#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 h SER 2 N 0.00 -1.85 -3.13 1.61 0.02 -2.10 -3.35 113.55 104.74 2d90 h SER 2 Ca 0.00 0.31 -0.58 0.00 -0.84 0.00 0.00 61.79 60.68 2d90 h SER 2 Cb 0.00 0.86 -0.06 0.00 0.14 0.00 0.00 62.40 63.34 2d90 h SER 2 CO 0.00 -0.27 0.72 -0.44 -1.14 0.00 0.00 176.83 175.70 2d90 s SER 3 N -5.40 7.11 0.00 3.07 0.01 -1.26 -5.04 113.70 112.20 2d90 s SER 3 Ca -0.13 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2d90 s SER 3 Cb 0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2d90 s SER 3 CO 0.65 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2d90 n GLY 4 N 3.30 0.07 0.55 3.44 0.00 -1.26 -5.05 105.19 106.24 2d90 n GLY 4 Ca 0.11 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 2d90 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d90 n SER 5 N 0.00 1.39 -4.52 1.61 3.41 -1.26 -4.90 113.62 109.34 2d90 n SER 5 Ca 0.00 0.06 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 2d90 n SER 5 Cb 0.00 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.65 2d90 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d90 n SER 6 N -3.17 1.04 0.00 4.04 7.64 -1.26 -4.34 113.62 117.57 2d90 n SER 6 Ca -0.15 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.10 2d90 n SER 6 Cb 0.62 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 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 6.33 3.05 3.84 0.23 0.00 -1.26 -4.92 105.19 112.46 2d90 n GLY 7 Ca 0.45 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2d90 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d90 s ARG 8 N -1.65 2.91 -0.20 1.61 1.70 0.05 -4.85 118.95 118.51 2d90 s ARG 8 Ca 0.00 0.74 -0.03 0.00 -0.47 0.00 0.00 55.73 55.98 2d90 s ARG 8 Cb 0.00 -2.00 -0.00 0.00 -0.57 0.00 0.00 34.95 32.37 2d90 s ARG 8 CO 0.00 -1.06 -0.08 0.08 -1.08 0.00 0.00 175.30 173.16 2d90 s VAL 9 N -3.16 3.11 0.17 4.99 1.01 -1.26 -2.84 120.40 122.42 2d90 s VAL 9 Ca 0.58 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.03 2d90 s VAL 9 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2d90 s VAL 9 CO 0.54 0.46 0.11 -0.69 0.00 0.00 0.00 175.10 175.52 2d90 s VAL 10 N 1.29 4.34 -0.03 2.92 1.01 0.61 -4.95 120.40 125.59 2d90 s VAL 10 Ca 0.03 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 60.85 2d90 s VAL 10 Cb -0.14 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2d90 s VAL 10 CO -0.04 -0.12 0.03 -0.69 0.00 0.00 0.00 175.10 174.29 2d90 s VAL 11 N -1.76 -0.00 0.07 2.92 1.01 -1.26 -1.43 120.40 119.95 2d90 s VAL 11 Ca 0.30 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2d90 s VAL 11 Cb -0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2d90 s VAL 11 CO 0.22 0.13 -0.07 -0.63 0.00 0.00 0.00 175.10 174.75 2d90 s ILE 12 N 1.33 0.63 -0.12 2.22 1.01 -1.06 -4.62 121.20 120.60 2d90 s ILE 12 Ca -0.06 -1.55 -0.02 0.00 0.00 0.00 0.00 60.65 59.02 2d90 s ILE 12 Cb -0.13 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.19 2d90 s ILE 12 CO -0.03 -0.65 0.04 -0.54 0.00 0.00 0.00 174.94 173.76 2d90 s LYS 13 N -2.80 0.42 -0.05 2.79 1.02 -1.26 -1.66 119.74 118.19 2d90 s LYS 13 Ca 0.02 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 2d90 s LYS 13 Cb -0.02 -1.35 -0.15 0.00 -0.52 0.00 0.00 37.83 35.80 2d90 s LYS 13 CO -0.02 -0.46 0.84 1.17 -0.92 0.00 0.00 175.35 175.96 2d90 n LYS 14 N 5.17 0.00 0.00 1.68 4.81 0.87 -4.85 118.16 125.84 2d90 n LYS 14 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2d90 n LYS 14 Cb 0.49 -1.11 0.00 0.00 0.02 0.00 0.00 35.03 34.43 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 1.36 0.43 0.98 3.14 0.00 -0.82 -5.00 105.19 105.29 2d90 n GLY 15 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 0.59 -2.12 1.61 2.88 -1.26 -4.79 113.62 110.53 2d90 n SER 16 Ca 0.00 0.08 -0.19 0.00 -1.33 0.00 0.00 58.87 57.42 2d90 n SER 16 Cb 0.00 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 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 -3.03 6.31 0.00 -3.46 4.13 -1.26 -4.97 115.26 112.98 2d90 n ASN 17 Ca -0.00 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.22 2d90 n ASN 17 Cb 0.01 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 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 0.80 0.65 0.28 7.41 0.00 -1.26 -4.40 105.19 108.67 2d90 n GLY 18 Ca 0.37 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 9.49 0.00 0.00 1.61 4.02 -1.26 -1.94 117.16 129.08 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 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 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 1.80 1.01 3.64 2.72 0.00 -1.26 -1.50 105.19 111.60 2d90 n GLY 20 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.97 -0.65 0.49 1.61 -0.12 -1.26 -2.97 117.98 113.11 2d90 s PHE 21 Ca 0.00 1.51 0.07 0.00 -0.05 0.00 0.00 56.93 58.47 2d90 s PHE 21 Cb 0.00 0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.78 2d90 s PHE 21 CO 0.00 -0.32 0.50 0.71 -0.05 0.00 0.00 175.22 176.06 2d90 s TYR 22 N 0.57 2.08 0.03 3.49 1.51 -0.83 -4.97 117.35 119.24 2d90 s TYR 22 Ca -0.01 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 2d90 s TYR 22 Cb -0.05 -2.12 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 2d90 s TYR 22 CO -0.07 -0.50 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.32 2d90 s LEU 23 N -4.32 2.27 0.04 -1.29 1.43 -1.26 -3.21 118.68 112.34 2d90 s LEU 23 Ca 0.48 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2d90 s LEU 23 Cb -0.04 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.22 2d90 s LEU 23 CO 0.29 -0.31 0.18 -0.60 0.23 0.00 0.00 176.35 176.14 2d90 s ARG 24 N -1.77 0.67 -0.64 1.70 3.52 -0.69 -4.95 118.95 116.79 2d90 s ARG 24 Ca -0.12 -0.63 -0.27 0.00 -0.13 0.00 0.00 55.73 54.59 2d90 s ARG 24 Cb -0.08 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.59 2d90 s ARG 24 CO -0.02 -0.19 1.65 0.00 -0.81 0.00 0.00 175.30 175.93 2d90 s ALA 25 N -2.51 2.41 1.25 6.12 0.00 -1.26 -2.53 121.76 125.24 2d90 s ALA 25 Ca -0.06 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 2d90 s ALA 25 Cb -0.01 -4.27 0.26 0.00 0.00 0.00 0.00 23.12 19.09 2d90 s ALA 25 CO -0.04 -3.61 0.81 0.41 0.00 0.00 0.00 175.76 173.34 2d90 n GLY 26 N 5.56 -3.05 0.00 0.00 0.00 -1.26 -5.00 105.19 101.45 2d90 n GLY 26 Ca 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.38 -0.12 -0.32 1.61 -0.04 -1.26 -4.82 135.00 125.66 2d90 n PRO 27 Ca 0.12 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.76 2d90 n PRO 27 Cb 0.47 0.00 0.35 0.00 -0.04 0.00 0.00 33.50 34.27 2d90 n PRO 27 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2d90 n GLU 28 N -0.84 -0.07 -1.14 0.54 0.28 -1.26 -4.54 120.64 113.60 2d90 n GLU 28 Ca 0.00 1.40 -0.37 0.00 -0.16 0.00 0.00 57.16 58.03 2d90 n GLU 28 Cb 0.00 -2.29 0.04 0.00 1.43 0.00 0.00 31.44 30.61 2d90 n GLU 28 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2d90 n GLN 29 N -5.35 0.04 -3.59 3.44 -0.06 -1.26 -4.93 117.38 105.67 2d90 n GLN 29 Ca 0.26 0.02 -0.38 0.00 -2.00 0.00 0.00 57.00 54.90 2d90 n GLN 29 Cb 0.85 -1.17 -0.06 0.00 -4.06 0.00 0.00 30.24 25.80 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2d90 s LYS 30 N -1.76 3.84 0.00 3.69 -0.14 -1.26 -4.87 119.74 119.24 2d90 s LYS 30 Ca 0.52 0.26 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 2d90 s LYS 30 Cb -0.34 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.57 2d90 s LYS 30 CO 0.71 0.66 0.00 0.41 -0.76 0.00 0.00 175.35 176.38 2d90 n GLY 31 N 2.01 2.58 3.69 -3.33 0.00 -1.24 -4.76 105.19 104.15 2d90 n GLY 31 Ca -0.15 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.06 2.84 -0.12 1.61 -1.52 -0.95 -4.23 119.66 115.23 2d90 s GLN 32 Ca 0.00 -0.58 -0.11 0.00 -1.95 0.00 0.00 55.36 52.72 2d90 s GLN 32 Cb 0.00 -2.70 -0.05 0.00 -0.22 0.00 0.00 33.01 30.04 2d90 s GLN 32 CO 0.00 0.63 0.24 0.42 -0.25 0.00 0.00 175.29 176.33 2d90 s ILE 33 N -1.08 5.34 0.25 1.08 1.01 -1.05 -0.76 121.20 125.98 2d90 s ILE 33 Ca 0.19 0.43 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 2d90 s ILE 33 Cb -0.12 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2d90 s ILE 33 CO 0.10 0.52 0.50 -0.63 0.00 0.00 0.00 174.94 175.43 2d90 s ILE 34 N -0.41 5.07 0.02 2.92 1.01 -0.59 -1.70 121.20 127.51 2d90 s ILE 34 Ca 0.16 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 2d90 s ILE 34 Cb -0.13 -3.71 0.10 0.00 0.01 0.00 0.00 42.46 38.73 2d90 s ILE 34 CO 0.05 -0.22 1.24 -1.59 0.00 0.00 0.00 174.94 174.43 2d90 s LYS 35 N -3.31 0.54 -1.55 2.79 -2.85 -1.20 0.37 119.74 114.53 2d90 s LYS 35 Ca 0.43 -0.34 -0.14 0.00 -1.00 0.00 0.00 55.97 54.92 2d90 s LYS 35 Cb -0.11 0.16 0.09 0.00 -2.06 0.00 0.00 37.83 35.91 2d90 s LYS 35 CO 0.28 -0.25 0.96 -0.25 0.10 0.00 0.00 175.35 176.19 2d90 n ASP 36 N -0.94 -4.60 -4.74 0.03 9.92 -1.26 -1.97 116.55 112.99 2d90 n ASP 36 Ca -0.00 -0.81 -0.41 0.00 -0.53 0.00 0.00 54.79 53.04 2d90 n ASP 36 Cb 0.60 -3.76 -0.02 0.00 -0.64 0.00 0.00 41.12 37.30 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 -3.31 2.58 0.21 0.53 1.01 -1.26 -4.54 121.20 116.43 2d90 s ILE 37 Ca 0.66 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 61.59 2d90 s ILE 37 Cb -0.34 -3.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.75 2d90 s ILE 37 CO 0.84 0.07 0.73 -1.61 0.00 0.00 0.00 174.94 174.97 2d90 s GLU 38 N -0.26 4.28 0.59 2.79 2.02 -1.16 -5.00 118.70 121.97 2d90 s GLU 38 Ca 0.61 0.90 -0.17 0.00 0.02 0.00 0.00 54.97 56.32 2d90 s GLU 38 Cb -0.43 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 2d90 s GLU 38 CO 0.43 0.41 1.12 -1.25 0.02 0.00 0.00 175.26 175.99 2d90 s PRO 39 N -1.88 3.11 -0.40 0.39 0.04 -1.26 -3.19 135.00 131.81 2d90 s PRO 39 Ca 0.42 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2d90 s PRO 39 Cb -0.17 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2d90 s PRO 39 CO 0.21 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2d90 n GLY 40 N -0.16 -0.29 3.93 0.56 0.00 -1.26 -4.90 105.19 103.08 2d90 n GLY 40 Ca 0.11 0.00 -0.28 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 -1.87 6.31 0.60 1.61 1.04 -1.19 -4.91 113.70 115.28 2d90 s SER 41 Ca 0.00 0.19 0.29 0.00 0.48 0.00 0.00 55.95 56.91 2d90 s SER 41 Cb 0.00 -1.90 1.31 0.00 0.10 0.00 0.00 66.02 65.52 2d90 s SER 41 CO 0.00 0.09 1.69 -0.65 0.98 0.00 0.00 173.24 175.35 2d90 h PRO 42 N 2.45 0.00 0.08 4.02 0.11 -1.79 0.31 132.00 137.17 2d90 h PRO 42 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2d90 h PRO 42 Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2d90 h PRO 42 CO 0.71 0.00 -0.91 0.00 -0.21 0.00 0.00 178.00 177.59 2d90 h ALA 43 N 1.14 0.00 -0.05 -0.75 0.00 -1.48 -2.48 119.26 115.65 2d90 h ALA 43 Ca 0.32 -0.68 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 2d90 h ALA 43 Cb 1.82 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2d90 h ALA 43 CO -0.00 0.49 -0.86 1.49 0.00 0.00 0.00 179.25 180.37 2d90 h GLU 44 N -0.01 0.52 0.00 0.00 4.81 -0.73 -2.80 114.58 116.37 2d90 h GLU 44 Ca -0.14 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2d90 h GLU 44 Cb 1.63 0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.14 2d90 h GLU 44 CO 0.18 1.12 0.00 0.00 -0.73 0.00 0.00 179.01 179.58 2d90 n ALA 45 N -2.56 2.05 0.07 2.92 0.00 0.42 -3.02 120.51 120.38 2d90 n ALA 45 Ca -0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 2d90 n ALA 45 Cb 0.79 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 2d90 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2d90 h ALA 46 N 2.61 0.30 0.00 0.00 0.00 -1.33 -3.48 119.26 117.36 2d90 h ALA 46 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2d90 h ALA 46 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2d90 h ALA 46 CO 0.00 1.18 0.00 0.41 0.00 0.00 0.00 179.25 180.84 2d90 n GLY 47 N 1.48 1.56 2.42 0.00 0.00 -1.17 -4.63 105.19 104.84 2d90 n GLY 47 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.07 -5.07 117.00 112.98 2d90 n LEU 48 Ca 0.00 -0.67 -0.08 0.00 -0.03 0.00 0.00 56.01 55.23 2d90 n LEU 48 Cb 0.00 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.26 2d90 n LEU 48 CO 0.00 -2.54 0.53 -0.54 -1.33 0.00 0.00 177.39 173.51 2d90 s LYS 49 N -4.58 0.61 0.36 3.23 1.02 -1.26 -4.96 119.74 114.16 2d90 s LYS 49 Ca 0.51 0.90 -0.26 0.00 0.02 0.00 0.00 55.97 57.14 2d90 s LYS 49 Cb -0.09 0.21 -0.12 0.00 -0.52 0.00 0.00 37.83 37.30 2d90 s LYS 49 CO 0.43 -0.10 1.04 0.09 -0.92 0.00 0.00 175.35 175.89 2d90 n ASN 50 N 3.35 1.45 -2.30 2.83 4.13 -1.26 -2.23 115.26 121.24 2d90 n ASN 50 Ca -0.17 1.11 -0.15 0.00 1.68 0.00 0.00 54.58 57.05 2d90 n ASN 50 Cb 0.57 -1.35 0.04 0.00 -1.54 0.00 0.00 39.78 37.51 2d90 n ASN 50 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2d90 n ASN 51 N 0.82 -4.70 -4.60 6.41 4.13 0.16 -4.96 115.26 112.51 2d90 n ASN 51 Ca 0.09 -0.28 -0.41 0.00 1.68 0.00 0.00 54.58 55.66 2d90 n ASN 51 Cb 0.36 -3.41 -0.07 0.00 -1.54 0.00 0.00 39.78 35.12 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 -3.04 6.46 -0.26 6.41 1.11 -0.95 -4.74 116.67 121.67 2d90 s ASP 52 Ca 0.30 0.45 -0.23 0.00 0.18 0.00 0.00 52.55 53.24 2d90 s ASP 52 Cb -0.13 -2.31 -0.01 0.00 1.07 0.00 0.00 42.92 41.55 2d90 s ASP 52 CO 0.37 -0.40 0.78 -0.22 1.18 0.00 0.00 175.17 176.89 2d90 s LEU 53 N 2.46 4.08 -0.20 1.23 2.96 -1.25 -1.54 118.68 126.41 2d90 s LEU 53 Ca 0.23 0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 54.89 2d90 s LEU 53 Cb -0.15 -3.09 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 2d90 s LEU 53 CO 0.11 -0.52 0.20 -0.69 -1.32 0.00 0.00 176.35 174.13 2d90 s VAL 54 N 2.81 5.35 -0.04 1.68 1.01 0.06 -2.14 120.40 129.13 2d90 s VAL 54 Ca 0.32 0.33 0.14 0.00 0.00 0.00 0.00 61.98 62.77 2d90 s VAL 54 Cb -0.15 -3.54 -0.21 0.00 0.00 0.00 0.00 36.38 32.48 2d90 s VAL 54 CO 0.09 0.39 0.26 1.33 0.00 0.00 0.00 175.10 177.17 2d90 n VAL 55 N 3.77 0.19 -3.84 2.92 0.24 -0.49 -2.23 118.33 118.89 2d90 n VAL 55 Ca -0.14 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.34 61.68 2d90 n VAL 55 Cb 0.52 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.86 -0.36 -0.23 2.33 0.00 -1.21 -2.57 121.76 116.85 2d90 s ALA 56 Ca -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 2d90 s ALA 56 Cb 0.08 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.58 2d90 s ALA 56 CO 0.59 -0.37 0.10 0.08 0.00 0.00 0.00 175.76 176.16 2d90 s VAL 57 N -2.66 0.03 -0.65 0.00 1.01 -0.10 -1.52 120.40 116.50 2d90 s VAL 57 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2d90 s VAL 57 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2d90 s VAL 57 CO -0.04 -0.49 0.00 0.59 0.00 0.00 0.00 175.10 175.16 2d90 n ASN 58 N 5.22 -2.90 0.00 3.32 3.02 -0.28 -2.96 115.26 120.67 2d90 n ASN 58 Ca -0.06 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2d90 n ASN 58 Cb 0.45 -2.07 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -1.15 0.50 3.29 7.41 0.00 -1.26 -5.02 105.19 108.95 2d90 n GLY 59 Ca -0.09 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.87 1.71 -0.41 1.61 -0.14 -1.16 -5.09 119.74 114.39 2d90 s LYS 60 Ca 0.00 -0.97 -0.29 0.00 -1.36 0.00 0.00 55.97 53.35 2d90 s LYS 60 Cb 0.00 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.38 2d90 s LYS 60 CO 0.00 0.47 1.26 -1.54 -0.76 0.00 0.00 175.35 174.78 2d90 s SER 61 N -0.99 6.56 -0.00 2.83 1.04 -1.26 -0.93 113.70 120.95 2d90 s SER 61 Ca 0.10 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.38 2d90 s SER 61 Cb -0.09 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.38 2d90 s SER 61 CO 0.01 -1.25 0.29 1.33 0.98 0.00 0.00 173.24 174.60 2d90 n VAL 62 N 6.73 0.00 0.09 5.02 0.24 -1.08 -4.51 118.33 124.82 2d90 n VAL 62 Ca 0.14 -0.28 0.05 0.00 -2.04 0.00 0.00 64.34 62.22 2d90 n VAL 62 Cb 0.48 0.81 0.29 0.00 -1.47 0.00 0.00 33.84 33.94 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 -1.36 0.07 0.00 7.34 0.00 -1.06 -0.22 120.64 125.41 2d90 n GLU 63 Ca 0.01 0.56 0.10 0.00 0.00 0.00 0.00 57.16 57.83 2d90 n GLU 63 Cb 0.15 -1.72 -0.11 0.00 0.00 0.00 0.00 31.44 29.76 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 -1.63 3.98 -2.34 -1.84 0.00 -1.26 -3.64 120.51 113.77 2d90 n ALA 64 Ca -0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 2d90 n ALA 64 Cb 0.02 -0.79 0.12 0.00 0.00 0.00 0.00 19.45 18.80 2d90 n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d90 n LEU 65 N -1.79 0.00 -4.84 0.00 4.77 0.69 -5.11 117.00 110.72 2d90 n LEU 65 Ca 0.01 -1.66 -0.27 0.00 -0.03 0.00 0.00 56.01 54.07 2d90 n LEU 65 Cb 0.42 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 2d90 n LEU 65 CO 0.43 -1.03 -0.05 1.51 -1.33 0.00 0.00 177.39 176.92 2d90 s ASP 66 N -4.70 4.53 0.17 -1.43 1.47 -1.26 -4.81 116.67 110.64 2d90 s ASP 66 Ca 0.59 -1.25 -0.20 0.00 1.18 0.00 0.00 52.55 52.87 2d90 s ASP 66 Cb -0.03 0.18 0.08 0.00 -0.34 0.00 0.00 42.92 42.80 2d90 s ASP 66 CO 0.40 -0.91 1.31 1.57 0.68 0.00 0.00 175.17 178.22 2d90 n HIS 67 N -1.55 -0.17 0.02 2.11 -0.00 -1.26 0.18 115.22 114.54 2d90 n HIS 67 Ca -0.04 1.05 -0.11 0.00 -0.00 0.00 0.00 57.72 58.62 2d90 n HIS 67 Cb 0.65 -0.70 -0.06 0.00 -0.00 0.00 0.00 29.99 29.88 2d90 n HIS 67 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 2d90 h ASP 68 N 0.00 0.06 0.11 0.26 1.82 -1.97 -0.45 116.42 116.25 2d90 h ASP 68 Ca 0.22 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.85 2d90 h ASP 68 Cb 0.43 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.39 2d90 h ASP 68 CO -0.82 0.06 -0.43 1.23 -1.61 0.00 0.00 179.24 177.67 2d90 h GLY 69 N 0.06 -1.18 0.65 -0.78 0.00 -0.63 0.35 103.07 101.54 2d90 h GLY 69 Ca 0.02 0.62 0.01 0.00 0.00 0.00 0.00 47.33 47.98 2d90 h GLY 69 CO -0.00 -0.31 -0.27 -2.08 0.00 0.00 0.00 176.54 173.88 2d90 h VAL 70 N -0.62 0.42 -0.74 4.60 2.07 -0.77 -1.55 116.25 119.65 2d90 h VAL 70 Ca -0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.71 2d90 h VAL 70 Cb 0.62 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2d90 h VAL 70 CO -0.23 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.46 2d90 h VAL 71 N -0.55 0.66 0.27 2.57 2.07 -0.92 -1.72 116.25 118.63 2d90 h VAL 71 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2d90 h VAL 71 Cb 0.53 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2d90 h VAL 71 CO -0.08 0.02 -0.13 -0.08 0.02 0.00 0.00 177.57 177.31 2d90 h GLU 72 N 0.09 -0.35 -0.92 1.57 4.81 0.68 -3.15 114.58 117.32 2d90 h GLU 72 Ca 0.36 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.85 2d90 h GLU 72 Cb 1.29 0.08 -0.17 0.00 0.63 0.00 0.00 28.75 30.58 2d90 h GLU 72 CO -0.04 -0.03 0.02 0.52 -0.73 0.00 0.00 179.01 178.76 2d90 h MET 73 N -0.70 0.05 -0.48 1.92 2.86 -0.76 0.40 114.93 118.23 2d90 h MET 73 Ca -0.04 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2d90 h MET 73 Cb 0.48 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 2d90 h MET 73 CO 0.06 0.03 0.14 0.82 1.06 0.00 0.00 176.91 179.02 2d90 h ILE 74 N 0.05 0.79 0.00 -1.22 2.04 -1.50 0.14 117.51 117.81 2d90 h ILE 74 Ca 0.54 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.30 2d90 h ILE 74 Cb 1.05 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2d90 h ILE 74 CO -0.83 0.05 0.04 0.03 0.00 0.00 0.00 178.15 177.44 2d90 h ARG 75 N 0.30 0.00 0.16 2.37 3.08 -0.17 -0.91 114.38 119.20 2d90 h ARG 75 Ca 0.23 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.98 2d90 h ARG 75 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2d90 h ARG 75 CO -0.27 0.00 -1.44 0.87 -1.07 0.00 0.00 179.97 178.06 2d90 h LYS 76 N 0.00 0.33 0.00 0.04 1.79 -0.32 -3.28 116.57 115.14 2d90 h LYS 76 Ca 0.00 -0.57 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2d90 h LYS 76 Cb 0.08 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2d90 h LYS 76 CO 0.00 1.24 0.45 0.78 -1.08 0.00 0.00 179.45 180.84 2d90 h GLY 77 N 1.23 0.00 0.00 3.86 0.00 -0.64 -3.46 103.07 104.06 2d90 h GLY 77 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2d90 h GLY 77 CO 0.20 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.35 2d90 n GLY 78 N -1.28 1.81 0.12 4.60 0.00 -1.24 -3.84 105.19 105.35 2d90 n GLY 78 Ca -0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 2d90 n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2d90 h ASP 79 N 0.00 -0.14 -3.26 1.61 2.03 -1.93 -3.46 116.42 111.27 2d90 h ASP 79 Ca 0.00 -0.42 -0.65 0.00 -0.73 0.00 0.00 57.03 55.23 2d90 h ASP 79 Cb 0.00 0.04 -0.16 0.00 -0.83 0.00 0.00 39.33 38.37 2d90 h ASP 79 CO 0.00 0.44 -0.77 0.00 -1.03 0.00 0.00 179.24 177.88 2d90 s GLN 80 N -3.38 1.85 -0.03 4.15 -2.07 -1.25 -0.09 119.66 118.84 2d90 s GLN 80 Ca -0.13 -1.30 -0.14 0.00 -1.82 0.00 0.00 55.36 51.97 2d90 s GLN 80 Cb 0.00 -2.07 0.02 0.00 -1.09 0.00 0.00 33.01 29.87 2d90 s GLN 80 CO 0.51 0.44 0.30 -0.08 -1.32 0.00 0.00 175.29 175.14 2d90 s THR 81 N -1.53 0.05 -0.12 3.63 -1.32 -0.66 -4.66 115.64 111.02 2d90 s THR 81 Ca 0.22 -0.41 -0.07 0.00 -1.21 0.00 0.00 61.69 60.22 2d90 s THR 81 Cb -0.09 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.29 2d90 s THR 81 CO 0.12 -0.23 0.13 -0.89 -2.21 0.00 0.00 174.62 171.55 2d90 s THR 82 N -1.07 5.42 0.03 5.08 2.01 -1.26 -2.56 115.64 123.29 2d90 s THR 82 Ca -0.11 0.18 0.09 0.00 0.31 0.00 0.00 61.69 62.15 2d90 s THR 82 Cb -0.05 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2d90 s THR 82 CO 0.03 0.61 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.56 2d90 s LEU 83 N -0.93 2.21 -0.35 4.42 1.43 -0.51 -1.13 118.68 123.83 2d90 s LEU 83 Ca 0.14 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2d90 s LEU 83 Cb -0.12 -1.33 0.10 0.00 0.03 0.00 0.00 46.19 44.87 2d90 s LEU 83 CO 0.03 0.28 0.06 -0.22 0.23 0.00 0.00 176.35 176.73 2d90 s LEU 84 N -1.10 4.66 0.21 1.79 2.96 -0.58 -0.28 118.68 126.35 2d90 s LEU 84 Ca 0.12 -2.18 0.08 0.00 -0.22 0.00 0.00 54.13 51.93 2d90 s LEU 84 Cb -0.10 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2d90 s LEU 84 CO 0.02 -0.37 0.01 0.68 -1.32 0.00 0.00 176.35 175.36 2d90 s VAL 85 N 0.87 3.67 -0.02 1.68 -7.23 -1.13 -1.39 120.40 116.85 2d90 s VAL 85 Ca 0.11 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 2d90 s VAL 85 Cb -0.19 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 2d90 s VAL 85 CO -0.08 -0.22 0.32 -0.76 -0.31 0.00 0.00 175.10 174.04 2d90 s LEU 86 N -3.27 4.42 -0.09 1.32 2.01 -0.91 -0.77 118.68 121.39 2d90 s LEU 86 Ca 0.29 0.75 -0.07 0.00 0.01 0.00 0.00 54.13 55.11 2d90 s LEU 86 Cb -0.08 -2.52 -0.04 0.00 0.01 0.00 0.00 46.19 43.55 2d90 s LEU 86 CO 0.19 0.31 -0.17 -0.90 1.01 0.00 0.00 176.35 176.80 2d90 n ASP 87 N 1.62 1.18 -0.24 2.29 5.75 -1.26 -4.18 116.55 121.72 2d90 n ASP 87 Ca -0.14 0.19 0.02 0.00 -0.01 0.00 0.00 54.79 54.85 2d90 n ASP 87 Cb 0.53 -0.45 0.14 0.00 -1.03 0.00 0.00 41.12 40.31 2d90 n ASP 87 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2d90 h LYS 88 N -0.47 0.49 -2.53 0.11 1.79 -1.98 -3.28 116.57 110.70 2d90 h LYS 88 Ca -0.19 -0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.65 2d90 h LYS 88 Cb 0.93 -0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 31.07 2d90 h LYS 88 CO -0.11 0.32 -0.80 -0.85 -1.08 0.00 0.00 179.45 176.93 2d90 n GLU 89 N -4.94 1.20 -0.11 3.15 0.28 -1.26 -4.90 120.64 114.06 2d90 n GLU 89 Ca 0.11 -3.87 -0.23 0.00 -0.16 0.00 0.00 57.16 53.02 2d90 n GLU 89 Cb 0.31 -1.91 -0.08 0.00 1.43 0.00 0.00 31.44 31.19 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 2.01 1.54 -1.50 -1.84 0.00 -1.24 -4.83 120.51 114.65 2d90 n ALA 90 Ca 0.25 -0.90 -0.40 0.00 0.00 0.00 0.00 53.44 52.39 2d90 n ALA 90 Cb 0.43 0.17 0.02 0.00 0.00 0.00 0.00 19.45 20.08 2d90 n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2d90 n GLU 91 N -3.85 0.71 -4.96 0.00 0.00 -1.26 -4.76 120.64 106.52 2d90 n GLU 91 Ca -0.43 0.27 -0.29 0.00 0.00 0.00 0.00 57.16 56.70 2d90 n GLU 91 Cb 0.83 -1.74 -0.17 0.00 0.00 0.00 0.00 31.44 30.36 2d90 n GLU 91 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2d90 s SER 92 N -1.03 2.54 0.25 4.31 1.04 -1.26 -5.12 113.70 114.43 2d90 s SER 92 Ca 0.67 -0.45 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 2d90 s SER 92 Cb -0.51 -1.14 -0.09 0.00 0.10 0.00 0.00 66.02 64.38 2d90 s SER 92 CO 0.55 0.11 1.18 -0.63 0.98 0.00 0.00 173.24 175.44 2d90 s ILE 93 N 0.45 3.37 -0.17 -1.02 -1.09 -1.26 -5.03 121.20 116.45 2d90 s ILE 93 Ca -0.16 1.27 -0.07 0.00 -2.23 0.00 0.00 60.65 59.46 2d90 s ILE 93 Cb -0.17 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2d90 s ILE 93 CO 0.07 0.26 0.09 -0.72 -1.23 0.00 0.00 174.94 173.40 2d90 s TYR 94 N -0.68 3.34 1.15 3.97 -0.85 -1.26 -4.97 117.35 118.06 2d90 s TYR 94 Ca 0.49 0.22 -0.15 0.00 -0.52 0.00 0.00 57.07 57.11 2d90 s TYR 94 Cb -0.34 -2.05 0.22 0.00 0.38 0.00 0.00 41.96 40.17 2d90 s TYR 94 CO 0.41 0.31 0.62 0.45 -1.52 0.00 0.00 175.55 175.82 2d90 n SER 95 N 3.16 -1.99 -3.86 -0.18 2.88 -1.26 -5.00 113.62 107.38 2d90 n SER 95 Ca -0.17 -0.14 -0.30 0.00 -1.33 0.00 0.00 58.87 56.93 2d90 n SER 95 Cb 0.53 -1.15 -0.14 0.00 -0.75 0.00 0.00 64.21 62.70 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 -4.88 3.58 -0.00 2.46 1.98 -1.26 -5.09 118.68 115.47 2d90 s LEU 96 Ca 0.64 -2.52 0.02 0.00 -2.89 0.00 0.00 54.13 49.37 2d90 s LEU 96 Cb -0.20 -1.33 -0.01 0.00 0.66 0.00 0.00 46.19 45.31 2d90 s LEU 96 CO 0.66 -0.30 -0.06 -0.94 -1.89 0.00 0.00 176.35 173.82 2d90 s SER 97 N 0.43 0.65 0.00 3.68 1.04 -1.26 -5.01 113.70 113.23 2d90 s SER 97 Ca 0.15 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2d90 s SER 97 Cb -0.23 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2d90 s SER 97 CO -0.05 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2d90 n GLY 98 N 2.89 0.41 3.75 7.32 0.00 -1.26 -5.10 105.19 113.20 2d90 n GLY 98 Ca -0.13 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.63 2.00 0.99 1.61 0.04 -1.26 -4.96 135.00 132.79 2d90 s PRO 99 Ca 0.00 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 61.95 2d90 s PRO 99 Cb 0.00 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.52 2d90 s PRO 99 CO 0.00 -1.80 -0.80 0.45 0.04 0.00 0.00 177.00 174.89 2d90 n SER 100 N -3.62 -6.02 -3.57 6.66 2.88 -1.26 -5.01 113.62 103.69 2d90 n SER 100 Ca 0.09 0.18 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 2d90 n SER 100 Cb 0.54 -0.76 -0.04 0.00 -0.75 0.00 0.00 64.21 63.20 2d90 n SER 100 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d90 s SER 101 N -0.99 -0.28 0.00 -3.46 0.15 -1.26 -5.31 113.70 102.55 2d90 s SER 101 Ca 0.40 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2d90 s SER 101 Cb -0.18 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2d90 s SER 101 CO 0.82 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.53