#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 -0.41 0.02 1.61 0.15 -1.26 -5.16 113.70 108.65 2dbk s SER 2 Ca 0.00 0.77 -0.28 0.00 0.70 0.00 0.00 55.95 57.14 2dbk s SER 2 Cb 0.00 0.75 0.10 0.00 -1.71 0.00 0.00 66.02 65.16 2dbk s SER 2 CO 0.00 -0.14 1.23 -0.55 1.20 0.00 0.00 173.24 174.98 2dbk s SER 3 N 0.48 -0.03 -0.29 5.45 0.15 -1.26 -5.19 113.70 113.02 2dbk s SER 3 Ca -0.02 -0.26 -0.28 0.00 0.70 0.00 0.00 55.95 56.09 2dbk s SER 3 Cb -0.04 0.23 0.19 0.00 -1.71 0.00 0.00 66.02 64.69 2dbk s SER 3 CO -0.02 -0.43 1.37 -0.83 1.20 0.00 0.00 173.24 174.52 2dbk s GLY 4 N -3.35 0.13 -0.29 9.45 0.00 -1.26 -5.17 107.32 106.83 2dbk s GLY 4 Ca 0.21 2.94 -0.14 0.00 0.00 0.00 0.00 44.72 47.73 2dbk s GLY 4 CO -0.01 1.24 0.79 -0.45 0.00 0.00 0.00 173.10 174.67 2dbk s SER 5 N -0.85 -0.86 0.12 1.64 0.15 -1.26 -5.17 113.70 107.46 2dbk s SER 5 Ca 0.08 1.26 -0.26 0.00 0.70 0.00 0.00 55.95 57.73 2dbk s SER 5 Cb -0.02 1.75 0.07 0.00 -1.71 0.00 0.00 66.02 66.12 2dbk s SER 5 CO -0.09 -0.18 0.99 -0.44 1.20 0.00 0.00 173.24 174.71 2dbk s SER 6 N 2.22 -0.18 0.00 5.45 0.01 -1.26 -5.19 113.70 114.75 2dbk s SER 6 Ca -0.07 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2dbk s SER 6 Cb -0.08 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2dbk s SER 6 CO -0.18 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2dbk n GLY 7 N -0.45 1.09 3.67 3.44 0.00 -1.26 -5.17 105.19 106.51 2dbk n GLY 7 Ca -0.07 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 2dbk n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 8 N -1.60 0.24 -0.04 1.61 0.04 -1.26 -5.05 135.00 128.94 2dbk s PRO 8 Ca 0.00 0.47 -0.04 0.00 0.04 0.00 0.00 61.00 61.46 2dbk s PRO 8 Cb 0.00 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 2dbk s PRO 8 CO 0.00 -2.85 0.18 -0.51 0.04 0.00 0.00 177.00 173.86 2dbk s LEU 9 N -6.52 4.38 0.00 -3.56 1.43 -1.26 -5.11 118.68 108.04 2dbk s LEU 9 Ca 0.66 0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 2dbk s LEU 9 Cb -0.18 -2.45 0.22 0.00 0.03 0.00 0.00 46.19 43.81 2dbk s LEU 9 CO 0.58 0.31 0.80 -0.81 0.23 0.00 0.00 176.35 177.45 2dbk n PRO 10 N 1.29 -2.59 -3.70 1.29 -0.04 -1.26 -5.10 135.00 124.89 2dbk n PRO 10 Ca -0.14 -1.28 -0.14 0.00 -0.04 0.00 0.00 63.50 61.91 2dbk n PRO 10 Cb 0.53 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.71 2dbk n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dbk s SER 11 N -3.65 -0.40 -1.36 3.54 0.15 -1.26 -5.06 113.70 105.67 2dbk s SER 11 Ca 0.52 0.57 -0.10 0.00 0.70 0.00 0.00 55.95 57.64 2dbk s SER 11 Cb -0.05 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.83 2dbk s SER 11 CO 0.40 -0.34 2.56 0.41 1.20 0.00 0.00 173.24 177.47 2dbk n THR 12 N 1.94 3.53 -4.81 6.45 -1.04 -1.26 -4.88 114.28 114.21 2dbk n THR 12 Ca -0.17 -2.28 -0.33 0.00 -2.04 0.00 0.00 64.05 59.22 2dbk n THR 12 Cb 0.57 -2.47 -0.13 0.00 -1.82 0.00 0.00 70.33 66.48 2dbk n THR 12 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2dbk s GLN 13 N 2.84 2.62 -0.68 -2.82 -1.52 -1.26 -5.07 119.66 113.77 2dbk s GLN 13 Ca 0.58 -0.65 0.05 0.00 -1.95 0.00 0.00 55.36 53.38 2dbk s GLN 13 Cb 0.15 -2.45 0.19 0.00 -0.22 0.00 0.00 33.01 30.68 2dbk s GLN 13 CO -0.05 0.61 0.56 0.09 -0.25 0.00 0.00 175.29 176.25 2dbk n ASN 14 N 2.36 3.09 -1.59 5.90 3.02 -1.26 -5.05 115.26 121.73 2dbk n ASN 14 Ca -0.17 -3.25 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 2dbk n ASN 14 Cb 0.52 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2dbk n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dbk n GLY 15 N 1.69 -4.31 3.77 7.41 0.00 -1.26 -4.87 105.19 107.62 2dbk n GLY 15 Ca 0.23 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 2dbk n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 16 N -4.75 3.90 0.01 1.61 0.04 -1.26 -5.03 135.00 129.52 2dbk s PRO 16 Ca 0.00 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.71 2dbk s PRO 16 Cb 0.00 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 2dbk s PRO 16 CO 0.00 -0.45 0.46 0.08 0.04 0.00 0.00 177.00 177.13 2dbk s VAL 17 N -1.47 4.96 -0.08 -0.36 1.01 -1.23 -5.01 120.40 118.23 2dbk s VAL 17 Ca 0.60 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.58 2dbk s VAL 17 Cb -0.30 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2dbk s VAL 17 CO 0.37 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.45 2dbk s PHE 18 N -0.94 2.54 -0.09 5.22 0.40 -1.26 -2.81 117.98 121.04 2dbk s PHE 18 Ca 0.25 -0.72 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 2dbk s PHE 18 Cb -0.17 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2dbk s PHE 18 CO 0.15 -0.21 -0.08 0.00 0.70 0.00 0.00 175.22 175.77 2dbk s ALA 19 N -0.05 1.16 0.19 5.36 0.00 -1.13 -4.29 121.76 123.00 2dbk s ALA 19 Ca -0.06 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2dbk s ALA 19 Cb -0.15 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 2dbk s ALA 19 CO 0.05 -0.20 0.82 0.21 0.00 0.00 0.00 175.76 176.63 2dbk s LYS 20 N 1.29 4.63 -0.58 0.00 2.20 -1.19 -1.69 119.74 124.40 2dbk s LYS 20 Ca -0.03 1.23 -0.28 0.00 -0.36 0.00 0.00 55.97 56.52 2dbk s LYS 20 Cb -0.14 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2dbk s LYS 20 CO -0.03 0.55 1.21 0.00 -0.36 0.00 0.00 175.35 176.72 2dbk s ALA 21 N -1.18 2.98 -0.12 3.13 0.00 -0.95 -1.86 121.76 123.76 2dbk s ALA 21 Ca 0.37 -0.82 0.18 0.00 0.00 0.00 0.00 51.96 51.69 2dbk s ALA 21 Cb -0.23 -4.05 0.30 0.00 0.00 0.00 0.00 23.12 19.13 2dbk s ALA 21 CO 0.27 -2.69 1.55 -0.84 0.00 0.00 0.00 175.76 174.05 2dbk h ILE 22 N 6.17 0.70 -4.15 0.00 3.07 -1.89 -2.92 117.51 118.49 2dbk h ILE 22 Ca -0.25 -1.82 -0.58 0.00 1.55 0.00 0.00 64.86 63.76 2dbk h ILE 22 Cb 1.06 2.22 -0.25 0.00 -0.27 0.00 0.00 36.82 39.58 2dbk h ILE 22 CO 1.19 0.37 -0.84 -1.10 -1.05 0.00 0.00 178.15 176.72 2dbk s GLN 23 N -3.16 1.36 -0.02 0.16 -1.52 -1.24 -4.91 119.66 110.34 2dbk s GLN 23 Ca 0.03 -0.96 -0.30 0.00 -1.95 0.00 0.00 55.36 52.19 2dbk s GLN 23 Cb 0.08 -1.49 -0.06 0.00 -0.22 0.00 0.00 33.01 31.32 2dbk s GLN 23 CO 0.71 0.38 1.64 0.21 -0.25 0.00 0.00 175.29 177.98 2dbk s LYS 24 N -1.24 4.19 -0.19 2.91 2.20 -1.26 -4.59 119.74 121.76 2dbk s LYS 24 Ca 0.07 2.21 -0.02 0.00 -0.36 0.00 0.00 55.97 57.88 2dbk s LYS 24 Cb -0.09 -3.88 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 2dbk s LYS 24 CO 0.02 -0.81 -0.09 0.50 -0.36 0.00 0.00 175.35 174.61 2dbk s ARG 25 N 3.65 3.32 -0.11 4.03 3.00 -1.12 -5.00 118.95 126.71 2dbk s ARG 25 Ca 0.73 -0.67 0.00 0.00 -1.00 0.00 0.00 55.73 54.79 2dbk s ARG 25 Cb -0.35 -2.84 0.02 0.00 0.00 0.00 0.00 34.95 31.78 2dbk s ARG 25 CO 0.30 -0.09 -0.10 0.14 0.00 0.00 0.00 175.30 175.55 2dbk s VAL 26 N 1.16 1.16 0.00 7.11 -7.23 -1.26 -1.63 120.40 119.70 2dbk s VAL 26 Ca 0.01 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 2dbk s VAL 26 Cb -0.14 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.61 2dbk s VAL 26 CO -0.03 0.38 1.45 -2.16 -0.31 0.00 0.00 175.10 174.44 2dbk s PRO 27 N 1.48 4.26 0.56 4.82 0.04 -1.26 -4.97 135.00 139.93 2dbk s PRO 27 Ca 0.02 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 2dbk s PRO 27 Cb -0.13 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.72 2dbk s PRO 27 CO -0.07 -0.62 0.79 0.00 0.04 0.00 0.00 177.00 177.14 2dbk h ALA 29 N 0.54 -0.01 -0.10 0.00 0.00 -2.04 0.31 119.26 117.95 2dbk h ALA 29 Ca -0.47 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2dbk h ALA 29 Cb 1.38 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 2dbk h ALA 29 CO 0.50 -0.66 -0.24 1.88 0.00 0.00 0.00 179.25 180.73 2dbk h TYR 30 N -0.14 0.19 -3.53 0.00 -1.99 -2.04 -3.42 116.97 106.04 2dbk h TYR 30 Ca 0.24 -0.03 -0.52 0.00 2.00 0.00 0.00 58.73 60.42 2dbk h TYR 30 Cb 0.55 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 2dbk h TYR 30 CO -0.65 0.41 0.35 0.34 -0.00 0.00 0.00 178.16 178.61 2dbk s ASP 31 N -6.90 7.46 0.00 3.88 -1.08 0.11 -4.91 116.67 115.23 2dbk s ASP 31 Ca -0.05 1.75 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 2dbk s ASP 31 Cb 0.15 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2dbk s ASP 31 CO 0.74 -0.10 0.00 0.29 0.52 0.00 0.00 175.17 176.62 2dbk n LYS 32 N 2.99 2.50 0.19 4.34 4.76 -1.26 -4.23 118.16 127.45 2dbk n LYS 32 Ca 0.03 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.50 2dbk n LYS 32 Cb 0.50 -0.82 0.39 0.00 -1.84 0.00 0.00 35.03 33.26 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2dbk h THR 33 N 0.00 1.23 -3.01 -0.18 1.35 -1.91 -3.44 112.91 106.97 2dbk h THR 33 Ca 0.00 -1.11 -0.53 0.00 -0.55 0.00 0.00 66.41 64.22 2dbk h THR 33 Cb 0.55 1.60 0.05 0.00 -1.73 0.00 0.00 68.15 68.61 2dbk h THR 33 CO 0.00 0.32 0.83 0.00 -0.25 0.00 0.00 175.52 176.42 2dbk s ALA 34 N -4.31 3.72 0.18 6.62 0.00 -1.26 0.50 121.76 127.21 2dbk s ALA 34 Ca -0.03 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 2dbk s ALA 34 Cb 0.15 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2dbk s ALA 34 CO 0.72 -0.76 1.04 -1.17 0.00 0.00 0.00 175.76 175.59 2dbk s LEU 35 N 0.67 4.53 -0.16 0.00 0.20 -1.13 -4.66 118.68 118.13 2dbk s LEU 35 Ca 0.66 2.01 -0.14 0.00 0.69 0.00 0.00 54.13 57.36 2dbk s LEU 35 Cb -0.43 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.68 2dbk s LEU 35 CO 0.35 -0.10 0.31 0.00 -0.29 0.00 0.00 176.35 176.61 2dbk s ALA 36 N -0.46 3.58 0.16 5.97 0.00 -1.26 -4.56 121.76 125.18 2dbk s ALA 36 Ca 0.47 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 2dbk s ALA 36 Cb -0.28 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 2dbk s ALA 36 CO 0.34 0.07 0.19 -0.51 0.00 0.00 0.00 175.76 175.85 2dbk s LEU 37 N 0.51 1.27 0.02 0.00 1.43 -0.64 -4.93 118.68 116.33 2dbk s LEU 37 Ca 0.17 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2dbk s LEU 37 Cb -0.13 0.79 -0.02 0.00 0.03 0.00 0.00 46.19 46.86 2dbk s LEU 37 CO 0.04 -0.84 -0.08 -1.83 0.23 0.00 0.00 176.35 173.88 2dbk s GLU 38 N -4.02 0.59 -0.45 1.70 -1.05 -1.26 -2.81 118.70 111.40 2dbk s GLU 38 Ca 0.22 -0.52 -0.40 0.00 -0.15 0.00 0.00 54.97 54.12 2dbk s GLU 38 Cb 0.05 -0.50 -0.17 0.00 -0.44 0.00 0.00 34.13 33.07 2dbk s GLU 38 CO 0.02 0.12 1.90 0.28 0.95 0.00 0.00 175.26 178.53 2dbk n VAL 39 N 2.19 0.00 -0.14 1.83 0.31 -1.26 -1.81 118.33 119.45 2dbk n VAL 39 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2dbk n VAL 39 Cb 0.56 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2dbk n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dbk n GLY 40 N 6.60 0.90 3.04 2.92 0.00 -1.10 -5.07 105.19 112.47 2dbk n GLY 40 Ca 0.48 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.87 2.29 -0.25 1.61 1.11 -0.75 -4.98 116.67 113.84 2dbk s ASP 41 Ca 0.00 -0.39 -0.29 0.00 0.18 0.00 0.00 52.55 52.05 2dbk s ASP 41 Cb 0.00 -1.02 0.01 0.00 1.07 0.00 0.00 42.92 42.98 2dbk s ASP 41 CO 0.00 0.01 1.10 -0.63 1.18 0.00 0.00 175.17 176.83 2dbk s ILE 42 N 0.98 4.55 -0.54 0.77 -1.09 -1.26 -2.24 121.20 122.36 2dbk s ILE 42 Ca -0.07 1.84 -0.17 0.00 -2.23 0.00 0.00 60.65 60.02 2dbk s ILE 42 Cb -0.15 -4.28 0.12 0.00 -1.58 0.00 0.00 42.46 36.57 2dbk s ILE 42 CO -0.01 -0.26 0.53 -0.69 -1.23 0.00 0.00 174.94 173.27 2dbk s VAL 43 N 3.42 5.13 -0.53 2.92 1.01 -0.68 -4.86 120.40 126.83 2dbk s VAL 43 Ca 0.47 -1.32 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2dbk s VAL 43 Cb -0.15 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 31.92 2dbk s VAL 43 CO 0.11 -0.87 1.12 -0.75 0.00 0.00 0.00 175.10 174.70 2dbk s LYS 44 N 1.83 3.58 -0.13 2.72 2.20 -1.26 -2.83 119.74 125.86 2dbk s LYS 44 Ca 0.05 0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2dbk s LYS 44 Cb -0.28 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 2dbk s LYS 44 CO 0.04 -1.50 -0.03 0.54 -0.36 0.00 0.00 175.35 174.05 2dbk s VAL 45 N 4.54 4.03 -0.09 4.02 0.11 -1.12 -2.14 120.40 129.75 2dbk s VAL 45 Ca 0.43 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2dbk s VAL 45 Cb -0.08 -2.74 -0.11 0.00 -1.53 0.00 0.00 36.38 31.93 2dbk s VAL 45 CO 0.28 0.53 0.02 0.35 -3.33 0.00 0.00 175.10 172.95 2dbk n THR 46 N 3.01 0.62 -4.45 5.04 -2.24 -1.20 -3.51 114.28 111.56 2dbk n THR 46 Ca -0.18 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 2dbk n THR 46 Cb 0.53 -0.77 -0.17 0.00 -2.10 0.00 0.00 70.33 67.82 2dbk n THR 46 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2dbk s ARG 47 N -2.22 2.41 -0.21 -0.78 6.06 -1.25 -5.00 118.95 117.97 2dbk s ARG 47 Ca -0.05 -0.63 -0.01 0.00 -2.50 0.00 0.00 55.73 52.54 2dbk s ARG 47 Cb 0.03 -2.04 0.01 0.00 0.06 0.00 0.00 34.95 33.01 2dbk s ARG 47 CO 0.36 -0.07 -0.12 -1.64 -2.50 0.00 0.00 175.30 171.33 2dbk s MET 48 N 1.01 3.09 0.41 5.12 -1.94 -1.26 -0.58 119.30 125.16 2dbk s MET 48 Ca -0.05 -0.79 -0.23 0.00 -1.71 0.00 0.00 55.69 52.91 2dbk s MET 48 Cb -0.15 -2.81 -0.09 0.00 2.01 0.00 0.00 34.83 33.80 2dbk s MET 48 CO -0.03 -0.24 1.03 -0.80 -0.01 0.00 0.00 175.02 174.97 2dbk s ASN 49 N 1.36 6.75 0.14 3.03 0.01 -1.16 -4.97 114.94 120.11 2dbk s ASN 49 Ca 0.04 1.98 -0.17 0.00 -0.71 0.00 0.00 52.86 54.00 2dbk s ASN 49 Cb -0.14 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 2dbk s ASN 49 CO -0.08 -0.49 1.79 0.40 -1.51 0.00 0.00 177.10 177.21 2dbk h ILE 50 N 2.11 1.09 -0.97 0.60 2.04 -2.00 -2.63 117.51 117.76 2dbk h ILE 50 Ca -0.48 -0.19 0.32 0.00 1.00 0.00 0.00 64.86 65.51 2dbk h ILE 50 Cb 1.21 0.61 -0.17 0.00 -0.74 0.00 0.00 36.82 37.74 2dbk h ILE 50 CO 0.62 0.09 0.33 -0.55 0.00 0.00 0.00 178.15 178.64 2dbk h ASN 51 N 0.45 0.05 0.00 1.72 -1.07 -2.06 -3.45 115.58 111.23 2dbk h ASN 51 Ca 0.12 0.24 0.00 0.00 0.07 0.00 0.00 56.30 56.73 2dbk h ASN 51 Cb -0.04 0.31 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 2dbk h ASN 51 CO -0.03 -0.30 0.00 0.61 0.07 0.00 0.00 177.43 177.78 2dbk n GLY 52 N -1.36 3.66 3.69 9.14 0.00 -0.99 -5.11 105.19 114.22 2dbk n GLY 52 Ca 0.29 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 4.29 0.42 1.61 1.11 -1.26 -4.58 119.66 121.25 2dbk s GLN 53 Ca 0.00 1.93 0.08 0.00 0.01 0.00 0.00 55.36 57.38 2dbk s GLN 53 Cb 0.00 -3.57 0.00 0.00 -1.01 0.00 0.00 33.01 28.43 2dbk s GLN 53 CO 0.00 -0.56 0.51 -1.58 0.01 0.00 0.00 175.29 173.67 2dbk s TRP 54 N 2.36 2.74 -0.26 0.91 0.51 -1.25 -2.97 118.94 120.97 2dbk s TRP 54 Ca 0.63 -0.44 -0.03 0.00 -2.12 0.00 0.00 56.10 54.14 2dbk s TRP 54 Cb -0.31 -2.30 0.02 0.00 -0.81 0.00 0.00 33.47 30.08 2dbk s TRP 54 CO 0.26 -0.33 -0.02 -2.00 -0.51 0.00 0.00 176.95 174.35 2dbk s GLU 55 N -4.28 2.85 0.18 4.98 2.12 0.26 -3.82 118.70 120.98 2dbk s GLU 55 Ca 0.53 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.92 2dbk s GLU 55 Cb -0.07 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2dbk s GLU 55 CO 0.31 -0.43 -0.06 0.20 -0.54 0.00 0.00 175.26 174.74 2dbk s GLY 56 N 1.36 1.25 -0.14 -1.50 0.00 -1.25 -3.24 107.32 103.80 2dbk s GLY 56 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 44.72 43.15 2dbk s GLY 56 CO -0.02 -1.61 -0.22 1.85 0.00 0.00 0.00 173.10 173.09 2dbk s GLU 57 N -3.80 3.02 -0.07 2.90 -6.30 -0.91 -3.55 118.70 110.00 2dbk s GLU 57 Ca 0.21 -0.85 -0.05 0.00 -2.50 0.00 0.00 54.97 51.78 2dbk s GLU 57 Cb 0.04 -2.44 0.03 0.00 0.00 0.00 0.00 34.13 31.75 2dbk s GLU 57 CO 0.04 -0.02 0.18 0.08 0.02 0.00 0.00 175.26 175.56 2dbk s VAL 58 N 0.82 -0.02 -1.45 3.70 1.01 -0.40 -4.00 120.40 120.06 2dbk s VAL 58 Ca -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2dbk s VAL 58 Cb -0.15 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.97 2dbk s VAL 58 CO -0.02 0.03 0.40 0.59 0.00 0.00 0.00 175.10 176.09 2dbk n ASN 59 N 3.45 -0.43 -3.79 3.32 4.13 -1.26 -0.71 115.26 119.97 2dbk n ASN 59 Ca -0.18 -1.04 -0.26 0.00 1.68 0.00 0.00 54.58 54.78 2dbk n ASN 59 Cb 0.56 -2.85 0.04 0.00 -1.54 0.00 0.00 39.78 35.99 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dbk n GLY 60 N -2.01 -0.42 3.04 7.41 0.00 -1.26 -4.98 105.19 106.96 2dbk n GLY 60 Ca -0.28 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.33 0.22 -0.20 1.61 6.06 0.11 -5.14 118.95 115.28 2dbk s ARG 61 Ca 0.40 0.11 0.01 0.00 -2.50 0.00 0.00 55.73 53.75 2dbk s ARG 61 Cb -0.20 0.10 0.04 0.00 0.06 0.00 0.00 34.95 34.95 2dbk s ARG 61 CO 0.81 -0.03 -0.12 0.15 -2.50 0.00 0.00 175.30 173.61 2dbk s LYS 62 N -0.15 2.23 0.21 5.12 -0.14 -1.26 -1.27 119.74 124.49 2dbk s LYS 62 Ca -0.02 -0.88 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 2dbk s LYS 62 Cb -0.02 -2.47 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 2dbk s LYS 62 CO 0.00 -0.39 0.50 0.20 -0.76 0.00 0.00 175.35 174.90 2dbk s GLY 63 N 1.35 0.13 -0.18 -3.33 0.00 -1.23 -4.81 107.32 99.24 2dbk s GLY 63 Ca -0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 44.72 44.05 2dbk s GLY 63 CO -0.09 -0.41 0.57 1.08 0.00 0.00 0.00 173.10 174.25 2dbk s LEU 64 N -2.92 4.17 0.02 0.66 1.43 0.18 -3.86 118.68 118.36 2dbk s LEU 64 Ca 0.13 0.78 0.07 0.00 -1.03 0.00 0.00 54.13 54.09 2dbk s LEU 64 Cb -0.01 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 2dbk s LEU 64 CO 0.01 -0.19 -0.21 0.72 0.23 0.00 0.00 176.35 176.91 2dbk s PHE 65 N 1.57 1.86 0.06 0.29 -0.71 -1.25 -2.86 117.98 116.94 2dbk s PHE 65 Ca 0.27 -0.37 -0.31 0.00 -1.04 0.00 0.00 56.93 55.49 2dbk s PHE 65 Cb -0.16 -1.15 -0.07 0.00 -1.21 0.00 0.00 43.02 40.44 2dbk s PHE 65 CO 0.10 0.04 1.41 -1.25 -1.34 0.00 0.00 175.22 174.18 2dbk s PRO 66 N -0.87 4.30 0.46 1.99 0.04 -1.26 -3.95 135.00 135.72 2dbk s PRO 66 Ca 0.08 2.03 0.31 0.00 0.04 0.00 0.00 61.00 63.46 2dbk s PRO 66 Cb -0.08 -3.43 1.70 0.00 0.04 0.00 0.00 34.50 32.72 2dbk s PRO 66 CO 0.01 -0.51 1.96 0.27 0.04 0.00 0.00 177.00 178.76 2dbk h PHE 67 N 7.39 0.00 -0.05 0.56 -5.15 -1.91 -0.96 116.94 116.81 2dbk h PHE 67 Ca -0.40 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.17 2dbk h PHE 67 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.36 2dbk h PHE 67 CO 0.71 0.00 -0.81 1.79 -2.00 0.00 0.00 178.31 178.00 2dbk h THR 68 N 0.00 1.39 -0.28 0.88 1.35 -1.96 -3.18 112.91 111.10 2dbk h THR 68 Ca 0.00 -2.27 -0.08 0.00 -0.55 0.00 0.00 66.41 63.51 2dbk h THR 68 Cb 0.00 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.64 2dbk h THR 68 CO 0.00 0.68 -0.15 0.45 -0.25 0.00 0.00 175.52 176.25 2dbk h HIS 69 N 0.25 0.54 -1.75 4.73 3.86 -1.56 -3.44 115.15 117.78 2dbk h HIS 69 Ca -0.05 -0.09 -0.43 0.00 -1.16 0.00 0.00 60.37 58.65 2dbk h HIS 69 Cb 1.41 -0.14 0.03 0.00 1.06 0.00 0.00 27.41 29.76 2dbk h HIS 69 CO 0.05 0.63 -0.19 0.14 0.86 0.00 0.00 177.93 179.41 2dbk s VAL 70 N -4.68 2.90 -0.08 2.45 -7.23 -1.20 -3.23 120.40 109.33 2dbk s VAL 70 Ca -0.07 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 2dbk s VAL 70 Cb 0.14 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 34.11 2dbk s VAL 70 CO 0.78 0.00 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.74 2dbk s LYS 71 N -4.47 1.37 -0.70 4.82 2.47 -0.78 -4.89 119.74 117.56 2dbk s LYS 71 Ca 0.56 -0.25 -0.26 0.00 -1.56 0.00 0.00 55.97 54.45 2dbk s LYS 71 Cb -0.10 -1.31 -0.00 0.00 -1.46 0.00 0.00 37.83 34.96 2dbk s LYS 71 CO 0.35 -0.12 1.66 0.42 0.16 0.00 0.00 175.35 177.82 2dbk s ILE 72 N 1.15 3.51 0.44 5.43 -1.09 -1.26 -3.20 121.20 126.18 2dbk s ILE 72 Ca -0.06 0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.57 2dbk s ILE 72 Cb -0.14 -4.33 0.06 0.00 -1.58 0.00 0.00 42.46 36.47 2dbk s ILE 72 CO -0.02 -1.28 0.47 2.22 -1.23 0.00 0.00 174.94 175.11 2dbk n PHE 73 N 11.57 -1.64 -3.56 3.97 -1.74 -1.26 -5.08 117.46 119.73 2dbk n PHE 73 Ca 0.17 -1.71 -0.40 0.00 -0.56 0.00 0.00 57.45 54.95 2dbk n PHE 73 Cb 0.51 -0.39 -0.06 0.00 1.52 0.00 0.00 39.48 41.06 2dbk n PHE 73 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2dbk s ASP 74 N -3.63 5.99 0.00 5.98 1.47 -1.26 -4.89 116.67 120.33 2dbk s ASP 74 Ca 0.36 -3.02 0.12 0.00 1.18 0.00 0.00 52.55 51.18 2dbk s ASP 74 Cb -0.03 -2.00 0.73 0.00 -0.34 0.00 0.00 42.92 41.28 2dbk s ASP 74 CO 0.23 -0.39 1.16 -0.81 0.68 0.00 0.00 175.17 176.03 2dbk n PRO 75 N 3.36 0.48 -0.83 2.11 -0.04 -1.26 -3.77 135.00 135.05 2dbk n PRO 75 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2dbk n PRO 75 Cb 0.41 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.89 1.59 -3.77 0.54 1.13 -1.26 -4.69 117.38 110.03 2dbk n GLN 76 Ca 0.09 -0.96 -0.33 0.00 -1.94 0.00 0.00 57.00 53.86 2dbk n GLN 76 Cb 0.04 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 28.80 2dbk n GLN 76 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2dbk s ASN 77 N 1.20 5.28 0.00 1.08 0.01 -1.25 -4.90 114.94 116.36 2dbk s ASN 77 Ca 0.28 -3.44 0.15 0.00 -0.71 0.00 0.00 52.86 49.15 2dbk s ASN 77 Cb 0.18 -1.79 0.90 0.00 0.41 0.00 0.00 41.25 40.94 2dbk s ASN 77 CO -0.03 -0.21 1.35 -0.81 -1.51 0.00 0.00 177.10 175.89 2dbk n PRO 78 N 2.64 0.44 -0.03 -0.60 -0.04 -1.26 -2.87 135.00 133.28 2dbk n PRO 78 Ca 0.15 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.43 2dbk n PRO 78 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 2dbk n PRO 78 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dbk h ASP 79 N 0.00 0.24 -3.57 3.54 3.32 -1.98 -3.44 116.42 114.53 2dbk h ASP 79 Ca 0.00 -0.79 -0.64 0.00 0.02 0.00 0.00 57.03 55.62 2dbk h ASP 79 Cb 0.02 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 39.10 2dbk h ASP 79 CO 0.00 1.52 -0.73 -1.61 -1.72 0.00 0.00 179.24 176.70 2dbk s GLU 80 N -2.42 1.30 -0.20 3.56 0.41 -1.14 -5.06 118.70 115.15 2dbk s GLU 80 Ca -0.22 -1.70 -0.05 0.00 -0.41 0.00 0.00 54.97 52.59 2dbk s GLU 80 Cb 0.04 -2.90 0.10 0.00 -1.78 0.00 0.00 34.13 29.59 2dbk s GLU 80 CO 0.71 -0.96 0.36 0.54 -0.49 0.00 0.00 175.26 175.42 2dbk s ASN 81 N 1.05 0.15 0.75 -0.19 2.20 -1.26 -4.87 114.94 112.77 2dbk s ASN 81 Ca 0.11 0.58 -0.15 0.00 -0.94 0.00 0.00 52.86 52.46 2dbk s ASN 81 Cb -0.19 1.07 0.05 0.00 -2.00 0.00 0.00 41.25 40.17 2dbk s ASN 81 CO -0.12 -0.26 1.20 1.21 -2.94 0.00 0.00 177.10 176.19 2dbk n GLU 82 N 5.37 0.49 -0.10 3.55 4.07 -1.26 -4.93 120.64 127.83 2dbk n GLU 82 Ca -0.06 0.24 -0.12 0.00 -0.06 0.00 0.00 57.16 57.16 2dbk n GLU 82 Cb 0.50 -2.44 -0.04 0.00 -0.06 0.00 0.00 31.44 29.40 2dbk n GLU 82 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2dbk h SER 83 N -0.41 0.59 0.00 4.31 0.87 -2.05 -3.45 113.55 113.40 2dbk h SER 83 Ca -0.48 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 2dbk h SER 83 Cb 1.32 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2dbk h SER 83 CO 0.48 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 178.23 2dbk n GLY 84 N -0.12 -1.53 3.56 5.77 0.00 -1.26 -5.09 105.19 106.53 2dbk n GLY 84 Ca -0.03 0.82 -0.27 0.00 0.00 0.00 0.00 46.02 46.54 2dbk n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbk s PRO 85 N 0.00 2.55 -0.22 1.61 0.04 -1.26 -4.86 135.00 132.86 2dbk s PRO 85 Ca 0.00 -0.36 -0.27 0.00 0.04 0.00 0.00 61.00 60.41 2dbk s PRO 85 Cb 0.00 -5.08 0.10 0.00 0.04 0.00 0.00 34.50 29.56 2dbk s PRO 85 CO 0.00 -3.43 0.89 -1.12 0.04 0.00 0.00 177.00 173.38 2dbk s SER 86 N 7.91 -0.54 0.10 6.66 0.01 -1.26 -5.08 113.70 121.50 2dbk s SER 86 Ca 0.70 0.91 -0.31 0.00 1.31 0.00 0.00 55.95 58.56 2dbk s SER 86 Cb -0.06 0.87 -0.09 0.00 0.21 0.00 0.00 66.02 66.95 2dbk s SER 86 CO 0.00 -0.28 1.58 -0.44 0.41 0.00 0.00 173.24 174.51 2dbk s SER 87 N -0.21 6.64 0.00 2.44 0.01 -1.26 -5.25 113.70 116.07 2dbk s SER 87 Ca -0.01 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2dbk s SER 87 Cb -0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2dbk s SER 87 CO -0.00 -0.83 0.46 0.61 0.41 0.00 0.00 173.24 173.88