#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 7.01 0.46 1.61 0.15 -1.26 -5.07 113.70 116.59 2d90 s SER 2 Ca 0.00 1.20 0.03 0.00 0.70 0.00 0.00 55.95 57.88 2d90 s SER 2 Cb 0.00 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2d90 s SER 2 CO 0.00 0.06 0.03 -0.94 1.20 0.00 0.00 173.24 173.59 2d90 s SER 3 N -0.05 3.74 0.00 5.45 1.04 -1.26 -5.12 113.70 117.50 2d90 s SER 3 Ca 0.33 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2d90 s SER 3 Cb -0.18 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2d90 s SER 3 CO 0.18 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2d90 n GLY 4 N -1.09 2.98 0.14 7.32 0.00 -1.26 -4.92 105.19 108.37 2d90 n GLY 4 Ca -0.12 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 2d90 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d90 h SER 5 N 0.00 -0.22 -6.52 1.61 4.64 -2.03 -3.47 113.55 107.56 2d90 h SER 5 Ca 0.00 -0.30 -0.51 0.00 -0.47 0.00 0.00 61.79 60.51 2d90 h SER 5 Cb 0.00 0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.06 2d90 h SER 5 CO 0.00 0.24 -0.86 -1.54 -0.87 0.00 0.00 176.83 173.80 2d90 n SER 6 N -5.00 -1.31 -0.97 4.97 3.41 -1.26 -4.38 113.62 109.07 2d90 n SER 6 Ca -0.09 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 2d90 n SER 6 Cb 0.26 -3.08 0.00 0.00 -0.26 0.00 0.00 64.21 61.13 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 -1.83 -4.21 3.89 5.00 0.00 -1.26 -5.01 105.19 101.77 2d90 n GLY 7 Ca -0.20 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.46 3.72 -0.22 1.61 1.70 0.92 -4.90 118.95 119.34 2d90 s ARG 8 Ca 0.00 0.14 -0.10 0.00 -0.47 0.00 0.00 55.73 55.30 2d90 s ARG 8 Cb 0.00 -2.67 -0.05 0.00 -0.57 0.00 0.00 34.95 31.66 2d90 s ARG 8 CO 0.00 0.29 0.13 0.08 -1.08 0.00 0.00 175.30 174.73 2d90 s VAL 9 N -1.90 5.29 0.17 4.99 1.01 -1.26 -2.40 120.40 126.30 2d90 s VAL 9 Ca 0.45 0.15 0.09 0.00 0.00 0.00 0.00 61.98 62.68 2d90 s VAL 9 Cb -0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2d90 s VAL 9 CO 0.25 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 2d90 s VAL 10 N 0.69 3.06 -0.09 2.92 1.01 0.11 -4.96 120.40 123.14 2d90 s VAL 10 Ca 0.07 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 2d90 s VAL 10 Cb -0.12 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2d90 s VAL 10 CO 0.01 -0.08 0.10 -0.69 0.00 0.00 0.00 175.10 174.44 2d90 s VAL 11 N -1.62 -0.16 0.23 2.92 1.01 -1.26 -1.15 120.40 120.36 2d90 s VAL 11 Ca 0.23 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.58 2d90 s VAL 11 Cb -0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2d90 s VAL 11 CO 0.14 0.06 -0.18 -0.63 0.00 0.00 0.00 175.10 174.49 2d90 s ILE 12 N 2.21 2.10 -0.10 2.22 1.01 -0.87 -4.65 121.20 123.12 2d90 s ILE 12 Ca 0.04 -2.23 -0.03 0.00 0.00 0.00 0.00 60.65 58.43 2d90 s ILE 12 Cb -0.13 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.26 2d90 s ILE 12 CO -0.05 -0.44 0.07 -0.54 0.00 0.00 0.00 174.94 173.98 2d90 s LYS 13 N -3.38 0.06 0.07 2.79 1.02 -1.26 -1.57 119.74 117.47 2d90 s LYS 13 Ca 0.24 0.14 -0.32 0.00 0.02 0.00 0.00 55.97 56.06 2d90 s LYS 13 Cb -0.04 -1.13 -0.17 0.00 -0.52 0.00 0.00 37.83 35.97 2d90 s LYS 13 CO 0.10 -0.47 0.76 1.17 -0.92 0.00 0.00 175.35 175.99 2d90 n LYS 14 N 5.27 0.00 0.00 1.68 4.81 -0.40 -4.84 118.16 124.68 2d90 n LYS 14 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 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 1.54 5.16 0.00 3.14 0.00 -0.37 -4.98 105.19 109.68 2d90 n GLY 15 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2d90 n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d90 n SER 16 N 0.00 0.00 -4.09 1.61 7.64 -1.26 -3.48 113.62 114.04 2d90 n SER 16 Ca 0.00 1.00 -0.38 0.00 1.01 0.00 0.00 58.87 60.50 2d90 n SER 16 Cb 0.00 -0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.66 2d90 n SER 16 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2d90 n ASN 17 N -2.68 4.72 0.00 6.43 4.13 -1.26 -5.04 115.26 121.57 2d90 n ASN 17 Ca 0.00 -3.18 0.00 0.00 1.68 0.00 0.00 54.58 53.08 2d90 n ASN 17 Cb 0.00 -1.11 0.00 0.00 -1.54 0.00 0.00 39.78 37.13 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 2.13 3.06 0.11 7.41 0.00 -1.23 -3.69 105.19 112.97 2d90 n GLY 18 Ca 0.23 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 0.37 0.00 1.61 4.02 -1.26 -1.23 117.16 134.67 2d90 n TYR 19 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 2d90 n TYR 19 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 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 1.41 1.95 3.38 2.72 0.00 -1.24 0.54 105.19 113.95 2d90 n GLY 20 Ca -0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 -0.54 0.47 1.61 -0.12 -1.26 -2.22 117.98 113.91 2d90 s PHE 21 Ca 0.00 1.31 0.08 0.00 -0.05 0.00 0.00 56.93 58.27 2d90 s PHE 21 Cb 0.00 0.19 0.02 0.00 -0.63 0.00 0.00 43.02 42.60 2d90 s PHE 21 CO 0.00 -0.26 0.48 0.71 -0.05 0.00 0.00 175.22 176.10 2d90 s TYR 22 N 0.34 2.27 0.01 3.49 1.51 -1.12 -4.99 117.35 118.85 2d90 s TYR 22 Ca -0.01 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 2d90 s TYR 22 Cb -0.04 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.65 2d90 s TYR 22 CO -0.00 -0.42 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.47 2d90 s LEU 23 N -4.29 2.08 0.01 -1.29 1.43 -1.26 -3.52 118.68 111.84 2d90 s LEU 23 Ca 0.49 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 2d90 s LEU 23 Cb -0.04 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.05 2d90 s LEU 23 CO 0.29 -0.05 0.04 -0.60 0.23 0.00 0.00 176.35 176.26 2d90 s ARG 24 N -0.52 0.31 -0.44 1.70 3.52 -0.35 -4.93 118.95 118.25 2d90 s ARG 24 Ca -0.03 -0.41 -0.27 0.00 -0.13 0.00 0.00 55.73 54.89 2d90 s ARG 24 Cb -0.04 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2d90 s ARG 24 CO -0.00 -0.06 2.06 0.00 -0.81 0.00 0.00 175.30 176.49 2d90 s ALA 25 N -1.14 2.29 1.21 6.12 0.00 -1.26 -1.03 121.76 127.94 2d90 s ALA 25 Ca -0.12 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.67 2d90 s ALA 25 Cb -0.07 -4.20 0.27 0.00 0.00 0.00 0.00 23.12 19.12 2d90 s ALA 25 CO -0.00 -3.55 1.03 0.41 0.00 0.00 0.00 175.76 173.65 2d90 n GLY 26 N 5.73 -2.62 0.00 0.00 0.00 -1.23 -4.92 105.19 102.14 2d90 n GLY 26 Ca 0.27 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -4.48 0.09 -0.39 1.61 -0.04 -1.26 -4.80 135.00 125.73 2d90 n PRO 27 Ca 0.14 0.00 0.35 0.00 -0.04 0.00 0.00 63.50 63.96 2d90 n PRO 27 Cb 0.54 0.00 0.63 0.00 -0.04 0.00 0.00 33.50 34.63 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 0.02 -5.97 0.54 5.08 -1.98 -3.38 114.58 108.89 2d90 h GLU 28 Ca 0.00 -0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2d90 h GLU 28 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2d90 h GLU 28 CO 0.00 0.01 1.48 0.94 -1.00 0.00 0.00 179.01 180.44 2d90 n GLN 29 N -5.00 1.63 -1.61 2.33 -0.06 -1.26 -4.88 117.38 108.53 2d90 n GLN 29 Ca 0.39 0.44 -0.44 0.00 -2.00 0.00 0.00 57.00 55.39 2d90 n GLN 29 Cb 1.40 -2.98 -0.01 0.00 -4.06 0.00 0.00 30.24 24.60 2d90 n GLN 29 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2d90 n LYS 30 N 8.59 1.51 0.00 3.69 4.76 -1.26 -4.77 118.16 130.68 2d90 n LYS 30 Ca 0.34 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 2d90 n LYS 30 Cb 0.37 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2d90 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d90 n GLY 31 N 1.12 2.87 3.87 0.72 0.00 -1.22 -4.71 105.19 107.84 2d90 n GLY 31 Ca 0.08 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.61 3.22 -0.14 1.61 -1.52 -1.01 -3.55 119.66 115.66 2d90 s GLN 32 Ca 0.00 -0.59 -0.05 0.00 -1.95 0.00 0.00 55.36 52.77 2d90 s GLN 32 Cb 0.00 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.86 2d90 s GLN 32 CO 0.00 0.57 0.05 0.42 -0.25 0.00 0.00 175.29 176.07 2d90 s ILE 33 N -1.54 4.67 0.32 1.08 1.01 -0.20 -0.19 121.20 126.35 2d90 s ILE 33 Ca 0.33 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 2d90 s ILE 33 Cb -0.12 -3.05 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 2d90 s ILE 33 CO 0.26 0.53 0.67 -0.63 0.00 0.00 0.00 174.94 175.77 2d90 s ILE 34 N -0.25 4.85 0.00 2.92 1.01 -0.26 -1.21 121.20 128.26 2d90 s ILE 34 Ca 0.07 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 2d90 s ILE 34 Cb -0.12 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.78 2d90 s ILE 34 CO 0.02 -0.30 1.18 -1.59 0.00 0.00 0.00 174.94 174.24 2d90 s LYS 35 N -3.37 0.60 -1.30 2.79 -2.85 -1.23 -0.33 119.74 114.06 2d90 s LYS 35 Ca 0.49 -0.32 -0.03 0.00 -1.00 0.00 0.00 55.97 55.11 2d90 s LYS 35 Cb -0.11 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2d90 s LYS 35 CO 0.26 -0.27 0.94 -0.25 0.10 0.00 0.00 175.35 176.12 2d90 n ASP 36 N -0.42 -2.84 -4.73 0.03 9.92 -1.26 -2.81 116.55 114.44 2d90 n ASP 36 Ca -0.07 -0.69 -0.42 0.00 -0.53 0.00 0.00 54.79 53.09 2d90 n ASP 36 Cb 0.62 -4.63 -0.03 0.00 -0.64 0.00 0.00 41.12 36.43 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 -3.44 3.30 0.21 0.53 1.01 -1.26 -4.57 121.20 116.98 2d90 s ILE 37 Ca 0.18 1.03 -0.24 0.00 0.00 0.00 0.00 60.65 61.62 2d90 s ILE 37 Cb -0.08 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 2d90 s ILE 37 CO 0.77 0.13 0.80 -1.61 0.00 0.00 0.00 174.94 175.03 2d90 s GLU 38 N 0.21 4.50 0.73 2.79 2.02 -0.94 -5.02 118.70 122.98 2d90 s GLU 38 Ca 0.58 1.13 -0.12 0.00 0.02 0.00 0.00 54.97 56.58 2d90 s GLU 38 Cb -0.36 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 30.83 2d90 s GLU 38 CO 0.36 0.47 1.10 -1.25 0.02 0.00 0.00 175.26 175.96 2d90 s PRO 39 N -1.54 2.47 -0.07 0.39 0.04 -1.26 -3.28 135.00 131.74 2d90 s PRO 39 Ca 0.41 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2d90 s PRO 39 Cb -0.21 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2d90 s PRO 39 CO 0.25 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2d90 n GLY 40 N -0.94 -0.37 3.87 0.56 0.00 -1.26 -4.87 105.19 102.18 2d90 n GLY 40 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.78 5.94 0.58 1.61 1.04 -1.20 -4.94 113.70 114.94 2d90 s SER 41 Ca 0.00 0.06 0.31 0.00 0.48 0.00 0.00 55.95 56.80 2d90 s SER 41 Cb 0.00 -1.69 1.38 0.00 0.10 0.00 0.00 66.02 65.81 2d90 s SER 41 CO 0.00 0.09 1.73 -0.65 0.98 0.00 0.00 173.24 175.39 2d90 h PRO 42 N 2.54 0.00 -0.00 4.02 0.11 -1.75 0.27 132.00 137.19 2d90 h PRO 42 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 2d90 h PRO 42 Cb 1.19 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.67 0.00 -0.79 0.00 -0.21 0.00 0.00 178.00 177.68 2d90 h ALA 43 N 1.22 0.10 -0.27 -0.75 0.00 -0.15 -1.93 119.26 117.48 2d90 h ALA 43 Ca 0.40 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2d90 h ALA 43 Cb 1.96 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 2d90 h ALA 43 CO -0.00 0.49 -0.39 1.49 0.00 0.00 0.00 179.25 180.83 2d90 h GLU 44 N 0.10 0.73 0.00 0.00 4.22 -0.73 -2.87 114.58 116.04 2d90 h GLU 44 Ca -0.10 -0.43 -0.04 0.00 0.08 0.00 0.00 59.36 58.87 2d90 h GLU 44 Cb 1.47 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2d90 h GLU 44 CO 0.15 1.06 -0.20 0.00 -2.18 0.00 0.00 179.01 177.85 2d90 h ALA 45 N 0.67 1.02 0.00 2.92 0.00 -1.19 -2.86 119.26 119.83 2d90 h ALA 45 Ca 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2d90 h ALA 45 Cb 0.98 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2d90 h ALA 45 CO 0.09 0.24 -0.37 0.00 0.00 0.00 0.00 179.25 179.21 2d90 h ALA 46 N 1.80 1.29 0.00 0.00 0.00 -1.21 -3.47 119.26 117.67 2d90 h ALA 46 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2d90 h ALA 46 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2d90 h ALA 46 CO 0.03 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2d90 n GLY 47 N -0.33 0.95 2.46 0.00 0.00 -1.08 -4.54 105.19 102.65 2d90 n GLY 47 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2d90 n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d90 n LEU 48 N 0.00 0.00 -3.64 0.99 4.77 -1.09 -5.06 117.00 112.97 2d90 n LEU 48 Ca 0.00 -0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 55.46 2d90 n LEU 48 Cb 0.00 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 2d90 n LEU 48 CO 0.00 -2.28 0.66 -0.54 -1.33 0.00 0.00 177.39 173.90 2d90 s LYS 49 N -3.41 0.58 0.70 3.23 1.02 -1.26 -4.95 119.74 115.65 2d90 s LYS 49 Ca 0.32 0.70 -0.16 0.00 0.02 0.00 0.00 55.97 56.84 2d90 s LYS 49 Cb -0.06 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 2d90 s LYS 49 CO 0.27 -0.07 0.92 0.09 -0.92 0.00 0.00 175.35 175.64 2d90 n ASN 50 N 2.35 0.35 -2.43 2.83 4.13 -1.26 -2.50 115.26 118.72 2d90 n ASN 50 Ca -0.13 0.69 -0.20 0.00 1.68 0.00 0.00 54.58 56.62 2d90 n ASN 50 Cb 0.56 -1.38 0.01 0.00 -1.54 0.00 0.00 39.78 37.42 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 -1.34 -5.67 -4.59 6.41 3.02 0.56 -4.95 115.26 108.70 2d90 n ASN 51 Ca 0.13 -0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 2d90 n ASN 51 Cb 0.49 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 34.97 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 -2.34 6.51 -0.33 6.41 1.11 -1.04 -4.64 116.67 122.34 2d90 s ASP 52 Ca 0.10 0.40 -0.23 0.00 0.18 0.00 0.00 52.55 53.00 2d90 s ASP 52 Cb -0.05 -2.34 0.00 0.00 1.07 0.00 0.00 42.92 41.60 2d90 s ASP 52 CO 0.13 -0.53 0.75 -0.22 1.18 0.00 0.00 175.17 176.47 2d90 s LEU 53 N 2.70 4.13 -0.25 1.23 2.96 -1.26 -1.10 118.68 127.09 2d90 s LEU 53 Ca 0.26 0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 54.45 2d90 s LEU 53 Cb -0.15 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 2d90 s LEU 53 CO 0.13 -0.64 0.51 -0.69 -1.32 0.00 0.00 176.35 174.33 2d90 s VAL 54 N 2.94 5.08 -0.16 1.68 1.01 0.74 -2.28 120.40 129.41 2d90 s VAL 54 Ca 0.30 0.87 0.17 0.00 0.00 0.00 0.00 61.98 63.32 2d90 s VAL 54 Cb -0.14 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.18 2d90 s VAL 54 CO 0.14 0.11 0.12 1.33 0.00 0.00 0.00 175.10 176.80 2d90 n VAL 55 N 5.05 1.08 -4.02 2.92 0.24 -0.83 -2.41 118.33 120.36 2d90 n VAL 55 Ca -0.04 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.34 61.42 2d90 n VAL 55 Cb 0.50 -0.42 -0.11 0.00 -1.47 0.00 0.00 33.84 32.34 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 0.29 -0.05 2.33 0.00 -1.23 -1.85 121.76 118.66 2d90 s ALA 56 Ca -0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2d90 s ALA 56 Cb 0.07 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2d90 s ALA 56 CO 0.77 -0.17 0.04 0.08 0.00 0.00 0.00 175.76 176.48 2d90 s VAL 57 N -1.89 0.03 -1.55 0.00 1.01 -0.03 -1.68 120.40 116.30 2d90 s VAL 57 Ca -0.11 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 2d90 s VAL 57 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2d90 s VAL 57 CO -0.02 0.19 0.34 0.59 0.00 0.00 0.00 175.10 176.20 2d90 n ASN 58 N 5.11 -5.76 -0.77 3.32 3.02 -0.52 -1.94 115.26 117.72 2d90 n ASN 58 Ca -0.07 -0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.25 2d90 n ASN 58 Cb 0.50 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 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 -1.29 0.18 3.16 7.41 0.00 -1.26 -5.03 105.19 108.36 2d90 n GLY 59 Ca -0.16 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.44 0.81 -0.57 1.61 -0.14 -0.82 -5.11 119.74 111.08 2d90 s LYS 60 Ca 0.02 -1.17 -0.26 0.00 -1.36 0.00 0.00 55.97 53.20 2d90 s LYS 60 Cb -0.01 -0.40 0.04 0.00 -1.68 0.00 0.00 37.83 35.77 2d90 s LYS 60 CO 0.03 0.05 1.07 -1.54 -0.76 0.00 0.00 175.35 174.19 2d90 s SER 61 N -2.54 6.39 -0.01 2.83 1.04 -1.26 -0.85 113.70 119.30 2d90 s SER 61 Ca 0.06 -0.13 0.16 0.00 0.48 0.00 0.00 55.95 56.51 2d90 s SER 61 Cb -0.01 -2.49 -0.22 0.00 0.10 0.00 0.00 66.02 63.39 2d90 s SER 61 CO -0.01 -1.36 0.44 1.33 0.98 0.00 0.00 173.24 174.62 2d90 n VAL 62 N 6.43 0.00 0.16 5.02 0.24 -1.08 -4.37 118.33 124.73 2d90 n VAL 62 Ca 0.05 -0.29 0.10 0.00 -2.04 0.00 0.00 64.34 62.16 2d90 n VAL 62 Cb 0.48 0.41 0.55 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.83 0.13 0.00 7.34 0.00 -0.77 -0.04 120.64 125.48 2d90 n GLU 63 Ca -0.01 0.63 0.11 0.00 0.00 0.00 0.00 57.16 57.88 2d90 n GLU 63 Cb 0.36 -1.96 -0.07 0.00 0.00 0.00 0.00 31.44 29.77 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 -1.75 4.01 -2.42 -1.84 0.00 -1.26 -3.45 120.51 113.80 2d90 n ALA 64 Ca -0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 2d90 n ALA 64 Cb 0.06 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 2d90 n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d90 s LEU 65 N -3.48 4.02 0.00 0.00 1.43 0.95 -5.10 118.68 116.50 2d90 s LEU 65 Ca 0.04 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 2d90 s LEU 65 Cb 0.15 -3.68 0.20 0.00 0.03 0.00 0.00 46.19 42.89 2d90 s LEU 65 CO 0.85 -0.23 1.14 -0.90 0.23 0.00 0.00 176.35 177.44 2d90 n ASP 66 N -0.89 0.01 -0.23 2.29 5.75 -1.26 -4.61 116.55 117.61 2d90 n ASP 66 Ca -0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 2d90 n ASP 66 Cb 0.54 -0.88 0.07 0.00 -1.03 0.00 0.00 41.12 39.82 2d90 n ASP 66 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2d90 h HIS 67 N -1.70 -0.37 0.69 2.11 -0.00 -1.98 -1.29 115.15 112.61 2d90 h HIS 67 Ca -0.37 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.03 2d90 h HIS 67 Cb 1.02 0.27 0.01 0.00 -0.00 0.00 0.00 27.41 28.70 2d90 h HIS 67 CO 0.00 -0.29 -0.33 -0.44 -0.00 0.00 0.00 177.93 176.87 2d90 h ASP 68 N -0.00 -0.79 -0.89 3.26 5.19 -1.97 -1.52 116.42 119.70 2d90 h ASP 68 Ca 0.32 -0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.82 2d90 h ASP 68 Cb 0.49 0.20 -0.12 0.00 0.18 0.00 0.00 39.33 40.09 2d90 h ASP 68 CO -0.69 -0.48 -0.56 1.23 -3.12 0.00 0.00 179.24 175.61 2d90 h GLY 69 N -1.07 -0.79 0.73 2.75 0.00 -1.71 0.73 103.07 103.71 2d90 h GLY 69 Ca -0.09 0.76 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 2d90 h GLY 69 CO 0.16 -0.00 -0.43 -2.08 0.00 0.00 0.00 176.54 174.18 2d90 h VAL 70 N -0.07 0.00 -0.77 4.60 2.07 -1.30 -1.94 116.25 118.84 2d90 h VAL 70 Ca 0.16 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.90 2d90 h VAL 70 Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2d90 h VAL 70 CO -0.88 0.00 0.69 0.58 0.02 0.00 0.00 177.57 177.98 2d90 h VAL 71 N -1.08 0.36 0.13 2.57 2.07 -0.66 -0.36 116.25 119.28 2d90 h VAL 71 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2d90 h VAL 71 Cb 0.86 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2d90 h VAL 71 CO 0.11 0.00 -0.06 -0.08 0.02 0.00 0.00 177.57 177.56 2d90 h GLU 72 N 0.00 -0.17 -0.87 1.57 4.81 0.11 -3.13 114.58 116.90 2d90 h GLU 72 Ca 0.37 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.83 2d90 h GLU 72 Cb 1.74 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 31.01 2d90 h GLU 72 CO -0.00 0.27 0.12 0.52 -0.73 0.00 0.00 179.01 179.19 2d90 h MET 73 N -0.71 0.13 -0.31 1.92 2.86 -0.33 0.23 114.93 118.71 2d90 h MET 73 Ca -0.02 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2d90 h MET 73 Cb 0.52 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2d90 h MET 73 CO 0.03 0.08 0.10 0.82 1.06 0.00 0.00 176.91 179.00 2d90 h ILE 74 N 0.13 0.90 -0.81 -1.22 2.04 -1.56 -2.06 117.51 114.94 2d90 h ILE 74 Ca 0.52 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 66.31 2d90 h ILE 74 Cb 1.03 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 2d90 h ILE 74 CO -0.72 0.04 0.53 0.03 0.00 0.00 0.00 178.15 178.04 2d90 h ARG 75 N 0.23 1.07 0.00 2.37 3.08 -0.57 -1.05 114.38 119.51 2d90 h ARG 75 Ca 0.14 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2d90 h ARG 75 Cb 0.12 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2d90 h ARG 75 CO -0.15 0.71 -0.03 0.87 -1.07 0.00 0.00 179.97 180.31 2d90 h LYS 76 N 1.10 0.00 -0.01 0.04 1.57 -0.58 -2.08 116.57 116.60 2d90 h LYS 76 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2d90 h LYS 76 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2d90 h LYS 76 CO -0.06 0.03 0.06 0.78 -0.57 0.00 0.00 179.45 179.69 2d90 h GLY 77 N 0.52 0.00 0.00 3.86 0.00 -0.51 -3.47 103.07 103.47 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 -1.16 1.59 0.73 4.60 0.00 -0.79 -4.21 105.19 105.95 2d90 n GLY 78 Ca -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 2d90 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d90 n ASP 79 N 4.46 1.31 -4.78 1.61 9.92 -1.26 -4.97 116.55 122.83 2d90 n ASP 79 Ca 0.00 0.19 -0.22 0.00 -0.53 0.00 0.00 54.79 54.23 2d90 n ASP 79 Cb 0.00 -0.45 -0.05 0.00 -0.64 0.00 0.00 41.12 39.98 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d90 s GLN 80 N -2.29 2.70 0.08 -1.24 -2.07 -1.26 -1.27 119.66 114.31 2d90 s GLN 80 Ca -0.10 -1.23 -0.22 0.00 -1.82 0.00 0.00 55.36 51.99 2d90 s GLN 80 Cb 0.02 -2.42 0.05 0.00 -1.09 0.00 0.00 33.01 29.57 2d90 s GLN 80 CO 0.15 0.30 0.53 -0.08 -1.32 0.00 0.00 175.29 174.86 2d90 s THR 81 N -2.24 0.03 -0.11 3.63 -1.32 -0.61 -4.71 115.64 110.31 2d90 s THR 81 Ca 0.35 -0.23 -0.03 0.00 -1.21 0.00 0.00 61.69 60.57 2d90 s THR 81 Cb -0.07 -1.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2d90 s THR 81 CO 0.24 -0.13 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.62 2d90 s THR 82 N -2.96 4.22 -0.03 5.08 2.01 -1.26 -2.04 115.64 120.66 2d90 s THR 82 Ca -0.02 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.78 2d90 s THR 82 Cb -0.00 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 2d90 s THR 82 CO -0.06 0.57 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.43 2d90 s LEU 83 N -0.49 2.12 -0.39 4.42 1.43 -0.30 -1.44 118.68 124.03 2d90 s LEU 83 Ca 0.08 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2d90 s LEU 83 Cb -0.12 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 44.84 2d90 s LEU 83 CO 0.02 0.30 0.16 -0.22 0.23 0.00 0.00 176.35 176.84 2d90 s LEU 84 N -0.49 5.05 0.09 1.79 2.96 -0.67 0.05 118.68 127.45 2d90 s LEU 84 Ca 0.06 -2.14 0.04 0.00 -0.22 0.00 0.00 54.13 51.88 2d90 s LEU 84 Cb -0.11 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2d90 s LEU 84 CO 0.00 -0.47 0.03 0.68 -1.32 0.00 0.00 176.35 175.28 2d90 s VAL 85 N 0.96 4.21 0.30 1.68 -7.23 -1.01 -1.96 120.40 117.35 2d90 s VAL 85 Ca 0.10 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2d90 s VAL 85 Cb -0.21 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 2d90 s VAL 85 CO -0.05 0.12 0.29 -0.76 -0.31 0.00 0.00 175.10 174.39 2d90 s LEU 86 N -2.34 3.79 -0.12 1.32 1.43 -0.97 -0.05 118.68 121.74 2d90 s LEU 86 Ca 0.27 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 2d90 s LEU 86 Cb -0.12 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2d90 s LEU 86 CO 0.20 -0.23 -0.27 -0.67 0.23 0.00 0.00 176.35 175.61 2d90 n ASP 87 N -1.35 1.61 -0.23 2.29 2.03 -1.26 -4.10 116.55 115.54 2d90 n ASP 87 Ca -0.04 0.27 -0.01 0.00 0.52 0.00 0.00 54.79 55.53 2d90 n ASP 87 Cb 0.59 -0.65 0.11 0.00 -0.72 0.00 0.00 41.12 40.44 2d90 n ASP 87 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2d90 h LYS 88 N -0.76 0.63 -0.99 -0.67 6.56 -1.97 -0.55 116.57 118.81 2d90 h LYS 88 Ca 0.00 -0.04 -0.28 0.00 -1.06 0.00 0.00 60.65 59.27 2d90 h LYS 88 Cb 0.76 -0.14 -0.17 0.00 -0.57 0.00 0.00 32.23 32.11 2d90 h LYS 88 CO 0.00 0.42 0.36 0.39 -2.06 0.00 0.00 179.45 178.55 2d90 n GLU 89 N -4.82 1.73 -0.12 3.15 1.02 -1.26 -4.17 120.64 116.17 2d90 n GLU 89 Ca 0.09 -1.67 -0.26 0.00 -0.02 0.00 0.00 57.16 55.30 2d90 n GLU 89 Cb 0.20 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 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 -0.39 1.02 -2.57 0.62 0.00 -0.22 -4.74 120.51 114.23 2d90 n ALA 90 Ca 0.33 -0.84 -0.39 0.00 0.00 0.00 0.00 53.44 52.54 2d90 n ALA 90 Cb 1.14 -0.16 -0.11 0.00 0.00 0.00 0.00 19.45 20.33 2d90 n ALA 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d90 s GLU 91 N -2.45 3.71 -0.48 0.00 2.56 -1.26 -4.69 118.70 116.10 2d90 s GLU 91 Ca -0.35 -0.49 -0.10 0.00 0.00 0.00 0.00 54.97 54.04 2d90 s GLU 91 Cb 0.11 -3.73 0.12 0.00 2.00 0.00 0.00 34.13 32.63 2d90 s GLU 91 CO 0.53 -0.32 0.36 0.45 -0.56 0.00 0.00 175.26 175.72 2d90 s SER 92 N 1.74 5.74 0.23 -1.70 0.15 -1.26 -5.06 113.70 113.54 2d90 s SER 92 Ca 0.06 -1.91 -0.28 0.00 0.70 0.00 0.00 55.95 54.52 2d90 s SER 92 Cb -0.17 -2.03 -0.09 0.00 -1.71 0.00 0.00 66.02 62.03 2d90 s SER 92 CO 0.11 -0.71 0.90 -0.63 1.20 0.00 0.00 173.24 174.11 2d90 s ILE 93 N 1.38 4.15 -0.41 6.45 -1.09 -1.26 -5.02 121.20 125.40 2d90 s ILE 93 Ca 0.06 1.97 -0.21 0.00 -2.23 0.00 0.00 60.65 60.24 2d90 s ILE 93 Cb -0.27 -4.25 0.02 0.00 -1.58 0.00 0.00 42.46 36.38 2d90 s ILE 93 CO -0.00 0.46 0.65 -0.31 -1.23 0.00 0.00 174.94 174.51 2d90 s TYR 94 N -1.22 3.09 -0.37 3.97 1.51 -1.26 -5.02 117.35 118.05 2d90 s TYR 94 Ca 0.41 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.56 2d90 s TYR 94 Cb -0.25 -3.30 0.10 0.00 -0.11 0.00 0.00 41.96 38.40 2d90 s TYR 94 CO 0.30 -0.80 0.12 0.45 -1.11 0.00 0.00 175.55 174.51 2d90 s SER 95 N 1.95 5.00 -0.37 2.29 0.15 -1.26 -5.07 113.70 116.39 2d90 s SER 95 Ca 0.24 -2.05 -0.11 0.00 0.70 0.00 0.00 55.95 54.73 2d90 s SER 95 Cb -0.14 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 2d90 s SER 95 CO 0.18 -0.45 0.20 -0.22 1.20 0.00 0.00 173.24 174.15 2d90 s LEU 96 N 1.03 4.65 0.45 3.45 2.96 -1.26 -5.08 118.68 124.89 2d90 s LEU 96 Ca 0.09 -0.97 0.05 0.00 -0.22 0.00 0.00 54.13 53.07 2d90 s LEU 96 Cb -0.21 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2d90 s LEU 96 CO -0.06 -0.37 0.03 -0.94 -1.32 0.00 0.00 176.35 173.69 2d90 s SER 97 N 1.55 4.02 0.00 3.68 1.04 -1.26 -5.00 113.70 117.73 2d90 s SER 97 Ca 0.02 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2d90 s SER 97 Cb -0.19 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2d90 s SER 97 CO 0.06 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2d90 n GLY 98 N -1.11 -0.29 2.48 7.32 0.00 -1.26 -5.10 105.19 107.23 2d90 n GLY 98 Ca -0.10 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2d90 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d90 n PRO 99 N -0.19 -2.54 -1.51 1.61 -0.04 -1.26 -4.87 135.00 126.20 2d90 n PRO 99 Ca 0.00 -1.24 -0.59 0.00 -0.04 0.00 0.00 63.50 61.63 2d90 n PRO 99 Cb 0.00 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 2d90 n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d90 n SER 100 N -4.33 0.08 -3.86 3.54 3.41 -1.26 -4.95 113.62 106.26 2d90 n SER 100 Ca 0.11 1.16 -0.14 0.00 -0.26 0.00 0.00 58.87 59.74 2d90 n SER 100 Cb 0.42 -0.93 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 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 0.10 0.61 0.00 4.04 0.15 -1.26 -5.32 113.70 112.01 2d90 s SER 101 Ca 0.91 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2d90 s SER 101 Cb -1.26 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.52 2d90 s SER 101 CO 0.57 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.65