#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 -3.78 -4.59 1.61 7.64 -1.26 -4.91 113.62 108.34 2d90 n SER 2 Ca 0.00 -0.85 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 2d90 n SER 2 Cb 0.00 -3.58 -0.05 0.00 -1.01 0.00 0.00 64.21 59.57 2d90 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d90 s SER 3 N -3.49 6.54 0.00 6.43 0.15 -1.26 -4.04 113.70 118.03 2d90 s SER 3 Ca 0.57 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2d90 s SER 3 Cb -0.29 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2d90 s SER 3 CO 0.86 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2d90 n GLY 4 N 4.51 0.70 3.68 9.45 0.00 -1.26 -4.99 105.19 117.28 2d90 n GLY 4 Ca 0.02 -0.32 -0.47 0.00 0.00 0.00 0.00 46.02 45.25 2d90 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d90 n SER 5 N 0.09 3.41 -1.84 1.61 3.41 -1.26 -4.84 113.62 114.21 2d90 n SER 5 Ca 0.00 1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 2d90 n SER 5 Cb 0.28 -1.40 0.01 0.00 -0.26 0.00 0.00 64.21 62.84 2d90 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d90 n SER 6 N 5.80 6.09 0.00 4.04 3.41 -1.26 -4.03 113.62 127.67 2d90 n SER 6 Ca 0.21 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2d90 n SER 6 Cb 0.30 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2d90 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d90 n GLY 7 N 0.83 3.11 3.90 5.00 0.00 -1.26 -4.94 105.19 111.83 2d90 n GLY 7 Ca 0.24 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.29 3.64 -0.20 1.61 1.70 0.14 -4.87 118.95 117.68 2d90 s ARG 8 Ca 0.00 0.21 -0.09 0.00 -0.47 0.00 0.00 55.73 55.38 2d90 s ARG 8 Cb 0.00 -2.46 -0.05 0.00 -0.57 0.00 0.00 34.95 31.88 2d90 s ARG 8 CO 0.00 -0.03 0.11 0.08 -1.08 0.00 0.00 175.30 174.37 2d90 s VAL 9 N -2.45 5.13 0.07 4.99 1.01 -1.26 -2.31 120.40 125.58 2d90 s VAL 9 Ca 0.47 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.63 2d90 s VAL 9 Cb -0.10 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2d90 s VAL 9 CO 0.36 0.43 -0.21 -0.69 0.00 0.00 0.00 175.10 175.00 2d90 s VAL 10 N 0.53 2.61 -0.03 2.92 1.01 0.69 -4.96 120.40 123.17 2d90 s VAL 10 Ca 0.06 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.69 2d90 s VAL 10 Cb -0.12 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2d90 s VAL 10 CO 0.00 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.65 2d90 s VAL 11 N -0.96 0.34 0.16 2.92 1.01 -1.26 -0.24 120.40 122.37 2d90 s VAL 11 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2d90 s VAL 11 Cb -0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2d90 s VAL 11 CO 0.06 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.59 2d90 s ILE 12 N 0.78 1.25 -0.06 2.22 1.01 -1.03 -4.47 121.20 120.90 2d90 s ILE 12 Ca -0.09 -2.08 -0.00 0.00 0.00 0.00 0.00 60.65 58.47 2d90 s ILE 12 Cb -0.12 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2d90 s ILE 12 CO -0.01 -0.70 -0.01 -0.54 0.00 0.00 0.00 174.94 173.68 2d90 s LYS 13 N -3.74 0.60 0.15 2.79 1.02 -1.26 -2.47 119.74 116.83 2d90 s LYS 13 Ca 0.18 0.05 -0.34 0.00 0.02 0.00 0.00 55.97 55.88 2d90 s LYS 13 Cb 0.02 -0.84 -0.16 0.00 -0.52 0.00 0.00 37.83 36.33 2d90 s LYS 13 CO 0.02 -0.22 1.29 1.17 -0.92 0.00 0.00 175.35 176.69 2d90 n LYS 14 N 4.69 1.35 0.00 1.68 4.81 -0.26 -4.71 118.16 125.72 2d90 n LYS 14 Ca -0.15 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 2d90 n LYS 14 Cb 0.50 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 2.32 1.03 0.03 3.14 0.00 -0.35 -5.01 105.19 106.35 2d90 n GLY 15 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 2d90 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d90 n SER 16 N 0.00 3.51 -1.06 1.61 3.41 -1.26 -4.64 113.62 115.20 2d90 n SER 16 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2d90 n SER 16 Cb 0.00 0.71 0.21 0.00 -0.26 0.00 0.00 64.21 64.86 2d90 n SER 16 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2d90 n ASN 17 N -2.18 2.60 0.00 4.04 3.02 -1.26 -5.07 115.26 116.41 2d90 n ASN 17 Ca -0.09 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.80 2d90 n ASN 17 Cb 0.65 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d90 n GLY 18 N -1.06 0.91 0.23 7.41 0.00 -1.26 -4.62 105.19 106.80 2d90 n GLY 18 Ca 0.30 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 1.89 0.00 0.00 1.61 4.01 -1.26 -1.21 117.16 122.19 2d90 n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2d90 n TYR 19 Cb 0.00 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 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 1.75 1.48 3.70 2.72 0.00 -1.26 -2.52 105.19 111.05 2d90 n GLY 20 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.97 2.85 0.35 1.61 -0.71 -1.26 -0.91 117.98 118.93 2d90 s PHE 21 Ca 0.00 -0.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.76 2d90 s PHE 21 Cb 0.00 -1.30 -0.05 0.00 -1.21 0.00 0.00 43.02 40.46 2d90 s PHE 21 CO 0.00 0.57 0.09 0.71 -1.34 0.00 0.00 175.22 175.24 2d90 s TYR 22 N -2.09 1.84 -0.01 3.49 1.51 -1.16 -5.00 117.35 115.93 2d90 s TYR 22 Ca 0.31 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 2d90 s TYR 22 Cb -0.08 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 2d90 s TYR 22 CO 0.21 -0.15 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.96 2d90 s LEU 23 N -3.51 1.79 0.22 -1.29 1.43 -1.26 -3.52 118.68 112.54 2d90 s LEU 23 Ca 0.32 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2d90 s LEU 23 Cb 0.06 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 46.01 2d90 s LEU 23 CO 0.15 0.01 0.02 -0.60 0.23 0.00 0.00 176.35 176.16 2d90 s ARG 24 N 0.20 1.28 -0.62 1.70 3.52 -0.72 -4.96 118.95 119.34 2d90 s ARG 24 Ca -0.02 -1.65 -0.25 0.00 -0.13 0.00 0.00 55.73 53.68 2d90 s ARG 24 Cb -0.05 -0.42 0.04 0.00 -1.56 0.00 0.00 34.95 32.97 2d90 s ARG 24 CO -0.00 -0.15 1.07 0.00 -0.81 0.00 0.00 175.30 175.40 2d90 s ALA 25 N -3.58 3.03 0.99 6.12 0.00 -1.26 -2.99 121.76 124.07 2d90 s ALA 25 Ca 0.29 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 2d90 s ALA 25 Cb 0.06 -3.94 0.02 0.00 0.00 0.00 0.00 23.12 19.26 2d90 s ALA 25 CO 0.08 -2.73 0.11 0.41 0.00 0.00 0.00 175.76 173.63 2d90 n GLY 26 N 5.21 -1.11 0.00 0.00 0.00 -1.26 -5.01 105.19 103.02 2d90 n GLY 26 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.22 -0.07 -0.41 1.61 -0.04 -1.26 -4.80 135.00 128.80 2d90 n PRO 27 Ca 0.01 0.00 0.39 0.00 -0.04 0.00 0.00 63.50 63.87 2d90 n PRO 27 Cb 0.05 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.27 2d90 n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2d90 h GLU 28 N 0.00 0.00 -5.84 0.54 5.08 -1.99 -3.42 114.58 108.94 2d90 h GLU 28 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2d90 h GLU 28 Cb 0.00 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.40 2d90 h GLU 28 CO 0.00 0.00 -0.93 0.94 -1.00 0.00 0.00 179.01 178.02 2d90 n GLN 29 N -4.08 0.00 -3.12 2.33 7.27 -1.26 -4.86 117.38 113.66 2d90 n GLN 29 Ca 0.30 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.94 2d90 n GLN 29 Cb 1.44 -0.97 -0.07 0.00 2.41 0.00 0.00 30.24 33.05 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2d90 s LYS 30 N -0.97 3.44 0.00 3.69 3.01 -1.26 -4.92 119.74 122.72 2d90 s LYS 30 Ca 0.58 -0.21 0.00 0.00 -1.01 0.00 0.00 55.97 55.32 2d90 s LYS 30 Cb -0.62 -3.89 0.00 0.00 -1.01 0.00 0.00 37.83 32.31 2d90 s LYS 30 CO 0.61 -0.90 0.00 0.41 0.51 0.00 0.00 175.35 175.99 2d90 n GLY 31 N 4.90 1.65 3.68 -3.33 0.00 -1.25 -4.58 105.19 106.26 2d90 n GLY 31 Ca -0.02 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.34 2.81 -0.04 1.61 -1.52 -0.47 -4.51 119.66 116.21 2d90 s GLN 32 Ca 0.00 -0.58 -0.13 0.00 -1.95 0.00 0.00 55.36 52.70 2d90 s GLN 32 Cb 0.00 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.05 2d90 s GLN 32 CO 0.00 0.64 0.34 0.42 -0.25 0.00 0.00 175.29 176.43 2d90 s ILE 33 N -1.06 5.16 0.04 1.08 1.01 -1.16 -0.19 121.20 126.08 2d90 s ILE 33 Ca 0.19 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 2d90 s ILE 33 Cb -0.11 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2d90 s ILE 33 CO 0.09 0.58 0.31 -0.63 0.00 0.00 0.00 174.94 175.29 2d90 s ILE 34 N -0.99 5.23 0.19 2.92 1.01 0.24 -1.76 121.20 128.04 2d90 s ILE 34 Ca 0.21 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.87 2d90 s ILE 34 Cb -0.15 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.77 2d90 s ILE 34 CO 0.11 0.33 0.89 -1.59 0.00 0.00 0.00 174.94 174.67 2d90 s LYS 35 N -1.84 1.36 -1.24 2.79 -2.85 -1.23 0.17 119.74 116.90 2d90 s LYS 35 Ca 0.30 -0.75 -0.05 0.00 -1.00 0.00 0.00 55.97 54.47 2d90 s LYS 35 Cb -0.13 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 2d90 s LYS 35 CO 0.17 -0.62 1.06 -0.25 0.10 0.00 0.00 175.35 175.81 2d90 n ASP 36 N -0.46 -4.64 -4.71 0.03 8.00 -1.26 -2.97 116.55 110.54 2d90 n ASP 36 Ca -0.06 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 2d90 n ASP 36 Cb 0.60 -4.85 -0.03 0.00 -0.02 0.00 0.00 41.12 36.82 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 -3.32 3.37 0.28 0.53 1.01 -1.26 -4.65 121.20 117.17 2d90 s ILE 37 Ca 0.35 0.96 -0.25 0.00 0.00 0.00 0.00 60.65 61.72 2d90 s ILE 37 Cb -0.15 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 2d90 s ILE 37 CO 0.69 0.06 0.88 -1.61 0.00 0.00 0.00 174.94 174.97 2d90 s GLU 38 N 1.29 4.52 0.51 2.79 2.02 -0.09 -5.03 118.70 124.71 2d90 s GLU 38 Ca 0.64 1.21 -0.21 0.00 0.02 0.00 0.00 54.97 56.64 2d90 s GLU 38 Cb -0.36 -2.88 -0.07 0.00 0.10 0.00 0.00 34.13 30.92 2d90 s GLU 38 CO 0.30 0.34 1.15 -1.25 0.02 0.00 0.00 175.26 175.82 2d90 s PRO 39 N -1.91 3.53 -0.72 0.39 0.04 -1.26 -3.02 135.00 132.05 2d90 s PRO 39 Ca 0.47 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2d90 s PRO 39 Cb -0.19 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2d90 s PRO 39 CO 0.24 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2d90 n GLY 40 N 0.29 0.64 3.89 0.56 0.00 -1.26 -4.89 105.19 104.44 2d90 n GLY 40 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.57 6.47 0.59 1.61 1.04 -1.17 -4.89 113.70 115.78 2d90 s SER 41 Ca 0.00 0.85 0.30 0.00 0.48 0.00 0.00 55.95 57.58 2d90 s SER 41 Cb 0.00 -2.20 1.34 0.00 0.10 0.00 0.00 66.02 65.26 2d90 s SER 41 CO 0.00 -0.26 1.71 -0.65 0.98 0.00 0.00 173.24 175.02 2d90 h PRO 42 N 1.55 0.00 -0.01 4.02 0.11 -1.82 0.22 132.00 136.07 2d90 h PRO 42 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 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 -0.62 0.00 -0.21 0.00 0.00 178.00 177.83 2d90 h ALA 43 N 1.18 0.09 -0.26 -0.75 0.00 -1.81 -1.95 119.26 115.75 2d90 h ALA 43 Ca 0.36 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2d90 h ALA 43 Cb 1.89 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2d90 h ALA 43 CO -0.00 0.37 -0.04 1.49 0.00 0.00 0.00 179.25 181.07 2d90 h GLU 44 N -0.05 0.49 0.00 0.00 4.22 -0.82 -2.94 114.58 115.48 2d90 h GLU 44 Ca -0.07 -0.18 -0.08 0.00 0.08 0.00 0.00 59.36 59.11 2d90 h GLU 44 Cb 1.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2d90 h GLU 44 CO 0.12 0.69 -0.36 0.00 -2.18 0.00 0.00 179.01 177.28 2d90 h ALA 45 N 0.78 1.40 -0.01 2.92 0.00 -1.36 -2.52 119.26 120.47 2d90 h ALA 45 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2d90 h ALA 45 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2d90 h ALA 45 CO 0.02 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.74 2d90 h ALA 46 N 1.64 1.52 0.00 0.00 0.00 -1.18 -3.45 119.26 117.79 2d90 h ALA 46 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d90 h ALA 46 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2d90 h ALA 46 CO 0.05 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2d90 n GLY 47 N -1.32 1.21 1.86 0.00 0.00 -0.95 -4.50 105.19 101.49 2d90 n GLY 47 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.14 -5.08 117.00 112.91 2d90 n LEU 48 Ca 0.00 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 2d90 n LEU 48 Cb 0.00 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 2d90 n LEU 48 CO 0.00 -2.09 0.49 -0.54 -1.33 0.00 0.00 177.39 173.92 2d90 s LYS 49 N -4.25 0.67 0.36 3.23 1.02 -1.26 -4.95 119.74 114.56 2d90 s LYS 49 Ca 0.39 0.95 -0.27 0.00 0.02 0.00 0.00 55.97 57.07 2d90 s LYS 49 Cb -0.06 0.25 -0.12 0.00 -0.52 0.00 0.00 37.83 37.38 2d90 s LYS 49 CO 0.32 -0.11 1.16 0.09 -0.92 0.00 0.00 175.35 175.89 2d90 n ASN 50 N 3.27 2.05 -0.76 2.83 4.13 -1.26 -2.06 115.26 123.46 2d90 n ASN 50 Ca -0.16 1.14 -0.07 0.00 1.68 0.00 0.00 54.58 57.17 2d90 n ASN 50 Cb 0.57 -1.41 -0.01 0.00 -1.54 0.00 0.00 39.78 37.38 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 0.70 -2.93 -4.70 6.41 3.02 0.13 -4.97 115.26 112.92 2d90 n ASN 51 Ca 0.07 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 2d90 n ASN 51 Cb 0.37 -2.01 -0.04 0.00 -0.61 0.00 0.00 39.78 37.49 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 -2.73 7.09 -0.26 6.41 1.11 -0.87 -4.70 116.67 122.72 2d90 s ASP 52 Ca 0.00 1.32 -0.15 0.00 0.18 0.00 0.00 52.55 53.90 2d90 s ASP 52 Cb 0.00 -2.48 -0.04 0.00 1.07 0.00 0.00 42.92 41.48 2d90 s ASP 52 CO 0.00 -0.27 0.37 -0.22 1.18 0.00 0.00 175.17 176.23 2d90 s LEU 53 N 1.40 4.06 -0.20 1.23 1.98 -1.25 -0.59 118.68 125.30 2d90 s LEU 53 Ca 0.42 0.32 -0.11 0.00 -2.89 0.00 0.00 54.13 51.87 2d90 s LEU 53 Cb -0.18 -2.43 -0.05 0.00 0.66 0.00 0.00 46.19 44.19 2d90 s LEU 53 CO 0.19 -0.16 0.16 -0.69 -1.89 0.00 0.00 176.35 173.96 2d90 s VAL 54 N 1.91 5.39 -0.04 1.68 1.01 0.74 -2.33 120.40 128.76 2d90 s VAL 54 Ca 0.15 0.25 0.13 0.00 0.00 0.00 0.00 61.98 62.51 2d90 s VAL 54 Cb -0.16 -3.50 -0.19 0.00 0.00 0.00 0.00 36.38 32.53 2d90 s VAL 54 CO 0.09 0.42 0.24 1.33 0.00 0.00 0.00 175.10 177.19 2d90 n VAL 55 N 3.62 0.15 -3.83 2.92 0.24 -0.71 -1.36 118.33 119.36 2d90 n VAL 55 Ca -0.15 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 2d90 n VAL 55 Cb 0.52 0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.80 -0.49 -0.04 2.33 0.00 -1.23 -2.44 121.76 117.09 2d90 s ALA 56 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.02 2d90 s ALA 56 Cb 0.08 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2d90 s ALA 56 CO 0.54 -0.21 -0.03 0.08 0.00 0.00 0.00 175.76 176.14 2d90 s VAL 57 N -1.18 0.38 -1.65 0.00 1.01 -0.20 -1.61 120.40 117.14 2d90 s VAL 57 Ca -0.13 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2d90 s VAL 57 Cb -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.89 2d90 s VAL 57 CO 0.02 0.19 0.00 0.59 0.00 0.00 0.00 175.10 175.90 2d90 n ASN 58 N 4.03 -4.99 -0.76 3.32 3.02 0.71 -1.39 115.26 119.20 2d90 n ASN 58 Ca -0.26 0.20 -0.03 0.00 -0.03 0.00 0.00 54.58 54.46 2d90 n ASN 58 Cb 0.51 -4.29 0.01 0.00 -0.61 0.00 0.00 39.78 35.40 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 -0.72 0.67 3.08 7.41 0.00 -1.26 -5.01 105.19 109.35 2d90 n GLY 59 Ca -0.20 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.95 0.23 -0.01 1.61 -0.14 -0.49 -5.12 119.74 110.88 2d90 s LYS 60 Ca 0.06 0.53 -0.32 0.00 -1.36 0.00 0.00 55.97 54.88 2d90 s LYS 60 Cb -0.03 -0.09 -0.10 0.00 -1.68 0.00 0.00 37.83 35.93 2d90 s LYS 60 CO 0.07 -0.15 1.92 0.43 -0.76 0.00 0.00 175.35 176.86 2d90 n SER 61 N 4.09 3.84 -0.01 2.83 7.64 -1.26 -1.04 113.62 129.72 2d90 n SER 61 Ca -0.24 0.94 -0.01 0.00 1.01 0.00 0.00 58.87 60.57 2d90 n SER 61 Cb 0.54 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.26 2d90 n SER 61 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2d90 n VAL 62 N 5.29 0.16 -0.34 0.44 0.24 -1.02 -4.64 118.33 118.45 2d90 n VAL 62 Ca 0.21 -0.09 0.34 0.00 -2.04 0.00 0.00 64.34 62.75 2d90 n VAL 62 Cb 0.36 -0.91 0.52 0.00 -1.47 0.00 0.00 33.84 32.33 2d90 n VAL 62 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2d90 n GLU 63 N -2.13 0.01 0.04 7.34 0.00 -1.04 0.23 120.64 125.09 2d90 n GLU 63 Ca -0.04 0.98 -0.20 0.00 0.00 0.00 0.00 57.16 57.91 2d90 n GLU 63 Cb 0.57 -2.39 -0.12 0.00 0.00 0.00 0.00 31.44 29.51 2d90 n GLU 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d90 h ALA 64 N 0.62 0.04 -1.97 -1.84 0.00 -1.87 -3.33 119.26 110.91 2d90 h ALA 64 Ca 0.59 -0.66 -0.39 0.00 0.00 0.00 0.00 54.91 54.45 2d90 h ALA 64 Cb 3.01 0.07 0.21 0.00 0.00 0.00 0.00 17.79 21.08 2d90 h ALA 64 CO -0.01 0.50 -0.08 -0.51 0.00 0.00 0.00 179.25 179.16 2d90 s LEU 65 N -8.12 -0.83 0.54 0.00 1.43 0.63 -5.06 118.68 107.27 2d90 s LEU 65 Ca -0.12 0.81 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 2d90 s LEU 65 Cb 0.04 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 44.02 2d90 s LEU 65 CO 0.87 -5.20 0.40 -1.81 0.23 0.00 0.00 176.35 170.84 2d90 s ASP 66 N -3.28 4.64 0.15 2.29 1.01 -1.26 -4.75 116.67 115.46 2d90 s ASP 66 Ca 0.69 -1.22 -0.21 0.00 0.71 0.00 0.00 52.55 52.52 2d90 s ASP 66 Cb -0.12 0.36 0.04 0.00 1.01 0.00 0.00 42.92 44.21 2d90 s ASP 66 CO 0.58 -1.07 1.26 1.57 0.21 0.00 0.00 175.17 177.71 2d90 n HIS 67 N -1.74 -0.21 0.35 4.23 -0.00 -1.26 -0.10 115.22 116.49 2d90 n HIS 67 Ca -0.01 1.01 -0.18 0.00 -0.00 0.00 0.00 57.72 58.54 2d90 n HIS 67 Cb 0.64 -0.66 -0.09 0.00 -0.00 0.00 0.00 29.99 29.88 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 -0.83 -0.24 0.26 3.32 -1.96 0.00 116.42 116.97 2d90 h ASP 68 Ca 0.19 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.31 2d90 h ASP 68 Cb 0.39 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.11 2d90 h ASP 68 CO -0.78 -0.56 -0.51 1.23 -1.72 0.00 0.00 179.24 176.90 2d90 h GLY 69 N -0.90 -1.11 0.49 2.75 0.00 -1.19 0.48 103.07 103.59 2d90 h GLY 69 Ca -0.08 0.71 0.04 0.00 0.00 0.00 0.00 47.33 48.00 2d90 h GLY 69 CO 0.12 -0.20 -0.12 -2.08 0.00 0.00 0.00 176.54 174.25 2d90 h VAL 70 N -0.46 0.65 0.00 4.60 2.07 -0.50 0.68 116.25 123.29 2d90 h VAL 70 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2d90 h VAL 70 Cb 0.59 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2d90 h VAL 70 CO -0.47 0.00 0.00 0.58 0.02 0.00 0.00 177.57 177.70 2d90 h VAL 71 N -0.13 0.00 0.14 2.57 2.07 -0.39 -2.09 116.25 118.42 2d90 h VAL 71 Ca 0.10 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.31 2d90 h VAL 71 Cb 0.27 0.78 0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2d90 h VAL 71 CO -0.24 0.00 -1.05 -0.08 0.02 0.00 0.00 177.57 176.22 2d90 h GLU 72 N 0.00 0.46 -0.92 1.57 4.57 0.23 -3.20 114.58 117.29 2d90 h GLU 72 Ca 0.00 -0.68 0.12 0.00 -1.18 0.00 0.00 59.36 57.61 2d90 h GLU 72 Cb 0.09 0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 2d90 h GLU 72 CO 0.00 1.31 0.59 0.52 -1.18 0.00 0.00 179.01 180.25 2d90 h MET 73 N -0.05 0.83 -0.42 1.92 2.86 -0.81 -0.69 114.93 118.57 2d90 h MET 73 Ca -0.17 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.31 2d90 h MET 73 Cb 1.79 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 33.24 2d90 h MET 73 CO 0.20 0.55 -0.17 0.82 1.06 0.00 0.00 176.91 179.37 2d90 h ILE 74 N 0.86 1.27 0.00 -1.22 2.04 -1.62 -2.51 117.51 116.32 2d90 h ILE 74 Ca 0.45 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 2d90 h ILE 74 Cb 0.52 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2d90 h ILE 74 CO -0.21 0.43 -0.07 0.03 0.00 0.00 0.00 178.15 178.33 2d90 h ARG 75 N 0.71 0.00 -0.22 2.37 3.08 -1.13 -1.51 114.38 117.67 2d90 h ARG 75 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2d90 h ARG 75 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2d90 h ARG 75 CO 0.05 0.07 0.00 1.63 -1.07 0.00 0.00 179.97 180.65 2d90 n LYS 76 N -3.30 1.71 0.12 0.04 5.02 -0.87 -3.76 118.16 117.12 2d90 n LYS 76 Ca -0.01 -1.08 0.12 0.00 -2.02 0.00 0.00 58.31 55.32 2d90 n LYS 76 Cb 0.27 -1.34 0.09 0.00 -0.02 0.00 0.00 35.03 34.03 2d90 n LYS 76 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2d90 h GLY 77 N 5.13 0.00 0.00 0.72 0.00 -1.25 -3.50 103.07 104.17 2d90 h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d90 h GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2d90 n GLY 78 N 1.20 1.68 0.06 4.60 0.00 -1.25 -4.04 105.19 107.44 2d90 n GLY 78 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 2d90 n GLY 78 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2d90 h ASP 79 N 0.00 0.00 -3.50 1.61 1.82 -1.95 -3.47 116.42 110.94 2d90 h ASP 79 Ca 0.00 -0.08 -0.66 0.00 -0.39 0.00 0.00 57.03 55.90 2d90 h ASP 79 Cb 0.00 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 39.85 2d90 h ASP 79 CO 0.00 0.66 -0.75 0.00 -1.61 0.00 0.00 179.24 177.53 2d90 s GLN 80 N -1.87 2.02 0.02 0.28 -2.07 -1.26 -1.10 119.66 115.69 2d90 s GLN 80 Ca -0.07 -1.11 -0.03 0.00 -1.82 0.00 0.00 55.36 52.32 2d90 s GLN 80 Cb 0.01 -2.23 -0.01 0.00 -1.09 0.00 0.00 33.01 29.69 2d90 s GLN 80 CO 0.14 0.49 0.05 -0.08 -1.32 0.00 0.00 175.29 174.56 2d90 s THR 81 N -1.29 0.12 -0.16 3.63 -1.32 -1.03 -4.77 115.64 110.82 2d90 s THR 81 Ca 0.21 -1.01 -0.06 0.00 -1.21 0.00 0.00 61.69 59.63 2d90 s THR 81 Cb -0.11 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 2d90 s THR 81 CO 0.13 -0.55 0.02 -0.89 -2.21 0.00 0.00 174.62 171.12 2d90 s THR 82 N -2.03 4.45 0.19 5.08 2.01 -1.26 -2.47 115.64 121.61 2d90 s THR 82 Ca -0.10 -0.16 0.09 0.00 0.31 0.00 0.00 61.69 61.83 2d90 s THR 82 Cb -0.05 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 2d90 s THR 82 CO -0.02 0.49 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.52 2d90 s LEU 83 N 0.24 2.91 -0.27 4.42 1.43 0.67 -0.20 118.68 127.88 2d90 s LEU 83 Ca 0.01 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2d90 s LEU 83 Cb -0.13 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.60 2d90 s LEU 83 CO 0.01 0.09 0.02 -0.22 0.23 0.00 0.00 176.35 176.49 2d90 s LEU 84 N -2.92 2.59 0.22 1.79 2.96 -0.64 -0.22 118.68 122.47 2d90 s LEU 84 Ca 0.25 -1.42 0.09 0.00 -0.22 0.00 0.00 54.13 52.83 2d90 s LEU 84 Cb -0.08 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 2d90 s LEU 84 CO 0.15 -0.32 -0.01 0.68 -1.32 0.00 0.00 176.35 175.52 2d90 s VAL 85 N 1.46 3.53 0.08 1.68 -7.23 -0.98 -1.73 120.40 117.21 2d90 s VAL 85 Ca 0.02 -1.70 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 2d90 s VAL 85 Cb -0.18 -2.83 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 2d90 s VAL 85 CO -0.13 -0.25 0.48 -0.76 -0.31 0.00 0.00 175.10 174.13 2d90 s LEU 86 N -3.32 4.41 -0.15 1.32 2.01 -0.98 0.26 118.68 122.23 2d90 s LEU 86 Ca 0.29 1.02 -0.01 0.00 0.01 0.00 0.00 54.13 55.44 2d90 s LEU 86 Cb -0.08 -2.96 -0.09 0.00 0.01 0.00 0.00 46.19 43.07 2d90 s LEU 86 CO 0.19 0.21 -0.14 -0.67 1.01 0.00 0.00 176.35 176.94 2d90 n ASP 87 N 1.25 2.45 0.08 2.29 -0.08 -1.26 -4.31 116.55 116.96 2d90 n ASP 87 Ca -0.09 -0.01 0.04 0.00 -1.51 0.00 0.00 54.79 53.22 2d90 n ASP 87 Cb 0.52 -0.28 -0.02 0.00 2.34 0.00 0.00 41.12 43.68 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 -0.13 0.00 -0.64 -0.67 3.11 -1.94 -3.30 116.57 113.00 2d90 h LYS 88 Ca -0.34 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.50 2d90 h LYS 88 Cb 1.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 2d90 h LYS 88 CO -0.10 0.24 0.00 0.39 -2.81 0.00 0.00 179.45 177.17 2d90 n GLU 89 N -2.92 4.16 -0.09 1.90 1.02 -1.26 -4.21 120.64 119.25 2d90 n GLU 89 Ca -0.04 -2.73 -0.19 0.00 -0.02 0.00 0.00 57.16 54.18 2d90 n GLU 89 Cb 0.72 -2.08 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d90 n ALA 90 N 0.69 1.25 -2.77 0.62 0.00 -1.24 -4.94 120.51 114.13 2d90 n ALA 90 Ca 0.24 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.57 2d90 n ALA 90 Cb 1.01 -0.27 -0.03 0.00 0.00 0.00 0.00 19.45 20.15 2d90 n ALA 90 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2d90 n GLU 91 N -3.38 -1.31 -2.04 0.00 0.28 -1.26 -4.69 120.64 108.24 2d90 n GLU 91 Ca -0.42 0.05 -0.40 0.00 -0.16 0.00 0.00 57.16 56.24 2d90 n GLU 91 Cb 1.00 -2.80 -0.02 0.00 1.43 0.00 0.00 31.44 31.04 2d90 n GLU 91 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2d90 n SER 92 N -1.08 3.90 -1.45 -1.84 7.64 -1.26 -4.72 113.62 114.81 2d90 n SER 92 Ca 0.05 -2.82 -0.09 0.00 1.01 0.00 0.00 58.87 57.02 2d90 n SER 92 Cb 0.28 -1.63 0.06 0.00 -1.01 0.00 0.00 64.21 61.92 2d90 n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2d90 n ILE 93 N 6.32 1.81 -4.79 0.44 5.41 -1.26 -4.84 119.36 122.44 2d90 n ILE 93 Ca 0.49 -0.70 -0.33 0.00 1.00 0.00 0.00 62.75 63.21 2d90 n ILE 93 Cb 0.44 -0.81 -0.14 0.00 -0.71 0.00 0.00 39.64 38.42 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2d90 s TYR 94 N -1.20 2.79 0.05 1.39 1.51 -1.26 -5.00 117.35 115.64 2d90 s TYR 94 Ca 0.21 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2d90 s TYR 94 Cb 0.17 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2d90 s TYR 94 CO 0.04 -0.06 0.00 0.45 -1.11 0.00 0.00 175.55 174.87 2d90 n SER 95 N 3.11 0.39 -4.43 2.29 2.88 -1.26 -5.02 113.62 111.58 2d90 n SER 95 Ca -0.18 0.07 -0.38 0.00 -1.33 0.00 0.00 58.87 57.06 2d90 n SER 95 Cb 0.53 -0.10 -0.09 0.00 -0.75 0.00 0.00 64.21 63.80 2d90 n SER 95 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2d90 n LEU 96 N -3.17 -0.87 -3.70 2.46 7.94 -1.26 -4.90 117.00 113.50 2d90 n LEU 96 Ca 0.00 -1.25 -0.11 0.00 -1.11 0.00 0.00 56.01 53.54 2d90 n LEU 96 Cb 0.26 -1.58 -0.11 0.00 0.53 0.00 0.00 43.42 42.53 2d90 n LEU 96 CO 0.00 0.24 0.05 -0.94 -1.11 0.00 0.00 177.39 175.63 2d90 s SER 97 N -3.69 -0.49 0.00 1.96 1.04 -1.26 -5.15 113.70 106.12 2d90 s SER 97 Ca 0.50 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.79 2d90 s SER 97 Cb -0.29 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2d90 s SER 97 CO 1.01 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.66 2d90 n GLY 98 N 4.01 4.11 3.73 7.32 0.00 -1.26 -5.13 105.19 117.97 2d90 n GLY 98 Ca -0.22 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.59 4.38 -0.22 1.61 0.04 -1.26 -5.02 135.00 131.94 2d90 s PRO 99 Ca 0.00 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 2d90 s PRO 99 Cb 0.00 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2d90 s PRO 99 CO 0.00 -0.29 0.06 -1.12 0.04 0.00 0.00 177.00 175.69 2d90 s SER 100 N 0.53 5.25 0.01 6.66 0.01 -1.26 -5.09 113.70 119.80 2d90 s SER 100 Ca 0.58 -0.12 -0.09 0.00 1.31 0.00 0.00 55.95 57.63 2d90 s SER 100 Cb -0.36 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 2d90 s SER 100 CO 0.36 0.04 0.31 -0.44 0.41 0.00 0.00 173.24 173.92 2d90 s SER 101 N 1.18 6.59 0.00 2.44 0.01 -1.26 -5.35 113.70 117.30 2d90 s SER 101 Ca 0.04 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2d90 s SER 101 Cb -0.14 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2d90 s SER 101 CO 0.03 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.56