#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 5.55 -0.23 1.61 1.04 -1.26 -5.09 113.70 115.33 2d90 s SER 2 Ca 0.00 0.62 -0.04 0.00 0.48 0.00 0.00 55.95 57.02 2d90 s SER 2 Cb 0.00 -1.62 0.08 0.00 0.10 0.00 0.00 66.02 64.58 2d90 s SER 2 CO 0.00 -1.06 0.09 -0.44 0.98 0.00 0.00 173.24 172.80 2d90 s SER 3 N -4.31 3.04 0.00 7.02 0.01 -1.26 -5.04 113.70 113.16 2d90 s SER 3 Ca 0.54 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2d90 s SER 3 Cb -0.10 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2d90 s SER 3 CO 0.44 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2d90 n GLY 4 N 5.16 1.05 3.44 3.44 0.00 -1.26 -5.14 105.19 111.88 2d90 n GLY 4 Ca -0.07 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 2.66 0.15 1.61 1.04 -1.26 -5.17 113.70 112.73 2d90 s SER 5 Ca 0.00 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.20 2d90 s SER 5 Cb 0.00 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 2d90 s SER 5 CO 0.00 -0.45 -0.10 -0.94 0.98 0.00 0.00 173.24 172.73 2d90 s SER 6 N -3.47 1.74 0.00 7.02 1.04 -1.26 -5.05 113.70 113.72 2d90 s SER 6 Ca 0.32 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2d90 s SER 6 Cb 0.06 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2d90 s SER 6 CO 0.13 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2d90 n GLY 7 N -0.19 -2.65 3.90 7.32 0.00 -1.26 -4.98 105.19 107.33 2d90 n GLY 7 Ca -0.10 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.96 3.61 -0.18 1.61 1.70 -0.17 -4.89 118.95 118.66 2d90 s ARG 8 Ca 0.00 0.29 -0.08 0.00 -0.47 0.00 0.00 55.73 55.47 2d90 s ARG 8 Cb 0.00 -2.38 -0.04 0.00 -0.57 0.00 0.00 34.95 31.96 2d90 s ARG 8 CO 0.00 -0.15 0.08 0.08 -1.08 0.00 0.00 175.30 174.22 2d90 s VAL 9 N -2.63 4.93 0.10 4.99 1.01 -1.26 -2.56 120.40 124.98 2d90 s VAL 9 Ca 0.49 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.57 2d90 s VAL 9 Cb -0.10 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2d90 s VAL 9 CO 0.41 0.46 -0.19 -0.69 0.00 0.00 0.00 175.10 175.09 2d90 s VAL 10 N 0.34 2.76 -0.03 2.92 1.01 0.15 -4.97 120.40 122.58 2d90 s VAL 10 Ca 0.04 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.53 2d90 s VAL 10 Cb -0.12 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2d90 s VAL 10 CO -0.00 0.14 0.04 -0.69 0.00 0.00 0.00 175.10 174.59 2d90 s VAL 11 N -1.09 -0.06 0.04 2.92 1.01 -1.26 -0.57 120.40 121.38 2d90 s VAL 11 Ca 0.17 0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2d90 s VAL 11 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2d90 s VAL 11 CO 0.09 0.15 -0.05 -0.63 0.00 0.00 0.00 175.10 174.65 2d90 s ILE 12 N 1.73 0.34 -0.01 2.22 1.01 -1.04 -4.61 121.20 120.85 2d90 s ILE 12 Ca -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.53 2d90 s ILE 12 Cb -0.12 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2d90 s ILE 12 CO -0.03 -0.51 -0.03 -1.59 0.00 0.00 0.00 174.94 172.77 2d90 s LYS 13 N -1.87 0.36 0.08 2.79 0.00 -1.26 -1.39 119.74 118.45 2d90 s LYS 13 Ca -0.10 -0.10 -0.36 0.00 0.00 0.00 0.00 55.97 55.41 2d90 s LYS 13 Cb -0.08 -0.38 -0.18 0.00 0.00 0.00 0.00 37.83 37.19 2d90 s LYS 13 CO -0.01 0.04 0.99 1.17 0.00 0.00 0.00 175.35 177.53 2d90 n LYS 14 N 3.25 0.29 0.00 1.78 4.81 0.73 -4.77 118.16 124.25 2d90 n LYS 14 Ca -0.16 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2d90 n LYS 14 Cb 0.57 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.11 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 1.78 5.51 0.11 3.14 0.00 0.47 -5.01 105.19 111.20 2d90 n GLY 15 Ca 0.19 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 0.24 -3.34 1.61 0.87 -1.97 -3.33 113.55 107.62 2d90 h SER 16 Ca 0.00 -0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 2d90 h SER 16 Cb 0.00 -0.06 -0.41 0.00 -0.44 0.00 0.00 62.40 61.49 2d90 h SER 16 CO 0.00 0.17 -0.56 0.20 -0.53 0.00 0.00 176.83 176.11 2d90 s ASN 17 N -5.38 4.80 0.97 6.23 0.01 -1.26 -5.06 114.94 115.25 2d90 s ASN 17 Ca -0.13 -3.70 0.00 0.00 -0.71 0.00 0.00 52.86 48.32 2d90 s ASN 17 Cb 0.09 -1.65 0.00 0.00 0.41 0.00 0.00 41.25 40.09 2d90 s ASN 17 CO 0.69 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.78 2d90 n GLY 18 N 2.19 3.19 0.11 0.66 0.00 -1.25 -3.24 105.19 106.84 2d90 n GLY 18 Ca 0.17 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 14.00 0.00 0.00 1.61 4.02 -1.26 -0.39 117.16 135.14 2d90 n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2d90 n TYR 19 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.65 2d90 n TYR 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2d90 n GLY 20 N 2.61 2.09 3.46 2.72 0.00 -1.20 -0.14 105.19 114.74 2d90 n GLY 20 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.28 2.47 0.37 1.61 -0.71 -1.26 -0.77 117.98 117.41 2d90 s PHE 21 Ca 0.00 -0.30 0.08 0.00 -1.04 0.00 0.00 56.93 55.67 2d90 s PHE 21 Cb 0.00 -1.31 -0.07 0.00 -1.21 0.00 0.00 43.02 40.43 2d90 s PHE 21 CO 0.00 0.38 -0.03 0.71 -1.34 0.00 0.00 175.22 174.94 2d90 s TYR 22 N -1.16 2.42 -0.02 3.49 1.51 -1.10 -5.01 117.35 117.48 2d90 s TYR 22 Ca 0.17 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 2d90 s TYR 22 Cb -0.10 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 2d90 s TYR 22 CO 0.09 0.48 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.35 2d90 s LEU 23 N -3.64 2.01 0.00 -1.29 1.43 -1.26 -3.18 118.68 112.74 2d90 s LEU 23 Ca 0.34 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2d90 s LEU 23 Cb 0.07 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 2d90 s LEU 23 CO 0.17 0.18 -0.05 -0.60 0.23 0.00 0.00 176.35 176.27 2d90 s ARG 24 N -0.29 0.43 -0.53 1.70 3.52 -0.54 -4.96 118.95 118.27 2d90 s ARG 24 Ca 0.05 -0.25 -0.27 0.00 -0.13 0.00 0.00 55.73 55.13 2d90 s ARG 24 Cb -0.07 -0.40 -0.09 0.00 -1.56 0.00 0.00 34.95 32.84 2d90 s ARG 24 CO -0.00 0.11 2.44 0.00 -0.81 0.00 0.00 175.30 177.03 2d90 n ALA 25 N 2.80 0.79 -0.68 6.12 0.00 -1.26 -2.32 120.51 125.95 2d90 n ALA 25 Ca -0.14 -0.80 -0.19 0.00 0.00 0.00 0.00 53.44 52.31 2d90 n ALA 25 Cb 0.58 -3.07 0.27 0.00 0.00 0.00 0.00 19.45 17.23 2d90 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d90 n GLY 26 N 6.07 -3.33 0.00 0.00 0.00 -1.26 -4.95 105.19 101.72 2d90 n GLY 26 Ca 0.40 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -5.27 0.23 0.30 1.61 -0.04 -1.26 -4.75 135.00 125.82 2d90 n PRO 27 Ca 0.14 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.70 2d90 n PRO 27 Cb 0.59 0.00 0.45 0.00 -0.04 0.00 0.00 33.50 34.50 2d90 n PRO 27 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d90 h GLU 28 N 0.00 0.00 -7.12 0.54 4.11 -1.99 -3.41 114.58 106.70 2d90 h GLU 28 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.88 2d90 h GLU 28 Cb 0.00 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.42 2d90 h GLU 28 CO 0.00 0.00 0.40 1.04 0.07 0.00 0.00 179.01 180.52 2d90 n GLN 29 N -2.78 0.70 -3.15 1.06 6.02 -1.26 -4.96 117.38 113.02 2d90 n GLN 29 Ca 0.00 0.30 -0.41 0.00 -0.01 0.00 0.00 57.00 56.89 2d90 n GLN 29 Cb 0.71 -2.46 -0.07 0.00 1.02 0.00 0.00 30.24 29.44 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2d90 s LYS 30 N -3.64 3.88 0.00 -1.09 3.01 -1.26 -4.86 119.74 115.78 2d90 s LYS 30 Ca 0.78 0.24 0.00 0.00 -1.01 0.00 0.00 55.97 55.98 2d90 s LYS 30 Cb -0.34 -3.73 0.00 0.00 -1.01 0.00 0.00 37.83 32.75 2d90 s LYS 30 CO 0.45 -0.56 0.00 0.41 0.51 0.00 0.00 175.35 176.17 2d90 n GLY 31 N 4.48 2.43 3.70 -3.33 0.00 -1.25 -4.73 105.19 106.49 2d90 n GLY 31 Ca -0.02 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.74 2.94 0.02 1.61 -1.52 -0.96 -4.05 119.66 115.96 2d90 s GLN 32 Ca 0.00 -0.48 -0.09 0.00 -1.95 0.00 0.00 55.36 52.83 2d90 s GLN 32 Cb 0.00 -2.77 -0.05 0.00 -0.22 0.00 0.00 33.01 29.97 2d90 s GLN 32 CO 0.00 0.67 0.33 0.42 -0.25 0.00 0.00 175.29 176.46 2d90 s ILE 33 N -1.01 5.19 0.02 1.08 1.01 -0.98 -0.14 121.20 126.37 2d90 s ILE 33 Ca 0.17 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 2d90 s ILE 33 Cb -0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2d90 s ILE 33 CO 0.07 0.41 0.22 -0.63 0.00 0.00 0.00 174.94 175.02 2d90 s ILE 34 N -1.26 5.37 0.09 2.92 1.01 -0.03 -1.46 121.20 127.85 2d90 s ILE 34 Ca 0.27 -0.12 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 2d90 s ILE 34 Cb -0.14 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.84 2d90 s ILE 34 CO 0.15 0.27 1.09 -1.59 0.00 0.00 0.00 174.94 174.85 2d90 s LYS 35 N -2.08 0.91 -1.22 2.79 -2.85 -1.19 -0.38 119.74 115.72 2d90 s LYS 35 Ca 0.30 -0.52 -0.07 0.00 -1.00 0.00 0.00 55.97 54.68 2d90 s LYS 35 Cb -0.13 0.31 0.01 0.00 -2.06 0.00 0.00 37.83 35.96 2d90 s LYS 35 CO 0.21 -0.42 0.96 -0.25 0.10 0.00 0.00 175.35 175.94 2d90 n ASP 36 N -0.55 -5.82 -4.75 0.03 8.00 -1.26 -2.72 116.55 109.49 2d90 n ASP 36 Ca -0.06 -0.44 -0.41 0.00 0.71 0.00 0.00 54.79 54.59 2d90 n ASP 36 Cb 0.61 -4.47 -0.02 0.00 -0.02 0.00 0.00 41.12 37.22 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 -3.25 2.64 0.04 0.53 1.01 -1.26 -4.62 121.20 116.29 2d90 s ILE 37 Ca 0.47 0.54 -0.13 0.00 0.00 0.00 0.00 60.65 61.54 2d90 s ILE 37 Cb -0.21 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 2d90 s ILE 37 CO 0.59 0.09 0.41 -1.61 0.00 0.00 0.00 174.94 174.42 2d90 s GLU 38 N -0.46 3.85 0.46 2.79 0.41 0.05 -5.02 118.70 120.77 2d90 s GLU 38 Ca 0.59 0.32 -0.23 0.00 -0.41 0.00 0.00 54.97 55.24 2d90 s GLU 38 Cb -0.42 -3.11 -0.07 0.00 -1.78 0.00 0.00 34.13 28.74 2d90 s GLU 38 CO 0.44 0.63 1.16 -1.25 -0.49 0.00 0.00 175.26 175.75 2d90 s PRO 39 N -1.46 3.77 -0.61 0.39 0.04 -1.26 -2.89 135.00 132.98 2d90 s PRO 39 Ca 0.28 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2d90 s PRO 39 Cb -0.15 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2d90 s PRO 39 CO 0.15 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2d90 n GLY 40 N 0.45 0.55 3.89 0.56 0.00 -1.26 -4.92 105.19 104.46 2d90 n GLY 40 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.75 6.50 0.61 1.61 1.04 -1.14 -4.84 113.70 115.73 2d90 s SER 41 Ca 0.00 0.83 0.27 0.00 0.48 0.00 0.00 55.95 57.53 2d90 s SER 41 Cb 0.00 -2.19 1.25 0.00 0.10 0.00 0.00 66.02 65.17 2d90 s SER 41 CO 0.00 -0.20 1.67 -0.65 0.98 0.00 0.00 173.24 175.03 2d90 h PRO 42 N 1.80 0.00 0.03 4.02 0.11 -1.83 0.25 132.00 136.37 2d90 h PRO 42 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 2d90 h PRO 42 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.66 0.00 -0.45 0.00 -0.21 0.00 0.00 178.00 178.01 2d90 h ALA 43 N 1.08 0.01 -0.16 -0.75 0.00 -0.85 -2.60 119.26 115.99 2d90 h ALA 43 Ca 0.27 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 2d90 h ALA 43 Cb 1.72 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.56 2d90 h ALA 43 CO -0.00 0.21 -0.76 1.49 0.00 0.00 0.00 179.25 180.19 2d90 h GLU 44 N -0.42 0.79 0.00 0.00 4.57 -0.90 -2.87 114.58 115.76 2d90 h GLU 44 Ca -0.06 -0.63 -0.04 0.00 -1.18 0.00 0.00 59.36 57.45 2d90 h GLU 44 Cb 1.24 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.95 2d90 h GLU 44 CO 0.09 1.24 -0.17 0.00 -1.18 0.00 0.00 179.01 178.99 2d90 h ALA 45 N 0.58 1.18 0.00 2.92 0.00 -0.79 -2.45 119.26 120.71 2d90 h ALA 45 Ca -0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2d90 h ALA 45 Cb 1.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2d90 h ALA 45 CO 0.16 0.21 -0.49 0.00 0.00 0.00 0.00 179.25 179.13 2d90 h ALA 46 N 1.83 1.03 0.00 0.00 0.00 -1.37 -3.47 119.26 117.27 2d90 h ALA 46 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2d90 h ALA 46 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2d90 h ALA 46 CO 0.02 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.30 2d90 n GLY 47 N 0.16 1.28 2.18 0.00 0.00 -0.92 -4.69 105.19 103.20 2d90 n GLY 47 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.09 -5.06 117.00 112.98 2d90 n LEU 48 Ca 0.00 -0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 55.48 2d90 n LEU 48 Cb 0.00 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.43 2d90 n LEU 48 CO 0.00 -2.20 0.43 -0.54 -1.33 0.00 0.00 177.39 173.75 2d90 s LYS 49 N -3.36 0.73 0.64 3.23 1.02 -1.26 -4.96 119.74 115.78 2d90 s LYS 49 Ca 0.30 1.05 -0.17 0.00 0.02 0.00 0.00 55.97 57.17 2d90 s LYS 49 Cb -0.05 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 2d90 s LYS 49 CO 0.26 -0.12 0.87 0.09 -0.92 0.00 0.00 175.35 175.52 2d90 n ASN 50 N 3.45 0.27 -2.99 2.83 4.13 -1.26 -2.53 115.26 119.16 2d90 n ASN 50 Ca -0.17 0.74 -0.22 0.00 1.68 0.00 0.00 54.58 56.61 2d90 n ASN 50 Cb 0.57 -1.35 0.04 0.00 -1.54 0.00 0.00 39.78 37.50 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 -0.82 -6.03 -4.63 6.41 3.02 0.49 -4.95 115.26 108.76 2d90 n ASN 51 Ca 0.13 -0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 53.97 2d90 n ASN 51 Cb 0.48 -4.81 -0.08 0.00 -0.61 0.00 0.00 39.78 34.77 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 -2.82 6.43 -0.29 6.41 1.11 -1.05 -4.76 116.67 121.71 2d90 s ASP 52 Ca 0.34 0.52 -0.19 0.00 0.18 0.00 0.00 52.55 53.40 2d90 s ASP 52 Cb -0.15 -2.27 -0.02 0.00 1.07 0.00 0.00 42.92 41.55 2d90 s ASP 52 CO 0.42 -0.24 0.56 -0.22 1.18 0.00 0.00 175.17 176.87 2d90 s LEU 53 N 2.09 4.12 -0.16 1.23 1.98 -1.25 -0.85 118.68 125.84 2d90 s LEU 53 Ca 0.21 0.44 -0.17 0.00 -2.89 0.00 0.00 54.13 51.72 2d90 s LEU 53 Cb -0.16 -2.72 -0.04 0.00 0.66 0.00 0.00 46.19 43.94 2d90 s LEU 53 CO 0.09 -0.38 0.41 -0.69 -1.89 0.00 0.00 176.35 173.90 2d90 s VAL 54 N 2.43 5.21 -0.13 1.68 1.01 0.80 -1.60 120.40 129.81 2d90 s VAL 54 Ca 0.23 0.79 0.15 0.00 0.00 0.00 0.00 61.98 63.15 2d90 s VAL 54 Cb -0.15 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 2d90 s VAL 54 CO 0.10 0.31 0.14 1.33 0.00 0.00 0.00 175.10 176.98 2d90 n VAL 55 N 3.90 0.85 -3.86 2.92 0.24 -0.42 -2.27 118.33 119.69 2d90 n VAL 55 Ca -0.08 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.34 61.49 2d90 n VAL 55 Cb 0.51 -0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 32.39 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 -2.59 -0.33 -0.04 2.33 0.00 -1.23 -2.46 121.76 117.43 2d90 s ALA 56 Ca -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2d90 s ALA 56 Cb 0.06 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.44 2d90 s ALA 56 CO 0.68 -0.32 0.04 0.08 0.00 0.00 0.00 175.76 176.25 2d90 s VAL 57 N -2.25 0.03 -1.67 0.00 1.01 0.36 -1.15 120.40 116.73 2d90 s VAL 57 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2d90 s VAL 57 Cb -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2d90 s VAL 57 CO -0.02 0.18 0.00 0.59 0.00 0.00 0.00 175.10 175.85 2d90 n ASN 58 N 5.03 -5.29 0.00 3.32 3.02 0.13 -1.50 115.26 119.97 2d90 n ASN 58 Ca -0.09 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2d90 n ASN 58 Cb 0.50 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 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 -0.94 0.39 3.04 7.41 0.00 -1.26 -5.00 105.19 108.84 2d90 n GLY 59 Ca -0.21 -1.07 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 1.66 0.11 1.61 -0.14 -0.56 -5.10 119.74 115.31 2d90 s LYS 60 Ca 0.00 -0.44 -0.32 0.00 -1.36 0.00 0.00 55.97 53.85 2d90 s LYS 60 Cb 0.00 -1.39 -0.11 0.00 -1.68 0.00 0.00 37.83 34.65 2d90 s LYS 60 CO 0.00 0.07 1.80 0.45 -0.76 0.00 0.00 175.35 176.90 2d90 n SER 61 N 3.67 3.84 0.00 2.83 2.88 -1.26 -0.48 113.62 125.10 2d90 n SER 61 Ca -0.22 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2d90 n SER 61 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 2d90 n SER 61 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2d90 n VAL 62 N 4.51 0.00 0.13 2.46 0.24 -1.03 -4.62 118.33 120.02 2d90 n VAL 62 Ca 0.18 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.56 2d90 n VAL 62 Cb 0.35 0.06 0.40 0.00 -1.47 0.00 0.00 33.84 33.18 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 -1.63 0.10 0.05 7.34 0.00 -1.06 0.15 120.64 125.58 2d90 n GLU 63 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 57.16 57.80 2d90 n GLU 63 Cb 0.15 -1.92 -0.06 0.00 0.00 0.00 0.00 31.44 29.60 2d90 n GLU 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d90 n ALA 64 N -1.64 2.32 -1.93 -1.84 0.00 -1.26 -3.81 120.51 112.34 2d90 n ALA 64 Ca -0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.78 2d90 n ALA 64 Cb 0.12 -0.95 0.20 0.00 0.00 0.00 0.00 19.45 18.82 2d90 n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d90 n LEU 65 N -2.68 0.00 -4.86 0.00 4.77 0.12 -5.10 117.00 109.25 2d90 n LEU 65 Ca -0.06 -1.45 -0.21 0.00 -0.03 0.00 0.00 56.01 54.26 2d90 n LEU 65 Cb 0.68 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 2d90 n LEU 65 CO 0.42 -1.40 -0.02 1.51 -1.33 0.00 0.00 177.39 176.57 2d90 s ASP 66 N -5.69 4.98 0.20 -1.43 -4.77 -1.26 -4.77 116.67 103.94 2d90 s ASP 66 Ca 0.73 -0.78 -0.07 0.00 -3.30 0.00 0.00 52.55 49.13 2d90 s ASP 66 Cb -0.02 -0.57 0.32 0.00 -1.09 0.00 0.00 42.92 41.56 2d90 s ASP 66 CO 0.51 -0.63 1.14 1.57 0.70 0.00 0.00 175.17 178.46 2d90 n HIS 67 N -1.51 0.24 -0.02 2.11 -0.00 -1.26 0.62 115.22 115.39 2d90 n HIS 67 Ca 0.03 0.89 -0.13 0.00 -0.00 0.00 0.00 57.72 58.51 2d90 n HIS 67 Cb 0.62 -0.91 -0.10 0.00 -0.00 0.00 0.00 29.99 29.61 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 0.07 -0.22 0.26 5.19 -1.97 -2.21 116.42 117.54 2d90 h ASP 68 Ca 0.34 -0.52 0.05 0.00 -0.62 0.00 0.00 57.03 56.28 2d90 h ASP 68 Cb 0.52 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.94 2d90 h ASP 68 CO -0.75 0.58 -0.44 1.23 -3.12 0.00 0.00 179.24 176.74 2d90 h GLY 69 N -0.44 -0.70 0.87 2.75 0.00 -0.18 0.10 103.07 105.47 2d90 h GLY 69 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 2d90 h GLY 69 CO 0.01 -0.21 -0.42 -2.08 0.00 0.00 0.00 176.54 173.85 2d90 h VAL 70 N -0.45 0.00 -0.70 4.60 2.07 -0.89 -2.40 116.25 118.48 2d90 h VAL 70 Ca 0.09 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 67.77 2d90 h VAL 70 Cb 0.62 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2d90 h VAL 70 CO -0.46 0.00 0.83 0.58 0.02 0.00 0.00 177.57 178.54 2d90 h VAL 71 N -1.21 0.17 0.00 2.57 2.07 -1.25 0.24 116.25 118.84 2d90 h VAL 71 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2d90 h VAL 71 Cb 0.89 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2d90 h VAL 71 CO 0.20 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 177.70 2d90 h GLU 72 N 0.00 -0.00 -0.99 1.57 4.57 -0.29 -3.15 114.58 116.28 2d90 h GLU 72 Ca 0.33 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.81 2d90 h GLU 72 Cb 1.99 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 30.44 2d90 h GLU 72 CO -0.00 0.59 0.53 0.52 -1.18 0.00 0.00 179.01 179.47 2d90 h MET 73 N -0.60 0.35 -0.61 1.92 2.86 -0.25 0.49 114.93 119.09 2d90 h MET 73 Ca -0.00 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2d90 h MET 73 Cb 0.60 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2d90 h MET 73 CO 0.00 0.23 0.17 0.82 1.06 0.00 0.00 176.91 179.20 2d90 h ILE 74 N 0.36 1.25 -0.06 -1.22 2.04 -1.55 -2.15 117.51 116.18 2d90 h ILE 74 Ca 0.69 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2d90 h ILE 74 Cb 1.51 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2d90 h ILE 74 CO -0.58 0.33 -0.03 0.03 0.00 0.00 0.00 178.15 177.89 2d90 h ARG 75 N 0.87 0.12 -0.80 2.37 3.08 -0.12 -3.06 114.38 116.84 2d90 h ARG 75 Ca 0.19 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.33 2d90 h ARG 75 Cb 0.31 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2d90 h ARG 75 CO -0.00 0.50 0.53 0.87 -1.07 0.00 0.00 179.97 180.80 2d90 h LYS 76 N -0.27 0.51 -1.27 0.04 1.57 -0.76 -1.52 116.57 114.88 2d90 h LYS 76 Ca 0.01 -0.03 0.40 0.00 -1.87 0.00 0.00 60.65 59.16 2d90 h LYS 76 Cb 0.47 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.54 2d90 h LYS 76 CO 0.01 0.34 0.82 0.78 -0.57 0.00 0.00 179.45 180.82 2d90 h GLY 77 N 0.52 1.23 0.00 3.86 0.00 -1.28 -3.46 103.07 103.94 2d90 h GLY 77 Ca 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2d90 h GLY 77 CO -0.15 -0.32 0.00 0.61 0.00 0.00 0.00 176.54 176.68 2d90 n GLY 78 N -1.52 2.20 0.92 4.60 0.00 -0.57 -4.60 105.19 106.21 2d90 n GLY 78 Ca 0.34 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2d90 n GLY 78 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2d90 n ASP 79 N 1.43 0.81 -4.35 1.61 5.68 -1.26 -4.95 116.55 115.51 2d90 n ASP 79 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 2d90 n ASP 79 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2d90 s GLN 80 N -1.93 1.45 0.06 0.11 -2.07 -1.26 -0.19 119.66 115.82 2d90 s GLN 80 Ca 0.00 -1.23 -0.09 0.00 -1.82 0.00 0.00 55.36 52.22 2d90 s GLN 80 Cb 0.00 -1.80 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 2d90 s GLN 80 CO 0.00 0.44 0.19 -0.08 -1.32 0.00 0.00 175.29 174.52 2d90 s THR 81 N -1.00 0.12 -0.18 3.63 -1.32 -0.49 -4.82 115.64 111.59 2d90 s THR 81 Ca 0.12 -1.02 -0.07 0.00 -1.21 0.00 0.00 61.69 59.51 2d90 s THR 81 Cb -0.10 -1.10 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 2d90 s THR 81 CO 0.04 -0.56 0.05 -0.89 -2.21 0.00 0.00 174.62 171.05 2d90 s THR 82 N -3.14 4.62 -0.10 5.08 2.01 -1.26 -2.49 115.64 120.37 2d90 s THR 82 Ca -0.01 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.91 2d90 s THR 82 Cb 0.02 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2d90 s THR 82 CO -0.07 0.46 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.44 2d90 s LEU 83 N 0.41 2.80 -0.41 4.42 1.43 0.26 0.18 118.68 127.78 2d90 s LEU 83 Ca 0.02 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2d90 s LEU 83 Cb -0.13 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.58 2d90 s LEU 83 CO 0.01 0.25 0.22 -0.22 0.23 0.00 0.00 176.35 176.84 2d90 s LEU 84 N -0.16 5.18 0.11 1.79 2.96 -0.30 0.32 118.68 128.58 2d90 s LEU 84 Ca 0.00 -1.84 0.02 0.00 -0.22 0.00 0.00 54.13 52.09 2d90 s LEU 84 Cb -0.13 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2d90 s LEU 84 CO 0.03 -0.54 0.19 0.68 -1.32 0.00 0.00 176.35 175.39 2d90 s VAL 85 N 1.24 5.02 0.01 1.68 -7.23 -1.06 -1.30 120.40 118.76 2d90 s VAL 85 Ca 0.06 -0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 59.35 2d90 s VAL 85 Cb -0.23 -3.50 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 2d90 s VAL 85 CO -0.02 0.03 0.55 -0.22 -0.31 0.00 0.00 175.10 175.12 2d90 s LEU 86 N -2.79 4.45 -0.25 1.32 1.98 -0.63 -1.00 118.68 121.75 2d90 s LEU 86 Ca 0.33 1.13 -0.03 0.00 -2.89 0.00 0.00 54.13 52.67 2d90 s LEU 86 Cb -0.12 -2.84 -0.15 0.00 0.66 0.00 0.00 46.19 43.75 2d90 s LEU 86 CO 0.26 0.18 -0.26 -0.67 -1.89 0.00 0.00 176.35 173.98 2d90 n ASP 87 N 2.34 2.02 -4.77 3.68 2.03 -1.26 -4.62 116.55 115.97 2d90 n ASP 87 Ca -0.09 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.88 2d90 n ASP 87 Cb 0.51 -0.51 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2d90 n ASP 87 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2d90 s LYS 88 N -2.49 3.07 -0.13 -0.67 -0.14 -1.26 -3.02 119.74 115.09 2d90 s LYS 88 Ca -0.34 1.56 -0.02 0.00 -1.36 0.00 0.00 55.97 55.81 2d90 s LYS 88 Cb 0.10 -1.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.30 2d90 s LYS 88 CO 0.54 -1.07 0.04 -0.85 -0.76 0.00 0.00 175.35 173.25 2d90 n GLU 89 N -1.79 -2.42 -0.08 1.68 0.28 -1.26 -4.72 120.64 112.34 2d90 n GLU 89 Ca 0.11 0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.99 2d90 n GLU 89 Cb 0.51 -3.57 -0.10 0.00 1.43 0.00 0.00 31.44 29.72 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2d90 h ALA 90 N 1.20 0.08 -0.26 -1.84 0.00 -1.81 -3.45 119.26 113.18 2d90 h ALA 90 Ca -0.04 -0.64 -0.67 0.00 0.00 0.00 0.00 54.91 53.56 2d90 h ALA 90 Cb 0.82 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2d90 h ALA 90 CO 0.06 0.25 1.46 0.39 0.00 0.00 0.00 179.25 181.42 2d90 n GLU 91 N -4.58 0.24 -3.33 0.00 4.71 -1.26 -4.85 120.64 111.56 2d90 n GLU 91 Ca -0.15 0.05 -0.47 0.00 -0.01 0.00 0.00 57.16 56.59 2d90 n GLU 91 Cb 0.45 -1.76 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 2d90 n GLU 91 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2d90 s SER 92 N 7.28 6.60 0.60 1.62 0.15 -1.26 -5.05 113.70 123.63 2d90 s SER 92 Ca 1.21 -2.46 -0.14 0.00 0.70 0.00 0.00 55.95 55.26 2d90 s SER 92 Cb -1.27 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 60.80 2d90 s SER 92 CO 0.57 -0.65 1.04 0.27 1.20 0.00 0.00 173.24 175.67 2d90 s ILE 93 N 0.54 4.12 -0.27 6.45 -5.25 -1.26 -5.07 121.20 120.45 2d90 s ILE 93 Ca 0.14 0.91 -0.14 0.00 -0.99 0.00 0.00 60.65 60.57 2d90 s ILE 93 Cb -0.15 -3.52 0.09 0.00 2.95 0.00 0.00 42.46 41.83 2d90 s ILE 93 CO -0.06 -0.69 0.66 -0.31 -1.79 0.00 0.00 174.94 172.75 2d90 s TYR 94 N -2.69 -1.08 -0.24 1.37 2.02 -1.26 -5.14 117.35 110.33 2d90 s TYR 94 Ca 0.60 2.10 -0.24 0.00 -0.37 0.00 0.00 57.07 59.17 2d90 s TYR 94 Cb -0.14 0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 42.05 2d90 s TYR 94 CO 0.41 -0.54 0.80 -1.54 -1.57 0.00 0.00 175.55 173.11 2d90 s SER 95 N 1.88 6.81 -0.42 2.29 1.04 -1.26 -5.02 113.70 119.02 2d90 s SER 95 Ca -0.09 1.01 -0.20 0.00 0.48 0.00 0.00 55.95 57.15 2d90 s SER 95 Cb -0.07 -2.43 0.02 0.00 0.10 0.00 0.00 66.02 63.65 2d90 s SER 95 CO -0.19 -0.49 0.61 -0.76 0.98 0.00 0.00 173.24 173.39 2d90 s LEU 96 N 2.73 4.50 0.03 2.42 1.02 -1.26 -5.04 118.68 123.08 2d90 s LEU 96 Ca 0.34 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 54.23 2d90 s LEU 96 Cb -0.15 -2.69 -0.02 0.00 0.02 0.00 0.00 46.19 43.35 2d90 s LEU 96 CO 0.08 -0.72 -0.14 -0.44 0.02 0.00 0.00 176.35 175.15 2d90 s SER 97 N 1.95 1.62 0.00 2.29 0.01 -1.26 -5.14 113.70 113.16 2d90 s SER 97 Ca 0.21 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2d90 s SER 97 Cb -0.15 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2d90 s SER 97 CO 0.18 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2d90 n GLY 98 N 2.11 1.83 3.75 3.44 0.00 -1.26 -5.15 105.19 109.91 2d90 n GLY 98 Ca -0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.60 4.43 0.04 1.61 0.04 -1.26 -4.96 135.00 133.30 2d90 s PRO 99 Ca 0.00 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 2d90 s PRO 99 Cb 0.00 -3.15 -0.22 0.00 0.04 0.00 0.00 34.50 31.17 2d90 s PRO 99 CO 0.00 -0.14 1.16 0.77 0.04 0.00 0.00 177.00 178.84 2d90 h SER 100 N 4.41 0.67 -3.16 6.66 0.02 -2.06 -3.46 113.55 116.63 2d90 h SER 100 Ca -0.46 -0.72 -0.46 0.00 -0.84 0.00 0.00 61.79 59.31 2d90 h SER 100 Cb 1.22 -0.20 -0.14 0.00 0.14 0.00 0.00 62.40 63.41 2d90 h SER 100 CO 0.71 1.30 -0.73 -0.44 -1.14 0.00 0.00 176.83 176.53 2d90 s SER 101 N -6.89 2.62 0.00 3.07 0.01 -1.26 -5.36 113.70 105.88 2d90 s SER 101 Ca -0.12 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.12 2d90 s SER 101 Cb 0.05 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2d90 s SER 101 CO 0.85 -0.16 0.33 0.61 0.41 0.00 0.00 173.24 175.28