#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 -0.09 0.05 1.61 1.04 -1.26 -5.18 113.70 109.87 2dbk s SER 2 Ca 0.00 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.85 2dbk s SER 2 Cb 0.00 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 2dbk s SER 2 CO 0.00 -0.91 -0.11 -0.55 0.98 0.00 0.00 173.24 172.64 2dbk s SER 3 N -2.89 1.31 0.00 7.02 0.15 -1.26 -5.16 113.70 112.86 2dbk s SER 3 Ca 0.10 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dbk s SER 3 Cb 0.02 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2dbk s SER 3 CO -0.05 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dbk n GLY 4 N 1.68 2.19 3.76 9.45 0.00 -1.26 -5.15 105.19 115.85 2dbk n GLY 4 Ca -0.20 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.20 0.14 1.61 0.15 -1.26 -5.19 113.70 107.96 2dbk s SER 5 Ca 0.00 -0.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.67 2dbk s SER 5 Cb 0.00 0.68 0.07 0.00 -1.71 0.00 0.00 66.02 65.05 2dbk s SER 5 CO 0.00 -1.27 0.77 -0.55 1.20 0.00 0.00 173.24 173.39 2dbk s SER 6 N -2.96 -0.38 0.02 5.45 0.15 -1.26 -5.18 113.70 109.54 2dbk s SER 6 Ca 0.15 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.62 2dbk s SER 6 Cb -0.04 0.55 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2dbk s SER 6 CO 0.08 -0.94 -0.05 -0.83 1.20 0.00 0.00 173.24 172.70 2dbk s GLY 7 N -2.75 0.31 0.36 9.45 0.00 -1.26 -5.16 107.32 108.27 2dbk s GLY 7 Ca 0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 2dbk s GLY 7 CO -0.05 -0.50 0.32 -1.55 0.00 0.00 0.00 173.10 171.32 2dbk n PRO 8 N 2.12 -1.65 -3.93 2.90 -0.04 -1.26 -5.09 135.00 128.05 2dbk n PRO 8 Ca -0.19 -0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 62.66 2dbk n PRO 8 Cb 0.56 -0.48 -0.12 0.00 -0.04 0.00 0.00 33.50 33.42 2dbk n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dbk s LEU 9 N 0.00 2.11 0.52 1.53 1.02 -1.26 -5.15 118.68 117.45 2dbk s LEU 9 Ca 0.21 -0.26 -0.20 0.00 0.02 0.00 0.00 54.13 53.89 2dbk s LEU 9 Cb -0.02 0.08 -0.06 0.00 0.02 0.00 0.00 46.19 46.20 2dbk s LEU 9 CO 0.16 -0.17 1.14 -2.16 0.02 0.00 0.00 176.35 175.34 2dbk s PRO 10 N -0.80 3.47 -0.05 1.29 0.04 -1.26 -5.06 135.00 132.63 2dbk s PRO 10 Ca -0.09 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 2dbk s PRO 10 Cb -0.05 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.40 2dbk s PRO 10 CO -0.00 -0.76 0.37 -1.54 0.04 0.00 0.00 177.00 175.10 2dbk s SER 11 N -1.66 -0.29 0.85 6.66 1.04 -1.26 -5.15 113.70 113.90 2dbk s SER 11 Ca 0.70 0.30 -0.15 0.00 0.48 0.00 0.00 55.95 57.28 2dbk s SER 11 Cb -0.25 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2dbk s SER 11 CO 0.29 -0.40 0.21 0.41 0.98 0.00 0.00 173.24 174.73 2dbk n THR 12 N 1.56 0.64 -0.23 2.02 -1.04 -1.26 -4.80 114.28 111.17 2dbk n THR 12 Ca -0.20 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.05 61.42 2dbk n THR 12 Cb 0.56 -0.52 0.02 0.00 -1.82 0.00 0.00 70.33 68.57 2dbk n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dbk n GLN 13 N -0.45 1.28 -4.57 -2.82 0.00 -1.26 -4.85 117.38 104.71 2dbk n GLN 13 Ca 0.06 -0.59 -0.34 0.00 0.00 0.00 0.00 57.00 56.13 2dbk n GLN 13 Cb 0.52 -1.23 -0.11 0.00 0.00 0.00 0.00 30.24 29.42 2dbk n GLN 13 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2dbk s ASN 14 N 1.04 4.69 0.00 2.61 3.84 -1.26 -5.03 114.94 120.84 2dbk s ASN 14 Ca 0.12 -0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.14 2dbk s ASN 14 Cb 0.09 -1.33 0.00 0.00 -0.55 0.00 0.00 41.25 39.46 2dbk s ASN 14 CO 0.01 0.32 0.00 0.61 -2.79 0.00 0.00 177.10 175.24 2dbk n GLY 15 N 2.52 0.74 3.76 1.21 0.00 -1.26 -5.08 105.19 107.08 2dbk n GLY 15 Ca -0.18 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.10 4.46 0.09 1.61 0.04 -1.26 -5.01 135.00 133.83 2dbk s PRO 16 Ca 0.00 2.06 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 2dbk s PRO 16 Cb 0.00 -3.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 2dbk s PRO 16 CO 0.00 -0.06 0.85 0.08 0.04 0.00 0.00 177.00 177.91 2dbk s VAL 17 N -0.99 4.58 -0.13 -0.36 1.01 -1.24 -4.91 120.40 118.35 2dbk s VAL 17 Ca 0.48 1.83 -0.07 0.00 0.00 0.00 0.00 61.98 64.22 2dbk s VAL 17 Cb -0.37 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2dbk s VAL 17 CO 0.47 0.36 0.12 -0.36 0.00 0.00 0.00 175.10 175.70 2dbk s PHE 18 N -0.17 3.52 -0.06 5.22 0.08 -1.26 -3.53 117.98 121.78 2dbk s PHE 18 Ca 0.42 0.45 -0.01 0.00 0.12 0.00 0.00 56.93 57.90 2dbk s PHE 18 Cb -0.22 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2dbk s PHE 18 CO 0.26 0.63 0.03 0.00 -0.10 0.00 0.00 175.22 176.04 2dbk s ALA 19 N -0.76 0.48 -0.08 5.36 0.00 -1.20 -3.17 121.76 122.40 2dbk s ALA 19 Ca 0.13 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.83 2dbk s ALA 19 Cb -0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2dbk s ALA 19 CO 0.03 -0.45 0.97 0.21 0.00 0.00 0.00 175.76 176.52 2dbk s LYS 20 N 1.99 4.45 -0.45 0.00 2.20 -0.90 -1.09 119.74 125.95 2dbk s LYS 20 Ca 0.04 1.34 -0.28 0.00 -0.36 0.00 0.00 55.97 56.71 2dbk s LYS 20 Cb -0.12 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2dbk s LYS 20 CO -0.04 -0.22 1.80 0.00 -0.36 0.00 0.00 175.35 176.53 2dbk s ALA 21 N 1.66 2.59 -0.17 3.13 0.00 0.76 -2.04 121.76 127.68 2dbk s ALA 21 Ca 0.48 -0.13 0.18 0.00 0.00 0.00 0.00 51.96 52.49 2dbk s ALA 21 Cb -0.19 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.76 2dbk s ALA 21 CO 0.20 -3.14 1.03 -0.84 0.00 0.00 0.00 175.76 173.02 2dbk h ILE 22 N 6.83 0.40 -4.03 0.00 3.07 -1.87 0.99 117.51 122.91 2dbk h ILE 22 Ca -0.30 -1.72 -0.62 0.00 1.55 0.00 0.00 64.86 63.78 2dbk h ILE 22 Cb 1.16 1.96 -0.23 0.00 -0.27 0.00 0.00 36.82 39.44 2dbk h ILE 22 CO 1.11 0.23 -0.85 -1.10 -1.05 0.00 0.00 178.15 176.49 2dbk s GLN 23 N -3.06 1.35 0.10 0.16 -1.52 -1.22 -4.83 119.66 110.63 2dbk s GLN 23 Ca -0.01 -1.15 -0.31 0.00 -1.95 0.00 0.00 55.36 51.94 2dbk s GLN 23 Cb 0.08 -1.63 -0.07 0.00 -0.22 0.00 0.00 33.01 31.17 2dbk s GLN 23 CO 0.79 0.40 1.38 0.21 -0.25 0.00 0.00 175.29 177.81 2dbk s LYS 24 N -1.69 4.32 -0.17 2.91 2.20 -1.26 -4.45 119.74 121.60 2dbk s LYS 24 Ca 0.09 2.04 0.01 0.00 -0.36 0.00 0.00 55.97 57.75 2dbk s LYS 24 Cb -0.10 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 2dbk s LYS 24 CO 0.04 -0.44 -0.15 0.50 -0.36 0.00 0.00 175.35 174.94 2dbk s ARG 25 N 1.25 2.47 -0.08 4.03 6.06 -0.95 -5.00 118.95 126.73 2dbk s ARG 25 Ca 0.64 -0.69 0.02 0.00 -2.50 0.00 0.00 55.73 53.20 2dbk s ARG 25 Cb -0.36 -2.29 0.01 0.00 0.06 0.00 0.00 34.95 32.38 2dbk s ARG 25 CO 0.30 -0.26 -0.13 0.14 -2.50 0.00 0.00 175.30 172.85 2dbk s VAL 26 N 1.41 1.27 0.80 7.11 -7.23 -1.26 -0.06 120.40 122.44 2dbk s VAL 26 Ca 0.04 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 2dbk s VAL 26 Cb -0.13 -1.17 0.07 0.00 0.56 0.00 0.00 36.38 35.71 2dbk s VAL 26 CO -0.11 0.39 1.09 -2.16 -0.31 0.00 0.00 175.10 174.00 2dbk s PRO 27 N 0.85 2.05 0.44 4.82 0.04 -1.26 -5.02 135.00 136.92 2dbk s PRO 27 Ca -0.11 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.04 2dbk s PRO 27 Cb -0.15 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.50 2dbk s PRO 27 CO 0.01 -1.77 0.65 0.00 0.04 0.00 0.00 177.00 175.93 2dbk h ALA 29 N 0.45 0.18 -0.07 0.00 0.00 -2.03 -2.41 119.26 115.37 2dbk h ALA 29 Ca -0.46 0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 2dbk h ALA 29 Cb 1.25 0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.33 2dbk h ALA 29 CO 0.57 -0.48 -0.86 0.10 0.00 0.00 0.00 179.25 178.58 2dbk h TYR 30 N -0.03 0.83 -2.83 0.00 -0.00 -2.05 -3.42 116.97 109.46 2dbk h TYR 30 Ca 0.16 -0.40 -0.57 0.00 0.00 0.00 0.00 58.73 57.91 2dbk h TYR 30 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 36.73 36.85 2dbk h TYR 30 CO -0.32 1.21 1.21 -0.51 -0.00 0.00 0.00 178.16 179.76 2dbk s ASP 31 N -7.10 6.04 -0.15 0.10 1.01 -0.91 -4.81 116.67 110.85 2dbk s ASP 31 Ca -0.08 1.21 0.15 0.00 0.71 0.00 0.00 52.55 54.54 2dbk s ASP 31 Cb 0.09 -2.53 -0.21 0.00 1.01 0.00 0.00 42.92 41.28 2dbk s ASP 31 CO 0.88 -1.60 0.09 1.17 0.21 0.00 0.00 175.17 175.92 2dbk n LYS 32 N 8.29 1.22 0.19 8.23 0.00 -1.26 -3.85 118.16 130.98 2dbk n LYS 32 Ca 0.21 -0.03 0.07 0.00 0.00 0.00 0.00 58.31 58.57 2dbk n LYS 32 Cb 0.47 -1.42 0.28 0.00 0.00 0.00 0.00 35.03 34.35 2dbk n LYS 32 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2dbk h THR 33 N 0.00 0.64 -2.50 3.15 1.35 -1.96 -3.44 112.91 110.15 2dbk h THR 33 Ca -0.40 -1.52 -0.53 0.00 -0.55 0.00 0.00 66.41 63.41 2dbk h THR 33 Cb 1.88 2.02 0.02 0.00 -1.73 0.00 0.00 68.15 70.34 2dbk h THR 33 CO 0.02 0.31 1.14 0.00 -0.25 0.00 0.00 175.52 176.74 2dbk s ALA 34 N -3.38 3.66 0.12 6.62 0.00 -1.26 -1.64 121.76 125.88 2dbk s ALA 34 Ca 0.02 1.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 2dbk s ALA 34 Cb 0.09 -3.78 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2dbk s ALA 34 CO 0.68 -1.37 0.93 -1.17 0.00 0.00 0.00 175.76 174.83 2dbk s LEU 35 N 3.60 4.51 -0.15 0.00 0.20 -1.15 -4.61 118.68 121.08 2dbk s LEU 35 Ca 0.82 1.76 -0.14 0.00 0.69 0.00 0.00 54.13 57.26 2dbk s LEU 35 Cb -0.42 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.76 2dbk s LEU 35 CO 0.37 -0.02 0.30 0.00 -0.29 0.00 0.00 176.35 176.71 2dbk s ALA 36 N -0.19 3.59 0.17 5.97 0.00 -1.26 -4.55 121.76 125.49 2dbk s ALA 36 Ca 0.45 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2dbk s ALA 36 Cb -0.23 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2dbk s ALA 36 CO 0.29 0.10 0.05 -0.51 0.00 0.00 0.00 175.76 175.69 2dbk s LEU 37 N 0.43 1.81 0.02 0.00 1.43 0.91 -4.95 118.68 118.33 2dbk s LEU 37 Ca 0.17 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2dbk s LEU 37 Cb -0.13 0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.23 2dbk s LEU 37 CO 0.04 -0.69 -0.11 -1.83 0.23 0.00 0.00 176.35 173.99 2dbk s GLU 38 N -4.01 0.81 -0.49 1.70 1.03 -1.26 -2.23 118.70 114.24 2dbk s GLU 38 Ca 0.27 -0.59 -0.46 0.00 0.03 0.00 0.00 54.97 54.22 2dbk s GLU 38 Cb 0.07 -0.78 -0.19 0.00 -0.80 0.00 0.00 34.13 32.43 2dbk s GLU 38 CO 0.05 0.20 1.75 0.28 -1.33 0.00 0.00 175.26 176.21 2dbk n VAL 39 N 2.22 0.01 -0.71 1.83 0.31 -1.26 -2.21 118.33 118.52 2dbk n VAL 39 Ca -0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2dbk n VAL 39 Cb 0.55 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 4.96 0.81 2.90 2.92 0.00 0.34 -5.04 105.19 112.08 2dbk n GLY 40 Ca 0.37 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 1.57 -0.17 1.61 1.11 -0.94 -4.92 116.67 112.88 2dbk s ASP 41 Ca 0.00 -0.20 -0.27 0.00 0.18 0.00 0.00 52.55 52.26 2dbk s ASP 41 Cb 0.00 -0.62 -0.01 0.00 1.07 0.00 0.00 42.92 43.36 2dbk s ASP 41 CO 0.00 -0.08 0.94 -0.63 1.18 0.00 0.00 175.17 176.57 2dbk s ILE 42 N 1.30 4.80 -0.40 0.77 -1.09 -1.26 -0.17 121.20 125.14 2dbk s ILE 42 Ca -0.04 1.85 -0.17 0.00 -2.23 0.00 0.00 60.65 60.06 2dbk s ILE 42 Cb -0.14 -4.23 0.01 0.00 -1.58 0.00 0.00 42.46 36.53 2dbk s ILE 42 CO -0.03 -0.04 0.41 -0.69 -1.23 0.00 0.00 174.94 173.37 2dbk s VAL 43 N 2.43 5.11 -0.49 2.92 1.01 -0.25 -4.78 120.40 126.35 2dbk s VAL 43 Ca 0.42 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 2dbk s VAL 43 Cb -0.17 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2dbk s VAL 43 CO 0.12 -0.35 0.82 -0.75 0.00 0.00 0.00 175.10 174.94 2dbk s LYS 44 N 2.08 3.35 -0.13 2.72 2.20 -1.21 -3.22 119.74 125.54 2dbk s LYS 44 Ca 0.12 -0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.41 2dbk s LYS 44 Cb -0.17 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2dbk s LYS 44 CO 0.13 -1.26 0.09 0.54 -0.36 0.00 0.00 175.35 174.49 2dbk s VAL 45 N 3.45 5.05 -0.03 4.02 0.11 -1.23 -1.87 120.40 129.90 2dbk s VAL 45 Ca 0.28 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 2dbk s VAL 45 Cb -0.13 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 2dbk s VAL 45 CO 0.20 0.57 0.03 0.35 -3.33 0.00 0.00 175.10 172.92 2dbk n THR 46 N 2.46 0.18 -4.04 5.04 -2.24 -1.17 -3.70 114.28 110.81 2dbk n THR 46 Ca -0.19 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 2dbk n THR 46 Cb 0.54 -0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.12 1.93 -0.30 -0.78 3.52 -1.24 -4.94 118.95 115.02 2dbk s ARG 47 Ca -0.02 -1.51 -0.11 0.00 -0.13 0.00 0.00 55.73 53.96 2dbk s ARG 47 Cb 0.01 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2dbk s ARG 47 CO 0.14 -0.70 0.20 -1.64 -0.81 0.00 0.00 175.30 172.49 2dbk s MET 48 N 1.05 3.77 0.36 5.12 -1.94 -1.26 -1.93 119.30 124.48 2dbk s MET 48 Ca -0.02 -0.44 -0.08 0.00 -1.71 0.00 0.00 55.69 53.44 2dbk s MET 48 Cb -0.20 -3.69 -0.06 0.00 2.01 0.00 0.00 34.83 32.89 2dbk s MET 48 CO -0.06 -0.27 0.68 -0.80 -0.01 0.00 0.00 175.02 174.56 2dbk s ASN 49 N 1.74 6.50 0.05 3.03 0.01 -1.25 -5.01 114.94 120.01 2dbk s ASN 49 Ca 0.07 0.97 -0.23 0.00 -0.71 0.00 0.00 52.86 52.96 2dbk s ASN 49 Cb -0.16 -2.25 -0.14 0.00 0.41 0.00 0.00 41.25 39.10 2dbk s ASN 49 CO 0.10 -0.31 1.53 0.40 -1.51 0.00 0.00 177.10 177.31 2dbk h ILE 50 N 1.22 1.20 -0.96 0.60 1.08 -1.98 -3.09 117.51 115.58 2dbk h ILE 50 Ca -0.47 -0.62 0.24 0.00 -0.39 0.00 0.00 64.86 63.62 2dbk h ILE 50 Cb 1.19 1.47 -0.18 0.00 -3.07 0.00 0.00 36.82 36.22 2dbk h ILE 50 CO 0.65 0.17 -0.07 -0.46 -0.69 0.00 0.00 178.15 177.75 2dbk n ASN 51 N -4.89 -0.19 0.00 1.72 0.23 -1.26 -4.81 115.26 106.05 2dbk n ASN 51 Ca -0.06 1.65 0.00 0.00 -0.53 0.00 0.00 54.58 55.63 2dbk n ASN 51 Cb 0.15 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 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 -1.53 3.99 3.69 4.83 0.00 -1.17 -5.11 105.19 109.89 2dbk n GLY 52 Ca 0.20 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 4.33 0.48 1.61 1.11 -1.26 -4.77 119.66 121.16 2dbk s GLN 53 Ca 0.00 1.83 0.07 0.00 0.01 0.00 0.00 55.36 57.27 2dbk s GLN 53 Cb 0.00 -3.53 0.02 0.00 -1.01 0.00 0.00 33.01 28.49 2dbk s GLN 53 CO 0.00 -0.48 0.45 -1.58 0.01 0.00 0.00 175.29 173.69 2dbk s TRP 54 N 2.12 2.15 -0.27 0.91 0.51 -1.26 -3.76 118.94 119.34 2dbk s TRP 54 Ca 0.60 -0.65 0.02 0.00 -2.12 0.00 0.00 56.10 53.96 2dbk s TRP 54 Cb -0.29 -2.09 0.07 0.00 -0.81 0.00 0.00 33.47 30.35 2dbk s TRP 54 CO 0.25 -0.40 -0.06 -2.00 -0.51 0.00 0.00 176.95 174.23 2dbk s GLU 55 N -4.26 1.91 0.04 4.98 2.12 -0.81 -3.87 118.70 118.81 2dbk s GLU 55 Ca 0.45 -1.34 0.02 0.00 0.36 0.00 0.00 54.97 54.46 2dbk s GLU 55 Cb -0.03 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 2dbk s GLU 55 CO 0.27 -0.65 -0.07 0.20 -0.54 0.00 0.00 175.26 174.47 2dbk s GLY 56 N 1.16 0.49 -0.13 -1.50 0.00 -1.22 -3.02 107.32 103.09 2dbk s GLY 56 Ca -0.04 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.79 2dbk s GLY 56 CO -0.06 -0.85 0.20 1.85 0.00 0.00 0.00 173.10 174.23 2dbk s GLU 57 N -1.75 3.80 -0.29 2.90 2.12 -0.78 -2.52 118.70 122.17 2dbk s GLU 57 Ca -0.09 -0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 2dbk s GLU 57 Cb -0.09 -3.28 0.09 0.00 0.26 0.00 0.00 34.13 31.11 2dbk s GLU 57 CO -0.00 0.58 0.08 0.08 -0.54 0.00 0.00 175.26 175.46 2dbk s VAL 58 N -0.50 0.84 -0.92 3.70 1.01 -1.08 -3.30 120.40 120.14 2dbk s VAL 58 Ca 0.15 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.76 2dbk s VAL 58 Cb -0.13 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.79 2dbk s VAL 58 CO 0.04 -0.59 0.26 -0.46 0.00 0.00 0.00 175.10 174.36 2dbk n ASN 59 N 4.88 -0.75 0.00 3.32 6.94 -1.26 -4.09 115.26 124.30 2dbk n ASN 59 Ca -0.04 -0.62 0.00 0.00 -0.02 0.00 0.00 54.58 53.90 2dbk n ASN 59 Cb 0.43 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 2dbk n ASN 59 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dbk n GLY 60 N -0.90 -1.74 3.26 4.83 0.00 -1.26 -5.18 105.19 104.20 2dbk n GLY 60 Ca 0.03 0.71 -0.21 0.00 0.00 0.00 0.00 46.02 46.56 2dbk n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dbk n ARG 61 N 0.00 0.44 -3.68 1.61 1.74 -1.26 -5.09 116.66 110.43 2dbk n ARG 61 Ca 0.00 -3.38 -0.37 0.00 -0.77 0.00 0.00 57.85 53.33 2dbk n ARG 61 Cb 0.00 2.63 -0.10 0.00 -1.02 0.00 0.00 32.46 33.97 2dbk n ARG 61 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dbk s LYS 62 N -3.40 4.02 0.21 5.56 1.02 -1.26 -2.65 119.74 123.25 2dbk s LYS 62 Ca 0.37 -0.29 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 2dbk s LYS 62 Cb 0.02 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2dbk s LYS 62 CO 0.26 0.02 0.30 0.20 -0.92 0.00 0.00 175.35 175.22 2dbk s GLY 63 N 1.16 0.86 -0.16 -3.33 0.00 -1.05 -4.88 107.32 99.92 2dbk s GLY 63 Ca 0.07 -1.19 -0.26 0.00 0.00 0.00 0.00 44.72 43.35 2dbk s GLY 63 CO 0.05 -0.97 0.84 1.08 0.00 0.00 0.00 173.10 174.11 2dbk s LEU 64 N -3.06 4.19 0.02 0.66 1.43 -0.65 -3.42 118.68 117.85 2dbk s LEU 64 Ca 0.27 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 2dbk s LEU 64 Cb 0.03 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2dbk s LEU 64 CO 0.08 -0.39 -0.19 0.72 0.23 0.00 0.00 176.35 176.80 2dbk s PHE 65 N 2.08 1.68 -0.02 0.29 -0.71 -1.25 -2.94 117.98 117.11 2dbk s PHE 65 Ca 0.39 -0.35 -0.30 0.00 -1.04 0.00 0.00 56.93 55.63 2dbk s PHE 65 Cb -0.17 -1.03 -0.05 0.00 -1.21 0.00 0.00 43.02 40.56 2dbk s PHE 65 CO 0.13 0.04 1.46 -1.25 -1.34 0.00 0.00 175.22 174.26 2dbk s PRO 66 N -0.90 4.25 0.62 1.99 0.04 -1.26 -4.35 135.00 135.38 2dbk s PRO 66 Ca 0.07 2.02 0.41 0.00 0.04 0.00 0.00 61.00 63.53 2dbk s PRO 66 Cb -0.08 -3.68 2.21 0.00 0.04 0.00 0.00 34.50 32.99 2dbk s PRO 66 CO 0.01 -0.66 2.26 0.27 0.04 0.00 0.00 177.00 178.92 2dbk h PHE 67 N 8.26 0.00 0.00 0.56 -5.15 -1.89 0.48 116.94 119.21 2dbk h PHE 67 Ca -0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.40 2dbk h PHE 67 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.34 2dbk h PHE 67 CO 0.79 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 177.35 2dbk n THR 68 N -2.98 0.01 -0.07 0.88 -2.24 -1.26 -3.17 114.28 105.44 2dbk n THR 68 Ca -0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 2dbk n THR 68 Cb 0.09 -0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.03 0.00 -4.47 4.78 8.25 0.16 -4.96 115.22 117.95 2dbk n HIS 69 Ca 0.22 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.34 2dbk n HIS 69 Cb 0.12 -0.71 -0.12 0.00 1.12 0.00 0.00 29.99 30.40 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 -2.37 3.85 -0.10 1.59 -7.23 -1.19 -3.03 120.40 111.91 2dbk s VAL 70 Ca -0.07 -0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 2dbk s VAL 70 Cb 0.04 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2dbk s VAL 70 CO 0.60 0.53 0.62 -0.75 -0.31 0.00 0.00 175.10 175.79 2dbk s LYS 71 N -0.02 4.37 -0.28 4.82 2.47 -0.86 -4.85 119.74 125.39 2dbk s LYS 71 Ca 0.01 0.71 -0.29 0.00 -1.56 0.00 0.00 55.97 54.84 2dbk s LYS 71 Cb -0.13 -3.46 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 2dbk s LYS 71 CO 0.03 0.04 1.27 0.42 0.16 0.00 0.00 175.35 177.27 2dbk s ILE 72 N 0.93 4.20 0.10 5.43 -1.09 -1.26 -2.11 121.20 127.40 2dbk s ILE 72 Ca 0.33 1.38 0.04 0.00 -2.23 0.00 0.00 60.65 60.17 2dbk s ILE 72 Cb -0.17 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2dbk s ILE 72 CO 0.14 -0.41 -0.10 0.72 -1.23 0.00 0.00 174.94 174.06 2dbk s PHE 73 N 4.15 1.08 0.05 3.97 -0.71 -1.19 -5.02 117.98 120.29 2dbk s PHE 73 Ca 0.55 -0.65 -0.12 0.00 -1.04 0.00 0.00 56.93 55.67 2dbk s PHE 73 Cb -0.17 -0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 40.99 2dbk s PHE 73 CO 0.21 0.01 0.41 -0.51 -1.34 0.00 0.00 175.22 173.99 2dbk s ASP 74 N -2.44 6.73 0.43 1.98 1.11 -1.26 -4.55 116.67 118.67 2dbk s ASP 74 Ca 0.05 0.89 0.22 0.00 0.18 0.00 0.00 52.55 53.89 2dbk s ASP 74 Cb -0.03 -2.22 0.96 0.00 1.07 0.00 0.00 42.92 42.70 2dbk s ASP 74 CO 0.00 0.24 1.86 1.55 1.18 0.00 0.00 175.17 180.00 2dbk h PRO 75 N 4.17 0.00 -0.74 8.23 0.13 -2.01 -3.29 132.00 138.50 2dbk h PRO 75 Ca -0.50 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.74 2dbk h PRO 75 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2dbk h PRO 75 CO 0.64 0.26 -0.28 1.04 -0.23 0.00 0.00 178.00 179.43 2dbk n GLN 76 N -3.56 -0.16 -1.57 0.86 1.13 -1.26 -4.41 117.38 108.42 2dbk n GLN 76 Ca -0.01 1.14 -0.53 0.00 -1.94 0.00 0.00 57.00 55.67 2dbk n GLN 76 Cb 0.41 -1.69 -0.06 0.00 0.11 0.00 0.00 30.24 29.01 2dbk n GLN 76 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2dbk n ASN 77 N -5.10 1.20 0.05 1.08 2.85 -1.24 -4.82 115.26 109.28 2dbk n ASN 77 Ca 0.08 1.13 0.09 0.00 -0.11 0.00 0.00 54.58 55.77 2dbk n ASN 77 Cb 0.30 -1.14 0.37 0.00 1.24 0.00 0.00 39.78 40.56 2dbk n ASN 77 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2dbk n PRO 78 N 2.15 0.07 -0.07 1.20 -0.04 -1.26 -3.68 135.00 133.37 2dbk n PRO 78 Ca 0.18 0.32 -0.14 0.00 -0.04 0.00 0.00 63.50 63.82 2dbk n PRO 78 Cb 0.18 -1.63 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 2dbk n PRO 78 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2dbk h ASP 79 N 0.00 -1.72 -0.46 3.54 3.58 -1.89 -3.27 116.42 116.20 2dbk h ASP 79 Ca 0.00 0.22 -0.21 0.00 0.42 0.00 0.00 57.03 57.45 2dbk h ASP 79 Cb 0.28 0.69 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 2dbk h ASP 79 CO 0.00 -0.44 0.63 -0.70 -2.88 0.00 0.00 179.24 175.85 2dbk s GLU 80 N -5.72 2.13 0.14 0.28 2.56 -1.24 -4.77 118.70 112.09 2dbk s GLU 80 Ca -0.15 -0.53 -0.20 0.00 0.00 0.00 0.00 54.97 54.09 2dbk s GLU 80 Cb 0.08 -5.08 0.02 0.00 2.00 0.00 0.00 34.13 31.16 2dbk s GLU 80 CO 0.62 -4.16 1.67 -0.91 -0.56 0.00 0.00 175.26 171.92 2dbk h ASN 81 N 10.96 -0.39 -1.39 -1.70 4.21 -1.90 -3.33 115.58 122.04 2dbk h ASN 81 Ca 0.11 0.10 -0.53 0.00 1.21 0.00 0.00 56.30 57.18 2dbk h ASN 81 Cb 0.98 0.22 -0.08 0.00 -1.12 0.00 0.00 38.32 38.32 2dbk h ASN 81 CO 1.15 -0.15 1.28 -0.70 -1.29 0.00 0.00 177.43 177.72 2dbk s GLU 82 N -6.18 3.29 0.10 0.81 2.12 -1.26 -4.85 118.70 112.73 2dbk s GLU 82 Ca -0.14 -0.69 -0.24 0.00 0.36 0.00 0.00 54.97 54.26 2dbk s GLU 82 Cb 0.12 -4.99 -0.10 0.00 0.26 0.00 0.00 34.13 29.42 2dbk s GLU 82 CO 0.69 -2.40 1.69 1.03 -0.54 0.00 0.00 175.26 175.73 2dbk h SER 83 N 10.39 -0.31 -1.13 -1.70 0.87 -2.00 -3.48 113.55 116.18 2dbk h SER 83 Ca 0.05 0.04 0.10 0.00 -1.23 0.00 0.00 61.79 60.75 2dbk h SER 83 Cb 1.03 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 2dbk h SER 83 CO 1.35 -0.17 0.29 0.61 -0.53 0.00 0.00 176.83 178.39 2dbk n GLY 84 N -1.24 0.74 0.00 5.77 0.00 -1.26 -4.99 105.19 104.21 2dbk n GLY 84 Ca -0.06 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.07 2dbk n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbk n PRO 85 N -0.32 0.44 -1.47 1.61 -0.04 -1.26 -4.79 135.00 129.16 2dbk n PRO 85 Ca 0.00 0.03 -0.44 0.00 -0.04 0.00 0.00 63.50 63.05 2dbk n PRO 85 Cb 0.23 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 2dbk n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dbk n SER 86 N -1.05 1.27 -3.67 3.54 2.88 -1.26 -4.87 113.62 110.46 2dbk n SER 86 Ca 0.11 0.11 -0.09 0.00 -1.33 0.00 0.00 58.87 57.67 2dbk n SER 86 Cb 0.06 -1.16 -0.09 0.00 -0.75 0.00 0.00 64.21 62.27 2dbk n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbk s SER 87 N 9.12 -0.52 0.00 -3.46 0.15 -1.26 -5.11 113.70 112.62 2dbk s SER 87 Ca 1.19 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.89 2dbk s SER 87 Cb -0.92 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2dbk s SER 87 CO 0.45 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.29