#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 6.13 -0.16 1.61 0.01 -1.26 -5.08 113.70 114.95 2d90 s SER 2 Ca 0.00 0.43 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 2d90 s SER 2 Cb 0.00 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2d90 s SER 2 CO 0.00 -0.46 0.38 -0.94 0.41 0.00 0.00 173.24 172.63 2d90 s SER 3 N -4.11 6.51 0.28 2.44 1.04 -1.26 -4.91 113.70 113.70 2d90 s SER 3 Ca 0.43 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2d90 s SER 3 Cb -0.10 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2d90 s SER 3 CO 0.37 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2d90 n GLY 4 N 3.53 -3.62 3.22 7.32 0.00 -1.26 -5.06 105.19 109.31 2d90 n GLY 4 Ca -0.09 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.52 1.21 -0.07 1.61 1.04 -1.26 -5.17 113.70 107.54 2d90 s SER 5 Ca 0.00 -1.10 -0.08 0.00 0.48 0.00 0.00 55.95 55.24 2d90 s SER 5 Cb 0.00 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2d90 s SER 5 CO 0.00 -0.52 0.23 -0.44 0.98 0.00 0.00 173.24 173.49 2d90 s SER 6 N -3.13 -0.20 0.00 7.02 0.01 -1.26 -4.93 113.70 111.21 2d90 s SER 6 Ca 0.19 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2d90 s SER 6 Cb 0.06 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2d90 s SER 6 CO 0.01 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2d90 n GLY 7 N 2.62 -1.71 3.91 3.44 0.00 -1.26 -5.01 105.19 107.18 2d90 n GLY 7 Ca -0.15 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.11 2.73 -0.27 1.61 1.70 0.03 -4.90 118.95 117.74 2d90 s ARG 8 Ca 0.00 0.06 -0.02 0.00 -0.47 0.00 0.00 55.73 55.30 2d90 s ARG 8 Cb 0.00 -2.19 0.03 0.00 -0.57 0.00 0.00 34.95 32.23 2d90 s ARG 8 CO 0.00 -0.91 -0.04 0.08 -1.08 0.00 0.00 175.30 173.35 2d90 s VAL 9 N -3.14 2.96 -0.00 4.99 1.01 -1.26 -2.99 120.40 121.96 2d90 s VAL 9 Ca 0.56 -1.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2d90 s VAL 9 Cb -0.11 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2d90 s VAL 9 CO 0.47 0.10 0.17 -0.69 0.00 0.00 0.00 175.10 175.14 2d90 s VAL 10 N 1.31 5.31 -0.05 2.92 1.01 0.70 -4.94 120.40 126.66 2d90 s VAL 10 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2d90 s VAL 10 Cb -0.18 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.76 2d90 s VAL 10 CO -0.03 0.31 0.08 -0.69 0.00 0.00 0.00 175.10 174.78 2d90 s VAL 11 N -1.32 -0.14 0.09 2.92 1.01 -1.26 -0.10 120.40 121.60 2d90 s VAL 11 Ca 0.27 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2d90 s VAL 11 Cb -0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 2d90 s VAL 11 CO 0.19 0.17 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 2d90 s ILE 12 N 2.15 1.32 -0.21 2.22 1.01 -1.08 -4.61 121.20 122.01 2d90 s ILE 12 Ca 0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 2d90 s ILE 12 Cb -0.12 -1.27 0.06 0.00 0.01 0.00 0.00 42.46 41.14 2d90 s ILE 12 CO -0.04 -0.19 -0.01 -0.54 0.00 0.00 0.00 174.94 174.15 2d90 s LYS 13 N -1.89 1.18 0.04 2.79 1.02 -1.26 -1.63 119.74 119.98 2d90 s LYS 13 Ca 0.02 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.04 2d90 s LYS 13 Cb -0.09 -2.33 -0.14 0.00 -0.52 0.00 0.00 37.83 34.75 2d90 s LYS 13 CO 0.03 -0.60 0.67 1.17 -0.92 0.00 0.00 175.35 175.70 2d90 n LYS 14 N 4.85 0.00 0.00 1.68 4.81 0.14 -4.87 118.16 124.78 2d90 n LYS 14 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 2d90 n LYS 14 Cb 0.46 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.51 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 1.20 0.78 0.65 3.14 0.00 -1.15 -4.97 105.19 104.85 2d90 n GLY 15 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 2d90 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d90 n SER 16 N 0.00 0.95 -2.59 1.61 2.88 -1.26 -4.72 113.62 110.49 2d90 n SER 16 Ca 0.00 0.16 -0.37 0.00 -1.33 0.00 0.00 58.87 57.33 2d90 n SER 16 Cb 0.00 -0.37 0.06 0.00 -0.75 0.00 0.00 64.21 63.15 2d90 n SER 16 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2d90 n ASN 17 N -3.60 7.50 0.00 -3.46 4.13 -1.26 -5.04 115.26 113.54 2d90 n ASN 17 Ca -0.18 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.27 2d90 n ASN 17 Cb 0.55 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 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 -0.74 -0.72 0.06 7.41 0.00 -1.26 -4.43 105.19 105.52 2d90 n GLY 18 Ca 0.58 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 2d90 n GLY 18 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2d90 h TYR 19 N 0.00 -0.02 0.00 1.61 0.05 -1.95 -3.04 116.97 113.62 2d90 h TYR 19 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2d90 h TYR 19 Cb 0.00 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.75 2d90 h TYR 19 CO 0.00 0.23 0.00 0.41 -1.05 0.00 0.00 178.16 177.75 2d90 n GLY 20 N 1.68 1.98 3.22 3.88 0.00 -1.26 -0.31 105.19 114.38 2d90 n GLY 20 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.46 -0.04 1.61 -0.71 -1.26 -2.20 117.98 112.92 2d90 s PHE 21 Ca 0.00 1.05 0.04 0.00 -1.04 0.00 0.00 56.93 56.98 2d90 s PHE 21 Cb 0.00 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 2d90 s PHE 21 CO 0.00 -0.26 -0.15 0.71 -1.34 0.00 0.00 175.22 174.19 2d90 s TYR 22 N 0.85 2.68 0.27 3.49 1.51 -1.10 -4.99 117.35 120.06 2d90 s TYR 22 Ca -0.05 -0.17 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 2d90 s TYR 22 Cb -0.06 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 2d90 s TYR 22 CO -0.06 0.19 0.14 -0.51 -1.11 0.00 0.00 175.55 174.20 2d90 s LEU 23 N -0.84 3.58 -0.05 -1.29 1.43 -1.26 -1.05 118.68 119.20 2d90 s LEU 23 Ca 0.12 -0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 2d90 s LEU 23 Cb -0.11 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2d90 s LEU 23 CO 0.01 -0.06 0.56 -0.60 0.23 0.00 0.00 176.35 176.49 2d90 s ARG 24 N -3.80 0.91 -0.43 1.70 3.52 -0.58 -4.96 118.95 115.31 2d90 s ARG 24 Ca 0.33 0.16 -0.27 0.00 -0.13 0.00 0.00 55.73 55.82 2d90 s ARG 24 Cb -0.07 0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 2d90 s ARG 24 CO 0.23 -0.26 1.98 0.00 -0.81 0.00 0.00 175.30 176.44 2d90 s ALA 25 N -1.12 2.42 0.95 6.12 0.00 -1.26 -2.32 121.76 126.55 2d90 s ALA 25 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2d90 s ALA 25 Cb -0.02 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.93 2d90 s ALA 25 CO 0.07 -3.36 0.00 0.41 0.00 0.00 0.00 175.76 172.89 2d90 n GLY 26 N 5.65 -0.73 0.00 0.00 0.00 -1.26 -4.98 105.19 103.87 2d90 n GLY 26 Ca 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.33 -0.61 -0.18 1.61 -0.04 -1.26 -4.81 135.00 129.38 2d90 n PRO 27 Ca 0.00 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.76 2d90 n PRO 27 Cb 0.00 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.14 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 -6.19 0.54 5.08 -1.98 -3.42 114.58 108.61 2d90 h GLU 28 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 2d90 h GLU 28 Cb 0.00 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.33 2d90 h GLU 28 CO 0.00 0.00 0.08 0.94 -1.00 0.00 0.00 179.01 179.03 2d90 n GLN 29 N -3.79 0.68 -2.44 2.33 7.27 -1.26 -4.84 117.38 115.33 2d90 n GLN 29 Ca 0.20 0.24 -0.43 0.00 0.07 0.00 0.00 57.00 57.08 2d90 n GLN 29 Cb 1.16 -1.66 -0.02 0.00 2.41 0.00 0.00 30.24 32.13 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2d90 s LYS 30 N -0.37 3.59 0.00 3.69 3.01 -1.26 -4.85 119.74 123.55 2d90 s LYS 30 Ca 0.76 0.74 0.00 0.00 -1.01 0.00 0.00 55.97 56.46 2d90 s LYS 30 Cb -0.97 -4.00 0.00 0.00 -1.01 0.00 0.00 37.83 31.85 2d90 s LYS 30 CO 0.54 -1.55 0.00 0.41 0.51 0.00 0.00 175.35 175.26 2d90 n GLY 31 N 5.03 2.70 3.75 -3.33 0.00 -1.26 -4.55 105.19 107.54 2d90 n GLY 31 Ca 0.14 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.82 2.93 -0.02 1.61 -1.52 -0.67 -4.35 119.66 115.82 2d90 s GLN 32 Ca 0.00 -0.59 -0.07 0.00 -1.95 0.00 0.00 55.36 52.76 2d90 s GLN 32 Cb 0.00 -2.76 -0.05 0.00 -0.22 0.00 0.00 33.01 29.98 2d90 s GLN 32 CO 0.00 0.61 0.24 0.42 -0.25 0.00 0.00 175.29 176.31 2d90 s ILE 33 N -1.23 5.35 0.08 1.08 1.01 -0.98 -0.77 121.20 125.73 2d90 s ILE 33 Ca 0.24 0.17 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 2d90 s ILE 33 Cb -0.12 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2d90 s ILE 33 CO 0.16 0.42 0.25 -0.63 0.00 0.00 0.00 174.94 175.14 2d90 s ILE 34 N -1.24 5.33 -0.11 2.92 1.01 -0.28 -1.53 121.20 127.30 2d90 s ILE 34 Ca 0.25 -0.24 -0.32 0.00 0.00 0.00 0.00 60.65 60.33 2d90 s ILE 34 Cb -0.13 -3.62 0.12 0.00 0.01 0.00 0.00 42.46 38.84 2d90 s ILE 34 CO 0.14 0.13 1.07 -1.59 0.00 0.00 0.00 174.94 174.69 2d90 s LYS 35 N -2.48 0.54 -0.62 2.79 -2.85 -0.22 -1.86 119.74 115.05 2d90 s LYS 35 Ca 0.36 -0.20 -0.01 0.00 -1.00 0.00 0.00 55.97 55.12 2d90 s LYS 35 Cb -0.13 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2d90 s LYS 35 CO 0.26 -0.24 0.07 -3.47 0.10 0.00 0.00 175.35 172.08 2d90 n ASP 36 N -0.16 -2.91 -4.72 0.03 2.03 -1.26 -2.71 116.55 106.85 2d90 n ASP 36 Ca -0.04 -0.04 -0.43 0.00 0.52 0.00 0.00 54.79 54.80 2d90 n ASP 36 Cb 0.60 -2.10 -0.02 0.00 -0.72 0.00 0.00 41.12 38.88 2d90 n ASP 36 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2d90 n ILE 37 N -3.90 0.90 -3.26 5.18 5.41 -1.26 -4.64 119.36 117.78 2d90 n ILE 37 Ca -0.07 -0.22 -0.36 0.00 1.00 0.00 0.00 62.75 63.09 2d90 n ILE 37 Cb 0.56 -1.78 -0.06 0.00 -0.71 0.00 0.00 39.64 37.65 2d90 n ILE 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2d90 s GLU 38 N -0.32 4.12 0.50 0.38 2.02 -0.93 -5.02 118.70 119.45 2d90 s GLU 38 Ca 0.67 0.67 -0.21 0.00 0.02 0.00 0.00 54.97 56.11 2d90 s GLU 38 Cb -0.55 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 2d90 s GLU 38 CO 0.47 0.50 1.15 -1.25 0.02 0.00 0.00 175.26 176.16 2d90 s PRO 39 N -1.71 3.56 -0.77 0.39 0.04 -1.26 -3.05 135.00 132.19 2d90 s PRO 39 Ca 0.37 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2d90 s PRO 39 Cb -0.17 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2d90 s PRO 39 CO 0.20 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2d90 n GLY 40 N 0.30 0.35 3.93 0.56 0.00 -1.26 -4.90 105.19 104.17 2d90 n GLY 40 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.77 6.37 0.56 1.61 1.04 -1.17 -4.89 113.70 115.45 2d90 s SER 41 Ca 0.00 0.42 0.34 0.00 0.48 0.00 0.00 55.95 57.20 2d90 s SER 41 Cb 0.00 -2.02 1.47 0.00 0.10 0.00 0.00 66.02 65.58 2d90 s SER 41 CO 0.00 -0.11 1.76 -0.65 0.98 0.00 0.00 173.24 175.22 2d90 h PRO 42 N 1.66 0.00 -0.02 4.02 0.11 -1.63 0.29 132.00 136.43 2d90 h PRO 42 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 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 0.66 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 178.23 2d90 h ALA 43 N 1.31 0.05 0.00 -0.75 0.00 -0.89 -1.40 119.26 117.58 2d90 h ALA 43 Ca 0.49 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2d90 h ALA 43 Cb 2.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 2d90 h ALA 43 CO -0.01 0.07 -0.54 1.49 0.00 0.00 0.00 179.25 180.26 2d90 h GLU 44 N -0.43 0.00 0.00 0.00 4.57 -1.06 -2.82 114.58 114.83 2d90 h GLU 44 Ca -0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2d90 h GLU 44 Cb 0.93 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2d90 h GLU 44 CO 0.04 0.54 -0.34 0.00 -1.18 0.00 0.00 179.01 178.07 2d90 h ALA 45 N 1.46 0.80 0.00 2.92 0.00 -0.60 -3.23 119.26 120.61 2d90 h ALA 45 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2d90 h ALA 45 Cb 1.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2d90 h ALA 45 CO 0.07 0.35 -0.50 0.00 0.00 0.00 0.00 179.25 179.17 2d90 h ALA 46 N 1.73 0.98 0.00 0.00 0.00 -1.05 -3.47 119.26 117.44 2d90 h ALA 46 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2d90 h ALA 46 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2d90 h ALA 46 CO 0.03 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2d90 n GLY 47 N 0.27 1.03 2.64 0.00 0.00 -1.20 -4.60 105.19 103.33 2d90 n GLY 47 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.08 -5.05 117.00 112.99 2d90 n LEU 48 Ca 0.00 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.49 2d90 n LEU 48 Cb 0.00 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.35 2d90 n LEU 48 CO 0.00 -2.30 0.54 -0.54 -1.33 0.00 0.00 177.39 173.76 2d90 s LYS 49 N -3.32 0.64 0.45 3.23 1.02 -1.26 -4.94 119.74 115.56 2d90 s LYS 49 Ca 0.30 0.88 -0.24 0.00 0.02 0.00 0.00 55.97 56.93 2d90 s LYS 49 Cb -0.05 0.25 -0.10 0.00 -0.52 0.00 0.00 37.83 37.41 2d90 s LYS 49 CO 0.25 -0.10 1.05 0.09 -0.92 0.00 0.00 175.35 175.73 2d90 n ASN 50 N 3.06 1.43 -1.26 2.83 4.13 -1.26 -2.41 115.26 121.77 2d90 n ASN 50 Ca -0.16 1.02 -0.10 0.00 1.68 0.00 0.00 54.58 57.02 2d90 n ASN 50 Cb 0.57 -1.39 0.01 0.00 -1.54 0.00 0.00 39.78 37.43 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 0.27 -3.38 -4.71 6.41 4.13 -0.78 -4.99 115.26 112.22 2d90 n ASN 51 Ca 0.09 -0.07 -0.39 0.00 1.68 0.00 0.00 54.58 55.90 2d90 n ASN 51 Cb 0.40 -2.48 -0.05 0.00 -1.54 0.00 0.00 39.78 36.11 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 -2.72 6.84 -0.32 6.41 1.01 -1.01 -4.79 116.67 122.08 2d90 s ASP 52 Ca 0.07 1.01 -0.11 0.00 0.71 0.00 0.00 52.55 54.22 2d90 s ASP 52 Cb -0.03 -2.36 -0.01 0.00 1.01 0.00 0.00 42.92 41.52 2d90 s ASP 52 CO 0.08 -0.12 0.20 -0.22 0.21 0.00 0.00 175.17 175.32 2d90 s LEU 53 N 0.99 4.30 -0.21 1.23 1.98 -1.25 -1.13 118.68 124.58 2d90 s LEU 53 Ca 0.32 -0.45 -0.14 0.00 -2.89 0.00 0.00 54.13 50.98 2d90 s LEU 53 Cb -0.17 -2.07 -0.04 0.00 0.66 0.00 0.00 46.19 44.57 2d90 s LEU 53 CO 0.14 -0.20 0.31 -0.69 -1.89 0.00 0.00 176.35 174.01 2d90 s VAL 54 N 1.67 5.27 -0.07 1.68 1.01 0.05 -1.43 120.40 128.58 2d90 s VAL 54 Ca 0.05 0.52 0.19 0.00 0.00 0.00 0.00 61.98 62.75 2d90 s VAL 54 Cb -0.17 -3.64 -0.29 0.00 0.00 0.00 0.00 36.38 32.27 2d90 s VAL 54 CO 0.08 0.31 0.35 1.33 0.00 0.00 0.00 175.10 177.17 2d90 n VAL 55 N 4.18 0.32 -3.82 2.92 0.24 -0.87 -1.66 118.33 119.64 2d90 n VAL 55 Ca -0.11 -0.55 -0.09 0.00 -2.04 0.00 0.00 64.34 61.55 2d90 n VAL 55 Cb 0.51 -0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 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 -3.17 -0.38 -0.03 2.33 0.00 -1.23 -0.76 121.76 118.51 2d90 s ALA 56 Ca -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 2d90 s ALA 56 Cb 0.11 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.73 2d90 s ALA 56 CO 0.83 -0.50 0.04 0.08 0.00 0.00 0.00 175.76 176.21 2d90 s VAL 57 N -3.55 -0.04 -1.76 0.00 1.01 0.49 -2.25 120.40 114.31 2d90 s VAL 57 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2d90 s VAL 57 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.25 2d90 s VAL 57 CO -0.09 0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.75 2d90 n ASN 58 N 4.85 -5.59 -0.64 3.32 3.02 0.13 -2.47 115.26 117.88 2d90 n ASN 58 Ca -0.13 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2d90 n ASN 58 Cb 0.50 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 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 -0.93 0.80 3.54 7.41 0.00 -1.26 -5.02 105.19 109.73 2d90 n GLY 59 Ca -0.23 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.57 0.52 0.15 1.61 1.02 -1.03 -5.13 119.74 112.30 2d90 s LYS 60 Ca 0.00 1.32 -0.34 0.00 0.02 0.00 0.00 55.97 56.96 2d90 s LYS 60 Cb 0.00 0.66 -0.15 0.00 -0.52 0.00 0.00 37.83 37.81 2d90 s LYS 60 CO 0.00 -0.21 1.35 0.43 -0.92 0.00 0.00 175.35 176.00 2d90 n SER 61 N 5.30 2.01 0.00 2.83 7.64 -1.26 -0.38 113.62 129.77 2d90 n SER 61 Ca -0.12 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2d90 n SER 61 Cb 0.50 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2d90 n SER 61 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2d90 n VAL 62 N 2.34 0.00 -0.56 0.44 0.24 0.06 -4.67 118.33 116.17 2d90 n VAL 62 Ca 0.16 0.00 0.46 0.00 -2.04 0.00 0.00 64.34 62.92 2d90 n VAL 62 Cb 0.24 -0.60 0.71 0.00 -1.47 0.00 0.00 33.84 32.72 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 -0.14 7.34 -0.00 -1.72 1.72 114.58 121.77 2d90 h GLU 63 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.16 2d90 h GLU 63 Cb 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.49 2d90 h GLU 63 CO 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 179.01 178.33 2d90 h ALA 64 N 0.86 0.28 -3.17 1.06 0.00 -1.87 -3.37 119.26 113.05 2d90 h ALA 64 Ca 0.80 -0.57 -0.31 0.00 0.00 0.00 0.00 54.91 54.84 2d90 h ALA 64 Cb 3.53 -0.01 0.17 0.00 0.00 0.00 0.00 17.79 21.47 2d90 h ALA 64 CO -0.01 0.58 -0.00 1.28 0.00 0.00 0.00 179.25 181.10 2d90 n LEU 65 N -4.04 0.00 -4.82 0.00 4.77 0.59 -5.07 117.00 108.43 2d90 n LEU 65 Ca -0.08 -0.84 -0.27 0.00 -0.03 0.00 0.00 56.01 54.79 2d90 n LEU 65 Cb 0.70 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2d90 n LEU 65 CO 0.51 -2.22 -0.09 -1.81 -1.33 0.00 0.00 177.39 172.46 2d90 s ASP 66 N -3.47 4.47 0.19 -1.43 1.11 -1.26 -4.81 116.67 111.46 2d90 s ASP 66 Ca 0.56 -1.25 -0.12 0.00 0.18 0.00 0.00 52.55 51.91 2d90 s ASP 66 Cb -0.07 0.09 0.22 0.00 1.07 0.00 0.00 42.92 44.23 2d90 s ASP 66 CO 0.45 -0.84 1.22 1.57 1.18 0.00 0.00 175.17 178.74 2d90 n HIS 67 N -1.47 0.07 0.18 4.23 -0.00 -1.26 -0.19 115.22 116.78 2d90 n HIS 67 Ca -0.05 0.96 -0.14 0.00 -0.00 0.00 0.00 57.72 58.50 2d90 n HIS 67 Cb 0.65 -0.82 -0.08 0.00 -0.00 0.00 0.00 29.99 29.74 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 -0.39 -0.59 0.26 3.32 -1.97 -1.85 116.42 115.20 2d90 h ASP 68 Ca 0.29 -0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.29 2d90 h ASP 68 Cb 0.49 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.03 2d90 h ASP 68 CO -0.78 -0.07 -0.47 1.23 -1.72 0.00 0.00 179.24 177.43 2d90 h GLY 69 N -0.73 -0.58 0.52 2.75 0.00 -0.94 0.42 103.07 104.50 2d90 h GLY 69 Ca -0.05 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 2d90 h GLY 69 CO 0.08 -0.14 -0.26 -2.08 0.00 0.00 0.00 176.54 174.14 2d90 h VAL 70 N -0.23 0.00 -0.82 4.60 2.07 -0.90 -2.38 116.25 118.59 2d90 h VAL 70 Ca 0.16 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.92 2d90 h VAL 70 Cb 0.56 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2d90 h VAL 70 CO -0.70 0.00 0.85 0.58 0.02 0.00 0.00 177.57 178.32 2d90 h VAL 71 N -0.70 0.20 0.21 2.57 2.07 -1.08 0.96 116.25 120.48 2d90 h VAL 71 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2d90 h VAL 71 Cb 0.54 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2d90 h VAL 71 CO 0.11 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.52 2d90 h GLU 72 N 0.00 -0.27 -0.90 1.57 4.81 0.32 -3.18 114.58 116.93 2d90 h GLU 72 Ca 0.39 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.88 2d90 h GLU 72 Cb 2.09 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 31.37 2d90 h GLU 72 CO -0.00 0.11 0.10 0.52 -0.73 0.00 0.00 179.01 179.00 2d90 h MET 73 N -0.76 0.09 -0.43 1.92 2.86 -0.37 0.36 114.93 118.59 2d90 h MET 73 Ca -0.03 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 2d90 h MET 73 Cb 0.51 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 2d90 h MET 73 CO 0.05 0.06 0.12 0.82 1.06 0.00 0.00 176.91 179.02 2d90 h ILE 74 N 0.09 0.82 0.00 -1.22 5.03 -1.56 0.72 117.51 121.39 2d90 h ILE 74 Ca 0.55 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 65.20 2d90 h ILE 74 Cb 1.11 0.52 0.00 0.00 -3.03 0.00 0.00 36.82 35.42 2d90 h ILE 74 CO -0.78 0.05 0.00 0.03 -0.68 0.00 0.00 178.15 176.77 2d90 h ARG 75 N 0.27 0.00 0.00 2.37 3.08 -0.33 -1.81 114.38 117.96 2d90 h ARG 75 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2d90 h ARG 75 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2d90 h ARG 75 CO -0.24 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.53 2d90 h LYS 76 N 0.00 0.00 0.00 0.04 1.79 0.44 -3.20 116.57 115.64 2d90 h LYS 76 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2d90 h LYS 76 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2d90 h LYS 76 CO 0.00 0.00 -0.47 0.78 -1.08 0.00 0.00 179.45 178.68 2d90 h GLY 77 N 3.83 0.00 0.00 3.86 0.00 -0.99 -3.49 103.07 106.28 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 0.05 1.01 0.12 4.60 0.00 -1.21 -4.46 105.19 105.30 2d90 n GLY 78 Ca -0.01 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 1.89 -4.47 1.61 8.00 -1.26 -4.88 116.55 117.44 2d90 n ASP 79 Ca 0.00 0.39 -0.25 0.00 0.71 0.00 0.00 54.79 55.64 2d90 n ASP 79 Cb 0.00 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 2d90 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d90 s GLN 80 N -2.41 1.69 -0.08 -1.24 -2.07 -1.26 0.25 119.66 114.55 2d90 s GLN 80 Ca -0.32 -1.65 -0.21 0.00 -1.82 0.00 0.00 55.36 51.37 2d90 s GLN 80 Cb 0.09 -1.84 0.05 0.00 -1.09 0.00 0.00 33.01 30.21 2d90 s GLN 80 CO 0.57 0.36 0.49 -0.08 -1.32 0.00 0.00 175.29 175.30 2d90 s THR 81 N -2.20 0.02 -0.21 3.63 -1.32 -0.65 -4.67 115.64 110.25 2d90 s THR 81 Ca 0.27 -0.18 -0.10 0.00 -1.21 0.00 0.00 61.69 60.47 2d90 s THR 81 Cb -0.06 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.12 2d90 s THR 81 CO 0.14 -0.10 0.12 -0.89 -2.21 0.00 0.00 174.62 171.68 2d90 s THR 82 N -0.78 5.26 0.12 5.08 2.01 -1.26 -2.63 115.64 123.43 2d90 s THR 82 Ca -0.09 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.13 2d90 s THR 82 Cb -0.03 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 2d90 s THR 82 CO 0.05 0.42 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 2d90 s LEU 83 N 0.54 3.06 -0.32 4.42 1.43 0.86 0.23 118.68 128.90 2d90 s LEU 83 Ca 0.07 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2d90 s LEU 83 Cb -0.12 -1.84 0.10 0.00 0.03 0.00 0.00 46.19 44.36 2d90 s LEU 83 CO -0.00 0.16 0.06 -0.22 0.23 0.00 0.00 176.35 176.59 2d90 s LEU 84 N -2.33 3.76 0.19 1.79 2.96 -0.95 -0.22 118.68 123.88 2d90 s LEU 84 Ca 0.22 -1.93 0.06 0.00 -0.22 0.00 0.00 54.13 52.27 2d90 s LEU 84 Cb -0.11 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 2d90 s LEU 84 CO 0.14 -0.39 0.08 0.68 -1.32 0.00 0.00 176.35 175.55 2d90 s VAL 85 N 1.18 4.11 -0.00 1.68 -7.23 -1.16 -2.06 120.40 116.92 2d90 s VAL 85 Ca 0.10 -1.32 -0.21 0.00 -1.81 0.00 0.00 61.98 58.74 2d90 s VAL 85 Cb -0.18 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 2d90 s VAL 85 CO -0.14 -0.16 0.61 -0.22 -0.31 0.00 0.00 175.10 174.88 2d90 s LEU 86 N -3.17 4.42 0.00 1.32 1.98 -0.51 -0.79 118.68 121.92 2d90 s LEU 86 Ca 0.30 1.18 0.00 0.00 -2.89 0.00 0.00 54.13 52.72 2d90 s LEU 86 Cb -0.09 -2.95 0.00 0.00 0.66 0.00 0.00 46.19 43.81 2d90 s LEU 86 CO 0.21 0.09 0.00 -0.90 -1.89 0.00 0.00 176.35 173.87 2d90 n ASP 87 N 2.75 0.00 -0.30 3.68 5.75 -1.26 -4.46 116.55 122.71 2d90 n ASP 87 Ca -0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.64 2d90 n ASP 87 Cb 0.51 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.53 2d90 n ASP 87 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2d90 n LYS 88 N -2.23 -0.31 -3.12 0.11 4.76 -1.26 -1.53 118.16 114.57 2d90 n LYS 88 Ca 0.00 1.09 -0.30 0.00 -2.87 0.00 0.00 58.31 56.23 2d90 n LYS 88 Cb 0.00 -1.61 -0.05 0.00 -1.84 0.00 0.00 35.03 31.54 2d90 n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2d90 n GLU 89 N -4.91 3.30 -0.01 1.97 -0.58 -1.26 -4.82 120.64 114.33 2d90 n GLU 89 Ca 0.02 -4.73 -0.19 0.00 -0.42 0.00 0.00 57.16 51.83 2d90 n GLU 89 Cb 0.19 -2.30 -0.14 0.00 -0.57 0.00 0.00 31.44 28.63 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 3.88 0.04 -3.00 0.62 0.00 -1.50 -3.42 119.26 115.89 2d90 h ALA 90 Ca 0.21 -0.80 -0.74 0.00 0.00 0.00 0.00 54.91 53.58 2d90 h ALA 90 Cb 0.56 0.24 -0.31 0.00 0.00 0.00 0.00 17.79 18.28 2d90 h ALA 90 CO 0.92 0.43 -0.18 -1.83 0.00 0.00 0.00 179.25 178.59 2d90 s GLU 91 N -2.38 2.98 -0.73 0.00 -1.05 -1.26 -5.01 118.70 111.25 2d90 s GLU 91 Ca -0.18 -2.47 -0.10 0.00 -0.15 0.00 0.00 54.97 52.06 2d90 s GLU 91 Cb 0.01 -4.02 0.19 0.00 -0.44 0.00 0.00 34.13 29.87 2d90 s GLU 91 CO 0.75 -1.22 0.63 0.45 0.95 0.00 0.00 175.26 176.82 2d90 s SER 92 N 1.37 6.21 0.09 0.83 0.15 -1.26 -5.06 113.70 116.03 2d90 s SER 92 Ca 0.17 -2.66 0.01 0.00 0.70 0.00 0.00 55.95 54.17 2d90 s SER 92 Cb -0.17 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2d90 s SER 92 CO -0.05 -0.53 0.20 0.27 1.20 0.00 0.00 173.24 174.33 2d90 s ILE 93 N 0.22 5.21 -0.28 6.45 -5.25 -1.26 -5.10 121.20 121.19 2d90 s ILE 93 Ca 0.16 -0.54 -0.01 0.00 -0.99 0.00 0.00 60.65 59.27 2d90 s ILE 93 Cb -0.15 -3.57 0.17 0.00 2.95 0.00 0.00 42.46 41.86 2d90 s ILE 93 CO -0.06 0.08 0.52 -0.31 -1.79 0.00 0.00 174.94 173.38 2d90 s TYR 94 N -1.55 -1.37 0.05 1.37 2.02 -1.26 -5.16 117.35 111.45 2d90 s TYR 94 Ca 0.34 1.34 -0.28 0.00 -0.37 0.00 0.00 57.07 58.10 2d90 s TYR 94 Cb -0.12 0.35 0.09 0.00 -0.40 0.00 0.00 41.96 41.88 2d90 s TYR 94 CO 0.27 -0.85 0.99 0.45 -1.57 0.00 0.00 175.55 174.84 2d90 s SER 95 N 2.75 -0.23 -0.20 2.29 0.15 -1.26 -5.18 113.70 112.02 2d90 s SER 95 Ca 0.17 -0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 2d90 s SER 95 Cb -0.15 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.61 2d90 s SER 95 CO -0.20 -0.68 0.52 -0.22 1.20 0.00 0.00 173.24 173.86 2d90 s LEU 96 N -2.72 -0.20 0.30 3.45 2.96 -1.26 -5.17 118.68 116.03 2d90 s LEU 96 Ca 0.10 1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 2d90 s LEU 96 Cb -0.00 1.78 -0.01 0.00 0.50 0.00 0.00 46.19 48.45 2d90 s LEU 96 CO -0.03 -0.20 0.37 -0.94 -1.32 0.00 0.00 176.35 174.24 2d90 s SER 97 N 0.82 0.73 0.13 3.68 1.04 -1.26 -5.18 113.70 113.67 2d90 s SER 97 Ca -0.04 -1.42 0.09 0.00 0.48 0.00 0.00 55.95 55.05 2d90 s SER 97 Cb -0.05 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2d90 s SER 97 CO -0.07 -1.14 -0.16 -0.83 0.98 0.00 0.00 173.24 172.03 2d90 s GLY 98 N -3.21 1.72 -0.17 7.32 0.00 -1.26 -5.09 107.32 106.63 2d90 s GLY 98 Ca 0.33 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 2d90 s GLY 98 CO 0.18 -1.35 1.58 2.56 0.00 0.00 0.00 173.10 176.07 2d90 s PRO 99 N -2.27 3.95 -0.58 2.90 0.04 -1.26 -4.97 135.00 132.80 2d90 s PRO 99 Ca 0.20 1.79 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 2d90 s PRO 99 Cb -0.10 -3.99 0.10 0.00 0.04 0.00 0.00 34.50 30.55 2d90 s PRO 99 CO 0.11 -1.10 0.69 0.45 0.04 0.00 0.00 177.00 177.19 2d90 s SER 100 N 3.70 6.18 0.15 6.66 0.15 -1.26 -5.04 113.70 124.24 2d90 s SER 100 Ca 0.70 -1.42 0.04 0.00 0.70 0.00 0.00 55.95 55.96 2d90 s SER 100 Cb -0.26 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2d90 s SER 100 CO 0.27 -1.09 0.20 -0.94 1.20 0.00 0.00 173.24 172.89 2d90 s SER 101 N 3.57 5.92 0.00 5.45 1.04 -1.26 -5.36 113.70 123.06 2d90 s SER 101 Ca 0.11 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2d90 s SER 101 Cb -0.24 -1.68 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2d90 s SER 101 CO 0.06 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.97