#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bd9 n VAL 3 N 0.00 0.17 -3.36 0.52 0.24 -1.26 -4.89 118.33 109.76 1bd9 n VAL 3 Ca 0.00 -0.03 -0.45 0.00 -2.04 0.00 0.00 64.34 61.82 1bd9 n VAL 3 Cb 0.00 -0.98 -0.07 0.00 -1.47 0.00 0.00 33.84 31.32 1bd9 n VAL 3 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1bd9 s ASP 4 N -2.54 6.16 0.00 -1.34 2.15 -1.26 -4.78 116.67 115.06 1bd9 s ASP 4 Ca 0.67 -1.48 0.21 0.00 0.43 0.00 0.00 52.55 52.37 1bd9 s ASP 4 Cb -0.23 -2.20 0.91 0.00 -0.30 0.00 0.00 42.92 41.10 1bd9 s ASP 4 CO 0.58 -0.73 1.66 0.18 -0.17 0.00 0.00 175.17 176.69 1bd9 n LEU 5 N 5.24 0.00 0.30 -1.34 4.77 -1.26 -2.76 117.00 121.95 1bd9 n LEU 5 Ca -0.13 0.46 0.19 0.00 -0.03 0.00 0.00 56.01 56.50 1bd9 n LEU 5 Cb 0.42 -0.46 0.94 0.00 -2.33 0.00 0.00 43.42 42.00 1bd9 n LEU 5 CO 0.50 -0.14 1.08 0.77 -1.33 0.00 0.00 177.39 178.27 1bd9 h SER 6 N 0.00 0.00 0.00 -1.43 4.64 -1.98 -0.16 113.55 114.62 1bd9 h SER 6 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bd9 h SER 6 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1bd9 h SER 6 CO 0.00 0.01 -0.01 0.29 -0.87 0.00 0.00 176.83 176.25 1bd9 n LYS 7 N -3.14 1.50 -0.20 4.77 5.02 -1.11 -4.40 118.16 120.59 1bd9 n LYS 7 Ca -0.01 -0.75 -0.05 0.00 -2.02 0.00 0.00 58.31 55.48 1bd9 n LYS 7 Cb 0.19 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1bd9 n LYS 7 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1bd9 h TRP 8 N 1.84 -0.84 -0.63 2.13 2.91 -1.21 0.31 115.95 120.46 1bd9 h TRP 8 Ca 0.00 0.07 -0.25 0.00 1.13 0.00 0.00 58.89 59.84 1bd9 h TRP 8 Cb 0.40 0.46 -0.15 0.00 -0.51 0.00 0.00 29.16 29.36 1bd9 h TRP 8 CO 0.00 -0.37 0.32 0.43 -1.03 0.00 0.00 178.44 177.79 1bd9 n SER 9 N -5.44 3.89 -1.76 2.65 7.64 -1.26 -1.21 113.62 118.13 1bd9 n SER 9 Ca 0.05 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1bd9 n SER 9 Cb 0.35 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1bd9 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bd9 n GLY 10 N -0.30 1.12 0.37 0.23 0.00 0.10 -4.70 105.19 102.01 1bd9 n GLY 10 Ca 0.36 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.97 1bd9 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bd9 h PRO 11 N 0.00 0.42 0.00 1.61 0.13 -1.90 -0.04 132.00 132.22 1bd9 h PRO 11 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1bd9 h PRO 11 Cb 0.00 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.04 1bd9 h PRO 11 CO 0.00 0.27 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.95 1bd9 h LEU 12 N 0.43 0.00 -1.81 1.56 3.38 -1.84 -3.46 115.31 113.57 1bd9 h LEU 12 Ca 0.33 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.83 1bd9 h LEU 12 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1bd9 h LEU 12 CO -0.10 0.02 -0.86 -1.20 0.09 0.00 0.00 178.44 176.39 1bd9 n SER 13 N -3.29 -0.83 0.00 -0.43 7.64 -0.03 -4.84 113.62 111.85 1bd9 n SER 13 Ca -0.02 -0.94 0.09 0.00 1.01 0.00 0.00 58.87 59.02 1bd9 n SER 13 Cb 0.15 -3.41 0.41 0.00 -1.01 0.00 0.00 64.21 60.35 1bd9 n SER 13 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bd9 n LEU 14 N -4.37 0.00 0.06 -3.43 4.77 -0.35 -2.01 117.00 111.67 1bd9 n LEU 14 Ca -0.28 0.47 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1bd9 n LEU 14 Cb 0.67 -0.47 0.33 0.00 -2.33 0.00 0.00 43.42 41.62 1bd9 n LEU 14 CO 0.73 -0.17 0.73 0.00 -1.33 0.00 0.00 177.39 177.35 1bd9 n GLN 15 N -1.47 0.07 0.27 3.23 0.00 -1.25 -0.65 117.38 117.58 1bd9 n GLN 15 Ca 0.05 0.40 0.15 0.00 0.00 0.00 0.00 57.00 57.60 1bd9 n GLN 15 Cb 0.21 -1.66 0.75 0.00 0.00 0.00 0.00 30.24 29.54 1bd9 n GLN 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1bd9 h GLU 16 N 0.00 0.00 0.00 2.61 5.08 -1.77 -3.33 114.58 117.16 1bd9 h GLU 16 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1bd9 h GLU 16 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1bd9 h GLU 16 CO 0.00 0.08 -1.14 0.28 -1.00 0.00 0.00 179.01 177.23 1bd9 n VAL 17 N -3.35 1.50 -3.85 3.13 0.31 0.18 -5.05 118.33 111.20 1bd9 n VAL 17 Ca -0.01 0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1bd9 n VAL 17 Cb 0.26 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 30.87 1bd9 n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1bd9 s ASP 18 N -6.08 -0.24 0.71 4.52 -1.08 -1.09 -4.03 116.67 109.37 1bd9 s ASP 18 Ca -0.29 -0.62 -0.16 0.00 -0.52 0.00 0.00 52.55 50.96 1bd9 s ASP 18 Cb 0.05 0.67 0.03 0.00 -1.46 0.00 0.00 42.92 42.21 1bd9 s ASP 18 CO 0.42 -1.24 1.25 -1.61 0.52 0.00 0.00 175.17 174.51 1bd9 s GLU 19 N -3.92 2.22 0.20 4.34 2.02 -1.26 -3.83 118.70 118.45 1bd9 s GLU 19 Ca 0.13 1.90 -0.33 0.00 0.02 0.00 0.00 54.97 56.69 1bd9 s GLU 19 Cb -0.04 -1.83 -0.13 0.00 0.10 0.00 0.00 34.13 32.23 1bd9 s GLU 19 CO 0.05 -1.81 1.54 0.94 0.02 0.00 0.00 175.26 176.00 1bd9 n GLN 20 N -2.47 2.20 -1.38 1.61 7.27 -1.26 -4.51 117.38 118.85 1bd9 n GLN 20 Ca 0.15 0.79 -0.31 0.00 0.07 0.00 0.00 57.00 57.70 1bd9 n GLN 20 Cb 0.49 -2.54 0.09 0.00 2.41 0.00 0.00 30.24 30.69 1bd9 n GLN 20 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1bd9 s PRO 21 N 0.46 2.31 0.19 3.69 0.02 -1.26 -4.70 135.00 135.71 1bd9 s PRO 21 Ca 0.75 1.00 -0.08 0.00 0.02 0.00 0.00 61.00 62.68 1bd9 s PRO 21 Cb -0.65 -1.92 0.11 0.00 0.02 0.00 0.00 34.50 32.07 1bd9 s PRO 21 CO 0.41 -1.56 1.66 1.96 -0.33 0.00 0.00 177.00 179.15 1bd9 h GLN 22 N -1.06 1.05 -4.84 5.54 4.20 -1.26 -3.46 115.11 115.28 1bd9 h GLN 22 Ca -0.45 -0.32 -0.36 0.00 0.06 0.00 0.00 58.65 57.58 1bd9 h GLN 22 Cb 1.24 -0.10 -0.24 0.00 0.30 0.00 0.00 27.48 28.67 1bd9 h GLN 22 CO 0.54 1.02 -0.76 -1.01 -0.67 0.00 0.00 178.83 177.95 1bd9 s HIS 23 N -5.04 0.87 0.29 2.96 3.76 -0.43 -5.01 115.29 112.69 1bd9 s HIS 23 Ca -0.11 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.15 1bd9 s HIS 23 Cb 0.14 -0.52 -0.10 0.00 1.11 0.00 0.00 32.58 33.20 1bd9 s HIS 23 CO 0.85 -0.01 1.39 -1.25 -0.85 0.00 0.00 174.74 174.87 1bd9 s PRO 24 N -1.10 4.29 -0.18 8.40 0.04 -1.26 -2.07 135.00 143.12 1bd9 s PRO 24 Ca -0.02 2.29 -0.13 0.00 0.04 0.00 0.00 61.00 63.17 1bd9 s PRO 24 Cb -0.07 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 1bd9 s PRO 24 CO 0.01 -0.34 0.27 -1.17 0.04 0.00 0.00 177.00 175.81 1bd9 s LEU 25 N -1.03 4.20 -0.10 -3.56 2.96 -0.61 -4.44 118.68 116.11 1bd9 s LEU 25 Ca 0.55 0.42 -0.21 0.00 -0.22 0.00 0.00 54.13 54.67 1bd9 s LEU 25 Cb -0.41 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1bd9 s LEU 25 CO 0.48 0.07 0.59 -1.00 -1.32 0.00 0.00 176.35 175.17 1bd9 s HIS 26 N 0.70 3.53 -0.06 5.38 3.76 0.86 -4.65 115.29 124.81 1bd9 s HIS 26 Ca 0.15 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 1bd9 s HIS 26 Cb -0.13 -2.68 0.02 0.00 1.11 0.00 0.00 32.58 30.90 1bd9 s HIS 26 CO 0.04 0.11 -0.04 0.08 -0.85 0.00 0.00 174.74 174.08 1bd9 s VAL 27 N 0.79 0.58 -0.03 -0.90 1.01 -1.26 -2.08 120.40 118.51 1bd9 s VAL 27 Ca 0.31 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.28 1bd9 s VAL 27 Cb -0.16 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1bd9 s VAL 27 CO 0.14 0.26 -0.22 -0.89 0.00 0.00 0.00 175.10 174.40 1bd9 s THR 28 N 1.39 1.72 0.46 3.92 2.01 -0.59 -0.86 115.64 123.70 1bd9 s THR 28 Ca -0.03 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1bd9 s THR 28 Cb -0.13 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1bd9 s THR 28 CO -0.03 0.49 0.21 -0.31 -0.69 0.00 0.00 174.62 174.29 1bd9 s TYR 29 N -0.40 2.24 0.21 4.92 1.51 0.10 -0.33 117.35 125.62 1bd9 s TYR 29 Ca 0.05 -0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 55.30 1bd9 s TYR 29 Cb -0.09 -1.90 0.30 0.00 -0.11 0.00 0.00 41.96 40.16 1bd9 s TYR 29 CO 0.00 0.02 1.66 0.00 -1.11 0.00 0.00 175.55 176.13 1bd9 h ALA 30 N 1.24 0.62 -0.53 3.71 0.00 -1.87 -3.00 119.26 119.44 1bd9 h ALA 30 Ca -0.41 0.19 -0.37 0.00 0.00 0.00 0.00 54.91 54.31 1bd9 h ALA 30 Cb 1.28 0.32 -0.38 0.00 0.00 0.00 0.00 17.79 19.00 1bd9 h ALA 30 CO 0.67 -0.39 -0.92 0.41 0.00 0.00 0.00 179.25 179.03 1bd9 n GLY 31 N -1.36 4.27 3.46 0.00 0.00 -1.26 -5.07 105.19 105.23 1bd9 n GLY 31 Ca 0.09 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 1bd9 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bd9 s ALA 32 N -3.43 -1.71 -0.05 4.61 0.00 -1.13 -5.04 121.76 115.01 1bd9 s ALA 32 Ca 0.40 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.08 1bd9 s ALA 32 Cb 0.37 0.63 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1bd9 s ALA 32 CO -0.01 -0.72 0.13 0.00 0.00 0.00 0.00 175.76 175.17 1bd9 s ALA 33 N -3.37 -0.32 -1.19 0.00 0.00 -1.26 0.03 121.76 115.64 1bd9 s ALA 33 Ca 0.03 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1bd9 s ALA 33 Cb -0.01 -0.24 0.17 0.00 0.00 0.00 0.00 23.12 23.05 1bd9 s ALA 33 CO -0.10 -0.07 1.41 0.08 0.00 0.00 0.00 175.76 177.08 1bd9 s VAL 34 N 0.16 5.05 -0.23 0.00 1.01 -0.04 -4.75 120.40 121.61 1bd9 s VAL 34 Ca -0.01 -2.62 0.14 0.00 0.00 0.00 0.00 61.98 59.49 1bd9 s VAL 34 Cb -0.02 -4.90 0.73 0.00 0.00 0.00 0.00 36.38 32.19 1bd9 s VAL 34 CO -0.00 -1.60 1.66 -0.90 0.00 0.00 0.00 175.10 174.26 1bd9 n ASP 35 N 5.59 5.05 -3.70 3.32 5.75 -1.26 -4.48 116.55 126.81 1bd9 n ASP 35 Ca 0.36 -3.02 -0.11 0.00 -0.01 0.00 0.00 54.79 52.01 1bd9 n ASP 35 Cb 0.43 -0.65 -0.11 0.00 -1.03 0.00 0.00 41.12 39.76 1bd9 n ASP 35 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1bd9 s GLU 36 N -2.83 0.40 0.10 0.11 2.12 -1.26 -4.50 118.70 112.84 1bd9 s GLU 36 Ca 0.51 0.73 -0.31 0.00 0.36 0.00 0.00 54.97 56.26 1bd9 s GLU 36 Cb 0.40 0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.71 1bd9 s GLU 36 CO 0.13 -0.14 1.86 -1.17 -0.54 0.00 0.00 175.26 175.40 1bd9 s LEU 37 N 1.16 4.41 0.00 2.70 2.96 -1.26 -0.73 118.68 127.92 1bd9 s LEU 37 Ca -0.08 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 1bd9 s LEU 37 Cb -0.07 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1bd9 s LEU 37 CO -0.10 -1.01 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 1bd9 n GLY 38 N 4.31 0.65 3.54 7.98 0.00 0.15 -4.98 105.19 116.83 1bd9 n GLY 38 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 1bd9 n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bd9 n LYS 39 N -2.66 0.96 -2.90 1.61 4.81 0.10 -3.58 118.16 116.48 1bd9 n LYS 39 Ca 0.00 0.34 -0.41 0.00 -0.87 0.00 0.00 58.31 57.37 1bd9 n LYS 39 Cb 0.00 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.34 1bd9 n LYS 39 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1bd9 s VAL 40 N -0.74 4.92 0.30 3.15 1.01 -1.26 -0.35 120.40 127.42 1bd9 s VAL 40 Ca 0.65 1.64 0.04 0.00 0.00 0.00 0.00 61.98 64.32 1bd9 s VAL 40 Cb -0.82 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.37 1bd9 s VAL 40 CO 0.57 0.10 0.02 -0.76 0.00 0.00 0.00 175.10 175.02 1bd9 s LEU 41 N 1.69 2.27 0.22 3.92 1.43 0.11 -4.92 118.68 123.41 1bd9 s LEU 41 Ca 0.40 -1.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 1bd9 s LEU 41 Cb -0.17 -0.44 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1bd9 s LEU 41 CO 0.16 -0.52 0.35 0.42 0.23 0.00 0.00 176.35 176.99 1bd9 s THR 42 N -3.24 5.27 0.29 5.49 -4.23 -1.26 -4.21 115.64 113.75 1bd9 s THR 42 Ca 0.33 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1bd9 s THR 42 Cb 0.07 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1bd9 s THR 42 CO 0.13 -0.28 1.82 -0.65 -0.54 0.00 0.00 174.62 175.11 1bd9 h PRO 43 N 1.43 0.89 -0.80 3.99 0.11 -1.85 -0.13 132.00 135.63 1bd9 h PRO 43 Ca -0.51 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.59 1bd9 h PRO 43 Cb 1.22 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1bd9 h PRO 43 CO 0.63 0.59 0.51 1.15 -0.21 0.00 0.00 178.00 180.67 1bd9 h THR 44 N 0.92 1.10 -0.00 -1.15 2.02 -1.94 -1.80 112.91 112.06 1bd9 h THR 44 Ca 0.52 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 1bd9 h THR 44 Cb 0.62 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1bd9 h THR 44 CO -0.29 0.18 -0.19 1.56 0.37 0.00 0.00 175.52 177.15 1bd9 h GLN 45 N 0.97 0.00 -0.27 6.66 4.20 -1.41 -2.93 115.11 122.33 1bd9 h GLN 45 Ca 0.33 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 1bd9 h GLN 45 Cb 0.04 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1bd9 h GLN 45 CO -0.12 0.19 -0.02 1.33 -0.67 0.00 0.00 178.83 179.54 1bd9 n VAL 46 N -4.32 2.34 0.31 -0.54 0.24 -0.94 -4.65 118.33 110.78 1bd9 n VAL 46 Ca -0.02 -2.20 0.20 0.00 -2.04 0.00 0.00 64.34 60.27 1bd9 n VAL 46 Cb 0.25 -0.28 1.02 0.00 -1.47 0.00 0.00 33.84 33.36 1bd9 n VAL 46 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1bd9 h LYS 47 N 1.36 0.00 -6.36 7.34 2.10 -1.15 -3.40 116.57 116.46 1bd9 h LYS 47 Ca 0.08 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.10 1bd9 h LYS 47 Cb 1.48 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.66 1bd9 h LYS 47 CO 0.26 0.02 -0.78 -0.80 -2.00 0.00 0.00 179.45 176.15 1bd9 s ASN 48 N -5.52 3.58 0.68 7.07 0.01 -1.26 -4.43 114.94 115.06 1bd9 s ASN 48 Ca -0.04 -0.95 -0.17 0.00 -0.71 0.00 0.00 52.86 51.00 1bd9 s ASN 48 Cb 0.13 -0.31 -0.05 0.00 0.41 0.00 0.00 41.25 41.42 1bd9 s ASN 48 CO 0.48 0.07 0.55 0.54 -1.51 0.00 0.00 177.10 177.22 1bd9 n ARG 49 N -0.30 0.39 -1.77 -0.60 1.74 -1.26 -4.92 116.66 109.95 1bd9 n ARG 49 Ca -0.08 0.17 -0.38 0.00 -0.77 0.00 0.00 57.85 56.79 1bd9 n ARG 49 Cb 0.58 -1.81 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 1bd9 n ARG 49 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1bd9 s PRO 50 N -2.58 2.90 0.22 5.56 0.04 -1.26 -4.79 135.00 135.09 1bd9 s PRO 50 Ca 0.67 2.17 0.24 0.00 0.04 0.00 0.00 61.00 64.12 1bd9 s PRO 50 Cb -0.38 -2.09 0.42 0.00 0.04 0.00 0.00 34.50 32.49 1bd9 s PRO 50 CO 0.56 -1.35 1.46 1.79 0.04 0.00 0.00 177.00 179.50 1bd9 h THR 51 N 1.09 0.00 -1.76 1.26 1.35 -0.99 -3.47 112.91 110.39 1bd9 h THR 51 Ca -0.51 -0.66 0.10 0.00 -0.55 0.00 0.00 66.41 64.79 1bd9 h THR 51 Cb 1.32 1.42 -0.21 0.00 -1.73 0.00 0.00 68.15 68.95 1bd9 h THR 51 CO 0.56 0.00 0.54 -0.94 -0.25 0.00 0.00 175.52 175.43 1bd9 s SER 52 N -4.86 -0.36 0.02 5.36 1.04 -1.18 -5.03 113.70 108.69 1bd9 s SER 52 Ca 0.07 0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.77 1bd9 s SER 52 Cb 0.11 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1bd9 s SER 52 CO 0.69 -0.42 -0.03 0.27 0.98 0.00 0.00 173.24 174.74 1bd9 s ILE 53 N -1.73 0.10 0.16 -1.02 -4.36 -1.26 -1.53 121.20 111.55 1bd9 s ILE 53 Ca 0.01 -0.80 -0.23 0.00 -0.26 0.00 0.00 60.65 59.36 1bd9 s ILE 53 Cb -0.01 -0.23 0.07 0.00 1.25 0.00 0.00 42.46 43.54 1bd9 s ILE 53 CO -0.01 -0.44 0.62 -0.94 0.24 0.00 0.00 174.94 174.40 1bd9 s SER 54 N -1.28 -0.55 -0.01 4.36 1.04 -0.88 -4.85 113.70 111.52 1bd9 s SER 54 Ca -0.14 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 55.99 1bd9 s SER 54 Cb -0.09 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1bd9 s SER 54 CO -0.01 -0.96 0.63 -1.66 0.98 0.00 0.00 173.24 172.22 1bd9 s TRP 55 N -3.72 -0.59 0.33 5.02 -2.14 -1.26 -0.09 118.94 116.48 1bd9 s TRP 55 Ca 0.02 0.90 -0.29 0.00 2.66 0.00 0.00 56.10 59.39 1bd9 s TRP 55 Cb -0.01 0.41 -0.10 0.00 -3.10 0.00 0.00 33.47 30.66 1bd9 s TRP 55 CO -0.12 -0.64 1.32 -0.51 -2.66 0.00 0.00 176.95 174.34 1bd9 s ASP 56 N -1.51 6.74 0.00 -2.66 1.01 -1.26 -2.34 116.67 116.65 1bd9 s ASP 56 Ca -0.09 2.71 0.00 0.00 0.71 0.00 0.00 52.55 55.89 1bd9 s ASP 56 Cb -0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1bd9 s ASP 56 CO 0.05 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.48 1bd9 n GLY 57 N 0.79 0.84 3.60 0.21 0.00 -1.26 -4.95 105.19 104.42 1bd9 n GLY 57 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.51 1bd9 n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bd9 n LEU 58 N 0.00 1.77 -4.26 0.99 7.94 -0.99 -4.94 117.00 117.51 1bd9 n LEU 58 Ca 0.00 1.12 -0.35 0.00 -1.11 0.00 0.00 56.01 55.67 1bd9 n LEU 58 Cb 0.00 -1.21 -0.14 0.00 0.53 0.00 0.00 43.42 42.60 1bd9 n LEU 58 CO 0.00 -0.98 -0.38 -0.62 -1.11 0.00 0.00 177.39 174.30 1bd9 s ASP 59 N 0.55 4.38 0.56 1.96 -1.08 -1.26 -4.98 116.67 116.79 1bd9 s ASP 59 Ca 0.84 -0.64 0.37 0.00 -0.52 0.00 0.00 52.55 52.61 1bd9 s ASP 59 Cb -0.93 -1.72 1.89 0.00 -1.46 0.00 0.00 42.92 40.70 1bd9 s ASP 59 CO 0.46 -0.09 2.13 0.77 0.52 0.00 0.00 175.17 178.96 1bd9 h SER 60 N 8.09 0.00 -0.02 -0.34 4.64 -1.93 -0.28 113.55 123.71 1bd9 h SER 60 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1bd9 h SER 60 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1bd9 h SER 60 CO 0.59 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 177.16 1bd9 n GLY 61 N -0.78 0.44 3.94 -0.77 0.00 -1.26 -4.10 105.19 102.66 1bd9 n GLY 61 Ca -0.02 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 1bd9 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bd9 s LYS 62 N -2.01 2.63 -0.05 1.61 1.02 -0.11 -4.96 119.74 117.87 1bd9 s LYS 62 Ca 0.33 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 54.90 1bd9 s LYS 62 Cb 0.21 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1bd9 s LYS 62 CO 0.32 -0.27 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.89 1bd9 s LEU 63 N -4.25 3.07 0.06 3.17 1.43 -1.26 -1.79 118.68 119.11 1bd9 s LEU 63 Ca 0.51 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1bd9 s LEU 63 Cb -0.06 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1bd9 s LEU 63 CO 0.30 0.34 -0.05 -0.31 0.23 0.00 0.00 176.35 176.86 1bd9 s TYR 64 N -0.84 0.61 -0.08 0.29 1.51 -0.28 -0.74 117.35 117.82 1bd9 s TYR 64 Ca 0.13 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.38 1bd9 s TYR 64 Cb -0.11 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1bd9 s TYR 64 CO 0.03 -0.22 -0.08 0.99 -1.11 0.00 0.00 175.55 175.15 1bd9 s THR 65 N -2.90 3.59 -0.08 -0.71 2.01 0.02 -1.07 115.64 116.49 1bd9 s THR 65 Ca 0.01 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1bd9 s THR 65 Cb 0.00 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1bd9 s THR 65 CO -0.05 0.58 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.07 1bd9 s LEU 66 N -0.56 1.82 0.01 4.42 2.96 0.77 -0.87 118.68 127.23 1bd9 s LEU 66 Ca 0.08 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1bd9 s LEU 66 Cb -0.12 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 1bd9 s LEU 66 CO 0.02 0.08 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.36 1bd9 s VAL 67 N 0.60 0.55 -0.13 1.68 1.01 0.12 -1.09 120.40 123.14 1bd9 s VAL 67 Ca -0.15 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1bd9 s VAL 67 Cb -0.16 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1bd9 s VAL 67 CO 0.05 -0.01 -0.14 -0.22 0.00 0.00 0.00 175.10 174.78 1bd9 s LEU 68 N -0.61 1.65 0.01 3.92 2.96 -0.71 -0.56 118.68 125.34 1bd9 s LEU 68 Ca -0.01 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1bd9 s LEU 68 Cb -0.05 -1.13 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 1bd9 s LEU 68 CO 0.00 -0.04 0.05 0.28 -1.32 0.00 0.00 176.35 175.32 1bd9 s THR 69 N 1.36 0.09 -0.36 3.68 -1.32 -0.13 -0.78 115.64 118.19 1bd9 s THR 69 Ca 0.02 -0.70 -0.02 0.00 -1.21 0.00 0.00 61.69 59.78 1bd9 s THR 69 Cb -0.13 -0.31 0.08 0.00 -1.51 0.00 0.00 72.50 70.63 1bd9 s THR 69 CO -0.08 -0.39 0.10 -0.62 -2.21 0.00 0.00 174.62 171.43 1bd9 s ASP 70 N -1.23 5.05 0.19 8.08 2.15 -0.03 -0.88 116.67 129.99 1bd9 s ASP 70 Ca -0.13 -1.72 0.23 0.00 0.43 0.00 0.00 52.55 51.36 1bd9 s ASP 70 Cb -0.08 -1.76 0.90 0.00 -0.30 0.00 0.00 42.92 41.69 1bd9 s ASP 70 CO 0.00 -0.41 1.71 -0.81 -0.17 0.00 0.00 175.17 175.49 1bd9 n PRO 71 N 4.57 0.17 -1.86 4.34 -0.04 -1.26 -0.51 135.00 140.41 1bd9 n PRO 71 Ca -0.06 0.31 -0.39 0.00 -0.04 0.00 0.00 63.50 63.32 1bd9 n PRO 71 Cb 0.42 -1.77 0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1bd9 n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bd9 n ASP 72 N -2.07 7.47 -4.53 3.54 8.00 -1.26 -4.43 116.55 123.27 1bd9 n ASP 72 Ca 0.04 -3.83 -0.34 0.00 0.71 0.00 0.00 54.79 51.37 1bd9 n ASP 72 Cb 0.28 -1.04 -0.12 0.00 -0.02 0.00 0.00 41.12 40.22 1bd9 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bd9 s ALA 73 N -4.03 3.08 -1.09 2.24 0.00 -1.25 -1.25 121.76 119.45 1bd9 s ALA 73 Ca 0.54 -0.81 0.28 0.00 0.00 0.00 0.00 51.96 51.97 1bd9 s ALA 73 Cb 0.45 -1.59 1.26 0.00 0.00 0.00 0.00 23.12 23.23 1bd9 s ALA 73 CO -0.36 0.25 1.92 -0.35 0.00 0.00 0.00 175.76 177.22 1bd9 n PRO 74 N 3.40 0.09 -3.67 0.00 -0.04 -1.25 -0.19 135.00 133.34 1bd9 n PRO 74 Ca -0.17 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1bd9 n PRO 74 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1bd9 n PRO 74 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1bd9 s SER 75 N -2.91 -0.23 0.38 3.54 1.04 -0.38 -4.61 113.70 110.53 1bd9 s SER 75 Ca 0.17 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.48 1bd9 s SER 75 Cb 0.19 0.44 0.77 0.00 0.10 0.00 0.00 66.02 67.51 1bd9 s SER 75 CO 0.50 -0.75 1.93 -0.09 0.98 0.00 0.00 173.24 175.82 1bd9 h ARG 76 N 2.73 0.34 0.00 4.02 2.43 -1.80 -2.05 114.38 120.04 1bd9 h ARG 76 Ca -0.33 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.67 1bd9 h ARG 76 Cb 1.23 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1bd9 h ARG 76 CO 0.46 0.40 -0.54 -0.22 -1.51 0.00 0.00 179.97 178.56 1bd9 h LYS 77 N 0.33 0.00 -2.21 0.20 3.64 -1.92 -3.37 116.57 113.24 1bd9 h LYS 77 Ca 0.07 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.87 1bd9 h LYS 77 Cb 0.29 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.72 1bd9 h LYS 77 CO 0.01 0.54 -1.02 -3.47 -2.27 0.00 0.00 179.45 173.24 1bd9 n ASP 78 N -3.59 0.02 -2.86 4.20 2.03 -1.00 -5.03 116.55 110.32 1bd9 n ASP 78 Ca -0.00 -2.57 -0.30 0.00 0.52 0.00 0.00 54.79 52.44 1bd9 n ASP 78 Cb 0.61 -0.60 -0.07 0.00 -0.72 0.00 0.00 41.12 40.34 1bd9 n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1bd9 n PRO 79 N 2.11 3.19 0.23 -0.67 -0.04 -0.81 -3.41 135.00 135.60 1bd9 n PRO 79 Ca 0.26 -2.00 0.16 0.00 -0.04 0.00 0.00 63.50 61.87 1bd9 n PRO 79 Cb 0.50 -2.48 0.65 0.00 -0.04 0.00 0.00 33.50 32.13 1bd9 n PRO 79 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1bd9 h LYS 80 N 4.17 0.00 -0.53 0.54 2.10 -1.81 -2.53 116.57 118.50 1bd9 h LYS 80 Ca 0.60 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 1bd9 h LYS 80 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1bd9 h LYS 80 CO 1.19 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 179.30 1bd9 n TYR 81 N -2.77 0.81 -1.65 0.07 4.01 0.74 -4.88 117.16 113.48 1bd9 n TYR 81 Ca 0.01 -0.53 -0.49 0.00 -0.16 0.00 0.00 57.90 56.73 1bd9 n TYR 81 Cb 0.26 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 1bd9 n TYR 81 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1bd9 n ARG 82 N 1.00 1.79 -3.94 -0.72 0.63 -0.96 -0.75 116.66 113.70 1bd9 n ARG 82 Ca 0.19 0.65 -0.31 0.00 -0.92 0.00 0.00 57.85 57.45 1bd9 n ARG 82 Cb 0.58 -2.39 -0.05 0.00 0.45 0.00 0.00 32.46 31.06 1bd9 n ARG 82 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1bd9 s GLU 83 N 1.48 3.34 -0.39 -0.14 2.02 0.63 -3.87 118.70 121.77 1bd9 s GLU 83 Ca 0.84 -0.46 -0.15 0.00 0.02 0.00 0.00 54.97 55.22 1bd9 s GLU 83 Cb -0.79 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 30.45 1bd9 s GLU 83 CO 0.45 0.62 0.34 -0.46 0.02 0.00 0.00 175.26 176.22 1bd9 s TRP 84 N -1.45 3.21 -0.16 1.61 -0.00 0.33 -0.52 118.94 121.97 1bd9 s TRP 84 Ca 0.32 -0.40 -0.21 0.00 -0.00 0.00 0.00 56.10 55.82 1bd9 s TRP 84 Cb -0.13 -2.67 -0.03 0.00 -0.00 0.00 0.00 33.47 30.64 1bd9 s TRP 84 CO 0.25 -0.57 0.61 -3.38 -0.00 0.00 0.00 176.95 173.86 1bd9 s HIS 85 N 1.86 3.44 -0.10 5.86 -3.43 -0.75 -0.85 115.29 121.31 1bd9 s HIS 85 Ca 0.08 0.97 0.08 0.00 -0.80 0.00 0.00 55.06 55.39 1bd9 s HIS 85 Cb -0.18 -2.75 -0.24 0.00 -1.43 0.00 0.00 32.58 27.98 1bd9 s HIS 85 CO 0.11 -0.06 0.44 0.72 -2.00 0.00 0.00 174.74 173.95 1bd9 n HIS 86 N 4.56 0.84 -3.69 0.38 8.25 0.04 -4.89 115.22 120.72 1bd9 n HIS 86 Ca -0.03 0.26 -0.11 0.00 -0.26 0.00 0.00 57.72 57.59 1bd9 n HIS 86 Cb 0.50 -1.14 -0.09 0.00 1.12 0.00 0.00 29.99 30.38 1bd9 n HIS 86 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1bd9 s PHE 87 N -2.57 -0.68 -0.11 4.41 5.36 -1.09 -1.70 117.98 121.60 1bd9 s PHE 87 Ca -0.12 1.49 -0.03 0.00 -0.96 0.00 0.00 56.93 57.30 1bd9 s PHE 87 Cb 0.07 0.31 0.05 0.00 -0.34 0.00 0.00 43.02 43.12 1bd9 s PHE 87 CO 0.80 -0.35 0.13 -1.17 -1.46 0.00 0.00 175.22 173.17 1bd9 s LEU 88 N 1.03 0.06 -0.05 6.12 2.96 -0.55 -1.75 118.68 126.51 1bd9 s LEU 88 Ca -0.06 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1bd9 s LEU 88 Cb -0.06 0.09 0.02 0.00 0.50 0.00 0.00 46.19 46.74 1bd9 s LEU 88 CO -0.09 -0.28 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.91 1bd9 s VAL 89 N 2.24 0.62 0.28 1.68 1.01 -0.25 0.04 120.40 126.02 1bd9 s VAL 89 Ca 0.04 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1bd9 s VAL 89 Cb -0.13 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1bd9 s VAL 89 CO -0.07 0.24 -0.10 0.68 0.00 0.00 0.00 175.10 175.85 1bd9 s VAL 90 N 0.83 1.90 -1.41 2.92 -7.23 -0.18 -0.17 120.40 117.07 1bd9 s VAL 90 Ca -0.12 -2.19 -0.09 0.00 -1.81 0.00 0.00 61.98 57.76 1bd9 s VAL 90 Cb -0.14 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1bd9 s VAL 90 CO 0.01 -0.34 1.07 0.59 -0.31 0.00 0.00 175.10 176.12 1bd9 n ASN 91 N -0.60 -6.09 -4.69 4.85 3.02 -1.11 -0.15 115.26 110.50 1bd9 n ASN 91 Ca -0.06 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 1bd9 n ASN 91 Cb 0.62 -4.81 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 1bd9 n ASN 91 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1bd9 s MET 92 N -6.28 4.41 -0.46 3.52 1.75 -0.23 -4.22 119.30 117.78 1bd9 s MET 92 Ca 0.56 1.32 -0.29 0.00 -1.25 0.00 0.00 55.69 56.03 1bd9 s MET 92 Cb -0.25 -3.54 0.02 0.00 2.84 0.00 0.00 34.83 33.89 1bd9 s MET 92 CO 0.69 -0.29 1.33 0.15 -0.65 0.00 0.00 175.02 176.25 1bd9 s LYS 93 N 1.95 3.57 7.23 4.11 1.02 -1.26 -1.13 119.74 135.23 1bd9 s LYS 93 Ca 0.47 0.73 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1bd9 s LYS 93 Cb -0.18 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 1bd9 s LYS 93 CO 0.18 -1.58 0.00 0.41 -0.92 0.00 0.00 175.35 173.44 1bd9 n GLY 94 N 5.05 3.35 1.15 -3.33 0.00 -0.74 -1.89 105.19 108.78 1bd9 n GLY 94 Ca 0.14 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1bd9 n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bd9 n ASN 95 N 3.56 4.17 -4.50 1.61 6.94 -1.26 -4.71 115.26 121.05 1bd9 n ASN 95 Ca 0.00 -2.66 -0.42 0.00 -0.02 0.00 0.00 54.58 51.48 1bd9 n ASN 95 Cb 0.00 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 36.88 1bd9 n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1bd9 s ASP 96 N -1.33 6.30 0.26 0.53 2.15 -0.79 -4.62 116.67 119.16 1bd9 s ASP 96 Ca 0.42 -1.07 -0.03 0.00 0.43 0.00 0.00 52.55 52.30 1bd9 s ASP 96 Cb 0.30 -2.49 0.41 0.00 -0.30 0.00 0.00 42.92 40.84 1bd9 s ASP 96 CO 0.15 -1.52 1.84 0.40 -0.17 0.00 0.00 175.17 175.87 1bd9 h ILE 97 N 6.13 0.99 0.00 4.11 2.04 -1.90 -1.89 117.51 126.99 1bd9 h ILE 97 Ca -0.12 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1bd9 h ILE 97 Cb 1.05 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1bd9 h ILE 97 CO 1.25 0.18 0.00 0.77 0.00 0.00 0.00 178.15 180.35 1bd9 h SER 98 N 0.96 0.00 1.46 1.72 4.64 -1.98 -2.21 113.55 118.15 1bd9 h SER 98 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1bd9 h SER 98 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1bd9 h SER 98 CO -0.21 0.00 -0.17 0.77 -0.87 0.00 0.00 176.83 176.35 1bd9 h SER 99 N 0.00 0.00 -4.49 4.97 4.64 -1.71 -3.47 113.55 113.49 1bd9 h SER 99 Ca 0.00 -0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 60.80 1bd9 h SER 99 Cb 0.23 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.41 1bd9 h SER 99 CO 0.00 0.02 0.39 -0.83 -0.87 0.00 0.00 176.83 175.54 1bd9 s GLY 100 N -3.78 1.61 -0.44 -0.77 0.00 -0.83 -4.59 107.32 98.51 1bd9 s GLY 100 Ca 0.08 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.14 1bd9 s GLY 100 CO 0.65 -0.03 0.49 -1.59 0.00 0.00 0.00 173.10 172.62 1bd9 s THR 101 N -3.42 5.02 -0.23 0.90 2.01 0.79 -4.92 115.64 115.78 1bd9 s THR 101 Ca 0.61 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.99 1bd9 s THR 101 Cb -0.12 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 1bd9 s THR 101 CO 0.51 -0.51 1.30 -0.69 -0.69 0.00 0.00 174.62 174.54 1bd9 s VAL 102 N 2.29 4.19 -0.12 3.82 1.01 -1.26 -1.01 120.40 129.32 1bd9 s VAL 102 Ca 0.14 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1bd9 s VAL 102 Cb -0.17 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.91 1bd9 s VAL 102 CO 0.14 -0.30 0.35 0.18 0.00 0.00 0.00 175.10 175.48 1bd9 n LEU 103 N 7.15 2.06 -3.71 3.92 4.77 0.11 -4.83 117.00 126.47 1bd9 n LEU 103 Ca 0.14 0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 56.06 1bd9 n LEU 103 Cb 0.46 -0.66 -0.17 0.00 -2.33 0.00 0.00 43.42 40.72 1bd9 n LEU 103 CO 0.59 0.72 -0.36 -0.44 -1.33 0.00 0.00 177.39 176.58 1bd9 s SER 104 N -6.63 2.84 0.77 -1.43 0.01 -0.70 -0.94 113.70 107.61 1bd9 s SER 104 Ca -0.19 -0.80 -0.15 0.00 1.31 0.00 0.00 55.95 56.13 1bd9 s SER 104 Cb 0.07 -0.54 0.06 0.00 0.21 0.00 0.00 66.02 65.82 1bd9 s SER 104 CO 0.77 -0.31 1.23 -0.62 0.41 0.00 0.00 173.24 174.71 1bd9 s ASP 105 N 1.90 3.85 0.07 2.44 2.15 -0.49 -1.48 116.67 125.12 1bd9 s ASP 105 Ca -0.00 2.44 -0.31 0.00 0.43 0.00 0.00 52.55 55.11 1bd9 s ASP 105 Cb -0.17 -2.60 -0.09 0.00 -0.30 0.00 0.00 42.92 39.77 1bd9 s ASP 105 CO -0.08 -2.50 1.73 -0.47 -0.17 0.00 0.00 175.17 173.67 1bd9 s TYR 106 N -1.94 2.23 -0.13 -5.34 5.04 -1.26 -4.56 117.35 111.39 1bd9 s TYR 106 Ca 0.76 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1bd9 s TYR 106 Cb -0.31 -4.04 0.01 0.00 0.35 0.00 0.00 41.96 37.97 1bd9 s TYR 106 CO 0.48 -4.28 -0.19 0.08 -1.34 0.00 0.00 175.55 170.29 1bd9 s VAL 107 N 2.90 1.82 0.46 3.14 1.01 -0.69 -4.77 120.40 124.27 1bd9 s VAL 107 Ca 0.77 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1bd9 s VAL 107 Cb -0.41 -1.63 0.11 0.00 0.00 0.00 0.00 36.38 34.44 1bd9 s VAL 107 CO 0.34 0.50 0.49 0.61 0.00 0.00 0.00 175.10 177.04 1bd9 n GLY 108 N 4.13 -2.03 3.70 4.51 0.00 -1.26 -4.74 105.19 109.50 1bd9 n GLY 108 Ca -0.20 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1bd9 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bd9 s SER 109 N -2.82 6.79 -0.45 1.61 0.01 -1.26 -4.97 113.70 112.61 1bd9 s SER 109 Ca 0.30 2.29 0.09 0.00 1.31 0.00 0.00 55.95 59.93 1bd9 s SER 109 Cb -0.02 -2.57 0.38 0.00 0.21 0.00 0.00 66.02 64.02 1bd9 s SER 109 CO 0.22 -0.72 0.93 0.61 0.41 0.00 0.00 173.24 174.69 1bd9 n GLY 110 N 3.63 4.53 3.68 3.44 0.00 -1.26 -4.73 105.19 114.47 1bd9 n GLY 110 Ca 0.13 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1bd9 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bd9 s PRO 111 N -3.16 4.22 0.50 1.61 0.04 -1.26 -4.93 135.00 132.01 1bd9 s PRO 111 Ca 0.43 2.16 -0.23 0.00 0.04 0.00 0.00 61.00 63.40 1bd9 s PRO 111 Cb 0.35 -3.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 1bd9 s PRO 111 CO -0.11 -0.72 1.31 -2.14 0.04 0.00 0.00 177.00 175.38 1bd9 s PRO 112 N 3.00 3.44 0.18 0.56 0.02 -1.26 -3.71 135.00 137.23 1bd9 s PRO 112 Ca 0.70 2.12 -0.33 0.00 0.02 0.00 0.00 61.00 63.51 1bd9 s PRO 112 Cb -0.35 -2.39 -0.15 0.00 0.02 0.00 0.00 34.50 31.63 1bd9 s PRO 112 CO 0.29 -0.91 1.32 1.17 -0.33 0.00 0.00 177.00 178.54 1bd9 n LYS 113 N -0.68 1.54 -0.59 5.54 4.81 -1.26 -2.29 118.16 125.23 1bd9 n LYS 113 Ca 0.08 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1bd9 n LYS 113 Cb 0.45 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1bd9 n LYS 113 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bd9 n GLY 114 N 2.32 1.28 0.99 3.14 0.00 -1.26 -4.92 105.19 106.75 1bd9 n GLY 114 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1bd9 n GLY 114 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bd9 n THR 115 N -2.00 0.65 -4.68 2.61 -2.24 -0.97 -5.07 114.28 102.58 1bd9 n THR 115 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1bd9 n THR 115 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1bd9 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bd9 n GLY 116 N 1.38 -0.51 3.75 3.38 0.00 -1.26 -4.55 105.19 107.37 1bd9 n GLY 116 Ca 0.18 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1bd9 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bd9 s LEU 117 N 0.00 4.53 0.09 0.99 1.43 -1.26 -4.44 118.68 120.01 1bd9 s LEU 117 Ca 0.00 2.13 0.06 0.00 -1.03 0.00 0.00 54.13 55.29 1bd9 s LEU 117 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1bd9 s LEU 117 CO 0.00 -0.15 -0.09 -1.00 0.23 0.00 0.00 176.35 175.34 1bd9 s HIS 118 N -0.63 2.77 -0.12 0.29 3.76 -0.48 -4.63 115.29 116.25 1bd9 s HIS 118 Ca 0.47 -0.14 -0.21 0.00 -0.15 0.00 0.00 55.06 55.03 1bd9 s HIS 118 Cb -0.30 -1.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 1bd9 s HIS 118 CO 0.36 0.41 0.61 1.03 -0.85 0.00 0.00 174.74 176.31 1bd9 s ARG 119 N -2.06 4.35 -0.28 1.40 0.52 -1.26 -2.31 118.95 119.30 1bd9 s ARG 119 Ca 0.21 0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 56.06 1bd9 s ARG 119 Cb -0.11 -3.48 0.03 0.00 0.52 0.00 0.00 34.95 31.91 1bd9 s ARG 119 CO 0.13 0.01 0.01 0.71 0.02 0.00 0.00 175.30 176.18 1bd9 s TYR 120 N 1.04 3.15 -0.21 -0.53 2.02 0.53 -3.98 117.35 119.37 1bd9 s TYR 120 Ca 0.32 -1.44 -0.07 0.00 -0.37 0.00 0.00 57.07 55.51 1bd9 s TYR 120 Cb -0.16 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1bd9 s TYR 120 CO 0.14 -0.70 0.04 0.08 -1.57 0.00 0.00 175.55 173.54 1bd9 s VAL 121 N 1.37 4.33 -0.18 0.71 1.01 -0.06 -1.55 120.40 126.03 1bd9 s VAL 121 Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1bd9 s VAL 121 Cb -0.18 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1bd9 s VAL 121 CO -0.01 0.40 0.13 0.26 0.00 0.00 0.00 175.10 175.88 1bd9 s TRP 122 N 1.04 3.44 -0.00 5.22 0.52 -0.42 -0.96 118.94 127.78 1bd9 s TRP 122 Ca 0.03 0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.52 1bd9 s TRP 122 Cb -0.14 -2.10 -0.00 0.00 -1.15 0.00 0.00 33.47 30.07 1bd9 s TRP 122 CO 0.03 0.38 -0.03 -0.51 0.02 0.00 0.00 176.95 176.84 1bd9 s LEU 123 N 0.04 2.01 -0.08 2.99 1.43 0.28 -1.29 118.68 124.06 1bd9 s LEU 123 Ca 0.09 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1bd9 s LEU 123 Cb -0.11 -0.12 0.01 0.00 0.03 0.00 0.00 46.19 45.99 1bd9 s LEU 123 CO -0.01 0.02 -0.16 -0.69 0.23 0.00 0.00 176.35 175.75 1bd9 s VAL 124 N -0.10 1.40 -0.03 -1.59 1.01 0.68 -0.70 120.40 121.07 1bd9 s VAL 124 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 1bd9 s VAL 124 Cb -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1bd9 s VAL 124 CO -0.00 0.41 -0.22 -0.31 0.00 0.00 0.00 175.10 174.98 1bd9 s TYR 125 N 0.59 2.46 -0.09 5.22 1.51 -0.05 -0.32 117.35 126.67 1bd9 s TYR 125 Ca -0.16 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.29 1bd9 s TYR 125 Cb -0.16 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1bd9 s TYR 125 CO 0.05 0.02 0.76 -2.00 -1.11 0.00 0.00 175.55 173.27 1bd9 s GLU 126 N -0.61 4.41 0.21 -0.62 2.12 -1.26 -0.80 118.70 122.14 1bd9 s GLU 126 Ca 0.09 0.96 0.02 0.00 0.36 0.00 0.00 54.97 56.40 1bd9 s GLU 126 Cb -0.10 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1bd9 s GLU 126 CO -0.00 -0.06 0.36 -0.65 -0.54 0.00 0.00 175.26 174.38 1bd9 s GLN 127 N 1.20 3.47 0.12 4.30 -0.21 0.09 -4.68 119.66 123.94 1bd9 s GLN 127 Ca 0.39 -0.51 0.21 0.00 0.02 0.00 0.00 55.36 55.46 1bd9 s GLN 127 Cb -0.18 -2.87 -0.10 0.00 1.00 0.00 0.00 33.01 30.86 1bd9 s GLN 127 CO 0.18 0.42 0.87 -0.25 -2.12 0.00 0.00 175.29 174.39 1bd9 n ASP 128 N -0.89 0.71 -3.53 5.90 8.00 -1.26 -4.53 116.55 120.95 1bd9 n ASP 128 Ca -0.06 0.29 -0.04 0.00 0.71 0.00 0.00 54.79 55.69 1bd9 n ASP 128 Cb 0.55 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 1bd9 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bd9 s ARG 129 N -3.23 1.33 0.36 -1.24 1.70 -1.26 -5.06 118.95 111.57 1bd9 s ARG 129 Ca -0.03 -0.80 -0.28 0.00 -0.47 0.00 0.00 55.73 54.15 1bd9 s ARG 129 Cb 0.10 0.41 -0.12 0.00 -0.57 0.00 0.00 34.95 34.77 1bd9 s ARG 129 CO 0.81 -0.62 1.40 -2.30 -1.08 0.00 0.00 175.30 173.52 1bd9 n PRO 130 N -0.57 2.43 -3.66 3.89 -0.02 -1.26 -5.00 135.00 130.81 1bd9 n PRO 130 Ca -0.05 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 1bd9 n PRO 130 Cb 0.60 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1bd9 n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bd9 s LEU 131 N -1.62 4.30 -0.66 2.45 1.43 -1.26 -5.05 118.68 118.26 1bd9 s LEU 131 Ca 0.54 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1bd9 s LEU 131 Cb -0.52 -3.17 0.16 0.00 0.03 0.00 0.00 46.19 42.70 1bd9 s LEU 131 CO 0.63 0.10 0.44 -0.54 0.23 0.00 0.00 176.35 177.22 1bd9 s LYS 132 N -2.38 2.38 0.16 1.70 1.02 -1.26 -4.92 119.74 116.43 1bd9 s LYS 132 Ca 0.38 -3.13 -0.23 0.00 0.02 0.00 0.00 55.97 53.00 1bd9 s LYS 132 Cb -0.13 -3.43 -0.08 0.00 -0.52 0.00 0.00 37.83 33.68 1bd9 s LYS 132 CO 0.22 -1.23 0.72 0.00 -0.92 0.00 0.00 175.35 174.14 1bd9 n ASP 134 N 1.45 3.25 -4.70 0.00 5.75 -1.26 -4.95 116.55 116.09 1bd9 n ASP 134 Ca -0.06 -1.97 -0.42 0.00 -0.01 0.00 0.00 54.79 52.33 1bd9 n ASP 134 Cb 0.50 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1bd9 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1bd9 s GLU 135 N -1.62 4.20 0.53 0.11 8.01 -1.26 -4.94 118.70 123.74 1bd9 s GLU 135 Ca 0.36 2.34 -0.21 0.00 0.01 0.00 0.00 54.97 57.47 1bd9 s GLU 135 Cb 0.22 -3.43 -0.06 0.00 -4.31 0.00 0.00 34.13 26.54 1bd9 s GLU 135 CO 0.31 -0.69 1.17 -2.30 0.01 0.00 0.00 175.26 173.76 1bd9 n PRO 136 N 4.99 1.40 -2.50 0.39 -0.02 -1.26 -4.91 135.00 133.08 1bd9 n PRO 136 Ca 0.15 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1bd9 n PRO 136 Cb 0.40 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1bd9 n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1bd9 s ILE 137 N -1.35 4.25 -0.11 4.25 -1.09 -1.26 -4.86 121.20 121.03 1bd9 s ILE 137 Ca 0.71 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.75 1bd9 s ILE 137 Cb -0.45 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 1bd9 s ILE 137 CO 0.50 0.13 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.51 1bd9 s LEU 138 N 0.98 3.07 0.71 2.97 1.43 -0.11 -5.03 118.68 122.70 1bd9 s LEU 138 Ca 0.56 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1bd9 s LEU 138 Cb -0.27 -1.70 0.08 0.00 0.03 0.00 0.00 46.19 44.33 1bd9 s LEU 138 CO 0.29 0.24 1.01 -0.94 0.23 0.00 0.00 176.35 177.18 1bd9 s SER 139 N -0.10 4.64 -0.27 2.29 1.04 -1.26 -1.39 113.70 118.66 1bd9 s SER 139 Ca 0.01 0.24 0.13 0.00 0.48 0.00 0.00 55.95 56.81 1bd9 s SER 139 Cb -0.13 -0.83 0.79 0.00 0.10 0.00 0.00 66.02 65.95 1bd9 s SER 139 CO 0.03 -1.68 1.76 -0.46 0.98 0.00 0.00 173.24 173.86 1bd9 n ASN 140 N -2.91 5.36 -0.68 7.02 0.23 -1.26 -4.14 115.26 118.87 1bd9 n ASN 140 Ca 0.10 -3.04 0.05 0.00 -0.53 0.00 0.00 54.58 51.16 1bd9 n ASN 140 Cb 0.60 -0.70 0.20 0.00 -2.08 0.00 0.00 39.78 37.80 1bd9 n ASN 140 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bd9 n ARG 141 N 0.30 1.98 -3.60 -3.83 1.74 -1.26 -4.50 116.66 107.48 1bd9 n ARG 141 Ca 0.32 -2.92 -0.15 0.00 -0.77 0.00 0.00 57.85 54.33 1bd9 n ARG 141 Cb 1.25 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 30.92 1bd9 n ARG 141 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1bd9 s SER 142 N -2.55 -0.72 0.00 0.55 0.15 -1.26 -1.38 113.70 108.50 1bd9 s SER 142 Ca 0.39 1.21 0.24 0.00 0.70 0.00 0.00 55.95 58.49 1bd9 s SER 142 Cb 0.34 1.17 1.07 0.00 -1.71 0.00 0.00 66.02 66.89 1bd9 s SER 142 CO 0.03 -0.36 1.74 0.61 1.20 0.00 0.00 173.24 176.45 1bd9 n GLY 143 N 2.12 -0.22 3.77 9.45 0.00 -1.09 -4.84 105.19 114.37 1bd9 n GLY 143 Ca -0.16 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1bd9 n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bd9 s ASP 144 N -1.76 6.36 -1.34 1.61 1.01 -1.26 -3.13 116.67 118.16 1bd9 s ASP 144 Ca 0.35 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.39 1bd9 s ASP 144 Cb 0.18 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1bd9 s ASP 144 CO 0.29 -0.83 0.00 1.41 0.21 0.00 0.00 175.17 176.25 1bd9 n HIS 145 N 0.30 0.00 0.02 4.23 8.25 -1.26 -4.88 115.22 121.88 1bd9 n HIS 145 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 1bd9 n HIS 145 Cb 0.42 -2.64 -0.14 0.00 1.12 0.00 0.00 29.99 28.74 1bd9 n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bd9 h ARG 146 N 0.04 0.26 -7.53 -0.41 2.47 -1.89 -3.48 114.38 103.85 1bd9 h ARG 146 Ca -0.26 -0.45 -0.48 0.00 -1.26 0.00 0.00 59.98 57.54 1bd9 h ARG 146 Cb 1.07 0.17 0.10 0.00 -1.65 0.00 0.00 29.97 29.65 1bd9 h ARG 146 CO 0.38 1.16 0.38 0.20 0.56 0.00 0.00 179.97 182.65 1bd9 s GLY 147 N -5.43 1.60 -1.45 0.04 0.00 -1.26 -1.82 107.32 99.01 1bd9 s GLY 147 Ca -0.19 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 1bd9 s GLY 147 CO 0.79 -0.03 0.35 0.28 0.00 0.00 0.00 173.10 174.50 1bd9 n LYS 148 N -3.31 -3.45 -2.68 2.90 4.76 0.07 -4.86 118.16 111.58 1bd9 n LYS 148 Ca 0.07 0.78 -0.30 0.00 -2.87 0.00 0.00 58.31 55.99 1bd9 n LYS 148 Cb 0.59 -5.52 -0.02 0.00 -1.84 0.00 0.00 35.03 28.23 1bd9 n LYS 148 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1bd9 s PHE 149 N -2.99 3.49 -0.29 2.13 5.36 0.32 -4.59 117.98 121.40 1bd9 s PHE 149 Ca 0.21 1.10 -0.03 0.00 -0.96 0.00 0.00 56.93 57.24 1bd9 s PHE 149 Cb -0.10 -2.50 0.10 0.00 -0.34 0.00 0.00 43.02 40.18 1bd9 s PHE 149 CO 0.26 -0.21 0.12 0.21 -1.46 0.00 0.00 175.22 174.14 1bd9 s LYS 150 N -4.10 0.32 0.37 10.12 2.20 -1.26 -0.27 119.74 127.13 1bd9 s LYS 150 Ca 0.52 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.54 1bd9 s LYS 150 Cb -0.10 -1.39 0.76 0.00 -1.51 0.00 0.00 37.83 35.58 1bd9 s LYS 150 CO 0.35 -1.00 1.97 -0.24 -0.36 0.00 0.00 175.35 176.07 1bd9 h VAL 151 N 6.43 1.03 -0.93 4.02 3.04 -1.97 -1.43 116.25 126.43 1bd9 h VAL 151 Ca -0.18 -0.25 0.03 0.00 -1.01 0.00 0.00 66.70 65.29 1bd9 h VAL 151 Cb 1.02 0.23 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 1bd9 h VAL 151 CO 0.44 0.13 0.61 0.00 -1.01 0.00 0.00 177.57 177.75 1bd9 h ALA 152 N 1.62 1.22 -0.09 3.17 0.00 -1.96 -0.07 119.26 123.15 1bd9 h ALA 152 Ca 0.30 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 1bd9 h ALA 152 Cb 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bd9 h ALA 152 CO -0.09 0.51 -0.80 0.66 0.00 0.00 0.00 179.25 179.52 1bd9 h SER 153 N 1.20 0.66 0.20 0.00 4.64 -1.66 -1.23 113.55 117.36 1bd9 h SER 153 Ca 0.36 -0.46 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1bd9 h SER 153 Cb -0.04 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1bd9 h SER 153 CO -0.11 1.23 -0.10 0.15 -0.87 0.00 0.00 176.83 177.13 1bd9 h PHE 154 N 0.36 -0.25 -0.31 4.77 3.04 -1.00 0.20 116.94 123.75 1bd9 h PHE 154 Ca -0.05 -0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.80 1bd9 h PHE 154 Cb 1.40 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.98 1bd9 h PHE 154 CO 0.06 -0.13 -0.19 0.07 -2.02 0.00 0.00 178.31 176.10 1bd9 h ARG 155 N -0.29 0.56 -0.25 1.11 -0.00 -1.02 -2.52 114.38 111.97 1bd9 h ARG 155 Ca -0.03 -0.19 -0.13 0.00 -0.00 0.00 0.00 59.98 59.63 1bd9 h ARG 155 Cb 0.22 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.14 1bd9 h ARG 155 CO 0.04 0.72 -0.38 0.87 -0.00 0.00 0.00 179.97 181.22 1bd9 h LYS 156 N 0.51 0.58 -0.77 0.08 1.57 -1.00 0.11 116.57 117.65 1bd9 h LYS 156 Ca 0.08 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1bd9 h LYS 156 Cb 0.61 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 1bd9 h LYS 156 CO 0.04 0.87 0.44 -0.22 -0.57 0.00 0.00 179.45 180.01 1bd9 h LYS 157 N 0.48 0.74 -0.73 3.15 3.64 -0.20 -0.16 116.57 123.49 1bd9 h LYS 157 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bd9 h LYS 157 Cb 0.88 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1bd9 h LYS 157 CO 0.08 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.41 1bd9 n TYR 158 N -4.75 0.80 -3.40 1.91 4.01 -0.99 -4.91 117.16 109.83 1bd9 n TYR 158 Ca 0.12 -0.29 -0.24 0.00 -0.16 0.00 0.00 57.90 57.32 1bd9 n TYR 158 Cb 0.23 -0.23 0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1bd9 n TYR 158 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1bd9 n GLU 159 N 0.29 -5.87 -3.57 -0.72 1.02 -0.07 -4.99 120.64 106.73 1bd9 n GLU 159 Ca 0.12 0.79 -0.33 0.00 -0.02 0.00 0.00 57.16 57.71 1bd9 n GLU 159 Cb 0.58 -5.70 -0.05 0.00 -0.02 0.00 0.00 31.44 26.25 1bd9 n GLU 159 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bd9 s LEU 160 N -6.98 4.27 0.00 -4.62 1.43 -0.01 -5.00 118.68 107.78 1bd9 s LEU 160 Ca 0.47 0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 54.26 1bd9 s LEU 160 Cb -0.22 -3.29 0.12 0.00 0.03 0.00 0.00 46.19 42.84 1bd9 s LEU 160 CO 0.58 0.06 0.75 0.54 0.23 0.00 0.00 176.35 178.51 1bd9 n ARG 161 N 0.33 -0.39 -1.05 1.70 1.74 -1.26 -4.42 116.66 113.31 1bd9 n ARG 161 Ca -0.04 -1.49 -0.33 0.00 -0.77 0.00 0.00 57.85 55.22 1bd9 n ARG 161 Cb 0.52 -0.67 0.13 0.00 -1.02 0.00 0.00 32.46 31.42 1bd9 n ARG 161 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bd9 n ALA 162 N -3.28 -0.21 -1.61 7.54 0.00 -1.26 -4.86 120.51 116.83 1bd9 n ALA 162 Ca -0.12 -0.36 -0.45 0.00 0.00 0.00 0.00 53.44 52.50 1bd9 n ALA 162 Cb 0.37 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 1bd9 n ALA 162 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bd9 n PRO 163 N -3.29 1.49 0.04 0.00 -0.02 -1.26 -4.80 135.00 127.15 1bd9 n PRO 163 Ca 0.13 0.53 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1bd9 n PRO 163 Cb 0.51 -1.99 -0.12 0.00 -0.02 0.00 0.00 33.50 31.88 1bd9 n PRO 163 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1bd9 h VAL 164 N 2.35 1.41 -3.15 -1.45 -1.51 -1.00 -1.86 116.25 111.03 1bd9 h VAL 164 Ca -0.42 -3.16 -0.09 0.00 -1.23 0.00 0.00 66.70 61.81 1bd9 h VAL 164 Cb 1.33 2.69 -0.17 0.00 -2.13 0.00 0.00 31.29 33.01 1bd9 h VAL 164 CO 0.65 0.80 -0.18 0.00 -1.23 0.00 0.00 177.57 177.62 1bd9 s ALA 165 N -2.68 -0.85 -0.04 5.19 0.00 -1.08 -1.32 121.76 120.98 1bd9 s ALA 165 Ca -0.01 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 1bd9 s ALA 165 Cb 0.09 0.32 0.12 0.00 0.00 0.00 0.00 23.12 23.66 1bd9 s ALA 165 CO 0.82 -0.43 1.26 0.20 0.00 0.00 0.00 175.76 177.62 1bd9 s GLY 166 N -2.00 -0.39 0.29 0.00 0.00 -0.88 -0.23 107.32 104.11 1bd9 s GLY 166 Ca -0.05 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 45.39 1bd9 s GLY 166 CO -0.02 0.19 0.59 -0.37 0.00 0.00 0.00 173.10 173.48 1bd9 n THR 167 N -0.42 0.00 -3.74 0.90 5.66 -0.42 -1.57 114.28 114.70 1bd9 n THR 167 Ca -0.07 -0.72 -0.13 0.00 -3.05 0.00 0.00 64.05 60.08 1bd9 n THR 167 Cb 0.62 0.73 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 1bd9 n THR 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bd9 s TYR 169 N 0.18 1.96 0.15 0.00 1.13 -0.59 0.31 117.35 120.47 1bd9 s TYR 169 Ca -0.00 -0.43 0.07 0.00 -1.41 0.00 0.00 57.07 55.30 1bd9 s TYR 169 Cb -0.03 -0.98 -0.04 0.00 -1.10 0.00 0.00 41.96 39.81 1bd9 s TYR 169 CO 0.01 0.37 -0.05 -0.65 -2.51 0.00 0.00 175.55 172.71 1bd9 s GLN 170 N -2.69 2.25 -0.09 -3.49 -0.21 0.52 -0.35 119.66 115.60 1bd9 s GLN 170 Ca 0.16 -1.09 -0.23 0.00 0.02 0.00 0.00 55.36 54.22 1bd9 s GLN 170 Cb -0.07 -2.31 0.05 0.00 1.00 0.00 0.00 33.01 31.68 1bd9 s GLN 170 CO 0.07 0.47 0.54 0.00 -2.12 0.00 0.00 175.29 174.26 1bd9 s ALA 171 N -1.52 -1.39 0.31 6.09 0.00 -0.98 -0.71 121.76 123.57 1bd9 s ALA 171 Ca 0.25 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.38 1bd9 s ALA 171 Cb -0.10 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 1bd9 s ALA 171 CO 0.16 -0.31 0.00 -1.83 0.00 0.00 0.00 175.76 173.79 1bd9 s GLU 172 N -0.80 1.64 0.43 0.00 -1.05 -1.26 -1.38 118.70 116.28 1bd9 s GLU 172 Ca -0.09 -1.88 -0.24 0.00 -0.15 0.00 0.00 54.97 52.61 1bd9 s GLU 172 Cb -0.03 -1.07 -0.10 0.00 -0.44 0.00 0.00 34.13 32.50 1bd9 s GLU 172 CO 0.06 -0.08 1.08 1.87 0.95 0.00 0.00 175.26 179.14 1bd9 n TRP 173 N -0.67 1.43 -4.12 4.83 -0.00 -1.24 -4.39 117.44 113.27 1bd9 n TRP 173 Ca -0.04 0.54 -0.12 0.00 -0.00 0.00 0.00 57.50 57.88 1bd9 n TRP 173 Cb 0.65 -2.26 -0.04 0.00 -0.00 0.00 0.00 31.31 29.65 1bd9 n TRP 173 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1bd9 n ASP 174 N 0.33 -0.52 0.00 5.87 5.68 -1.26 -4.98 116.55 121.68 1bd9 n ASP 174 Ca 0.09 -2.33 0.10 0.00 -0.50 0.00 0.00 54.79 52.15 1bd9 n ASP 174 Cb 0.40 1.14 0.57 0.00 -1.14 0.00 0.00 41.12 42.08 1bd9 n ASP 174 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1bd9 n ASP 175 N -2.12 0.00 0.02 -1.12 5.75 -1.26 -2.38 116.55 115.45 1bd9 n ASP 175 Ca 0.04 -1.18 -0.08 0.00 -0.01 0.00 0.00 54.79 53.56 1bd9 n ASP 175 Cb 0.37 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.33 1bd9 n ASP 175 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1bd9 h TYR 176 N 0.00 0.03 -0.60 2.11 3.20 -1.97 -3.39 116.97 116.36 1bd9 h TYR 176 Ca 0.00 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1bd9 h TYR 176 Cb 0.00 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 1bd9 h TYR 176 CO 0.00 1.03 0.13 0.28 -1.64 0.00 0.00 178.16 177.96 1bd9 h VAL 177 N 0.01 0.64 -0.88 1.81 2.07 -1.79 -1.54 116.25 116.56 1bd9 h VAL 177 Ca -0.15 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.44 1bd9 h VAL 177 Cb 1.90 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.92 1bd9 h VAL 177 CO 0.11 0.05 0.46 -0.65 0.02 0.00 0.00 177.57 177.56 1bd9 h PRO 178 N 0.27 0.60 -0.12 1.57 0.11 -1.77 -1.35 132.00 131.30 1bd9 h PRO 178 Ca 0.32 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.23 1bd9 h PRO 178 Cb 0.47 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1bd9 h PRO 178 CO -0.40 0.40 -0.62 0.87 -0.21 0.00 0.00 178.00 178.04 1bd9 h LYS 179 N 0.62 0.43 -0.82 1.05 1.79 -1.55 -2.98 116.57 115.11 1bd9 h LYS 179 Ca 0.50 -0.30 0.05 0.00 -2.18 0.00 0.00 60.65 58.72 1bd9 h LYS 179 Cb 0.75 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.39 1bd9 h LYS 179 CO -0.39 0.91 0.51 1.25 -1.08 0.00 0.00 179.45 180.65 1bd9 h LEU 180 N 0.32 0.82 -1.45 2.94 6.46 -0.64 -1.05 115.31 122.70 1bd9 h LEU 180 Ca -0.01 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1bd9 h LEU 180 Cb 1.16 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1bd9 h LEU 180 CO 0.11 0.54 -0.20 1.88 -0.62 0.00 0.00 178.44 180.15 1bd9 h TYR 181 N 0.96 0.00 -0.29 1.25 0.05 -1.29 -1.15 116.97 116.50 1bd9 h TYR 181 Ca 0.35 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.96 1bd9 h TYR 181 Cb 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1bd9 h TYR 181 CO -0.03 0.20 -0.50 0.93 -1.05 0.00 0.00 178.16 177.71 1bd9 h GLU 182 N 0.00 0.81 -0.56 4.88 5.08 -1.18 -2.62 114.58 121.00 1bd9 h GLU 182 Ca -0.00 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1bd9 h GLU 182 Cb 0.58 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1bd9 h GLU 182 CO 0.03 1.12 0.13 0.37 -1.00 0.00 0.00 179.01 179.66 1bd9 h GLN 183 N 0.64 0.85 0.00 2.33 4.15 -0.41 -1.74 115.11 120.93 1bd9 h GLN 183 Ca 0.03 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1bd9 h GLN 183 Cb 1.08 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1bd9 h GLN 183 CO 0.11 0.77 0.00 1.28 -1.93 0.00 0.00 178.83 179.06 1bd9 n LEU 184 N -4.27 0.00 0.00 -2.39 4.77 -0.51 -4.08 117.00 110.51 1bd9 n LEU 184 Ca 0.04 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1bd9 n LEU 184 Cb 0.23 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.67 1bd9 n LEU 184 CO 0.40 0.00 0.71 -1.54 -1.33 0.00 0.00 177.39 175.63 1bd9 n SER 185 N -0.91 0.00 -0.24 -1.43 3.41 -0.66 -2.66 113.62 111.13 1bd9 n SER 185 Ca 0.18 -1.56 0.15 0.00 -0.26 0.00 0.00 58.87 57.39 1bd9 n SER 185 Cb 0.08 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.77 1bd9 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49