#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rl8 s GLN 2 N 0.00 3.44 -0.23 0.54 0.74 -1.26 -5.08 119.66 117.82 1rl8 s GLN 2 Ca 0.00 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.88 1rl8 s GLN 2 Cb 0.00 -2.81 0.05 0.00 1.10 0.00 0.00 33.01 31.35 1rl8 s GLN 2 CO 0.00 0.33 -0.10 0.42 -0.55 0.00 0.00 175.29 175.39 1rl8 s ILE 3 N 0.10 1.85 0.69 -2.34 1.01 -1.26 -5.12 121.20 116.13 1rl8 s ILE 3 Ca -0.01 -1.28 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1rl8 s ILE 3 Cb -0.14 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1rl8 s ILE 3 CO 0.03 0.07 1.09 0.42 0.00 0.00 0.00 174.94 176.55 1rl8 s THR 4 N 1.28 3.67 -0.30 2.92 -4.23 -1.26 -5.04 115.64 112.68 1rl8 s THR 4 Ca -0.05 0.54 0.11 0.00 -1.18 0.00 0.00 61.69 61.11 1rl8 s THR 4 Cb -0.18 -3.53 0.62 0.00 1.34 0.00 0.00 72.50 70.75 1rl8 s THR 4 CO -0.07 -0.71 1.63 0.18 -0.54 0.00 0.00 174.62 175.11 1rl8 n LEU 5 N -2.97 5.08 0.25 4.79 4.77 -1.26 -4.58 117.00 123.08 1rl8 n LEU 5 Ca 0.07 -3.38 0.16 0.00 -0.03 0.00 0.00 56.01 52.83 1rl8 n LEU 5 Cb 0.57 -0.68 0.66 0.00 -2.33 0.00 0.00 43.42 41.64 1rl8 n LEU 5 CO 0.58 0.94 0.97 -0.50 -1.33 0.00 0.00 177.39 178.05 1rl8 h TRP 6 N 1.78 0.00 -2.81 -1.77 4.06 -2.07 -3.43 115.95 111.71 1rl8 h TRP 6 Ca 0.24 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.69 1rl8 h TRP 6 Cb 2.00 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 30.01 1rl8 h TRP 6 CO 1.06 0.00 -0.75 -0.65 -3.56 0.00 0.00 178.44 174.54 1rl8 s GLN 7 N -3.61 1.39 0.22 0.49 -1.52 -1.26 -5.10 119.66 110.27 1rl8 s GLN 7 Ca 0.02 -1.60 -0.32 0.00 -1.95 0.00 0.00 55.36 51.51 1rl8 s GLN 7 Cb 0.09 -1.30 -0.13 0.00 -0.22 0.00 0.00 33.01 31.45 1rl8 s GLN 7 CO 0.51 0.23 1.58 0.54 -0.25 0.00 0.00 175.29 177.90 1rl8 n ARG 8 N -0.31 2.38 -1.45 2.91 1.74 -1.26 -4.84 116.66 115.82 1rl8 n ARG 8 Ca -0.08 0.85 -0.40 0.00 -0.77 0.00 0.00 57.85 57.45 1rl8 n ARG 8 Cb 0.60 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 1rl8 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1rl8 n PRO 9 N 2.97 2.75 -2.93 5.56 -0.04 -1.26 -4.93 135.00 137.12 1rl8 n PRO 9 Ca 0.14 -2.28 -0.40 0.00 -0.04 0.00 0.00 63.50 60.91 1rl8 n PRO 9 Cb 0.32 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.69 1rl8 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rl8 s LEU 10 N 1.38 4.44 0.23 1.53 1.43 -1.26 -1.09 118.68 125.35 1rl8 s LEU 10 Ca 0.53 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 55.15 1rl8 s LEU 10 Cb 0.15 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 1rl8 s LEU 10 CO -0.04 -0.03 0.02 0.68 0.23 0.00 0.00 176.35 177.21 1rl8 s VAL 11 N 0.12 0.87 -0.12 -1.59 -7.23 0.15 -4.93 120.40 107.66 1rl8 s VAL 11 Ca 0.41 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 1rl8 s VAL 11 Cb -0.21 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 1rl8 s VAL 11 CO 0.24 -0.26 0.32 -0.89 -0.31 0.00 0.00 175.10 174.20 1rl8 s THR 12 N -3.53 5.26 0.10 5.32 2.01 -1.26 -1.07 115.64 122.47 1rl8 s THR 12 Ca 0.30 0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.99 1rl8 s THR 12 Cb 0.06 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1rl8 s THR 12 CO 0.09 0.43 -0.19 0.27 -0.69 0.00 0.00 174.62 174.54 1rl8 s ILE 13 N 0.10 1.55 -0.11 1.82 -4.36 0.21 -0.44 121.20 119.97 1rl8 s ILE 13 Ca 0.19 -1.50 0.04 0.00 -0.26 0.00 0.00 60.65 59.11 1rl8 s ILE 13 Cb -0.14 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.14 1rl8 s ILE 13 CO 0.06 -0.12 -0.23 -0.75 0.24 0.00 0.00 174.94 174.14 1rl8 s LYS 14 N -1.92 2.95 -0.19 0.37 2.20 -0.38 -1.15 119.74 121.62 1rl8 s LYS 14 Ca 0.05 -0.84 -0.19 0.00 -0.36 0.00 0.00 55.97 54.62 1rl8 s LYS 14 Cb -0.10 -2.27 0.05 0.00 -1.51 0.00 0.00 37.83 34.01 1rl8 s LYS 14 CO 0.04 0.13 0.54 -1.50 -0.36 0.00 0.00 175.35 174.20 1rl8 s ILE 15 N 0.46 0.00 -1.72 5.43 2.07 -0.07 -1.60 121.20 125.77 1rl8 s ILE 15 Ca -0.16 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 1rl8 s ILE 15 Cb -0.17 -0.76 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1rl8 s ILE 15 CO 0.06 -0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1rl8 n GLY 16 N 2.68 0.19 2.92 1.50 0.00 -1.26 -0.75 105.19 110.47 1rl8 n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1rl8 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rl8 n GLY 17 N -0.78 2.42 3.86 -0.02 0.00 -1.26 -4.99 105.19 104.42 1rl8 n GLY 17 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1rl8 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rl8 s GLN 18 N -0.03 3.12 -0.18 1.61 -0.21 0.07 -5.10 119.66 118.93 1rl8 s GLN 18 Ca 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 1rl8 s GLN 18 Cb 0.00 -2.76 -0.05 0.00 1.00 0.00 0.00 33.01 31.20 1rl8 s GLN 18 CO 0.00 0.49 0.10 -0.51 -2.12 0.00 0.00 175.29 173.25 1rl8 s LEU 19 N -3.26 4.05 0.17 2.90 1.02 -1.26 -0.89 118.68 121.40 1rl8 s LEU 19 Ca 0.32 0.19 -0.07 0.00 0.02 0.00 0.00 54.13 54.59 1rl8 s LEU 19 Cb -0.10 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 1rl8 s LEU 19 CO 0.26 0.20 0.23 -0.54 0.02 0.00 0.00 176.35 176.52 1rl8 s LYS 20 N 0.23 1.14 0.06 1.70 1.02 -0.30 -5.01 119.74 118.57 1rl8 s LYS 20 Ca 0.07 -1.29 0.05 0.00 0.02 0.00 0.00 55.97 54.82 1rl8 s LYS 20 Cb -0.12 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 1rl8 s LYS 20 CO -0.01 -0.40 -0.09 -1.21 -0.92 0.00 0.00 175.35 172.72 1rl8 s GLU 21 N -4.01 2.31 0.12 1.68 2.02 -1.26 -0.62 118.70 118.94 1rl8 s GLU 21 Ca 0.21 -0.89 -0.12 0.00 0.02 0.00 0.00 54.97 54.20 1rl8 s GLU 21 Cb 0.04 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.90 1rl8 s GLU 21 CO 0.02 0.55 0.30 0.00 0.02 0.00 0.00 175.26 176.15 1rl8 s ALA 22 N -1.10 -0.45 -0.10 5.21 0.00 -0.23 -4.63 121.76 120.46 1rl8 s ALA 22 Ca 0.19 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1rl8 s ALA 22 Cb -0.11 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 1rl8 s ALA 22 CO 0.10 -0.60 0.44 -1.17 0.00 0.00 0.00 175.76 174.54 1rl8 s LEU 23 N -2.86 4.31 -0.36 0.00 2.96 0.59 -0.67 118.68 122.63 1rl8 s LEU 23 Ca 0.07 0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 54.49 1rl8 s LEU 23 Cb 0.03 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 44.10 1rl8 s LEU 23 CO -0.09 0.07 1.19 -0.76 -1.32 0.00 0.00 176.35 175.44 1rl8 s LEU 24 N 0.31 3.81 -0.48 -0.68 1.43 -0.25 -0.42 118.68 122.40 1rl8 s LEU 24 Ca 0.24 0.93 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1rl8 s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.65 1rl8 s LEU 24 CO 0.10 -1.09 0.23 -0.62 0.23 0.00 0.00 176.35 175.20 1rl8 s ASP 25 N 2.41 4.31 0.61 2.29 -1.08 -0.26 -4.81 116.67 120.14 1rl8 s ASP 25 Ca 0.51 -2.84 0.41 0.00 -0.52 0.00 0.00 52.55 50.10 1rl8 s ASP 25 Cb -0.12 -1.57 2.22 0.00 -1.46 0.00 0.00 42.92 41.98 1rl8 s ASP 25 CO 0.24 -0.26 2.25 0.71 0.52 0.00 0.00 175.17 178.63 1rl8 h THR 26 N 5.64 0.00 -0.06 1.71 1.35 -1.93 -0.96 112.91 118.66 1rl8 h THR 26 Ca -0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1rl8 h THR 26 Cb 0.91 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1rl8 h THR 26 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1rl8 n GLY 27 N -1.12 -0.21 3.40 5.82 0.00 -1.26 -4.82 105.19 107.00 1rl8 n GLY 27 Ca -0.03 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1rl8 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl8 s ALA 28 N -1.93 2.86 0.19 4.61 0.00 -0.36 -4.98 121.76 122.14 1rl8 s ALA 28 Ca 0.37 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 1rl8 s ALA 28 Cb 0.19 -1.57 0.12 0.00 0.00 0.00 0.00 23.12 21.86 1rl8 s ALA 28 CO 0.30 -0.05 1.57 -0.44 0.00 0.00 0.00 175.76 177.14 1rl8 h ASP 29 N 7.29 0.80 -1.73 0.00 3.32 -1.87 0.43 116.42 124.67 1rl8 h ASP 29 Ca -0.34 -0.34 -0.60 0.00 0.02 0.00 0.00 57.03 55.77 1rl8 h ASP 29 Cb 1.18 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 40.40 1rl8 h ASP 29 CO 0.60 1.06 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.79 1rl8 s ASP 30 N -6.81 4.07 -0.23 6.45 1.01 -1.26 -2.48 116.67 117.43 1rl8 s ASP 30 Ca -0.09 -1.19 -0.09 0.00 0.71 0.00 0.00 52.55 51.89 1rl8 s ASP 30 Cb 0.12 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.57 1rl8 s ASP 30 CO 0.85 -0.40 0.11 -0.89 0.21 0.00 0.00 175.17 175.05 1rl8 s THR 31 N -2.63 4.95 -0.06 -1.27 2.01 -1.26 -3.19 115.64 114.19 1rl8 s THR 31 Ca 0.36 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1rl8 s THR 31 Cb 0.05 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1rl8 s THR 31 CO 0.19 0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.68 1rl8 s VAL 32 N 1.01 1.14 0.14 3.82 1.01 -0.49 -1.30 120.40 125.73 1rl8 s VAL 32 Ca 0.06 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1rl8 s VAL 32 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1rl8 s VAL 32 CO 0.04 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 1rl8 s LEU 33 N 0.57 2.36 0.86 3.92 1.02 0.88 -1.02 118.68 127.27 1rl8 s LEU 33 Ca -0.13 -0.77 -0.11 0.00 0.02 0.00 0.00 54.13 53.14 1rl8 s LEU 33 Cb -0.15 -0.97 0.11 0.00 0.02 0.00 0.00 46.19 45.20 1rl8 s LEU 33 CO 0.03 0.06 1.16 -1.61 0.02 0.00 0.00 176.35 176.01 1rl8 s GLU 34 N -2.30 1.39 -0.48 1.70 2.02 -1.26 -0.97 118.70 118.81 1rl8 s GLU 34 Ca 0.13 1.56 -0.44 0.00 0.02 0.00 0.00 54.97 56.24 1rl8 s GLU 34 Cb -0.08 -1.77 -0.18 0.00 0.10 0.00 0.00 34.13 32.19 1rl8 s GLU 34 CO 0.06 -2.36 1.96 0.39 0.02 0.00 0.00 175.26 175.34 1rl8 n GLU 35 N -3.82 0.15 -4.07 1.61 -0.58 -1.14 -4.54 120.64 108.26 1rl8 n GLU 35 Ca 0.12 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.81 1rl8 n GLU 35 Cb 0.52 -1.61 -0.08 0.00 -0.57 0.00 0.00 31.44 29.70 1rl8 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rl8 s MET 36 N 5.00 1.27 -0.39 3.49 0.23 -1.26 -5.03 119.30 122.60 1rl8 s MET 36 Ca 1.14 -1.37 -0.23 0.00 -1.03 0.00 0.00 55.69 54.20 1rl8 s MET 36 Cb -1.42 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 32.25 1rl8 s MET 36 CO 0.69 -0.46 0.78 -1.12 -2.03 0.00 0.00 175.02 172.88 1rl8 s SER 37 N -3.05 6.51 0.02 -1.18 0.01 -1.26 -5.05 113.70 109.70 1rl8 s SER 37 Ca 0.26 0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.79 1rl8 s SER 37 Cb 0.04 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1rl8 s SER 37 CO 0.07 -0.78 -0.14 -0.76 0.41 0.00 0.00 173.24 172.03 1rl8 s LEU 38 N 3.15 2.11 0.42 2.44 1.43 -1.26 -4.81 118.68 122.16 1rl8 s LEU 38 Ca 0.31 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1rl8 s LEU 38 Cb -0.13 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1rl8 s LEU 38 CO 0.19 0.09 0.72 -2.16 0.23 0.00 0.00 176.35 175.42 1rl8 s PRO 39 N -0.81 3.60 0.00 1.29 0.04 -1.26 -5.00 135.00 132.86 1rl8 s PRO 39 Ca 0.03 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1rl8 s PRO 39 Cb -0.07 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1rl8 s PRO 39 CO 0.01 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1rl8 n GLY 40 N -1.79 -1.73 3.96 0.56 0.00 -1.26 -5.03 105.19 99.90 1rl8 n GLY 40 Ca 0.00 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.70 1rl8 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl8 s ALA 41 N -1.89 3.74 -0.29 4.61 0.00 -1.26 -5.13 121.76 121.55 1rl8 s ALA 41 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1rl8 s ALA 41 Cb 0.00 -2.18 0.13 0.00 0.00 0.00 0.00 23.12 21.07 1rl8 s ALA 41 CO 0.00 -0.62 0.98 1.67 0.00 0.00 0.00 175.76 177.79 1rl8 s TRP 42 N -2.72 -0.57 0.00 0.00 1.48 -1.26 -4.49 118.94 111.39 1rl8 s TRP 42 Ca 0.53 1.21 -0.09 0.00 -1.06 0.00 0.00 56.10 56.69 1rl8 s TRP 42 Cb -0.10 0.37 -0.05 0.00 -1.16 0.00 0.00 33.47 32.53 1rl8 s TRP 42 CO 0.39 -0.28 0.31 0.15 -4.06 0.00 0.00 176.95 173.46 1rl8 s LYS 43 N 0.98 3.68 0.39 3.25 1.02 -0.97 -4.83 119.74 123.26 1rl8 s LYS 43 Ca -0.05 0.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.78 1rl8 s LYS 43 Cb -0.04 -3.11 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 1rl8 s LYS 43 CO -0.12 0.66 1.17 -1.25 -0.92 0.00 0.00 175.35 174.89 1rl8 s PRO 44 N -1.50 4.11 0.21 -1.68 0.04 -1.26 -1.58 135.00 133.34 1rl8 s PRO 44 Ca 0.26 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 1rl8 s PRO 44 Cb -0.14 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1rl8 s PRO 44 CO 0.14 -0.27 0.27 0.21 0.04 0.00 0.00 177.00 177.38 1rl8 s LYS 45 N -2.22 1.31 -0.05 4.56 2.20 -0.73 -4.86 119.74 119.94 1rl8 s LYS 45 Ca 0.56 -1.44 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1rl8 s LYS 45 Cb -0.31 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1rl8 s LYS 45 CO 0.39 -0.48 -0.11 1.41 -0.36 0.00 0.00 175.35 176.21 1rl8 s MET 46 N -4.09 1.43 0.19 4.03 -2.45 -1.26 -1.73 119.30 115.43 1rl8 s MET 46 Ca 0.30 -0.35 0.10 0.00 -1.25 0.00 0.00 55.69 54.50 1rl8 s MET 46 Cb 0.04 -1.23 -0.04 0.00 1.25 0.00 0.00 34.83 34.85 1rl8 s MET 46 CO 0.09 0.03 -0.21 0.96 1.05 0.00 0.00 175.02 176.94 1rl8 s ILE 47 N 0.60 2.16 0.19 10.11 -4.36 -0.55 -4.96 121.20 124.40 1rl8 s ILE 47 Ca -0.12 -2.04 0.05 0.00 -0.26 0.00 0.00 60.65 58.28 1rl8 s ILE 47 Cb -0.14 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 1rl8 s ILE 47 CO 0.03 -0.23 -0.09 -0.83 0.24 0.00 0.00 174.94 174.05 1rl8 s GLY 48 N -2.79 1.33 0.00 6.27 0.00 -1.26 -0.06 107.32 110.81 1rl8 s GLY 48 Ca 0.20 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1rl8 s GLY 48 CO 0.09 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.13 1rl8 n GLY 49 N -0.33 3.65 3.74 0.20 0.00 0.56 -4.98 105.19 108.04 1rl8 n GLY 49 Ca -0.08 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1rl8 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rl8 s ILE 50 N -2.12 2.60 0.00 -0.61 1.01 -1.26 -2.55 121.20 118.27 1rl8 s ILE 50 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1rl8 s ILE 50 Cb 0.00 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1rl8 s ILE 50 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1rl8 n GLY 51 N 0.22 2.70 0.00 6.18 0.00 -1.26 -4.86 105.19 108.17 1rl8 n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1rl8 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rl8 n GLY 52 N -1.94 0.46 3.40 -0.02 0.00 -1.06 -5.11 105.19 100.92 1rl8 n GLY 52 Ca 0.00 -1.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1rl8 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rl8 s PHE 53 N -2.57 1.90 0.05 1.61 0.40 -1.26 -0.32 117.98 117.78 1rl8 s PHE 53 Ca 0.00 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1rl8 s PHE 53 Cb 0.00 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 1rl8 s PHE 53 CO 0.00 0.40 -0.09 0.96 0.70 0.00 0.00 175.22 177.18 1rl8 s ILE 54 N -2.90 0.69 -0.01 0.64 -4.36 0.92 -4.97 121.20 111.20 1rl8 s ILE 54 Ca 0.26 -1.17 -0.18 0.00 -0.26 0.00 0.00 60.65 59.30 1rl8 s ILE 54 Cb 0.00 -0.77 -0.05 0.00 1.25 0.00 0.00 42.46 42.89 1rl8 s ILE 54 CO 0.10 -0.36 0.50 -0.54 0.24 0.00 0.00 174.94 174.88 1rl8 s LYS 55 N -1.71 4.18 0.17 0.37 1.02 -1.26 -1.49 119.74 121.02 1rl8 s LYS 55 Ca -0.07 0.57 -0.08 0.00 0.02 0.00 0.00 55.97 56.40 1rl8 s LYS 55 Cb -0.09 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1rl8 s LYS 55 CO 0.01 0.48 0.27 0.08 -0.92 0.00 0.00 175.35 175.27 1rl8 s VAL 56 N -0.47 0.06 -0.23 3.17 1.01 -0.70 -4.44 120.40 118.80 1rl8 s VAL 56 Ca 0.27 -1.44 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 1rl8 s VAL 56 Cb -0.17 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1rl8 s VAL 56 CO 0.15 -0.29 -0.00 -0.13 0.00 0.00 0.00 175.10 174.83 1rl8 s ARG 57 N -3.98 3.48 -0.31 2.72 0.52 0.43 -1.77 118.95 120.04 1rl8 s ARG 57 Ca 0.18 -0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 54.59 1rl8 s ARG 57 Cb 0.04 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1rl8 s ARG 57 CO 0.01 -0.19 0.80 -1.14 0.02 0.00 0.00 175.30 174.80 1rl8 s GLN 58 N 1.51 3.94 -0.18 3.54 0.74 -0.62 -0.91 119.66 127.68 1rl8 s GLN 58 Ca 0.06 0.57 -0.03 0.00 0.05 0.00 0.00 55.36 56.01 1rl8 s GLN 58 Cb -0.15 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1rl8 s GLN 58 CO -0.01 -0.71 -0.06 0.71 -0.55 0.00 0.00 175.29 174.67 1rl8 s TYR 59 N 3.01 2.94 0.30 1.67 1.51 0.65 -2.29 117.35 125.14 1rl8 s TYR 59 Ca 0.33 -0.65 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 1rl8 s TYR 59 Cb -0.14 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.65 1rl8 s TYR 59 CO 0.13 -0.30 0.61 -0.51 -1.11 0.00 0.00 175.55 174.38 1rl8 s ASP 60 N 0.86 6.53 -1.52 2.29 1.01 -1.26 -0.87 116.67 123.71 1rl8 s ASP 60 Ca -0.01 0.91 -0.10 0.00 0.71 0.00 0.00 52.55 54.05 1rl8 s ASP 60 Cb -0.15 -2.22 0.07 0.00 1.01 0.00 0.00 42.92 41.63 1rl8 s ASP 60 CO 0.01 -0.21 0.78 0.00 0.21 0.00 0.00 175.17 175.96 1rl8 n GLN 61 N -0.76 -4.39 -2.97 8.23 6.02 -1.17 -4.87 117.38 117.46 1rl8 n GLN 61 Ca 0.00 0.51 -0.39 0.00 -0.01 0.00 0.00 57.00 57.11 1rl8 n GLN 61 Cb 0.53 -5.15 -0.06 0.00 1.02 0.00 0.00 30.24 26.58 1rl8 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rl8 s ILE 62 N -3.49 4.37 0.17 5.09 -1.09 0.98 -4.57 121.20 122.67 1rl8 s ILE 62 Ca 0.45 1.66 -0.22 0.00 -2.23 0.00 0.00 60.65 60.31 1rl8 s ILE 62 Cb -0.23 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.48 1rl8 s ILE 62 CO 0.86 0.43 0.71 -0.22 -1.23 0.00 0.00 174.94 175.49 1rl8 s LEU 63 N -1.39 4.49 -0.05 2.97 2.96 -1.26 -0.87 118.68 125.53 1rl8 s LEU 63 Ca 0.39 1.48 -0.12 0.00 -0.22 0.00 0.00 54.13 55.66 1rl8 s LEU 63 Cb -0.22 -3.31 0.02 0.00 0.50 0.00 0.00 46.19 43.19 1rl8 s LEU 63 CO 0.25 0.16 0.28 -0.51 -1.32 0.00 0.00 176.35 175.22 1rl8 s ILE 64 N -1.27 0.04 -0.22 6.68 2.07 0.10 -4.46 121.20 124.13 1rl8 s ILE 64 Ca 0.37 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 1rl8 s ILE 64 Cb -0.20 -0.51 0.04 0.00 0.13 0.00 0.00 42.46 41.91 1rl8 s ILE 64 CO 0.23 -0.17 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.25 1rl8 s GLU 65 N -0.73 2.70 -0.22 3.50 2.12 -0.63 -0.79 118.70 124.65 1rl8 s GLU 65 Ca -0.08 -1.04 -0.07 0.00 0.36 0.00 0.00 54.97 54.14 1rl8 s GLU 65 Cb -0.04 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 1rl8 s GLU 65 CO 0.02 -0.37 0.06 0.42 -0.54 0.00 0.00 175.26 174.85 1rl8 s ILE 66 N 1.23 4.42 -0.13 -3.70 1.01 0.28 -1.24 121.20 123.07 1rl8 s ILE 66 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1rl8 s ILE 66 Cb -0.16 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1rl8 s ILE 66 CO -0.08 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.24 1rl8 n GLY 68 N -0.40 2.35 3.89 0.00 0.00 -1.26 -5.03 105.19 104.74 1rl8 n GLY 68 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1rl8 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rl8 s HIS 69 N -2.32 3.59 0.20 1.61 4.02 0.10 -5.06 115.29 117.44 1rl8 s HIS 69 Ca 0.00 0.48 -0.02 0.00 1.02 0.00 0.00 55.06 56.54 1rl8 s HIS 69 Cb 0.00 -1.91 -0.05 0.00 -1.02 0.00 0.00 32.58 29.61 1rl8 s HIS 69 CO 0.00 0.71 0.41 0.15 1.02 0.00 0.00 174.74 177.03 1rl8 s LYS 70 N -1.33 3.55 0.11 1.40 1.02 -1.26 0.10 119.74 123.34 1rl8 s LYS 70 Ca 0.19 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 55.68 1rl8 s LYS 70 Cb -0.12 -2.82 0.08 0.00 -0.52 0.00 0.00 37.83 34.45 1rl8 s LYS 70 CO 0.09 0.39 0.65 0.00 -0.92 0.00 0.00 175.35 175.56 1rl8 s ALA 71 N -1.86 -1.65 -0.04 5.17 0.00 0.03 -4.74 121.76 118.66 1rl8 s ALA 71 Ca 0.40 0.65 0.04 0.00 0.00 0.00 0.00 51.96 53.04 1rl8 s ALA 71 Cb -0.11 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1rl8 s ALA 71 CO 0.28 -0.72 -0.15 0.42 0.00 0.00 0.00 175.76 175.60 1rl8 s ILE 72 N -3.42 1.25 -0.05 0.00 1.01 -1.26 -0.72 121.20 118.01 1rl8 s ILE 72 Ca 0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1rl8 s ILE 72 Cb -0.01 -1.09 0.05 0.00 0.01 0.00 0.00 42.46 41.43 1rl8 s ILE 72 CO -0.10 0.37 0.72 0.61 0.00 0.00 0.00 174.94 176.54 1rl8 n GLY 73 N 3.30 0.23 3.73 6.18 0.00 -0.05 -4.86 105.19 113.72 1rl8 n GLY 73 Ca -0.19 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1rl8 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rl8 s THR 74 N -2.00 3.97 -0.06 2.61 2.01 -1.26 -0.01 115.64 120.89 1rl8 s THR 74 Ca 0.17 1.56 0.03 0.00 0.31 0.00 0.00 61.69 63.76 1rl8 s THR 74 Cb -0.00 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1rl8 s THR 74 CO -0.02 0.20 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.29 1rl8 s VAL 75 N 0.33 1.20 -0.10 3.82 1.01 -0.05 -4.47 120.40 122.14 1rl8 s VAL 75 Ca 0.53 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1rl8 s VAL 75 Cb -0.29 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1rl8 s VAL 75 CO 0.33 0.36 0.04 -0.76 0.00 0.00 0.00 175.10 175.07 1rl8 s LEU 76 N 0.48 3.78 -0.09 3.92 1.02 -0.42 -0.26 118.68 127.11 1rl8 s LEU 76 Ca -0.12 0.22 0.04 0.00 0.02 0.00 0.00 54.13 54.29 1rl8 s LEU 76 Cb -0.14 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 1rl8 s LEU 76 CO 0.03 0.37 -0.24 -0.69 0.02 0.00 0.00 176.35 175.85 1rl8 s VAL 77 N -0.84 2.03 -0.02 -1.59 1.01 -0.09 -0.08 120.40 120.82 1rl8 s VAL 77 Ca 0.13 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1rl8 s VAL 77 Cb -0.12 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1rl8 s VAL 77 CO 0.03 0.55 0.47 0.61 0.00 0.00 0.00 175.10 176.76 1rl8 n GLY 78 N 3.47 0.39 2.21 4.51 0.00 -0.14 -0.42 105.19 115.20 1rl8 n GLY 78 Ca -0.19 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1rl8 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rl8 n PRO 79 N -0.34 1.66 -2.64 1.61 -0.04 -1.26 -2.88 135.00 131.10 1rl8 n PRO 79 Ca 0.02 -0.90 -0.40 0.00 -0.04 0.00 0.00 63.50 62.18 1rl8 n PRO 79 Cb 0.21 -1.99 -0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1rl8 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1rl8 s THR 80 N 1.84 3.94 -1.57 0.52 -1.32 -1.26 -4.90 115.64 112.90 1rl8 s THR 80 Ca 0.48 1.86 0.14 0.00 -1.21 0.00 0.00 61.69 62.96 1rl8 s THR 80 Cb 0.21 -4.19 0.27 0.00 -1.51 0.00 0.00 72.50 67.29 1rl8 s THR 80 CO -0.01 0.41 1.33 -2.65 -2.21 0.00 0.00 174.62 171.49 1rl8 n PRO 81 N 1.70 0.25 -3.59 7.08 -0.02 -1.26 -4.62 135.00 134.54 1rl8 n PRO 81 Ca -0.01 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 1rl8 n PRO 81 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 1rl8 n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rl8 s ALA 82 N -2.43 -1.87 -0.07 3.55 0.00 -1.26 -5.10 121.76 114.57 1rl8 s ALA 82 Ca 0.15 1.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 1rl8 s ALA 82 Cb 0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 1rl8 s ALA 82 CO 0.19 -0.31 1.11 -0.80 0.00 0.00 0.00 175.76 175.95 1rl8 s ASN 83 N -0.43 7.15 -0.09 0.00 0.01 -1.26 -4.70 114.94 115.63 1rl8 s ASN 83 Ca -0.02 1.69 0.03 0.00 -0.71 0.00 0.00 52.86 53.85 1rl8 s ASN 83 Cb -0.03 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1rl8 s ASN 83 CO 0.01 -0.51 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.29 1rl8 s ILE 84 N 2.03 1.63 -0.34 0.60 1.01 -0.19 -0.30 121.20 125.64 1rl8 s ILE 84 Ca 0.52 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 1rl8 s ILE 84 Cb -0.22 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 1rl8 s ILE 84 CO 0.21 0.46 0.21 -0.63 0.00 0.00 0.00 174.94 175.19 1rl8 s ILE 85 N 0.53 4.92 0.36 2.92 -1.09 0.45 -1.39 121.20 127.89 1rl8 s ILE 85 Ca -0.16 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1rl8 s ILE 85 Cb -0.17 -3.57 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1rl8 s ILE 85 CO 0.06 -0.04 0.49 0.61 -1.23 0.00 0.00 174.94 174.82 1rl8 n GLY 86 N 5.05 0.97 0.31 6.18 0.00 -1.19 -1.10 105.19 115.41 1rl8 n GLY 86 Ca -0.13 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 43.95 1rl8 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rl8 h ARG 87 N 0.00 0.31 -0.75 1.61 3.08 -0.10 -1.57 114.38 116.95 1rl8 h ARG 87 Ca -0.16 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.02 1rl8 h ARG 87 Cb 0.63 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1rl8 h ARG 87 CO 0.18 0.20 0.50 -2.95 -1.07 0.00 0.00 179.97 176.84 1rl8 h ASN 88 N 0.31 0.40 0.05 7.04 -1.07 -1.74 -1.57 115.58 119.00 1rl8 h ASN 88 Ca 0.15 0.02 -0.32 0.00 0.07 0.00 0.00 56.30 56.22 1rl8 h ASN 88 Cb 0.21 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 36.35 1rl8 h ASN 88 CO -0.03 0.21 -2.28 0.18 0.07 0.00 0.00 177.43 175.57 1rl8 n LEU 89 N -4.48 0.08 -0.03 6.14 4.32 -0.70 -4.19 117.00 118.14 1rl8 n LEU 89 Ca 0.14 0.04 -0.02 0.00 -0.02 0.00 0.00 56.01 56.15 1rl8 n LEU 89 Cb 0.52 0.42 0.24 0.00 -1.62 0.00 0.00 43.42 42.98 1rl8 n LEU 89 CO 0.33 0.44 0.89 -0.07 -1.22 0.00 0.00 177.39 177.75 1rl8 h LEU 90 N 0.00 0.57 -0.87 2.23 3.38 -0.94 -2.12 115.31 117.56 1rl8 h LEU 90 Ca -0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 1rl8 h LEU 90 Cb 2.10 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 1rl8 h LEU 90 CO 0.03 0.67 0.49 0.71 0.09 0.00 0.00 178.44 180.43 1rl8 h THR 91 N 0.56 1.25 -0.78 0.22 1.35 -1.48 -1.58 112.91 112.45 1rl8 h THR 91 Ca 0.11 -0.61 0.02 0.00 -0.55 0.00 0.00 66.41 65.39 1rl8 h THR 91 Cb 0.42 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 66.86 1rl8 h THR 91 CO 0.02 0.28 0.52 1.56 -0.25 0.00 0.00 175.52 177.64 1rl8 h GLN 92 N 1.22 0.97 -0.44 4.72 4.20 -1.55 -0.40 115.11 123.83 1rl8 h GLN 92 Ca 0.31 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1rl8 h GLN 92 Cb 0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1rl8 h GLN 92 CO -0.05 0.64 0.00 0.44 -0.67 0.00 0.00 178.83 179.19 1rl8 n ILE 93 N -4.44 0.63 -2.29 2.54 -5.35 -1.13 -4.91 119.36 104.41 1rl8 n ILE 93 Ca 0.10 -0.56 -0.11 0.00 -0.27 0.00 0.00 62.75 61.91 1rl8 n ILE 93 Cb 0.08 0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 38.19 1rl8 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rl8 n GLY 94 N 1.07 -0.05 3.74 3.28 0.00 -0.16 -5.00 105.19 108.06 1rl8 n GLY 94 Ca 0.14 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1rl8 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rl8 s THR 96 N 0.04 1.08 -0.09 0.00 -4.23 -1.26 -4.74 115.64 106.44 1rl8 s THR 96 Ca 0.53 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1rl8 s THR 96 Cb -0.32 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 1rl8 s THR 96 CO 0.36 -0.49 0.24 -0.76 -0.54 0.00 0.00 174.62 173.43 1rl8 s LEU 97 N -2.40 4.39 -0.02 4.79 1.43 -1.26 -5.05 118.68 120.57 1rl8 s LEU 97 Ca 0.06 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1rl8 s LEU 97 Cb -0.04 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1rl8 s LEU 97 CO 0.01 0.34 0.02 0.20 0.23 0.00 0.00 176.35 177.15 1rl8 s ASN 98 N -0.81 0.10 0.00 2.29 0.01 -1.26 -5.27 114.94 110.00 1rl8 s ASN 98 Ca 0.18 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 1rl8 s ASN 98 Cb -0.14 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1rl8 s ASN 98 CO 0.07 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.77