41.12 38.58 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2d90 s ILE 37 N -2.93 2.45 0.17 0.53 1.01 -1.26 -4.70 121.20 116.47 2d90 s ILE 37 Ca 0.19 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 61.06 2d90 s ILE 37 Cb -0.08 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 2d90 s ILE 37 CO 0.24 0.06 0.62 -1.61 0.00 0.00 0.00 174.94 174.25 2d90 s GLU 38 N -0.45 4.12 0.41 2.79 8.01 -0.42 -5.03 118.70 128.13 2d90 s GLU 38 Ca 0.60 0.67 -0.25 0.00 0.01 0.00 0.00 54.97 56.01 2d90 s GLU 38 Cb -0.44 -2.95 -0.08 0.00 -4.31 0.00 0.00 34.13 26.35 2d90 s GLU 38 CO 0.45 0.46 1.18 -1.25 0.01 0.00 0.00 175.26 176.12 2d90 s PRO 39 N -1.87 3.98 -1.26 0.39 0.04 -1.26 -2.96 135.00 132.07 2d90 s PRO 39 Ca 0.39 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2d90 s PRO 39 Cb -0.16 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2d90 s PRO 39 CO 0.20 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2d90 n GLY 40 N 0.60 0.88 3.92 0.56 0.00 -1.26 -4.92 105.19 104.97 2d90 n GLY 40 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.04 6.35 0.56 1.61 1.04 -1.16 -4.87 113.70 115.20 2d90 s SER 41 Ca 0.00 0.60 0.34 0.00 0.48 0.00 0.00 55.95 57.38 2d90 s SER 41 Cb 0.00 -2.10 1.47 0.00 0.10 0.00 0.00 66.02 65.49 2d90 s SER 41 CO 0.00 -0.28 1.76 -0.65 0.98 0.00 0.00 173.24 175.05 2d90 h PRO 42 N 1.08 0.00 0.03 4.02 0.11 -1.83 0.17 132.00 135.57 2d90 h PRO 42 Ca -0.49 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2d90 h PRO 42 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2d90 h PRO 42 CO 0.63 0.00 -0.59 0.00 -0.21 0.00 0.00 178.00 177.83 2d90 h ALA 43 N 1.31 0.04 -0.48 -0.75 0.00 -1.72 -1.91 119.26 115.74 2d90 h ALA 43 Ca 0.49 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2d90 h ALA 43 Cb 2.13 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 2d90 h ALA 43 CO -0.01 0.32 -0.03 1.49 0.00 0.00 0.00 179.25 181.03 2d90 h GLU 44 N -0.22 0.87 0.00 0.00 4.22 -0.96 -2.61 114.58 115.88 2d90 h GLU 44 Ca -0.08 -0.29 -0.11 0.00 0.08 0.00 0.00 59.36 58.96 2d90 h GLU 44 Cb 1.33 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2d90 h GLU 44 CO 0.11 0.93 -0.50 0.00 -2.18 0.00 0.00 179.01 177.37 2d90 h ALA 45 N 0.92 1.08 -0.11 2.92 0.00 -1.12 -2.95 119.26 119.99 2d90 h ALA 45 Ca 0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2d90 h ALA 45 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2d90 h ALA 45 CO 0.03 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 2d90 h ALA 46 N 1.50 1.54 0.00 0.00 0.00 -1.10 -3.46 119.26 117.73 2d90 h ALA 46 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2d90 h ALA 46 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2d90 h ALA 46 CO 0.07 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2d90 n GLY 47 N -0.88 1.08 2.80 0.00 0.00 -1.11 -4.65 105.19 102.43 2d90 n GLY 47 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.64 0.99 4.77 -1.01 -5.05 117.00 113.06 2d90 n LEU 48 Ca 0.00 -0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 2d90 n LEU 48 Cb 0.00 -0.71 -0.07 0.00 -2.33 0.00 0.00 43.42 40.31 2d90 n LEU 48 CO 0.00 -2.37 0.50 -0.54 -1.33 0.00 0.00 177.39 173.65 2d90 s LYS 49 N -3.44 0.58 0.47 3.23 1.02 -1.26 -4.94 119.74 115.40 2d90 s LYS 49 Ca 0.32 0.96 -0.22 0.00 0.02 0.00 0.00 55.97 57.05 2d90 s LYS 49 Cb -0.06 0.14 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 2d90 s LYS 49 CO 0.27 -0.11 0.92 0.09 -0.92 0.00 0.00 175.35 175.60 2d90 n ASN 50 N 3.85 0.81 -0.96 2.83 4.13 -1.26 -2.26 115.26 122.40 2d90 n ASN 50 Ca -0.19 0.95 -0.09 0.00 1.68 0.00 0.00 54.58 56.94 2d90 n ASN 50 Cb 0.58 -1.33 -0.01 0.00 -1.54 0.00 0.00 39.78 37.48 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 0.31 -3.22 -4.63 6.41 4.13 0.87 -4.95 115.26 114.17 2d90 n ASN 51 Ca 0.11 0.02 -0.40 0.00 1.68 0.00 0.00 54.58 55.99 2d90 n ASN 51 Cb 0.42 -2.37 -0.07 0.00 -1.54 0.00 0.00 39.78 36.22 2d90 n ASN 51 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2d90 s ASP 52 N -2.65 6.51 -0.36 6.41 1.11 -0.96 -4.76 116.67 121.97 2d90 s ASP 52 Ca 0.00 0.61 -0.20 0.00 0.18 0.00 0.00 52.55 53.14 2d90 s ASP 52 Cb 0.00 -2.30 0.00 0.00 1.07 0.00 0.00 42.92 41.70 2d90 s ASP 52 CO 0.00 -0.27 0.62 -0.22 1.18 0.00 0.00 175.17 176.47 2d90 s LEU 53 N 2.14 4.29 -0.20 1.23 1.98 -1.25 -1.34 118.68 125.52 2d90 s LEU 53 Ca 0.23 0.09 -0.19 0.00 -2.89 0.00 0.00 54.13 51.37 2d90 s LEU 53 Cb -0.16 -2.75 -0.03 0.00 0.66 0.00 0.00 46.19 43.92 2d90 s LEU 53 CO 0.09 -0.59 0.57 -0.69 -1.89 0.00 0.00 176.35 173.84 2d90 s VAL 54 N 2.66 5.07 -0.12 1.68 1.01 0.39 -1.81 120.40 129.28 2d90 s VAL 54 Ca 0.23 1.06 0.20 0.00 0.00 0.00 0.00 61.98 63.47 2d90 s VAL 54 Cb -0.15 -3.89 -0.28 0.00 0.00 0.00 0.00 36.38 32.06 2d90 s VAL 54 CO 0.15 0.15 0.32 1.33 0.00 0.00 0.00 175.10 177.04 2d90 n VAL 55 N 4.62 0.72 -3.92 2.92 0.24 -0.15 -2.25 118.33 120.52 2d90 n VAL 55 Ca -0.03 -0.68 -0.09 0.00 -2.04 0.00 0.00 64.34 61.50 2d90 n VAL 55 Cb 0.50 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.52 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 -3.01 -0.09 -0.05 2.33 0.00 -1.22 -1.94 121.76 117.78 2d90 s ALA 56 Ca -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2d90 s ALA 56 Cb 0.10 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2d90 s ALA 56 CO 0.87 -0.32 0.08 0.08 0.00 0.00 0.00 175.76 176.47 2d90 s VAL 57 N -2.55 -0.13 -1.49 0.00 1.01 0.08 -1.56 120.40 115.76 2d90 s VAL 57 Ca -0.05 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2d90 s VAL 57 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.20 2d90 s VAL 57 CO -0.04 0.17 0.25 0.59 0.00 0.00 0.00 175.10 176.08 2d90 n ASN 58 N 5.28 -5.48 -0.65 3.32 3.02 0.17 -1.93 115.26 118.99 2d90 n ASN 58 Ca -0.04 -0.13 -0.06 0.00 -0.03 0.00 0.00 54.58 54.32 2d90 n ASN 58 Cb 0.50 -4.43 -0.01 0.00 -0.61 0.00 0.00 39.78 35.23 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 -1.22 0.24 3.13 7.41 0.00 -1.26 -4.98 105.19 108.50 2d90 n GLY 59 Ca -0.16 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.02 0.78 -0.15 1.61 1.02 -0.81 -5.11 119.74 113.05 2d90 s LYS 60 Ca 0.00 -0.80 -0.29 0.00 0.02 0.00 0.00 55.97 54.90 2d90 s LYS 60 Cb 0.00 -0.74 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2d90 s LYS 60 CO 0.00 0.17 1.33 -1.12 -0.92 0.00 0.00 175.35 174.81 2d90 s SER 61 N -1.40 6.89 0.00 2.83 0.01 -1.26 -0.74 113.70 120.03 2d90 s SER 61 Ca -0.02 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2d90 s SER 61 Cb -0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2d90 s SER 61 CO 0.01 -0.80 0.00 1.33 0.41 0.00 0.00 173.24 174.19 2d90 n VAL 62 N 5.42 0.00 -0.00 3.43 0.24 -1.10 -4.68 118.33 121.64 2d90 n VAL 62 Ca 0.14 0.00 0.21 0.00 -2.04 0.00 0.00 64.34 62.66 2d90 n VAL 62 Cb 0.45 0.00 0.71 0.00 -1.47 0.00 0.00 33.84 33.53 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 0.00 0.00 7.34 9.09 -1.60 0.49 114.58 129.90 2d90 h GLU 63 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2d90 h GLU 63 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2d90 h GLU 63 CO 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 179.01 178.96 2d90 h ALA 64 N 1.68 0.95 -2.12 1.06 0.00 -1.85 -3.11 119.26 115.86 2d90 h ALA 64 Ca 0.26 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.72 2d90 h ALA 64 Cb 1.09 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.02 2d90 h ALA 64 CO -0.00 0.00 0.39 -0.51 0.00 0.00 0.00 179.25 179.12 2d90 s LEU 65 N -5.96 2.69 0.47 0.00 1.43 0.17 -5.08 118.68 112.40 2d90 s LEU 65 Ca 0.07 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 2d90 s LEU 65 Cb 0.06 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.75 2d90 s LEU 65 CO 0.68 -2.42 0.41 -0.62 0.23 0.00 0.00 176.35 174.63 2d90 s ASP 66 N -4.79 4.89 0.07 2.29 2.15 -1.26 -4.74 116.67 115.28 2d90 s ASP 66 Ca 0.70 -0.93 -0.14 0.00 0.43 0.00 0.00 52.55 52.61 2d90 s ASP 66 Cb -0.06 -0.17 -0.03 0.00 -0.30 0.00 0.00 42.92 42.35 2d90 s ASP 66 CO 0.51 -0.85 0.97 1.57 -0.17 0.00 0.00 175.17 177.20 2d90 n HIS 67 N -1.66 -0.20 -0.06 -5.34 -0.00 -1.26 0.32 115.22 107.01 2d90 n HIS 67 Ca 0.03 0.57 -0.08 0.00 -0.00 0.00 0.00 57.72 58.24 2d90 n HIS 67 Cb 0.63 -0.48 -0.01 0.00 -0.00 0.00 0.00 29.99 30.12 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 -0.02 0.08 0.26 5.19 -1.98 -1.33 116.42 118.62 2d90 h ASP 68 Ca 0.07 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2d90 h ASP 68 Cb 0.19 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 2d90 h ASP 68 CO -0.43 0.02 -0.24 1.23 -3.12 0.00 0.00 179.24 176.70 2d90 h GLY 69 N 0.12 -1.16 0.08 2.75 0.00 -0.50 -0.18 103.07 104.19 2d90 h GLY 69 Ca 0.12 0.56 0.00 0.00 0.00 0.00 0.00 47.33 48.01 2d90 h GLY 69 CO -0.17 -0.37 -0.24 -2.08 0.00 0.00 0.00 176.54 173.68 2d90 h VAL 70 N -0.36 0.00 -1.00 4.60 2.07 -0.46 -1.64 116.25 119.46 2d90 h VAL 70 Ca -0.01 0.00 0.41 0.00 0.82 0.00 0.00 66.70 67.93 2d90 h VAL 70 Cb 0.35 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.95 2d90 h VAL 70 CO -0.12 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.58 2d90 h VAL 71 N -0.36 0.01 -0.39 2.57 2.07 -1.24 0.88 116.25 119.79 2d90 h VAL 71 Ca -0.01 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2d90 h VAL 71 Cb 0.36 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2d90 h VAL 71 CO -0.12 0.00 0.25 -0.08 0.02 0.00 0.00 177.57 177.65 2d90 h GLU 72 N 0.01 0.50 -0.69 1.57 4.57 -0.07 -2.38 114.58 118.09 2d90 h GLU 72 Ca 0.84 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 59.14 2d90 h GLU 72 Cb 2.20 -0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 30.57 2d90 h GLU 72 CO -0.77 0.33 0.07 0.52 -1.18 0.00 0.00 179.01 177.99 2d90 h MET 73 N 0.51 0.17 0.11 1.92 2.86 0.13 0.82 114.93 121.45 2d90 h MET 73 Ca 0.14 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2d90 h MET 73 Cb -0.05 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.57 2d90 h MET 73 CO -0.04 0.11 -0.05 0.82 1.06 0.00 0.00 176.91 178.81 2d90 h ILE 74 N 0.17 0.97 -0.63 -1.22 5.03 -1.35 -2.72 117.51 117.76 2d90 h ILE 74 Ca 0.38 -0.28 0.10 0.00 -0.12 0.00 0.00 64.86 64.94 2d90 h ILE 74 Cb 0.64 1.15 -0.07 0.00 -3.03 0.00 0.00 36.82 35.50 2d90 h ILE 74 CO -0.55 0.07 0.24 0.03 -0.68 0.00 0.00 178.15 177.26 2d90 h ARG 75 N -0.27 0.40 -0.84 2.37 -0.00 -0.78 -0.43 114.38 114.82 2d90 h ARG 75 Ca -0.01 -0.02 0.11 0.00 -0.50 0.00 0.00 59.98 59.55 2d90 h ARG 75 Cb 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 29.97 30.04 2d90 h ARG 75 CO 0.02 0.27 0.55 0.87 0.00 0.00 0.00 179.97 181.68 2d90 h LYS 76 N 0.42 0.75 -1.47 0.04 1.57 -0.74 -1.72 116.57 115.42 2d90 h LYS 76 Ca 0.32 -0.05 0.45 0.00 -1.87 0.00 0.00 60.65 59.50 2d90 h LYS 76 Cb 0.40 -0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 2d90 h LYS 76 CO -0.31 0.50 1.01 0.78 -0.57 0.00 0.00 179.45 180.85 2d90 h GLY 77 N 0.77 0.72 0.00 3.86 0.00 -0.75 -3.46 103.07 104.21 2d90 h GLY 77 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2d90 h GLY 77 CO -0.16 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 176.78 2d90 n GLY 78 N -1.67 1.02 0.15 4.60 0.00 -0.65 -4.38 105.19 104.27 2d90 n GLY 78 Ca 0.37 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2d90 n GLY 78 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d90 n ASP 79 N 2.80 1.66 -4.76 1.61 2.03 -1.26 -4.89 116.55 113.75 2d90 n ASP 79 Ca 0.00 0.28 -0.26 0.00 0.52 0.00 0.00 54.79 55.33 2d90 n ASP 79 Cb 0.00 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.66 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d90 s GLN 80 N -2.63 2.77 -0.19 -0.67 -2.07 -1.26 -0.46 119.66 115.14 2d90 s GLN 80 Ca -0.24 -0.93 -0.25 0.00 -1.82 0.00 0.00 55.36 52.13 2d90 s GLN 80 Cb 0.03 -2.57 0.06 0.00 -1.09 0.00 0.00 33.01 29.44 2d90 s GLN 80 CO 0.35 0.48 0.65 -0.08 -1.32 0.00 0.00 175.29 175.38 2d90 s THR 81 N -1.73 0.00 -0.07 3.63 -1.32 -0.96 -4.75 115.64 110.45 2d90 s THR 81 Ca 0.30 -0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.64 2d90 s THR 81 Cb -0.10 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 2d90 s THR 81 CO 0.22 -0.01 0.28 -0.89 -2.21 0.00 0.00 174.62 172.01 2d90 s THR 82 N -0.12 5.26 0.13 5.08 2.01 -1.26 -2.92 115.64 123.83 2d90 s THR 82 Ca -0.03 0.54 0.11 0.00 0.31 0.00 0.00 61.69 62.62 2d90 s THR 82 Cb -0.03 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2d90 s THR 82 CO 0.03 0.57 -0.27 -0.76 -0.69 0.00 0.00 174.62 173.50 2d90 s LEU 83 N -0.82 2.33 -0.25 4.42 1.43 -0.24 0.45 118.68 126.00 2d90 s LEU 83 Ca 0.19 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2d90 s LEU 83 Cb -0.14 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 44.92 2d90 s LEU 83 CO 0.08 0.18 0.00 -0.22 0.23 0.00 0.00 176.35 176.62 2d90 s LEU 84 N -2.06 2.34 0.16 1.79 2.96 -0.60 -0.07 118.68 123.20 2d90 s LEU 84 Ca 0.14 -1.24 0.06 0.00 -0.22 0.00 0.00 54.13 52.87 2d90 s LEU 84 Cb -0.10 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2d90 s LEU 84 CO 0.06 -0.29 0.06 0.68 -1.32 0.00 0.00 176.35 175.54 2d90 s VAL 85 N 1.51 4.07 0.06 1.68 -7.23 -1.16 -0.97 120.40 118.35 2d90 s VAL 85 Ca -0.01 -1.25 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 2d90 s VAL 85 Cb -0.18 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2d90 s VAL 85 CO -0.10 -0.09 -0.00 -0.76 -0.31 0.00 0.00 175.10 173.84 2d90 s LEU 86 N -2.97 3.47 -0.21 1.32 2.01 -0.75 -2.09 118.68 119.46 2d90 s LEU 86 Ca 0.29 -0.13 -0.06 0.00 0.01 0.00 0.00 54.13 54.24 2d90 s LEU 86 Cb -0.10 -2.14 -0.19 0.00 0.01 0.00 0.00 46.19 43.77 2d90 s LEU 86 CO 0.21 0.21 -0.00 -0.67 1.01 0.00 0.00 176.35 177.10 2d90 n ASP 87 N 0.82 2.01 -0.13 2.29 -0.08 -1.26 -3.47 116.55 116.73 2d90 n ASP 87 Ca -0.12 0.11 -0.09 0.00 -1.51 0.00 0.00 54.79 53.18 2d90 n ASP 87 Cb 0.52 -0.69 0.05 0.00 2.34 0.00 0.00 41.12 43.35 2d90 n ASP 87 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2d90 h LYS 88 N -0.25 0.90 -0.76 -0.67 1.79 -1.98 -2.79 116.57 112.82 2d90 h LYS 88 Ca -0.52 -0.35 -0.17 0.00 -2.18 0.00 0.00 60.65 57.43 2d90 h LYS 88 Cb 1.83 -0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 32.33 2d90 h LYS 88 CO -0.10 1.00 0.21 0.39 -1.08 0.00 0.00 179.45 179.88 2d90 n GLU 89 N -4.13 3.71 -0.07 3.15 -0.58 -1.26 -4.40 120.64 117.06 2d90 n GLU 89 Ca 0.01 -2.83 -0.13 0.00 -0.42 0.00 0.00 57.16 53.79 2d90 n GLU 89 Cb 0.42 -2.16 -0.11 0.00 -0.57 0.00 0.00 31.44 29.02 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d90 h ALA 90 N 2.86 0.02 -3.44 0.62 0.00 -1.52 -3.43 119.26 114.36 2d90 h ALA 90 Ca 0.21 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.94 2d90 h ALA 90 Cb 2.16 0.07 -0.38 0.00 0.00 0.00 0.00 17.79 19.65 2d90 h ALA 90 CO 0.65 0.07 -0.63 -2.00 0.00 0.00 0.00 179.25 177.34 2d90 s GLU 91 N -2.15 1.78 -0.27 0.00 2.56 -1.26 -4.75 118.70 114.61 2d90 s GLU 91 Ca -0.17 -1.99 -0.14 0.00 0.00 0.00 0.00 54.97 52.66 2d90 s GLU 91 Cb -0.02 -3.38 -0.04 0.00 2.00 0.00 0.00 34.13 32.69 2d90 s GLU 91 CO 0.59 -1.02 0.33 -1.12 -0.56 0.00 0.00 175.26 173.47 2d90 s SER 92 N 1.04 6.20 0.60 -1.70 0.01 -1.26 -5.07 113.70 113.53 2d90 s SER 92 Ca 0.11 0.22 -0.16 0.00 1.31 0.00 0.00 55.95 57.43 2d90 s SER 92 Cb -0.21 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2d90 s SER 92 CO -0.06 -0.14 1.08 -0.63 0.41 0.00 0.00 173.24 173.90 2d90 s ILE 93 N 1.94 3.54 -0.77 1.44 -1.09 -1.26 -4.96 121.20 120.04 2d90 s ILE 93 Ca 0.13 0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 59.29 2d90 s ILE 93 Cb -0.16 -3.28 0.36 0.00 -1.58 0.00 0.00 42.46 37.81 2d90 s ILE 93 CO 0.10 -0.40 2.07 0.00 -1.23 0.00 0.00 174.94 175.48 2d90 n TYR 94 N -2.02 2.97 -3.09 3.97 4.11 -1.26 -4.98 117.16 116.85 2d90 n TYR 94 Ca 0.10 -2.50 -0.39 0.00 -0.00 0.00 0.00 57.90 55.10 2d90 n TYR 94 Cb 0.52 -1.27 -0.06 0.00 -0.00 0.00 0.00 39.34 38.54 2d90 n TYR 94 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2d90 s SER 95 N -1.20 7.17 -0.68 9.48 0.15 -1.26 -5.03 113.70 122.32 2d90 s SER 95 Ca 0.56 1.39 -0.17 0.00 0.70 0.00 0.00 55.95 58.42 2d90 s SER 95 Cb 0.45 -2.43 0.14 0.00 -1.71 0.00 0.00 66.02 62.47 2d90 s SER 95 CO -0.29 0.13 0.75 -0.22 1.20 0.00 0.00 173.24 174.81 2d90 s LEU 96 N -0.54 5.77 0.31 3.45 1.98 -1.26 -5.04 118.68 123.35 2d90 s LEU 96 Ca 0.34 -1.85 -0.29 0.00 -2.89 0.00 0.00 54.13 49.44 2d90 s LEU 96 Cb -0.20 -2.28 -0.11 0.00 0.66 0.00 0.00 46.19 44.26 2d90 s LEU 96 CO 0.21 -0.95 1.47 -0.94 -1.89 0.00 0.00 176.35 174.26 2d90 s SER 97 N 3.30 6.50 0.00 3.68 1.04 -1.26 -4.81 113.70 122.16 2d90 s SER 97 Ca 0.15 2.87 0.00 0.00 0.48 0.00 0.00 55.95 59.44 2d90 s SER 97 Cb -0.19 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.28 2d90 s SER 97 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2d90 n GLY 98 N 1.42 2.52 0.72 7.32 0.00 -1.26 -5.11 105.19 110.80 2d90 n GLY 98 Ca 0.04 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 2d90 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d90 n PRO 99 N 1.88 -1.46 -4.10 1.61 -0.04 -1.26 -5.05 135.00 126.58 2d90 n PRO 99 Ca 0.00 -0.36 -0.32 0.00 -0.04 0.00 0.00 63.50 62.78 2d90 n PRO 99 Cb 0.00 -0.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.96 2d90 n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d90 s SER 100 N -2.11 3.17 0.34 3.54 1.04 -1.26 -5.11 113.70 113.31 2d90 s SER 100 Ca 0.15 -0.69 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 2d90 s SER 100 Cb -0.01 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2d90 s SER 100 CO 0.11 -0.03 0.47 -0.94 0.98 0.00 0.00 173.24 173.83 2d90 s SER 101 N 1.31 0.87 0.00 7.02 1.04 -1.26 -5.36 113.70 117.31 2d90 s SER 101 Ca 0.04 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.01 2d90 s SER 101 Cb -0.14 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2d90 s SER 101 CO -0.12 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.43