#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh8 n HIS 0 N 0.00 0.61 -2.37 1.61 -0.00 -1.26 -4.09 115.22 109.71 1sh8 n HIS 0 Ca 0.00 -0.74 -0.43 0.00 -0.00 0.00 0.00 57.72 56.55 1sh8 n HIS 0 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.99 29.78 1sh8 n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1sh8 s MET 1 N -2.12 3.68 0.75 -0.41 -2.45 -1.26 -4.86 119.30 112.63 1sh8 s MET 1 Ca 0.32 1.02 -0.11 0.00 -1.25 0.00 0.00 55.69 55.67 1sh8 s MET 1 Cb 0.24 -3.98 0.05 0.00 1.25 0.00 0.00 34.83 32.38 1sh8 s MET 1 CO 0.10 -1.43 1.09 -1.25 1.05 0.00 0.00 175.02 174.58 1sh8 s PRO 2 N 4.70 2.36 0.66 4.11 0.04 -1.26 -4.99 135.00 140.62 1sh8 s PRO 2 Ca 0.60 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1sh8 s PRO 2 Cb -0.14 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 1sh8 s PRO 2 CO 0.30 -1.57 1.19 -0.51 0.04 0.00 0.00 177.00 176.45 1sh8 s LEU 3 N -5.73 3.48 0.10 -3.56 1.43 -1.26 -4.87 118.68 108.27 1sh8 s LEU 3 Ca 0.62 2.30 -0.35 0.00 -1.03 0.00 0.00 54.13 55.68 1sh8 s LEU 3 Cb -0.18 -4.59 -0.14 0.00 0.03 0.00 0.00 46.19 41.31 1sh8 s LEU 3 CO 0.53 -1.86 1.57 -0.81 0.23 0.00 0.00 176.35 176.02 1sh8 n PRO 4 N -2.18 1.89 -0.11 1.29 -0.04 -1.26 -4.71 135.00 129.89 1sh8 n PRO 4 Ca 0.13 0.68 -0.03 0.00 -0.04 0.00 0.00 63.50 64.25 1sh8 n PRO 4 Cb 0.50 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 1sh8 n PRO 4 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sh8 n THR 5 N 3.48 -0.17 -0.34 0.52 -2.24 -1.26 -1.32 114.28 112.95 1sh8 n THR 5 Ca 0.18 1.73 0.22 0.00 -2.27 0.00 0.00 64.05 63.91 1sh8 n THR 5 Cb 0.26 -2.25 0.47 0.00 -2.10 0.00 0.00 70.33 66.71 1sh8 n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1sh8 h GLU 6 N 0.00 0.43 -0.29 -0.78 4.81 -1.97 0.23 114.58 117.01 1sh8 h GLU 6 Ca 0.04 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1sh8 h GLU 6 Cb 0.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1sh8 h GLU 6 CO -0.24 0.28 -0.19 1.25 -0.73 0.00 0.00 179.01 179.39 1sh8 h LEU 7 N 0.44 0.66 -1.46 1.64 5.85 -1.67 -3.04 115.31 117.74 1sh8 h LEU 7 Ca 0.64 -0.43 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1sh8 h LEU 7 Cb 1.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1sh8 h LEU 7 CO -0.39 0.95 -0.06 0.00 -0.34 0.00 0.00 178.44 178.59 1sh8 h ALA 8 N 0.73 1.56 -0.27 1.25 0.00 0.68 -1.96 119.26 121.24 1sh8 h ALA 8 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1sh8 h ALA 8 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1sh8 h ALA 8 CO 0.05 0.32 -0.00 0.00 0.00 0.00 0.00 179.25 179.62 1sh8 h ARG 9 N 0.27 0.48 -0.86 0.00 3.08 -0.95 -0.85 114.38 115.55 1sh8 h ARG 9 Ca 0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1sh8 h ARG 9 Cb 0.29 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1sh8 h ARG 9 CO 0.01 0.64 0.46 0.45 -1.07 0.00 0.00 179.97 180.46 1sh8 h HIS 10 N 0.26 1.20 0.32 3.04 3.86 -1.37 -1.43 115.15 121.03 1sh8 h HIS 10 Ca 0.08 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1sh8 h HIS 10 Cb 0.43 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1sh8 h HIS 10 CO 0.04 0.84 -0.22 1.25 0.86 0.00 0.00 177.93 180.69 1sh8 h LEU 11 N 1.21 -0.57 -0.74 2.43 5.85 -1.13 0.10 115.31 122.46 1sh8 h LEU 11 Ca 0.30 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.15 1sh8 h LEU 11 Cb 0.05 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1sh8 h LEU 11 CO -0.05 -0.35 0.39 0.74 -0.34 0.00 0.00 178.44 178.84 1sh8 h THR 12 N -0.54 0.87 0.00 1.05 2.02 -0.86 0.68 112.91 116.15 1sh8 h THR 12 Ca -0.03 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1sh8 h THR 12 Cb 0.46 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1sh8 h THR 12 CO 0.01 0.12 -0.75 -0.33 0.37 0.00 0.00 175.52 174.94 1sh8 h GLU 13 N 0.66 0.00 0.00 6.66 5.08 -1.16 -3.42 114.58 122.41 1sh8 h GLU 13 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1sh8 h GLU 13 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1sh8 h GLU 13 CO -0.26 0.19 -1.02 0.39 -1.00 0.00 0.00 179.01 177.31 1sh8 n GLU 14 N -2.95 1.30 -0.22 2.33 1.02 0.34 -3.39 120.64 119.07 1sh8 n GLU 14 Ca -0.01 -0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.15 1sh8 n GLU 14 Cb 0.66 -1.01 0.14 0.00 -0.02 0.00 0.00 31.44 31.21 1sh8 n GLU 14 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1sh8 h LYS 15 N 0.00 0.33 -4.70 3.49 1.63 -0.99 -3.38 116.57 112.95 1sh8 h LYS 15 Ca -0.00 -0.02 -0.68 0.00 -0.85 0.00 0.00 60.65 59.10 1sh8 h LYS 15 Cb 0.35 -0.07 -0.19 0.00 -0.60 0.00 0.00 32.23 31.71 1sh8 h LYS 15 CO 0.00 0.22 -0.48 0.42 -3.45 0.00 0.00 179.45 176.16 1sh8 s ILE 16 N -6.07 5.28 0.26 2.00 1.01 -1.26 -4.98 121.20 117.43 1sh8 s ILE 16 Ca -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1sh8 s ILE 16 Cb 0.19 -3.72 0.24 0.00 0.01 0.00 0.00 42.46 39.17 1sh8 s ILE 16 CO 0.75 -0.03 1.76 0.00 0.00 0.00 0.00 174.94 177.42 1sh8 h ALA 17 N 8.50 1.24 -0.79 9.38 0.00 -1.95 0.93 119.26 136.57 1sh8 h ALA 17 Ca -0.31 0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1sh8 h ALA 17 Cb 1.15 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1sh8 h ALA 17 CO 0.64 -0.10 0.45 0.35 0.00 0.00 0.00 179.25 180.59 1sh8 h PHE 18 N 0.60 0.82 -0.12 0.00 3.57 -1.94 0.41 116.94 120.28 1sh8 h PHE 18 Ca 0.45 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.86 1sh8 h PHE 18 Cb 0.64 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1sh8 h PHE 18 CO -0.10 0.35 -0.39 0.28 -2.23 0.00 0.00 178.31 176.21 1sh8 h VAL 19 N 0.77 1.37 -0.91 1.41 2.07 -1.50 -3.24 116.25 116.22 1sh8 h VAL 19 Ca 0.38 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 66.26 1sh8 h VAL 19 Cb 0.32 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 32.16 1sh8 h VAL 19 CO -0.23 0.51 0.57 -0.61 0.02 0.00 0.00 177.57 177.82 1sh8 h GLN 20 N 0.06 0.98 0.00 1.57 -0.00 -0.22 -1.27 115.11 116.23 1sh8 h GLN 20 Ca -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1sh8 h GLN 20 Cb 1.02 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.28 1sh8 h GLN 20 CO 0.08 0.65 0.00 0.00 0.00 0.00 0.00 178.83 179.56 1sh8 h ARG 21 N 1.01 0.00 0.00 1.69 3.08 -0.98 -2.57 114.38 116.61 1sh8 h ARG 21 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1sh8 h ARG 21 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1sh8 h ARG 21 CO -0.20 0.00 -0.37 0.66 -1.07 0.00 0.00 179.97 178.99 1sh8 h SER 22 N 0.00 0.00 0.00 7.04 4.64 -1.25 -3.48 113.55 120.50 1sh8 h SER 22 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1sh8 h SER 22 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1sh8 h SER 22 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1sh8 n GLY 23 N 1.25 0.62 3.64 -0.77 0.00 -0.97 -4.60 105.19 104.36 1sh8 n GLY 23 Ca 0.04 -0.04 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1sh8 n GLY 23 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sh8 n LEU 24 N 0.00 2.54 -4.27 0.99 -0.00 -1.25 -4.48 117.00 110.52 1sh8 n LEU 24 Ca 0.00 1.13 -0.26 0.00 -0.00 0.00 0.00 56.01 56.88 1sh8 n LEU 24 Cb 0.00 -1.35 -0.14 0.00 -0.00 0.00 0.00 43.42 41.93 1sh8 n LEU 24 CO 0.00 -0.72 -0.53 -0.13 -0.00 0.00 0.00 177.39 176.01 1sh8 s ARG 25 N -0.07 1.44 -0.26 1.96 1.81 0.11 -4.72 118.95 119.22 1sh8 s ARG 25 Ca 0.73 -0.99 -0.14 0.00 -1.72 0.00 0.00 55.73 53.62 1sh8 s ARG 25 Cb -0.74 -1.58 -0.04 0.00 -0.45 0.00 0.00 34.95 32.14 1sh8 s ARG 25 CO 0.48 0.40 0.31 0.00 -0.68 0.00 0.00 175.30 175.81 1sh8 s ALA 26 N -0.82 3.56 -0.14 2.13 0.00 -1.26 -0.43 121.76 124.80 1sh8 s ALA 26 Ca 0.08 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1sh8 s ALA 26 Cb -0.09 -2.61 -0.25 0.00 0.00 0.00 0.00 23.12 20.17 1sh8 s ALA 26 CO 0.02 -0.56 0.28 0.39 0.00 0.00 0.00 175.76 175.89 1sh8 n GLU 27 N 5.10 0.74 -3.74 0.00 1.02 0.61 -4.93 120.64 119.44 1sh8 n GLU 27 Ca -0.10 0.26 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 1sh8 n GLU 27 Cb 0.51 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 1sh8 n GLU 27 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sh8 s VAL 28 N -2.55 -0.08 -0.45 2.62 1.01 -0.59 -4.95 120.40 115.41 1sh8 s VAL 28 Ca -0.24 0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1sh8 s VAL 28 Cb 0.07 -0.20 0.14 0.00 0.00 0.00 0.00 36.38 36.39 1sh8 s VAL 28 CO 0.74 0.09 0.25 -0.76 0.00 0.00 0.00 175.10 175.43 1sh8 s LEU 29 N 1.31 2.72 0.28 3.92 1.43 -1.26 -0.55 118.68 126.53 1sh8 s LEU 29 Ca -0.07 -2.70 0.08 0.00 -1.03 0.00 0.00 54.13 50.41 1sh8 s LEU 29 Cb -0.12 -1.03 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 1sh8 s LEU 29 CO -0.05 -0.25 -0.10 -1.61 0.23 0.00 0.00 176.35 174.57 1sh8 s GLU 30 N 0.26 1.60 0.15 1.70 2.02 0.10 -4.91 118.70 119.62 1sh8 s GLU 30 Ca 0.19 -1.79 -0.31 0.00 0.02 0.00 0.00 54.97 53.07 1sh8 s GLU 30 Cb -0.22 -1.36 -0.10 0.00 0.10 0.00 0.00 34.13 32.55 1sh8 s GLU 30 CO -0.01 0.13 1.53 -2.14 0.02 0.00 0.00 175.26 174.78 1sh8 s PRO 31 N -3.66 4.24 0.00 0.39 0.02 -1.26 -2.04 135.00 132.69 1sh8 s PRO 31 Ca 0.29 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1sh8 s PRO 31 Cb 0.02 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1sh8 s PRO 31 CO 0.13 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1sh8 n GLY 32 N 3.71 1.25 3.50 0.52 0.00 -1.26 -4.97 105.19 107.94 1sh8 n GLY 32 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1sh8 n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sh8 s TYR 33 N -3.41 -1.11 0.02 1.61 5.04 -0.87 -2.08 117.35 116.55 1sh8 s TYR 33 Ca 0.00 2.00 0.04 0.00 -2.44 0.00 0.00 57.07 56.67 1sh8 s TYR 33 Cb 0.00 0.60 -0.02 0.00 0.35 0.00 0.00 41.96 42.89 1sh8 s TYR 33 CO 0.00 -0.58 -0.13 0.14 -1.34 0.00 0.00 175.55 173.64 1sh8 s VAL 34 N 2.67 0.99 -0.06 3.14 -7.23 -0.58 -0.72 120.40 118.61 1sh8 s VAL 34 Ca -0.05 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1sh8 s VAL 34 Cb -0.11 -0.87 0.03 0.00 0.56 0.00 0.00 36.38 35.98 1sh8 s VAL 34 CO -0.17 0.09 -0.00 -0.60 -0.31 0.00 0.00 175.10 174.11 1sh8 s ARG 35 N -0.79 0.55 0.27 4.82 3.52 0.29 -1.33 118.95 126.28 1sh8 s ARG 35 Ca 0.02 0.08 0.11 0.00 -0.13 0.00 0.00 55.73 55.82 1sh8 s ARG 35 Cb -0.06 -0.84 -0.05 0.00 -1.56 0.00 0.00 34.95 32.43 1sh8 s ARG 35 CO 0.00 -0.24 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.55 1sh8 s LEU 36 N 1.65 2.58 -0.05 -0.88 1.43 -0.66 -0.28 118.68 122.46 1sh8 s LEU 36 Ca -0.00 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1sh8 s LEU 36 Cb -0.13 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1sh8 s LEU 36 CO -0.04 0.00 -0.06 -0.60 0.23 0.00 0.00 176.35 175.89 1sh8 s ARG 37 N -3.52 1.05 -0.25 1.70 3.52 0.43 -1.82 118.95 120.07 1sh8 s ARG 37 Ca 0.28 -0.17 -0.06 0.00 -0.13 0.00 0.00 55.73 55.66 1sh8 s ARG 37 Cb -0.04 -1.01 -0.01 0.00 -1.56 0.00 0.00 34.95 32.32 1sh8 s ARG 37 CO 0.13 -0.08 0.02 1.41 -0.81 0.00 0.00 175.30 175.98 1sh8 s MET 38 N 0.95 3.43 0.48 5.12 -2.45 0.64 -0.71 119.30 126.76 1sh8 s MET 38 Ca -0.10 -0.61 -0.22 0.00 -1.25 0.00 0.00 55.69 53.50 1sh8 s MET 38 Cb -0.14 -3.20 -0.07 0.00 1.25 0.00 0.00 34.83 32.67 1sh8 s MET 38 CO 0.00 -0.24 1.20 -1.25 1.05 0.00 0.00 175.02 175.78 1sh8 s PRO 39 N 1.54 3.62 0.12 4.11 0.04 -1.26 -1.43 135.00 141.73 1sh8 s PRO 39 Ca 0.05 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1sh8 s PRO 39 Cb -0.15 -2.35 -0.11 0.00 0.04 0.00 0.00 34.50 31.93 1sh8 s PRO 39 CO 0.00 -0.69 1.38 0.78 0.04 0.00 0.00 177.00 178.51 1sh8 h GLY 40 N 1.88 0.95 -5.13 0.56 0.00 -1.91 -3.40 103.07 96.01 1sh8 h GLY 40 Ca -0.50 -1.16 -0.55 0.00 0.00 0.00 0.00 47.33 45.12 1sh8 h GLY 40 CO 0.59 1.04 1.06 0.00 0.00 0.00 0.00 176.54 179.23 1sh8 n ALA 41 N -2.58 1.85 0.00 3.60 0.00 -1.26 -1.48 120.51 120.64 1sh8 n ALA 41 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1sh8 n ALA 41 Cb 0.66 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1sh8 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sh8 n GLY 42 N 4.13 2.03 0.59 0.00 0.00 -1.26 -4.86 105.19 105.82 1sh8 n GLY 42 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1sh8 n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sh8 n ASN 43 N 0.00 3.14 -4.79 1.61 5.03 -0.55 -5.04 115.26 114.67 1sh8 n ASN 43 Ca 0.00 -2.58 -0.34 0.00 0.87 0.00 0.00 54.58 52.53 1sh8 n ASN 43 Cb 0.00 -0.36 -0.01 0.00 -1.02 0.00 0.00 39.78 38.39 1sh8 n ASN 43 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1sh8 s GLU 44 N -2.03 3.53 0.00 3.52 2.12 -1.22 -0.53 118.70 124.08 1sh8 s GLU 44 Ca 0.30 1.46 0.00 0.00 0.36 0.00 0.00 54.97 57.09 1sh8 s GLU 44 Cb 0.22 -2.04 0.00 0.00 0.26 0.00 0.00 34.13 32.57 1sh8 s GLU 44 CO 0.09 -0.68 0.00 0.27 -0.54 0.00 0.00 175.26 174.40 1sh8 n ASN 45 N -1.26 0.00 0.00 -1.70 0.23 0.16 -4.53 115.26 108.15 1sh8 n ASN 45 Ca 0.10 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.29 1sh8 n ASN 45 Cb 0.52 0.00 0.60 0.00 -2.08 0.00 0.00 39.78 38.81 1sh8 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sh8 n HIS 46 N 0.00 0.00 -2.16 -2.53 1.44 -1.26 -4.04 115.22 106.67 1sh8 n HIS 46 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1sh8 n HIS 46 Cb 0.00 -0.49 0.09 0.00 0.12 0.00 0.00 29.99 29.71 1sh8 n HIS 46 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1sh8 n ILE 47 N -1.49 1.41 -1.35 0.61 -5.35 -1.26 -5.01 119.36 106.92 1sh8 n ILE 47 Ca 0.07 -2.64 -0.06 0.00 -0.27 0.00 0.00 62.75 59.85 1sh8 n ILE 47 Cb 0.32 0.25 -0.02 0.00 -1.74 0.00 0.00 39.64 38.45 1sh8 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sh8 n GLY 48 N -0.45 0.68 3.23 3.28 0.00 -1.26 -5.04 105.19 105.65 1sh8 n GLY 48 Ca 0.17 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1sh8 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sh8 s SER 49 N -2.90 0.71 0.23 1.61 1.04 -1.26 -4.85 113.70 108.28 1sh8 s SER 49 Ca 0.00 -1.51 -0.31 0.00 0.48 0.00 0.00 55.95 54.61 1sh8 s SER 49 Cb 0.00 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 1sh8 s SER 49 CO 0.00 -0.91 1.54 -0.32 0.98 0.00 0.00 173.24 174.53 1sh8 s MET 50 N -3.92 4.21 0.38 4.02 -2.45 0.76 0.37 119.30 122.67 1sh8 s MET 50 Ca 0.39 2.41 -0.27 0.00 -1.25 0.00 0.00 55.69 56.97 1sh8 s MET 50 Cb 0.05 -3.10 -0.10 0.00 1.25 0.00 0.00 34.83 32.93 1sh8 s MET 50 CO 0.17 -0.56 1.40 -0.47 1.05 0.00 0.00 175.02 176.61 1sh8 s TYR 51 N 0.47 2.72 0.36 4.11 5.04 0.31 -4.66 117.35 125.70 1sh8 s TYR 51 Ca 0.65 1.29 0.12 0.00 -2.44 0.00 0.00 57.07 56.70 1sh8 s TYR 51 Cb -0.44 -3.85 0.92 0.00 0.35 0.00 0.00 41.96 38.94 1sh8 s TYR 51 CO 0.39 -2.52 1.82 0.00 -1.34 0.00 0.00 175.55 173.90 1sh8 h ALA 52 N 2.92 1.96 -0.05 3.97 0.00 -1.92 -0.57 119.26 125.56 1sh8 h ALA 52 Ca -0.50 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1sh8 h ALA 52 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1sh8 h ALA 52 CO 0.64 -0.29 -0.27 0.78 0.00 0.00 0.00 179.25 180.11 1sh8 h GLY 53 N 0.58 0.10 1.21 0.00 0.00 -1.96 0.27 103.07 103.26 1sh8 h GLY 53 Ca 0.52 -0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.54 1sh8 h GLY 53 CO -0.27 0.07 -0.86 0.00 0.00 0.00 0.00 176.54 175.47 1sh8 h ALA 54 N 1.64 0.26 -0.72 3.60 0.00 -1.46 -1.83 119.26 120.75 1sh8 h ALA 54 Ca 0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1sh8 h ALA 54 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1sh8 h ALA 54 CO 0.04 0.69 0.19 -0.07 0.00 0.00 0.00 179.25 180.10 1sh8 h LEU 55 N 0.49 1.09 -0.39 0.00 3.38 -1.10 -1.32 115.31 117.46 1sh8 h LEU 55 Ca -0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1sh8 h LEU 55 Cb 1.50 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1sh8 h LEU 55 CO 0.17 1.03 0.23 0.15 0.09 0.00 0.00 178.44 180.11 1sh8 h PHE 56 N 1.09 0.52 -0.84 1.13 3.57 -0.88 -1.56 116.94 119.98 1sh8 h PHE 56 Ca 0.23 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1sh8 h PHE 56 Cb 0.36 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1sh8 h PHE 56 CO 0.03 0.39 0.55 1.15 -2.23 0.00 0.00 178.31 178.20 1sh8 h THR 57 N 0.51 1.20 -0.82 4.41 2.02 -1.02 0.18 112.91 119.39 1sh8 h THR 57 Ca 0.14 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1sh8 h THR 57 Cb 0.03 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.38 1sh8 h THR 57 CO -0.02 0.20 0.44 0.25 0.37 0.00 0.00 175.52 176.76 1sh8 h LEU 58 N 1.12 1.03 -0.34 2.58 5.85 -0.90 -2.06 115.31 122.59 1sh8 h LEU 58 Ca 0.31 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.78 1sh8 h LEU 58 Cb -0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 1sh8 h LEU 58 CO -0.07 0.83 -0.77 0.00 -0.34 0.00 0.00 178.44 178.09 1sh8 h ALA 59 N 1.33 0.65 0.05 1.25 0.00 -0.41 -3.35 119.26 118.78 1sh8 h ALA 59 Ca 0.29 -0.70 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1sh8 h ALA 59 Cb 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sh8 h ALA 59 CO -0.04 0.96 -0.77 1.49 0.00 0.00 0.00 179.25 180.88 1sh8 h GLU 60 N 0.00 0.44 -0.88 0.00 4.22 -0.37 -3.37 114.58 114.62 1sh8 h GLU 60 Ca -0.01 -0.54 0.13 0.00 0.08 0.00 0.00 59.36 59.02 1sh8 h GLU 60 Cb 1.43 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.78 1sh8 h GLU 60 CO 0.10 1.19 0.57 -0.07 -2.18 0.00 0.00 179.01 178.62 1sh8 h LEU 61 N -0.07 0.70 -2.26 1.64 3.38 -1.51 -1.55 115.31 115.63 1sh8 h LEU 61 Ca -0.11 0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1sh8 h LEU 61 Cb 1.50 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1sh8 h LEU 61 CO 0.15 0.37 0.11 -0.65 0.09 0.00 0.00 178.44 178.51 1sh8 h PRO 62 N 0.75 0.00 0.03 1.13 0.11 -1.74 -1.09 132.00 131.18 1sh8 h PRO 62 Ca 0.43 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.55 1sh8 h PRO 62 Cb 0.61 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1sh8 h PRO 62 CO -0.20 0.00 -0.05 0.78 -0.21 0.00 0.00 178.00 178.32 1sh8 h GLY 63 N 0.00 -0.08 1.08 -0.55 0.00 -1.51 0.95 103.07 102.97 1sh8 h GLY 63 Ca 0.05 0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.23 1sh8 h GLY 63 CO -0.00 -0.06 -0.82 -1.33 0.00 0.00 0.00 176.54 174.33 1sh8 h GLY 64 N -0.11 0.73 0.96 4.60 0.00 -1.52 -2.67 103.07 105.06 1sh8 h GLY 64 Ca 0.01 -1.17 -0.00 0.00 0.00 0.00 0.00 47.33 46.17 1sh8 h GLY 64 CO -0.04 1.04 0.15 0.00 0.00 0.00 0.00 176.54 177.69 1sh8 h ALA 65 N 0.44 0.34 -0.20 3.60 0.00 -1.17 -1.95 119.26 120.33 1sh8 h ALA 65 Ca -0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1sh8 h ALA 65 Cb 1.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1sh8 h ALA 65 CO 0.17 -0.13 -0.28 1.25 0.00 0.00 0.00 179.25 180.25 1sh8 h LEU 66 N 0.32 0.40 -0.13 0.00 5.85 -0.91 -2.37 115.31 118.47 1sh8 h LEU 66 Ca 0.09 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1sh8 h LEU 66 Cb 0.06 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1sh8 h LEU 66 CO -0.02 0.67 0.07 0.15 -0.34 0.00 0.00 178.44 178.98 1sh8 h PHE 67 N 0.35 0.18 0.00 1.25 3.57 -1.12 -1.05 116.94 120.13 1sh8 h PHE 67 Ca 0.05 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1sh8 h PHE 67 Cb 0.68 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1sh8 h PHE 67 CO 0.02 0.21 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.07 1sh8 h LEU 68 N 0.11 0.00 0.00 0.59 3.38 -1.14 0.45 115.31 118.70 1sh8 h LEU 68 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1sh8 h LEU 68 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1sh8 h LEU 68 CO -0.01 0.17 -0.94 0.35 0.09 0.00 0.00 178.44 178.10 1sh8 n THR 69 N -4.27 0.38 -0.02 0.22 -2.24 -0.91 -4.61 114.28 102.83 1sh8 n THR 69 Ca -0.02 -0.37 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1sh8 n THR 69 Cb 0.24 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 1sh8 n THR 69 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sh8 n SER 70 N -2.27 3.92 -4.98 3.42 7.64 -0.41 -4.04 113.62 116.90 1sh8 n SER 70 Ca 0.01 -0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 1sh8 n SER 70 Cb 0.48 0.46 -0.00 0.00 -1.01 0.00 0.00 64.21 64.14 1sh8 n SER 70 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sh8 s PHE 71 N -2.10 3.13 -0.79 1.43 0.08 0.12 -4.95 117.98 114.91 1sh8 s PHE 71 Ca -0.03 -0.14 -0.23 0.00 0.12 0.00 0.00 56.93 56.65 1sh8 s PHE 71 Cb 0.01 -2.06 0.07 0.00 -0.57 0.00 0.00 43.02 40.47 1sh8 s PHE 71 CO 0.16 -0.09 1.13 0.34 -0.10 0.00 0.00 175.22 176.66 1sh8 s ASP 72 N -4.19 6.32 0.14 1.36 -1.08 -1.26 -4.71 116.67 113.25 1sh8 s ASP 72 Ca 0.46 -1.19 0.23 0.00 -0.52 0.00 0.00 52.55 51.52 1sh8 s ASP 72 Cb -0.10 -2.46 0.89 0.00 -1.46 0.00 0.00 42.92 39.80 1sh8 s ASP 72 CO 0.32 -1.44 1.70 -1.54 0.52 0.00 0.00 175.17 174.73 1sh8 n SER 73 N 7.93 0.43 0.17 -0.34 3.41 -1.26 -0.78 113.62 123.18 1sh8 n SER 73 Ca 0.09 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.35 1sh8 n SER 73 Cb 0.48 -0.68 0.08 0.00 -0.26 0.00 0.00 64.21 63.83 1sh8 n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sh8 h ALA 74 N 2.50 0.80 0.00 7.33 0.00 -1.89 -3.35 119.26 124.65 1sh8 h ALA 74 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.40 1sh8 h ALA 74 Cb 0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1sh8 h ALA 74 CO 0.00 0.33 -1.98 -2.13 0.00 0.00 0.00 179.25 175.48 1sh8 n ARG 75 N -3.12 1.63 -4.38 0.00 0.63 -1.01 -4.90 116.66 105.51 1sh8 n ARG 75 Ca 0.02 -0.01 -0.19 0.00 -0.92 0.00 0.00 57.85 56.75 1sh8 n ARG 75 Cb 0.64 -1.37 -0.10 0.00 0.45 0.00 0.00 32.46 32.08 1sh8 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1sh8 s PHE 76 N -2.37 1.74 -0.03 -0.14 0.08 0.04 -1.47 117.98 115.84 1sh8 s PHE 76 Ca -0.07 -1.05 -0.17 0.00 0.12 0.00 0.00 56.93 55.77 1sh8 s PHE 76 Cb 0.04 -1.08 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 1sh8 s PHE 76 CO 0.59 -0.14 0.36 1.52 -0.10 0.00 0.00 175.22 177.44 1sh8 s TYR 77 N -3.51 -0.25 0.15 0.36 -0.85 0.71 -4.32 117.35 109.65 1sh8 s TYR 77 Ca 0.36 0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 57.32 1sh8 s TYR 77 Cb 0.08 0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.51 1sh8 s TYR 77 CO 0.14 -0.40 0.34 -1.25 -1.52 0.00 0.00 175.55 172.86 1sh8 s PRO 78 N -1.20 3.53 -0.08 -3.49 0.04 -1.26 -0.76 135.00 131.78 1sh8 s PRO 78 Ca -0.12 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1sh8 s PRO 78 Cb -0.04 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.63 1sh8 s PRO 78 CO 0.05 0.47 -0.05 0.42 0.04 0.00 0.00 177.00 177.92 1sh8 s ILE 79 N -1.72 0.75 -0.19 0.56 1.01 -0.53 -4.96 121.20 116.11 1sh8 s ILE 79 Ca 0.38 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 1sh8 s ILE 79 Cb -0.12 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1sh8 s ILE 79 CO 0.27 0.30 0.63 0.54 0.00 0.00 0.00 174.94 176.69 1sh8 s VAL 80 N 1.45 5.02 -0.14 2.92 0.11 -1.26 -0.19 120.40 128.31 1sh8 s VAL 80 Ca -0.01 1.19 -0.19 0.00 -2.93 0.00 0.00 61.98 60.04 1sh8 s VAL 80 Cb -0.13 -3.95 -0.24 0.00 -1.53 0.00 0.00 36.38 30.53 1sh8 s VAL 80 CO -0.04 0.11 0.47 0.11 -3.33 0.00 0.00 175.10 172.42 1sh8 h LYS 81 N 7.46 0.14 -2.40 1.54 1.79 -1.06 -3.49 116.57 120.55 1sh8 h LYS 81 Ca -0.32 -0.23 0.11 0.00 -2.18 0.00 0.00 60.65 58.04 1sh8 h LYS 81 Cb 1.14 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.75 1sh8 h LYS 81 CO 0.77 1.11 0.45 -1.83 -1.08 0.00 0.00 179.45 178.88 1sh8 s GLU 82 N -2.41 1.00 -0.01 3.15 -1.05 -1.20 -5.01 118.70 113.16 1sh8 s GLU 82 Ca -0.23 -0.44 -0.01 0.00 -0.15 0.00 0.00 54.97 54.14 1sh8 s GLU 82 Cb 0.04 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1sh8 s GLU 82 CO 0.70 -0.45 0.03 -1.64 0.95 0.00 0.00 175.26 174.86 1sh8 s MET 83 N -3.26 0.04 -0.07 -4.83 -1.94 -1.26 -0.85 119.30 107.13 1sh8 s MET 83 Ca 0.07 0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.14 1sh8 s MET 83 Cb -0.01 0.02 -0.00 0.00 2.01 0.00 0.00 34.83 36.84 1sh8 s MET 83 CO -0.06 -0.00 -0.21 0.99 -0.01 0.00 0.00 175.02 175.73 1sh8 s THR 84 N 0.02 1.75 -0.04 2.05 2.01 0.38 -4.98 115.64 116.83 1sh8 s THR 84 Ca -0.00 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1sh8 s THR 84 Cb -0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1sh8 s THR 84 CO 0.00 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.42 1sh8 s LEU 85 N 0.15 2.15 -0.17 4.42 2.01 -1.26 -1.04 118.68 124.94 1sh8 s LEU 85 Ca -0.09 -0.45 0.01 0.00 0.01 0.00 0.00 54.13 53.61 1sh8 s LEU 85 Cb -0.15 -1.38 0.02 0.00 0.01 0.00 0.00 46.19 44.69 1sh8 s LEU 85 CO 0.05 0.30 -0.17 -0.60 1.01 0.00 0.00 176.35 176.93 1sh8 s ARG 86 N -0.47 2.70 -0.56 1.70 3.52 0.52 -4.98 118.95 121.37 1sh8 s ARG 86 Ca 0.06 -0.73 -0.18 0.00 -0.13 0.00 0.00 55.73 54.75 1sh8 s ARG 86 Cb -0.11 -2.39 0.10 0.00 -1.56 0.00 0.00 34.95 30.99 1sh8 s ARG 86 CO 0.01 -0.23 0.62 -0.06 -0.81 0.00 0.00 175.30 174.83 1sh8 s PHE 87 N 1.37 3.09 -0.05 5.12 0.08 -1.26 -0.99 117.98 125.33 1sh8 s PHE 87 Ca 0.05 -1.01 -0.21 0.00 0.12 0.00 0.00 56.93 55.88 1sh8 s PHE 87 Cb -0.13 -3.85 -0.31 0.00 -0.57 0.00 0.00 43.02 38.15 1sh8 s PHE 87 CO -0.12 -1.16 0.86 0.00 -0.10 0.00 0.00 175.22 174.70 1sh8 h ARG 88 N 9.06 0.31 -3.78 0.44 3.08 -1.41 -3.49 114.38 118.58 1sh8 h ARG 88 Ca -0.29 -0.53 -0.09 0.00 0.07 0.00 0.00 59.98 59.13 1sh8 h ARG 88 Cb 1.09 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 31.19 1sh8 h ARG 88 CO 1.06 1.25 -0.40 1.03 -1.07 0.00 0.00 179.97 181.84 1sh8 s ARG 89 N -2.44 0.79 0.16 0.04 0.52 -0.83 -5.03 118.95 112.15 1sh8 s ARG 89 Ca -0.14 -0.90 -0.33 0.00 -0.52 0.00 0.00 55.73 53.84 1sh8 s ARG 89 Cb 0.01 0.32 -0.13 0.00 0.52 0.00 0.00 34.95 35.67 1sh8 s ARG 89 CO 0.83 -0.24 1.64 -2.30 0.02 0.00 0.00 175.30 175.26 1sh8 n PRO 90 N 0.14 2.34 -3.06 3.54 -0.02 -1.26 -4.74 135.00 131.94 1sh8 n PRO 90 Ca -0.16 0.85 -0.44 0.00 -2.02 0.00 0.00 63.50 61.73 1sh8 n PRO 90 Cb 0.61 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1sh8 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh8 s ALA 91 N 1.21 3.32 -0.02 3.55 0.00 -1.26 -4.97 121.76 123.59 1sh8 s ALA 91 Ca 0.79 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1sh8 s ALA 91 Cb -0.63 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 18.95 1sh8 s ALA 91 CO 0.37 -2.23 -0.04 0.15 0.00 0.00 0.00 175.76 174.01 1sh8 s LYS 92 N 3.04 2.69 1.60 0.00 1.02 -1.26 -0.17 119.74 126.66 1sh8 s LYS 92 Ca 0.18 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1sh8 s LYS 92 Cb -0.19 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1sh8 s LYS 92 CO 0.12 0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 1sh8 n GLY 93 N 1.70 -1.56 3.76 -3.33 0.00 -1.26 -4.58 105.19 99.92 1sh8 n GLY 93 Ca -0.16 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 1sh8 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sh8 s ASP 94 N -4.00 7.17 -0.04 1.61 1.01 -1.26 -3.59 116.67 117.57 1sh8 s ASP 94 Ca 0.00 2.33 0.05 0.00 0.71 0.00 0.00 52.55 55.64 1sh8 s ASP 94 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1sh8 s ASP 94 CO 0.00 -0.23 -0.18 -0.63 0.21 0.00 0.00 175.17 174.34 1sh8 s ILE 95 N -1.01 2.74 0.27 0.77 -1.09 -0.51 -3.66 121.20 118.71 1sh8 s ILE 95 Ca 0.46 -0.85 0.08 0.00 -2.23 0.00 0.00 60.65 58.11 1sh8 s ILE 95 Cb -0.33 -2.04 -0.06 0.00 -1.58 0.00 0.00 42.46 38.45 1sh8 s ILE 95 CO 0.42 0.59 -0.11 -0.13 -1.23 0.00 0.00 174.94 174.48 1sh8 s ARG 96 N -0.70 1.57 -0.08 2.79 0.52 0.10 -0.26 118.95 122.89 1sh8 s ARG 96 Ca 0.11 -1.76 -0.10 0.00 -0.52 0.00 0.00 55.73 53.45 1sh8 s ARG 96 Cb -0.10 -1.34 0.02 0.00 0.52 0.00 0.00 34.95 34.05 1sh8 s ARG 96 CO 0.00 0.13 0.27 0.54 0.02 0.00 0.00 175.30 176.27 1sh8 s VAL 97 N -2.85 0.02 -0.01 3.52 0.11 -0.75 -0.82 120.40 119.62 1sh8 s VAL 97 Ca 0.28 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.26 1sh8 s VAL 97 Cb 0.01 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1sh8 s VAL 97 CO 0.12 -0.09 -0.26 -1.61 -3.33 0.00 0.00 175.10 169.94 1sh8 s GLU 98 N -0.28 2.01 -0.02 1.54 2.02 -1.26 -1.66 118.70 121.05 1sh8 s GLU 98 Ca -0.04 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.00 1sh8 s GLU 98 Cb -0.03 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.22 1sh8 s GLU 98 CO 0.01 0.54 -0.01 0.00 0.02 0.00 0.00 175.26 175.82 1sh8 s ALA 99 N -0.64 0.32 0.10 5.21 0.00 -0.44 -4.63 121.76 121.67 1sh8 s ALA 99 Ca 0.10 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1sh8 s ALA 99 Cb -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1sh8 s ALA 99 CO -0.00 -0.02 -0.11 1.03 0.00 0.00 0.00 175.76 176.66 1sh8 s ARG 100 N 0.62 0.87 -0.29 0.00 0.52 -1.26 -1.53 118.95 117.88 1sh8 s ARG 100 Ca -0.06 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.04 1sh8 s ARG 100 Cb -0.09 -0.64 0.20 0.00 0.52 0.00 0.00 34.95 34.93 1sh8 s ARG 100 CO -0.01 0.11 0.66 -0.51 0.02 0.00 0.00 175.30 175.58 1sh8 s LEU 101 N -2.33 -1.44 0.78 2.53 1.43 -0.88 -4.99 118.68 113.78 1sh8 s LEU 101 Ca 0.05 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 1sh8 s LEU 101 Cb -0.04 1.91 0.07 0.00 0.03 0.00 0.00 46.19 48.15 1sh8 s LEU 101 CO 0.01 -0.26 1.15 1.51 0.23 0.00 0.00 176.35 178.99 1sh8 s ASP 102 N 2.82 4.01 0.42 2.29 1.47 -1.26 -4.09 116.67 122.33 1sh8 s ASP 102 Ca 0.13 2.16 0.13 0.00 1.18 0.00 0.00 52.55 56.15 1sh8 s ASP 102 Cb -0.09 -2.56 0.98 0.00 -0.34 0.00 0.00 42.92 40.91 1sh8 s ASP 102 CO -0.25 -2.38 1.95 0.00 0.68 0.00 0.00 175.17 175.17 1sh8 h ALA 103 N -0.86 1.99 -0.40 2.11 0.00 -1.95 -1.44 119.26 118.71 1sh8 h ALA 103 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1sh8 h ALA 103 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1sh8 h ALA 103 CO 0.48 -0.14 0.19 1.49 0.00 0.00 0.00 179.25 181.27 1sh8 h GLU 104 N 0.48 0.57 -0.84 0.00 4.81 -2.00 -0.28 114.58 117.33 1sh8 h GLU 104 Ca 0.32 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1sh8 h GLU 104 Cb 0.60 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1sh8 h GLU 104 CO -0.10 0.50 0.38 -0.09 -0.73 0.00 0.00 179.01 178.97 1sh8 h ARG 105 N 0.50 1.23 -0.78 1.92 9.65 -1.64 -1.63 114.38 123.62 1sh8 h ARG 105 Ca 0.14 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1sh8 h ARG 105 Cb 0.12 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 1sh8 h ARG 105 CO -0.02 0.96 0.32 0.82 2.80 0.00 0.00 179.97 184.85 1sh8 h ILE 106 N 1.21 1.26 -0.31 1.20 1.08 -0.94 -1.24 117.51 119.77 1sh8 h ILE 106 Ca 0.29 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 1sh8 h ILE 106 Cb 0.15 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1sh8 h ILE 106 CO -0.03 0.33 0.11 0.03 -0.69 0.00 0.00 178.15 177.90 1sh8 h ARG 107 N 1.13 0.48 0.10 2.37 3.08 -0.49 -0.07 114.38 120.97 1sh8 h ARG 107 Ca 0.26 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1sh8 h ARG 107 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1sh8 h ARG 107 CO -0.02 0.51 -0.12 1.96 -1.07 0.00 0.00 179.97 181.23 1sh8 h GLN 108 N 0.35 -0.24 -0.41 0.04 4.20 -1.09 -0.20 115.11 117.76 1sh8 h GLN 108 Ca 0.10 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.85 1sh8 h GLN 108 Cb 0.22 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1sh8 h GLN 108 CO -0.01 -0.16 0.23 -0.07 -0.67 0.00 0.00 178.83 178.16 1sh8 h LEU 109 N -0.25 0.37 -1.13 1.46 3.38 -1.12 -1.30 115.31 116.72 1sh8 h LEU 109 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1sh8 h LEU 109 Cb 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1sh8 h LEU 109 CO -0.05 0.27 -0.37 -0.33 0.09 0.00 0.00 178.44 178.04 1sh8 h GLU 110 N 0.47 0.00 -0.01 1.13 5.08 -0.88 0.13 114.58 120.51 1sh8 h GLU 110 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1sh8 h GLU 110 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1sh8 h GLU 110 CO -0.09 0.37 -0.00 1.15 -1.00 0.00 0.00 179.01 179.45 1sh8 h THR 111 N 0.00 1.26 -0.39 1.13 2.02 -0.51 0.11 112.91 116.52 1sh8 h THR 111 Ca -0.00 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1sh8 h THR 111 Cb 0.79 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1sh8 h THR 111 CO 0.05 0.20 0.20 -0.08 0.37 0.00 0.00 175.52 176.26 1sh8 h GLU 112 N -0.31 0.56 -0.82 6.66 4.81 -1.00 -0.62 114.58 123.87 1sh8 h GLU 112 Ca 0.00 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1sh8 h GLU 112 Cb 0.33 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1sh8 h GLU 112 CO 0.00 0.49 0.40 0.00 -0.73 0.00 0.00 179.01 179.17 1sh8 h ALA 113 N 1.05 1.05 -0.21 2.92 0.00 -0.69 1.00 119.26 124.37 1sh8 h ALA 113 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sh8 h ALA 113 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1sh8 h ALA 113 CO -0.02 0.61 0.01 0.78 0.00 0.00 0.00 179.25 180.64 1sh8 h GLY 114 N 1.16 0.39 0.56 0.00 0.00 -0.47 0.42 103.07 105.13 1sh8 h GLY 114 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sh8 h GLY 114 CO -0.04 0.26 -0.04 0.83 0.00 0.00 0.00 176.54 177.55 1sh8 h GLU 115 N 0.14 -0.11 -0.01 4.80 5.08 -0.95 -3.34 114.58 120.20 1sh8 h GLU 115 Ca 0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sh8 h GLU 115 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sh8 h GLU 115 CO 0.01 0.31 -0.34 0.54 -1.00 0.00 0.00 179.01 178.53 1sh8 n ARG 116 N -4.94 1.06 0.00 2.33 1.74 0.33 -4.96 116.66 112.22 1sh8 n ARG 116 Ca -0.08 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 1sh8 n ARG 116 Cb 0.24 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1sh8 n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sh8 n GLY 117 N 1.37 2.80 3.49 -0.13 0.00 0.15 -4.98 105.19 107.89 1sh8 n GLY 117 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1sh8 n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sh8 s LYS 118 N -0.56 0.98 -0.03 1.61 -2.85 -1.08 -2.90 119.74 114.92 1sh8 s LYS 118 Ca 0.00 -0.19 -0.11 0.00 -1.00 0.00 0.00 55.97 54.67 1sh8 s LYS 118 Cb 0.00 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1sh8 s LYS 118 CO 0.00 -0.39 0.23 0.00 0.10 0.00 0.00 175.35 175.29 1sh8 s ALA 119 N -2.70 -0.58 -0.04 0.59 0.00 -0.31 -4.02 121.76 114.69 1sh8 s ALA 119 Ca -0.00 0.27 -0.00 0.00 0.00 0.00 0.00 51.96 52.23 1sh8 s ALA 119 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1sh8 s ALA 119 CO -0.05 -0.20 0.00 -2.00 0.00 0.00 0.00 175.76 173.51 1sh8 s GLU 120 N -0.95 2.90 0.20 0.00 2.12 -1.26 0.13 118.70 121.84 1sh8 s GLU 120 Ca -0.10 -0.50 -0.17 0.00 0.36 0.00 0.00 54.97 54.56 1sh8 s GLU 120 Cb -0.05 -2.74 0.02 0.00 0.26 0.00 0.00 34.13 31.62 1sh8 s GLU 120 CO 0.02 0.66 0.51 1.52 -0.54 0.00 0.00 175.26 177.43 1sh8 s TYR 121 N -0.99 -0.05 0.16 5.30 -0.85 -0.55 -4.95 117.35 115.42 1sh8 s TYR 121 Ca 0.17 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.39 1sh8 s TYR 121 Cb -0.11 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.55 1sh8 s TYR 121 CO 0.07 -0.91 0.13 -1.54 -1.52 0.00 0.00 175.55 171.77 1sh8 s SER 122 N -2.89 0.20 -0.09 -0.18 1.04 -1.26 0.01 113.70 110.53 1sh8 s SER 122 Ca 0.11 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.35 1sh8 s SER 122 Cb -0.01 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1sh8 s SER 122 CO -0.02 -0.81 -0.09 -0.76 0.98 0.00 0.00 173.24 172.55 1sh8 s LEU 123 N -3.07 1.33 -0.30 2.42 1.43 -0.54 -4.97 118.68 114.99 1sh8 s LEU 123 Ca 0.27 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1sh8 s LEU 123 Cb 0.06 -0.78 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1sh8 s LEU 123 CO 0.05 -0.06 -0.01 -1.61 0.23 0.00 0.00 176.35 174.94 1sh8 s GLU 124 N 1.28 2.25 0.29 1.70 2.02 -1.26 -0.70 118.70 124.27 1sh8 s GLU 124 Ca -0.03 -1.40 0.10 0.00 0.02 0.00 0.00 54.97 53.66 1sh8 s GLU 124 Cb -0.14 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.92 1sh8 s GLU 124 CO -0.03 -0.67 -0.02 -0.51 0.02 0.00 0.00 175.26 174.04 1sh8 s LEU 125 N 1.16 3.06 -0.12 1.80 1.43 0.00 -4.96 118.68 121.07 1sh8 s LEU 125 Ca -0.04 -0.78 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1sh8 s LEU 125 Cb -0.20 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1sh8 s LEU 125 CO -0.03 -0.06 -0.20 -1.10 0.23 0.00 0.00 176.35 175.19 1sh8 s GLN 126 N -3.67 2.68 -0.18 1.70 -0.21 -1.26 -1.17 119.66 117.55 1sh8 s GLN 126 Ca 0.32 -0.74 -0.13 0.00 0.02 0.00 0.00 55.36 54.83 1sh8 s GLN 126 Cb -0.05 -2.16 -0.05 0.00 1.00 0.00 0.00 33.01 31.76 1sh8 s GLN 126 CO 0.19 0.02 0.28 -0.51 -2.12 0.00 0.00 175.29 173.15 1sh8 s LEU 127 N 0.75 4.20 0.11 2.90 1.02 0.63 -4.34 118.68 123.95 1sh8 s LEU 127 Ca -0.10 0.42 0.10 0.00 0.02 0.00 0.00 54.13 54.57 1sh8 s LEU 127 Cb -0.16 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1sh8 s LEU 127 CO 0.01 0.07 -0.26 0.42 0.02 0.00 0.00 176.35 176.61 1sh8 s THR 128 N 0.71 2.16 0.75 5.49 -4.23 0.00 -0.66 115.64 119.87 1sh8 s THR 128 Ca 0.15 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 1sh8 s THR 128 Cb -0.13 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 71.95 1sh8 s THR 128 CO 0.04 0.13 1.04 1.51 -0.54 0.00 0.00 174.62 176.80 1sh8 s ASP 129 N -1.86 4.15 0.58 3.99 1.47 -0.27 -0.72 116.67 124.00 1sh8 s ASP 129 Ca 0.13 -0.46 0.28 0.00 1.18 0.00 0.00 52.55 53.68 1sh8 s ASP 129 Cb -0.10 0.19 1.52 0.00 -0.34 0.00 0.00 42.92 44.18 1sh8 s ASP 129 CO 0.05 -2.01 1.98 -0.08 0.68 0.00 0.00 175.17 175.78 1sh8 h GLU 130 N -0.64 0.00 -0.27 2.11 4.81 -1.81 0.58 114.58 119.36 1sh8 h GLU 130 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1sh8 h GLU 130 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1sh8 h GLU 130 CO 0.37 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.69 1sh8 n GLN 131 N -3.88 2.06 -0.72 1.92 3.00 -1.26 -4.92 117.38 113.58 1sh8 n GLN 131 Ca 0.07 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 1sh8 n GLN 131 Cb 0.56 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.36 1sh8 n GLN 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sh8 n GLY 132 N 1.28 0.73 3.75 1.08 0.00 0.20 -5.04 105.19 107.19 1sh8 n GLY 132 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1sh8 n GLY 132 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sh8 s GLU 133 N -0.28 4.83 -0.47 1.61 2.56 -1.26 -4.76 118.70 120.93 1sh8 s GLU 133 Ca 0.00 1.53 -0.29 0.00 0.00 0.00 0.00 54.97 56.21 1sh8 s GLU 133 Cb 0.00 -3.27 0.03 0.00 2.00 0.00 0.00 34.13 32.89 1sh8 s GLU 133 CO 0.00 0.47 1.14 0.08 -0.56 0.00 0.00 175.26 176.39 1sh8 s VAL 134 N -1.15 4.21 -0.16 3.70 1.01 -1.26 -1.11 120.40 125.63 1sh8 s VAL 134 Ca 0.42 1.24 0.20 0.00 0.00 0.00 0.00 61.98 63.83 1sh8 s VAL 134 Cb -0.27 -4.59 -0.11 0.00 0.00 0.00 0.00 36.38 31.42 1sh8 s VAL 134 CO 0.33 -0.99 0.85 1.33 0.00 0.00 0.00 175.10 176.62 1sh8 n VAL 135 N 6.81 0.84 -3.47 2.92 0.24 0.17 -4.50 118.33 121.33 1sh8 n VAL 135 Ca 0.12 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 1sh8 n VAL 135 Cb 0.49 -0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 1sh8 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sh8 s ALA 136 N -3.15 -1.58 0.02 2.33 0.00 -1.17 -1.07 121.76 117.13 1sh8 s ALA 136 Ca -0.03 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1sh8 s ALA 136 Cb 0.09 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1sh8 s ALA 136 CO 0.81 -0.63 -0.12 -1.21 0.00 0.00 0.00 175.76 174.62 1sh8 s GLU 137 N -2.93 0.85 0.11 0.00 2.02 -0.16 -0.27 118.70 118.31 1sh8 s GLU 137 Ca -0.03 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.44 1sh8 s GLU 137 Cb -0.01 -0.82 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1sh8 s GLU 137 CO -0.06 0.21 -0.14 -1.54 0.02 0.00 0.00 175.26 173.76 1sh8 s SER 138 N -0.76 1.89 -0.05 -0.19 1.04 -0.31 -0.36 113.70 114.96 1sh8 s SER 138 Ca 0.02 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 1sh8 s SER 138 Cb -0.06 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.03 1sh8 s SER 138 CO 0.00 -0.14 0.03 0.00 0.98 0.00 0.00 173.24 174.11 1sh8 s ALA 139 N -1.97 0.45 -0.08 5.32 0.00 -0.21 -0.82 121.76 124.46 1sh8 s ALA 139 Ca 0.06 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1sh8 s ALA 139 Cb -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1sh8 s ALA 139 CO 0.03 -0.41 -0.21 0.00 0.00 0.00 0.00 175.76 175.17 1sh8 s ALA 140 N 1.90 1.88 -0.26 0.00 0.00 0.12 -0.47 121.76 124.93 1sh8 s ALA 140 Ca 0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 1sh8 s ALA 140 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1sh8 s ALA 140 CO -0.04 0.28 0.14 -1.17 0.00 0.00 0.00 175.76 174.97 1sh8 s LEU 141 N 0.27 3.84 0.25 0.00 2.96 -0.03 -1.47 118.68 124.50 1sh8 s LEU 141 Ca -0.13 -0.04 0.11 0.00 -0.22 0.00 0.00 54.13 53.85 1sh8 s LEU 141 Cb -0.16 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1sh8 s LEU 141 CO 0.06 -0.01 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.60 1sh8 s TYR 142 N 1.49 2.38 -0.15 5.38 2.02 0.10 -0.37 117.35 128.20 1sh8 s TYR 142 Ca 0.06 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1sh8 s TYR 142 Cb -0.15 -1.07 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 1sh8 s TYR 142 CO 0.07 0.65 -0.09 -1.14 -1.57 0.00 0.00 175.55 173.46 1sh8 s GLN 143 N -3.32 1.81 -0.16 -0.62 0.74 0.73 -1.48 119.66 117.37 1sh8 s GLN 143 Ca 0.28 -0.51 -0.27 0.00 0.05 0.00 0.00 55.36 54.91 1sh8 s GLN 143 Cb -0.06 -1.99 -0.01 0.00 1.10 0.00 0.00 33.01 32.04 1sh8 s GLN 143 CO 0.15 -0.33 0.90 -1.17 -0.55 0.00 0.00 175.29 174.28 1sh8 s LEU 144 N 1.57 4.18 -0.03 3.68 2.96 0.36 -1.46 118.68 129.95 1sh8 s LEU 144 Ca 0.03 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 55.29 1sh8 s LEU 144 Cb -0.14 -3.35 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1sh8 s LEU 144 CO -0.09 -0.44 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.14 1sh8 s ARG 145 N 2.22 2.21 0.04 1.98 1.81 0.06 -1.16 118.95 126.11 1sh8 s ARG 145 Ca 0.41 -0.87 -0.12 0.00 -1.72 0.00 0.00 55.73 53.43 1sh8 s ARG 145 Cb -0.17 -2.12 -0.06 0.00 -0.45 0.00 0.00 34.95 32.15 1sh8 s ARG 145 CO 0.13 0.57 0.39 -1.54 -0.68 0.00 0.00 175.30 174.18 1sh8 s SER 146 N -0.63 6.70 0.00 0.23 1.04 -1.14 -0.21 113.70 119.69 1sh8 s SER 146 Ca 0.10 0.85 0.20 0.00 0.48 0.00 0.00 55.95 57.58 1sh8 s SER 146 Cb -0.10 -2.20 1.17 0.00 0.10 0.00 0.00 66.02 64.99 1sh8 s SER 146 CO -0.01 0.24 1.56 1.41 0.98 0.00 0.00 173.24 177.43