#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 2.16 0.38 1.61 0.01 -1.26 -5.14 113.70 111.46 2d90 s SER 2 Ca 0.00 -0.47 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 2d90 s SER 2 Cb 0.00 -0.32 -0.08 0.00 0.21 0.00 0.00 66.02 65.82 2d90 s SER 2 CO 0.00 -0.30 0.80 -0.44 0.41 0.00 0.00 173.24 173.70 2d90 s SER 3 N 2.06 6.70 0.00 2.44 0.01 -1.26 -4.88 113.70 118.77 2d90 s SER 3 Ca 0.02 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2d90 s SER 3 Cb -0.15 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2d90 s SER 3 CO -0.07 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2d90 n GLY 4 N -0.81 -0.07 3.73 3.44 0.00 -1.26 -5.15 105.19 105.07 2d90 n GLY 4 Ca 0.04 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 6.41 0.06 1.61 0.01 -1.26 -5.04 113.70 115.50 2d90 s SER 5 Ca 0.00 0.48 -0.30 0.00 1.31 0.00 0.00 55.95 57.44 2d90 s SER 5 Cb 0.00 -2.17 -0.09 0.00 0.21 0.00 0.00 66.02 63.97 2d90 s SER 5 CO 0.00 0.11 1.78 -0.94 0.41 0.00 0.00 173.24 174.59 2d90 s SER 6 N 0.46 6.52 0.00 2.44 1.04 -1.26 -4.66 113.70 118.24 2d90 s SER 6 Ca 0.16 2.58 0.00 0.00 0.48 0.00 0.00 55.95 59.17 2d90 s SER 6 Cb -0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2d90 s SER 6 CO 0.03 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2d90 n GLY 7 N 4.21 1.70 3.85 7.32 0.00 -1.26 -4.99 105.19 116.02 2d90 n GLY 7 Ca 0.17 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.30 3.96 0.02 1.61 1.04 0.30 -4.85 118.95 117.74 2d90 s ARG 8 Ca 0.00 0.55 -0.11 0.00 -1.04 0.00 0.00 55.73 55.13 2d90 s ARG 8 Cb 0.00 -2.57 -0.05 0.00 -2.04 0.00 0.00 34.95 30.28 2d90 s ARG 8 CO 0.00 0.25 0.36 0.08 -0.04 0.00 0.00 175.30 175.95 2d90 s VAL 9 N -1.85 5.14 0.23 4.99 1.01 -1.26 -0.45 120.40 128.21 2d90 s VAL 9 Ca 0.50 0.52 0.07 0.00 0.00 0.00 0.00 61.98 63.07 2d90 s VAL 9 Cb -0.11 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 2d90 s VAL 9 CO 0.19 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.93 2d90 s VAL 10 N -1.24 1.62 -0.03 2.92 1.01 0.57 -4.94 120.40 120.32 2d90 s VAL 10 Ca 0.27 -2.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.06 2d90 s VAL 10 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.02 2d90 s VAL 10 CO 0.15 -0.47 0.08 -0.69 0.00 0.00 0.00 175.10 174.17 2d90 s VAL 11 N -3.04 0.01 -0.00 2.92 1.01 -1.26 -0.48 120.40 119.55 2d90 s VAL 11 Ca 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 2d90 s VAL 11 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.25 2d90 s VAL 11 CO 0.09 -0.04 0.13 -0.63 0.00 0.00 0.00 175.10 174.64 2d90 s ILE 12 N -0.10 0.08 -0.20 2.22 1.01 -0.32 -4.57 121.20 119.32 2d90 s ILE 12 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2d90 s ILE 12 Cb -0.01 -0.40 0.05 0.00 0.01 0.00 0.00 42.46 42.11 2d90 s ILE 12 CO 0.00 -0.35 -0.07 -0.54 0.00 0.00 0.00 174.94 173.98 2d90 s LYS 13 N -1.24 1.70 0.28 2.79 3.01 -1.26 -0.78 119.74 124.24 2d90 s LYS 13 Ca -0.13 -0.78 -0.16 0.00 -1.01 0.00 0.00 55.97 53.89 2d90 s LYS 13 Cb -0.07 -2.35 -0.11 0.00 -1.01 0.00 0.00 37.83 34.29 2d90 s LYS 13 CO 0.01 -0.49 0.09 1.17 0.51 0.00 0.00 175.35 176.65 2d90 n LYS 14 N 4.74 0.00 0.00 1.68 4.81 0.13 -4.83 118.16 124.69 2d90 n LYS 14 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 2d90 n LYS 14 Cb 0.46 -0.73 0.00 0.00 0.02 0.00 0.00 35.03 34.79 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 1.67 1.43 0.47 3.14 0.00 -0.58 -5.00 105.19 106.33 2d90 n GLY 15 Ca 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 1.72 -2.47 1.61 2.88 -1.26 -4.74 113.62 111.36 2d90 n SER 16 Ca 0.00 0.04 -0.33 0.00 -1.33 0.00 0.00 58.87 57.25 2d90 n SER 16 Cb 0.00 -0.17 0.04 0.00 -0.75 0.00 0.00 64.21 63.33 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 -3.08 6.66 0.00 -3.46 3.02 -1.26 -5.04 115.26 112.10 2d90 n ASN 17 Ca -0.14 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.63 2d90 n ASN 17 Cb 0.61 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.70 0.61 0.24 7.41 0.00 -1.26 -4.41 105.19 107.09 2d90 n GLY 18 Ca 0.53 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 9.79 0.00 0.00 1.61 4.01 -1.26 -1.52 117.16 129.78 2d90 n TYR 19 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2d90 n TYR 19 Cb 0.00 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 2d90 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d90 n GLY 20 N 1.75 1.27 3.57 2.72 0.00 -1.26 -1.86 105.19 111.39 2d90 n GLY 20 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.86 -0.84 0.20 1.61 -0.71 -1.26 -3.09 117.98 112.04 2d90 s PHE 21 Ca 0.00 1.87 0.07 0.00 -1.04 0.00 0.00 56.93 57.83 2d90 s PHE 21 Cb 0.00 0.39 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 2d90 s PHE 21 CO 0.00 -0.41 0.05 0.71 -1.34 0.00 0.00 175.22 174.23 2d90 s TYR 22 N 0.89 2.91 0.26 3.49 2.02 -1.18 -5.00 117.35 120.74 2d90 s TYR 22 Ca -0.04 -0.13 0.10 0.00 -0.37 0.00 0.00 57.07 56.63 2d90 s TYR 22 Cb -0.05 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 2d90 s TYR 22 CO -0.08 0.54 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.92 2d90 s LEU 23 N -3.25 3.17 -0.18 -1.29 1.43 -1.26 -2.79 118.68 114.51 2d90 s LEU 23 Ca 0.30 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 2d90 s LEU 23 Cb -0.09 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.49 2d90 s LEU 23 CO 0.21 0.01 0.51 -0.60 0.23 0.00 0.00 176.35 176.71 2d90 s ARG 24 N -3.64 0.63 -0.19 1.70 3.52 -0.50 -4.94 118.95 115.52 2d90 s ARG 24 Ca 0.31 0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 56.27 2d90 s ARG 24 Cb -0.06 0.30 -0.06 0.00 -1.56 0.00 0.00 34.95 33.57 2d90 s ARG 24 CO 0.20 -0.09 2.19 0.00 -0.81 0.00 0.00 175.30 176.79 2d90 n ALA 25 N 2.63 1.72 -1.92 6.12 0.00 -1.26 -2.02 120.51 125.79 2d90 n ALA 25 Ca -0.14 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2d90 n ALA 25 Cb 0.56 -2.87 0.12 0.00 0.00 0.00 0.00 19.45 17.26 2d90 n ALA 25 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2d90 s GLY 26 N 7.78 1.67 0.00 0.00 0.00 -1.26 -4.93 107.32 110.58 2d90 s GLY 26 Ca 1.00 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2d90 s GLY 26 CO 0.37 -0.30 0.00 -1.55 0.00 0.00 0.00 173.10 171.62 2d90 n PRO 27 N -3.42 -0.50 -0.61 2.90 -0.04 -1.26 -4.76 135.00 127.30 2d90 n PRO 27 Ca 0.11 0.00 0.47 0.00 -0.04 0.00 0.00 63.50 64.03 2d90 n PRO 27 Cb 0.60 0.00 0.73 0.00 -0.04 0.00 0.00 33.50 34.79 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 -1.12 -0.01 -1.76 0.54 -0.58 -1.26 -4.25 120.64 112.20 2d90 n GLU 28 Ca 0.00 1.02 -0.43 0.00 -0.42 0.00 0.00 57.16 57.34 2d90 n GLU 28 Cb 0.00 -2.29 -0.03 0.00 -0.57 0.00 0.00 31.44 28.55 2d90 n GLU 28 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2d90 s GLN 29 N -4.78 3.72 0.24 3.49 -2.07 -1.26 -4.92 119.66 114.08 2d90 s GLN 29 Ca -0.05 2.19 -0.31 0.00 -1.82 0.00 0.00 55.36 55.37 2d90 s GLN 29 Cb 0.25 -4.20 -0.11 0.00 -1.09 0.00 0.00 33.01 27.86 2d90 s GLN 29 CO 0.81 -1.42 1.65 0.15 -1.32 0.00 0.00 175.29 175.15 2d90 s LYS 30 N 5.14 4.14 0.00 9.60 -0.14 -1.26 -4.77 119.74 132.45 2d90 s LYS 30 Ca 0.88 2.56 0.00 0.00 -1.36 0.00 0.00 55.97 58.05 2d90 s LYS 30 Cb -0.35 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 2d90 s LYS 30 CO 0.36 -0.68 0.00 0.41 -0.76 0.00 0.00 175.35 174.68 2d90 n GLY 31 N 3.23 3.69 3.86 -3.33 0.00 -1.22 -4.82 105.19 106.61 2d90 n GLY 31 Ca 0.13 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.02 3.93 -0.06 1.61 -1.52 -1.10 -4.02 119.66 114.47 2d90 s GLN 32 Ca 0.00 0.56 -0.01 0.00 -1.95 0.00 0.00 55.36 53.96 2d90 s GLN 32 Cb 0.00 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 30.30 2d90 s GLN 32 CO 0.00 0.15 0.01 0.42 -0.25 0.00 0.00 175.29 175.62 2d90 s ILE 33 N -2.03 4.33 0.19 1.08 1.01 -0.85 -1.24 121.20 123.69 2d90 s ILE 33 Ca 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.84 2d90 s ILE 33 Cb -0.10 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 2d90 s ILE 33 CO 0.20 0.55 0.39 -0.63 0.00 0.00 0.00 174.94 175.45 2d90 s ILE 34 N -0.95 5.20 0.04 2.92 1.01 -0.24 -1.42 121.20 127.76 2d90 s ILE 34 Ca 0.15 -0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 2d90 s ILE 34 Cb -0.11 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.75 2d90 s ILE 34 CO 0.05 -0.12 1.20 -1.59 0.00 0.00 0.00 174.94 174.47 2d90 s LYS 35 N -3.15 0.67 -1.39 2.79 -2.85 -1.12 0.01 119.74 114.69 2d90 s LYS 35 Ca 0.39 -0.40 -0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2d90 s LYS 35 Cb -0.11 0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2d90 s LYS 35 CO 0.28 -0.31 0.48 -0.25 0.10 0.00 0.00 175.35 175.66 2d90 n ASP 36 N -0.76 -0.56 -4.73 0.03 9.92 -1.26 -3.08 116.55 116.11 2d90 n ASP 36 Ca -0.04 -0.97 -0.41 0.00 -0.53 0.00 0.00 54.79 52.84 2d90 n ASP 36 Cb 0.61 -3.27 -0.03 0.00 -0.64 0.00 0.00 41.12 37.79 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 -3.89 3.44 0.32 0.53 1.01 -1.26 -4.55 121.20 116.81 2d90 s ILE 37 Ca 0.02 1.16 -0.27 0.00 0.00 0.00 0.00 60.65 61.56 2d90 s ILE 37 Cb -0.01 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 2d90 s ILE 37 CO 0.87 0.16 0.98 -1.61 0.00 0.00 0.00 174.94 175.34 2d90 s GLU 38 N 0.11 4.55 0.51 2.79 0.41 -1.18 -5.03 118.70 120.86 2d90 s GLU 38 Ca 0.56 1.43 -0.21 0.00 -0.41 0.00 0.00 54.97 56.35 2d90 s GLU 38 Cb -0.34 -2.86 -0.07 0.00 -1.78 0.00 0.00 34.13 29.08 2d90 s GLU 38 CO 0.36 0.23 1.15 -1.25 -0.49 0.00 0.00 175.26 175.25 2d90 s PRO 39 N -1.95 3.54 -1.49 0.39 0.04 -1.26 -3.35 135.00 130.91 2d90 s PRO 39 Ca 0.50 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.05 2d90 s PRO 39 Cb -0.22 -2.19 0.15 0.00 0.04 0.00 0.00 34.50 32.29 2d90 s PRO 39 CO 0.27 -0.71 0.57 0.41 0.04 0.00 0.00 177.00 177.58 2d90 n GLY 40 N 0.29 -0.44 3.73 0.56 0.00 -1.26 -4.92 105.19 103.14 2d90 n GLY 40 Ca 0.10 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.01 5.19 0.60 1.61 1.04 -1.21 -4.96 113.70 112.95 2d90 s SER 41 Ca 0.63 -0.21 0.28 0.00 0.48 0.00 0.00 55.95 57.13 2d90 s SER 41 Cb -0.35 -1.26 1.28 0.00 0.10 0.00 0.00 66.02 65.78 2d90 s SER 41 CO 0.77 0.11 1.68 -0.65 0.98 0.00 0.00 173.24 176.13 2d90 h PRO 42 N 2.80 0.00 -0.04 4.02 0.11 -1.81 0.25 132.00 137.33 2d90 h PRO 42 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2d90 h PRO 42 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 2d90 h PRO 42 CO 0.61 0.00 -0.54 0.00 -0.21 0.00 0.00 178.00 177.86 2d90 h ALA 43 N 1.11 0.12 -0.05 -0.75 0.00 -1.59 -2.37 119.26 115.71 2d90 h ALA 43 Ca 0.29 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2d90 h ALA 43 Cb 1.76 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2d90 h ALA 43 CO -0.00 0.34 -0.76 1.49 0.00 0.00 0.00 179.25 180.32 2d90 h GLU 44 N -0.05 0.34 0.00 0.00 4.81 -0.84 -2.91 114.58 115.93 2d90 h GLU 44 Ca -0.06 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 58.83 2d90 h GLU 44 Cb 1.23 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2d90 h GLU 44 CO 0.11 0.95 -0.21 0.00 -0.73 0.00 0.00 179.01 179.13 2d90 h ALA 45 N 0.96 1.00 -0.05 2.92 0.00 -1.09 -2.96 119.26 120.05 2d90 h ALA 45 Ca -0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2d90 h ALA 45 Cb 1.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2d90 h ALA 45 CO 0.13 0.27 -0.61 0.00 0.00 0.00 0.00 179.25 179.03 2d90 h ALA 46 N 1.79 0.89 0.00 0.00 0.00 -1.32 -3.47 119.26 117.15 2d90 h ALA 46 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2d90 h ALA 46 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2d90 h ALA 46 CO 0.03 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.43 2d90 n GLY 47 N 0.26 1.14 1.67 0.00 0.00 -1.12 -4.73 105.19 102.41 2d90 n GLY 47 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.11 -5.06 117.00 112.95 2d90 n LEU 48 Ca 0.00 -0.33 -0.05 0.00 -0.03 0.00 0.00 56.01 55.60 2d90 n LEU 48 Cb 0.00 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 2d90 n LEU 48 CO 0.00 -2.02 0.63 -0.54 -1.33 0.00 0.00 177.39 174.13 2d90 s LYS 49 N -3.16 0.48 0.25 3.23 1.02 -1.26 -4.95 119.74 115.34 2d90 s LYS 49 Ca 0.25 0.74 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 2d90 s LYS 49 Cb -0.04 0.14 -0.14 0.00 -0.52 0.00 0.00 37.83 37.26 2d90 s LYS 49 CO 0.21 -0.09 1.13 0.09 -0.92 0.00 0.00 175.35 175.77 2d90 n ASN 50 N 3.41 1.60 -1.11 2.83 4.13 -1.26 -2.13 115.26 122.72 2d90 n ASN 50 Ca -0.17 1.16 -0.07 0.00 1.68 0.00 0.00 54.58 57.19 2d90 n ASN 50 Cb 0.57 -1.30 0.01 0.00 -1.54 0.00 0.00 39.78 37.53 2d90 n ASN 50 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2d90 n ASN 51 N 1.57 -2.93 -4.73 6.41 5.03 0.10 -4.98 115.26 115.73 2d90 n ASN 51 Ca 0.11 -0.10 -0.39 0.00 0.87 0.00 0.00 54.58 55.08 2d90 n ASN 51 Cb 0.30 -1.79 -0.05 0.00 -1.02 0.00 0.00 39.78 37.22 2d90 n ASN 51 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2d90 s ASP 52 N -2.95 6.92 -0.41 6.41 1.11 -0.91 -4.72 116.67 122.14 2d90 s ASP 52 Ca 0.10 1.11 -0.15 0.00 0.18 0.00 0.00 52.55 53.79 2d90 s ASP 52 Cb -0.05 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.59 2d90 s ASP 52 CO 0.13 -0.04 0.32 -0.22 1.18 0.00 0.00 175.17 176.54 2d90 s LEU 53 N 0.53 5.00 -0.15 1.23 2.96 -1.26 -1.08 118.68 125.91 2d90 s LEU 53 Ca 0.34 -0.80 -0.18 0.00 -0.22 0.00 0.00 54.13 53.26 2d90 s LEU 53 Cb -0.17 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 2d90 s LEU 53 CO 0.16 -0.46 0.49 -0.69 -1.32 0.00 0.00 176.35 174.54 2d90 s VAL 54 N 1.78 5.16 -0.09 1.68 1.01 -0.37 -0.45 120.40 129.11 2d90 s VAL 54 Ca 0.07 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.08 2d90 s VAL 54 Cb -0.18 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 2d90 s VAL 54 CO 0.11 0.28 0.22 1.33 0.00 0.00 0.00 175.10 177.03 2d90 n VAL 55 N 3.97 0.00 -3.83 2.92 0.24 -0.54 -2.71 118.33 118.39 2d90 n VAL 55 Ca -0.06 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 61.90 2d90 n VAL 55 Cb 0.51 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.24 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 -2.41 -0.48 -0.15 2.33 0.00 -1.21 -2.34 121.76 117.49 2d90 s ALA 56 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2d90 s ALA 56 Cb 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2d90 s ALA 56 CO 0.35 -0.19 -0.03 0.08 0.00 0.00 0.00 175.76 175.97 2d90 s VAL 57 N -0.94 0.89 -1.49 0.00 1.01 0.47 -0.89 120.40 119.44 2d90 s VAL 57 Ca -0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2d90 s VAL 57 Cb -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2d90 s VAL 57 CO 0.02 0.11 0.01 0.59 0.00 0.00 0.00 175.10 175.83 2d90 n ASN 58 N 4.95 -5.12 -0.42 3.32 4.13 -0.44 -2.40 115.26 119.29 2d90 n ASN 58 Ca -0.11 -0.02 -0.01 0.00 1.68 0.00 0.00 54.58 56.12 2d90 n ASN 58 Cb 0.48 -4.20 0.00 0.00 -1.54 0.00 0.00 39.78 34.52 2d90 n ASN 58 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d90 n GLY 59 N -1.02 0.65 2.96 7.41 0.00 -1.26 -5.03 105.19 108.90 2d90 n GLY 59 Ca -0.21 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.63 0.12 0.17 1.61 -0.14 -1.01 -5.13 119.74 110.73 2d90 s LYS 60 Ca 0.02 0.29 -0.32 0.00 -1.36 0.00 0.00 55.97 54.60 2d90 s LYS 60 Cb -0.01 -0.07 -0.11 0.00 -1.68 0.00 0.00 37.83 35.97 2d90 s LYS 60 CO 0.02 -0.10 1.70 -1.54 -0.76 0.00 0.00 175.35 174.67 2d90 s SER 61 N 0.67 6.46 0.00 2.83 1.04 -1.26 -0.40 113.70 123.05 2d90 s SER 61 Ca -0.05 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.12 2d90 s SER 61 Cb -0.07 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2d90 s SER 61 CO -0.03 -0.93 0.00 1.33 0.98 0.00 0.00 173.24 174.59 2d90 n VAL 62 N 4.21 0.00 -0.04 5.02 0.24 -0.99 -4.73 118.33 122.04 2d90 n VAL 62 Ca 0.16 0.00 0.21 0.00 -2.04 0.00 0.00 64.34 62.66 2d90 n VAL 62 Cb 0.37 -0.50 0.41 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.17 7.34 9.09 -1.75 1.12 114.58 130.56 2d90 h GLU 63 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 2d90 h GLU 63 Cb 0.53 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.66 2d90 h GLU 63 CO 0.00 0.00 -1.15 0.00 0.05 0.00 0.00 179.01 177.91 2d90 h ALA 64 N 0.58 -0.06 -1.92 1.06 0.00 -1.88 -3.23 119.26 113.81 2d90 h ALA 64 Ca 0.33 -0.83 -0.38 0.00 0.00 0.00 0.00 54.91 54.03 2d90 h ALA 64 Cb 2.39 0.20 0.21 0.00 0.00 0.00 0.00 17.79 20.59 2d90 h ALA 64 CO -0.00 0.57 -0.21 1.28 0.00 0.00 0.00 179.25 180.89 2d90 n LEU 65 N -3.95 -1.06 -4.93 0.00 4.77 0.39 -5.04 117.00 107.17 2d90 n LEU 65 Ca -0.17 -0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 55.04 2d90 n LEU 65 Cb 0.93 -1.05 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2d90 n LEU 65 CO 0.51 -4.00 0.08 -1.81 -1.33 0.00 0.00 177.39 170.84 2d90 s ASP 66 N -2.66 5.22 0.19 -1.43 1.01 -1.26 -4.80 116.67 112.95 2d90 s ASP 66 Ca 0.64 -0.68 -0.10 0.00 0.71 0.00 0.00 52.55 53.12 2d90 s ASP 66 Cb -0.16 -0.46 0.26 0.00 1.01 0.00 0.00 42.92 43.58 2d90 s ASP 66 CO 0.58 -0.78 1.16 1.57 0.21 0.00 0.00 175.17 177.91 2d90 n HIS 67 N -1.72 0.15 0.31 4.23 -0.00 -1.26 -0.15 115.22 116.78 2d90 n HIS 67 Ca 0.06 0.92 -0.16 0.00 0.46 0.00 0.00 57.72 59.00 2d90 n HIS 67 Cb 0.61 -0.86 -0.08 0.00 -0.12 0.00 0.00 29.99 29.54 2d90 n HIS 67 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 2d90 h ASP 68 N 0.00 -0.67 -0.85 0.26 5.19 -1.98 -2.22 116.42 116.13 2d90 h ASP 68 Ca 0.31 -0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.78 2d90 h ASP 68 Cb 0.50 0.17 -0.12 0.00 0.18 0.00 0.00 39.33 40.06 2d90 h ASP 68 CO -0.76 -0.36 -0.53 1.23 -3.12 0.00 0.00 179.24 175.71 2d90 h GLY 69 N -1.00 -0.67 0.49 2.75 0.00 -0.90 0.31 103.07 104.06 2d90 h GLY 69 Ca -0.08 0.71 -0.02 0.00 0.00 0.00 0.00 47.33 47.94 2d90 h GLY 69 CO 0.13 -0.04 -0.42 -2.08 0.00 0.00 0.00 176.54 174.13 2d90 h VAL 70 N -0.09 0.00 -1.08 4.60 2.07 -1.18 -2.17 116.25 118.39 2d90 h VAL 70 Ca 0.18 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.02 2d90 h VAL 70 Cb 0.49 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.13 2d90 h VAL 70 CO -0.86 0.00 0.66 0.58 0.02 0.00 0.00 177.57 177.97 2d90 h VAL 71 N -0.89 0.35 0.51 2.57 2.07 -0.74 0.09 116.25 120.21 2d90 h VAL 71 Ca -0.06 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2d90 h VAL 71 Cb 0.75 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2d90 h VAL 71 CO -0.01 0.06 -0.25 -0.08 0.02 0.00 0.00 177.57 177.31 2d90 h GLU 72 N 0.32 -0.66 -0.50 1.57 4.81 0.17 -2.80 114.58 117.49 2d90 h GLU 72 Ca 0.71 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 60.08 2d90 h GLU 72 Cb 1.78 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 31.21 2d90 h GLU 72 CO -0.46 -0.42 -0.29 0.52 -0.73 0.00 0.00 179.01 177.62 2d90 h MET 73 N -0.73 -0.17 -0.83 1.92 2.86 -0.39 0.69 114.93 118.29 2d90 h MET 73 Ca -0.07 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.78 2d90 h MET 73 Cb 0.55 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.12 2d90 h MET 73 CO 0.12 -0.11 0.30 0.82 1.06 0.00 0.00 176.91 179.10 2d90 h ILE 74 N -0.17 0.49 -0.12 -1.22 2.04 -1.38 0.40 117.51 117.55 2d90 h ILE 74 Ca 0.22 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 2d90 h ILE 74 Cb 0.52 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2d90 h ILE 74 CO -0.60 0.06 -0.30 0.03 0.00 0.00 0.00 178.15 177.35 2d90 h ARG 75 N 0.35 0.22 -0.73 2.37 3.08 -0.65 -2.79 114.38 116.23 2d90 h ARG 75 Ca 0.50 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.46 2d90 h ARG 75 Cb 0.91 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 2d90 h ARG 75 CO -0.52 0.50 0.40 0.87 -1.07 0.00 0.00 179.97 180.15 2d90 h LYS 76 N 0.20 1.01 -1.11 0.04 1.79 0.11 -2.30 116.57 116.30 2d90 h LYS 76 Ca 0.03 -0.11 0.31 0.00 -2.18 0.00 0.00 60.65 58.70 2d90 h LYS 76 Cb 0.63 -0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 2d90 h LYS 76 CO 0.05 0.73 0.77 0.78 -1.08 0.00 0.00 179.45 180.70 2d90 h GLY 77 N 1.06 0.39 0.00 3.86 0.00 -1.15 -3.47 103.07 103.76 2d90 h GLY 77 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2d90 h GLY 77 CO -0.04 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.06 2d90 n GLY 78 N -1.67 -0.35 0.27 4.60 0.00 -0.87 -4.27 105.19 102.91 2d90 n GLY 78 Ca 0.25 -1.42 0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 0.54 -0.39 -4.40 1.61 9.92 -1.26 -4.36 116.55 118.22 2d90 n ASP 79 Ca 0.00 1.27 -0.27 0.00 -0.53 0.00 0.00 54.79 55.26 2d90 n ASP 79 Cb 0.00 -0.33 -0.12 0.00 -0.64 0.00 0.00 41.12 40.03 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 -5.79 1.44 0.01 -1.24 -2.07 -1.26 0.17 119.66 110.92 2d90 s GLN 80 Ca -0.10 -1.43 -0.05 0.00 -1.82 0.00 0.00 55.36 51.95 2d90 s GLN 80 Cb 0.17 -1.83 -0.01 0.00 -1.09 0.00 0.00 33.01 30.25 2d90 s GLN 80 CO 0.54 0.41 0.08 -0.08 -1.32 0.00 0.00 175.29 174.93 2d90 s THR 81 N -1.40 0.10 -0.16 3.63 -1.32 0.04 -4.57 115.64 111.96 2d90 s THR 81 Ca 0.17 -0.80 -0.05 0.00 -1.21 0.00 0.00 61.69 59.80 2d90 s THR 81 Cb -0.09 -0.44 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 2d90 s THR 81 CO 0.08 -0.44 0.02 -0.89 -2.21 0.00 0.00 174.62 171.18 2d90 s THR 82 N -1.55 4.41 -0.13 5.08 2.01 -1.26 -1.17 115.64 123.03 2d90 s THR 82 Ca -0.14 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2d90 s THR 82 Cb -0.08 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.50 2d90 s THR 82 CO 0.00 0.50 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.46 2d90 s LEU 83 N 0.13 2.04 -0.42 4.42 1.43 0.36 -1.32 118.68 125.31 2d90 s LEU 83 Ca 0.02 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2d90 s LEU 83 Cb -0.13 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 44.77 2d90 s LEU 83 CO 0.02 0.07 0.28 -0.22 0.23 0.00 0.00 176.35 176.73 2d90 s LEU 84 N 0.83 5.15 0.26 1.79 0.20 -0.07 0.21 118.68 127.05 2d90 s LEU 84 Ca -0.07 -1.25 0.08 0.00 0.69 0.00 0.00 54.13 53.58 2d90 s LEU 84 Cb -0.15 -2.07 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 2d90 s LEU 84 CO -0.01 -0.51 0.09 0.68 -0.29 0.00 0.00 176.35 176.30 2d90 s VAL 85 N 1.55 3.82 0.00 1.68 -7.23 0.40 -1.46 120.40 119.16 2d90 s VAL 85 Ca 0.03 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 2d90 s VAL 85 Cb -0.22 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 2d90 s VAL 85 CO 0.05 -0.35 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.18 2d90 s LEU 86 N -3.75 3.06 -0.09 1.32 0.20 0.40 0.11 118.68 119.93 2d90 s LEU 86 Ca 0.32 -0.18 -0.03 0.00 0.69 0.00 0.00 54.13 54.93 2d90 s LEU 86 Cb -0.07 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2d90 s LEU 86 CO 0.22 0.29 -0.10 0.47 -0.29 0.00 0.00 176.35 176.94 2d90 n ASP 87 N 1.63 1.68 -0.11 3.68 8.00 -1.26 -4.21 116.55 125.96 2d90 n ASP 87 Ca -0.16 0.05 -0.03 0.00 0.71 0.00 0.00 54.79 55.36 2d90 n ASP 87 Cb 0.52 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2d90 n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2d90 n LYS 88 N -3.15 -0.11 -3.59 -1.24 4.76 -1.26 -2.92 118.16 110.65 2d90 n LYS 88 Ca -0.17 0.84 -0.27 0.00 -2.87 0.00 0.00 58.31 55.84 2d90 n LYS 88 Cb 0.64 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 2d90 n LYS 88 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2d90 n GLU 89 N -3.50 1.77 -0.09 1.97 0.28 -1.26 -4.87 120.64 114.94 2d90 n GLU 89 Ca 0.01 -4.27 -0.17 0.00 -0.16 0.00 0.00 57.16 52.57 2d90 n GLU 89 Cb 0.07 -2.09 -0.06 0.00 1.43 0.00 0.00 31.44 30.79 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 1.60 1.64 -1.80 -1.84 0.00 -1.15 -4.99 120.51 113.97 2d90 n ALA 90 Ca 0.25 -0.74 -0.40 0.00 0.00 0.00 0.00 53.44 52.55 2d90 n ALA 90 Cb 0.41 0.20 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 2d90 n ALA 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2d90 s GLU 91 N -2.45 4.55 -0.25 0.00 -1.05 -1.26 -4.91 118.70 113.34 2d90 s GLU 91 Ca -0.26 1.91 -0.12 0.00 -0.15 0.00 0.00 54.97 56.35 2d90 s GLU 91 Cb 0.09 -3.17 -0.05 0.00 -0.44 0.00 0.00 34.13 30.56 2d90 s GLU 91 CO 0.34 0.08 0.25 -1.12 0.95 0.00 0.00 175.26 175.76 2d90 s SER 92 N -0.64 6.17 0.28 0.83 0.01 -1.26 -5.04 113.70 114.04 2d90 s SER 92 Ca 0.47 0.18 -0.26 0.00 1.31 0.00 0.00 55.95 57.65 2d90 s SER 92 Cb -0.34 -2.15 -0.16 0.00 0.21 0.00 0.00 66.02 63.58 2d90 s SER 92 CO 0.43 -0.04 0.43 -0.38 0.41 0.00 0.00 173.24 174.09 2d90 n ILE 93 N 4.68 1.59 -1.74 1.44 2.08 -1.26 -4.79 119.36 121.37 2d90 n ILE 93 Ca -0.12 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.27 2d90 n ILE 93 Cb 0.52 -0.10 -0.02 0.00 -0.75 0.00 0.00 39.64 39.28 2d90 n ILE 93 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 2d90 s TYR 94 N -1.23 2.85 -0.60 1.39 2.02 -1.26 -4.96 117.35 115.55 2d90 s TYR 94 Ca 0.62 0.49 0.04 0.00 -0.37 0.00 0.00 57.07 57.85 2d90 s TYR 94 Cb -0.81 -4.12 0.17 0.00 -0.40 0.00 0.00 41.96 36.79 2d90 s TYR 94 CO 0.58 -4.10 0.42 0.45 -1.57 0.00 0.00 175.55 171.34 2d90 s SER 95 N 0.95 3.82 0.10 2.29 0.15 -1.26 -5.09 113.70 114.65 2d90 s SER 95 Ca 0.71 -3.52 -0.31 0.00 0.70 0.00 0.00 55.95 53.53 2d90 s SER 95 Cb -0.49 -1.27 -0.08 0.00 -1.71 0.00 0.00 66.02 62.46 2d90 s SER 95 CO 0.38 -0.13 1.53 -0.22 1.20 0.00 0.00 173.24 176.00 2d90 s LEU 96 N -0.87 4.36 -0.00 3.45 2.96 -1.26 -5.01 118.68 122.30 2d90 s LEU 96 Ca 0.26 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.63 2d90 s LEU 96 Cb -0.05 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 2d90 s LEU 96 CO -0.16 -0.79 -0.08 -0.44 -1.32 0.00 0.00 176.35 173.56 2d90 s SER 97 N 1.68 0.94 -0.31 3.68 0.01 -1.26 -5.09 113.70 113.34 2d90 s SER 97 Ca 0.69 -0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.70 2d90 s SER 97 Cb -0.39 -0.10 0.20 0.00 0.21 0.00 0.00 66.02 65.94 2d90 s SER 97 CO 0.31 0.09 1.14 -0.83 0.41 0.00 0.00 173.24 174.35 2d90 s GLY 98 N -0.23 -1.83 0.23 3.44 0.00 -1.26 -5.15 107.32 102.52 2d90 s GLY 98 Ca 0.03 1.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 2d90 s GLY 98 CO -0.00 4.41 1.28 2.56 0.00 0.00 0.00 173.10 181.35 2d90 s PRO 99 N 1.44 4.41 -0.24 2.90 0.04 -1.26 -4.97 135.00 137.33 2d90 s PRO 99 Ca 0.19 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.09 2d90 s PRO 99 Cb 0.10 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.30 2d90 s PRO 99 CO -0.14 -0.19 -0.03 0.45 0.04 0.00 0.00 177.00 177.14 2d90 n SER 100 N 2.17 1.90 -4.57 6.66 2.88 -1.26 -4.71 113.62 116.70 2d90 n SER 100 Ca 0.04 0.38 -0.39 0.00 -1.33 0.00 0.00 58.87 57.58 2d90 n SER 100 Cb 0.43 -0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 2d90 n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d90 s SER 101 N -7.13 6.33 0.00 -3.46 0.01 -1.26 -5.39 113.70 102.81 2d90 s SER 101 Ca -0.33 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.22 2d90 s SER 101 Cb 0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2d90 s SER 101 CO 0.55 -1.67 0.01 0.61 0.41 0.00 0.00 173.24 173.15