#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d90 n SER 2 N 0.00 1.94 -4.56 1.61 3.41 -1.26 -4.85 113.62 109.92 2d90 n SER 2 Ca 0.00 0.93 -0.34 0.00 -0.26 0.00 0.00 58.87 59.20 2d90 n SER 2 Cb 0.00 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.41 2d90 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d90 s SER 3 N -1.02 5.47 0.11 4.04 0.15 -1.26 -4.56 113.70 116.64 2d90 s SER 3 Ca 0.73 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2d90 s SER 3 Cb -0.43 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 2d90 s SER 3 CO 0.49 -2.37 0.00 0.61 1.20 0.00 0.00 173.24 173.17 2d90 n GLY 4 N 6.38 -4.49 3.64 9.45 0.00 -1.26 -5.11 105.19 113.80 2d90 n GLY 4 Ca 0.30 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.34 0.13 -1.06 1.61 1.04 -1.26 -5.06 113.70 108.76 2d90 s SER 5 Ca 0.00 -1.05 -0.25 0.00 0.48 0.00 0.00 55.95 55.13 2d90 s SER 5 Cb 0.00 0.67 -0.19 0.00 0.10 0.00 0.00 66.02 66.60 2d90 s SER 5 CO 0.00 -1.30 2.01 -1.20 0.98 0.00 0.00 173.24 173.73 2d90 n SER 6 N -0.81 2.02 0.00 7.02 7.64 -1.26 -4.19 113.62 124.04 2d90 n SER 6 Ca -0.03 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2d90 n SER 6 Cb 0.61 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 5.88 2.45 3.88 0.23 0.00 -1.26 -4.95 105.19 111.42 2d90 n GLY 7 Ca 0.43 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.61 3.73 -0.14 1.61 1.70 -0.06 -4.87 118.95 119.32 2d90 s ARG 8 Ca 0.00 0.46 -0.07 0.00 -0.47 0.00 0.00 55.73 55.64 2d90 s ARG 8 Cb 0.00 -2.36 -0.04 0.00 -0.57 0.00 0.00 34.95 31.98 2d90 s ARG 8 CO 0.00 -0.11 0.13 0.08 -1.08 0.00 0.00 175.30 174.32 2d90 s VAL 9 N -2.50 5.41 0.10 4.99 1.01 -1.26 -2.48 120.40 125.67 2d90 s VAL 9 Ca 0.51 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.75 2d90 s VAL 9 Cb -0.10 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2d90 s VAL 9 CO 0.35 0.58 -0.21 -0.69 0.00 0.00 0.00 175.10 175.13 2d90 s VAL 10 N -0.68 1.68 -0.06 2.92 1.01 0.81 -4.96 120.40 121.12 2d90 s VAL 10 Ca 0.13 -1.51 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 2d90 s VAL 10 Cb -0.12 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2d90 s VAL 10 CO 0.02 -0.05 0.10 -0.69 0.00 0.00 0.00 175.10 174.49 2d90 s VAL 11 N -1.14 -0.17 0.15 2.92 1.01 -1.26 -0.11 120.40 121.80 2d90 s VAL 11 Ca 0.06 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.49 2d90 s VAL 11 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2d90 s VAL 11 CO 0.04 0.16 -0.16 -0.63 0.00 0.00 0.00 175.10 174.51 2d90 s ILE 12 N 2.14 1.58 -0.07 2.22 1.01 -1.02 -4.57 121.20 122.49 2d90 s ILE 12 Ca 0.03 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 58.78 2d90 s ILE 12 Cb -0.12 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2d90 s ILE 12 CO -0.04 -0.41 0.01 -0.54 0.00 0.00 0.00 174.94 173.95 2d90 s LYS 13 N -2.91 0.54 0.20 2.79 1.02 -1.26 -1.71 119.74 118.42 2d90 s LYS 13 Ca 0.14 0.13 -0.18 0.00 0.02 0.00 0.00 55.97 56.08 2d90 s LYS 13 Cb -0.04 -0.93 -0.12 0.00 -0.52 0.00 0.00 37.83 36.22 2d90 s LYS 13 CO 0.05 -0.31 0.24 1.17 -0.92 0.00 0.00 175.35 175.59 2d90 n LYS 14 N 5.16 0.00 0.00 1.68 4.81 0.60 -4.82 118.16 125.59 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 0.50 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.83 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 5.37 0.09 3.14 0.00 -0.31 -5.00 105.19 110.01 2d90 n GLY 15 Ca 0.11 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2d90 n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d90 h SER 16 N 0.00 -0.08 -3.08 1.61 4.64 -1.97 -3.37 113.55 111.30 2d90 h SER 16 Ca 0.00 -0.38 -0.68 0.00 -0.47 0.00 0.00 61.79 60.26 2d90 h SER 16 Cb 0.00 0.02 -0.37 0.00 -0.31 0.00 0.00 62.40 61.74 2d90 h SER 16 CO 0.00 0.35 -0.18 0.59 -0.87 0.00 0.00 176.83 176.73 2d90 n ASN 17 N -4.93 4.11 0.00 4.97 3.02 -1.26 -5.05 115.26 116.12 2d90 n ASN 17 Ca -0.08 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.25 2d90 n ASN 17 Cb 0.23 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 2d90 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d90 n GLY 18 N 1.95 3.06 0.12 7.41 0.00 -1.26 -3.65 105.19 112.83 2d90 n GLY 18 Ca 0.23 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 0.39 0.00 1.61 4.02 -1.26 -1.16 117.16 134.76 2d90 n TYR 19 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2d90 n TYR 19 Cb 0.00 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.30 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 1.33 1.79 3.80 2.72 0.00 -1.24 -1.74 105.19 111.84 2d90 n GLY 20 Ca -0.45 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.32 2.46 0.33 1.61 -0.71 -1.26 -0.91 117.98 118.18 2d90 s PHE 21 Ca 0.00 -0.62 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 2d90 s PHE 21 Cb 0.00 -1.99 -0.04 0.00 -1.21 0.00 0.00 43.02 39.78 2d90 s PHE 21 CO 0.00 0.01 0.13 0.71 -1.34 0.00 0.00 175.22 174.73 2d90 s TYR 22 N -2.61 1.71 0.02 3.49 1.51 -1.11 -4.99 117.35 115.37 2d90 s TYR 22 Ca 0.40 -1.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 2d90 s TYR 22 Cb 0.01 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 2d90 s TYR 22 CO 0.23 -0.35 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.78 2d90 s LEU 23 N -3.45 2.18 -0.13 -1.29 1.43 -1.26 -3.52 118.68 112.64 2d90 s LEU 23 Ca 0.33 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 2d90 s LEU 23 Cb 0.05 0.03 0.04 0.00 0.03 0.00 0.00 46.19 46.34 2d90 s LEU 23 CO 0.16 -0.20 0.43 -0.60 0.23 0.00 0.00 176.35 176.37 2d90 s ARG 24 N -1.08 0.57 -0.32 1.70 3.52 -0.93 -4.94 118.95 117.48 2d90 s ARG 24 Ca -0.11 0.45 -0.28 0.00 -0.13 0.00 0.00 55.73 55.67 2d90 s ARG 24 Cb -0.07 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.55 2d90 s ARG 24 CO -0.01 -0.10 2.09 0.00 -0.81 0.00 0.00 175.30 176.48 2d90 s ALA 25 N -0.12 2.58 1.00 6.12 0.00 -1.26 -2.41 121.76 127.66 2d90 s ALA 25 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2d90 s ALA 25 Cb -0.03 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2d90 s ALA 25 CO 0.02 -3.05 0.00 0.41 0.00 0.00 0.00 175.76 173.14 2d90 n GLY 26 N 5.69 -1.55 0.00 0.00 0.00 -1.26 -4.99 105.19 103.07 2d90 n GLY 26 Ca 0.28 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.97 -0.86 -0.25 1.61 -0.04 -1.26 -4.81 135.00 128.42 2d90 n PRO 27 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2d90 n PRO 27 Cb 0.00 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 33.70 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 -1.39 -0.06 -1.52 0.54 0.28 -1.26 -4.45 120.64 112.79 2d90 n GLU 28 Ca 0.00 1.07 -0.49 0.00 -0.16 0.00 0.00 57.16 57.59 2d90 n GLU 28 Cb 0.00 -1.74 -0.04 0.00 1.43 0.00 0.00 31.44 31.10 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2d90 n GLN 29 N -4.94 0.70 -2.94 3.44 1.13 -1.26 -4.91 117.38 108.60 2d90 n GLN 29 Ca 0.19 0.25 -0.40 0.00 -1.94 0.00 0.00 57.00 55.10 2d90 n GLN 29 Cb 0.61 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 29.35 2d90 n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2d90 s LYS 30 N -0.80 4.55 0.00 -1.09 3.01 -1.26 -4.75 119.74 119.39 2d90 s LYS 30 Ca 0.69 1.15 0.00 0.00 -1.01 0.00 0.00 55.97 56.80 2d90 s LYS 30 Cb -0.89 -3.34 0.00 0.00 -1.01 0.00 0.00 37.83 32.59 2d90 s LYS 30 CO 0.56 0.35 0.00 0.41 0.51 0.00 0.00 175.35 177.17 2d90 n GLY 31 N 2.17 3.34 3.88 -3.33 0.00 -1.21 -4.75 105.19 105.28 2d90 n GLY 31 Ca -0.03 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.59 3.46 -0.13 1.61 -1.52 -1.15 -4.11 119.66 115.23 2d90 s GLN 32 Ca 0.00 -0.11 -0.10 0.00 -1.95 0.00 0.00 55.36 53.20 2d90 s GLN 32 Cb 0.00 -3.19 -0.05 0.00 -0.22 0.00 0.00 33.01 29.55 2d90 s GLN 32 CO 0.00 0.77 0.19 0.42 -0.25 0.00 0.00 175.29 176.43 2d90 s ILE 33 N -1.02 5.39 0.12 1.08 1.01 -1.01 -1.32 121.20 125.44 2d90 s ILE 33 Ca 0.15 0.33 -0.13 0.00 0.00 0.00 0.00 60.65 61.01 2d90 s ILE 33 Cb -0.12 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 2d90 s ILE 33 CO 0.04 0.53 0.49 -0.63 0.00 0.00 0.00 174.94 175.38 2d90 s ILE 34 N -0.42 4.95 0.11 2.92 1.01 -0.62 -2.19 121.20 126.96 2d90 s ILE 34 Ca 0.14 0.68 -0.26 0.00 0.00 0.00 0.00 60.65 61.21 2d90 s ILE 34 Cb -0.12 -3.70 0.07 0.00 0.01 0.00 0.00 42.46 38.72 2d90 s ILE 34 CO 0.03 0.26 0.98 -1.59 0.00 0.00 0.00 174.94 174.62 2d90 s LYS 35 N -1.95 1.06 -1.26 2.79 0.00 -1.23 0.52 119.74 119.67 2d90 s LYS 35 Ca 0.36 -0.56 -0.07 0.00 0.00 0.00 0.00 55.97 55.70 2d90 s LYS 35 Cb -0.15 0.38 0.01 0.00 0.00 0.00 0.00 37.83 38.07 2d90 s LYS 35 CO 0.19 -0.48 1.09 -0.25 0.00 0.00 0.00 175.35 175.90 2d90 n ASP 36 N -0.43 -5.32 -4.75 0.03 9.92 -1.26 -2.76 116.55 111.98 2d90 n ASP 36 Ca -0.07 -0.53 -0.41 0.00 -0.53 0.00 0.00 54.79 53.25 2d90 n ASP 36 Cb 0.61 -4.83 -0.02 0.00 -0.64 0.00 0.00 41.12 36.24 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 2.63 0.07 0.53 1.01 -1.26 -4.65 121.20 116.21 2d90 s ILE 37 Ca 0.44 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.54 2d90 s ILE 37 Cb -0.20 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 2d90 s ILE 37 CO 0.69 0.11 0.41 -1.61 0.00 0.00 0.00 174.94 174.54 2d90 s GLU 38 N -0.92 3.80 0.53 2.79 0.41 -0.09 -5.02 118.70 120.21 2d90 s GLU 38 Ca 0.56 0.24 -0.20 0.00 -0.41 0.00 0.00 54.97 55.16 2d90 s GLU 38 Cb -0.42 -3.04 -0.06 0.00 -1.78 0.00 0.00 34.13 28.84 2d90 s GLU 38 CO 0.48 0.58 1.13 -1.25 -0.49 0.00 0.00 175.26 175.71 2d90 s PRO 39 N -1.74 3.40 -0.90 0.39 0.04 -1.26 -3.04 135.00 131.89 2d90 s PRO 39 Ca 0.31 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2d90 s PRO 39 Cb -0.15 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2d90 s PRO 39 CO 0.17 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2d90 n GLY 40 N 0.19 0.68 3.92 0.56 0.00 -1.26 -4.90 105.19 104.37 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 -1.76 6.42 0.60 1.61 1.04 -1.17 -4.89 113.70 115.54 2d90 s SER 41 Ca 0.00 0.54 0.28 0.00 0.48 0.00 0.00 55.95 57.26 2d90 s SER 41 Cb 0.00 -2.07 1.29 0.00 0.10 0.00 0.00 66.02 65.34 2d90 s SER 41 CO 0.00 -0.10 1.69 -0.65 0.98 0.00 0.00 173.24 175.16 2d90 h PRO 42 N 1.92 0.00 0.05 4.02 0.11 -1.83 0.45 132.00 136.73 2d90 h PRO 42 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2d90 h PRO 42 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2d90 h PRO 42 CO 0.67 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.44 2d90 h ALA 43 N 1.12 -0.07 -0.46 -0.75 0.00 -1.66 -2.57 119.26 114.87 2d90 h ALA 43 Ca 0.31 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2d90 h ALA 43 Cb 1.80 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2d90 h ALA 43 CO -0.00 -0.18 -0.01 1.49 0.00 0.00 0.00 179.25 180.54 2d90 h GLU 44 N -0.78 0.83 -0.70 0.00 4.57 -1.20 -2.81 114.58 114.48 2d90 h GLU 44 Ca -0.01 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2d90 h GLU 44 Cb 0.64 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 2d90 h GLU 44 CO 0.01 0.89 0.46 0.00 -1.18 0.00 0.00 179.01 179.18 2d90 h ALA 45 N 0.91 1.48 -0.17 2.92 0.00 -1.12 -1.64 119.26 121.65 2d90 h ALA 45 Ca 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2d90 h ALA 45 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2d90 h ALA 45 CO 0.03 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.73 2d90 h ALA 46 N 1.55 1.66 0.00 0.00 0.00 -1.25 -3.46 119.26 117.76 2d90 h ALA 46 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2d90 h ALA 46 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2d90 h ALA 46 CO -0.05 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2d90 n GLY 47 N -1.16 1.72 1.65 0.00 0.00 -0.61 -4.66 105.19 102.13 2d90 n GLY 47 Ca -0.00 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 -1.08 -5.06 117.00 112.99 2d90 n LEU 48 Ca 0.00 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.38 2d90 n LEU 48 Cb 0.00 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2d90 n LEU 48 CO 0.00 -2.02 0.38 -0.54 -1.33 0.00 0.00 177.39 173.88 2d90 s LYS 49 N -4.11 0.78 0.45 3.23 1.02 -1.26 -4.96 119.74 114.90 2d90 s LYS 49 Ca 0.34 1.06 -0.24 0.00 0.02 0.00 0.00 55.97 57.15 2d90 s LYS 49 Cb -0.05 0.31 -0.09 0.00 -0.52 0.00 0.00 37.83 37.47 2d90 s LYS 49 CO 0.28 -0.12 1.11 0.09 -0.92 0.00 0.00 175.35 175.80 2d90 n ASN 50 N 3.26 1.71 -2.94 2.83 4.13 -1.26 -2.26 115.26 120.74 2d90 n ASN 50 Ca -0.16 1.02 -0.20 0.00 1.68 0.00 0.00 54.58 56.92 2d90 n ASN 50 Cb 0.56 -1.42 0.05 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 0.14 -5.75 -4.62 6.41 3.02 0.18 -4.83 115.26 109.82 2d90 n ASN 51 Ca 0.09 -0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 2d90 n ASN 51 Cb 0.41 -4.47 -0.05 0.00 -0.61 0.00 0.00 39.78 35.05 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 -2.99 6.69 -0.40 6.41 1.11 -0.96 -4.40 116.67 122.13 2d90 s ASP 52 Ca 0.39 0.78 -0.22 0.00 0.18 0.00 0.00 52.55 53.68 2d90 s ASP 52 Cb -0.17 -2.40 0.01 0.00 1.07 0.00 0.00 42.92 41.44 2d90 s ASP 52 CO 0.48 -0.53 0.71 -0.22 1.18 0.00 0.00 175.17 176.79 2d90 s LEU 53 N 2.82 4.26 -0.38 1.23 2.96 -1.26 -1.58 118.68 126.73 2d90 s LEU 53 Ca 0.32 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 54.08 2d90 s LEU 53 Cb -0.15 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.67 2d90 s LEU 53 CO 0.10 -0.75 0.57 -0.69 -1.32 0.00 0.00 176.35 174.26 2d90 s VAL 54 N 2.98 4.94 -0.28 1.68 1.01 -0.44 -2.37 120.40 127.93 2d90 s VAL 54 Ca 0.27 0.25 0.22 0.00 0.00 0.00 0.00 61.98 62.73 2d90 s VAL 54 Cb -0.13 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.04 2d90 s VAL 54 CO 0.18 -0.37 0.86 1.33 0.00 0.00 0.00 175.10 177.10 2d90 n VAL 55 N 5.59 0.30 -3.84 2.92 0.24 -1.01 -2.94 118.33 119.59 2d90 n VAL 55 Ca -0.03 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.70 2d90 n VAL 55 Cb 0.48 -0.08 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 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 -3.37 -0.44 -0.07 2.33 0.00 -1.24 -2.86 121.76 116.12 2d90 s ALA 56 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 2d90 s ALA 56 Cb 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2d90 s ALA 56 CO 0.83 -0.19 -0.00 0.08 0.00 0.00 0.00 175.76 176.48 2d90 s VAL 57 N -1.00 0.38 -1.62 0.00 1.01 0.37 -1.79 120.40 117.75 2d90 s VAL 57 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2d90 s VAL 57 Cb -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2d90 s VAL 57 CO 0.02 0.26 0.00 0.59 0.00 0.00 0.00 175.10 175.96 2d90 n ASN 58 N 5.05 -5.04 0.00 3.32 3.02 0.71 -1.59 115.26 120.72 2d90 n ASN 58 Ca -0.09 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2d90 n ASN 58 Cb 0.50 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -0.96 0.47 3.18 7.41 0.00 -1.26 -5.03 105.19 109.01 2d90 n GLY 59 Ca -0.19 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.47 1.68 -0.06 1.61 -0.14 -0.62 -5.10 119.74 115.64 2d90 s LYS 60 Ca 0.00 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 2d90 s LYS 60 Cb 0.00 -1.56 -0.05 0.00 -1.68 0.00 0.00 37.83 34.53 2d90 s LYS 60 CO 0.00 0.37 1.66 -1.54 -0.76 0.00 0.00 175.35 175.07 2d90 s SER 61 N -0.30 6.65 -0.05 2.83 1.04 -1.26 -0.48 113.70 122.13 2d90 s SER 61 Ca 0.04 2.21 0.03 0.00 0.48 0.00 0.00 55.95 58.70 2d90 s SER 61 Cb -0.09 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2d90 s SER 61 CO 0.00 -0.95 -0.01 1.33 0.98 0.00 0.00 173.24 174.60 2d90 n VAL 62 N 5.53 0.30 -0.67 5.02 0.24 -1.15 -4.63 118.33 122.97 2d90 n VAL 62 Ca 0.17 -0.16 0.50 0.00 -2.04 0.00 0.00 64.34 62.82 2d90 n VAL 62 Cb 0.43 -0.82 0.78 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.34 -0.00 -0.05 7.34 0.00 -1.13 0.19 120.64 124.65 2d90 n GLU 63 Ca -0.08 1.04 -0.14 0.00 0.00 0.00 0.00 57.16 57.98 2d90 n GLU 63 Cb 0.62 -2.38 -0.07 0.00 0.00 0.00 0.00 31.44 29.61 2d90 n GLU 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d90 h ALA 64 N 0.98 0.23 -2.99 -1.84 0.00 -1.87 -3.20 119.26 110.58 2d90 h ALA 64 Ca 0.90 -0.42 -0.26 0.00 0.00 0.00 0.00 54.91 55.13 2d90 h ALA 64 Cb 3.57 -0.04 0.15 0.00 0.00 0.00 0.00 17.79 21.47 2d90 h ALA 64 CO -0.03 0.28 -0.11 1.28 0.00 0.00 0.00 179.25 180.67 2d90 n LEU 65 N -4.36 0.00 -4.82 0.00 4.77 0.52 -5.03 117.00 108.07 2d90 n LEU 65 Ca -0.07 -0.62 -0.27 0.00 -0.03 0.00 0.00 56.01 55.02 2d90 n LEU 65 Cb 0.49 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2d90 n LEU 65 CO 0.43 -2.41 -0.08 -1.81 -1.33 0.00 0.00 177.39 172.19 2d90 s ASP 66 N -2.82 4.47 0.15 -1.43 1.01 -1.26 -4.80 116.67 111.99 2d90 s ASP 66 Ca 0.47 -1.26 -0.16 0.00 0.71 0.00 0.00 52.55 52.31 2d90 s ASP 66 Cb -0.08 0.10 0.10 0.00 1.01 0.00 0.00 42.92 44.05 2d90 s ASP 66 CO 0.39 -0.85 1.13 1.57 0.21 0.00 0.00 175.17 177.62 2d90 n HIS 67 N -1.48 -0.10 0.41 4.23 -0.00 -1.26 -0.39 115.22 116.64 2d90 n HIS 67 Ca -0.05 0.90 -0.17 0.00 -0.00 0.00 0.00 57.72 58.40 2d90 n HIS 67 Cb 0.65 -0.70 -0.09 0.00 -0.00 0.00 0.00 29.99 29.86 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 -0.89 -0.79 0.26 1.82 -1.97 -1.53 116.42 113.32 2d90 h ASP 68 Ca 0.21 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 56.96 2d90 h ASP 68 Cb 0.39 0.23 -0.12 0.00 0.68 0.00 0.00 39.33 40.51 2d90 h ASP 68 CO -0.71 -0.56 -0.49 1.23 -1.61 0.00 0.00 179.24 177.10 2d90 h GLY 69 N -1.19 -0.54 0.17 -0.78 0.00 -1.21 0.39 103.07 99.90 2d90 h GLY 69 Ca -0.11 0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 2d90 h GLY 69 CO 0.18 -0.09 -0.09 -2.08 0.00 0.00 0.00 176.54 174.45 2d90 h VAL 70 N -0.12 0.00 -0.88 4.60 2.07 -0.75 -2.34 116.25 118.83 2d90 h VAL 70 Ca 0.20 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.97 2d90 h VAL 70 Cb 0.52 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2d90 h VAL 70 CO -0.83 0.00 0.98 0.58 0.02 0.00 0.00 177.57 178.32 2d90 h VAL 71 N -0.24 0.12 -0.00 2.57 2.07 -0.99 0.43 116.25 120.21 2d90 h VAL 71 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2d90 h VAL 71 Cb 0.19 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2d90 h VAL 71 CO 0.03 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 177.54 2d90 h GLU 72 N 0.00 0.01 -0.87 1.57 4.81 0.30 -3.12 114.58 117.27 2d90 h GLU 72 Ca 0.42 -0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.88 2d90 h GLU 72 Cb 2.38 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 31.62 2d90 h GLU 72 CO -0.00 0.46 0.21 0.52 -0.73 0.00 0.00 179.01 179.46 2d90 h MET 73 N -0.44 0.19 -0.95 1.92 2.86 0.23 0.44 114.93 119.17 2d90 h MET 73 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2d90 h MET 73 Cb 0.45 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 2d90 h MET 73 CO 0.00 0.13 0.61 0.82 1.06 0.00 0.00 176.91 179.53 2d90 h ILE 74 N 0.19 1.25 -0.85 -1.22 2.04 -1.54 0.46 117.51 117.84 2d90 h ILE 74 Ca 0.54 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2d90 h ILE 74 Cb 1.08 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2d90 h ILE 74 CO -0.66 0.25 0.48 0.03 0.00 0.00 0.00 178.15 178.25 2d90 h ARG 75 N 1.30 1.18 -0.01 2.37 3.08 -0.10 -2.51 114.38 119.68 2d90 h ARG 75 Ca 0.35 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 60.07 2d90 h ARG 75 Cb -0.12 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 2d90 h ARG 75 CO -0.07 0.85 -0.86 0.87 -1.07 0.00 0.00 179.97 179.69 2d90 h LYS 76 N 1.19 0.30 -1.01 0.04 1.57 -0.76 -3.20 116.57 114.70 2d90 h LYS 76 Ca 0.30 -0.30 0.28 0.00 -1.87 0.00 0.00 60.65 59.06 2d90 h LYS 76 Cb 0.01 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2d90 h LYS 76 CO -0.05 0.99 0.71 0.78 -0.57 0.00 0.00 179.45 181.31 2d90 h GLY 77 N 1.54 0.34 0.00 3.86 0.00 -0.46 -3.47 103.07 104.87 2d90 h GLY 77 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2d90 h GLY 77 CO 0.14 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.26 2d90 n GLY 78 N -1.66 -1.29 0.27 4.60 0.00 -1.21 -4.58 105.19 101.32 2d90 n GLY 78 Ca 0.22 -2.09 0.05 0.00 0.00 0.00 0.00 46.02 44.20 2d90 n GLY 78 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d90 h ASP 79 N 0.00 -0.07 -2.89 1.61 3.32 -1.90 -3.42 116.42 113.08 2d90 h ASP 79 Ca 0.00 0.16 -0.63 0.00 0.02 0.00 0.00 57.03 56.58 2d90 h ASP 79 Cb 0.00 0.23 -0.15 0.00 0.22 0.00 0.00 39.33 39.63 2d90 h ASP 79 CO 0.00 -0.07 -0.75 0.00 -1.72 0.00 0.00 179.24 176.70 2d90 s GLN 80 N -6.06 1.87 0.07 3.56 -2.07 -1.26 -0.29 119.66 115.48 2d90 s GLN 80 Ca -0.13 -1.42 -0.21 0.00 -1.82 0.00 0.00 55.36 51.78 2d90 s GLN 80 Cb 0.21 -2.01 0.05 0.00 -1.09 0.00 0.00 33.01 30.17 2d90 s GLN 80 CO 0.75 0.40 0.49 -0.08 -1.32 0.00 0.00 175.29 175.54 2d90 s THR 81 N -1.85 0.04 -0.16 3.63 -1.32 -0.70 -4.80 115.64 110.48 2d90 s THR 81 Ca 0.25 -0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.36 2d90 s THR 81 Cb -0.08 -1.01 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 2d90 s THR 81 CO 0.14 -0.17 0.04 -0.89 -2.21 0.00 0.00 174.62 171.53 2d90 s THR 82 N -2.80 4.59 0.22 5.08 2.01 -1.26 -2.43 115.64 121.05 2d90 s THR 82 Ca -0.03 -0.12 0.10 0.00 0.31 0.00 0.00 61.69 61.95 2d90 s THR 82 Cb -0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2d90 s THR 82 CO -0.05 0.50 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.50 2d90 s LEU 83 N 0.07 2.82 -0.26 4.42 1.43 0.85 -0.21 118.68 127.80 2d90 s LEU 83 Ca 0.04 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2d90 s LEU 83 Cb -0.12 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.73 2d90 s LEU 83 CO 0.01 0.07 0.06 -0.22 0.23 0.00 0.00 176.35 176.50 2d90 s LEU 84 N -3.12 1.84 0.14 1.79 2.96 -0.74 -0.13 118.68 121.43 2d90 s LEU 84 Ca 0.26 -1.27 0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2d90 s LEU 84 Cb -0.07 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 2d90 s LEU 84 CO 0.15 -0.35 -0.01 0.68 -1.32 0.00 0.00 176.35 175.50 2d90 s VAL 85 N 1.69 3.78 -0.02 1.68 -7.23 -1.03 -2.40 120.40 116.87 2d90 s VAL 85 Ca 0.04 -1.29 -0.10 0.00 -1.81 0.00 0.00 61.98 58.82 2d90 s VAL 85 Cb -0.17 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 2d90 s VAL 85 CO -0.17 -0.03 0.30 -0.76 -0.31 0.00 0.00 175.10 174.14 2d90 s LEU 86 N -2.71 4.41 -0.11 1.32 2.01 -1.00 -0.88 118.68 121.72 2d90 s LEU 86 Ca 0.26 0.71 -0.28 0.00 0.01 0.00 0.00 54.13 54.83 2d90 s LEU 86 Cb -0.10 -2.52 -0.25 0.00 0.01 0.00 0.00 46.19 43.34 2d90 s LEU 86 CO 0.18 0.31 0.88 0.44 1.01 0.00 0.00 176.35 179.18 2d90 h ASP 87 N 4.48 -0.00 0.12 2.29 3.32 -1.92 -3.20 116.42 121.51 2d90 h ASP 87 Ca -0.52 -0.88 0.02 0.00 0.02 0.00 0.00 57.03 55.67 2d90 h ASP 87 Cb 1.21 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 2d90 h ASP 87 CO 0.62 0.88 -0.37 0.50 -1.72 0.00 0.00 179.24 179.15 2d90 h LYS 88 N -0.88 -0.58 -1.79 3.56 3.11 -1.96 -1.96 116.57 116.08 2d90 h LYS 88 Ca -0.00 0.04 -0.31 0.00 -2.81 0.00 0.00 60.65 57.57 2d90 h LYS 88 Cb 0.88 0.13 -0.12 0.00 -1.00 0.00 0.00 32.23 32.12 2d90 h LYS 88 CO 0.00 -0.39 0.25 0.39 -2.81 0.00 0.00 179.45 176.89 2d90 n GLU 89 N -5.45 1.88 -0.11 1.90 -0.58 -1.26 -4.11 120.64 112.92 2d90 n GLU 89 Ca -0.07 -1.49 -0.20 0.00 -0.42 0.00 0.00 57.16 54.98 2d90 n GLU 89 Cb 0.36 -1.73 -0.09 0.00 -0.57 0.00 0.00 31.44 29.41 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 0.94 1.50 -2.63 0.62 0.00 -0.74 -4.11 120.51 116.10 2d90 n ALA 90 Ca 0.33 -0.94 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 2d90 n ALA 90 Cb 0.60 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 2d90 n ALA 90 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2d90 s GLU 91 N -2.44 3.31 -0.67 0.00 2.02 -1.26 -4.36 118.70 115.30 2d90 s GLU 91 Ca -0.31 -0.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.37 2d90 s GLU 91 Cb 0.10 -4.11 0.17 0.00 0.10 0.00 0.00 34.13 30.39 2d90 s GLU 91 CO 0.46 -1.82 0.59 0.45 0.02 0.00 0.00 175.26 174.96 2d90 s SER 92 N 3.30 6.23 0.17 -0.19 0.15 -1.26 -5.06 113.70 117.04 2d90 s SER 92 Ca 0.34 -2.39 -0.22 0.00 0.70 0.00 0.00 55.95 54.39 2d90 s SER 92 Cb -0.10 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 62.01 2d90 s SER 92 CO 0.18 -0.63 0.72 -0.63 1.20 0.00 0.00 173.24 174.09 2d90 s ILE 93 N 0.64 4.51 -0.04 6.45 -1.09 -1.26 -5.07 121.20 125.34 2d90 s ILE 93 Ca 0.12 1.46 -0.02 0.00 -2.23 0.00 0.00 60.65 59.99 2d90 s ILE 93 Cb -0.19 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 2d90 s ILE 93 CO -0.04 0.41 0.07 -0.72 -1.23 0.00 0.00 174.94 173.43 2d90 s TYR 94 N -1.28 3.30 -0.05 3.97 -0.85 -1.26 -5.11 117.35 116.07 2d90 s TYR 94 Ca 0.37 0.25 -0.30 0.00 -0.52 0.00 0.00 57.07 56.87 2d90 s TYR 94 Cb -0.20 -1.78 0.09 0.00 0.38 0.00 0.00 41.96 40.45 2d90 s TYR 94 CO 0.23 0.56 0.76 0.45 -1.52 0.00 0.00 175.55 176.03 2d90 s SER 95 N -1.46 -0.56 0.45 -0.18 0.15 -1.26 -5.15 113.70 105.69 2d90 s SER 95 Ca 0.20 0.51 -0.23 0.00 0.70 0.00 0.00 55.95 57.13 2d90 s SER 95 Cb -0.12 0.48 -0.10 0.00 -1.71 0.00 0.00 66.02 64.57 2d90 s SER 95 CO 0.10 -0.59 0.96 -0.11 1.20 0.00 0.00 173.24 174.80 2d90 n LEU 96 N 0.64 2.50 -4.22 3.45 0.00 -1.26 -4.99 117.00 113.12 2d90 n LEU 96 Ca -0.16 0.99 -0.33 0.00 0.00 0.00 0.00 56.01 56.51 2d90 n LEU 96 Cb 0.58 -1.34 -0.16 0.00 0.00 0.00 0.00 43.42 42.51 2d90 n LEU 96 CO 0.20 -1.68 -0.50 -0.94 0.00 0.00 0.00 177.39 174.47 2d90 s SER 97 N -0.83 3.47 0.36 1.96 1.04 -1.26 -4.94 113.70 113.51 2d90 s SER 97 Ca 0.65 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 56.46 2d90 s SER 97 Cb -0.54 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.08 2d90 s SER 97 CO 0.56 0.07 0.62 -0.83 0.98 0.00 0.00 173.24 174.64 2d90 s GLY 98 N 0.90 0.92 0.10 7.32 0.00 -1.26 -5.02 107.32 110.28 2d90 s GLY 98 Ca -0.04 -1.13 0.18 0.00 0.00 0.00 0.00 44.72 43.73 2d90 s GLY 98 CO -0.02 -0.66 1.55 -1.55 0.00 0.00 0.00 173.10 172.42 2d90 n PRO 99 N -0.54 0.07 -3.51 2.90 -0.04 -1.26 -4.80 135.00 127.82 2d90 n PRO 99 Ca -0.03 0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2d90 n PRO 99 Cb 0.61 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2d90 n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d90 s SER 100 N -3.46 -0.44 -0.28 3.54 0.01 -1.26 -5.11 113.70 106.70 2d90 s SER 100 Ca 0.06 -0.13 -0.36 0.00 1.31 0.00 0.00 55.95 56.83 2d90 s SER 100 Cb 0.09 0.55 -0.12 0.00 0.21 0.00 0.00 66.02 66.76 2d90 s SER 100 CO 0.31 -0.93 2.05 -1.20 0.41 0.00 0.00 173.24 173.88 2d90 n SER 101 N -0.32 2.46 0.00 2.44 7.64 -1.26 -5.05 113.62 119.53 2d90 n SER 101 Ca -0.16 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2d90 n SER 101 Cb 0.64 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2d90 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64