#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbk h SER 2 N 0.00 0.07 -5.40 1.61 4.64 -2.15 -3.43 113.55 108.89 2dbk h SER 2 Ca 0.00 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 2dbk h SER 2 Cb 0.00 -0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2dbk h SER 2 CO 0.00 0.03 -0.28 -0.44 -0.87 0.00 0.00 176.83 175.26 2dbk s SER 3 N -5.67 0.18 0.00 4.97 0.01 -1.26 -5.16 113.70 106.77 2dbk s SER 3 Ca -0.06 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2dbk s SER 3 Cb 0.22 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.99 2dbk s SER 3 CO 0.77 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2dbk n GLY 4 N -0.38 3.42 3.66 3.44 0.00 -1.26 -5.19 105.19 108.87 2dbk n GLY 4 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 2dbk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbk s SER 5 N 1.00 0.45 0.12 1.61 0.15 -1.26 -5.18 113.70 110.59 2dbk s SER 5 Ca 0.00 -1.31 0.08 0.00 0.70 0.00 0.00 55.95 55.42 2dbk s SER 5 Cb 0.00 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 2dbk s SER 5 CO 0.00 -1.51 -0.13 -0.44 1.20 0.00 0.00 173.24 172.36 2dbk s SER 6 N -3.15 4.15 -0.82 5.45 0.01 -1.26 -5.09 113.70 113.00 2dbk s SER 6 Ca 0.22 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 2dbk s SER 6 Cb -0.03 -0.69 0.20 0.00 0.21 0.00 0.00 66.02 65.72 2dbk s SER 6 CO 0.16 0.16 0.68 -0.83 0.41 0.00 0.00 173.24 173.82 2dbk s GLY 7 N -2.30 2.91 0.00 3.44 0.00 -1.26 -5.07 107.32 105.04 2dbk s GLY 7 Ca 0.21 -3.67 0.00 0.00 0.00 0.00 0.00 44.72 41.25 2dbk s GLY 7 CO 0.12 1.17 0.00 -1.55 0.00 0.00 0.00 173.10 172.84 2dbk n PRO 8 N 2.68 -0.59 -4.20 2.90 -0.04 -1.26 -5.09 135.00 129.39 2dbk n PRO 8 Ca 0.18 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 2dbk n PRO 8 Cb 0.37 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.72 2dbk n PRO 8 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2dbk s LEU 9 N 0.00 2.40 -0.03 1.53 -0.00 -1.26 -5.12 118.68 116.20 2dbk s LEU 9 Ca 0.00 -0.80 -0.30 0.00 -0.00 0.00 0.00 54.13 53.03 2dbk s LEU 9 Cb 0.00 -0.42 -0.05 0.00 -0.00 0.00 0.00 46.19 45.72 2dbk s LEU 9 CO 0.00 -0.20 1.47 -2.16 -0.00 0.00 0.00 176.35 175.46 2dbk s PRO 10 N -2.70 4.24 -0.18 1.48 0.04 -1.26 -5.01 135.00 131.62 2dbk s PRO 10 Ca 0.07 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 2dbk s PRO 10 Cb -0.04 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2dbk s PRO 10 CO 0.01 -0.68 0.07 0.45 0.04 0.00 0.00 177.00 176.90 2dbk s SER 11 N 2.31 5.71 -0.54 6.66 0.15 -1.26 -5.02 113.70 121.71 2dbk s SER 11 Ca 0.66 0.11 -0.28 0.00 0.70 0.00 0.00 55.95 57.14 2dbk s SER 11 Cb -0.31 -1.97 -0.10 0.00 -1.71 0.00 0.00 66.02 61.93 2dbk s SER 11 CO 0.26 0.19 2.43 0.35 1.20 0.00 0.00 173.24 177.67 2dbk n THR 12 N 3.42 0.01 -3.46 6.45 -2.24 -1.26 -4.86 114.28 112.33 2dbk n THR 12 Ca -0.17 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 60.95 2dbk n THR 12 Cb 0.52 -2.21 -0.03 0.00 -2.10 0.00 0.00 70.33 66.52 2dbk n THR 12 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2dbk s GLN 13 N 7.98 1.08 0.62 -0.78 0.74 -1.26 -5.16 119.66 122.88 2dbk s GLN 13 Ca 1.07 -0.30 -0.18 0.00 0.05 0.00 0.00 55.36 56.00 2dbk s GLN 13 Cb -0.48 0.50 -0.02 0.00 1.10 0.00 0.00 33.01 34.11 2dbk s GLN 13 CO 0.34 -0.45 1.19 0.54 -0.55 0.00 0.00 175.29 176.35 2dbk s ASN 14 N -2.39 5.08 0.43 6.67 2.20 -1.26 -5.04 114.94 120.63 2dbk s ASN 14 Ca 0.01 2.31 0.08 0.00 -0.94 0.00 0.00 52.86 54.31 2dbk s ASN 14 Cb -0.01 -2.59 -0.01 0.00 -2.00 0.00 0.00 41.25 36.64 2dbk s ASN 14 CO -0.08 -1.66 0.40 -0.83 -2.94 0.00 0.00 177.10 171.98 2dbk s GLY 15 N -1.81 2.14 0.69 0.45 0.00 -1.26 -5.11 107.32 102.42 2dbk s GLY 15 Ca 0.75 -1.84 -0.14 0.00 0.00 0.00 0.00 44.72 43.49 2dbk s GLY 15 CO 0.35 -1.72 1.11 2.56 0.00 0.00 0.00 173.10 175.40 2dbk s PRO 16 N -4.17 2.67 0.18 2.90 0.04 -1.26 -5.01 135.00 130.35 2dbk s PRO 16 Ca 0.48 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 2dbk s PRO 16 Cb -0.03 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 2dbk s PRO 16 CO 0.28 -1.35 0.94 0.08 0.04 0.00 0.00 177.00 177.00 2dbk s VAL 17 N -2.48 4.27 -0.15 -0.36 1.01 -1.21 -4.97 120.40 116.51 2dbk s VAL 17 Ca 0.65 2.07 -0.01 0.00 0.00 0.00 0.00 61.98 64.69 2dbk s VAL 17 Cb -0.20 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 2dbk s VAL 17 CO 0.45 0.42 -0.11 -0.36 0.00 0.00 0.00 175.10 175.50 2dbk s PHE 18 N -0.64 2.85 -0.08 5.22 0.08 -1.26 -2.56 117.98 121.59 2dbk s PHE 18 Ca 0.43 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 2dbk s PHE 18 Cb -0.25 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.34 2dbk s PHE 18 CO 0.31 -0.26 0.04 0.00 -0.10 0.00 0.00 175.22 175.21 2dbk s ALA 19 N 0.55 0.47 0.16 5.36 0.00 -1.15 -3.47 121.76 123.70 2dbk s ALA 19 Ca -0.07 -0.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 2dbk s ALA 19 Cb -0.15 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 22.13 2dbk s ALA 19 CO 0.03 -0.61 0.75 -1.59 0.00 0.00 0.00 175.76 174.34 2dbk s LYS 20 N 2.08 4.50 -0.50 0.00 -2.85 -1.21 0.03 119.74 121.78 2dbk s LYS 20 Ca 0.04 1.09 -0.28 0.00 -1.00 0.00 0.00 55.97 55.82 2dbk s LYS 20 Cb -0.13 -3.22 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 2dbk s LYS 20 CO -0.05 0.56 1.53 0.00 0.10 0.00 0.00 175.35 177.49 2dbk s ALA 21 N -1.19 2.79 0.27 0.59 0.00 -0.04 -2.61 121.76 121.57 2dbk s ALA 21 Ca 0.36 -0.40 0.15 0.00 0.00 0.00 0.00 51.96 52.06 2dbk s ALA 21 Cb -0.22 -4.08 0.64 0.00 0.00 0.00 0.00 23.12 19.46 2dbk s ALA 21 CO 0.25 -2.89 1.74 -0.84 0.00 0.00 0.00 175.76 174.02 2dbk h ILE 22 N 6.53 1.14 -4.00 0.00 3.07 -1.88 -1.59 117.51 120.78 2dbk h ILE 22 Ca -0.28 -1.59 -0.63 0.00 1.55 0.00 0.00 64.86 63.91 2dbk h ILE 22 Cb 1.12 1.90 -0.23 0.00 -0.27 0.00 0.00 36.82 39.33 2dbk h ILE 22 CO 1.14 0.43 -0.85 -1.10 -1.05 0.00 0.00 178.15 176.71 2dbk s GLN 23 N -3.79 1.36 0.09 0.16 -1.52 -1.20 -4.82 119.66 109.94 2dbk s GLN 23 Ca -0.01 -1.20 -0.31 0.00 -1.95 0.00 0.00 55.36 51.89 2dbk s GLN 23 Cb 0.13 -1.69 -0.08 0.00 -0.22 0.00 0.00 33.01 31.15 2dbk s GLN 23 CO 0.71 0.41 1.43 0.21 -0.25 0.00 0.00 175.29 177.81 2dbk s LYS 24 N -1.78 4.29 -0.23 2.91 2.20 -1.26 -4.32 119.74 121.54 2dbk s LYS 24 Ca 0.10 2.10 -0.04 0.00 -0.36 0.00 0.00 55.97 57.77 2dbk s LYS 24 Cb -0.10 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2dbk s LYS 24 CO 0.04 -0.51 -0.02 0.50 -0.36 0.00 0.00 175.35 175.00 2dbk s ARG 25 N 1.57 3.30 -0.45 4.03 6.06 -0.50 -4.94 118.95 128.02 2dbk s ARG 25 Ca 0.66 -0.68 0.03 0.00 -2.50 0.00 0.00 55.73 53.24 2dbk s ARG 25 Cb -0.36 -3.07 0.12 0.00 0.06 0.00 0.00 34.95 31.70 2dbk s ARG 25 CO 0.30 -0.25 0.20 0.08 -2.50 0.00 0.00 175.30 173.13 2dbk s VAL 26 N 1.47 2.15 0.83 7.11 1.01 -1.26 -2.65 120.40 129.07 2dbk s VAL 26 Ca 0.05 -2.81 -0.11 0.00 0.00 0.00 0.00 61.98 59.11 2dbk s VAL 26 Cb -0.15 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.79 2dbk s VAL 26 CO -0.02 -0.76 1.09 -2.16 0.00 0.00 0.00 175.10 173.24 2dbk s PRO 27 N 0.25 1.79 0.26 2.72 0.04 -1.26 -5.00 135.00 133.79 2dbk s PRO 27 Ca 0.15 1.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 2dbk s PRO 27 Cb -0.23 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2dbk s PRO 27 CO -0.04 -1.92 1.05 0.00 0.04 0.00 0.00 177.00 176.14 2dbk h ALA 29 N 4.07 1.59 0.00 0.00 0.00 -2.01 0.12 119.26 123.04 2dbk h ALA 29 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2dbk h ALA 29 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2dbk h ALA 29 CO 0.68 0.02 0.00 1.88 0.00 0.00 0.00 179.25 181.82 2dbk h TYR 30 N 0.00 0.00 -2.98 0.00 0.05 -2.04 -3.44 116.97 108.56 2dbk h TYR 30 Ca -0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 2dbk h TYR 30 Cb 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 2dbk h TYR 30 CO 0.00 0.00 -0.30 0.34 -1.05 0.00 0.00 178.16 177.15 2dbk s ASP 31 N -5.54 6.42 0.00 3.88 -1.08 0.03 -5.01 116.67 115.36 2dbk s ASP 31 Ca 0.04 0.50 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 2dbk s ASP 31 Cb 0.08 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.49 2dbk s ASP 31 CO 0.56 -0.04 0.00 0.29 0.52 0.00 0.00 175.17 176.49 2dbk n LYS 32 N -0.52 0.00 0.21 4.34 4.01 -1.26 -4.72 118.16 120.22 2dbk n LYS 32 Ca -0.04 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.81 2dbk n LYS 32 Cb 0.53 -0.91 0.46 0.00 -0.51 0.00 0.00 35.03 34.60 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2dbk h THR 33 N 0.00 1.11 -2.32 -0.18 1.35 -1.95 -3.42 112.91 107.49 2dbk h THR 33 Ca 0.00 -0.94 -0.57 0.00 -0.55 0.00 0.00 66.41 64.35 2dbk h THR 33 Cb 0.89 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2dbk h THR 33 CO 0.00 0.26 1.33 0.00 -0.25 0.00 0.00 175.52 176.86 2dbk s ALA 34 N -4.35 3.06 0.09 6.62 0.00 -1.26 0.12 121.76 126.05 2dbk s ALA 34 Ca -0.03 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 2dbk s ALA 34 Cb 0.15 -3.97 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 2dbk s ALA 34 CO 0.70 -2.30 1.09 -1.17 0.00 0.00 0.00 175.76 174.07 2dbk s LEU 35 N 6.57 4.42 -0.11 0.00 0.20 -1.22 -4.84 118.68 123.70 2dbk s LEU 35 Ca 0.89 1.94 -0.13 0.00 0.69 0.00 0.00 54.13 57.52 2dbk s LEU 35 Cb -0.32 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.80 2dbk s LEU 35 CO 0.35 -0.29 0.30 0.00 -0.29 0.00 0.00 176.35 176.42 2dbk s ALA 36 N 0.49 3.67 0.12 5.97 0.00 -1.26 -4.72 121.76 126.03 2dbk s ALA 36 Ca 0.53 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 2dbk s ALA 36 Cb -0.27 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2dbk s ALA 36 CO 0.31 0.29 0.12 -0.51 0.00 0.00 0.00 175.76 175.97 2dbk s LEU 37 N -0.21 1.62 0.03 0.00 1.43 -1.08 -4.99 118.68 115.48 2dbk s LEU 37 Ca 0.18 -1.02 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 2dbk s LEU 37 Cb -0.14 0.61 -0.02 0.00 0.03 0.00 0.00 46.19 46.67 2dbk s LEU 37 CO 0.07 -0.76 -0.09 -1.61 0.23 0.00 0.00 176.35 174.19 2dbk s GLU 38 N -3.99 0.64 -0.48 1.70 2.02 -1.26 -1.41 118.70 115.91 2dbk s GLU 38 Ca 0.18 -0.62 -0.43 0.00 0.02 0.00 0.00 54.97 54.12 2dbk s GLU 38 Cb 0.06 -0.54 -0.19 0.00 0.10 0.00 0.00 34.13 33.57 2dbk s GLU 38 CO -0.02 0.13 1.89 0.28 0.02 0.00 0.00 175.26 177.56 2dbk n VAL 39 N 1.97 0.00 -0.55 2.63 0.31 -1.26 -1.82 118.33 119.61 2dbk n VAL 39 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2dbk n VAL 39 Cb 0.56 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 6.12 0.88 2.97 2.92 0.00 -0.60 -5.02 105.19 112.46 2dbk n GLY 40 Ca 0.45 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.06 2.49 -0.05 1.61 1.01 -0.76 -4.91 116.67 114.00 2dbk s ASP 41 Ca 0.00 -0.42 -0.30 0.00 0.71 0.00 0.00 52.55 52.54 2dbk s ASP 41 Cb 0.00 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 2dbk s ASP 41 CO 0.00 -0.08 1.25 -0.63 0.21 0.00 0.00 175.17 175.92 2dbk s ILE 42 N 1.58 4.14 -0.43 0.77 -1.09 -1.26 -0.87 121.20 124.03 2dbk s ILE 42 Ca 0.05 1.47 -0.08 0.00 -2.23 0.00 0.00 60.65 59.86 2dbk s ILE 42 Cb -0.13 -3.94 0.10 0.00 -1.58 0.00 0.00 42.46 36.91 2dbk s ILE 42 CO -0.10 -0.02 0.27 -0.69 -1.23 0.00 0.00 174.94 173.18 2dbk s VAL 43 N 2.39 4.00 -0.52 2.92 1.01 0.10 -4.84 120.40 125.46 2dbk s VAL 43 Ca 0.58 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 2dbk s VAL 43 Cb -0.26 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2dbk s VAL 43 CO 0.22 -0.63 1.17 -0.75 0.00 0.00 0.00 175.10 175.11 2dbk s LYS 44 N 1.34 3.63 -0.19 2.72 2.20 -1.26 -2.91 119.74 125.27 2dbk s LYS 44 Ca 0.05 0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 56.03 2dbk s LYS 44 Cb -0.24 -3.96 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 2dbk s LYS 44 CO -0.00 -1.52 0.02 0.54 -0.36 0.00 0.00 175.35 174.02 2dbk s VAL 45 N 4.69 4.21 -0.09 4.02 0.11 -1.06 -2.21 120.40 130.07 2dbk s VAL 45 Ca 0.46 -0.23 0.18 0.00 -2.93 0.00 0.00 61.98 59.46 2dbk s VAL 45 Cb -0.07 -2.90 -0.27 0.00 -1.53 0.00 0.00 36.38 31.62 2dbk s VAL 45 CO 0.29 0.44 0.26 0.35 -3.33 0.00 0.00 175.10 173.12 2dbk n THR 46 N 3.94 0.55 -4.20 5.04 -2.24 -1.18 -3.36 114.28 112.83 2dbk n THR 46 Ca -0.17 -0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 60.77 2dbk n THR 46 Cb 0.52 -0.20 -0.17 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.94 1.65 -0.37 -0.78 3.52 -1.25 -5.02 118.95 113.76 2dbk s ARG 47 Ca -0.08 -0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2dbk s ARG 47 Cb 0.09 -1.54 0.10 0.00 -1.56 0.00 0.00 34.95 32.04 2dbk s ARG 47 CO 0.77 -0.14 0.12 -1.64 -0.81 0.00 0.00 175.30 173.61 2dbk s MET 48 N 1.24 1.84 0.17 5.12 -1.94 -1.26 -1.58 119.30 122.90 2dbk s MET 48 Ca -0.03 -1.79 -0.31 0.00 -1.71 0.00 0.00 55.69 51.84 2dbk s MET 48 Cb -0.14 -3.40 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 2dbk s MET 48 CO -0.03 -0.98 1.43 -0.80 -0.01 0.00 0.00 175.02 174.63 2dbk s ASN 49 N 1.42 6.74 0.25 3.03 0.01 -1.24 -4.91 114.94 120.24 2dbk s ASN 49 Ca 0.08 2.49 -0.04 0.00 -0.71 0.00 0.00 52.86 54.68 2dbk s ASN 49 Cb -0.21 -2.60 0.48 0.00 0.41 0.00 0.00 41.25 39.33 2dbk s ASN 49 CO -0.05 -0.68 1.70 0.40 -1.51 0.00 0.00 177.10 176.96 2dbk h ILE 50 N 3.94 0.57 -0.99 0.60 2.04 -1.98 -1.47 117.51 120.23 2dbk h ILE 50 Ca -0.44 -0.12 0.19 0.00 1.00 0.00 0.00 64.86 65.49 2dbk h ILE 50 Cb 1.21 0.19 -0.18 0.00 -0.74 0.00 0.00 36.82 37.30 2dbk h ILE 50 CO 0.84 0.06 -0.28 -1.13 0.00 0.00 0.00 178.15 177.64 2dbk h ASN 51 N 0.35 -1.04 0.00 1.72 -1.24 -2.05 -3.45 115.58 109.86 2dbk h ASN 51 Ca 0.43 0.30 0.00 0.00 0.71 0.00 0.00 56.30 57.74 2dbk h ASN 51 Cb 0.71 0.65 0.00 0.00 0.73 0.00 0.00 38.32 40.40 2dbk h ASN 51 CO -0.47 -0.32 0.00 0.61 -1.29 0.00 0.00 177.43 175.97 2dbk n GLY 52 N -1.59 2.44 3.67 1.57 0.00 -0.55 -5.11 105.19 105.61 2dbk n GLY 52 Ca 0.14 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 4.23 0.47 1.61 1.11 -1.26 -4.65 119.66 121.17 2dbk s GLN 53 Ca 0.00 1.87 0.08 0.00 0.01 0.00 0.00 55.36 57.33 2dbk s GLN 53 Cb 0.00 -3.79 0.03 0.00 -1.01 0.00 0.00 33.01 28.24 2dbk s GLN 53 CO 0.00 -0.71 0.59 -1.58 0.01 0.00 0.00 175.29 173.60 2dbk s TRP 54 N 3.39 2.31 -0.22 0.91 0.51 -1.25 -3.69 118.94 120.91 2dbk s TRP 54 Ca 0.62 -0.54 0.00 0.00 -2.12 0.00 0.00 56.10 54.06 2dbk s TRP 54 Cb -0.27 -2.26 0.03 0.00 -0.81 0.00 0.00 33.47 30.15 2dbk s TRP 54 CO 0.22 -0.58 -0.13 -2.00 -0.51 0.00 0.00 176.95 173.94 2dbk s GLU 55 N -4.40 2.85 0.08 4.98 2.12 -0.61 -3.60 118.70 120.12 2dbk s GLU 55 Ca 0.54 -0.94 0.02 0.00 0.36 0.00 0.00 54.97 54.95 2dbk s GLU 55 Cb -0.07 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2dbk s GLU 55 CO 0.33 -0.32 -0.07 0.20 -0.54 0.00 0.00 175.26 174.86 2dbk s GLY 56 N 1.29 0.66 -0.18 -1.50 0.00 -1.24 -3.13 107.32 103.21 2dbk s GLY 56 Ca 0.01 -1.16 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 2dbk s GLY 56 CO -0.08 -1.25 -0.07 1.85 0.00 0.00 0.00 173.10 173.55 2dbk s GLU 57 N -3.14 3.42 -0.03 2.90 2.12 -0.94 -3.08 118.70 119.95 2dbk s GLU 57 Ca 0.05 -0.63 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 2dbk s GLU 57 Cb 0.01 -2.88 0.03 0.00 0.26 0.00 0.00 34.13 31.55 2dbk s GLU 57 CO -0.04 -0.01 0.03 0.08 -0.54 0.00 0.00 175.26 174.78 2dbk s VAL 58 N 0.98 -0.02 -1.51 3.70 1.01 0.60 -3.98 120.40 121.19 2dbk s VAL 58 Ca -0.00 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2dbk s VAL 58 Cb -0.15 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.16 2dbk s VAL 58 CO -0.00 0.13 0.87 0.59 0.00 0.00 0.00 175.10 176.69 2dbk n ASN 59 N 4.56 -3.66 -2.39 3.32 3.02 -1.26 -1.02 115.26 117.83 2dbk n ASN 59 Ca -0.19 -0.83 -0.16 0.00 -0.03 0.00 0.00 54.58 53.36 2dbk n ASN 59 Cb 0.50 -3.70 0.04 0.00 -0.61 0.00 0.00 39.78 36.00 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 -1.66 -0.16 2.87 7.41 0.00 -1.26 -5.01 105.19 107.37 2dbk n GLY 60 Ca -0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2dbk n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dbk s ARG 61 N -5.55 0.05 -0.21 1.61 0.52 -0.19 -5.14 118.95 110.05 2dbk s ARG 61 Ca 0.28 0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 55.87 2dbk s ARG 61 Cb -0.12 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.12 2dbk s ARG 61 CO 0.35 -0.21 -0.10 0.15 0.02 0.00 0.00 175.30 175.51 2dbk s LYS 62 N 1.49 3.22 0.25 3.54 1.02 -1.26 -0.29 119.74 127.71 2dbk s LYS 62 Ca -0.05 -0.71 -0.15 0.00 0.02 0.00 0.00 55.97 55.08 2dbk s LYS 62 Cb -0.12 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2dbk s LYS 62 CO -0.05 -0.21 0.54 0.20 -0.92 0.00 0.00 175.35 174.91 2dbk s GLY 63 N 1.41 0.38 -0.21 -3.33 0.00 -1.18 -4.86 107.32 99.53 2dbk s GLY 63 Ca 0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 2dbk s GLY 63 CO -0.07 -0.49 0.82 1.08 0.00 0.00 0.00 173.10 174.43 2dbk s LEU 64 N -2.99 4.12 0.03 0.66 1.43 0.12 -3.71 118.68 118.35 2dbk s LEU 64 Ca 0.19 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.45 2dbk s LEU 64 Cb -0.02 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 2dbk s LEU 64 CO 0.08 -0.45 -0.21 0.72 0.23 0.00 0.00 176.35 176.73 2dbk s PHE 65 N 2.48 1.84 0.70 0.29 -0.71 -1.24 -3.41 117.98 117.93 2dbk s PHE 65 Ca 0.36 -0.37 -0.13 0.00 -1.04 0.00 0.00 56.93 55.74 2dbk s PHE 65 Cb -0.16 -1.11 0.02 0.00 -1.21 0.00 0.00 43.02 40.56 2dbk s PHE 65 CO 0.10 0.07 1.10 -1.25 -1.34 0.00 0.00 175.22 173.90 2dbk s PRO 66 N -1.07 2.59 0.11 1.99 0.04 -1.26 -3.77 135.00 133.64 2dbk s PRO 66 Ca 0.08 1.30 0.24 0.00 0.04 0.00 0.00 61.00 62.66 2dbk s PRO 66 Cb -0.09 -1.93 0.31 0.00 0.04 0.00 0.00 34.50 32.83 2dbk s PRO 66 CO 0.01 -1.40 1.29 1.97 0.04 0.00 0.00 177.00 178.91 2dbk n PHE 67 N -2.86 0.53 0.98 0.56 1.16 -1.26 -3.67 117.46 112.91 2dbk n PHE 67 Ca 0.10 0.16 0.14 0.00 -1.87 0.00 0.00 57.45 55.97 2dbk n PHE 67 Cb 0.52 -0.64 0.58 0.00 -1.61 0.00 0.00 39.48 38.33 2dbk n PHE 67 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2dbk n THR 68 N -2.10 0.03 -0.05 1.97 -2.24 -1.26 -3.54 114.28 107.09 2dbk n THR 68 Ca 0.03 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 2dbk n THR 68 Cb 0.44 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2dbk n THR 68 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2dbk n HIS 69 N -1.54 0.73 -3.29 4.78 8.25 -1.24 -4.97 115.22 117.94 2dbk n HIS 69 Ca 0.07 0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.53 2dbk n HIS 69 Cb 0.34 -1.11 -0.01 0.00 1.12 0.00 0.00 29.99 30.34 2dbk n HIS 69 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2dbk s VAL 70 N -2.55 3.03 -0.05 1.59 -7.23 -1.23 -3.12 120.40 110.84 2dbk s VAL 70 Ca -0.20 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 2dbk s VAL 70 Cb 0.07 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.98 2dbk s VAL 70 CO 0.75 -0.03 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.73 2dbk s LYS 71 N -4.24 0.74 -0.30 4.82 2.20 -1.07 -4.87 119.74 117.02 2dbk s LYS 71 Ca 0.51 -0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.77 2dbk s LYS 71 Cb -0.07 -0.81 -0.01 0.00 -1.51 0.00 0.00 37.83 35.42 2dbk s LYS 71 CO 0.31 -0.11 1.59 0.42 -0.36 0.00 0.00 175.35 177.19 2dbk s ILE 72 N 1.06 3.73 -0.03 5.43 -1.09 -1.26 -3.35 121.20 125.69 2dbk s ILE 72 Ca -0.09 0.78 0.08 0.00 -2.23 0.00 0.00 60.65 59.19 2dbk s ILE 72 Cb -0.14 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 2dbk s ILE 72 CO -0.01 -0.46 -0.26 0.72 -1.23 0.00 0.00 174.94 173.71 2dbk s PHE 73 N 5.64 2.35 0.27 3.97 -0.12 -1.23 -5.05 117.98 123.82 2dbk s PHE 73 Ca 0.70 -0.47 -0.29 0.00 -0.05 0.00 0.00 56.93 56.82 2dbk s PHE 73 Cb -0.21 -1.52 -0.09 0.00 -0.63 0.00 0.00 43.02 40.57 2dbk s PHE 73 CO 0.31 -0.06 0.97 -0.51 -0.05 0.00 0.00 175.22 175.87 2dbk s ASP 74 N -0.55 7.48 0.00 1.98 1.11 -1.26 -4.70 116.67 120.72 2dbk s ASP 74 Ca 0.08 1.97 0.14 0.00 0.18 0.00 0.00 52.55 54.93 2dbk s ASP 74 Cb -0.11 -2.60 0.63 0.00 1.07 0.00 0.00 42.92 41.91 2dbk s ASP 74 CO -0.00 0.03 1.45 -0.81 1.18 0.00 0.00 175.17 177.02 2dbk n PRO 75 N 1.14 0.03 -1.77 8.23 -0.04 -1.26 -3.63 135.00 137.70 2dbk n PRO 75 Ca -0.01 0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 63.36 2dbk n PRO 75 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.46 3.24 -1.75 0.54 6.02 -1.26 -4.98 117.38 117.73 2dbk n GLN 76 Ca 0.04 -2.98 -0.42 0.00 -0.01 0.00 0.00 57.00 53.63 2dbk n GLN 76 Cb 0.16 -2.31 -0.03 0.00 1.02 0.00 0.00 30.24 29.08 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 0.01 6.45 0.08 1.08 0.01 -1.24 -4.86 114.94 116.48 2dbk s ASN 77 Ca 0.55 2.71 0.17 0.00 -0.71 0.00 0.00 52.86 55.58 2dbk s ASN 77 Cb 0.33 -2.56 0.72 0.00 0.41 0.00 0.00 41.25 40.15 2dbk s ASN 77 CO -0.21 -0.99 1.53 -0.81 -1.51 0.00 0.00 177.10 175.11 2dbk n PRO 78 N 5.85 0.06 -1.51 -0.60 -0.04 -1.26 -4.85 135.00 132.65 2dbk n PRO 78 Ca 0.18 0.31 -0.51 0.00 -0.04 0.00 0.00 63.50 63.44 2dbk n PRO 78 Cb 0.39 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2dbk n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dbk n ASP 79 N -1.73 0.22 -0.07 3.54 5.68 -1.26 -4.88 116.55 118.05 2dbk n ASP 79 Ca 0.03 1.15 -0.13 0.00 -0.50 0.00 0.00 54.79 55.33 2dbk n ASP 79 Cb 0.18 -1.07 -0.06 0.00 -1.14 0.00 0.00 41.12 39.04 2dbk n ASP 79 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2dbk h GLU 80 N 2.42 0.50 -5.76 0.11 3.07 -2.04 -3.42 114.58 109.45 2dbk h GLU 80 Ca -0.40 -0.26 -0.59 0.00 -0.50 0.00 0.00 59.36 57.61 2dbk h GLU 80 Cb 1.39 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.29 2dbk h GLU 80 CO 0.64 0.83 1.52 0.27 -1.40 0.00 0.00 179.01 180.88 2dbk n ASN 81 N -4.44 1.96 -4.72 1.42 6.94 -1.26 -4.93 115.26 110.22 2dbk n ASN 81 Ca -0.05 0.16 -0.30 0.00 -0.02 0.00 0.00 54.58 54.37 2dbk n ASN 81 Cb 0.40 -1.30 -0.07 0.00 -2.36 0.00 0.00 39.78 36.45 2dbk n ASN 81 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2dbk s GLU 82 N 7.10 2.66 -0.08 -3.83 2.02 -1.26 -5.06 118.70 120.26 2dbk s GLU 82 Ca 1.11 -0.81 -0.11 0.00 0.02 0.00 0.00 54.97 55.17 2dbk s GLU 82 Cb -0.74 -2.59 -0.08 0.00 0.10 0.00 0.00 34.13 30.82 2dbk s GLU 82 CO 0.43 0.54 0.42 1.03 0.02 0.00 0.00 175.26 177.70 2dbk h SER 83 N 3.27 -0.17 -1.71 -0.19 0.87 -1.99 -3.47 113.55 110.16 2dbk h SER 83 Ca -0.47 -0.16 -0.48 0.00 -1.23 0.00 0.00 61.79 59.45 2dbk h SER 83 Cb 1.17 0.04 0.07 0.00 -0.44 0.00 0.00 62.40 63.24 2dbk h SER 83 CO 0.62 0.37 0.05 -0.83 -0.53 0.00 0.00 176.83 176.51 2dbk s GLY 84 N -3.38 1.75 0.66 5.77 0.00 -1.26 -5.08 107.32 105.77 2dbk s GLY 84 Ca -0.07 -1.88 -0.15 0.00 0.00 0.00 0.00 44.72 42.62 2dbk s GLY 84 CO 0.23 -1.33 1.11 2.56 0.00 0.00 0.00 173.10 175.67 2dbk s PRO 85 N -5.02 2.78 -0.00 2.90 0.04 -1.26 -5.07 135.00 129.37 2dbk s PRO 85 Ca 0.65 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2dbk s PRO 85 Cb -0.05 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 2dbk s PRO 85 CO 0.43 -1.26 -0.01 0.45 0.04 0.00 0.00 177.00 176.65 2dbk s SER 86 N -2.61 0.10 0.21 6.66 0.15 -1.26 -5.14 113.70 111.81 2dbk s SER 86 Ca 0.67 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 57.00 2dbk s SER 86 Cb -0.20 -0.01 -0.08 0.00 -1.71 0.00 0.00 66.02 64.01 2dbk s SER 86 CO 0.42 0.01 0.96 -0.94 1.20 0.00 0.00 173.24 174.89 2dbk s SER 87 N -0.01 7.57 0.00 5.45 1.04 -1.26 -5.26 113.70 121.24 2dbk s SER 87 Ca 0.00 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.38 2dbk s SER 87 Cb -0.01 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2dbk s SER 87 CO -0.00 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.90