#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 -2.42 -4.40 1.61 3.41 -1.26 -4.88 113.62 105.67 2d90 n SER 2 Ca 0.00 0.41 -0.45 0.00 -0.26 0.00 0.00 58.87 58.57 2d90 n SER 2 Cb 0.00 -1.13 -0.01 0.00 -0.26 0.00 0.00 64.21 62.80 2d90 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d90 s SER 3 N -1.65 6.90 -0.15 4.04 0.01 -1.26 -4.76 113.70 116.83 2d90 s SER 3 Ca 0.57 -2.73 -0.02 0.00 1.31 0.00 0.00 55.95 55.08 2d90 s SER 3 Cb -0.26 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.66 2d90 s SER 3 CO 0.67 -0.72 0.05 0.61 0.41 0.00 0.00 173.24 174.25 2d90 n GLY 4 N 4.27 -2.62 3.79 3.44 0.00 -1.26 -4.92 105.19 107.89 2d90 n GLY 4 Ca 0.25 0.52 -0.35 0.00 0.00 0.00 0.00 46.02 46.44 2d90 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d90 s SER 5 N -1.04 6.35 -0.12 1.61 1.04 -1.26 -5.04 113.70 115.24 2d90 s SER 5 Ca -0.05 2.01 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 2d90 s SER 5 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2d90 s SER 5 CO 0.45 -0.77 0.04 -0.94 0.98 0.00 0.00 173.24 172.99 2d90 s SER 6 N -1.82 5.49 0.00 7.02 1.04 -1.26 -4.96 113.70 119.21 2d90 s SER 6 Ca 0.66 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2d90 s SER 6 Cb -0.19 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2d90 s SER 6 CO 0.23 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.37 2d90 n GLY 7 N 2.61 -0.43 3.97 7.32 0.00 -1.26 -5.03 105.19 112.37 2d90 n GLY 7 Ca -0.18 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.96 3.31 -0.19 1.61 1.70 0.90 -4.92 118.95 117.40 2d90 s ARG 8 Ca 0.00 -0.80 -0.06 0.00 -0.47 0.00 0.00 55.73 54.40 2d90 s ARG 8 Cb 0.00 -2.83 -0.03 0.00 -0.57 0.00 0.00 34.95 31.52 2d90 s ARG 8 CO 0.00 0.24 0.03 0.08 -1.08 0.00 0.00 175.30 174.56 2d90 s VAL 9 N -2.11 4.35 0.08 4.99 1.01 -1.26 -2.52 120.40 124.94 2d90 s VAL 9 Ca 0.39 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.26 2d90 s VAL 9 Cb -0.09 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2d90 s VAL 9 CO 0.31 0.45 -0.14 -0.69 0.00 0.00 0.00 175.10 175.02 2d90 s VAL 10 N 0.65 3.09 -0.05 2.92 1.01 0.36 -4.95 120.40 123.43 2d90 s VAL 10 Ca 0.01 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 2d90 s VAL 10 Cb -0.14 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2d90 s VAL 10 CO 0.02 0.20 -0.00 -0.69 0.00 0.00 0.00 175.10 174.63 2d90 s VAL 11 N -1.09 0.27 0.08 2.92 1.01 -1.26 -0.69 120.40 121.63 2d90 s VAL 11 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2d90 s VAL 11 Cb -0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2d90 s VAL 11 CO 0.10 0.20 -0.08 -0.63 0.00 0.00 0.00 175.10 174.68 2d90 s ILE 12 N 1.40 0.73 -0.10 2.22 1.01 -1.22 -4.73 121.20 120.50 2d90 s ILE 12 Ca -0.04 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.11 2d90 s ILE 12 Cb -0.13 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.20 2d90 s ILE 12 CO -0.03 -0.57 -0.10 -0.54 0.00 0.00 0.00 174.94 173.71 2d90 s LYS 13 N -2.59 1.69 0.39 2.79 3.01 -1.26 -2.40 119.74 121.37 2d90 s LYS 13 Ca 0.01 -0.34 -0.22 0.00 -1.01 0.00 0.00 55.97 54.41 2d90 s LYS 13 Cb -0.04 -1.61 -0.16 0.00 -1.01 0.00 0.00 37.83 35.02 2d90 s LYS 13 CO -0.01 -0.18 0.15 1.17 0.51 0.00 0.00 175.35 176.98 2d90 n LYS 14 N 4.61 0.03 0.00 1.68 3.00 -0.31 -4.80 118.16 122.37 2d90 n LYS 14 Ca -0.16 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 2d90 n LYS 14 Cb 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.51 2d90 n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2d90 n GLY 15 N 2.28 -0.36 3.63 3.14 0.00 0.75 -4.99 105.19 109.64 2d90 n GLY 15 Ca 0.12 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.33 2d90 n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d90 s SER 16 N -4.00 6.10 -1.46 1.61 1.04 -1.26 -2.37 113.70 113.35 2d90 s SER 16 Ca 0.00 2.03 -0.10 0.00 0.48 0.00 0.00 55.95 58.35 2d90 s SER 16 Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.65 2d90 s SER 16 CO 0.00 -1.43 0.97 0.59 0.98 0.00 0.00 173.24 174.35 2d90 n ASN 17 N 9.24 -4.39 0.00 7.02 4.13 -1.26 -4.35 115.26 125.65 2d90 n ASN 17 Ca 0.23 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.74 2d90 n ASN 17 Cb 0.44 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.55 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d90 n GLY 18 N -1.71 1.97 0.11 7.41 0.00 -1.00 -3.90 105.19 108.06 2d90 n GLY 18 Ca -0.03 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 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 4.53 0.06 0.00 1.61 4.01 -1.26 -0.18 117.16 125.93 2d90 n TYR 19 Ca 0.00 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2d90 n TYR 19 Cb 0.00 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.34 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 1.40 1.89 3.64 2.72 0.00 -1.25 -1.22 105.19 112.36 2d90 n GLY 20 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.65 3.12 0.32 1.61 -0.71 -1.26 -1.25 117.98 118.16 2d90 s PHE 21 Ca 0.00 0.09 0.07 0.00 -1.04 0.00 0.00 56.93 56.05 2d90 s PHE 21 Cb 0.00 -1.83 -0.02 0.00 -1.21 0.00 0.00 43.02 39.96 2d90 s PHE 21 CO 0.00 0.35 0.34 0.71 -1.34 0.00 0.00 175.22 175.28 2d90 s TYR 22 N -0.59 3.04 -0.11 3.49 2.02 -1.17 -5.00 117.35 119.04 2d90 s TYR 22 Ca 0.10 -0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2d90 s TYR 22 Cb -0.12 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2d90 s TYR 22 CO 0.02 0.19 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.60 2d90 s LEU 23 N -4.03 1.25 -0.01 -1.29 1.43 -1.26 -3.09 118.68 111.68 2d90 s LEU 23 Ca 0.40 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 2d90 s LEU 23 Cb -0.07 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 2d90 s LEU 23 CO 0.28 -0.10 -0.25 -0.60 0.23 0.00 0.00 176.35 175.90 2d90 s ARG 24 N 1.60 2.02 -0.47 1.70 3.00 -0.77 -4.97 118.95 121.05 2d90 s ARG 24 Ca 0.03 -0.93 -0.26 0.00 -1.00 0.00 0.00 55.73 53.57 2d90 s ARG 24 Cb -0.13 -1.98 -0.06 0.00 0.00 0.00 0.00 34.95 32.78 2d90 s ARG 24 CO -0.07 0.54 2.31 0.00 0.00 0.00 0.00 175.30 178.08 2d90 s ALA 25 N -0.62 1.84 1.00 6.12 0.00 -1.26 -2.89 121.76 125.94 2d90 s ALA 25 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2d90 s ALA 25 Cb -0.10 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2d90 s ALA 25 CO -0.01 -4.18 0.00 0.41 0.00 0.00 0.00 175.76 171.98 2d90 n GLY 26 N 5.93 -1.58 3.60 0.00 0.00 -1.26 -5.00 105.19 106.88 2d90 n GLY 26 Ca 0.34 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2d90 n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d90 s PRO 27 N 0.00 -1.05 0.45 1.61 0.04 -1.26 -4.84 135.00 129.94 2d90 s PRO 27 Ca 0.00 -0.00 0.33 0.00 0.04 0.00 0.00 61.00 61.37 2d90 s PRO 27 Cb 0.00 -1.61 1.51 0.00 0.04 0.00 0.00 34.50 34.44 2d90 s PRO 27 CO 0.00 -3.61 1.58 1.05 0.04 0.00 0.00 177.00 176.06 2d90 h GLU 28 N -2.51 0.00 -6.02 4.56 4.11 -1.99 -3.41 114.58 109.32 2d90 h GLU 28 Ca -0.46 -0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.39 2d90 h GLU 28 Cb 1.30 -0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.76 2d90 h GLU 28 CO 0.37 0.00 -1.47 1.04 0.07 0.00 0.00 179.01 179.03 2d90 n GLN 29 N -4.72 0.01 -3.16 1.06 1.13 -1.26 -4.90 117.38 105.54 2d90 n GLN 29 Ca 0.41 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 55.08 2d90 n GLN 29 Cb 1.59 -1.02 -0.06 0.00 0.11 0.00 0.00 30.24 30.85 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2d90 s LYS 30 N -1.52 4.35 0.00 -1.09 -0.14 -1.26 -4.93 119.74 115.14 2d90 s LYS 30 Ca 0.49 0.86 0.00 0.00 -1.36 0.00 0.00 55.97 55.96 2d90 s LYS 30 Cb -0.35 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 2d90 s LYS 30 CO 0.74 0.49 0.00 0.41 -0.76 0.00 0.00 175.35 176.23 2d90 n GLY 31 N 2.03 2.75 3.85 -3.33 0.00 -1.15 -4.78 105.19 104.57 2d90 n GLY 31 Ca -0.07 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.78 3.84 -0.13 1.61 -1.52 -0.98 -4.55 119.66 114.15 2d90 s GLN 32 Ca 0.00 0.29 -0.11 0.00 -1.95 0.00 0.00 55.36 53.59 2d90 s GLN 32 Cb 0.00 -3.06 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 2d90 s GLN 32 CO 0.00 0.59 0.24 0.42 -0.25 0.00 0.00 175.29 176.30 2d90 s ILE 33 N -1.30 5.33 0.16 1.08 1.01 -1.14 -0.93 121.20 125.40 2d90 s ILE 33 Ca 0.30 0.45 -0.19 0.00 0.00 0.00 0.00 60.65 61.21 2d90 s ILE 33 Cb -0.15 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 2d90 s ILE 33 CO 0.17 0.50 0.65 -0.63 0.00 0.00 0.00 174.94 175.62 2d90 s ILE 34 N -0.25 4.65 0.22 2.92 1.01 -0.10 -1.85 121.20 127.80 2d90 s ILE 34 Ca 0.16 1.22 -0.23 0.00 0.00 0.00 0.00 60.65 61.80 2d90 s ILE 34 Cb -0.13 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.51 2d90 s ILE 34 CO 0.05 0.35 0.85 -1.59 0.00 0.00 0.00 174.94 174.60 2d90 s LYS 35 N -1.63 1.50 -1.36 2.79 -2.85 -1.18 0.07 119.74 117.09 2d90 s LYS 35 Ca 0.37 -0.84 -0.03 0.00 -1.00 0.00 0.00 55.97 54.47 2d90 s LYS 35 Cb -0.18 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.12 2d90 s LYS 35 CO 0.21 -0.69 0.78 -0.25 0.10 0.00 0.00 175.35 175.50 2d90 n ASP 36 N -0.52 -2.13 -4.77 0.03 9.92 -1.26 -3.02 116.55 114.81 2d90 n ASP 36 Ca -0.05 -0.80 -0.39 0.00 -0.53 0.00 0.00 54.79 53.02 2d90 n ASP 36 Cb 0.60 -4.07 -0.02 0.00 -0.64 0.00 0.00 41.12 36.99 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2d90 s ILE 37 N -3.57 2.93 0.02 0.53 1.01 -1.26 -4.53 121.20 116.32 2d90 s ILE 37 Ca 0.17 0.85 -0.12 0.00 0.00 0.00 0.00 60.65 61.55 2d90 s ILE 37 Cb -0.08 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2d90 s ILE 37 CO 0.81 0.14 0.37 -1.61 0.00 0.00 0.00 174.94 174.66 2d90 s GLU 38 N -2.03 3.79 0.71 2.79 2.02 -0.38 -5.04 118.70 120.56 2d90 s GLU 38 Ca 0.53 0.24 -0.13 0.00 0.02 0.00 0.00 54.97 55.63 2d90 s GLU 38 Cb -0.35 -3.12 0.02 0.00 0.10 0.00 0.00 34.13 30.78 2d90 s GLU 38 CO 0.46 0.64 1.10 -1.25 0.02 0.00 0.00 175.26 176.23 2d90 s PRO 39 N -1.45 2.56 -0.35 0.39 0.04 -1.26 -3.19 135.00 131.75 2d90 s PRO 39 Ca 0.27 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2d90 s PRO 39 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2d90 s PRO 39 CO 0.15 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.17 2d90 n GLY 40 N -0.83 0.07 3.95 0.56 0.00 -1.26 -4.88 105.19 102.80 2d90 n GLY 40 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.52 6.34 0.58 1.61 1.04 -1.19 -4.90 113.70 115.67 2d90 s SER 41 Ca 0.00 0.21 0.32 0.00 0.48 0.00 0.00 55.95 56.96 2d90 s SER 41 Cb 0.00 -1.93 1.39 0.00 0.10 0.00 0.00 66.02 65.59 2d90 s SER 41 CO 0.00 -0.00 1.73 -0.65 0.98 0.00 0.00 173.24 175.30 2d90 h PRO 42 N 1.89 0.00 0.13 4.02 0.11 -1.68 0.15 132.00 136.62 2d90 h PRO 42 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2d90 h PRO 42 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.67 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.39 2d90 h ALA 43 N 1.22 -0.18 -0.68 -0.75 0.00 -1.48 -1.19 119.26 116.22 2d90 h ALA 43 Ca 0.41 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2d90 h ALA 43 Cb 1.99 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 2d90 h ALA 43 CO -0.00 -0.20 0.41 1.49 0.00 0.00 0.00 179.25 180.95 2d90 h GLU 44 N -0.99 0.92 -0.07 0.00 4.57 -1.40 -2.29 114.58 115.33 2d90 h GLU 44 Ca -0.02 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 57.96 2d90 h GLU 44 Cb 0.40 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2d90 h GLU 44 CO 0.03 0.65 -0.48 0.00 -1.18 0.00 0.00 179.01 178.03 2d90 h ALA 45 N 1.21 1.07 -0.22 2.92 0.00 -0.88 -2.92 119.26 120.45 2d90 h ALA 45 Ca 0.24 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2d90 h ALA 45 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2d90 h ALA 45 CO -0.05 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.92 2d90 h ALA 46 N 1.37 1.73 0.00 0.00 0.00 -0.64 -3.46 119.26 118.27 2d90 h ALA 46 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2d90 h ALA 46 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2d90 h ALA 46 CO 0.07 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2d90 n GLY 47 N -1.33 1.22 1.66 0.00 0.00 -1.08 -4.78 105.19 100.89 2d90 n GLY 47 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.06 -5.05 117.00 113.01 2d90 n LEU 48 Ca 0.00 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.56 2d90 n LEU 48 Cb 0.00 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 2d90 n LEU 48 CO 0.00 -2.02 0.39 -0.54 -1.33 0.00 0.00 177.39 173.89 2d90 s LYS 49 N -3.18 0.74 0.46 3.23 1.02 -1.26 -4.94 119.74 115.80 2d90 s LYS 49 Ca 0.25 1.13 -0.23 0.00 0.02 0.00 0.00 55.97 57.14 2d90 s LYS 49 Cb -0.04 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.40 2d90 s LYS 49 CO 0.21 -0.13 0.98 0.09 -0.92 0.00 0.00 175.35 175.58 2d90 n ASN 50 N 3.73 1.08 -1.34 2.83 4.13 -1.26 -2.32 115.26 122.12 2d90 n ASN 50 Ca -0.18 0.98 -0.11 0.00 1.68 0.00 0.00 54.58 56.96 2d90 n ASN 50 Cb 0.58 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.47 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 0.30 -3.59 -4.62 6.41 4.13 0.11 -4.97 115.26 113.02 2d90 n ASN 51 Ca 0.10 -0.05 -0.41 0.00 1.68 0.00 0.00 54.58 55.90 2d90 n ASN 51 Cb 0.41 -2.73 -0.06 0.00 -1.54 0.00 0.00 39.78 35.86 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 -2.63 6.58 -0.24 6.41 1.11 -0.98 -4.74 116.67 122.18 2d90 s ASP 52 Ca 0.05 0.66 -0.18 0.00 0.18 0.00 0.00 52.55 53.26 2d90 s ASP 52 Cb -0.02 -2.35 -0.03 0.00 1.07 0.00 0.00 42.92 41.59 2d90 s ASP 52 CO 0.06 -0.42 0.50 -0.22 1.18 0.00 0.00 175.17 176.27 2d90 s LEU 53 N 2.58 4.08 -0.19 1.23 2.96 -1.26 -0.93 118.68 127.16 2d90 s LEU 53 Ca 0.27 0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 54.63 2d90 s LEU 53 Cb -0.15 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 2d90 s LEU 53 CO 0.09 -0.24 0.16 -0.69 -1.32 0.00 0.00 176.35 174.35 2d90 s VAL 54 N 2.04 5.40 -0.06 1.68 1.01 -0.11 -2.18 120.40 128.18 2d90 s VAL 54 Ca 0.22 0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.54 2d90 s VAL 54 Cb -0.15 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 2d90 s VAL 54 CO 0.09 0.44 0.11 1.33 0.00 0.00 0.00 175.10 177.07 2d90 n VAL 55 N 3.50 0.41 -4.01 2.92 0.24 -0.77 -2.33 118.33 118.29 2d90 n VAL 55 Ca -0.15 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 2d90 n VAL 55 Cb 0.52 -0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.44 0.26 -0.10 2.33 0.00 -1.24 -0.69 121.76 119.88 2d90 s ALA 56 Ca -0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 2d90 s ALA 56 Cb 0.04 0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.33 2d90 s ALA 56 CO 0.42 -0.13 0.03 0.08 0.00 0.00 0.00 175.76 176.16 2d90 s VAL 57 N -1.53 0.22 -1.30 0.00 1.01 0.81 -1.45 120.40 118.16 2d90 s VAL 57 Ca -0.14 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 2d90 s VAL 57 Cb -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2d90 s VAL 57 CO -0.01 0.07 1.14 0.59 0.00 0.00 0.00 175.10 176.89 2d90 n ASN 58 N 5.18 -6.01 -1.81 3.32 3.02 0.45 -2.38 115.26 117.03 2d90 n ASN 58 Ca -0.06 -0.52 -0.12 0.00 -0.03 0.00 0.00 54.58 53.85 2d90 n ASN 58 Cb 0.49 -4.88 0.03 0.00 -0.61 0.00 0.00 39.78 34.81 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 -1.92 0.14 2.90 7.41 0.00 -1.26 -5.04 105.19 107.42 2d90 n GLY 59 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.35 0.05 -0.04 1.61 1.02 -1.00 -5.12 119.74 110.91 2d90 s LYS 60 Ca 0.21 0.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.05 2d90 s LYS 60 Cb -0.09 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 2d90 s LYS 60 CO 0.26 -0.06 1.48 -1.54 -0.92 0.00 0.00 175.35 174.57 2d90 s SER 61 N 0.39 6.79 0.00 2.83 1.04 -1.26 -0.13 113.70 123.36 2d90 s SER 61 Ca -0.03 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2d90 s SER 61 Cb -0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2d90 s SER 61 CO -0.01 -0.80 0.00 1.33 0.98 0.00 0.00 173.24 174.73 2d90 n VAL 62 N 5.02 0.00 -0.03 5.02 0.24 0.14 -4.70 118.33 124.02 2d90 n VAL 62 Ca 0.15 -0.21 0.23 0.00 -2.04 0.00 0.00 64.34 62.47 2d90 n VAL 62 Cb 0.43 0.73 0.72 0.00 -1.47 0.00 0.00 33.84 34.25 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 4.11 -1.23 0.55 114.58 125.35 2d90 h GLU 63 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 2d90 h GLU 63 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2d90 h GLU 63 CO 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 179.01 178.49 2d90 h ALA 64 N 1.56 0.71 -3.57 1.06 0.00 -1.85 -3.05 119.26 114.12 2d90 h ALA 64 Ca 0.29 -0.41 -0.38 0.00 0.00 0.00 0.00 54.91 54.40 2d90 h ALA 64 Cb 1.31 -0.01 0.17 0.00 0.00 0.00 0.00 17.79 19.26 2d90 h ALA 64 CO -0.00 0.53 0.24 1.28 0.00 0.00 0.00 179.25 181.30 2d90 n LEU 65 N -3.12 0.00 0.00 0.00 4.77 0.19 -5.06 117.00 113.79 2d90 n LEU 65 Ca 0.00 -1.21 -0.24 0.00 -0.03 0.00 0.00 56.01 54.54 2d90 n LEU 65 Cb 0.71 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2d90 n LEU 65 CO 0.40 -1.76 -0.09 -0.90 -1.33 0.00 0.00 177.39 173.71 2d90 n ASP 66 N -4.31 2.80 -0.06 -1.43 5.68 -1.26 -4.80 116.55 113.18 2d90 n ASP 66 Ca 0.15 -2.64 -0.02 0.00 -0.50 0.00 0.00 54.79 51.78 2d90 n ASP 66 Cb 0.54 0.15 -0.01 0.00 -1.14 0.00 0.00 41.12 40.66 2d90 n ASP 66 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2d90 n HIS 67 N -1.21 -0.06 0.16 2.11 -0.00 -1.26 -0.28 115.22 114.68 2d90 n HIS 67 Ca -0.10 0.17 -0.16 0.00 -0.00 0.00 0.00 57.72 57.64 2d90 n HIS 67 Cb 0.50 -0.47 -0.08 0.00 -0.00 0.00 0.00 29.99 29.94 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 -1.29 -0.79 0.26 3.32 -1.96 0.48 116.42 116.43 2d90 h ASP 68 Ca 0.02 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.28 2d90 h ASP 68 Cb 0.06 0.47 -0.10 0.00 0.22 0.00 0.00 39.33 39.98 2d90 h ASP 68 CO -0.13 -0.54 -0.50 1.23 -1.72 0.00 0.00 179.24 177.59 2d90 h GLY 69 N -0.75 -1.14 0.82 2.75 0.00 -1.67 1.12 103.07 104.21 2d90 h GLY 69 Ca -0.00 0.84 0.02 0.00 0.00 0.00 0.00 47.33 48.19 2d90 h GLY 69 CO -0.20 -0.13 -0.01 -2.08 0.00 0.00 0.00 176.54 174.13 2d90 h VAL 70 N -0.04 0.92 0.00 4.60 2.07 -0.48 -0.76 116.25 122.56 2d90 h VAL 70 Ca 0.13 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2d90 h VAL 70 Cb 0.36 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2d90 h VAL 70 CO -0.76 0.01 0.00 0.58 0.02 0.00 0.00 177.57 177.41 2d90 h VAL 71 N 0.03 0.00 0.00 2.57 2.07 0.64 -2.70 116.25 118.87 2d90 h VAL 71 Ca 0.05 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2d90 h VAL 71 Cb 0.07 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2d90 h VAL 71 CO -0.09 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 177.42 2d90 h GLU 72 N 0.00 -0.00 -0.80 1.57 4.57 0.27 -3.24 114.58 116.95 2d90 h GLU 72 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 2d90 h GLU 72 Cb 0.11 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.62 2d90 h GLU 72 CO 0.00 0.82 0.41 0.52 -1.18 0.00 0.00 179.01 179.57 2d90 h MET 73 N -0.99 0.61 -0.95 1.92 2.86 -1.06 -0.37 114.93 116.95 2d90 h MET 73 Ca -0.00 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2d90 h MET 73 Cb 0.82 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 2d90 h MET 73 CO 0.00 0.41 0.62 0.82 1.06 0.00 0.00 176.91 179.81 2d90 h ILE 74 N 0.63 1.06 0.00 -1.22 2.04 -1.64 0.06 117.51 118.44 2d90 h ILE 74 Ca 0.41 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2d90 h ILE 74 Cb 0.51 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2d90 h ILE 74 CO -0.32 0.20 -0.22 0.03 0.00 0.00 0.00 178.15 177.84 2d90 h ARG 75 N 1.07 0.00 0.00 2.37 3.08 -1.11 -2.60 114.38 117.19 2d90 h ARG 75 Ca 0.42 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.43 2d90 h ARG 75 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2d90 h ARG 75 CO -0.17 0.22 -0.17 0.87 -1.07 0.00 0.00 179.97 179.66 2d90 h LYS 76 N 0.00 0.00 0.00 0.04 1.79 -0.34 -2.87 116.57 115.19 2d90 h LYS 76 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2d90 h LYS 76 Cb 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2d90 h LYS 76 CO 0.03 0.17 0.00 0.41 -1.08 0.00 0.00 179.45 178.98 2d90 n GLY 77 N 0.36 -0.70 7.00 3.86 0.00 -0.98 -4.98 105.19 109.74 2d90 n GLY 77 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.35 0.39 0.33 -0.02 0.00 -1.09 -3.89 105.19 101.26 2d90 n GLY 78 Ca 0.12 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 2d90 n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2d90 h ASP 79 N 8.66 -0.81 -2.48 1.61 2.03 -1.93 -3.44 116.42 120.07 2d90 h ASP 79 Ca 0.00 0.07 -0.53 0.00 -0.73 0.00 0.00 57.03 55.84 2d90 h ASP 79 Cb 0.00 0.28 -0.05 0.00 -0.83 0.00 0.00 39.33 38.73 2d90 h ASP 79 CO 0.00 -0.43 -0.52 0.00 -1.03 0.00 0.00 179.24 177.27 2d90 s GLN 80 N -6.04 3.08 -0.26 4.15 -2.07 -1.25 -1.17 119.66 116.10 2d90 s GLN 80 Ca -0.16 -0.85 -0.22 0.00 -1.82 0.00 0.00 55.36 52.30 2d90 s GLN 80 Cb 0.06 -2.72 0.07 0.00 -1.09 0.00 0.00 33.01 29.33 2d90 s GLN 80 CO 0.64 0.46 0.68 -0.08 -1.32 0.00 0.00 175.29 175.67 2d90 s THR 81 N -1.88 -0.00 -0.03 3.63 -1.32 -1.01 -4.61 115.64 110.42 2d90 s THR 81 Ca 0.32 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.59 2d90 s THR 81 Cb -0.10 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 2d90 s THR 81 CO 0.25 0.00 0.62 -0.89 -2.21 0.00 0.00 174.62 172.39 2d90 s THR 82 N 0.56 4.96 0.23 5.08 2.01 -1.26 -3.39 115.64 123.83 2d90 s THR 82 Ca -0.02 1.29 0.10 0.00 0.31 0.00 0.00 61.69 63.37 2d90 s THR 82 Cb -0.05 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2d90 s THR 82 CO -0.02 0.36 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.43 2d90 s LEU 83 N 0.16 2.98 -0.31 4.42 1.43 0.13 -0.41 118.68 127.08 2d90 s LEU 83 Ca 0.33 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2d90 s LEU 83 Cb -0.18 -1.57 0.10 0.00 0.03 0.00 0.00 46.19 44.57 2d90 s LEU 83 CO 0.17 0.05 0.08 -0.22 0.23 0.00 0.00 176.35 176.66 2d90 s LEU 84 N -3.29 2.76 0.08 1.79 2.96 -0.53 -0.49 118.68 121.96 2d90 s LEU 84 Ca 0.28 -1.70 0.05 0.00 -0.22 0.00 0.00 54.13 52.54 2d90 s LEU 84 Cb -0.07 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2d90 s LEU 84 CO 0.17 -0.40 -0.04 0.68 -1.32 0.00 0.00 176.35 175.44 2d90 s VAL 85 N 1.46 3.77 0.32 1.68 -7.23 -1.05 -1.84 120.40 117.51 2d90 s VAL 85 Ca 0.09 -1.03 -0.06 0.00 -1.81 0.00 0.00 61.98 59.17 2d90 s VAL 85 Cb -0.18 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 2d90 s VAL 85 CO -0.20 0.16 0.60 -0.76 -0.31 0.00 0.00 175.10 174.60 2d90 s LEU 86 N -2.12 4.00 -0.23 1.32 2.01 -0.92 -0.07 118.68 122.66 2d90 s LEU 86 Ca 0.23 0.80 -0.10 0.00 0.01 0.00 0.00 54.13 55.07 2d90 s LEU 86 Cb -0.11 -3.63 -0.10 0.00 0.01 0.00 0.00 46.19 42.35 2d90 s LEU 86 CO 0.15 -0.25 -0.28 -0.67 1.01 0.00 0.00 176.35 176.31 2d90 n ASP 87 N -1.07 1.72 0.22 2.29 -0.08 -1.26 -3.86 116.55 114.51 2d90 n ASP 87 Ca -0.01 0.23 0.11 0.00 -1.51 0.00 0.00 54.79 53.61 2d90 n ASP 87 Cb 0.54 -0.63 0.43 0.00 2.34 0.00 0.00 41.12 43.80 2d90 n ASP 87 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2d90 h LYS 88 N -0.71 0.00 -0.60 -0.67 5.09 -1.97 -2.74 116.57 114.98 2d90 h LYS 88 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.17 2d90 h LYS 88 Cb 1.54 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.87 2d90 h LYS 88 CO -0.32 0.19 0.00 0.39 -2.09 0.00 0.00 179.45 177.62 2d90 n GLU 89 N -3.29 2.64 -0.01 0.07 -0.58 -1.26 -4.37 120.64 113.85 2d90 n GLU 89 Ca 0.01 -2.51 -0.18 0.00 -0.42 0.00 0.00 57.16 54.05 2d90 n GLU 89 Cb 0.44 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.63 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 4.34 -0.01 -2.30 0.62 0.00 -1.59 -3.45 119.26 116.87 2d90 h ALA 90 Ca 0.00 -0.71 -0.55 0.00 0.00 0.00 0.00 54.91 53.65 2d90 h ALA 90 Cb 0.99 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2d90 h ALA 90 CO 0.00 0.32 0.66 -1.21 0.00 0.00 0.00 179.25 179.02 2d90 s GLU 91 N -2.36 4.37 -0.27 0.00 8.01 -1.26 -4.86 118.70 122.34 2d90 s GLU 91 Ca -0.17 1.59 -0.15 0.00 0.01 0.00 0.00 54.97 56.25 2d90 s GLU 91 Cb 0.00 -3.55 -0.04 0.00 -4.31 0.00 0.00 34.13 26.24 2d90 s GLU 91 CO 0.76 -0.40 0.36 -1.12 0.01 0.00 0.00 175.26 174.87 2d90 s SER 92 N 1.36 6.24 0.63 -0.19 0.01 -1.26 -5.06 113.70 115.43 2d90 s SER 92 Ca 0.54 0.28 -0.19 0.00 1.31 0.00 0.00 55.95 57.89 2d90 s SER 92 Cb -0.23 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 2d90 s SER 92 CO 0.21 -0.17 1.29 -0.63 0.41 0.00 0.00 173.24 174.35 2d90 s ILE 93 N 2.04 2.10 0.41 1.44 1.01 -1.26 -4.89 121.20 122.06 2d90 s ILE 93 Ca 0.15 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.65 2d90 s ILE 93 Cb -0.16 -3.03 -0.15 0.00 0.01 0.00 0.00 42.46 39.13 2d90 s ILE 93 CO 0.10 -0.01 0.15 0.00 0.00 0.00 0.00 174.94 175.18 2d90 n TYR 94 N -1.75 -1.89 -3.70 3.97 4.11 -1.26 -4.99 117.16 111.65 2d90 n TYR 94 Ca 0.15 0.61 -0.11 0.00 -0.00 0.00 0.00 57.90 58.55 2d90 n TYR 94 Cb 0.48 -1.81 -0.11 0.00 -0.00 0.00 0.00 39.34 37.90 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 -1.00 -0.46 -0.20 9.48 0.15 -1.26 -5.14 113.70 115.27 2d90 s SER 95 Ca 0.60 0.85 -0.14 0.00 0.70 0.00 0.00 55.95 57.96 2d90 s SER 95 Cb -0.62 0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2d90 s SER 95 CO 0.62 -0.19 0.31 -0.76 1.20 0.00 0.00 173.24 174.42 2d90 s LEU 96 N 1.48 4.17 0.14 3.45 1.43 -1.26 -5.08 118.68 123.00 2d90 s LEU 96 Ca -0.09 0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2d90 s LEU 96 Cb -0.09 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2d90 s LEU 96 CO -0.12 0.01 -0.10 -0.44 0.23 0.00 0.00 176.35 175.92 2d90 s SER 97 N 0.89 4.30 0.00 2.29 0.01 -1.26 -4.93 113.70 115.00 2d90 s SER 97 Ca 0.15 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2d90 s SER 97 Cb -0.14 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2d90 s SER 97 CO 0.06 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2d90 n GLY 98 N 0.40 -0.52 3.60 3.44 0.00 -1.26 -5.09 105.19 105.76 2d90 n GLY 98 Ca -0.12 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.63 -1.10 -0.24 1.61 0.04 -1.26 -4.87 135.00 128.56 2d90 s PRO 99 Ca 0.00 -0.02 -0.40 0.00 0.04 0.00 0.00 61.00 60.62 2d90 s PRO 99 Cb 0.00 -1.61 -0.16 0.00 0.04 0.00 0.00 34.50 32.77 2d90 s PRO 99 CO 0.00 -3.64 1.66 -1.13 0.04 0.00 0.00 177.00 173.93 2d90 n SER 100 N -4.72 2.13 -4.34 6.66 3.41 -1.26 -4.95 113.62 110.56 2d90 n SER 100 Ca 0.12 1.09 -0.32 0.00 -0.26 0.00 0.00 58.87 59.51 2d90 n SER 100 Cb 0.59 -1.12 -0.15 0.00 -0.26 0.00 0.00 64.21 63.27 2d90 n SER 100 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d90 s SER 101 N 2.98 3.31 0.00 4.04 0.15 -1.26 -5.33 113.70 117.59 2d90 s SER 101 Ca 0.97 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2d90 s SER 101 Cb -1.09 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2d90 s SER 101 CO 0.64 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.99