#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 0.09 -0.28 1.61 0.15 -1.26 -5.12 113.70 108.88 2d90 s SER 2 Ca 0.00 0.53 -0.29 0.00 0.70 0.00 0.00 55.95 56.89 2d90 s SER 2 Cb 0.00 1.16 -0.00 0.00 -1.71 0.00 0.00 66.02 65.46 2d90 s SER 2 CO 0.00 -0.27 1.31 -0.44 1.20 0.00 0.00 173.24 175.04 2d90 s SER 3 N 2.56 6.69 0.21 5.45 0.01 -1.26 -4.73 113.70 122.62 2d90 s SER 3 Ca 0.06 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2d90 s SER 3 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2d90 s SER 3 CO -0.14 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.07 2d90 n GLY 4 N 4.24 -0.41 3.88 3.44 0.00 -1.26 -5.12 105.19 109.97 2d90 n GLY 4 Ca 0.15 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.49 6.46 -0.10 1.61 0.01 -1.26 -5.02 113.70 110.91 2d90 s SER 5 Ca 0.00 1.06 -0.30 0.00 1.31 0.00 0.00 55.95 58.03 2d90 s SER 5 Cb 0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2d90 s SER 5 CO 0.00 -0.43 1.41 -0.94 0.41 0.00 0.00 173.24 173.69 2d90 s SER 6 N -3.36 6.84 0.00 2.44 1.04 -1.26 -4.79 113.70 114.62 2d90 s SER 6 Ca 0.50 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.87 2d90 s SER 6 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2d90 s SER 6 CO 0.34 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2d90 n GLY 7 N 3.78 3.40 3.78 7.32 0.00 -1.26 -4.96 105.19 117.25 2d90 n GLY 7 Ca 0.15 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.67 4.61 -0.18 1.61 1.70 -0.04 -4.87 118.95 117.12 2d90 s ARG 8 Ca 0.00 1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 56.42 2d90 s ARG 8 Cb 0.00 -2.96 -0.04 0.00 -0.57 0.00 0.00 34.95 31.37 2d90 s ARG 8 CO 0.00 0.37 0.33 0.08 -1.08 0.00 0.00 175.30 175.00 2d90 s VAL 9 N -1.46 5.27 0.14 4.99 1.01 -1.26 -2.55 120.40 126.54 2d90 s VAL 9 Ca 0.46 0.60 0.10 0.00 0.00 0.00 0.00 61.98 63.15 2d90 s VAL 9 Cb -0.21 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2d90 s VAL 9 CO 0.26 0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.78 2d90 s VAL 10 N 0.78 2.50 -0.06 2.92 1.01 0.55 -4.96 120.40 123.13 2d90 s VAL 10 Ca 0.17 -1.74 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 2d90 s VAL 10 Cb -0.14 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.14 2d90 s VAL 10 CO 0.06 0.03 0.12 -0.69 0.00 0.00 0.00 175.10 174.62 2d90 s VAL 11 N -1.26 -0.17 0.13 2.92 1.01 -1.26 -0.02 120.40 121.76 2d90 s VAL 11 Ca 0.17 0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.59 2d90 s VAL 11 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2d90 s VAL 11 CO 0.09 0.14 -0.23 -0.63 0.00 0.00 0.00 175.10 174.47 2d90 s ILE 12 N 1.98 1.99 -0.24 2.22 1.01 -0.86 -4.63 121.20 122.66 2d90 s ILE 12 Ca 0.01 -1.74 -0.01 0.00 0.00 0.00 0.00 60.65 58.91 2d90 s ILE 12 Cb -0.12 -1.82 0.07 0.00 0.01 0.00 0.00 42.46 40.60 2d90 s ILE 12 CO -0.05 -0.07 0.01 -0.54 0.00 0.00 0.00 174.94 174.30 2d90 s LYS 13 N -2.21 1.08 -0.12 2.79 1.02 -1.26 -1.67 119.74 119.38 2d90 s LYS 13 Ca 0.12 -0.85 -0.32 0.00 0.02 0.00 0.00 55.97 54.93 2d90 s LYS 13 Cb -0.09 -2.33 -0.15 0.00 -0.52 0.00 0.00 37.83 34.74 2d90 s LYS 13 CO 0.06 -0.71 0.95 1.17 -0.92 0.00 0.00 175.35 175.89 2d90 n LYS 14 N 4.82 0.00 0.01 1.68 4.81 -0.47 -4.84 118.16 124.17 2d90 n LYS 14 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2d90 n LYS 14 Cb 0.45 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 1.75 -0.02 2.71 3.14 0.00 -1.08 -4.93 105.19 106.76 2d90 n GLY 15 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.83 4.74 -4.16 1.61 7.64 -1.26 -4.81 113.62 114.53 2d90 n SER 16 Ca 0.00 -3.40 -0.34 0.00 1.01 0.00 0.00 58.87 56.14 2d90 n SER 16 Cb 0.24 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 2d90 n SER 16 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2d90 n ASN 17 N 1.19 -2.60 0.00 6.43 5.15 -1.26 -4.78 115.26 119.39 2d90 n ASN 17 Ca 0.27 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 2d90 n ASN 17 Cb 0.38 -2.82 0.00 0.00 -0.53 0.00 0.00 39.78 36.81 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2d90 n GLY 18 N -1.57 -1.68 0.51 8.20 0.00 -1.26 -5.05 105.19 104.34 2d90 n GLY 18 Ca -0.02 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 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 6.87 0.00 0.00 1.61 4.02 -1.26 -2.62 117.16 125.78 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 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 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 2.27 1.50 3.16 2.72 0.00 -1.26 -1.00 105.19 112.58 2d90 n GLY 20 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.50 -0.38 0.45 1.61 -0.71 -1.26 -2.30 117.98 113.89 2d90 s PHE 21 Ca 0.00 0.90 0.08 0.00 -1.04 0.00 0.00 56.93 56.87 2d90 s PHE 21 Cb 0.00 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 2d90 s PHE 21 CO 0.00 -0.22 0.57 0.71 -1.34 0.00 0.00 175.22 174.94 2d90 s TYR 22 N 0.75 2.56 -0.03 3.49 1.51 -0.67 -4.95 117.35 120.00 2d90 s TYR 22 Ca -0.05 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.50 2d90 s TYR 22 Cb -0.06 -2.31 0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2d90 s TYR 22 CO -0.05 -0.49 0.10 -0.51 -1.11 0.00 0.00 175.55 173.50 2d90 s LEU 23 N -4.36 1.62 0.12 -1.29 1.43 -1.25 -3.32 118.68 111.61 2d90 s LEU 23 Ca 0.55 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2d90 s LEU 23 Cb -0.08 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.49 2d90 s LEU 23 CO 0.33 -0.09 0.03 -0.60 0.23 0.00 0.00 176.35 176.25 2d90 s ARG 24 N -0.21 0.87 -0.70 1.70 3.52 -0.90 -4.95 118.95 118.29 2d90 s ARG 24 Ca -0.03 -1.40 -0.26 0.00 -0.13 0.00 0.00 55.73 53.91 2d90 s ARG 24 Cb -0.02 0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.60 2d90 s ARG 24 CO 0.00 -0.22 1.19 0.00 -0.81 0.00 0.00 175.30 175.47 2d90 s ALA 25 N -3.99 2.86 0.96 6.12 0.00 -1.26 -2.67 121.76 123.79 2d90 s ALA 25 Ca 0.20 -1.42 -0.16 0.00 0.00 0.00 0.00 51.96 50.58 2d90 s ALA 25 Cb 0.07 -4.13 0.19 0.00 0.00 0.00 0.00 23.12 19.25 2d90 s ALA 25 CO -0.01 -3.09 1.29 0.20 0.00 0.00 0.00 175.76 174.15 2d90 s GLY 26 N 3.63 1.74 0.00 0.00 0.00 -1.26 -5.00 107.32 106.43 2d90 s GLY 26 Ca 0.33 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2d90 s GLY 26 CO 0.15 -0.36 0.00 -1.55 0.00 0.00 0.00 173.10 171.34 2d90 n PRO 27 N -3.80 0.15 -0.50 2.90 -0.04 -1.26 -4.72 135.00 127.72 2d90 n PRO 27 Ca 0.14 0.00 0.41 0.00 -0.04 0.00 0.00 63.50 64.01 2d90 n PRO 27 Cb 0.60 0.00 0.63 0.00 -0.04 0.00 0.00 33.50 34.68 2d90 n PRO 27 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2d90 n GLU 28 N -0.63 0.00 -1.54 0.54 1.02 -1.26 -4.15 120.64 114.62 2d90 n GLU 28 Ca 0.00 0.94 -0.19 0.00 -0.02 0.00 0.00 57.16 57.89 2d90 n GLU 28 Cb 0.00 -2.21 -0.12 0.00 -0.02 0.00 0.00 31.44 29.09 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2d90 n GLN 29 N -3.49 0.41 -1.70 3.49 1.13 -1.26 -4.80 117.38 111.15 2d90 n GLN 29 Ca 0.34 -0.48 -0.60 0.00 -1.94 0.00 0.00 57.00 54.32 2d90 n GLN 29 Cb 1.66 -2.76 -0.08 0.00 0.11 0.00 0.00 30.24 29.18 2d90 n GLN 29 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2d90 n LYS 30 N 7.82 0.82 0.00 -1.09 4.76 -1.26 -4.70 118.16 124.51 2d90 n LYS 30 Ca 0.53 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 2d90 n LYS 30 Cb 0.33 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 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 3.90 1.71 3.66 0.72 0.00 -1.25 -4.61 105.19 109.32 2d90 n GLY 31 Ca 0.27 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.43 2.75 0.03 1.61 -1.52 -0.56 -4.15 119.66 116.38 2d90 s GLN 32 Ca 0.00 -0.62 -0.15 0.00 -1.95 0.00 0.00 55.36 52.64 2d90 s GLN 32 Cb 0.00 -2.64 -0.06 0.00 -0.22 0.00 0.00 33.01 30.09 2d90 s GLN 32 CO 0.00 0.63 0.44 0.42 -0.25 0.00 0.00 175.29 176.53 2d90 s ILE 33 N -1.05 4.97 0.06 1.08 1.01 -1.09 -0.44 121.20 125.74 2d90 s ILE 33 Ca 0.18 0.88 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 2d90 s ILE 33 Cb -0.11 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2d90 s ILE 33 CO 0.09 0.53 0.29 -0.63 0.00 0.00 0.00 174.94 175.22 2d90 s ILE 34 N -1.13 5.27 0.21 2.92 1.01 0.31 -2.12 121.20 127.68 2d90 s ILE 34 Ca 0.26 0.03 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 2d90 s ILE 34 Cb -0.17 -3.60 0.07 0.00 0.01 0.00 0.00 42.46 38.77 2d90 s ILE 34 CO 0.15 0.23 0.96 -1.59 0.00 0.00 0.00 174.94 174.69 2d90 s LYS 35 N -2.16 1.44 -1.43 2.79 0.00 -1.21 -0.40 119.74 118.77 2d90 s LYS 35 Ca 0.33 -0.89 -0.07 0.00 0.00 0.00 0.00 55.97 55.34 2d90 s LYS 35 Cb -0.13 0.43 0.05 0.00 0.00 0.00 0.00 37.83 38.18 2d90 s LYS 35 CO 0.21 -0.67 0.83 -0.25 0.00 0.00 0.00 175.35 175.47 2d90 n ASP 36 N -0.99 -3.03 -4.68 0.03 8.00 -1.26 -1.66 116.55 112.96 2d90 n ASP 36 Ca -0.05 -0.81 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 2d90 n ASP 36 Cb 0.60 -3.91 -0.03 0.00 -0.02 0.00 0.00 41.12 37.77 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 -3.49 3.92 0.32 0.53 1.01 -1.26 -4.52 121.20 117.71 2d90 s ILE 37 Ca 0.35 1.24 -0.27 0.00 0.00 0.00 0.00 60.65 61.97 2d90 s ILE 37 Cb -0.18 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 2d90 s ILE 37 CO 0.83 -0.04 0.99 -1.61 0.00 0.00 0.00 174.94 175.11 2d90 s GLU 38 N 2.78 4.55 0.69 2.79 0.41 -0.97 -5.03 118.70 123.92 2d90 s GLU 38 Ca 0.61 1.48 -0.14 0.00 -0.41 0.00 0.00 54.97 56.52 2d90 s GLU 38 Cb -0.28 -2.90 0.01 0.00 -1.78 0.00 0.00 34.13 29.18 2d90 s GLU 38 CO 0.23 0.22 1.11 -1.25 -0.49 0.00 0.00 175.26 175.08 2d90 s PRO 39 N -1.89 2.65 0.00 0.39 0.04 -1.26 -3.25 135.00 131.69 2d90 s PRO 39 Ca 0.49 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2d90 s PRO 39 Cb -0.23 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2d90 s PRO 39 CO 0.29 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2d90 n GLY 40 N -0.69 -0.31 3.94 0.56 0.00 -1.26 -4.85 105.19 102.57 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 -1.52 6.36 0.60 1.61 1.04 -1.20 -4.88 113.70 115.71 2d90 s SER 41 Ca 0.00 0.30 0.29 0.00 0.48 0.00 0.00 55.95 57.01 2d90 s SER 41 Cb 0.00 -1.96 1.30 0.00 0.10 0.00 0.00 66.02 65.46 2d90 s SER 41 CO 0.00 -0.02 1.69 -0.65 0.98 0.00 0.00 173.24 175.25 2d90 h PRO 42 N 1.97 0.00 0.13 4.02 0.11 -1.84 0.22 132.00 136.60 2d90 h PRO 42 Ca -0.48 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 2d90 h PRO 42 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2d90 h PRO 42 CO 0.68 0.00 -0.81 0.00 -0.21 0.00 0.00 178.00 177.65 2d90 h ALA 43 N 1.14 -0.07 -0.29 -0.75 0.00 -1.33 -2.43 119.26 115.53 2d90 h ALA 43 Ca 0.32 -0.72 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2d90 h ALA 43 Cb 1.80 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 2d90 h ALA 43 CO -0.00 0.39 -0.27 1.49 0.00 0.00 0.00 179.25 180.85 2d90 h GLU 44 N -0.41 0.70 0.00 0.00 4.22 -0.90 -2.97 114.58 115.22 2d90 h GLU 44 Ca -0.15 -0.36 -0.08 0.00 0.08 0.00 0.00 59.36 58.85 2d90 h GLU 44 Cb 1.61 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2d90 h GLU 44 CO 0.14 0.97 -0.38 0.00 -2.18 0.00 0.00 179.01 177.56 2d90 h ALA 45 N 0.71 1.13 0.00 2.92 0.00 -0.87 -2.81 119.26 120.34 2d90 h ALA 45 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2d90 h ALA 45 Cb 0.84 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2d90 h ALA 45 CO 0.07 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 2d90 h ALA 46 N 1.62 1.66 0.00 0.00 0.00 -1.31 -3.46 119.26 117.77 2d90 h ALA 46 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2d90 h ALA 46 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2d90 h ALA 46 CO 0.05 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2d90 n GLY 47 N -1.19 1.22 1.62 0.00 0.00 -1.06 -4.50 105.19 101.29 2d90 n GLY 47 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.62 0.99 4.77 -1.13 -5.06 117.00 112.96 2d90 n LEU 48 Ca 0.00 -0.46 -0.12 0.00 -0.03 0.00 0.00 56.01 55.41 2d90 n LEU 48 Cb 0.00 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 2d90 n LEU 48 CO 0.00 -2.15 0.62 -0.54 -1.33 0.00 0.00 177.39 173.99 2d90 s LYS 49 N -4.07 0.67 0.97 3.23 1.02 -1.26 -4.94 119.74 115.35 2d90 s LYS 49 Ca 0.34 0.62 -0.11 0.00 0.02 0.00 0.00 55.97 56.84 2d90 s LYS 49 Cb -0.06 0.33 0.15 0.00 -0.52 0.00 0.00 37.83 37.72 2d90 s LYS 49 CO 0.28 -0.12 0.96 0.09 -0.92 0.00 0.00 175.35 175.65 2d90 n ASN 50 N 2.02 -0.45 -2.66 2.83 4.13 -1.26 -2.73 115.26 117.14 2d90 n ASN 50 Ca -0.13 0.31 -0.15 0.00 1.68 0.00 0.00 54.58 56.29 2d90 n ASN 50 Cb 0.56 -1.39 -0.00 0.00 -1.54 0.00 0.00 39.78 37.41 2d90 n ASN 50 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2d90 n ASN 51 N -3.75 -3.98 -4.69 6.41 0.23 0.47 -4.90 115.26 105.05 2d90 n ASN 51 Ca 0.10 0.05 -0.39 0.00 -0.53 0.00 0.00 54.58 53.80 2d90 n ASN 51 Cb 0.53 -3.35 -0.05 0.00 -2.08 0.00 0.00 39.78 34.82 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 -2.21 6.78 -0.37 0.53 1.11 -1.10 -4.74 116.67 116.67 2d90 s ASP 52 Ca 0.10 0.94 -0.16 0.00 0.18 0.00 0.00 52.55 53.61 2d90 s ASP 52 Cb -0.05 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 41.59 2d90 s ASP 52 CO 0.12 -0.16 0.40 -0.22 1.18 0.00 0.00 175.17 176.49 2d90 s LEU 53 N 1.26 4.60 -0.23 1.23 1.98 -1.25 -0.53 118.68 125.74 2d90 s LEU 53 Ca 0.31 -0.39 -0.16 0.00 -2.89 0.00 0.00 54.13 51.00 2d90 s LEU 53 Cb -0.16 -2.37 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 2d90 s LEU 53 CO 0.13 -0.44 0.40 -0.69 -1.89 0.00 0.00 176.35 173.86 2d90 s VAL 54 N 2.09 5.17 -0.07 1.68 1.01 0.41 -2.19 120.40 128.50 2d90 s VAL 54 Ca 0.12 0.68 0.20 0.00 0.00 0.00 0.00 61.98 62.98 2d90 s VAL 54 Cb -0.17 -3.73 -0.30 0.00 0.00 0.00 0.00 36.38 32.18 2d90 s VAL 54 CO 0.12 0.20 0.35 1.33 0.00 0.00 0.00 175.10 177.10 2d90 n VAL 55 N 4.73 0.36 -4.00 2.92 0.24 -0.72 -1.50 118.33 120.35 2d90 n VAL 55 Ca -0.08 -0.57 -0.09 0.00 -2.04 0.00 0.00 64.34 61.57 2d90 n VAL 55 Cb 0.51 -0.11 -0.11 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.19 0.18 -0.16 2.33 0.00 -1.24 -1.20 121.76 118.49 2d90 s ALA 56 Ca -0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2d90 s ALA 56 Cb 0.11 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.47 2d90 s ALA 56 CO 0.85 -0.21 0.06 0.08 0.00 0.00 0.00 175.76 176.54 2d90 s VAL 57 N -2.02 0.13 -0.97 0.00 1.01 -0.56 -1.87 120.40 116.12 2d90 s VAL 57 Ca -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2d90 s VAL 57 Cb -0.06 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.65 2d90 s VAL 57 CO -0.03 -0.18 0.29 0.59 0.00 0.00 0.00 175.10 175.77 2d90 n ASN 58 N 5.20 -4.25 -1.70 3.32 3.02 0.25 -3.23 115.26 117.87 2d90 n ASN 58 Ca -0.07 -0.14 -0.07 0.00 -0.03 0.00 0.00 54.58 54.27 2d90 n ASN 58 Cb 0.49 -3.20 0.03 0.00 -0.61 0.00 0.00 39.78 36.49 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 -1.17 0.31 3.30 7.41 0.00 -1.26 -4.99 105.19 108.78 2d90 n GLY 59 Ca -0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.01 0.35 -0.35 1.61 1.02 -1.20 -5.11 119.74 111.06 2d90 s LYS 60 Ca 0.11 1.05 -0.32 0.00 0.02 0.00 0.00 55.97 56.83 2d90 s LYS 60 Cb -0.05 0.34 -0.09 0.00 -0.52 0.00 0.00 37.83 37.51 2d90 s LYS 60 CO 0.25 -0.24 2.25 0.43 -0.92 0.00 0.00 175.35 177.12 2d90 n SER 61 N 5.29 2.42 -0.04 2.83 7.64 -1.26 -1.50 113.62 129.00 2d90 n SER 61 Ca -0.10 0.23 0.02 0.00 1.01 0.00 0.00 58.87 60.03 2d90 n SER 61 Cb 0.50 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.20 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 7.48 0.45 -0.16 0.44 0.24 -0.36 -4.44 118.33 121.98 2d90 n VAL 62 Ca 0.38 -0.49 0.28 0.00 -2.04 0.00 0.00 64.34 62.48 2d90 n VAL 62 Cb 0.32 -0.18 0.61 0.00 -1.47 0.00 0.00 33.84 33.12 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 0.05 7.34 4.11 -1.37 1.14 114.58 125.84 2d90 h GLU 63 Ca -0.18 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.00 2d90 h GLU 63 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 2d90 h GLU 63 CO 0.01 0.00 -1.06 0.00 0.07 0.00 0.00 179.01 178.03 2d90 h ALA 64 N 0.99 0.24 -2.35 1.06 0.00 -1.85 -3.32 119.26 114.03 2d90 h ALA 64 Ca 0.44 -0.75 -0.45 0.00 0.00 0.00 0.00 54.91 54.14 2d90 h ALA 64 Cb 2.31 0.01 0.16 0.00 0.00 0.00 0.00 17.79 20.27 2d90 h ALA 64 CO -0.00 0.82 0.19 -0.51 0.00 0.00 0.00 179.25 179.74 2d90 s LEU 65 N -7.66 1.57 0.00 0.00 1.43 0.39 -5.07 118.68 109.34 2d90 s LEU 65 Ca -0.06 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.28 2d90 s LEU 65 Cb 0.08 -3.37 0.09 0.00 0.03 0.00 0.00 46.19 43.02 2d90 s LEU 65 CO 0.88 -3.18 0.72 0.47 0.23 0.00 0.00 176.35 175.48 2d90 n ASP 66 N -4.21 1.50 -0.28 2.29 9.92 -1.26 -4.74 116.55 119.77 2d90 n ASP 66 Ca 0.05 -2.14 -0.00 0.00 -0.53 0.00 0.00 54.79 52.17 2d90 n ASP 66 Cb 0.57 -0.42 0.06 0.00 -0.64 0.00 0.00 41.12 40.69 2d90 n ASP 66 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2d90 h HIS 67 N -0.17 -0.69 0.80 1.24 -0.00 -1.96 -0.14 115.15 114.23 2d90 h HIS 67 Ca -0.24 0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.17 2d90 h HIS 67 Cb 1.02 0.42 0.01 0.00 -0.00 0.00 0.00 27.41 28.86 2d90 h HIS 67 CO 0.00 -0.37 -0.39 -0.44 -0.00 0.00 0.00 177.93 176.73 2d90 h ASP 68 N -0.05 -0.91 -0.87 3.26 3.32 -1.98 -1.89 116.42 117.30 2d90 h ASP 68 Ca 0.34 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.50 2d90 h ASP 68 Cb 0.58 0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.25 2d90 h ASP 68 CO -0.82 -0.57 -0.55 1.23 -1.72 0.00 0.00 179.24 176.81 2d90 h GLY 69 N -1.24 -0.74 0.01 2.75 0.00 -1.70 0.51 103.07 102.65 2d90 h GLY 69 Ca -0.11 0.74 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 2d90 h GLY 69 CO 0.18 -0.02 -0.01 -2.08 0.00 0.00 0.00 176.54 174.61 2d90 h VAL 70 N -0.08 0.00 -1.62 4.60 2.07 -1.10 -2.27 116.25 117.85 2d90 h VAL 70 Ca 0.17 0.00 0.48 0.00 0.82 0.00 0.00 66.70 68.17 2d90 h VAL 70 Cb 0.47 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 2d90 h VAL 70 CO -0.87 0.00 1.14 0.58 0.02 0.00 0.00 177.57 178.44 2d90 h VAL 71 N -0.02 0.14 -0.11 2.57 2.07 -1.06 0.59 116.25 120.43 2d90 h VAL 71 Ca -0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2d90 h VAL 71 Cb 0.01 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2d90 h VAL 71 CO 0.00 0.01 0.02 -0.08 0.02 0.00 0.00 177.57 177.54 2d90 h GLU 72 N 0.03 0.18 -0.69 1.57 4.57 0.50 -2.97 114.58 117.77 2d90 h GLU 72 Ca 0.82 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 59.09 2d90 h GLU 72 Cb 3.09 -0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 31.53 2d90 h GLU 72 CO -0.12 0.36 -0.21 0.52 -1.18 0.00 0.00 179.01 178.38 2d90 h MET 73 N -0.03 -0.03 -0.54 1.92 2.86 0.75 0.13 114.93 119.99 2d90 h MET 73 Ca 0.03 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.74 2d90 h MET 73 Cb 0.26 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2d90 h MET 73 CO 0.00 -0.02 0.25 0.82 1.06 0.00 0.00 176.91 179.02 2d90 h ILE 74 N -0.03 0.90 0.33 -1.22 5.03 -1.52 0.13 117.51 121.13 2d90 h ILE 74 Ca 0.32 -0.16 -0.01 0.00 -0.12 0.00 0.00 64.86 64.89 2d90 h ILE 74 Cb 0.53 0.39 -0.01 0.00 -3.03 0.00 0.00 36.82 34.70 2d90 h ILE 74 CO -0.73 0.09 -0.23 0.03 -0.68 0.00 0.00 178.15 176.63 2d90 h ARG 75 N 0.47 -0.54 0.00 2.37 -0.00 -0.67 -1.57 114.38 114.45 2d90 h ARG 75 Ca 0.25 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.76 2d90 h ARG 75 Cb 0.21 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.30 2d90 h ARG 75 CO -0.20 -0.36 0.00 1.57 0.00 0.00 0.00 179.97 180.98 2d90 h LYS 76 N -0.56 0.00 -0.07 0.04 2.10 -0.79 -2.59 116.57 114.71 2d90 h LYS 76 Ca -0.03 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2d90 h LYS 76 Cb 0.48 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2d90 h LYS 76 CO 0.01 0.00 0.05 0.78 -2.00 0.00 0.00 179.45 178.29 2d90 h GLY 77 N 1.08 0.00 0.00 0.07 0.00 0.32 -3.48 103.07 101.06 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 -1.55 0.63 0.10 4.60 0.00 -0.98 -4.59 105.19 103.41 2d90 n GLY 78 Ca -0.01 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 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 1.86 -4.71 1.61 9.92 -1.26 -4.92 116.55 119.05 2d90 n ASP 79 Ca 0.00 0.44 -0.29 0.00 -0.53 0.00 0.00 54.79 54.42 2d90 n ASP 79 Cb 0.00 -0.94 -0.07 0.00 -0.64 0.00 0.00 41.12 39.46 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 -2.36 2.62 0.05 -1.24 -2.07 -1.26 -1.37 119.66 114.04 2d90 s GLN 80 Ca -0.28 -0.89 -0.12 0.00 -1.82 0.00 0.00 55.36 52.25 2d90 s GLN 80 Cb 0.06 -2.54 0.01 0.00 -1.09 0.00 0.00 33.01 29.45 2d90 s GLN 80 CO 0.53 0.51 0.27 -0.08 -1.32 0.00 0.00 175.29 175.21 2d90 s THR 81 N -1.50 0.10 -0.14 3.63 -1.32 -0.67 -4.86 115.64 110.88 2d90 s THR 81 Ca 0.28 -0.79 -0.02 0.00 -1.21 0.00 0.00 61.69 59.94 2d90 s THR 81 Cb -0.11 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 2d90 s THR 81 CO 0.20 -0.44 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.21 2d90 s THR 82 N -2.79 3.55 0.16 5.08 2.01 -1.26 -2.02 115.64 120.36 2d90 s THR 82 Ca -0.03 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.56 2d90 s THR 82 Cb -0.00 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 2d90 s THR 82 CO -0.05 0.51 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.57 2d90 s LEU 83 N 0.33 3.13 -0.32 4.42 1.43 0.97 0.87 118.68 129.52 2d90 s LEU 83 Ca -0.07 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2d90 s LEU 83 Cb -0.15 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.34 2d90 s LEU 83 CO 0.04 0.12 0.10 -0.22 0.23 0.00 0.00 176.35 176.62 2d90 s LEU 84 N -2.72 2.46 0.12 1.79 2.96 -0.78 -0.33 118.68 122.17 2d90 s LEU 84 Ca 0.25 -1.72 0.05 0.00 -0.22 0.00 0.00 54.13 52.48 2d90 s LEU 84 Cb -0.10 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 2d90 s LEU 84 CO 0.16 -0.41 0.08 0.68 -1.32 0.00 0.00 176.35 175.54 2d90 s VAL 85 N 1.51 4.33 0.06 1.68 -7.23 -1.06 -1.75 120.40 117.94 2d90 s VAL 85 Ca 0.10 -1.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2d90 s VAL 85 Cb -0.18 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.59 2d90 s VAL 85 CO -0.23 0.01 0.21 -0.76 -0.31 0.00 0.00 175.10 174.02 2d90 s LEU 86 N -2.71 4.35 -0.11 1.32 2.01 -0.93 -0.86 118.68 121.76 2d90 s LEU 86 Ca 0.29 0.26 -0.09 0.00 0.01 0.00 0.00 54.13 54.60 2d90 s LEU 86 Cb -0.11 -2.95 -0.03 0.00 0.01 0.00 0.00 46.19 43.11 2d90 s LEU 86 CO 0.21 0.17 -0.18 0.47 1.01 0.00 0.00 176.35 178.03 2d90 n ASP 87 N 0.28 1.24 -0.22 2.29 9.92 -1.26 -4.00 116.55 124.80 2d90 n ASP 87 Ca -0.05 0.34 -0.02 0.00 -0.53 0.00 0.00 54.79 54.53 2d90 n ASP 87 Cb 0.51 -0.70 0.09 0.00 -0.64 0.00 0.00 41.12 40.38 2d90 n ASP 87 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2d90 h LYS 88 N -0.66 0.66 -1.35 -1.24 1.63 -2.01 -1.54 116.57 112.07 2d90 h LYS 88 Ca 0.00 -0.04 -0.32 0.00 -0.85 0.00 0.00 60.65 59.44 2d90 h LYS 88 Cb 0.52 -0.15 -0.15 0.00 -0.60 0.00 0.00 32.23 31.86 2d90 h LYS 88 CO 0.00 0.43 0.41 0.39 -3.45 0.00 0.00 179.45 177.23 2d90 n GLU 89 N -4.79 1.78 -0.14 1.90 -0.58 -1.26 -4.16 120.64 113.40 2d90 n GLU 89 Ca 0.07 -1.61 -0.28 0.00 -0.42 0.00 0.00 57.16 54.92 2d90 n GLU 89 Cb 0.15 -1.63 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 2d90 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d90 n ALA 90 N 0.10 1.25 -1.48 0.62 0.00 -0.58 -4.83 120.51 115.60 2d90 n ALA 90 Ca 0.31 -1.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 2d90 n ALA 90 Cb 0.74 0.11 0.02 0.00 0.00 0.00 0.00 19.45 20.32 2d90 n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d90 n GLU 91 N -4.11 0.64 -4.83 0.00 1.02 -1.26 -4.83 120.64 107.27 2d90 n GLU 91 Ca -0.53 0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 56.54 2d90 n GLU 91 Cb 0.90 -1.65 -0.17 0.00 -0.02 0.00 0.00 31.44 30.50 2d90 n GLU 91 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2d90 s SER 92 N -1.02 2.84 0.45 1.62 0.15 -1.26 -5.11 113.70 111.37 2d90 s SER 92 Ca 0.66 -0.52 -0.21 0.00 0.70 0.00 0.00 55.95 56.57 2d90 s SER 92 Cb -0.53 -1.30 -0.12 0.00 -1.71 0.00 0.00 66.02 62.36 2d90 s SER 92 CO 0.56 0.09 0.50 2.30 1.20 0.00 0.00 173.24 177.89 2d90 n ILE 93 N 3.86 1.72 -2.14 6.45 -6.64 -1.26 -4.87 119.36 116.48 2d90 n ILE 93 Ca -0.20 -0.50 -0.41 0.00 -1.77 0.00 0.00 62.75 59.87 2d90 n ILE 93 Cb 0.52 -0.52 -0.02 0.00 -1.44 0.00 0.00 39.64 38.17 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.72 -1.77 0.00 0.00 176.55 174.06 2d90 s TYR 94 N -1.54 3.10 -0.30 4.28 -0.85 -1.26 -5.02 117.35 115.77 2d90 s TYR 94 Ca 0.64 1.36 -0.13 0.00 -0.52 0.00 0.00 57.07 58.42 2d90 s TYR 94 Cb -0.57 -3.66 0.13 0.00 0.38 0.00 0.00 41.96 38.23 2d90 s TYR 94 CO 0.58 -1.88 0.76 0.45 -1.52 0.00 0.00 175.55 173.94 2d90 s SER 95 N -0.30 -0.92 0.50 -0.18 0.15 -1.26 -5.18 113.70 106.51 2d90 s SER 95 Ca 0.51 1.32 0.09 0.00 0.70 0.00 0.00 55.95 58.57 2d90 s SER 95 Cb -0.39 1.89 0.05 0.00 -1.71 0.00 0.00 66.02 65.86 2d90 s SER 95 CO 0.49 -0.19 0.66 -0.76 1.20 0.00 0.00 173.24 174.64 2d90 s LEU 96 N 2.42 3.36 -0.11 3.45 2.01 -1.26 -5.12 118.68 123.43 2d90 s LEU 96 Ca -0.06 -0.66 -0.03 0.00 0.01 0.00 0.00 54.13 53.39 2d90 s LEU 96 Cb -0.09 -2.11 0.04 0.00 0.01 0.00 0.00 46.19 44.04 2d90 s LEU 96 CO -0.18 -1.04 0.04 -0.94 1.01 0.00 0.00 176.35 175.24 2d90 s SER 97 N -4.49 1.86 0.00 2.29 1.04 -1.26 -5.11 113.70 108.03 2d90 s SER 97 Ca 0.57 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2d90 s SER 97 Cb -0.07 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2d90 s SER 97 CO 0.35 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2d90 n GLY 98 N 5.20 4.10 3.77 7.32 0.00 -1.26 -5.15 105.19 119.17 2d90 n GLY 98 Ca -0.06 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.87 2.69 -0.04 1.61 0.04 -1.26 -4.98 135.00 131.18 2d90 s PRO 99 Ca 0.00 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.45 2d90 s PRO 99 Cb 0.00 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2d90 s PRO 99 CO 0.00 -1.33 0.97 -1.13 0.04 0.00 0.00 177.00 175.55 2d90 n SER 100 N -2.64 1.45 -4.25 6.66 3.41 -1.26 -5.03 113.62 111.96 2d90 n SER 100 Ca 0.10 -2.20 -0.31 0.00 -0.26 0.00 0.00 58.87 56.20 2d90 n SER 100 Cb 0.52 -0.18 -0.17 0.00 -0.26 0.00 0.00 64.21 64.13 2d90 n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d90 s SER 101 N -1.47 3.00 0.00 4.04 1.04 -1.26 -5.37 113.70 113.68 2d90 s SER 101 Ca 0.11 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2d90 s SER 101 Cb 0.09 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.29 2d90 s SER 101 CO 0.01 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.06