#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8k s GLN 2 N 0.00 0.91 0.09 0.54 0.74 -1.26 -5.11 119.66 115.56 1a8k s GLN 2 Ca 0.00 -1.27 -0.23 0.00 0.05 0.00 0.00 55.36 53.91 1a8k s GLN 2 Cb 0.00 -2.30 -0.07 0.00 1.10 0.00 0.00 33.01 31.75 1a8k s GLN 2 CO 0.00 -0.97 0.68 0.42 -0.55 0.00 0.00 175.29 174.87 1a8k s ILE 3 N 1.44 4.64 0.17 -2.34 1.01 -1.26 -5.08 121.20 119.78 1a8k s ILE 3 Ca 0.10 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.24 1a8k s ILE 3 Cb -0.18 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1a8k s ILE 3 CO -0.21 0.49 0.31 0.42 0.00 0.00 0.00 174.94 175.95 1a8k s THR 4 N -0.77 5.30 -1.74 2.92 -4.23 -1.26 -5.01 115.64 110.85 1a8k s THR 4 Ca 0.33 -0.70 0.13 0.00 -1.18 0.00 0.00 61.69 60.27 1a8k s THR 4 Cb -0.21 -3.76 0.41 0.00 1.34 0.00 0.00 72.50 70.28 1a8k s THR 4 CO 0.22 -0.15 1.31 0.18 -0.54 0.00 0.00 174.62 175.64 1a8k n LEU 5 N -0.73 2.64 -0.08 4.79 4.32 -1.26 -4.34 117.00 122.35 1a8k n LEU 5 Ca -0.07 -1.33 -0.02 0.00 -0.02 0.00 0.00 56.01 54.57 1a8k n LEU 5 Cb 0.54 -0.35 0.22 0.00 -1.62 0.00 0.00 43.42 42.21 1a8k n LEU 5 CO 0.48 0.57 0.94 -0.50 -1.22 0.00 0.00 177.39 177.66 1a8k h TRP 6 N 2.56 0.73 -1.30 -1.77 4.06 -2.05 -3.42 115.95 114.76 1a8k h TRP 6 Ca 0.00 -0.08 -0.59 0.00 2.06 0.00 0.00 58.89 60.28 1a8k h TRP 6 Cb 0.74 -0.21 -0.09 0.00 -1.00 0.00 0.00 29.16 28.60 1a8k h TRP 6 CO 0.36 0.66 -0.48 -1.59 -3.56 0.00 0.00 178.44 173.83 1a8k s LYS 7 N -5.07 2.20 0.22 0.49 -2.85 -1.26 -5.09 119.74 108.38 1a8k s LYS 7 Ca -0.09 -1.97 -0.30 0.00 -1.00 0.00 0.00 55.97 52.61 1a8k s LYS 7 Cb 0.15 -1.90 -0.08 0.00 -2.06 0.00 0.00 37.83 33.94 1a8k s LYS 7 CO 0.79 -0.21 1.09 1.03 0.10 0.00 0.00 175.35 178.15 1a8k s ARG 8 N -3.93 4.63 -0.60 1.78 0.52 -1.26 -4.91 118.95 115.18 1a8k s ARG 8 Ca 0.35 1.74 -0.15 0.00 -0.52 0.00 0.00 55.73 57.15 1a8k s ARG 8 Cb 0.03 -3.24 -0.13 0.00 0.52 0.00 0.00 34.95 32.13 1a8k s ARG 8 CO 0.19 0.15 1.80 -0.35 0.02 0.00 0.00 175.30 177.12 1a8k n PRO 9 N 1.88 1.26 -3.15 3.54 -0.04 -1.26 -4.95 135.00 132.28 1a8k n PRO 9 Ca 0.01 -1.40 -0.37 0.00 -0.04 0.00 0.00 63.50 61.70 1a8k n PRO 9 Cb 0.46 -2.57 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 1a8k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a8k s LEU 10 N 0.49 4.41 0.00 1.53 2.01 -1.26 -1.14 118.68 124.72 1a8k s LEU 10 Ca 0.45 1.37 -0.01 0.00 0.01 0.00 0.00 54.13 55.95 1a8k s LEU 10 Cb 0.11 -3.39 0.00 0.00 0.01 0.00 0.00 46.19 42.93 1a8k s LEU 10 CO 0.09 0.11 0.44 1.33 1.01 0.00 0.00 176.35 179.33 1a8k n VAL 11 N 1.01 0.00 -4.47 -1.59 0.24 -0.10 -4.96 118.33 108.47 1a8k n VAL 11 Ca -0.04 -1.74 -0.33 0.00 -2.04 0.00 0.00 64.34 60.19 1a8k n VAL 11 Cb 0.51 1.05 -0.16 0.00 -1.47 0.00 0.00 33.84 33.77 1a8k n VAL 11 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1a8k s THR 12 N -2.84 2.52 0.49 3.34 -1.32 -1.25 -0.81 115.64 115.77 1a8k s THR 12 Ca 0.28 -0.81 0.06 0.00 -1.21 0.00 0.00 61.69 60.00 1a8k s THR 12 Cb -0.01 -2.06 -0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1a8k s THR 12 CO 0.20 0.52 0.28 0.27 -2.21 0.00 0.00 174.62 173.69 1a8k s ILE 13 N 0.92 1.88 -0.21 5.08 -4.36 0.16 -2.68 121.20 121.98 1a8k s ILE 13 Ca -0.04 -1.60 -0.03 0.00 -0.26 0.00 0.00 60.65 58.73 1a8k s ILE 13 Cb -0.15 -2.48 0.07 0.00 1.25 0.00 0.00 42.46 41.15 1a8k s ILE 13 CO -0.02 0.00 0.05 -0.75 0.24 0.00 0.00 174.94 174.45 1a8k s LYS 14 N -4.10 0.66 -0.02 0.37 2.36 -1.24 -1.37 119.74 116.40 1a8k s LYS 14 Ca 0.34 -0.52 0.05 0.00 -2.55 0.00 0.00 55.97 53.29 1a8k s LYS 14 Cb -0.00 -2.07 -0.03 0.00 -1.05 0.00 0.00 37.83 34.68 1a8k s LYS 14 CO 0.20 -0.70 -0.15 0.42 1.55 0.00 0.00 175.35 176.67 1a8k s ILE 15 N 1.83 3.02 0.00 5.43 1.01 -0.29 -2.33 121.20 129.88 1a8k s ILE 15 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1a8k s ILE 15 Cb -0.17 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1a8k s ILE 15 CO -0.11 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1a8k n GLY 16 N 2.02 3.35 0.04 6.18 0.00 -1.26 -1.49 105.19 114.03 1a8k n GLY 16 Ca -0.17 0.25 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1a8k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8k n GLY 17 N 0.00 -0.69 3.80 -0.02 0.00 -1.26 -5.01 105.19 102.01 1a8k n GLY 17 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 1a8k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a8k s GLN 18 N -2.72 3.77 -0.05 1.61 -1.52 -0.55 -5.06 119.66 115.13 1a8k s GLN 18 Ca -0.06 1.27 -0.00 0.00 -1.95 0.00 0.00 55.36 54.62 1a8k s GLN 18 Cb 0.07 -2.10 -0.03 0.00 -0.22 0.00 0.00 33.01 30.73 1a8k s GLN 18 CO 0.61 -0.45 -0.00 -0.51 -0.25 0.00 0.00 175.29 174.69 1a8k s LEU 19 N -3.69 3.52 0.29 2.90 1.02 -1.26 -1.13 118.68 120.33 1a8k s LEU 19 Ca 0.65 0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.86 1a8k s LEU 19 Cb -0.15 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 1a8k s LEU 19 CO 0.23 0.34 0.37 -0.54 0.02 0.00 0.00 176.35 176.77 1a8k s LYS 20 N -1.11 1.66 -0.27 1.70 1.02 -0.47 -4.97 119.74 117.30 1a8k s LYS 20 Ca 0.15 -1.68 -0.01 0.00 0.02 0.00 0.00 55.97 54.45 1a8k s LYS 20 Cb -0.11 0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1a8k s LYS 20 CO 0.05 -0.65 -0.04 -2.00 -0.92 0.00 0.00 175.35 171.78 1a8k s GLU 21 N -3.55 2.66 0.32 1.68 2.12 -1.25 0.39 118.70 121.07 1a8k s GLU 21 Ca 0.33 -1.10 0.09 0.00 0.36 0.00 0.00 54.97 54.65 1a8k s GLU 21 Cb 0.02 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1a8k s GLU 21 CO 0.18 -0.48 0.03 0.00 -0.54 0.00 0.00 175.26 174.44 1a8k s ALA 22 N 1.29 3.24 -0.30 6.30 0.00 0.01 -4.33 121.76 127.96 1a8k s ALA 22 Ca -0.02 -1.84 -0.11 0.00 0.00 0.00 0.00 51.96 49.99 1a8k s ALA 22 Cb -0.18 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1a8k s ALA 22 CO -0.03 0.12 0.19 -1.17 0.00 0.00 0.00 175.76 174.87 1a8k s LEU 23 N -3.73 4.16 -0.38 0.00 2.96 0.26 -0.92 118.68 121.03 1a8k s LEU 23 Ca 0.34 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.73 1a8k s LEU 23 Cb -0.03 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 1a8k s LEU 23 CO 0.20 -0.14 2.18 -0.76 -1.32 0.00 0.00 176.35 176.51 1a8k s LEU 24 N 1.71 3.42 -0.18 -0.68 1.02 -0.29 0.52 118.68 124.20 1a8k s LEU 24 Ca 0.06 1.33 -0.02 0.00 0.02 0.00 0.00 54.13 55.52 1a8k s LEU 24 Cb -0.17 -3.04 -0.01 0.00 0.02 0.00 0.00 46.19 42.99 1a8k s LEU 24 CO 0.09 -2.30 -0.08 -0.62 0.02 0.00 0.00 176.35 173.46 1a8k s ASP 25 N 9.31 4.17 0.20 2.29 -1.08 0.37 -4.83 116.67 127.10 1a8k s ASP 25 Ca 0.92 -0.36 0.22 0.00 -0.52 0.00 0.00 52.55 52.82 1a8k s ASP 25 Cb -0.23 -1.68 -0.00 0.00 -1.46 0.00 0.00 42.92 39.54 1a8k s ASP 25 CO 0.30 0.07 1.04 0.74 0.52 0.00 0.00 175.17 177.84 1a8k h THR 26 N 5.56 0.03 -0.85 1.71 2.02 -1.91 -3.27 112.91 116.20 1a8k h THR 26 Ca -0.35 -1.05 -0.51 0.00 0.77 0.00 0.00 66.41 65.27 1a8k h THR 26 Cb 1.18 1.54 -0.28 0.00 -1.74 0.00 0.00 68.15 68.85 1a8k h THR 26 CO 0.59 0.02 0.46 0.61 0.37 0.00 0.00 175.52 177.57 1a8k n GLY 27 N 1.19 5.19 2.95 2.16 0.00 -1.26 -4.79 105.19 110.63 1a8k n GLY 27 Ca -0.00 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1a8k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8k s ALA 28 N -3.49 1.50 0.12 4.61 0.00 -1.23 -5.01 121.76 118.26 1a8k s ALA 28 Ca 0.57 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1a8k s ALA 28 Cb 0.47 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 1a8k s ALA 28 CO 0.04 -0.37 1.37 -0.44 0.00 0.00 0.00 175.76 176.36 1a8k h ASP 29 N 8.06 0.91 -1.71 0.00 3.32 -1.90 -1.40 116.42 123.70 1a8k h ASP 29 Ca -0.33 -0.55 -0.56 0.00 0.02 0.00 0.00 57.03 55.62 1a8k h ASP 29 Cb 1.14 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 1a8k h ASP 29 CO 0.45 1.34 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.98 1a8k s ASP 30 N -7.03 4.50 -0.30 6.45 1.01 -1.26 -3.24 116.67 116.80 1a8k s ASP 30 Ca -0.10 -0.96 -0.11 0.00 0.71 0.00 0.00 52.55 52.09 1a8k s ASP 30 Cb 0.09 -0.56 -0.03 0.00 1.01 0.00 0.00 42.92 43.43 1a8k s ASP 30 CO 0.89 -0.44 0.19 -0.89 0.21 0.00 0.00 175.17 175.13 1a8k s THR 31 N -2.53 5.07 -0.23 -1.27 2.01 -1.26 -3.82 115.64 113.61 1a8k s THR 31 Ca 0.40 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 1a8k s THR 31 Cb 0.01 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1a8k s THR 31 CO 0.22 0.13 -0.06 0.54 -0.69 0.00 0.00 174.62 174.77 1a8k s VAL 32 N 1.71 3.13 -0.10 3.82 0.11 -1.03 0.10 120.40 128.14 1a8k s VAL 32 Ca 0.06 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.39 1a8k s VAL 32 Cb -0.17 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.18 1a8k s VAL 32 CO 0.09 0.36 0.05 -0.63 -3.33 0.00 0.00 175.10 171.64 1a8k s ILE 33 N 1.42 4.72 0.54 7.04 1.09 0.45 -1.25 121.20 135.20 1a8k s ILE 33 Ca 0.04 -0.09 -0.21 0.00 -1.10 0.00 0.00 60.65 59.29 1a8k s ILE 33 Cb -0.15 -3.01 -0.06 0.00 -1.06 0.00 0.00 42.46 38.18 1a8k s ILE 33 CO -0.04 0.60 1.14 1.21 -0.10 0.00 0.00 174.94 177.75 1a8k n GLU 34 N 2.15 1.34 -1.51 2.79 0.00 -1.25 -1.68 120.64 122.48 1a8k n GLU 34 Ca -0.19 0.50 -0.54 0.00 0.00 0.00 0.00 57.16 56.93 1a8k n GLU 34 Cb 0.54 -2.31 -0.06 0.00 0.00 0.00 0.00 31.44 29.61 1a8k n GLU 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1a8k n GLU 35 N -0.74 0.39 -3.59 5.31 -0.58 -1.17 -4.61 120.64 115.65 1a8k n GLU 35 Ca 0.11 0.14 -0.02 0.00 -0.42 0.00 0.00 57.16 56.98 1a8k n GLU 35 Cb 0.44 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.68 1a8k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a8k s MET 36 N -0.19 0.38 -1.09 3.49 0.23 -1.26 -5.00 119.30 115.85 1a8k s MET 36 Ca 0.82 0.72 -0.21 0.00 -1.03 0.00 0.00 55.69 55.98 1a8k s MET 36 Cb -1.08 0.18 -0.08 0.00 -1.53 0.00 0.00 34.83 32.32 1a8k s MET 36 CO 0.54 -0.09 1.93 -1.13 -2.03 0.00 0.00 175.02 174.24 1a8k n SER 37 N 4.05 3.25 -4.71 -1.18 3.41 -1.26 -4.95 113.62 112.23 1a8k n SER 37 Ca -0.16 -2.74 -0.42 0.00 -0.26 0.00 0.00 58.87 55.29 1a8k n SER 37 Cb 0.56 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 1a8k n SER 37 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1a8k s LEU 38 N 5.79 4.36 0.94 1.04 1.43 -1.26 -4.99 118.68 125.99 1a8k s LEU 38 Ca 0.60 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.83 1a8k s LEU 38 Cb 0.07 -3.58 0.16 0.00 0.03 0.00 0.00 46.19 42.86 1a8k s LEU 38 CO 0.10 -0.64 1.09 -2.16 0.23 0.00 0.00 176.35 174.97 1a8k s PRO 39 N 1.36 0.89 0.00 1.29 0.04 -1.26 -4.93 135.00 132.39 1a8k s PRO 39 Ca 0.64 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1a8k s PRO 39 Cb -0.35 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1a8k s PRO 39 CO 0.29 -2.50 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1a8k n GLY 40 N -0.81 1.59 3.97 0.56 0.00 -1.26 -5.07 105.19 104.17 1a8k n GLY 40 Ca 0.07 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 1a8k n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8k s ARG 41 N -1.36 2.75 0.35 1.61 1.81 -1.26 -5.11 118.95 117.75 1a8k s ARG 41 Ca 0.00 -0.75 -0.17 0.00 -1.72 0.00 0.00 55.73 53.09 1a8k s ARG 41 Cb 0.00 -2.55 0.06 0.00 -0.45 0.00 0.00 34.95 32.00 1a8k s ARG 41 CO 0.00 -0.50 0.82 1.67 -0.68 0.00 0.00 175.30 176.61 1a8k s TRP 42 N -2.63 0.09 -0.00 -0.53 1.48 -1.26 -4.82 118.94 111.27 1a8k s TRP 42 Ca 0.54 -0.72 -0.15 0.00 -1.06 0.00 0.00 56.10 54.71 1a8k s TRP 42 Cb -0.10 0.82 0.02 0.00 -1.16 0.00 0.00 33.47 33.05 1a8k s TRP 42 CO 0.37 -1.47 0.32 -1.59 -4.06 0.00 0.00 176.95 170.52 1a8k s LYS 43 N -2.40 0.71 0.24 3.25 -2.85 -1.23 -4.92 119.74 112.55 1a8k s LYS 43 Ca 0.16 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.57 1a8k s LYS 43 Cb -0.05 0.32 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 1a8k s LYS 43 CO 0.10 -0.21 1.20 -1.25 0.10 0.00 0.00 175.35 175.29 1a8k s PRO 44 N -1.64 4.51 -0.12 1.78 0.04 -1.26 0.59 135.00 138.90 1a8k s PRO 44 Ca -0.11 1.93 -0.24 0.00 0.04 0.00 0.00 61.00 62.61 1a8k s PRO 44 Cb -0.04 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.36 1a8k s PRO 44 CO 0.02 -0.03 0.58 0.21 0.04 0.00 0.00 177.00 177.83 1a8k s LYS 45 N -0.85 0.84 -0.16 4.56 2.20 0.13 -4.86 119.74 121.59 1a8k s LYS 45 Ca 0.50 0.43 -0.06 0.00 -0.36 0.00 0.00 55.97 56.48 1a8k s LYS 45 Cb -0.34 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.34 1a8k s LYS 45 CO 0.41 -0.20 0.02 -1.64 -0.36 0.00 0.00 175.35 173.58 1a8k s MET 46 N -0.57 3.78 0.04 4.03 -1.94 -1.26 0.84 119.30 124.22 1a8k s MET 46 Ca -0.07 -0.41 0.07 0.00 -1.71 0.00 0.00 55.69 53.58 1a8k s MET 46 Cb -0.03 -3.07 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 1a8k s MET 46 CO 0.05 0.31 -0.21 0.96 -0.01 0.00 0.00 175.02 176.11 1a8k s ILE 47 N 0.24 1.71 0.26 2.53 -5.25 -0.02 -4.91 121.20 115.76 1a8k s ILE 47 Ca 0.01 -1.18 0.00 0.00 -0.99 0.00 0.00 60.65 58.50 1a8k s ILE 47 Cb -0.13 -1.47 0.00 0.00 2.95 0.00 0.00 42.46 43.81 1a8k s ILE 47 CO 0.01 0.25 0.03 0.61 -1.79 0.00 0.00 174.94 174.06 1a8k n GLY 48 N 1.93 3.72 0.00 6.27 0.00 -1.26 0.28 105.19 116.13 1a8k n GLY 48 Ca -0.17 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.57 1a8k n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8k n GLY 49 N 1.85 0.86 3.67 -0.02 0.00 0.33 -4.89 105.19 106.99 1a8k n GLY 49 Ca -0.09 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1a8k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a8k s ILE 50 N -1.87 4.02 0.00 -0.61 1.01 -1.26 -3.03 121.20 119.47 1a8k s ILE 50 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1a8k s ILE 50 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1a8k s ILE 50 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1a8k n GLY 51 N 3.68 2.98 0.00 6.18 0.00 -1.26 -4.99 105.19 111.79 1a8k n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1a8k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8k n GLY 52 N -1.19 0.85 3.77 -0.02 0.00 -1.17 -5.11 105.19 102.33 1a8k n GLY 52 Ca 0.00 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1a8k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8k s PHE 53 N -1.94 3.06 0.12 1.61 0.40 -1.26 -0.51 117.98 119.46 1a8k s PHE 53 Ca 0.00 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1a8k s PHE 53 Cb 0.00 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1a8k s PHE 53 CO 0.00 0.52 -0.12 0.96 0.70 0.00 0.00 175.22 177.29 1a8k s ILE 54 N -1.80 1.15 -0.05 0.64 -4.36 0.14 -4.93 121.20 111.99 1a8k s ILE 54 Ca 0.30 -1.75 -0.13 0.00 -0.26 0.00 0.00 60.65 58.81 1a8k s ILE 54 Cb -0.10 -1.52 -0.05 0.00 1.25 0.00 0.00 42.46 42.04 1a8k s ILE 54 CO 0.22 -0.54 0.33 -0.75 0.24 0.00 0.00 174.94 174.45 1a8k s LYS 55 N -2.93 3.85 0.15 0.37 2.20 -1.26 -0.84 119.74 121.29 1a8k s LYS 55 Ca 0.09 0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.90 1a8k s LYS 55 Cb -0.03 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1a8k s LYS 55 CO 0.01 0.65 0.18 0.14 -0.36 0.00 0.00 175.35 175.98 1a8k s VAL 56 N -0.85 0.08 -0.12 4.02 -7.23 0.25 -4.67 120.40 111.87 1a8k s VAL 56 Ca 0.21 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.70 1a8k s VAL 56 Cb -0.15 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1a8k s VAL 56 CO 0.10 -0.36 0.06 -0.13 -0.31 0.00 0.00 175.10 174.46 1a8k s ARG 57 N -4.01 3.36 0.01 4.82 0.52 -1.03 0.17 118.95 122.80 1a8k s ARG 57 Ca 0.21 -0.30 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1a8k s ARG 57 Cb 0.05 -3.02 -0.06 0.00 0.52 0.00 0.00 34.95 32.44 1a8k s ARG 57 CO 0.01 0.63 0.60 -1.14 0.02 0.00 0.00 175.30 175.43 1a8k s GLN 58 N -0.66 4.31 -0.07 3.54 0.74 0.20 -2.28 119.66 125.45 1a8k s GLN 58 Ca 0.12 0.75 0.05 0.00 0.05 0.00 0.00 55.36 56.33 1a8k s GLN 58 Cb -0.12 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 1a8k s GLN 58 CO 0.02 0.40 -0.23 0.71 -0.55 0.00 0.00 175.29 175.64 1a8k s TYR 59 N -0.29 2.51 0.16 1.67 2.02 0.18 -3.53 117.35 120.07 1a8k s TYR 59 Ca 0.31 -0.74 0.06 0.00 -0.37 0.00 0.00 57.07 56.33 1a8k s TYR 59 Cb -0.18 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1a8k s TYR 59 CO 0.18 -0.23 0.04 -0.51 -1.57 0.00 0.00 175.55 173.46 1a8k s ASP 60 N -0.06 5.06 -1.64 2.29 1.11 -1.26 -0.13 116.67 122.04 1a8k s ASP 60 Ca -0.06 -0.27 -0.03 0.00 0.18 0.00 0.00 52.55 52.37 1a8k s ASP 60 Cb -0.15 -1.19 0.00 0.00 1.07 0.00 0.00 42.92 42.66 1a8k s ASP 60 CO 0.05 0.10 0.33 0.00 1.18 0.00 0.00 175.17 176.83 1a8k n GLN 61 N -0.07 -3.45 -3.02 8.23 6.02 0.61 -4.87 117.38 120.84 1a8k n GLN 61 Ca -0.09 0.94 -0.39 0.00 -0.01 0.00 0.00 57.00 57.44 1a8k n GLN 61 Cb 0.54 -5.71 -0.06 0.00 1.02 0.00 0.00 30.24 26.04 1a8k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a8k s ILE 62 N -3.10 4.54 -0.10 5.09 -1.09 0.39 -4.63 121.20 122.30 1a8k s ILE 62 Ca 0.17 1.62 -0.19 0.00 -2.23 0.00 0.00 60.65 60.03 1a8k s ILE 62 Cb -0.08 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1a8k s ILE 62 CO 0.21 0.47 0.50 -0.63 -1.23 0.00 0.00 174.94 174.26 1a8k s ILE 63 N -0.76 5.14 -0.05 2.92 -1.09 -1.26 -0.86 121.20 125.24 1a8k s ILE 63 Ca 0.36 1.01 0.03 0.00 -2.23 0.00 0.00 60.65 59.82 1a8k s ILE 63 Cb -0.22 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1a8k s ILE 63 CO 0.24 0.34 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.54 1a8k s ILE 64 N 0.46 1.12 -0.73 2.92 1.01 -1.21 -4.11 121.20 120.66 1a8k s ILE 64 Ca 0.27 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1a8k s ILE 64 Cb -0.16 -1.00 0.20 0.00 0.01 0.00 0.00 42.46 41.52 1a8k s ILE 64 CO 0.12 0.34 0.63 1.21 0.00 0.00 0.00 174.94 177.24 1a8k n GLU 65 N 3.52 2.21 -1.56 2.79 2.13 -0.98 -1.23 120.64 127.51 1a8k n GLU 65 Ca -0.21 -4.54 -0.39 0.00 0.66 0.00 0.00 57.16 52.68 1a8k n GLU 65 Cb 0.53 -2.31 -0.04 0.00 0.27 0.00 0.00 31.44 29.89 1a8k n GLU 65 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1a8k n ILE 66 N 1.69 0.06 -3.33 6.31 3.06 -0.66 -3.65 119.36 122.84 1a8k n ILE 66 Ca 0.23 -0.64 -0.26 0.00 -2.50 0.00 0.00 62.75 59.58 1a8k n ILE 66 Cb 0.37 -2.59 0.02 0.00 0.54 0.00 0.00 39.64 37.97 1a8k n ILE 66 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a8k n GLY 68 N -0.84 0.12 3.05 0.00 0.00 -1.24 -4.90 105.19 101.39 1a8k n GLY 68 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1a8k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a8k s HIS 69 N -1.31 3.61 -0.06 1.61 4.02 -0.96 -5.08 115.29 117.13 1a8k s HIS 69 Ca 0.00 -2.72 -0.23 0.00 1.02 0.00 0.00 55.06 53.13 1a8k s HIS 69 Cb 0.00 -2.72 -0.04 0.00 -1.02 0.00 0.00 32.58 28.80 1a8k s HIS 69 CO 0.00 -0.93 0.70 -1.59 1.02 0.00 0.00 174.74 173.94 1a8k s LYS 70 N 1.00 4.44 0.53 1.40 -2.85 -1.26 -1.66 119.74 121.34 1a8k s LYS 70 Ca 0.06 0.88 0.02 0.00 -1.00 0.00 0.00 55.97 55.93 1a8k s LYS 70 Cb -0.20 -3.44 0.01 0.00 -2.06 0.00 0.00 37.83 32.14 1a8k s LYS 70 CO -0.06 0.09 0.11 0.00 0.10 0.00 0.00 175.35 175.59 1a8k s ALA 71 N 0.70 4.30 -0.26 0.59 0.00 -0.37 -4.88 121.76 121.86 1a8k s ALA 71 Ca 0.37 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 1a8k s ALA 71 Cb -0.18 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 22.83 1a8k s ALA 71 CO 0.18 -0.13 0.64 -1.50 0.00 0.00 0.00 175.76 174.95 1a8k s ILE 72 N -2.87 -0.00 -0.69 0.00 2.07 -1.26 -3.32 121.20 115.12 1a8k s ILE 72 Ca 0.10 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1a8k s ILE 72 Cb -0.00 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1a8k s ILE 72 CO 0.06 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1a8k n GLY 73 N 3.98 -0.75 3.69 1.50 0.00 -0.04 -4.86 105.19 108.71 1a8k n GLY 73 Ca -0.19 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1a8k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8k s THR 74 N -3.90 5.33 -0.10 2.61 2.01 -1.26 -0.29 115.64 120.05 1a8k s THR 74 Ca 0.00 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1a8k s THR 74 Cb 0.00 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.07 1a8k s THR 74 CO 0.00 0.40 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.49 1a8k s VAL 75 N 0.65 1.49 -0.12 3.82 1.01 0.82 -4.39 120.40 123.68 1a8k s VAL 75 Ca 0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1a8k s VAL 75 Cb -0.12 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1a8k s VAL 75 CO 0.01 0.44 0.38 -0.76 0.00 0.00 0.00 175.10 175.17 1a8k s LEU 76 N 0.83 4.30 -0.21 3.92 1.43 0.11 -0.64 118.68 128.42 1a8k s LEU 76 Ca -0.10 0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1a8k s LEU 76 Cb -0.16 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 1a8k s LEU 76 CO 0.01 0.11 -0.08 -0.69 0.23 0.00 0.00 176.35 175.93 1a8k s VAL 77 N 0.23 3.07 -0.04 -1.59 1.01 -0.96 0.17 120.40 122.28 1a8k s VAL 77 Ca 0.21 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 1a8k s VAL 77 Cb -0.14 -2.38 0.12 0.00 0.00 0.00 0.00 36.38 33.98 1a8k s VAL 77 CO 0.08 0.45 1.33 -0.83 0.00 0.00 0.00 175.10 176.13 1a8k s GLY 78 N 1.42 -0.35 -0.09 4.51 0.00 -0.68 -2.46 107.32 109.67 1a8k s GLY 78 Ca 0.05 0.55 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 1a8k s GLY 78 CO -0.05 2.05 1.03 -1.55 0.00 0.00 0.00 173.10 174.58 1a8k n PRO 79 N -0.64 0.28 -3.42 2.90 -0.04 -1.26 -3.05 135.00 129.78 1a8k n PRO 79 Ca -0.05 -0.43 -0.38 0.00 -0.04 0.00 0.00 63.50 62.60 1a8k n PRO 79 Cb 0.62 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1a8k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1a8k s THR 80 N 3.97 5.05 0.56 0.52 -1.32 -1.26 -4.99 115.64 118.17 1a8k s THR 80 Ca 0.06 0.91 0.25 0.00 -1.21 0.00 0.00 61.69 61.70 1a8k s THR 80 Cb 0.02 -3.76 0.35 0.00 -1.51 0.00 0.00 72.50 67.60 1a8k s THR 80 CO -0.00 0.49 2.11 1.55 -2.21 0.00 0.00 174.62 176.56 1a8k h PRO 81 N 5.36 0.00 -3.50 7.08 0.13 -1.98 -3.43 132.00 135.67 1a8k h PRO 81 Ca -0.48 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 1a8k h PRO 81 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 1a8k h PRO 81 CO 0.66 0.00 -0.62 0.08 -0.23 0.00 0.00 178.00 177.89 1a8k s VAL 82 N -4.81 -0.01 -0.01 1.56 1.01 -1.26 -5.11 120.40 111.77 1a8k s VAL 82 Ca -0.05 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1a8k s VAL 82 Cb 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.34 1a8k s VAL 82 CO 0.61 0.01 1.61 0.20 0.00 0.00 0.00 175.10 177.53 1a8k s ASN 83 N 0.20 6.68 -0.21 3.32 0.01 -1.26 -4.80 114.94 118.87 1a8k s ASN 83 Ca -0.01 2.28 -0.04 0.00 -0.71 0.00 0.00 52.86 54.38 1a8k s ASN 83 Cb -0.02 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1a8k s ASN 83 CO -0.01 -0.88 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.04 1a8k s ILE 84 N 3.35 3.49 -0.41 0.60 1.01 -0.38 0.91 121.20 129.78 1a8k s ILE 84 Ca 0.72 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1a8k s ILE 84 Cb -0.35 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.55 1a8k s ILE 84 CO 0.30 0.42 0.35 -0.63 0.00 0.00 0.00 174.94 175.38 1a8k s ILE 85 N 1.37 5.19 0.49 2.92 -1.09 0.18 -2.45 121.20 127.81 1a8k s ILE 85 Ca 0.04 -0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.08 1a8k s ILE 85 Cb -0.14 -3.95 0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1a8k s ILE 85 CO -0.02 -0.32 0.67 -0.83 -1.23 0.00 0.00 174.94 173.21 1a8k s GLY 86 N 1.74 1.85 0.63 6.18 0.00 -1.25 0.14 107.32 116.60 1a8k s GLY 86 Ca 0.08 -1.88 0.26 0.00 0.00 0.00 0.00 44.72 43.19 1a8k s GLY 86 CO 0.12 -1.57 1.80 3.21 0.00 0.00 0.00 173.10 176.65 1a8k h ARG 87 N 0.42 0.00 0.00 2.90 3.08 -1.38 -0.39 114.38 119.01 1a8k h ARG 87 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1a8k h ARG 87 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1a8k h ARG 87 CO 0.43 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.60 1a8k n ASN 88 N -2.78 0.00 0.00 7.04 6.94 -1.20 -2.47 115.26 122.79 1a8k n ASN 88 Ca -0.02 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.86 1a8k n ASN 88 Cb 0.41 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1a8k n ASN 88 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1a8k n LEU 89 N -1.43 0.00 0.05 -4.53 4.32 -0.24 -4.67 117.00 110.51 1a8k n LEU 89 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1a8k n LEU 89 Cb 0.26 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.37 1a8k n LEU 89 CO 0.22 0.00 0.87 -0.07 -1.22 0.00 0.00 177.39 177.19 1a8k h LEU 90 N 0.00 0.38 -1.41 2.23 3.38 -1.34 -2.03 115.31 116.51 1a8k h LEU 90 Ca 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1a8k h LEU 90 Cb 0.74 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1a8k h LEU 90 CO 0.00 0.53 -0.28 0.71 0.09 0.00 0.00 178.44 179.49 1a8k h THR 91 N 0.37 0.94 0.00 0.22 1.35 -1.76 -1.15 112.91 112.88 1a8k h THR 91 Ca 0.07 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1a8k h THR 91 Cb 0.43 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1a8k h THR 91 CO 0.02 0.27 0.00 1.56 -0.25 0.00 0.00 175.52 177.13 1a8k h GLN 92 N 0.00 0.00 -0.32 4.72 4.20 -1.63 -2.38 115.11 119.70 1a8k h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a8k h GLN 92 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1a8k h GLN 92 CO 0.04 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.64 1a8k n ILE 93 N -2.51 0.92 -3.09 2.54 -5.35 -1.17 -4.88 119.36 105.81 1a8k n ILE 93 Ca 0.05 -0.96 -0.14 0.00 -0.27 0.00 0.00 62.75 61.43 1a8k n ILE 93 Cb 0.43 0.56 0.07 0.00 -1.74 0.00 0.00 39.64 38.95 1a8k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a8k n GLY 94 N 0.52 -0.67 3.72 3.28 0.00 -0.89 -4.98 105.19 106.15 1a8k n GLY 94 Ca 0.11 0.32 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 1a8k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8k s THR 96 N 0.59 2.02 -0.17 0.00 -4.23 -1.26 -4.71 115.64 107.89 1a8k s THR 96 Ca 0.18 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1a8k s THR 96 Cb -0.13 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1a8k s THR 96 CO 0.05 -0.11 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.65 1a8k s LEU 97 N -3.63 1.98 -0.08 4.79 2.96 -1.26 -5.10 118.68 118.34 1a8k s LEU 97 Ca 0.34 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1a8k s LEU 97 Cb 0.06 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.44 1a8k s LEU 97 CO 0.17 -0.05 -0.18 0.20 -1.32 0.00 0.00 176.35 175.17 1a8k s ASN 98 N 1.39 2.42 0.00 3.68 0.02 -1.26 -5.32 114.94 115.87 1a8k s ASN 98 Ca 0.04 -0.43 0.00 0.00 -1.02 0.00 0.00 52.86 51.45 1a8k s ASN 98 Cb -0.13 -1.11 0.00 0.00 0.02 0.00 0.00 41.25 40.02 1a8k s ASN 98 CO -0.11 0.09 0.28 2.22 0.02 0.00 0.00 177.10 179.60