#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 6.03 -0.26 1.61 0.01 -1.26 -4.86 113.70 114.97 2d90 s SER 2 Ca 0.00 1.62 -0.01 0.00 1.31 0.00 0.00 55.95 58.87 2d90 s SER 2 Cb 0.00 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.86 2d90 s SER 2 CO 0.00 -1.54 2.09 -1.20 0.41 0.00 0.00 173.24 173.00 2d90 n SER 3 N 9.66 6.25 -1.33 2.44 7.64 -1.26 -4.72 113.62 132.30 2d90 n SER 3 Ca 0.22 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 57.16 2d90 n SER 3 Cb 0.45 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2d90 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d90 n GLY 4 N 0.63 0.23 3.03 0.23 0.00 -1.26 -5.04 105.19 103.01 2d90 n GLY 4 Ca 0.26 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2d90 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d90 s SER 5 N -2.32 4.99 -1.11 1.61 0.01 -1.26 -4.72 113.70 110.89 2d90 s SER 5 Ca 0.00 -3.10 -0.07 0.00 1.31 0.00 0.00 55.95 54.09 2d90 s SER 5 Cb 0.00 -1.77 0.01 0.00 0.21 0.00 0.00 66.02 64.46 2d90 s SER 5 CO 0.00 -0.28 0.97 -1.20 0.41 0.00 0.00 173.24 173.14 2d90 n SER 6 N 3.09 -5.24 0.00 2.44 7.64 -1.26 -4.80 113.62 115.48 2d90 n SER 6 Ca 0.10 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2d90 n SER 6 Cb 0.36 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.29 2d90 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d90 n GLY 7 N -1.68 2.81 3.89 0.23 0.00 -1.26 -4.97 105.19 104.20 2d90 n GLY 7 Ca -0.02 -1.17 -0.29 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 -4.61 3.69 -0.22 1.61 1.70 -0.61 -4.83 118.95 115.69 2d90 s ARG 8 Ca 0.00 0.25 -0.09 0.00 -0.47 0.00 0.00 55.73 55.42 2d90 s ARG 8 Cb 0.00 -2.49 -0.04 0.00 -0.57 0.00 0.00 34.95 31.84 2d90 s ARG 8 CO 0.00 0.05 0.10 0.08 -1.08 0.00 0.00 175.30 174.45 2d90 s VAL 9 N -2.29 4.95 0.16 4.99 1.01 -1.26 -2.90 120.40 125.06 2d90 s VAL 9 Ca 0.48 0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.58 2d90 s VAL 9 Cb -0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2d90 s VAL 9 CO 0.32 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 175.03 2d90 s VAL 10 N 0.83 3.22 -0.05 2.92 1.01 0.57 -4.96 120.40 123.94 2d90 s VAL 10 Ca 0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.43 2d90 s VAL 10 Cb -0.13 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.71 2d90 s VAL 10 CO 0.02 -0.06 0.10 -0.69 0.00 0.00 0.00 175.10 174.47 2d90 s VAL 11 N -1.60 -0.07 0.05 2.92 1.01 -1.26 -0.32 120.40 121.13 2d90 s VAL 11 Ca 0.24 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2d90 s VAL 11 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 2d90 s VAL 11 CO 0.15 0.09 -0.09 -0.63 0.00 0.00 0.00 175.10 174.62 2d90 s ILE 12 N 1.27 0.67 -0.12 2.22 1.01 -1.09 -4.62 121.20 120.53 2d90 s ILE 12 Ca -0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 2d90 s ILE 12 Cb -0.12 -0.75 0.04 0.00 0.01 0.00 0.00 42.46 41.63 2d90 s ILE 12 CO -0.05 -0.37 -0.02 -0.54 0.00 0.00 0.00 174.94 173.96 2d90 s LYS 13 N -1.70 1.02 0.18 2.79 1.02 -1.26 -1.57 119.74 120.23 2d90 s LYS 13 Ca -0.07 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.42 2d90 s LYS 13 Cb -0.09 -1.53 -0.17 0.00 -0.52 0.00 0.00 37.83 35.52 2d90 s LYS 13 CO 0.01 -0.38 0.65 1.17 -0.92 0.00 0.00 175.35 175.88 2d90 n LYS 14 N 5.02 0.15 0.00 1.68 4.81 0.66 -4.88 118.16 125.60 2d90 n LYS 14 Ca -0.10 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2d90 n LYS 14 Cb 0.49 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.38 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 1.87 0.41 0.68 3.14 0.00 -1.02 -4.98 105.19 105.30 2d90 n GLY 15 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.05 0.93 -0.06 1.61 3.41 -1.26 -4.87 113.62 113.33 2d90 n SER 16 Ca 0.00 0.14 -0.13 0.00 -0.26 0.00 0.00 58.87 58.62 2d90 n SER 16 Cb 0.00 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.46 2d90 n SER 16 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d90 h ASN 17 N -0.24 -0.01 0.00 4.04 -1.07 -2.01 -3.50 115.58 112.79 2d90 h ASN 17 Ca 0.00 -0.83 0.00 0.00 0.07 0.00 0.00 56.30 55.54 2d90 h ASN 17 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 2d90 h ASN 17 CO 0.00 0.87 0.00 0.61 0.07 0.00 0.00 177.43 178.98 2d90 n GLY 18 N 1.39 0.45 0.13 9.14 0.00 -1.26 -5.06 105.19 109.98 2d90 n GLY 18 Ca -0.09 0.35 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 2d90 n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d90 n TYR 19 N 0.00 0.00 0.00 1.61 4.01 -1.26 -2.43 117.16 119.09 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 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 1.54 1.80 3.49 2.72 0.00 -1.26 -1.45 105.19 112.02 2d90 n GLY 20 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.92 -0.68 0.35 1.61 -0.71 -1.26 -3.01 117.98 112.36 2d90 s PHE 21 Ca 0.00 1.61 0.07 0.00 -1.04 0.00 0.00 56.93 57.57 2d90 s PHE 21 Cb 0.00 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2d90 s PHE 21 CO 0.00 -0.33 0.35 0.71 -1.34 0.00 0.00 175.22 174.61 2d90 s TYR 22 N 0.48 2.90 -0.02 3.49 1.51 -1.10 -4.99 117.35 119.63 2d90 s TYR 22 Ca -0.01 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 2d90 s TYR 22 Cb -0.04 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 2d90 s TYR 22 CO -0.02 0.08 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.96 2d90 s LEU 23 N -4.06 1.70 0.06 -1.29 1.43 -1.26 -3.41 118.68 111.84 2d90 s LEU 23 Ca 0.43 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2d90 s LEU 23 Cb -0.06 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 2d90 s LEU 23 CO 0.28 -0.00 -0.06 -0.60 0.23 0.00 0.00 176.35 176.19 2d90 s ARG 24 N 0.32 0.63 -0.68 1.70 3.52 -1.02 -4.97 118.95 118.45 2d90 s ARG 24 Ca -0.03 -1.01 -0.27 0.00 -0.13 0.00 0.00 55.73 54.29 2d90 s ARG 24 Cb -0.07 -0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.18 2d90 s ARG 24 CO -0.01 -0.01 1.50 0.00 -0.81 0.00 0.00 175.30 175.98 2d90 s ALA 25 N -2.52 2.54 1.05 6.12 0.00 -1.26 -2.49 121.76 125.21 2d90 s ALA 25 Ca -0.01 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 2d90 s ALA 25 Cb -0.02 -4.27 0.09 0.00 0.00 0.00 0.00 23.12 18.92 2d90 s ALA 25 CO -0.03 -3.49 0.36 0.41 0.00 0.00 0.00 175.76 173.02 2d90 n GLY 26 N 5.49 -2.11 0.00 0.00 0.00 -1.26 -5.00 105.19 102.31 2d90 n GLY 26 Ca 0.10 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.31 -0.12 0.09 1.61 -0.04 -1.26 -4.75 135.00 128.22 2d90 n PRO 27 Ca 0.05 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.67 2d90 n PRO 27 Cb 0.18 0.00 0.41 0.00 -0.04 0.00 0.00 33.50 34.05 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 -6.25 0.54 5.08 -1.99 -3.40 114.58 108.57 2d90 h GLU 28 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 2d90 h GLU 28 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2d90 h GLU 28 CO 0.00 0.00 1.19 1.04 -1.00 0.00 0.00 179.01 180.24 2d90 n GLN 29 N -3.04 2.25 -1.88 2.33 1.13 -1.26 -4.88 117.38 112.03 2d90 n GLN 29 Ca 0.10 0.80 -0.42 0.00 -1.94 0.00 0.00 57.00 55.54 2d90 n GLN 29 Cb 1.05 -2.78 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 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 4.55 4.18 0.00 -1.09 -0.14 -1.26 -4.79 119.74 121.19 2d90 s LYS 30 Ca 0.94 2.39 0.00 0.00 -1.36 0.00 0.00 55.97 57.94 2d90 s LYS 30 Cb -0.61 -3.63 0.00 0.00 -1.68 0.00 0.00 37.83 31.91 2d90 s LYS 30 CO 0.48 -0.77 0.00 0.41 -0.76 0.00 0.00 175.35 174.71 2d90 n GLY 31 N 4.07 3.16 3.88 -3.33 0.00 -1.25 -4.66 105.19 107.06 2d90 n GLY 31 Ca 0.16 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.03 3.68 -0.19 1.61 -1.52 -0.65 -4.29 119.66 115.28 2d90 s GLN 32 Ca 0.00 0.04 -0.09 0.00 -1.95 0.00 0.00 55.36 53.35 2d90 s GLN 32 Cb 0.00 -2.87 -0.05 0.00 -0.22 0.00 0.00 33.01 29.87 2d90 s GLN 32 CO 0.00 0.48 0.13 0.42 -0.25 0.00 0.00 175.29 176.07 2d90 s ILE 33 N -1.59 5.40 0.29 1.08 1.01 -1.04 -0.60 121.20 125.76 2d90 s ILE 33 Ca 0.39 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.08 2d90 s ILE 33 Cb -0.13 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 2d90 s ILE 33 CO 0.22 0.47 0.70 -0.63 0.00 0.00 0.00 174.94 175.70 2d90 s ILE 34 N 0.13 4.71 0.09 2.92 1.01 -0.07 -2.44 121.20 127.55 2d90 s ILE 34 Ca 0.09 0.92 -0.27 0.00 0.00 0.00 0.00 60.65 61.39 2d90 s ILE 34 Cb -0.11 -3.65 0.08 0.00 0.01 0.00 0.00 42.46 38.79 2d90 s ILE 34 CO -0.01 -0.10 0.99 -1.59 0.00 0.00 0.00 174.94 174.24 2d90 s LYS 35 N -2.77 0.99 -1.30 2.79 0.00 -1.22 0.40 119.74 118.62 2d90 s LYS 35 Ca 0.51 -0.51 -0.05 0.00 0.00 0.00 0.00 55.97 55.92 2d90 s LYS 35 Cb -0.11 0.36 0.01 0.00 0.00 0.00 0.00 37.83 38.09 2d90 s LYS 35 CO 0.18 -0.45 1.08 -3.47 0.00 0.00 0.00 175.35 172.69 2d90 n ASP 36 N -0.41 -4.21 -4.74 0.03 -0.08 -1.26 -2.73 116.55 103.15 2d90 n ASP 36 Ca -0.07 -0.60 -0.41 0.00 -1.51 0.00 0.00 54.79 52.20 2d90 n ASP 36 Cb 0.61 -4.97 -0.03 0.00 2.34 0.00 0.00 41.12 39.07 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2d90 s ILE 37 N -3.35 3.14 0.15 5.18 1.01 -1.26 -4.60 121.20 121.47 2d90 s ILE 37 Ca 0.31 0.92 -0.20 0.00 0.00 0.00 0.00 60.65 61.69 2d90 s ILE 37 Cb -0.14 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 2d90 s ILE 37 CO 0.74 0.13 0.65 -1.61 0.00 0.00 0.00 174.94 174.85 2d90 s GLU 38 N 0.03 4.25 0.71 2.79 0.41 -1.16 -5.03 118.70 120.70 2d90 s GLU 38 Ca 0.58 0.82 -0.13 0.00 -0.41 0.00 0.00 54.97 55.83 2d90 s GLU 38 Cb -0.37 -3.09 0.03 0.00 -1.78 0.00 0.00 34.13 28.91 2d90 s GLU 38 CO 0.38 0.53 1.10 -1.25 -0.49 0.00 0.00 175.26 175.53 2d90 s PRO 39 N -1.50 2.55 -0.34 0.39 0.04 -1.26 -3.21 135.00 131.67 2d90 s PRO 39 Ca 0.36 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2d90 s PRO 39 Cb -0.19 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2d90 s PRO 39 CO 0.21 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.23 2d90 n GLY 40 N -0.82 -0.04 3.94 0.56 0.00 -1.26 -4.88 105.19 102.69 2d90 n GLY 40 Ca 0.10 0.00 -0.26 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 -1.62 6.35 0.57 1.61 1.04 -1.20 -4.92 113.70 115.53 2d90 s SER 41 Ca 0.00 0.22 0.33 0.00 0.48 0.00 0.00 55.95 56.98 2d90 s SER 41 Cb 0.00 -1.93 1.45 0.00 0.10 0.00 0.00 66.02 65.63 2d90 s SER 41 CO 0.00 0.02 1.76 -0.65 0.98 0.00 0.00 173.24 175.35 2d90 h PRO 42 N 2.07 0.00 0.06 4.02 0.11 -1.78 0.12 132.00 136.60 2d90 h PRO 42 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2d90 h PRO 42 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.68 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.45 2d90 h ALA 43 N 1.29 -0.07 -0.23 -0.75 0.00 -1.47 0.11 119.26 118.12 2d90 h ALA 43 Ca 0.46 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2d90 h ALA 43 Cb 2.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 2d90 h ALA 43 CO -0.00 -0.19 -0.16 1.49 0.00 0.00 0.00 179.25 180.39 2d90 h GLU 44 N -0.78 0.40 0.00 0.00 4.81 -1.25 -2.20 114.58 115.55 2d90 h GLU 44 Ca -0.01 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2d90 h GLU 44 Cb 0.63 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2d90 h GLU 44 CO 0.01 0.55 -0.93 0.00 -0.73 0.00 0.00 179.01 177.92 2d90 h ALA 45 N 1.47 0.45 0.00 2.92 0.00 -0.91 -3.25 119.26 119.94 2d90 h ALA 45 Ca 0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2d90 h ALA 45 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2d90 h ALA 45 CO 0.03 1.12 -0.25 0.00 0.00 0.00 0.00 179.25 180.15 2d90 h ALA 46 N 1.12 1.39 0.00 0.00 0.00 -0.42 -3.46 119.26 117.89 2d90 h ALA 46 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2d90 h ALA 46 Cb 1.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2d90 h ALA 46 CO 0.11 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2d90 n GLY 47 N -0.60 1.09 2.44 0.00 0.00 -1.09 -4.54 105.19 102.49 2d90 n GLY 47 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.55 0.99 4.77 -0.86 -5.04 117.00 113.31 2d90 n LEU 48 Ca 0.00 -0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 55.27 2d90 n LEU 48 Cb 0.00 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 2d90 n LEU 48 CO 0.00 -2.40 0.48 -0.54 -1.33 0.00 0.00 177.39 173.60 2d90 s LYS 49 N -3.98 0.96 0.87 3.23 1.02 -1.26 -4.89 119.74 115.69 2d90 s LYS 49 Ca 0.42 0.37 -0.10 0.00 0.02 0.00 0.00 55.97 56.67 2d90 s LYS 49 Cb -0.07 0.46 0.12 0.00 -0.52 0.00 0.00 37.83 37.81 2d90 s LYS 49 CO 0.35 -0.27 1.13 -0.80 -0.92 0.00 0.00 175.35 174.84 2d90 s ASN 50 N -0.91 3.44 -1.03 2.83 -0.87 -1.26 -2.77 114.94 114.37 2d90 s ASN 50 Ca -0.08 2.08 0.00 0.00 -1.57 0.00 0.00 52.86 53.29 2d90 s ASN 50 Cb -0.01 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2d90 s ASN 50 CO 0.07 -2.75 0.00 -0.46 -2.57 0.00 0.00 177.10 171.39 2d90 n ASN 51 N -3.98 -3.51 -4.70 -1.22 0.23 0.16 -4.89 115.26 97.36 2d90 n ASN 51 Ca 0.11 0.23 -0.42 0.00 -0.53 0.00 0.00 54.58 53.97 2d90 n ASN 51 Cb 0.52 -3.07 -0.03 0.00 -2.08 0.00 0.00 39.78 35.12 2d90 n ASN 51 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2d90 s ASP 52 N -2.01 7.21 -0.41 0.53 1.11 -1.12 -3.93 116.67 118.06 2d90 s ASP 52 Ca 0.00 1.73 -0.18 0.00 0.18 0.00 0.00 52.55 54.28 2d90 s ASP 52 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.44 2d90 s ASP 52 CO 0.00 -0.42 0.50 -0.22 1.18 0.00 0.00 175.17 176.21 2d90 s LEU 53 N 1.55 4.64 -0.22 1.23 2.96 -1.25 -0.89 118.68 126.70 2d90 s LEU 53 Ca 0.53 -0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 53.85 2d90 s LEU 53 Cb -0.23 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2d90 s LEU 53 CO 0.24 -0.60 0.41 -0.69 -1.32 0.00 0.00 176.35 174.40 2d90 s VAL 54 N 2.36 5.18 -0.17 1.68 1.01 0.24 -2.20 120.40 128.49 2d90 s VAL 54 Ca 0.16 0.72 0.13 0.00 0.00 0.00 0.00 61.98 62.99 2d90 s VAL 54 Cb -0.16 -3.74 -0.20 0.00 0.00 0.00 0.00 36.38 32.28 2d90 s VAL 54 CO 0.15 0.22 0.02 1.33 0.00 0.00 0.00 175.10 176.82 2d90 n VAL 55 N 4.53 1.15 -4.03 2.92 0.24 -0.98 -1.64 118.33 120.53 2d90 n VAL 55 Ca -0.08 -0.67 -0.12 0.00 -2.04 0.00 0.00 64.34 61.43 2d90 n VAL 55 Cb 0.51 -0.66 -0.12 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.41 0.35 -0.05 2.33 0.00 -1.24 -0.99 121.76 119.75 2d90 s ALA 56 Ca -0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 2d90 s ALA 56 Cb 0.05 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.24 2d90 s ALA 56 CO 0.65 -0.03 -0.02 0.08 0.00 0.00 0.00 175.76 176.44 2d90 s VAL 57 N -1.00 0.40 -1.50 0.00 1.01 -0.41 -1.82 120.40 117.07 2d90 s VAL 57 Ca -0.08 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 2d90 s VAL 57 Cb -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.83 2d90 s VAL 57 CO -0.00 0.23 0.60 0.59 0.00 0.00 0.00 175.10 176.51 2d90 n ASN 58 N 4.57 -5.67 -1.54 3.32 3.02 0.87 -1.61 115.26 118.22 2d90 n ASN 58 Ca -0.17 -0.31 -0.10 0.00 -0.03 0.00 0.00 54.58 53.97 2d90 n ASN 58 Cb 0.50 -4.60 0.02 0.00 -0.61 0.00 0.00 39.78 35.09 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 -1.47 0.12 2.81 7.41 0.00 -1.26 -5.01 105.19 107.79 2d90 n GLY 59 Ca -0.09 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.07 0.10 -0.32 1.61 1.02 -0.63 -5.10 119.74 111.34 2d90 s LYS 60 Ca 0.14 0.42 -0.35 0.00 0.02 0.00 0.00 55.97 56.19 2d90 s LYS 60 Cb -0.06 -0.67 -0.12 0.00 -0.52 0.00 0.00 37.83 36.46 2d90 s LYS 60 CO 0.18 -0.45 2.13 -1.13 -0.92 0.00 0.00 175.35 175.16 2d90 n SER 61 N 5.32 2.28 -0.02 2.83 3.41 -1.26 -1.29 113.62 124.89 2d90 n SER 61 Ca -0.05 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.13 2d90 n SER 61 Cb 0.50 -1.27 -0.13 0.00 -0.26 0.00 0.00 64.21 63.05 2d90 n SER 61 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2d90 n VAL 62 N 6.82 0.16 0.15 -3.33 0.24 -0.39 -4.41 118.33 117.57 2d90 n VAL 62 Ca 0.38 -0.41 0.18 0.00 -2.04 0.00 0.00 64.34 62.45 2d90 n VAL 62 Cb 0.23 0.02 0.67 0.00 -1.47 0.00 0.00 33.84 33.29 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 0.01 7.34 4.11 -1.27 0.74 114.58 125.51 2d90 h GLU 63 Ca -0.06 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.15 2d90 h GLU 63 Cb 0.92 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2d90 h GLU 63 CO 0.00 0.00 -1.07 0.00 0.07 0.00 0.00 179.01 178.01 2d90 h ALA 64 N 1.20 0.37 -1.96 1.06 0.00 -1.84 -3.31 119.26 114.77 2d90 h ALA 64 Ca 0.16 -0.96 -0.42 0.00 0.00 0.00 0.00 54.91 53.69 2d90 h ALA 64 Cb 1.26 -0.09 0.19 0.00 0.00 0.00 0.00 17.79 19.14 2d90 h ALA 64 CO -0.00 1.26 0.25 -0.51 0.00 0.00 0.00 179.25 180.25 2d90 s LEU 65 N -6.69 1.50 0.56 0.00 1.43 0.26 -5.09 118.68 110.65 2d90 s LEU 65 Ca 0.00 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2d90 s LEU 65 Cb 0.10 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 44.15 2d90 s LEU 65 CO 0.82 -3.65 0.46 1.51 0.23 0.00 0.00 176.35 175.72 2d90 s ASP 66 N -4.37 4.67 0.07 2.29 -4.77 -1.26 -4.79 116.67 108.51 2d90 s ASP 66 Ca 0.73 -1.22 -0.13 0.00 -3.30 0.00 0.00 52.55 48.63 2d90 s ASP 66 Cb -0.06 0.46 -0.03 0.00 -1.09 0.00 0.00 42.92 42.20 2d90 s ASP 66 CO 0.55 -1.16 1.08 1.57 0.70 0.00 0.00 175.17 177.90 2d90 n HIS 67 N -1.84 -0.18 0.14 2.11 -0.00 -1.26 -0.31 115.22 113.87 2d90 n HIS 67 Ca 0.00 0.52 -0.13 0.00 -0.00 0.00 0.00 57.72 58.11 2d90 n HIS 67 Cb 0.64 -0.50 -0.07 0.00 -0.00 0.00 0.00 29.99 30.07 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 -0.45 -0.69 0.26 5.19 -1.96 -2.15 116.42 116.62 2d90 h ASP 68 Ca 0.07 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.59 2d90 h ASP 68 Cb 0.17 0.15 -0.10 0.00 0.18 0.00 0.00 39.33 39.73 2d90 h ASP 68 CO -0.39 -0.26 -0.56 1.23 -3.12 0.00 0.00 179.24 176.14 2d90 h GLY 69 N -0.38 -0.86 0.06 2.75 0.00 -1.41 0.19 103.07 103.41 2d90 h GLY 69 Ca -0.00 0.74 -0.00 0.00 0.00 0.00 0.00 47.33 48.06 2d90 h GLY 69 CO -0.03 -0.05 -0.04 -2.08 0.00 0.00 0.00 176.54 174.34 2d90 h VAL 70 N -0.20 0.00 -0.58 4.60 2.07 -0.58 -1.94 116.25 119.61 2d90 h VAL 70 Ca 0.13 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.82 2d90 h VAL 70 Cb 0.52 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2d90 h VAL 70 CO -0.76 0.00 1.00 0.58 0.02 0.00 0.00 177.57 178.41 2d90 h VAL 71 N -0.10 0.04 0.37 2.57 2.07 -1.18 0.26 116.25 120.28 2d90 h VAL 71 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2d90 h VAL 71 Cb 0.08 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2d90 h VAL 71 CO 0.00 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.33 2d90 h GLU 72 N 0.00 -0.48 -0.89 1.57 4.81 0.17 -3.14 114.58 116.63 2d90 h GLU 72 Ca 0.28 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.72 2d90 h GLU 72 Cb 2.27 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 31.59 2d90 h GLU 72 CO -0.00 -0.17 -0.23 0.52 -0.73 0.00 0.00 179.01 178.40 2d90 h MET 73 N -0.94 -0.00 -0.93 1.92 2.86 -0.24 0.68 114.93 118.28 2d90 h MET 73 Ca -0.05 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.73 2d90 h MET 73 Cb 0.54 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.11 2d90 h MET 73 CO 0.08 -0.00 0.55 0.82 1.06 0.00 0.00 176.91 179.42 2d90 h ILE 74 N -0.00 0.81 0.00 -1.22 5.03 -1.59 0.29 117.51 120.83 2d90 h ILE 74 Ca 0.42 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.86 2d90 h ILE 74 Cb 0.65 -0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 34.37 2d90 h ILE 74 CO -0.91 0.15 -0.11 0.03 -0.68 0.00 0.00 178.15 176.62 2d90 h ARG 75 N 0.80 0.00 0.00 2.37 3.08 0.39 -2.21 114.38 118.82 2d90 h ARG 75 Ca 0.49 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.43 2d90 h ARG 75 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2d90 h ARG 75 CO -0.32 0.11 -0.55 0.87 -1.07 0.00 0.00 179.97 179.02 2d90 h LYS 76 N 0.00 0.00 -0.21 0.04 1.79 0.36 -3.23 116.57 115.33 2d90 h LYS 76 Ca -0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2d90 h LYS 76 Cb 0.44 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2d90 h LYS 76 CO 0.01 0.55 0.18 0.78 -1.08 0.00 0.00 179.45 179.89 2d90 h GLY 77 N 3.20 0.00 0.00 3.86 0.00 -0.83 -3.47 103.07 105.84 2d90 h GLY 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2d90 h GLY 77 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 2d90 n GLY 78 N -1.49 2.08 1.11 4.60 0.00 -1.22 -4.25 105.19 106.02 2d90 n GLY 78 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 4.23 0.17 -4.67 1.61 5.75 -1.26 -4.94 116.55 117.44 2d90 n ASP 79 Ca 0.00 0.03 -0.27 0.00 -0.01 0.00 0.00 54.79 54.54 2d90 n ASP 79 Cb 0.00 -0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 39.97 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2d90 s GLN 80 N -2.00 2.43 -0.26 0.11 -2.07 -1.26 -0.24 119.66 116.37 2d90 s GLN 80 Ca 0.00 -1.05 -0.20 0.00 -1.82 0.00 0.00 55.36 52.29 2d90 s GLN 80 Cb 0.00 -2.40 0.07 0.00 -1.09 0.00 0.00 33.01 29.59 2d90 s GLN 80 CO 0.00 0.47 0.67 -0.08 -1.32 0.00 0.00 175.29 175.03 2d90 s THR 81 N -1.63 -0.00 -0.01 3.63 -1.32 -0.61 -4.67 115.64 111.04 2d90 s THR 81 Ca 0.27 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.60 2d90 s THR 81 Cb -0.10 -0.95 -0.06 0.00 -1.51 0.00 0.00 72.50 69.89 2d90 s THR 81 CO 0.18 0.00 0.43 -0.89 -2.21 0.00 0.00 174.62 172.14 2d90 s THR 82 N 0.89 5.02 0.20 5.08 2.01 -1.26 -2.68 115.64 124.90 2d90 s THR 82 Ca -0.04 0.89 0.11 0.00 0.31 0.00 0.00 61.69 62.96 2d90 s THR 82 Cb -0.05 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2d90 s THR 82 CO -0.08 0.54 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.42 2d90 s LEU 83 N -0.85 2.51 -0.34 4.42 1.43 0.56 -0.09 118.68 126.33 2d90 s LEU 83 Ca 0.24 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2d90 s LEU 83 Cb -0.17 -1.21 0.11 0.00 0.03 0.00 0.00 46.19 44.95 2d90 s LEU 83 CO 0.13 0.11 0.12 -0.22 0.23 0.00 0.00 176.35 176.72 2d90 s LEU 84 N -2.81 2.56 0.17 1.79 2.96 -0.75 -0.31 118.68 122.28 2d90 s LEU 84 Ca 0.23 -1.87 0.05 0.00 -0.22 0.00 0.00 54.13 52.32 2d90 s LEU 84 Cb -0.08 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 2d90 s LEU 84 CO 0.11 -0.38 0.13 0.68 -1.32 0.00 0.00 176.35 175.56 2d90 s VAL 85 N 1.32 4.43 -0.07 1.68 -7.23 -1.14 -2.31 120.40 117.08 2d90 s VAL 85 Ca 0.11 -1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2d90 s VAL 85 Cb -0.19 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2d90 s VAL 85 CO -0.19 -0.11 0.15 -0.76 -0.31 0.00 0.00 175.10 173.88 2d90 s LEU 86 N -3.10 4.33 0.07 1.32 2.01 -0.93 -1.58 118.68 120.80 2d90 s LEU 86 Ca 0.31 0.39 -0.06 0.00 0.01 0.00 0.00 54.13 54.78 2d90 s LEU 86 Cb -0.10 -2.31 -0.29 0.00 0.01 0.00 0.00 46.19 43.50 2d90 s LEU 86 CO 0.23 0.34 1.12 -0.78 1.01 0.00 0.00 176.35 178.27 2d90 h ASP 87 N 4.44 0.48 -2.29 2.29 1.82 -1.95 -3.41 116.42 117.80 2d90 h ASP 87 Ca -0.52 -0.51 -0.49 0.00 -0.39 0.00 0.00 57.03 55.12 2d90 h ASP 87 Cb 1.21 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 41.04 2d90 h ASP 87 CO 0.63 1.40 -0.47 -0.75 -1.61 0.00 0.00 179.24 178.44 2d90 s LYS 88 N -2.65 3.26 -0.81 0.28 2.47 -1.26 -4.38 119.74 116.65 2d90 s LYS 88 Ca -0.05 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 53.54 2d90 s LYS 88 Cb 0.07 -2.79 0.00 0.00 -1.46 0.00 0.00 37.83 33.64 2d90 s LYS 88 CO 0.89 0.44 0.00 -0.85 0.16 0.00 0.00 175.35 175.99 2d90 n GLU 89 N -1.12 -1.95 -0.11 4.03 0.28 -1.26 -4.77 120.64 115.73 2d90 n GLU 89 Ca -0.08 0.45 -0.25 0.00 -0.16 0.00 0.00 57.16 57.12 2d90 n GLU 89 Cb 0.57 -4.86 -0.11 0.00 1.43 0.00 0.00 31.44 28.46 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2d90 n ALA 90 N -1.38 1.04 -2.21 -1.84 0.00 -1.26 -4.93 120.51 109.93 2d90 n ALA 90 Ca -0.10 -0.83 -0.41 0.00 0.00 0.00 0.00 53.44 52.11 2d90 n ALA 90 Cb 0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 2d90 n ALA 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2d90 s GLU 91 N -2.46 4.69 -0.02 0.00 -1.05 -1.25 -4.40 118.70 114.21 2d90 s GLU 91 Ca -0.33 1.40 0.07 0.00 -0.15 0.00 0.00 54.97 55.95 2d90 s GLU 91 Cb 0.10 -3.36 -0.02 0.00 -0.44 0.00 0.00 34.13 30.42 2d90 s GLU 91 CO 0.56 0.27 -0.23 -1.54 0.95 0.00 0.00 175.26 175.28 2d90 s SER 92 N -0.20 2.72 0.53 0.83 1.04 -1.26 -5.11 113.70 112.25 2d90 s SER 92 Ca 0.45 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 56.26 2d90 s SER 92 Cb -0.23 -0.38 -0.09 0.00 0.10 0.00 0.00 66.02 65.42 2d90 s SER 92 CO 0.29 0.27 0.70 -0.38 0.98 0.00 0.00 173.24 175.10 2d90 n ILE 93 N 2.59 2.52 -4.75 -1.02 2.08 -1.26 -5.00 119.36 114.52 2d90 n ILE 93 Ca -0.16 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.40 2d90 n ILE 93 Cb 0.52 -0.83 -0.16 0.00 -0.75 0.00 0.00 39.64 38.41 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2d90 s TYR 94 N -1.57 1.64 -0.86 1.39 1.13 -1.26 -5.07 117.35 112.75 2d90 s TYR 94 Ca 0.69 -0.52 0.01 0.00 -1.41 0.00 0.00 57.07 55.83 2d90 s TYR 94 Cb -0.48 -1.13 0.29 0.00 -1.10 0.00 0.00 41.96 39.54 2d90 s TYR 94 CO 0.54 -0.21 1.22 0.45 -2.51 0.00 0.00 175.55 175.04 2d90 n SER 95 N 3.38 5.44 -4.78 -0.18 2.88 -1.26 -5.06 113.62 114.03 2d90 n SER 95 Ca -0.20 -3.50 -0.33 0.00 -1.33 0.00 0.00 58.87 53.52 2d90 n SER 95 Cb 0.53 -0.97 0.03 0.00 -0.75 0.00 0.00 64.21 63.05 2d90 n SER 95 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2d90 s LEU 96 N -2.99 3.45 0.31 2.46 2.96 -1.26 -5.07 118.68 118.54 2d90 s LEU 96 Ca 0.37 1.93 0.03 0.00 -0.22 0.00 0.00 54.13 56.24 2d90 s LEU 96 Cb 0.13 -4.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.23 2d90 s LEU 96 CO 0.01 -1.42 0.10 -0.44 -1.32 0.00 0.00 176.35 173.27 2d90 s SER 97 N -2.64 1.92 0.00 3.68 0.01 -1.26 -5.12 113.70 110.29 2d90 s SER 97 Ca 0.66 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2d90 s SER 97 Cb -0.19 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.23 2d90 s SER 97 CO 0.39 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2d90 n GLY 98 N -0.64 -1.64 3.77 3.44 0.00 -1.26 -5.16 105.19 103.71 2d90 n GLY 98 Ca -0.02 0.85 -0.35 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 3.29 -0.55 1.61 0.04 -1.26 -4.89 135.00 133.24 2d90 s PRO 99 Ca 0.00 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.36 2d90 s PRO 99 Cb 0.00 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 2d90 s PRO 99 CO 0.00 -0.90 2.32 0.45 0.04 0.00 0.00 177.00 178.91 2d90 s SER 100 N -1.88 4.52 -0.00 6.66 0.15 -1.26 -4.69 113.70 117.20 2d90 s SER 100 Ca 0.72 0.83 -0.07 0.00 0.70 0.00 0.00 55.95 58.14 2d90 s SER 100 Cb -0.23 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 2d90 s SER 100 CO 0.29 -2.90 -0.13 -1.20 1.20 0.00 0.00 173.24 170.50 2d90 n SER 101 N 15.67 1.40 0.00 5.45 7.64 -1.26 -5.38 113.62 137.14 2d90 n SER 101 Ca 0.35 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2d90 n SER 101 Cb 0.53 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2d90 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64