#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk s SER 2 N 0.00 -0.80 0.26 1.61 0.01 -1.26 -5.04 113.70 108.48 2dbk s SER 2 Ca 0.00 1.33 -0.04 0.00 1.31 0.00 0.00 55.95 58.55 2dbk s SER 2 Cb 0.00 1.62 0.51 0.00 0.21 0.00 0.00 66.02 68.37 2dbk s SER 2 CO 0.00 -0.22 1.65 0.77 0.41 0.00 0.00 173.24 175.84 2dbk h SER 3 N 7.65 -0.19 0.00 2.44 4.64 -2.08 -3.46 113.55 122.55 2dbk h SER 3 Ca -0.23 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2dbk h SER 3 Cb 1.15 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2dbk h SER 3 CO 0.15 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2dbk n GLY 4 N -1.40 3.09 4.02 -0.77 0.00 -1.26 -4.94 105.19 103.93 2dbk n GLY 4 Ca 0.16 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2dbk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbk n SER 5 N 0.00 -0.26 -0.08 1.61 3.41 -1.26 -4.77 113.62 112.28 2dbk n SER 5 Ca 0.00 -1.05 -0.02 0.00 -0.26 0.00 0.00 58.87 57.54 2dbk n SER 5 Cb 0.00 -1.32 0.24 0.00 -0.26 0.00 0.00 64.21 62.87 2dbk n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dbk h SER 6 N -1.04 0.65 -3.19 4.04 4.64 -1.96 -3.34 113.55 113.35 2dbk h SER 6 Ca -0.52 -0.11 -0.62 0.00 -0.47 0.00 0.00 61.79 60.06 2dbk h SER 6 Cb 1.16 -0.17 -0.41 0.00 -0.31 0.00 0.00 62.40 62.67 2dbk h SER 6 CO 0.66 0.67 -0.67 -0.83 -0.87 0.00 0.00 176.83 175.79 2dbk s GLY 7 N -3.72 2.41 0.71 -0.77 0.00 -1.26 -5.11 107.32 99.58 2dbk s GLY 7 Ca -0.09 -3.37 -0.13 0.00 0.00 0.00 0.00 44.72 41.13 2dbk s GLY 7 CO 0.78 1.31 1.10 2.56 0.00 0.00 0.00 173.10 178.86 2dbk s PRO 8 N -0.81 2.57 0.03 2.90 0.04 -1.26 -5.08 135.00 133.40 2dbk s PRO 8 Ca 0.24 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 2dbk s PRO 8 Cb -0.08 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 2dbk s PRO 8 CO -0.13 -1.41 0.13 -0.51 0.04 0.00 0.00 177.00 175.11 2dbk s LEU 9 N -5.31 1.63 0.84 -3.56 1.43 -1.26 -5.16 118.68 107.30 2dbk s LEU 9 Ca 0.65 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 2dbk s LEU 9 Cb -0.19 0.69 0.10 0.00 0.03 0.00 0.00 46.19 46.82 2dbk s LEU 9 CO 0.48 -0.46 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 2dbk s PRO 10 N -2.14 1.69 -0.20 1.29 0.04 -1.26 -4.90 135.00 129.52 2dbk s PRO 10 Ca -0.09 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 2dbk s PRO 10 Cb -0.04 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2dbk s PRO 10 CO -0.02 -1.98 2.16 0.45 0.04 0.00 0.00 177.00 177.65 2dbk s SER 11 N -3.41 5.58 0.48 6.66 0.15 -1.26 -4.93 113.70 116.97 2dbk s SER 11 Ca 0.62 1.92 -0.23 0.00 0.70 0.00 0.00 55.95 58.96 2dbk s SER 11 Cb -0.18 -2.51 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 2dbk s SER 11 CO 0.57 -1.86 1.23 0.42 1.20 0.00 0.00 173.24 174.80 2dbk s THR 12 N 7.85 2.76 0.02 6.45 -4.23 -1.26 -4.98 115.64 122.25 2dbk s THR 12 Ca 0.98 0.57 -0.22 0.00 -1.18 0.00 0.00 61.69 61.84 2dbk s THR 12 Cb -0.33 -3.29 -0.12 0.00 1.34 0.00 0.00 72.50 70.09 2dbk s THR 12 CO 0.35 -0.00 1.16 -0.61 -0.54 0.00 0.00 174.62 174.98 2dbk h GLN 13 N 1.90 -0.77 -6.93 3.99 4.15 -2.06 -3.43 115.11 111.96 2dbk h GLN 13 Ca -0.50 0.05 -0.54 0.00 0.77 0.00 0.00 58.65 58.44 2dbk h GLN 13 Cb 1.26 0.17 0.10 0.00 0.21 0.00 0.00 27.48 29.23 2dbk h GLN 13 CO 0.59 -0.51 0.79 1.21 -1.93 0.00 0.00 178.83 178.99 2dbk s ASN 14 N -3.64 6.34 0.04 -0.69 2.47 -1.26 -5.01 114.94 113.20 2dbk s ASN 14 Ca -0.12 3.04 0.05 0.00 0.42 0.00 0.00 52.86 56.26 2dbk s ASN 14 Cb 0.01 -2.66 -0.04 0.00 -1.45 0.00 0.00 41.25 37.11 2dbk s ASN 14 CO 0.35 -0.88 -0.09 -0.83 -3.72 0.00 0.00 177.10 171.93 2dbk s GLY 15 N -0.07 1.75 0.76 1.21 0.00 -1.26 -5.12 107.32 104.59 2dbk s GLY 15 Ca 0.54 -1.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 2dbk s GLY 15 CO 0.61 -1.02 1.09 2.56 0.00 0.00 0.00 173.10 176.35 2dbk s PRO 16 N -1.69 2.32 0.03 2.90 0.04 -1.26 -5.02 135.00 132.31 2dbk s PRO 16 Ca 0.18 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.22 2dbk s PRO 16 Cb -0.11 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2dbk s PRO 16 CO 0.10 -1.60 0.58 0.08 0.04 0.00 0.00 177.00 176.19 2dbk s VAL 17 N -2.84 4.83 -0.04 -0.36 1.01 -1.09 -4.97 120.40 116.95 2dbk s VAL 17 Ca 0.62 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.83 2dbk s VAL 17 Cb -0.17 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2dbk s VAL 17 CO 0.54 0.49 -0.05 -0.36 0.00 0.00 0.00 175.10 175.72 2dbk s PHE 18 N -0.65 2.97 -0.22 5.22 0.08 -1.26 -2.36 117.98 121.76 2dbk s PHE 18 Ca 0.30 0.03 -0.06 0.00 0.12 0.00 0.00 56.93 57.31 2dbk s PHE 18 Cb -0.19 -1.68 0.10 0.00 -0.57 0.00 0.00 43.02 40.69 2dbk s PHE 18 CO 0.18 0.38 0.44 0.00 -0.10 0.00 0.00 175.22 176.12 2dbk s ALA 19 N -0.92 -1.28 0.11 5.36 0.00 -0.90 -4.14 121.76 119.99 2dbk s ALA 19 Ca 0.15 1.52 -0.28 0.00 0.00 0.00 0.00 51.96 53.35 2dbk s ALA 19 Cb -0.11 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 2dbk s ALA 19 CO 0.05 -0.86 0.90 -1.59 0.00 0.00 0.00 175.76 174.25 2dbk s LYS 20 N 2.64 4.66 -0.55 0.00 -2.85 -1.25 -0.05 119.74 122.34 2dbk s LYS 20 Ca 0.01 1.34 -0.27 0.00 -1.00 0.00 0.00 55.97 56.04 2dbk s LYS 20 Cb -0.13 -3.35 -0.00 0.00 -2.06 0.00 0.00 37.83 32.29 2dbk s LYS 20 CO -0.14 0.29 1.61 0.00 0.10 0.00 0.00 175.35 177.21 2dbk s ALA 21 N -0.22 2.62 0.25 0.59 0.00 0.85 -3.14 121.76 122.71 2dbk s ALA 21 Ca 0.43 -0.56 0.13 0.00 0.00 0.00 0.00 51.96 51.97 2dbk s ALA 21 Cb -0.23 -4.16 0.49 0.00 0.00 0.00 0.00 23.12 19.22 2dbk s ALA 21 CO 0.28 -3.20 1.67 -0.84 0.00 0.00 0.00 175.76 173.67 2dbk h ILE 22 N 6.59 1.26 -4.27 0.00 3.07 -1.85 0.18 117.51 122.49 2dbk h ILE 22 Ca -0.28 -1.86 -0.65 0.00 1.55 0.00 0.00 64.86 63.62 2dbk h ILE 22 Cb 1.12 2.03 -0.26 0.00 -0.27 0.00 0.00 36.82 39.44 2dbk h ILE 22 CO 1.17 0.51 -0.87 -1.58 -1.05 0.00 0.00 178.15 176.34 2dbk s GLN 23 N -3.67 1.66 -0.14 0.16 2.00 -1.08 -4.74 119.66 113.86 2dbk s GLN 23 Ca -0.01 -1.04 -0.29 0.00 -2.00 0.00 0.00 55.36 52.02 2dbk s GLN 23 Cb 0.12 -1.81 -0.04 0.00 0.80 0.00 0.00 33.01 32.09 2dbk s GLN 23 CO 0.74 0.47 1.56 0.21 -0.50 0.00 0.00 175.29 177.76 2dbk s LYS 24 N -1.18 4.04 -0.22 1.67 2.20 -1.26 -4.64 119.74 120.34 2dbk s LYS 24 Ca 0.10 1.87 -0.24 0.00 -0.36 0.00 0.00 55.97 57.34 2dbk s LYS 24 Cb -0.10 -3.96 -0.01 0.00 -1.51 0.00 0.00 37.83 32.25 2dbk s LYS 24 CO 0.02 -0.99 0.79 0.50 -0.36 0.00 0.00 175.35 175.30 2dbk s ARG 25 N 4.18 4.20 -0.46 4.03 3.00 -0.26 -4.98 118.95 128.66 2dbk s ARG 25 Ca 0.69 0.89 0.04 0.00 -1.00 0.00 0.00 55.73 56.34 2dbk s ARG 25 Cb -0.28 -3.62 0.12 0.00 0.00 0.00 0.00 34.95 31.17 2dbk s ARG 25 CO 0.26 -0.44 0.20 0.08 0.00 0.00 0.00 175.30 175.40 2dbk s VAL 26 N 2.57 2.33 0.68 7.11 1.01 -1.26 -3.61 120.40 129.23 2dbk s VAL 26 Ca 0.34 -2.92 -0.14 0.00 0.00 0.00 0.00 61.98 59.26 2dbk s VAL 26 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2dbk s VAL 26 CO 0.09 -0.75 1.11 -2.16 0.00 0.00 0.00 175.10 173.38 2dbk s PRO 27 N 0.15 2.69 0.92 2.72 0.04 -1.26 -5.02 135.00 135.25 2dbk s PRO 27 Ca 0.15 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 2dbk s PRO 27 Cb -0.24 -1.94 0.15 0.00 0.04 0.00 0.00 34.50 32.51 2dbk s PRO 27 CO -0.03 -1.33 1.09 0.00 0.04 0.00 0.00 177.00 176.77 2dbk h ALA 29 N -1.67 1.86 -0.87 0.00 0.00 -2.03 -2.10 119.26 114.45 2dbk h ALA 29 Ca -0.50 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.78 2dbk h ALA 29 Cb 1.29 -0.11 -0.37 0.00 0.00 0.00 0.00 17.79 18.60 2dbk h ALA 29 CO 0.54 0.08 -0.07 2.48 0.00 0.00 0.00 179.25 182.28 2dbk n TYR 30 N -4.48 2.97 -3.82 0.00 0.18 -1.26 -4.91 117.16 105.84 2dbk n TYR 30 Ca 0.05 -2.59 -0.35 0.00 1.88 0.00 0.00 57.90 56.90 2dbk n TYR 30 Cb 0.18 -0.83 -0.12 0.00 -0.38 0.00 0.00 39.34 38.19 2dbk n TYR 30 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2dbk s ASP 31 N -2.81 5.05 0.12 9.48 -1.08 -0.79 -4.90 116.67 121.73 2dbk s ASP 31 Ca 0.57 -2.41 0.23 0.00 -0.52 0.00 0.00 52.55 50.41 2dbk s ASP 31 Cb 0.45 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 40.14 2dbk s ASP 31 CO 0.01 -0.43 0.99 0.29 0.52 0.00 0.00 175.17 176.55 2dbk n LYS 32 N 4.03 0.49 0.00 4.34 4.76 -1.26 -3.86 118.16 126.66 2dbk n LYS 32 Ca 0.03 0.04 0.13 0.00 -2.87 0.00 0.00 58.31 55.63 2dbk n LYS 32 Cb 0.39 -1.70 0.38 0.00 -1.84 0.00 0.00 35.03 32.26 2dbk n LYS 32 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2dbk n THR 33 N -2.35 0.00 -3.58 -0.18 -2.24 -1.26 -4.77 114.28 99.89 2dbk n THR 33 Ca 0.00 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2dbk n THR 33 Cb 0.51 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 69.15 2dbk n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dbk s ALA 34 N -2.36 3.31 0.12 6.98 0.00 -1.25 0.20 121.76 128.76 2dbk s ALA 34 Ca 0.27 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 2dbk s ALA 34 Cb 0.20 -2.62 -0.06 0.00 0.00 0.00 0.00 23.12 20.63 2dbk s ALA 34 CO 0.47 -1.37 1.06 -1.17 0.00 0.00 0.00 175.76 174.76 2dbk s LEU 35 N 1.57 4.46 -0.11 0.00 0.20 -0.97 -4.75 118.68 119.09 2dbk s LEU 35 Ca 0.03 1.95 -0.12 0.00 0.69 0.00 0.00 54.13 56.68 2dbk s LEU 35 Cb -0.19 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.93 2dbk s LEU 35 CO 0.07 -0.22 0.28 0.00 -0.29 0.00 0.00 176.35 176.20 2dbk s ALA 36 N 0.14 3.69 -0.05 5.97 0.00 -1.26 -4.80 121.76 125.44 2dbk s ALA 36 Ca 0.50 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 2dbk s ALA 36 Cb -0.27 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2dbk s ALA 36 CO 0.32 0.33 0.13 -0.51 0.00 0.00 0.00 175.76 176.03 2dbk s LEU 37 N -0.31 1.27 0.60 0.00 1.43 -1.24 -4.99 118.68 115.44 2dbk s LEU 37 Ca 0.18 0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 2dbk s LEU 37 Cb -0.14 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 46.47 2dbk s LEU 37 CO 0.06 -0.08 1.00 -0.70 0.23 0.00 0.00 176.35 176.87 2dbk s GLU 38 N 0.41 3.57 -0.18 1.70 2.12 -1.26 -1.11 118.70 123.95 2dbk s GLU 38 Ca -0.03 0.67 -0.28 0.00 0.36 0.00 0.00 54.97 55.69 2dbk s GLU 38 Cb -0.04 -2.12 -0.06 0.00 0.26 0.00 0.00 34.13 32.18 2dbk s GLU 38 CO -0.02 -0.54 2.16 0.08 -0.54 0.00 0.00 175.26 176.41 2dbk s VAL 39 N -3.13 3.02 0.00 3.70 1.01 -1.26 -1.67 120.40 122.07 2dbk s VAL 39 Ca 0.54 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2dbk s VAL 39 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2dbk s VAL 39 CO 0.53 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2dbk n GLY 40 N 5.53 1.39 3.61 4.51 0.00 0.65 -5.03 105.19 115.85 2dbk n GLY 40 Ca 0.28 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 2dbk n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dbk s ASP 41 N -2.07 5.78 0.13 1.61 1.11 -0.67 -4.81 116.67 117.75 2dbk s ASP 41 Ca 0.00 0.04 -0.30 0.00 0.18 0.00 0.00 52.55 52.46 2dbk s ASP 41 Cb 0.00 -2.03 -0.07 0.00 1.07 0.00 0.00 42.92 41.89 2dbk s ASP 41 CO 0.00 0.07 1.19 -0.63 1.18 0.00 0.00 175.17 176.98 2dbk s ILE 42 N 0.99 3.82 -0.24 0.77 -1.09 -1.26 -0.11 121.20 124.08 2dbk s ILE 42 Ca 0.06 1.42 -0.03 0.00 -2.23 0.00 0.00 60.65 59.87 2dbk s ILE 42 Cb -0.14 -3.91 0.01 0.00 -1.58 0.00 0.00 42.46 36.85 2dbk s ILE 42 CO 0.03 0.18 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.18 2dbk s VAL 43 N 0.43 3.10 -0.45 2.92 1.01 0.92 -4.89 120.40 123.44 2dbk s VAL 43 Ca 0.55 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2dbk s VAL 43 Cb -0.31 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.61 2dbk s VAL 43 CO 0.33 0.29 0.47 -0.75 0.00 0.00 0.00 175.10 175.44 2dbk s LYS 44 N 1.40 3.07 -0.12 2.72 2.20 -1.26 -2.13 119.74 125.62 2dbk s LYS 44 Ca 0.03 -0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 54.70 2dbk s LYS 44 Cb -0.16 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2dbk s LYS 44 CO -0.04 -0.97 -0.04 0.54 -0.36 0.00 0.00 175.35 174.48 2dbk s VAL 45 N 2.14 3.92 -0.04 4.02 0.11 -1.00 -1.83 120.40 127.73 2dbk s VAL 45 Ca 0.11 -0.37 0.12 0.00 -2.93 0.00 0.00 61.98 58.91 2dbk s VAL 45 Cb -0.19 -2.68 -0.18 0.00 -1.53 0.00 0.00 36.38 31.81 2dbk s VAL 45 CO 0.12 0.54 0.22 0.35 -3.33 0.00 0.00 175.10 172.99 2dbk n THR 46 N 3.01 0.16 -4.30 5.04 -2.24 -1.07 -2.65 114.28 112.23 2dbk n THR 46 Ca -0.18 -0.31 -0.26 0.00 -2.27 0.00 0.00 64.05 61.03 2dbk n THR 46 Cb 0.53 0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.62 2dbk n THR 46 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dbk s ARG 47 N -2.71 1.76 -0.36 -0.78 0.52 -1.24 -4.99 118.95 111.14 2dbk s ARG 47 Ca -0.05 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2dbk s ARG 47 Cb 0.07 -1.59 0.10 0.00 0.52 0.00 0.00 34.95 34.05 2dbk s ARG 47 CO 0.49 -0.11 0.10 -1.64 0.02 0.00 0.00 175.30 174.16 2dbk s MET 48 N 1.13 1.77 0.22 3.54 -1.94 -1.26 -0.50 119.30 122.26 2dbk s MET 48 Ca -0.05 -1.80 -0.31 0.00 -1.71 0.00 0.00 55.69 51.82 2dbk s MET 48 Cb -0.14 -3.34 -0.10 0.00 2.01 0.00 0.00 34.83 33.25 2dbk s MET 48 CO -0.02 -0.96 1.49 -0.80 -0.01 0.00 0.00 175.02 174.72 2dbk s ASN 49 N 1.30 6.62 0.25 3.03 0.01 -1.11 -4.90 114.94 120.13 2dbk s ASN 49 Ca 0.08 2.65 -0.04 0.00 -0.71 0.00 0.00 52.86 54.84 2dbk s ASN 49 Cb -0.21 -2.61 0.48 0.00 0.41 0.00 0.00 41.25 39.32 2dbk s ASN 49 CO -0.06 -0.75 1.70 0.40 -1.51 0.00 0.00 177.10 176.87 2dbk h ILE 50 N 3.72 0.55 -0.88 0.60 2.04 -1.99 -1.01 117.51 120.54 2dbk h ILE 50 Ca -0.45 -0.11 0.26 0.00 1.00 0.00 0.00 64.86 65.56 2dbk h ILE 50 Cb 1.21 0.20 -0.16 0.00 -0.74 0.00 0.00 36.82 37.33 2dbk h ILE 50 CO 0.83 0.06 0.08 -0.46 0.00 0.00 0.00 178.15 178.66 2dbk n ASN 51 N -5.11 -0.05 0.00 1.72 0.23 -1.26 -4.78 115.26 106.01 2dbk n ASN 51 Ca 0.15 1.50 0.00 0.00 -0.53 0.00 0.00 54.58 55.69 2dbk n ASN 51 Cb 0.46 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 2dbk n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dbk n GLY 52 N -1.42 3.89 3.71 4.83 0.00 -0.38 -5.12 105.19 110.71 2dbk n GLY 52 Ca 0.23 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2dbk n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dbk s GLN 53 N 0.00 4.38 0.21 1.61 -1.52 -1.26 -4.69 119.66 118.39 2dbk s GLN 53 Ca 0.00 1.92 0.05 0.00 -1.95 0.00 0.00 55.36 55.38 2dbk s GLN 53 Cb 0.00 -3.30 -0.03 0.00 -0.22 0.00 0.00 33.01 29.46 2dbk s GLN 53 CO 0.00 -0.34 0.29 -1.58 -0.25 0.00 0.00 175.29 173.41 2dbk s TRP 54 N 1.05 3.37 -0.28 0.91 0.51 -1.25 -2.77 118.94 120.48 2dbk s TRP 54 Ca 0.61 0.00 -0.06 0.00 -2.12 0.00 0.00 56.10 54.54 2dbk s TRP 54 Cb -0.33 -1.56 0.01 0.00 -0.81 0.00 0.00 33.47 30.78 2dbk s TRP 54 CO 0.30 0.48 0.05 -2.00 -0.51 0.00 0.00 176.95 175.27 2dbk s GLU 55 N -3.67 3.04 0.07 4.98 2.12 0.35 -3.61 118.70 121.98 2dbk s GLU 55 Ca 0.34 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.80 2dbk s GLU 55 Cb -0.09 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2dbk s GLU 55 CO 0.28 -0.43 -0.06 0.20 -0.54 0.00 0.00 175.26 174.70 2dbk s GLY 56 N 1.46 0.64 -0.19 -1.50 0.00 -1.25 -2.61 107.32 103.87 2dbk s GLY 56 Ca 0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 2dbk s GLY 56 CO 0.01 -1.24 -0.10 1.85 0.00 0.00 0.00 173.10 173.62 2dbk s GLU 57 N -3.16 3.28 -0.00 2.90 -6.30 -0.76 -3.44 118.70 111.21 2dbk s GLU 57 Ca 0.04 -0.69 -0.00 0.00 -2.50 0.00 0.00 54.97 51.82 2dbk s GLU 57 Cb 0.01 -2.81 -0.00 0.00 0.00 0.00 0.00 34.13 31.33 2dbk s GLU 57 CO -0.04 -0.10 0.01 0.08 0.02 0.00 0.00 175.26 175.23 2dbk s VAL 58 N 1.15 0.01 -1.48 3.70 1.01 0.99 -4.14 120.40 121.65 2dbk s VAL 58 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2dbk s VAL 58 Cb -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2dbk s VAL 58 CO -0.03 -0.05 0.17 0.59 0.00 0.00 0.00 175.10 175.78 2dbk n ASN 59 N 2.92 0.08 -2.98 3.32 3.02 -1.26 0.10 115.26 120.46 2dbk n ASN 59 Ca -0.13 -1.21 -0.21 0.00 -0.03 0.00 0.00 54.58 52.99 2dbk n ASN 59 Cb 0.59 -1.97 0.02 0.00 -0.61 0.00 0.00 39.78 37.81 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dbk n GLY 60 N -2.39 -0.51 3.02 7.41 0.00 -1.26 -4.97 105.19 106.49 2dbk n GLY 60 Ca -0.30 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2dbk n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dbk s ARG 61 N -5.65 0.56 -0.18 1.61 6.06 0.29 -5.14 118.95 116.50 2dbk s ARG 61 Ca 0.27 -0.47 -0.02 0.00 -2.50 0.00 0.00 55.73 53.01 2dbk s ARG 61 Cb -0.13 -0.47 0.05 0.00 0.06 0.00 0.00 34.95 34.47 2dbk s ARG 61 CO 0.33 0.12 -0.00 0.15 -2.50 0.00 0.00 175.30 173.39 2dbk s LYS 62 N -0.76 0.97 0.26 5.12 1.02 -1.26 -0.01 119.74 125.09 2dbk s LYS 62 Ca -0.02 -0.48 -0.15 0.00 0.02 0.00 0.00 55.97 55.34 2dbk s LYS 62 Cb -0.06 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2dbk s LYS 62 CO 0.00 -0.56 0.55 0.20 -0.92 0.00 0.00 175.35 174.62 2dbk s GLY 63 N 1.75 0.41 -0.12 -3.33 0.00 -1.22 -4.91 107.32 99.89 2dbk s GLY 63 Ca -0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 2dbk s GLY 63 CO -0.07 -0.50 0.76 1.08 0.00 0.00 0.00 173.10 174.37 2dbk s LEU 64 N -3.00 4.25 0.02 0.66 1.43 0.13 -3.93 118.68 118.24 2dbk s LEU 64 Ca 0.20 1.17 0.07 0.00 -1.03 0.00 0.00 54.13 54.54 2dbk s LEU 64 Cb -0.02 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 2dbk s LEU 64 CO 0.09 -0.25 -0.22 0.72 0.23 0.00 0.00 176.35 176.92 2dbk s PHE 65 N 1.45 1.93 0.23 0.29 -0.12 -1.24 -2.28 117.98 118.24 2dbk s PHE 65 Ca 0.38 -0.38 -0.30 0.00 -0.05 0.00 0.00 56.93 56.58 2dbk s PHE 65 Cb -0.17 -1.18 -0.09 0.00 -0.63 0.00 0.00 43.02 40.95 2dbk s PHE 65 CO 0.16 0.06 1.28 -1.25 -0.05 0.00 0.00 175.22 175.41 2dbk s PRO 66 N -0.97 4.42 0.12 1.99 0.04 -1.26 -3.88 135.00 135.45 2dbk s PRO 66 Ca 0.08 2.05 0.18 0.00 0.04 0.00 0.00 61.00 63.35 2dbk s PRO 66 Cb -0.09 -3.17 0.76 0.00 0.04 0.00 0.00 34.50 32.04 2dbk s PRO 66 CO 0.01 -0.18 1.55 1.97 0.04 0.00 0.00 177.00 180.39 2dbk n PHE 67 N 2.10 0.37 0.08 0.56 1.16 -1.26 -2.30 117.46 118.16 2dbk n PHE 67 Ca 0.04 0.15 -0.12 0.00 -1.87 0.00 0.00 57.45 55.65 2dbk n PHE 67 Cb 0.43 -0.74 -0.13 0.00 -1.61 0.00 0.00 39.48 37.43 2dbk n PHE 67 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 2dbk h THR 68 N 0.00 1.55 0.00 1.97 1.35 -1.98 -3.23 112.91 112.57 2dbk h THR 68 Ca 0.00 -3.20 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 2dbk h THR 68 Cb 0.28 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 2dbk h THR 68 CO 0.00 0.91 0.00 0.45 -0.25 0.00 0.00 175.52 176.63 2dbk h HIS 69 N 0.04 0.00 -3.60 4.73 3.86 -1.85 -3.45 115.15 114.88 2dbk h HIS 69 Ca -0.09 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.48 2dbk h HIS 69 Cb 1.89 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 30.15 2dbk h HIS 69 CO 0.03 0.00 -0.84 0.14 0.86 0.00 0.00 177.93 178.12 2dbk s VAL 70 N -3.30 2.17 -0.11 2.45 -7.23 -1.22 -2.62 120.40 110.55 2dbk s VAL 70 Ca 0.06 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2dbk s VAL 70 Cb 0.09 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2dbk s VAL 70 CO 0.56 -0.04 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.38 2dbk s LYS 71 N -2.32 2.53 -0.01 4.82 2.20 -1.19 -4.82 119.74 120.95 2dbk s LYS 71 Ca 0.15 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 2dbk s LYS 71 Cb -0.09 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 34.12 2dbk s LYS 71 CO 0.07 0.02 1.59 0.42 -0.36 0.00 0.00 175.35 177.09 2dbk s ILE 72 N 0.75 3.49 0.19 5.43 -1.09 -1.26 -3.77 121.20 124.93 2dbk s ILE 72 Ca -0.11 0.75 0.05 0.00 -2.23 0.00 0.00 60.65 59.11 2dbk s ILE 72 Cb -0.16 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2dbk s ILE 72 CO 0.02 -0.04 -0.08 0.72 -1.23 0.00 0.00 174.94 174.33 2dbk s PHE 73 N 3.35 1.46 -0.05 3.97 -0.71 -1.26 -5.05 117.98 119.69 2dbk s PHE 73 Ca 0.71 -0.78 -0.27 0.00 -1.04 0.00 0.00 56.93 55.56 2dbk s PHE 73 Cb -0.34 -0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 40.67 2dbk s PHE 73 CO 0.29 0.10 0.85 0.34 -1.34 0.00 0.00 175.22 175.46 2dbk s ASP 74 N -3.25 7.17 0.16 1.98 2.15 -1.26 -4.83 116.67 118.78 2dbk s ASP 74 Ca 0.22 1.41 0.20 0.00 0.43 0.00 0.00 52.55 54.81 2dbk s ASP 74 Cb 0.03 -2.49 0.83 0.00 -0.30 0.00 0.00 42.92 40.99 2dbk s ASP 74 CO 0.05 -0.22 1.61 -0.81 -0.17 0.00 0.00 175.17 175.62 2dbk n PRO 75 N 4.02 0.12 -3.72 4.34 -0.04 -1.26 -4.89 135.00 133.57 2dbk n PRO 75 Ca 0.03 0.36 -0.25 0.00 -0.04 0.00 0.00 63.50 63.59 2dbk n PRO 75 Cb 0.51 -1.72 0.05 0.00 -0.04 0.00 0.00 33.50 32.30 2dbk n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dbk n GLN 76 N -1.94 -6.56 -2.18 0.54 6.02 -1.26 -4.91 117.38 107.09 2dbk n GLN 76 Ca 0.03 0.72 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 2dbk n GLN 76 Cb 0.20 -5.65 -0.03 0.00 1.02 0.00 0.00 30.24 25.78 2dbk n GLN 76 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2dbk s ASN 77 N -3.54 6.82 0.17 1.08 -0.87 -1.26 -4.89 114.94 112.45 2dbk s ASN 77 Ca 0.49 2.24 0.20 0.00 -1.57 0.00 0.00 52.86 54.23 2dbk s ASN 77 Cb -0.23 -2.57 0.86 0.00 -0.02 0.00 0.00 41.25 39.28 2dbk s ASN 77 CO 0.78 -0.70 1.62 -0.81 -2.57 0.00 0.00 177.10 175.43 2dbk n PRO 78 N 4.70 0.13 0.08 -0.60 -0.04 -1.25 -2.44 135.00 135.58 2dbk n PRO 78 Ca 0.12 0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 2dbk n PRO 78 Cb 0.43 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 2dbk n PRO 78 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2dbk h ASP 79 N 0.00 -0.25 0.03 3.54 3.04 -2.02 -3.41 116.42 117.35 2dbk h ASP 79 Ca 0.00 -0.24 -0.00 0.00 -3.24 0.00 0.00 57.03 53.54 2dbk h ASP 79 Cb 0.32 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 2dbk h ASP 79 CO 0.00 0.27 -0.01 -0.08 -2.04 0.00 0.00 179.24 177.38 2dbk h GLU 80 N -0.94 -0.04 -6.39 4.15 4.57 -1.97 -3.46 114.58 110.50 2dbk h GLU 80 Ca -0.03 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.61 2dbk h GLU 80 Cb 0.48 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2dbk h GLU 80 CO 0.05 -0.02 -0.11 1.21 -1.18 0.00 0.00 179.01 178.95 2dbk s ASN 81 N -3.04 6.68 0.05 1.04 2.47 -1.02 -5.10 114.94 116.03 2dbk s ASN 81 Ca -0.01 0.96 -0.01 0.00 0.42 0.00 0.00 52.86 54.22 2dbk s ASN 81 Cb 0.00 -2.24 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 2dbk s ASN 81 CO 0.02 -0.01 -0.03 -0.70 -3.72 0.00 0.00 177.10 172.66 2dbk s GLU 82 N -2.53 0.60 0.87 0.43 2.12 -1.26 -3.94 118.70 114.99 2dbk s GLU 82 Ca 0.44 -1.19 -0.12 0.00 0.36 0.00 0.00 54.97 54.46 2dbk s GLU 82 Cb -0.12 0.20 0.15 0.00 0.26 0.00 0.00 34.13 34.61 2dbk s GLU 82 CO 0.20 -0.11 1.22 -1.54 -0.54 0.00 0.00 175.26 174.50 2dbk s SER 83 N -2.84 3.78 0.14 -1.70 1.04 -1.26 -5.09 113.70 107.77 2dbk s SER 83 Ca 0.06 0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.93 2dbk s SER 83 Cb 0.07 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 2dbk s SER 83 CO -0.10 -2.31 -0.10 -0.83 0.98 0.00 0.00 173.24 170.89 2dbk s GLY 84 N -4.75 1.75 0.35 7.32 0.00 -1.26 -5.01 107.32 105.72 2dbk s GLY 84 Ca 0.69 -1.35 0.27 0.00 0.00 0.00 0.00 44.72 44.32 2dbk s GLY 84 CO 0.50 -1.35 1.80 -0.56 0.00 0.00 0.00 173.10 173.49 2dbk h PRO 85 N 3.29 0.00 0.01 2.90 0.13 -2.06 -3.14 132.00 133.13 2dbk h PRO 85 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2dbk h PRO 85 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dbk h PRO 85 CO 0.52 0.00 -0.08 0.77 -0.23 0.00 0.00 178.00 178.99 2dbk h SER 86 N 0.00 0.05 -5.20 1.44 0.02 -2.05 -3.48 113.55 104.34 2dbk h SER 86 Ca 0.00 -0.90 -0.34 0.00 -0.84 0.00 0.00 61.79 59.71 2dbk h SER 86 Cb 0.40 -0.02 0.13 0.00 0.14 0.00 0.00 62.40 63.05 2dbk h SER 86 CO 0.00 0.95 -0.60 -0.24 -1.14 0.00 0.00 176.83 175.79 2dbk n SER 87 N -4.60 -5.13 -0.41 3.07 2.88 -1.19 -5.31 113.62 102.93 2dbk n SER 87 Ca -0.10 -0.48 0.05 0.00 -1.33 0.00 0.00 58.87 57.01 2dbk n SER 87 Cb 0.47 -4.45 0.04 0.00 -0.75 0.00 0.00 64.21 59.52 2dbk n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42