#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 5.59 -0.49 1.61 0.01 -1.26 -5.03 113.70 114.14 2d90 s SER 2 Ca 0.00 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.12 2d90 s SER 2 Cb 0.00 -1.97 0.14 0.00 0.21 0.00 0.00 66.02 64.39 2d90 s SER 2 CO 0.00 -0.41 0.26 -0.44 0.41 0.00 0.00 173.24 173.06 2d90 s SER 3 N 1.66 3.99 -0.91 2.44 0.01 -1.26 -5.04 113.70 114.59 2d90 s SER 3 Ca 0.01 -2.88 -0.07 0.00 1.31 0.00 0.00 55.95 54.32 2d90 s SER 3 Cb -0.20 -1.34 0.23 0.00 0.21 0.00 0.00 66.02 64.91 2d90 s SER 3 CO 0.04 -0.24 0.83 -0.83 0.41 0.00 0.00 173.24 173.46 2d90 s GLY 4 N -0.05 2.96 0.30 3.44 0.00 -1.26 -4.92 107.32 107.79 2d90 s GLY 4 Ca 0.18 -3.65 0.00 0.00 0.00 0.00 0.00 44.72 41.25 2d90 s GLY 4 CO -0.01 1.24 1.57 1.76 0.00 0.00 0.00 173.10 177.66 2d90 h SER 5 N 6.73 -0.51 -3.18 1.64 0.02 -2.04 -3.35 113.55 112.85 2d90 h SER 5 Ca 0.13 0.28 -0.59 0.00 -0.84 0.00 0.00 61.79 60.77 2d90 h SER 5 Cb 0.90 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.86 2d90 h SER 5 CO 0.86 -0.34 0.63 -0.55 -1.14 0.00 0.00 176.83 176.29 2d90 s SER 6 N -5.04 6.97 0.00 3.07 0.15 -1.26 -4.72 113.70 112.87 2d90 s SER 6 Ca -0.13 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2d90 s SER 6 Cb 0.29 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2d90 s SER 6 CO 0.78 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2d90 n GLY 7 N 3.52 -2.70 3.91 9.45 0.00 -1.26 -5.05 105.19 113.07 2d90 n GLY 7 Ca 0.09 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 2d90 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d90 s ARG 8 N -2.70 3.56 -0.18 1.61 1.70 -0.26 -4.83 118.95 117.85 2d90 s ARG 8 Ca 0.00 0.16 -0.03 0.00 -0.47 0.00 0.00 55.73 55.39 2d90 s ARG 8 Cb 0.00 -2.42 -0.01 0.00 -0.57 0.00 0.00 34.95 31.95 2d90 s ARG 8 CO 0.00 -0.14 -0.07 0.08 -1.08 0.00 0.00 175.30 174.09 2d90 s VAL 9 N -2.65 3.35 0.03 4.99 1.01 -1.26 -2.79 120.40 123.08 2d90 s VAL 9 Ca 0.47 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2d90 s VAL 9 Cb -0.10 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2d90 s VAL 9 CO 0.42 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 175.18 2d90 s VAL 10 N 0.96 3.25 -0.06 2.92 1.01 0.62 -4.95 120.40 124.15 2d90 s VAL 10 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2d90 s VAL 10 Cb -0.15 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.85 2d90 s VAL 10 CO 0.00 0.35 -0.05 -0.69 0.00 0.00 0.00 175.10 174.71 2d90 s VAL 11 N -0.98 0.60 0.12 2.92 1.01 -1.26 -0.27 120.40 122.53 2d90 s VAL 11 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2d90 s VAL 11 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2d90 s VAL 11 CO 0.07 0.25 -0.12 -0.63 0.00 0.00 0.00 175.10 174.67 2d90 s ILE 12 N 1.15 1.18 -0.17 2.22 1.01 -1.16 -4.52 121.20 120.89 2d90 s ILE 12 Ca -0.07 -1.75 -0.01 0.00 0.00 0.00 0.00 60.65 58.82 2d90 s ILE 12 Cb -0.14 -1.52 0.05 0.00 0.01 0.00 0.00 42.46 40.86 2d90 s ILE 12 CO -0.01 -0.52 -0.01 -0.54 0.00 0.00 0.00 174.94 173.86 2d90 s LYS 13 N -2.88 1.09 0.07 2.79 3.01 -1.26 -2.59 119.74 119.97 2d90 s LYS 13 Ca 0.09 -0.48 -0.29 0.00 -1.01 0.00 0.00 55.97 54.28 2d90 s LYS 13 Cb -0.03 -2.01 -0.16 0.00 -1.01 0.00 0.00 37.83 34.62 2d90 s LYS 13 CO 0.02 -0.52 0.69 1.17 0.51 0.00 0.00 175.35 177.23 2d90 n LYS 14 N 4.94 0.00 0.00 1.68 4.81 0.10 -4.86 118.16 124.83 2d90 n LYS 14 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 2d90 n LYS 14 Cb 0.47 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 1.44 1.26 0.02 3.14 0.00 -0.67 -5.01 105.19 105.36 2d90 n GLY 15 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2d90 n GLY 15 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2d90 h SER 16 N 0.00 0.00 0.01 1.61 0.87 -1.99 -3.43 113.55 110.62 2d90 h SER 16 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2d90 h SER 16 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2d90 h SER 16 CO 0.00 0.22 -0.01 0.78 -0.53 0.00 0.00 176.83 177.30 2d90 h ASN 17 N -0.35 -0.02 0.00 6.23 4.21 -2.01 -3.50 115.58 120.14 2d90 h ASN 17 Ca 0.00 -0.65 0.00 0.00 1.21 0.00 0.00 56.30 56.86 2d90 h ASN 17 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2d90 h ASN 17 CO 0.00 0.79 0.00 0.61 -1.29 0.00 0.00 177.43 177.54 2d90 n GLY 18 N 1.54 0.79 0.10 2.83 0.00 -1.26 -5.06 105.19 104.12 2d90 n GLY 18 Ca -0.07 0.36 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.18 0.00 1.61 4.01 -1.26 -1.68 117.16 120.03 2d90 n TYR 19 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2d90 n TYR 19 Cb 0.00 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 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 1.43 1.52 3.32 2.72 0.00 -1.26 -1.21 105.19 111.71 2d90 n GLY 20 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 2d90 n GLY 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d90 s PHE 21 N -2.00 -0.33 0.33 1.61 -0.71 -1.26 -2.96 117.98 112.66 2d90 s PHE 21 Ca 0.00 0.53 0.09 0.00 -1.04 0.00 0.00 56.93 56.51 2d90 s PHE 21 Cb 0.00 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.96 2d90 s PHE 21 CO 0.00 -0.46 0.08 0.71 -1.34 0.00 0.00 175.22 174.21 2d90 s TYR 22 N -1.28 2.65 -0.03 3.49 1.51 -1.03 -4.99 117.35 117.68 2d90 s TYR 22 Ca -0.13 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 2d90 s TYR 22 Cb -0.04 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2d90 s TYR 22 CO 0.06 0.42 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.39 2d90 s LEU 23 N -3.78 1.38 0.02 -1.29 1.43 -1.26 -3.33 118.68 111.86 2d90 s LEU 23 Ca 0.36 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2d90 s LEU 23 Cb -0.02 -0.28 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 2d90 s LEU 23 CO 0.21 -0.06 -0.05 -0.60 0.23 0.00 0.00 176.35 176.09 2d90 s ARG 24 N 0.76 0.37 -0.39 1.70 3.52 -0.93 -4.95 118.95 119.04 2d90 s ARG 24 Ca -0.08 -0.55 -0.28 0.00 -0.13 0.00 0.00 55.73 54.68 2d90 s ARG 24 Cb -0.12 -0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 2d90 s ARG 24 CO -0.01 0.01 1.96 0.00 -0.81 0.00 0.00 175.30 176.45 2d90 s ALA 25 N -1.12 2.56 1.00 6.12 0.00 -1.26 -2.07 121.76 126.98 2d90 s ALA 25 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2d90 s ALA 25 Cb -0.08 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2d90 s ALA 25 CO -0.00 -3.13 0.00 0.41 0.00 0.00 0.00 175.76 173.04 2d90 n GLY 26 N 5.60 -0.77 3.59 0.00 0.00 -1.26 -4.98 105.19 107.37 2d90 n GLY 26 Ca 0.25 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2d90 n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d90 s PRO 27 N 0.00 -1.34 0.26 1.61 0.04 -1.26 -4.84 135.00 129.47 2d90 s PRO 27 Ca 0.00 -0.10 0.09 0.00 0.04 0.00 0.00 61.00 61.03 2d90 s PRO 27 Cb 0.00 -1.59 0.81 0.00 0.04 0.00 0.00 34.50 33.77 2d90 s PRO 27 CO 0.00 -3.78 1.19 -0.85 0.04 0.00 0.00 177.00 173.60 2d90 n GLU 28 N -4.80 -0.05 -1.48 4.56 0.00 -1.26 -4.37 120.64 113.24 2d90 n GLU 28 Ca 0.14 1.09 -0.59 0.00 0.00 0.00 0.00 57.16 57.79 2d90 n GLU 28 Cb 0.60 -1.84 -0.10 0.00 0.00 0.00 0.00 31.44 30.10 2d90 n GLU 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2d90 n GLN 29 N -4.87 0.48 -1.68 3.44 1.13 -1.26 -4.80 117.38 109.82 2d90 n GLN 29 Ca 0.24 0.15 -0.45 0.00 -1.94 0.00 0.00 57.00 55.00 2d90 n GLN 29 Cb 0.79 -1.85 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 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 6.61 2.17 0.00 -1.09 4.76 -1.26 -4.83 118.16 124.53 2d90 n LYS 30 Ca 0.42 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.63 2d90 n LYS 30 Cb 0.05 -2.50 0.00 0.00 -1.84 0.00 0.00 35.03 30.74 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 2.71 3.80 3.87 0.72 0.00 -1.22 -4.77 105.19 110.30 2d90 n GLY 31 Ca 0.14 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.31 3.35 0.17 1.61 -1.52 -0.96 -4.09 119.66 114.91 2d90 s GLN 32 Ca 0.00 -0.31 -0.03 0.00 -1.95 0.00 0.00 55.36 53.07 2d90 s GLN 32 Cb 0.00 -3.06 -0.05 0.00 -0.22 0.00 0.00 33.01 29.68 2d90 s GLN 32 CO 0.00 0.70 0.38 0.42 -0.25 0.00 0.00 175.29 176.54 2d90 s ILE 33 N -1.21 5.19 0.02 1.08 1.01 -0.88 -0.25 121.20 126.16 2d90 s ILE 33 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.73 2d90 s ILE 33 Cb -0.12 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2d90 s ILE 33 CO 0.13 -0.07 0.06 -0.63 0.00 0.00 0.00 174.94 174.44 2d90 s ILE 34 N -1.77 4.52 0.09 2.92 1.01 -0.67 -2.20 121.20 125.10 2d90 s ILE 34 Ca 0.40 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 60.23 2d90 s ILE 34 Cb -0.12 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.35 2d90 s ILE 34 CO 0.27 0.30 0.99 -1.59 0.00 0.00 0.00 174.94 174.91 2d90 s LYS 35 N -1.86 0.99 -1.16 2.79 0.00 -1.21 0.01 119.74 119.31 2d90 s LYS 35 Ca 0.24 -0.52 -0.06 0.00 0.00 0.00 0.00 55.97 55.63 2d90 s LYS 35 Cb -0.12 0.36 0.01 0.00 0.00 0.00 0.00 37.83 38.08 2d90 s LYS 35 CO 0.15 -0.45 1.00 -0.25 0.00 0.00 0.00 175.35 175.80 2d90 n ASP 36 N -0.42 -4.71 -4.74 0.03 9.92 -1.26 -2.46 116.55 112.91 2d90 n ASP 36 Ca -0.07 -0.50 -0.41 0.00 -0.53 0.00 0.00 54.79 53.28 2d90 n ASP 36 Cb 0.61 -4.53 -0.03 0.00 -0.64 0.00 0.00 41.12 36.53 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 -3.29 3.28 0.09 0.53 1.01 -1.26 -4.60 121.20 116.95 2d90 s ILE 37 Ca 0.36 1.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 2d90 s ILE 37 Cb -0.16 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 2d90 s ILE 37 CO 0.64 0.19 0.46 -1.61 0.00 0.00 0.00 174.94 174.62 2d90 s GLU 38 N -0.47 3.87 0.61 2.79 2.02 -1.16 -5.05 118.70 121.33 2d90 s GLU 38 Ca 0.53 0.34 -0.17 0.00 0.02 0.00 0.00 54.97 55.70 2d90 s GLU 38 Cb -0.35 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 2d90 s GLU 38 CO 0.40 0.56 1.12 -1.25 0.02 0.00 0.00 175.26 176.10 2d90 s PRO 39 N -1.76 3.02 -0.91 0.39 0.04 -1.26 -3.07 135.00 131.44 2d90 s PRO 39 Ca 0.33 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2d90 s PRO 39 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2d90 s PRO 39 CO 0.18 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.53 2d90 n GLY 40 N -0.26 0.82 3.92 0.56 0.00 -1.26 -4.90 105.19 104.07 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 -1.72 6.41 0.56 1.61 1.04 -1.18 -4.89 113.70 115.54 2d90 s SER 41 Ca 0.00 0.48 0.34 0.00 0.48 0.00 0.00 55.95 57.25 2d90 s SER 41 Cb 0.00 -2.04 1.46 0.00 0.10 0.00 0.00 66.02 65.54 2d90 s SER 41 CO 0.00 -0.05 1.76 -0.65 0.98 0.00 0.00 173.24 175.28 2d90 h PRO 42 N 2.10 0.00 -0.00 4.02 0.11 -1.78 0.25 132.00 136.70 2d90 h PRO 42 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2d90 h PRO 42 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2d90 h PRO 42 CO 0.69 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 178.12 2d90 h ALA 43 N 1.30 0.04 -0.31 -0.75 0.00 -1.39 -1.73 119.26 116.43 2d90 h ALA 43 Ca 0.47 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2d90 h ALA 43 Cb 2.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2d90 h ALA 43 CO -0.00 0.17 -0.42 1.49 0.00 0.00 0.00 179.25 180.48 2d90 h GLU 44 N -0.38 0.78 0.00 0.00 4.81 -1.02 -2.70 114.58 116.07 2d90 h GLU 44 Ca -0.04 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2d90 h GLU 44 Cb 1.10 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2d90 h GLU 44 CO 0.07 1.05 -0.27 0.00 -0.73 0.00 0.00 179.01 179.13 2d90 h ALA 45 N 0.88 0.96 0.00 2.92 0.00 -0.73 -2.99 119.26 120.30 2d90 h ALA 45 Ca 0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2d90 h ALA 45 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2d90 h ALA 45 CO 0.09 0.34 -0.44 0.00 0.00 0.00 0.00 179.25 179.24 2d90 h ALA 46 N 1.73 1.17 0.00 0.00 0.00 -1.12 -3.47 119.26 117.57 2d90 h ALA 46 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2d90 h ALA 46 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2d90 h ALA 46 CO 0.04 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2d90 n GLY 47 N -0.11 1.16 2.84 0.00 0.00 -1.13 -4.46 105.19 103.49 2d90 n GLY 47 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.04 -5.05 117.00 113.03 2d90 n LEU 48 Ca 0.00 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.41 2d90 n LEU 48 Cb 0.00 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 2d90 n LEU 48 CO 0.00 -2.45 0.54 -0.54 -1.33 0.00 0.00 177.39 173.62 2d90 s LYS 49 N -3.72 0.58 0.35 3.23 1.02 -1.26 -4.94 119.74 114.99 2d90 s LYS 49 Ca 0.38 0.89 -0.26 0.00 0.02 0.00 0.00 55.97 56.99 2d90 s LYS 49 Cb -0.07 0.18 -0.13 0.00 -0.52 0.00 0.00 37.83 37.29 2d90 s LYS 49 CO 0.32 -0.10 0.94 0.09 -0.92 0.00 0.00 175.35 175.68 2d90 n ASN 50 N 3.47 0.97 -1.31 2.83 4.13 -1.26 -2.05 115.26 122.03 2d90 n ASN 50 Ca -0.17 1.10 -0.10 0.00 1.68 0.00 0.00 54.58 57.09 2d90 n ASN 50 Cb 0.57 -1.28 0.01 0.00 -1.54 0.00 0.00 39.78 37.54 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 1.01 -3.46 -4.58 6.41 3.02 0.10 -4.95 115.26 112.81 2d90 n ASN 51 Ca 0.10 -0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 2d90 n ASN 51 Cb 0.35 -2.54 -0.06 0.00 -0.61 0.00 0.00 39.78 36.92 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 -2.72 6.50 -0.41 6.41 1.01 -0.87 -4.73 116.67 121.85 2d90 s ASP 52 Ca 0.07 0.25 -0.24 0.00 0.71 0.00 0.00 52.55 53.34 2d90 s ASP 52 Cb -0.03 -2.37 0.02 0.00 1.01 0.00 0.00 42.92 41.54 2d90 s ASP 52 CO 0.09 -0.70 0.83 -0.22 0.21 0.00 0.00 175.17 175.37 2d90 s LEU 53 N 2.98 4.13 -0.18 1.23 2.96 -1.26 -1.67 118.68 126.87 2d90 s LEU 53 Ca 0.29 0.19 -0.19 0.00 -0.22 0.00 0.00 54.13 54.20 2d90 s LEU 53 Cb -0.14 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 2d90 s LEU 53 CO 0.17 -0.86 0.55 -0.69 -1.32 0.00 0.00 176.35 174.19 2d90 s VAL 54 N 3.33 5.09 -0.17 1.68 1.01 0.66 -2.07 120.40 129.94 2d90 s VAL 54 Ca 0.33 1.04 0.16 0.00 0.00 0.00 0.00 61.98 63.51 2d90 s VAL 54 Cb -0.12 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.16 2d90 s VAL 54 CO 0.21 0.19 0.09 1.33 0.00 0.00 0.00 175.10 176.92 2d90 n VAL 55 N 4.41 1.13 -3.97 2.92 0.24 -0.63 -2.27 118.33 120.16 2d90 n VAL 55 Ca -0.04 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.34 61.43 2d90 n VAL 55 Cb 0.50 -0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.51 0.09 -0.02 2.33 0.00 -1.23 -1.40 121.76 119.02 2d90 s ALA 56 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2d90 s ALA 56 Cb 0.06 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.42 2d90 s ALA 56 CO 0.74 -0.28 0.01 0.08 0.00 0.00 0.00 175.76 176.31 2d90 s VAL 57 N -2.47 0.09 -1.34 0.00 1.01 0.30 -1.98 120.40 116.01 2d90 s VAL 57 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2d90 s VAL 57 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2d90 s VAL 57 CO -0.04 0.11 0.00 0.59 0.00 0.00 0.00 175.10 175.76 2d90 n ASN 58 N 4.03 -4.45 -0.41 3.32 3.02 0.66 -0.66 115.26 120.76 2d90 n ASN 58 Ca -0.26 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.44 2d90 n ASN 58 Cb 0.51 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 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 -0.77 0.39 2.89 7.41 0.00 -1.26 -4.98 105.19 108.86 2d90 n GLY 59 Ca -0.17 -0.74 -0.15 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 -4.36 0.28 0.02 1.61 -0.14 0.17 -5.11 119.74 112.20 2d90 s LYS 60 Ca 0.02 -0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.27 2d90 s LYS 60 Cb -0.01 -0.33 -0.08 0.00 -1.68 0.00 0.00 37.83 35.73 2d90 s LYS 60 CO 0.02 -0.00 1.82 -1.12 -0.76 0.00 0.00 175.35 175.31 2d90 s SER 61 N 0.29 6.53 -0.00 2.83 0.01 -1.26 -0.54 113.70 121.57 2d90 s SER 61 Ca -0.03 2.52 0.01 0.00 1.31 0.00 0.00 55.95 59.76 2d90 s SER 61 Cb -0.05 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2d90 s SER 61 CO -0.01 -0.99 0.01 1.33 0.41 0.00 0.00 173.24 173.99 2d90 n VAL 62 N 5.39 0.03 0.22 3.43 0.24 -0.85 -4.63 118.33 122.15 2d90 n VAL 62 Ca 0.18 -0.03 0.17 0.00 -2.04 0.00 0.00 64.34 62.62 2d90 n VAL 62 Cb 0.41 -0.26 0.71 0.00 -1.47 0.00 0.00 33.84 33.23 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 0.00 7.34 9.09 -1.45 0.68 114.58 130.24 2d90 h GLU 63 Ca -0.01 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.20 2d90 h GLU 63 Cb 0.55 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 2d90 h GLU 63 CO 0.00 0.00 -1.24 0.00 0.05 0.00 0.00 179.01 177.82 2d90 h ALA 64 N 1.25 0.63 -2.08 1.06 0.00 -1.85 -3.23 119.26 115.04 2d90 h ALA 64 Ca 0.10 -0.95 -0.43 0.00 0.00 0.00 0.00 54.91 53.62 2d90 h ALA 64 Cb 1.04 0.18 0.18 0.00 0.00 0.00 0.00 17.79 19.19 2d90 h ALA 64 CO -0.00 1.11 0.24 -0.51 0.00 0.00 0.00 179.25 180.09 2d90 s LEU 65 N -6.17 1.45 0.49 0.00 1.43 0.24 -5.08 118.68 111.04 2d90 s LEU 65 Ca -0.01 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 2d90 s LEU 65 Cb 0.09 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.87 2d90 s LEU 65 CO 0.80 -3.53 0.53 1.51 0.23 0.00 0.00 176.35 175.90 2d90 s ASP 66 N -4.19 5.08 0.22 2.29 -4.77 -1.26 -4.76 116.67 109.28 2d90 s ASP 66 Ca 0.71 -0.83 -0.13 0.00 -3.30 0.00 0.00 52.55 49.00 2d90 s ASP 66 Cb -0.09 -0.13 0.27 0.00 -1.09 0.00 0.00 42.92 41.89 2d90 s ASP 66 CO 0.55 -0.96 1.40 1.57 0.70 0.00 0.00 175.17 178.42 2d90 n HIS 67 N -1.84 0.11 0.04 2.11 -0.00 -1.26 -0.09 115.22 114.29 2d90 n HIS 67 Ca 0.07 1.11 -0.13 0.00 -0.00 0.00 0.00 57.72 58.76 2d90 n HIS 67 Cb 0.62 -0.89 -0.08 0.00 -0.00 0.00 0.00 29.99 29.64 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 -0.05 -0.14 0.26 3.58 -1.97 -1.61 116.42 116.49 2d90 h ASP 68 Ca 0.35 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.62 2d90 h ASP 68 Cb 0.57 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.57 2d90 h ASP 68 CO -0.90 0.19 -0.43 1.23 -2.88 0.00 0.00 179.24 176.45 2d90 h GLY 69 N -0.30 -0.74 0.80 -0.78 0.00 -0.85 0.48 103.07 101.69 2d90 h GLY 69 Ca -0.01 0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.87 2d90 h GLY 69 CO 0.01 -0.22 -0.09 -2.08 0.00 0.00 0.00 176.54 174.16 2d90 h VAL 70 N -0.50 0.78 0.00 4.60 2.07 -0.76 -0.99 116.25 121.46 2d90 h VAL 70 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2d90 h VAL 70 Cb 0.63 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2d90 h VAL 70 CO -0.41 0.00 0.00 0.58 0.02 0.00 0.00 177.57 177.76 2d90 h VAL 71 N -0.16 0.00 0.00 2.57 2.07 -0.86 -2.57 116.25 117.30 2d90 h VAL 71 Ca 0.03 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2d90 h VAL 71 Cb 0.19 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2d90 h VAL 71 CO -0.07 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.42 2d90 h GLU 72 N 0.00 0.01 -0.91 1.57 4.81 0.13 -3.08 114.58 117.11 2d90 h GLU 72 Ca 0.00 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.44 2d90 h GLU 72 Cb 0.08 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.34 2d90 h GLU 72 CO 0.00 0.83 0.42 0.52 -0.73 0.00 0.00 179.01 180.05 2d90 h MET 73 N -0.80 0.42 -0.49 1.92 2.86 -0.98 0.12 114.93 117.98 2d90 h MET 73 Ca -0.00 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2d90 h MET 73 Cb 0.84 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2d90 h MET 73 CO 0.00 0.28 0.09 0.82 1.06 0.00 0.00 176.91 179.16 2d90 h ILE 74 N 0.43 1.25 -0.49 -1.22 2.04 -1.63 -2.70 117.51 115.19 2d90 h ILE 74 Ca 0.57 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2d90 h ILE 74 Cb 1.06 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2d90 h ILE 74 CO -0.51 0.32 0.32 0.03 0.00 0.00 0.00 178.15 178.31 2d90 h ARG 75 N 0.67 0.44 -0.08 2.37 3.08 -0.70 0.20 114.38 120.37 2d90 h ARG 75 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2d90 h ARG 75 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2d90 h ARG 75 CO 0.01 0.29 0.00 1.63 -1.07 0.00 0.00 179.97 180.83 2d90 n LYS 76 N -4.48 1.19 0.18 0.04 5.02 -0.71 -3.77 118.16 115.64 2d90 n LYS 76 Ca 0.06 -0.30 0.03 0.00 -2.02 0.00 0.00 58.31 56.09 2d90 n LYS 76 Cb 0.22 -1.11 0.35 0.00 -0.02 0.00 0.00 35.03 34.48 2d90 n LYS 76 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2d90 h GLY 77 N 5.74 0.00 0.00 0.72 0.00 -0.55 -3.48 103.07 105.50 2d90 h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d90 h GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2d90 n GLY 78 N -0.23 1.88 0.00 4.60 0.00 -1.25 -3.68 105.19 106.52 2d90 n GLY 78 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 4.58 4.27 -3.71 1.61 9.92 -1.26 -4.91 116.55 127.06 2d90 n ASP 79 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 2d90 n ASP 79 Cb 0.00 0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.97 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 -1.81 0.72 -0.01 -1.24 -2.07 -1.24 0.00 119.66 114.02 2d90 s GLN 80 Ca 0.00 -0.01 -0.07 0.00 -1.82 0.00 0.00 55.36 53.46 2d90 s GLN 80 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2d90 s GLN 80 CO 0.00 -0.19 0.14 -0.08 -1.32 0.00 0.00 175.29 173.83 2d90 s THR 81 N -1.11 0.07 -0.14 3.63 -1.32 -1.07 -4.75 115.64 110.96 2d90 s THR 81 Ca -0.11 -0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 59.67 2d90 s THR 81 Cb -0.04 -0.40 -0.05 0.00 -1.51 0.00 0.00 72.50 70.51 2d90 s THR 81 CO 0.05 -0.32 0.23 -0.89 -2.21 0.00 0.00 174.62 171.48 2d90 s THR 82 N -1.15 5.35 -0.02 5.08 2.01 -1.26 -3.00 115.64 122.66 2d90 s THR 82 Ca -0.12 0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.33 2d90 s THR 82 Cb -0.07 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 2d90 s THR 82 CO 0.01 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.53 2d90 s LEU 83 N -0.17 2.75 -0.32 4.42 1.43 0.63 -0.25 118.68 127.17 2d90 s LEU 83 Ca 0.15 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2d90 s LEU 83 Cb -0.13 -1.58 0.10 0.00 0.03 0.00 0.00 46.19 44.61 2d90 s LEU 83 CO 0.04 0.31 0.04 -0.22 0.23 0.00 0.00 176.35 176.75 2d90 s LEU 84 N -1.03 4.20 0.26 1.79 2.96 -0.84 -0.28 118.68 125.75 2d90 s LEU 84 Ca 0.13 -1.98 0.08 0.00 -0.22 0.00 0.00 54.13 52.14 2d90 s LEU 84 Cb -0.11 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2d90 s LEU 84 CO 0.03 -0.36 0.12 0.68 -1.32 0.00 0.00 176.35 175.49 2d90 s VAL 85 N 1.04 3.95 -0.09 1.68 -7.23 -1.12 -1.60 120.40 117.04 2d90 s VAL 85 Ca 0.09 -1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 2d90 s VAL 85 Cb -0.19 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 2d90 s VAL 85 CO -0.10 -0.35 0.31 -0.22 -0.31 0.00 0.00 175.10 174.43 2d90 s LEU 86 N -3.78 4.37 -0.23 1.32 1.98 -0.88 -1.10 118.68 120.35 2d90 s LEU 86 Ca 0.33 0.69 -0.03 0.00 -2.89 0.00 0.00 54.13 52.23 2d90 s LEU 86 Cb -0.07 -2.40 -0.13 0.00 0.66 0.00 0.00 46.19 44.24 2d90 s LEU 86 CO 0.23 0.25 -0.24 0.47 -1.89 0.00 0.00 176.35 175.17 2d90 n ASP 87 N 2.56 2.07 -4.76 3.68 9.92 -1.26 -4.58 116.55 124.17 2d90 n ASP 87 Ca -0.14 0.01 -0.41 0.00 -0.53 0.00 0.00 54.79 53.72 2d90 n ASP 87 Cb 0.53 -0.47 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 2d90 n ASP 87 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2d90 s LYS 88 N -2.45 4.41 0.00 -1.24 2.47 -1.26 -2.89 119.74 118.77 2d90 s LYS 88 Ca -0.32 2.13 0.00 0.00 -1.56 0.00 0.00 55.97 56.23 2d90 s LYS 88 Cb 0.10 -3.10 0.00 0.00 -1.46 0.00 0.00 37.83 33.36 2d90 s LYS 88 CO 0.49 -0.13 0.00 -0.85 0.16 0.00 0.00 175.35 175.03 2d90 n GLU 89 N 1.05 -2.53 -0.10 4.03 0.28 -1.26 -4.71 120.64 117.40 2d90 n GLU 89 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.82 2d90 n GLU 89 Cb 0.42 -3.97 -0.09 0.00 1.43 0.00 0.00 31.44 29.23 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 -2.06 0.75 -2.61 -1.84 0.00 -1.14 -4.70 120.51 108.92 2d90 n ALA 90 Ca 0.00 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 2d90 n ALA 90 Cb 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.36 3.58 -0.29 0.00 -1.05 -1.26 -4.88 118.70 112.44 2d90 s GLU 91 Ca -0.27 -1.18 -0.22 0.00 -0.15 0.00 0.00 54.97 53.15 2d90 s GLU 91 Cb 0.06 -5.28 0.16 0.00 -0.44 0.00 0.00 34.13 28.63 2d90 s GLU 91 CO 0.50 -2.15 1.15 -1.54 0.95 0.00 0.00 175.26 174.17 2d90 s SER 92 N 4.78 -0.31 0.43 0.83 1.04 -1.26 -5.16 113.70 114.05 2d90 s SER 92 Ca 0.44 0.56 0.07 0.00 0.48 0.00 0.00 55.95 57.50 2d90 s SER 92 Cb -0.01 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 2d90 s SER 92 CO -0.09 -0.09 0.23 0.27 0.98 0.00 0.00 173.24 174.53 2d90 s ILE 93 N 0.53 2.23 -0.11 -1.02 -5.25 -1.26 -5.09 121.20 111.23 2d90 s ILE 93 Ca 0.00 -1.63 -0.30 0.00 -0.99 0.00 0.00 60.65 57.74 2d90 s ILE 93 Cb -0.04 -2.86 -0.01 0.00 2.95 0.00 0.00 42.46 42.50 2d90 s ILE 93 CO -0.11 0.00 1.05 -0.72 -1.79 0.00 0.00 174.94 173.37 2d90 s TYR 94 N -2.61 3.42 -0.36 1.37 1.13 -1.26 -4.93 117.35 114.11 2d90 s TYR 94 Ca 0.40 1.49 -0.39 0.00 -1.41 0.00 0.00 57.07 57.16 2d90 s TYR 94 Cb 0.02 -3.25 -0.15 0.00 -1.10 0.00 0.00 41.96 37.48 2d90 s TYR 94 CO 0.22 -0.50 2.01 0.43 -2.51 0.00 0.00 175.55 175.21 2d90 n SER 95 N 5.22 1.95 -4.70 -0.18 7.64 -1.26 -4.89 113.62 117.40 2d90 n SER 95 Ca 0.10 0.72 -0.32 0.00 1.01 0.00 0.00 58.87 60.38 2d90 n SER 95 Cb 0.48 -1.14 0.14 0.00 -1.01 0.00 0.00 64.21 62.68 2d90 n SER 95 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2d90 s LEU 96 N 5.62 2.99 -0.14 -3.43 2.34 -1.26 -5.01 118.68 119.79 2d90 s LEU 96 Ca 1.07 2.19 -0.14 0.00 0.06 0.00 0.00 54.13 57.32 2d90 s LEU 96 Cb -1.07 -4.57 -0.05 0.00 -0.56 0.00 0.00 46.19 39.95 2d90 s LEU 96 CO 0.59 -2.76 -0.27 -0.24 -1.06 0.00 0.00 176.35 172.61 2d90 n SER 97 N -3.77 1.50 0.00 1.48 2.88 -1.26 -5.10 113.62 109.35 2d90 n SER 97 Ca 0.12 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2d90 n SER 97 Cb 0.52 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2d90 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d90 n GLY 98 N 1.47 0.65 3.57 0.46 0.00 -1.26 -5.08 105.19 105.00 2d90 n GLY 98 Ca -0.11 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.87 -0.40 1.61 0.04 -1.26 -4.96 135.00 132.91 2d90 s PRO 99 Ca 0.00 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 61.83 2d90 s PRO 99 Cb 0.00 -4.31 0.09 0.00 0.04 0.00 0.00 34.50 30.32 2d90 s PRO 99 CO 0.00 -2.43 0.19 -1.12 0.04 0.00 0.00 177.00 173.68 2d90 s SER 100 N 7.28 5.31 0.29 6.66 0.01 -1.26 -5.09 113.70 126.90 2d90 s SER 100 Ca 0.70 -1.76 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2d90 s SER 100 Cb -0.15 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 2d90 s SER 100 CO 0.25 -0.50 0.49 -0.44 0.41 0.00 0.00 173.24 173.44 2d90 s SER 101 N 1.85 6.34 0.00 2.44 0.01 -1.26 -5.34 113.70 117.74 2d90 s SER 101 Ca 0.04 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2d90 s SER 101 Cb -0.22 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2d90 s SER 101 CO -0.02 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.05