#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s89 n GLU 2 N 0.00 2.32 -4.48 3.17 4.71 -1.26 -4.94 120.64 120.16 1s89 n GLU 2 Ca 0.00 0.82 -0.21 0.00 -0.01 0.00 0.00 57.16 57.76 1s89 n GLU 2 Cb 0.00 -2.51 -0.15 0.00 -1.01 0.00 0.00 31.44 27.77 1s89 n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1s89 s LEU 3 N -0.54 1.85 0.00 -4.62 1.43 -1.26 -1.51 118.68 114.03 1s89 s LEU 3 Ca 0.62 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1s89 s LEU 3 Cb -0.57 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1s89 s LEU 3 CO 0.54 0.09 0.00 1.07 0.23 0.00 0.00 176.35 178.28 1s89 n THR 4 N 3.17 0.00 -4.33 5.49 5.66 0.58 -4.79 114.28 120.06 1s89 n THR 4 Ca -0.17 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.59 1s89 n THR 4 Cb 0.54 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.20 1s89 n THR 4 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1s89 s THR 5 N -0.41 1.87 0.01 1.09 2.01 -1.26 -1.47 115.64 117.48 1s89 s THR 5 Ca 0.00 -1.75 -0.01 0.00 0.31 0.00 0.00 61.69 60.25 1s89 s THR 5 Cb 0.00 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 1s89 s THR 5 CO 0.00 -0.14 -0.00 -0.60 -0.69 0.00 0.00 174.62 173.19 1s89 s ARG 6 N -2.31 0.25 -0.25 4.92 3.52 -0.50 -4.92 118.95 119.67 1s89 s ARG 6 Ca 0.12 -0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1s89 s ARG 6 Cb -0.08 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 1s89 s ARG 6 CO 0.06 -0.04 0.05 0.99 -0.81 0.00 0.00 175.30 175.54 1s89 s THR 7 N -1.06 4.07 -0.10 4.11 2.01 -1.26 -0.77 115.64 122.63 1s89 s THR 7 Ca -0.12 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1s89 s THR 7 Cb -0.07 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1s89 s THR 7 CO -0.00 0.34 1.14 -0.76 -0.69 0.00 0.00 174.62 174.64 1s89 s LEU 8 N 1.58 4.24 0.67 4.42 1.43 0.46 -4.88 118.68 126.60 1s89 s LEU 8 Ca 0.06 1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.66 1s89 s LEU 8 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1s89 s LEU 8 CO 0.02 -0.58 1.28 -2.16 0.23 0.00 0.00 176.35 175.14 1s89 s PRO 9 N 2.45 2.40 0.25 1.29 0.04 -1.26 -1.65 135.00 138.53 1s89 s PRO 9 Ca 0.52 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 1s89 s PRO 9 Cb -0.21 -1.83 0.42 0.00 0.04 0.00 0.00 34.50 32.91 1s89 s PRO 9 CO 0.18 -1.70 1.83 0.00 0.04 0.00 0.00 177.00 177.34 1s89 h ALA 10 N 0.31 1.26 -2.20 8.56 0.00 -1.84 -3.30 119.26 122.04 1s89 h ALA 10 Ca -0.50 0.02 -0.69 0.00 0.00 0.00 0.00 54.91 53.74 1s89 h ALA 10 Cb 1.33 -0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 1s89 h ALA 10 CO 0.52 0.17 -0.04 0.50 0.00 0.00 0.00 179.25 180.40 1s89 s ARG 11 N -6.02 3.13 0.37 0.00 3.52 -1.26 -4.11 118.95 114.58 1s89 s ARG 11 Ca -0.12 -0.80 -0.16 0.00 -0.13 0.00 0.00 55.73 54.52 1s89 s ARG 11 Cb 0.20 -4.04 -0.09 0.00 -1.56 0.00 0.00 34.95 29.46 1s89 s ARG 11 CO 0.79 -1.07 0.81 0.15 -0.81 0.00 0.00 175.30 175.17 1s89 s LYS 12 N 2.45 4.04 -0.44 5.12 -0.14 -1.24 -4.85 119.74 124.68 1s89 s LYS 12 Ca 0.15 0.78 -0.15 0.00 -1.36 0.00 0.00 55.97 55.38 1s89 s LYS 12 Cb -0.18 -2.35 0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1s89 s LYS 12 CO 0.13 0.07 0.35 -1.01 -0.76 0.00 0.00 175.35 174.13 1s89 s HIS 13 N -2.10 3.24 -0.14 3.18 3.76 -1.26 -1.03 115.29 120.93 1s89 s HIS 13 Ca 0.56 -0.71 -0.06 0.00 -0.15 0.00 0.00 55.06 54.70 1s89 s HIS 13 Cb -0.10 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 1s89 s HIS 13 CO 0.18 -0.68 0.08 0.42 -0.85 0.00 0.00 174.74 173.89 1s89 s ILE 14 N 1.69 4.96 -0.19 0.60 1.01 0.92 -0.80 121.20 129.39 1s89 s ILE 14 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1s89 s ILE 14 Cb -0.21 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1s89 s ILE 14 CO 0.09 0.55 0.04 0.00 0.00 0.00 0.00 174.94 175.62 1s89 s ALA 15 N -0.44 3.28 -0.18 9.38 0.00 -0.46 -0.08 121.76 133.27 1s89 s ALA 15 Ca 0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 1s89 s ALA 15 Cb -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1s89 s ALA 15 CO 0.02 0.09 -0.15 -0.51 0.00 0.00 0.00 175.76 175.21 1s89 s LEU 16 N 0.55 2.40 -0.01 0.00 1.43 0.74 -1.34 118.68 122.45 1s89 s LEU 16 Ca 0.02 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1s89 s LEU 16 Cb -0.13 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1s89 s LEU 16 CO 0.01 0.02 0.02 -0.69 0.23 0.00 0.00 176.35 175.95 1s89 s VAL 17 N 1.21 -0.03 -0.09 -1.59 1.01 -0.01 -3.29 120.40 117.61 1s89 s VAL 17 Ca 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1s89 s VAL 17 Cb -0.14 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1s89 s VAL 17 CO -0.07 0.04 0.26 0.00 0.00 0.00 0.00 175.10 175.33 1s89 s ALA 18 N 0.52 -0.65 0.56 5.51 0.00 -1.26 -1.07 121.76 125.37 1s89 s ALA 18 Ca -0.04 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 1s89 s ALA 18 Cb -0.06 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1s89 s ALA 18 CO -0.02 -0.14 1.02 -1.01 0.00 0.00 0.00 175.76 175.61 1s89 s HIS 19 N 0.01 3.31 0.30 0.00 3.76 -0.79 -4.76 115.29 117.11 1s89 s HIS 19 Ca -0.01 1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 56.35 1s89 s HIS 19 Cb -0.02 -2.86 0.68 0.00 1.11 0.00 0.00 32.58 31.49 1s89 s HIS 19 CO 0.01 -0.67 1.58 -0.44 -0.85 0.00 0.00 174.74 174.36 1s89 h ASP 20 N 0.58 -0.52 0.00 1.40 5.19 -2.01 0.40 116.42 121.47 1s89 h ASP 20 Ca -0.46 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1s89 h ASP 20 Cb 1.20 0.49 0.00 0.00 0.18 0.00 0.00 39.33 41.19 1s89 h ASP 20 CO 0.60 -0.33 0.00 1.41 -3.12 0.00 0.00 179.24 177.80 1s89 n HIS 21 N -5.49 0.00 0.29 4.55 8.25 -1.26 -3.02 115.22 118.54 1s89 n HIS 21 Ca 0.21 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.70 1s89 n HIS 21 Cb 0.69 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.78 1s89 n HIS 21 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s89 h LYS 23 N 0.26 0.22 -0.76 0.00 1.57 -1.18 -0.80 116.57 115.88 1s89 h LYS 23 Ca 0.00 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1s89 h LYS 23 Cb 0.17 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1s89 h LYS 23 CO 0.00 0.15 0.50 1.96 -0.57 0.00 0.00 179.45 181.49 1s89 h GLN 24 N 0.23 0.94 0.27 3.15 1.08 -1.84 0.10 115.11 119.04 1s89 h GLN 24 Ca 0.25 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1s89 h GLN 24 Cb 0.34 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1s89 h GLN 24 CO -0.34 0.62 -0.13 0.52 -0.95 0.00 0.00 178.83 178.55 1s89 h MET 25 N 0.97 -0.35 -0.76 1.46 2.86 -1.50 -1.86 114.93 115.74 1s89 h MET 25 Ca 0.30 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.99 1s89 h MET 25 Cb -0.01 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1s89 h MET 25 CO -0.08 -0.17 0.49 1.25 1.06 0.00 0.00 176.91 179.46 1s89 h LEU 26 N -0.47 0.81 0.10 1.22 5.85 -0.75 -1.59 115.31 120.49 1s89 h LEU 26 Ca -0.04 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1s89 h LEU 26 Cb 0.35 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1s89 h LEU 26 CO 0.06 0.57 -0.25 0.24 -0.34 0.00 0.00 178.44 178.72 1s89 h MET 27 N 0.96 -0.43 -0.03 1.25 2.86 -0.68 0.13 114.93 118.99 1s89 h MET 27 Ca 0.30 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.99 1s89 h MET 27 Cb -0.02 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1s89 h MET 27 CO -0.10 -0.29 -0.11 0.77 1.06 0.00 0.00 176.91 178.25 1s89 h SER 28 N -0.44 -0.32 -0.43 1.22 0.02 -1.13 0.84 113.55 113.30 1s89 h SER 28 Ca 0.03 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1s89 h SER 28 Cb 0.48 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.08 1s89 h SER 28 CO -0.15 -0.15 -0.04 -0.25 -1.14 0.00 0.00 176.83 175.09 1s89 h TRP 29 N -0.17 -0.11 -0.33 3.45 7.01 -1.03 0.80 115.95 125.58 1s89 h TRP 29 Ca 0.05 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.10 1s89 h TRP 29 Cb 0.24 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.39 1s89 h TRP 29 CO -0.19 -0.13 0.20 0.28 -2.79 0.00 0.00 178.44 175.82 1s89 h VAL 30 N 0.06 1.05 -0.75 2.65 2.07 -0.24 -2.49 116.25 118.60 1s89 h VAL 30 Ca 0.21 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1s89 h VAL 30 Cb 0.32 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1s89 h VAL 30 CO -0.40 0.08 0.49 -0.33 0.02 0.00 0.00 177.57 177.43 1s89 h GLU 31 N 0.41 0.98 0.00 1.57 5.08 0.24 0.12 114.58 122.99 1s89 h GLU 31 Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1s89 h GLU 31 Cb -0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1s89 h GLU 31 CO -0.05 0.65 -0.10 0.00 -1.00 0.00 0.00 179.01 178.51 1s89 h ARG 32 N 1.01 0.00 -0.15 2.33 3.08 -0.59 -3.02 114.38 117.04 1s89 h ARG 32 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1s89 h ARG 32 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1s89 h ARG 32 CO -0.06 0.10 0.00 0.72 -1.07 0.00 0.00 179.97 179.65 1s89 n HIS 33 N -3.60 0.20 -0.32 3.04 8.25 -0.83 -4.83 115.22 117.13 1s89 n HIS 33 Ca -0.02 -0.50 0.03 0.00 -0.26 0.00 0.00 57.72 56.98 1s89 n HIS 33 Cb 0.22 -0.04 0.11 0.00 1.12 0.00 0.00 29.99 31.40 1s89 n HIS 33 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1s89 h GLN 34 N 0.87 -0.01 -0.98 -0.41 4.15 -0.65 0.70 115.11 118.78 1s89 h GLN 34 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 1s89 h GLN 34 Cb 0.60 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.20 1s89 h GLN 34 CO 0.00 -0.01 0.61 -1.35 -1.93 0.00 0.00 178.83 176.16 1s89 h PRO 35 N -0.01 0.77 0.07 -2.39 0.11 -1.88 -0.80 132.00 127.88 1s89 h PRO 35 Ca 0.41 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 66.23 1s89 h PRO 35 Cb 0.65 -0.17 0.02 0.00 0.11 0.00 0.00 31.00 31.61 1s89 h PRO 35 CO -0.92 0.51 -1.02 1.25 -0.21 0.00 0.00 178.00 177.60 1s89 h LEU 36 N 0.79 0.77 -1.36 2.35 5.85 -1.28 -3.30 115.31 119.13 1s89 h LEU 36 Ca 0.53 -0.81 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1s89 h LEU 36 Cb 0.78 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1s89 h LEU 36 CO -0.31 1.49 0.00 -0.07 -0.34 0.00 0.00 178.44 179.22 1s89 h LEU 37 N 0.15 0.40 -0.98 2.25 3.38 -0.71 -2.29 115.31 117.51 1s89 h LEU 37 Ca -0.15 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1s89 h LEU 37 Cb 1.72 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1s89 h LEU 37 CO 0.20 0.46 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 1s89 n GLU 38 N -4.32 0.11 0.04 1.13 1.02 -0.36 -0.82 120.64 117.45 1s89 n GLU 38 Ca 0.01 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 1s89 n GLU 38 Cb 0.22 -1.84 0.33 0.00 -0.02 0.00 0.00 31.44 30.13 1s89 n GLU 38 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1s89 n GLN 39 N -2.07 0.16 -4.16 3.49 1.13 -0.86 -4.90 117.38 110.17 1s89 n GLN 39 Ca -0.00 0.08 -0.26 0.00 -1.94 0.00 0.00 57.00 54.87 1s89 n GLN 39 Cb 0.06 -1.63 -0.06 0.00 0.11 0.00 0.00 30.24 28.73 1s89 n GLN 39 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1s89 s HIS 40 N -3.08 2.25 -0.19 1.08 3.76 0.00 -4.83 115.29 114.28 1s89 s HIS 40 Ca 0.10 -0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 54.11 1s89 s HIS 40 Cb 0.15 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 1s89 s HIS 40 CO 0.65 0.02 0.55 0.08 -0.85 0.00 0.00 174.74 175.19 1s89 s VAL 41 N -2.68 5.09 -0.13 -0.90 1.01 -0.20 -4.99 120.40 117.60 1s89 s VAL 41 Ca 0.34 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 1s89 s VAL 41 Cb 0.02 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1s89 s VAL 41 CO 0.19 0.17 0.04 -0.76 0.00 0.00 0.00 175.10 174.74 1s89 s LEU 42 N 1.63 3.74 0.12 3.92 1.43 -1.26 -0.06 118.68 128.21 1s89 s LEU 42 Ca 0.26 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1s89 s LEU 42 Cb -0.16 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1s89 s LEU 42 CO 0.10 0.30 -0.13 -0.31 0.23 0.00 0.00 176.35 176.55 1s89 s TYR 43 N -0.42 1.31 0.15 0.29 1.51 0.89 -1.02 117.35 120.06 1s89 s TYR 43 Ca 0.09 -0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 55.30 1s89 s TYR 43 Cb -0.12 -0.69 0.06 0.00 -0.11 0.00 0.00 41.96 41.11 1s89 s TYR 43 CO 0.02 0.11 0.86 0.00 -1.11 0.00 0.00 175.55 175.43 1s89 s ALA 44 N -2.38 -1.59 0.50 3.71 0.00 -0.85 -0.18 121.76 120.97 1s89 s ALA 44 Ca 0.09 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 1s89 s ALA 44 Cb -0.03 0.67 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 1s89 s ALA 44 CO 0.02 -0.94 0.97 0.95 0.00 0.00 0.00 175.76 176.76 1s89 s THR 45 N -3.44 4.51 0.01 0.00 -4.23 -1.21 0.61 115.64 111.90 1s89 s THR 45 Ca 0.09 1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 61.84 1s89 s THR 45 Cb -0.02 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.12 1s89 s THR 45 CO -0.01 -0.62 0.66 0.61 -0.54 0.00 0.00 174.62 174.72 1s89 n GLY 46 N -1.40 -1.92 0.45 3.99 0.00 0.23 0.12 105.19 106.66 1s89 n GLY 46 Ca 0.07 0.41 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 1s89 n GLY 46 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s89 h THR 47 N 0.00 0.16 -0.41 2.61 2.02 -1.86 -2.24 112.91 113.19 1s89 h THR 47 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.28 1s89 h THR 47 Cb 0.03 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.51 1s89 h THR 47 CO -0.06 0.00 -0.19 0.74 0.37 0.00 0.00 175.52 176.38 1s89 h THR 48 N -1.01 0.42 -0.84 3.16 2.02 -1.80 -1.52 112.91 113.35 1s89 h THR 48 Ca -0.08 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1s89 h THR 48 Cb 0.82 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 1s89 h THR 48 CO 0.07 0.00 0.52 1.23 0.37 0.00 0.00 175.52 177.71 1s89 h GLY 49 N -0.12 1.26 0.87 2.16 0.00 -0.24 -1.83 103.07 105.17 1s89 h GLY 49 Ca 0.20 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1s89 h GLY 49 CO -0.48 0.26 -0.16 3.43 0.00 0.00 0.00 176.54 179.58 1s89 h ASN 50 N 0.95 0.57 -0.69 0.19 2.35 -0.83 -1.91 115.58 116.20 1s89 h ASN 50 Ca 0.37 -0.44 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1s89 h ASN 50 Cb 0.16 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1s89 h ASN 50 CO -0.17 0.88 0.41 -0.07 -1.65 0.00 0.00 177.43 176.84 1s89 h LEU 51 N 0.26 0.65 -0.24 1.61 3.38 -1.06 0.56 115.31 120.46 1s89 h LEU 51 Ca 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1s89 h LEU 51 Cb 0.69 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1s89 h LEU 51 CO 0.04 0.44 0.04 0.40 0.09 0.00 0.00 178.44 179.45 1s89 h ILE 52 N 0.79 1.23 -0.52 1.22 2.04 -1.28 -2.15 117.51 118.84 1s89 h ILE 52 Ca 0.29 -0.77 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1s89 h ILE 52 Cb 0.10 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1s89 h ILE 52 CO -0.14 0.25 -0.08 0.77 0.00 0.00 0.00 178.15 178.94 1s89 h SER 53 N 0.21 0.93 0.33 1.72 4.64 -1.08 -0.14 113.55 120.17 1s89 h SER 53 Ca 0.07 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 1s89 h SER 53 Cb 0.33 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1s89 h SER 53 CO 0.01 1.03 -0.27 0.03 -0.87 0.00 0.00 176.83 176.75 1s89 h ARG 54 N 0.85 0.00 0.00 4.77 3.08 -0.83 0.13 114.38 122.38 1s89 h ARG 54 Ca 0.14 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 1s89 h ARG 54 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1s89 h ARG 54 CO 0.04 0.27 -1.90 0.00 -1.07 0.00 0.00 179.97 177.31 1s89 n ALA 55 N -2.44 1.87 0.16 0.04 0.00 -0.82 -4.57 120.51 114.75 1s89 n ALA 55 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 53.44 52.59 1s89 n ALA 55 Cb 0.33 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1s89 n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s89 n THR 56 N -2.75 0.00 -0.97 0.00 -2.24 -0.09 -4.98 114.28 103.25 1s89 n THR 56 Ca -0.18 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1s89 n THR 56 Cb 0.94 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1s89 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s89 n GLY 57 N 1.56 0.53 3.79 3.38 0.00 0.44 -4.98 105.19 109.91 1s89 n GLY 57 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1s89 n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s89 s MET 58 N -0.33 3.71 -0.74 1.61 -1.94 -1.25 -4.97 119.30 115.38 1s89 s MET 58 Ca 0.00 1.43 -0.25 0.00 -1.71 0.00 0.00 55.69 55.16 1s89 s MET 58 Cb 0.00 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.79 1s89 s MET 58 CO 0.00 -0.52 1.21 1.21 -0.01 0.00 0.00 175.02 176.91 1s89 s ASN 59 N -1.91 6.20 -0.16 3.03 3.04 -1.26 -4.42 114.94 119.46 1s89 s ASN 59 Ca 0.68 -0.69 -0.01 0.00 0.04 0.00 0.00 52.86 52.88 1s89 s ASN 59 Cb -0.18 -2.52 -0.01 0.00 -1.54 0.00 0.00 41.25 36.99 1s89 s ASN 59 CO 0.22 -1.70 -0.11 -0.69 -3.04 0.00 0.00 177.10 171.78 1s89 s VAL 60 N 5.21 3.13 -0.88 -5.21 1.01 -1.26 -4.40 120.40 117.99 1s89 s VAL 60 Ca 0.33 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1s89 s VAL 60 Cb -0.10 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.99 1s89 s VAL 60 CO 0.11 0.50 1.34 0.20 0.00 0.00 0.00 175.10 177.25 1s89 s ASN 61 N 0.68 6.35 -0.06 3.32 0.01 -0.19 -4.92 114.94 120.13 1s89 s ASN 61 Ca -0.05 -1.05 -0.27 0.00 -0.71 0.00 0.00 52.86 50.77 1s89 s ASN 61 Cb -0.15 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 1s89 s ASN 61 CO 0.02 -1.61 0.86 0.00 -1.51 0.00 0.00 177.10 174.85 1s89 s ALA 62 N 5.11 3.31 0.42 0.60 0.00 -1.26 -2.00 121.76 127.94 1s89 s ALA 62 Ca 0.39 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1s89 s ALA 62 Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1s89 s ALA 62 CO 0.01 -0.30 0.00 -1.33 0.00 0.00 0.00 175.76 174.15 1s89 n MET 63 N 4.20 0.66 -1.14 0.00 0.00 0.20 -4.80 117.12 116.24 1s89 n MET 63 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.44 1s89 n MET 63 Cb 0.50 0.00 0.16 0.00 0.00 0.00 0.00 33.22 33.88 1s89 n MET 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1s89 s LEU 64 N 0.00 1.95 0.58 4.03 1.43 -1.26 -0.60 118.68 124.81 1s89 s LEU 64 Ca 0.00 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 54.31 1s89 s LEU 64 Cb 0.00 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1s89 s LEU 64 CO 0.00 -2.93 1.16 -0.55 0.23 0.00 0.00 176.35 174.26 1s89 s SER 65 N -3.36 5.41 0.14 2.29 0.15 -1.26 -1.24 113.70 115.83 1s89 s SER 65 Ca 0.64 2.24 -0.28 0.00 0.70 0.00 0.00 55.95 59.26 1s89 s SER 65 Cb -0.19 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.52 1s89 s SER 65 CO 0.58 -1.44 1.58 1.23 1.20 0.00 0.00 173.24 176.39 1s89 h GLY 66 N 0.91 -0.60 1.82 9.45 0.00 -1.92 0.02 103.07 112.75 1s89 h GLY 66 Ca -0.50 0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1s89 h GLY 66 CO 0.56 -0.20 0.08 -2.55 0.00 0.00 0.00 176.54 174.42 1s89 h PRO 67 N -0.40 0.00 -0.20 4.80 0.11 -1.97 -1.35 132.00 132.99 1s89 h PRO 67 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1s89 h PRO 67 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1s89 h PRO 67 CO -0.48 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 175.98 1s89 n MET 68 N -3.68 1.97 0.00 1.05 2.81 -0.47 -4.91 117.12 113.89 1s89 n MET 68 Ca -0.02 -1.46 0.00 0.00 -1.81 0.00 0.00 57.70 54.42 1s89 n MET 68 Cb 0.17 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1s89 n MET 68 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s89 n GLY 69 N 1.25 1.02 0.34 3.03 0.00 -0.52 -4.85 105.19 105.47 1s89 n GLY 69 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1s89 n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s89 h GLY 70 N 0.00 1.18 0.96 -0.02 0.00 -1.00 -1.86 103.07 102.33 1s89 h GLY 70 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1s89 h GLY 70 CO 0.00 0.57 0.40 -0.55 0.00 0.00 0.00 176.54 176.96 1s89 h ASP 71 N 1.08 0.68 0.27 0.19 3.45 -1.80 -1.05 116.42 119.24 1s89 h ASP 71 Ca 0.26 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.59 1s89 h ASP 71 Cb 0.16 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1s89 h ASP 71 CO -0.03 0.49 -0.44 1.56 -1.57 0.00 0.00 179.24 179.25 1s89 h GLN 72 N 0.80 0.21 -0.68 3.56 4.20 -1.83 0.10 115.11 121.48 1s89 h GLN 72 Ca 0.23 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1s89 h GLN 72 Cb -0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1s89 h GLN 72 CO -0.06 0.61 0.13 1.96 -0.67 0.00 0.00 178.83 180.80 1s89 h GLN 73 N 0.17 1.11 -0.32 1.46 4.20 -0.63 -0.13 115.11 120.98 1s89 h GLN 73 Ca 0.01 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.32 1s89 h GLN 73 Cb 0.85 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1s89 h GLN 73 CO 0.07 1.00 -0.25 0.28 -0.67 0.00 0.00 178.83 179.26 1s89 h VAL 74 N 1.05 1.29 -0.48 -0.54 2.07 -0.87 -2.31 116.25 116.47 1s89 h VAL 74 Ca 0.21 -1.41 0.05 0.00 0.82 0.00 0.00 66.70 66.37 1s89 h VAL 74 Cb 0.42 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1s89 h VAL 74 CO 0.01 0.45 0.22 1.23 0.02 0.00 0.00 177.57 179.50 1s89 h GLY 75 N 0.49 0.66 1.01 2.17 0.00 -0.63 -0.85 103.07 105.92 1s89 h GLY 75 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1s89 h GLY 75 CO 0.07 0.08 0.46 0.00 0.00 0.00 0.00 176.54 177.14 1s89 h ALA 76 N 1.28 0.98 -0.46 3.60 0.00 -0.96 -0.29 119.26 123.40 1s89 h ALA 76 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1s89 h ALA 76 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1s89 h ALA 76 CO -0.17 0.45 0.06 -0.07 0.00 0.00 0.00 179.25 179.51 1s89 h LEU 77 N 1.05 0.68 -0.17 0.00 3.38 -0.79 -0.64 115.31 118.82 1s89 h LEU 77 Ca 0.27 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1s89 h LEU 77 Cb -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1s89 h LEU 77 CO -0.05 0.72 -0.05 0.40 0.09 0.00 0.00 178.44 179.54 1s89 h ILE 78 N 0.70 1.30 0.00 1.22 2.04 -0.60 0.25 117.51 122.41 1s89 h ILE 78 Ca 0.15 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1s89 h ILE 78 Cb 0.34 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1s89 h ILE 78 CO 0.01 0.31 -0.12 0.77 0.00 0.00 0.00 178.15 179.12 1s89 h SER 79 N 0.04 0.00 -0.06 1.72 4.64 -0.75 -0.22 113.55 118.92 1s89 h SER 79 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1s89 h SER 79 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1s89 h SER 79 CO 0.02 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.48 1s89 n GLU 80 N -4.04 1.55 -2.06 4.77 1.02 -0.28 -4.93 120.64 116.68 1s89 n GLU 80 Ca -0.02 -0.81 -0.09 0.00 -0.02 0.00 0.00 57.16 56.22 1s89 n GLU 80 Cb 0.20 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1s89 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s89 n GLY 81 N 1.11 0.13 0.00 0.62 0.00 -0.09 -4.92 105.19 102.04 1s89 n GLY 81 Ca 0.18 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.77 1s89 n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s89 n LYS 82 N -2.00 1.21 -4.77 1.61 5.02 0.82 -4.87 118.16 115.18 1s89 n LYS 82 Ca -0.11 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.84 1s89 n LYS 82 Cb 0.55 -1.33 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 1s89 n LYS 82 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s89 s ILE 83 N -2.68 2.52 -0.07 -0.18 -1.09 -1.19 -4.74 121.20 113.77 1s89 s ILE 83 Ca 0.06 -0.83 0.18 0.00 -2.23 0.00 0.00 60.65 57.82 1s89 s ILE 83 Cb 0.13 -2.04 -0.27 0.00 -1.58 0.00 0.00 42.46 38.70 1s89 s ILE 83 CO 0.72 0.53 0.30 0.47 -1.23 0.00 0.00 174.94 175.73 1s89 n ASP 84 N 3.82 0.67 -3.91 3.58 8.00 0.02 -4.74 116.55 123.98 1s89 n ASP 84 Ca -0.19 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.20 1s89 n ASP 84 Cb 0.52 1.57 -0.13 0.00 -0.02 0.00 0.00 41.12 43.06 1s89 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s89 s VAL 85 N -3.03 0.05 -0.14 2.53 1.01 -1.03 -3.87 120.40 115.91 1s89 s VAL 85 Ca -0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1s89 s VAL 85 Cb 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.38 1s89 s VAL 85 CO 0.77 -0.21 -0.07 -0.22 0.00 0.00 0.00 175.10 175.37 1s89 s LEU 86 N -0.62 1.43 -0.38 3.92 2.96 -0.51 -1.35 118.68 124.13 1s89 s LEU 86 Ca -0.07 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1s89 s LEU 86 Cb -0.04 -0.90 0.07 0.00 0.50 0.00 0.00 46.19 45.82 1s89 s LEU 86 CO -0.00 -0.15 0.17 -0.63 -1.32 0.00 0.00 176.35 174.42 1s89 s ILE 87 N 1.66 3.64 -0.36 6.68 -1.09 -0.45 -0.69 121.20 130.59 1s89 s ILE 87 Ca 0.03 -1.53 0.01 0.00 -2.23 0.00 0.00 60.65 56.92 1s89 s ILE 87 Cb -0.14 -3.25 0.11 0.00 -1.58 0.00 0.00 42.46 37.61 1s89 s ILE 87 CO -0.08 -0.42 0.14 0.12 -1.23 0.00 0.00 174.94 173.47 1s89 s PHE 88 N 1.31 1.97 -1.02 3.97 5.99 0.18 -0.83 117.98 129.54 1s89 s PHE 88 Ca 0.02 -2.09 -0.20 0.00 0.00 0.00 0.00 56.93 54.66 1s89 s PHE 88 Cb -0.22 -1.87 0.09 0.00 0.00 0.00 0.00 43.02 41.03 1s89 s PHE 88 CO -0.00 -0.85 1.34 -0.06 -0.00 0.00 0.00 175.22 175.65 1s89 s PHE 89 N 1.10 2.87 0.57 10.12 2.99 -0.23 -4.20 117.98 131.21 1s89 s PHE 89 Ca 0.13 -1.24 -0.07 0.00 0.00 0.00 0.00 56.93 55.75 1s89 s PHE 89 Cb -0.20 -4.50 -0.01 0.00 0.00 0.00 0.00 43.02 38.31 1s89 s PHE 89 CO -0.14 -1.70 0.90 1.67 -0.00 0.00 0.00 175.22 175.95 1s89 s TRP 90 N 3.69 3.38 -0.47 0.36 1.48 -1.26 -1.88 118.94 124.24 1s89 s TRP 90 Ca 0.41 0.78 -0.21 0.00 -1.06 0.00 0.00 56.10 56.03 1s89 s TRP 90 Cb -0.02 -2.64 0.04 0.00 -1.16 0.00 0.00 33.47 29.68 1s89 s TRP 90 CO -0.07 -0.69 0.67 0.34 -4.06 0.00 0.00 176.95 173.13 1s89 s ASP 91 N -4.24 6.29 0.00 -2.66 -1.08 -1.26 -4.88 116.67 108.83 1s89 s ASP 91 Ca 0.53 -0.52 0.10 0.00 -0.52 0.00 0.00 52.55 52.13 1s89 s ASP 91 Cb -0.11 -2.32 0.40 0.00 -1.46 0.00 0.00 42.92 39.43 1s89 s ASP 91 CO 0.46 -0.86 1.29 -0.81 0.52 0.00 0.00 175.17 175.77 1s89 n PRO 92 N 6.36 1.40 0.00 4.34 -0.04 -1.26 -3.84 135.00 141.96 1s89 n PRO 92 Ca -0.03 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1s89 n PRO 92 Cb 0.47 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1s89 n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s89 n LEU 93 N -0.05 0.23 -4.22 1.53 4.77 -1.26 -5.08 117.00 112.92 1s89 n LEU 93 Ca 0.09 -0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 55.42 1s89 n LEU 93 Cb 0.17 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.14 1s89 n LEU 93 CO 0.06 0.06 -0.47 0.20 -1.33 0.00 0.00 177.39 175.91 1s89 s ASN 94 N -0.44 1.98 0.00 -1.43 0.01 -1.25 -5.10 114.94 108.72 1s89 s ASN 94 Ca 0.00 -0.67 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1s89 s ASN 94 Cb 0.00 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.58 1s89 s ASN 94 CO 0.00 -0.05 0.64 0.00 -1.51 0.00 0.00 177.10 176.19 1s89 n ALA 95 N 1.09 0.00 -1.67 0.60 0.00 -1.26 -4.90 120.51 114.37 1s89 n ALA 95 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s89 n ALA 95 Cb 0.54 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1s89 n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1s89 n VAL 96 N -2.24 -8.32 -0.03 0.00 0.24 -1.26 -4.85 118.33 101.88 1s89 n VAL 96 Ca 0.00 2.52 -0.15 0.00 -2.04 0.00 0.00 64.34 64.68 1s89 n VAL 96 Cb 0.00 -4.00 -0.10 0.00 -1.47 0.00 0.00 33.84 28.28 1s89 n VAL 96 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1s89 h PRO 97 N 3.04 0.30 -1.82 7.34 0.13 -2.03 -3.33 132.00 135.63 1s89 h PRO 97 Ca 0.00 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1s89 h PRO 97 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1s89 h PRO 97 CO 0.00 0.89 0.00 0.27 -0.23 0.00 0.00 178.00 178.93 1s89 n ASN 98 N -4.46 4.61 -0.09 1.44 6.94 -1.26 -4.55 115.26 117.89 1s89 n ASN 98 Ca -0.08 -2.24 -0.06 0.00 -0.02 0.00 0.00 54.58 52.17 1s89 n ASN 98 Cb 0.49 -0.95 -0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1s89 n ASN 98 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1s89 h ASP 99 N 0.98 -0.36 -0.56 0.53 -0.00 -1.89 -0.83 116.42 114.29 1s89 h ASP 99 Ca 0.00 0.10 0.02 0.00 -0.00 0.00 0.00 57.03 57.15 1s89 h ASP 99 Cb 0.94 0.22 -0.03 0.00 -0.00 0.00 0.00 39.33 40.46 1s89 h ASP 99 CO 0.00 -0.13 0.37 1.55 -0.00 0.00 0.00 179.24 181.03 1s89 h PRO 100 N -0.03 0.69 -0.43 0.28 0.13 -1.94 -0.53 132.00 130.17 1s89 h PRO 100 Ca 0.16 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1s89 h PRO 100 Cb 0.27 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 1s89 h PRO 100 CO -0.35 0.45 0.01 -0.44 -0.23 0.00 0.00 178.00 177.45 1s89 h ASP 101 N 0.71 0.65 0.08 1.44 5.19 -1.66 0.18 116.42 123.00 1s89 h ASP 101 Ca 0.21 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1s89 h ASP 101 Cb -0.01 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1s89 h ASP 101 CO -0.05 0.72 -0.04 0.58 -3.12 0.00 0.00 179.24 177.33 1s89 h VAL 102 N 0.65 1.10 -0.72 -1.35 2.07 0.21 -0.79 116.25 117.43 1s89 h VAL 102 Ca 0.13 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1s89 h VAL 102 Cb 0.39 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1s89 h VAL 102 CO 0.01 0.16 0.29 0.11 0.02 0.00 0.00 177.57 178.17 1s89 h LYS 103 N -0.39 1.06 -0.44 1.57 6.56 -1.01 -1.70 116.57 122.22 1s89 h LYS 103 Ca -0.01 -0.18 -0.08 0.00 -1.06 0.00 0.00 60.65 59.32 1s89 h LYS 103 Cb 0.34 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1s89 h LYS 103 CO 0.02 0.85 -0.07 0.00 -2.06 0.00 0.00 179.45 178.19 1s89 h ALA 104 N 1.28 1.05 -0.13 3.86 0.00 -0.57 0.58 119.26 125.33 1s89 h ALA 104 Ca 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1s89 h ALA 104 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s89 h ALA 104 CO -0.02 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 181.04 1s89 h LEU 105 N 0.70 0.24 -1.14 0.00 5.85 -0.69 -2.28 115.31 117.99 1s89 h LEU 105 Ca 0.13 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1s89 h LEU 105 Cb 0.53 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1s89 h LEU 105 CO 0.03 0.52 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.38 1s89 h LEU 106 N -0.05 0.35 -0.21 2.25 3.38 -1.21 -2.03 115.31 117.79 1s89 h LEU 106 Ca 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1s89 h LEU 106 Cb 0.41 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1s89 h LEU 106 CO 0.01 0.57 0.13 -0.09 0.09 0.00 0.00 178.44 179.15 1s89 h ARG 107 N 0.33 0.28 -0.40 1.13 2.43 -0.69 -1.66 114.38 115.79 1s89 h ARG 107 Ca 0.06 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1s89 h ARG 107 Cb 0.54 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1s89 h ARG 107 CO 0.04 0.23 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.55 1s89 h LEU 108 N 0.26 0.70 -1.30 3.80 3.38 -1.18 -0.36 115.31 120.61 1s89 h LEU 108 Ca 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1s89 h LEU 108 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1s89 h LEU 108 CO -0.01 0.83 -0.14 0.00 0.09 0.00 0.00 178.44 179.21 1s89 h ALA 109 N 1.23 1.42 0.07 1.53 0.00 -1.12 0.11 119.26 122.50 1s89 h ALA 109 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s89 h ALA 109 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s89 h ALA 109 CO 0.03 0.40 -0.03 1.15 0.00 0.00 0.00 179.25 180.80 1s89 h THR 110 N 0.28 1.23 -0.35 0.00 2.02 -0.80 -2.91 112.91 112.37 1s89 h THR 110 Ca 0.06 -1.27 0.07 0.00 0.77 0.00 0.00 66.41 66.04 1s89 h THR 110 Cb 0.43 2.02 -0.07 0.00 -1.74 0.00 0.00 68.15 68.79 1s89 h THR 110 CO 0.03 0.30 -0.08 0.58 0.37 0.00 0.00 175.52 176.72 1s89 h VAL 111 N -0.69 0.65 -0.09 3.16 2.07 -0.80 -1.74 116.25 118.81 1s89 h VAL 111 Ca -0.01 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1s89 h VAL 111 Cb 0.57 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1s89 h VAL 111 CO 0.02 0.00 0.00 0.79 0.02 0.00 0.00 177.57 178.40 1s89 n TRP 112 N -5.27 0.12 -3.81 1.57 7.02 0.35 -4.58 117.44 112.83 1s89 n TRP 112 Ca 0.01 -0.06 -0.36 0.00 -1.02 0.00 0.00 57.50 56.07 1s89 n TRP 112 Cb 0.20 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.12 1s89 n TRP 112 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1s89 n ASN 113 N -0.26 -4.96 -4.41 -0.99 5.15 -0.66 -4.87 115.26 104.27 1s89 n ASN 113 Ca 0.05 -1.10 -0.28 0.00 -0.60 0.00 0.00 54.58 52.65 1s89 n ASN 113 Cb 0.09 -2.74 -0.12 0.00 -0.53 0.00 0.00 39.78 36.47 1s89 n ASN 113 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1s89 s ILE 114 N -3.45 2.32 0.11 -1.44 -4.36 -1.17 -4.85 121.20 108.36 1s89 s ILE 114 Ca 0.46 -1.86 -0.34 0.00 -0.26 0.00 0.00 60.65 58.65 1s89 s ILE 114 Cb -0.20 -2.06 -0.14 0.00 1.25 0.00 0.00 42.46 41.31 1s89 s ILE 114 CO 0.90 0.01 1.63 -2.65 0.24 0.00 0.00 174.94 175.06 1s89 n PRO 115 N 0.64 2.10 -4.31 0.37 -0.02 -1.25 -4.86 135.00 127.67 1s89 n PRO 115 Ca -0.16 0.76 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 1s89 n PRO 115 Cb 0.54 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 1s89 n PRO 115 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s89 s VAL 116 N 1.52 0.71 -0.08 -1.45 1.01 -1.26 -1.43 120.40 119.42 1s89 s VAL 116 Ca 0.82 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1s89 s VAL 116 Cb -0.70 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1s89 s VAL 116 CO 0.41 0.25 -0.17 0.00 0.00 0.00 0.00 175.10 175.59 1s89 s ALA 117 N 0.60 1.66 -0.52 5.51 0.00 0.13 -4.96 121.76 124.17 1s89 s ALA 117 Ca -0.09 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1s89 s ALA 117 Cb -0.12 -0.67 0.15 0.00 0.00 0.00 0.00 23.12 22.47 1s89 s ALA 117 CO 0.01 0.19 1.09 0.25 0.00 0.00 0.00 175.76 177.30 1s89 n THR 118 N 3.68 0.89 -3.67 0.00 -2.24 -1.26 -0.65 114.28 111.04 1s89 n THR 118 Ca -0.21 -0.95 -0.10 0.00 -2.27 0.00 0.00 64.05 60.53 1s89 n THR 118 Cb 0.52 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1s89 n THR 118 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s89 s ASN 119 N -0.95 -0.37 0.15 3.42 2.20 -1.26 -4.41 114.94 113.73 1s89 s ASN 119 Ca 0.12 -0.36 -0.16 0.00 -0.94 0.00 0.00 52.86 51.52 1s89 s ASN 119 Cb 0.06 0.63 0.03 0.00 -2.00 0.00 0.00 41.25 39.98 1s89 s ASN 119 CO 0.08 -1.12 1.79 0.58 -2.94 0.00 0.00 177.10 175.50 1s89 h VAL 120 N 2.07 1.04 -0.53 3.54 2.07 -1.98 -1.47 116.25 120.99 1s89 h VAL 120 Ca -0.27 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.19 1s89 h VAL 120 Cb 1.27 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1s89 h VAL 120 CO 0.33 0.08 0.05 0.00 0.02 0.00 0.00 177.57 178.06 1s89 h ALA 121 N 1.17 0.55 -0.35 1.67 0.00 -1.99 0.20 119.26 120.51 1s89 h ALA 121 Ca 0.15 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1s89 h ALA 121 Cb 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s89 h ALA 121 CO -0.07 -0.35 -0.37 1.15 0.00 0.00 0.00 179.25 179.61 1s89 h THR 122 N 0.17 1.28 -0.98 0.00 2.02 -1.94 -2.19 112.91 111.27 1s89 h THR 122 Ca 0.27 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.92 1s89 h THR 122 Cb 0.40 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1s89 h THR 122 CO -0.40 0.51 0.63 0.00 0.37 0.00 0.00 175.52 176.63 1s89 h ALA 123 N 0.90 1.25 -0.08 6.16 0.00 -0.10 -1.42 119.26 125.97 1s89 h ALA 123 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1s89 h ALA 123 Cb 0.93 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1s89 h ALA 123 CO 0.09 0.66 -0.02 -0.44 0.00 0.00 0.00 179.25 179.54 1s89 h ASP 124 N 1.34 0.15 -0.80 0.00 3.32 -0.51 -1.95 116.42 117.98 1s89 h ASP 124 Ca 0.36 -0.37 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1s89 h ASP 124 Cb -0.12 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1s89 h ASP 124 CO -0.07 0.48 0.52 -0.26 -1.72 0.00 0.00 179.24 178.19 1s89 h PHE 125 N -0.18 0.89 0.06 4.55 -1.00 -1.14 -0.74 116.94 119.39 1s89 h PHE 125 Ca 0.02 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1s89 h PHE 125 Cb 0.42 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1s89 h PHE 125 CO 0.05 0.48 -0.03 0.82 -1.61 0.00 0.00 178.31 178.02 1s89 h ILE 126 N 0.89 1.23 0.00 -0.55 2.04 -1.19 -2.63 117.51 117.31 1s89 h ILE 126 Ca 0.34 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1s89 h ILE 126 Cb 0.20 1.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1s89 h ILE 126 CO -0.12 0.26 -0.16 -0.29 0.00 0.00 0.00 178.15 177.85 1s89 h ILE 127 N -0.56 0.42 -0.01 -0.67 2.10 -1.16 -2.45 117.51 115.17 1s89 h ILE 127 Ca -0.01 -0.91 0.00 0.00 1.08 0.00 0.00 64.86 65.02 1s89 h ILE 127 Cb 0.49 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 1s89 h ILE 127 CO 0.01 0.16 -0.17 0.00 -1.08 0.00 0.00 178.15 177.07 1s89 n GLN 128 N -3.34 1.20 -2.19 2.19 6.02 -0.30 -4.87 117.38 116.10 1s89 n GLN 128 Ca 0.00 -0.74 -0.39 0.00 -0.01 0.00 0.00 57.00 55.86 1s89 n GLN 128 Cb 0.38 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 1s89 n GLN 128 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s89 s SER 129 N -2.31 6.45 0.45 1.08 0.15 -0.92 -4.92 113.70 113.68 1s89 s SER 129 Ca 0.29 2.49 0.15 0.00 0.70 0.00 0.00 55.95 59.58 1s89 s SER 129 Cb 0.20 -2.63 1.09 0.00 -1.71 0.00 0.00 66.02 62.97 1s89 s SER 129 CO 0.45 -0.74 2.00 1.55 1.20 0.00 0.00 173.24 177.70 1s89 h PRO 130 N 2.71 0.32 -0.63 5.44 0.13 -1.90 -2.69 132.00 135.38 1s89 h PRO 130 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1s89 h PRO 130 Cb 1.24 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1s89 h PRO 130 CO 0.63 0.21 0.00 0.72 -0.23 0.00 0.00 178.00 179.33 1s89 n HIS 131 N -4.46 1.21 0.27 1.56 8.25 -1.26 -4.28 115.22 116.51 1s89 n HIS 131 Ca 0.08 -0.49 0.11 0.00 -0.26 0.00 0.00 57.72 57.16 1s89 n HIS 131 Cb 0.36 -0.19 0.74 0.00 1.12 0.00 0.00 29.99 32.02 1s89 n HIS 131 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1s89 h PHE 132 N 3.47 0.00 -0.48 4.41 3.57 -1.76 -1.36 116.94 124.80 1s89 h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s89 h PHE 132 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1s89 h PHE 132 CO 0.63 0.06 0.00 0.09 -2.23 0.00 0.00 178.31 176.86 1s89 n ASN 133 N -4.03 4.18 -4.63 0.41 3.02 -1.26 -4.79 115.26 108.16 1s89 n ASN 133 Ca -0.03 -2.51 -0.26 0.00 -0.03 0.00 0.00 54.58 51.76 1s89 n ASN 133 Cb 0.15 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.73 1s89 n ASN 133 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1s89 s ASP 134 N -1.19 4.08 0.09 6.41 1.01 -0.51 -4.68 116.67 121.89 1s89 s ASP 134 Ca 0.43 -1.12 -0.30 0.00 0.71 0.00 0.00 52.55 52.27 1s89 s ASP 134 Cb 0.29 -0.46 -0.05 0.00 1.01 0.00 0.00 42.92 43.70 1s89 s ASP 134 CO 0.18 -0.33 0.96 0.00 0.21 0.00 0.00 175.17 176.20 1s89 s ALA 135 N -2.59 3.23 -0.02 5.23 0.00 -1.26 -3.99 121.76 122.36 1s89 s ALA 135 Ca 0.35 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.89 1s89 s ALA 135 Cb 0.03 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1s89 s ALA 135 CO 0.19 -0.06 -0.03 0.54 0.00 0.00 0.00 175.76 176.41 1s89 s VAL 136 N 0.17 0.32 0.03 0.00 0.11 -0.66 -4.93 120.40 115.44 1s89 s VAL 136 Ca 0.48 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.19 1s89 s VAL 136 Cb -0.23 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1s89 s VAL 136 CO 0.29 0.15 0.90 -1.81 -3.33 0.00 0.00 175.10 171.31 1s89 s ASP 137 N 0.63 7.32 0.12 3.54 1.01 -1.26 -0.40 116.67 127.64 1s89 s ASP 137 Ca -0.07 1.59 0.07 0.00 0.71 0.00 0.00 52.55 54.85 1s89 s ASP 137 Cb -0.10 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1s89 s ASP 137 CO -0.01 -0.15 -0.17 0.27 0.21 0.00 0.00 175.17 175.32 1s89 s ILE 138 N 0.56 1.56 -0.02 0.77 -4.36 0.05 -4.97 121.20 114.79 1s89 s ILE 138 Ca 0.47 -1.67 -0.17 0.00 -0.26 0.00 0.00 60.65 59.01 1s89 s ILE 138 Cb -0.21 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 1s89 s ILE 138 CO 0.26 -0.26 0.48 -0.76 0.24 0.00 0.00 174.94 174.91 1s89 s LEU 139 N -2.27 4.42 0.05 0.37 1.43 -1.26 -1.41 118.68 120.01 1s89 s LEU 139 Ca 0.09 1.01 -0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1s89 s LEU 139 Cb -0.07 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1s89 s LEU 139 CO 0.04 0.20 -0.04 0.27 0.23 0.00 0.00 176.35 177.05 1s89 s ILE 140 N -0.49 0.26 0.46 -0.59 -4.36 -0.54 -4.66 121.20 111.27 1s89 s ILE 140 Ca 0.26 -1.54 -0.25 0.00 -0.26 0.00 0.00 60.65 58.86 1s89 s ILE 140 Cb -0.17 -1.15 -0.08 0.00 1.25 0.00 0.00 42.46 42.31 1s89 s ILE 140 CO 0.14 -0.82 1.41 -2.16 0.24 0.00 0.00 174.94 173.76 1s89 s PRO 141 N -3.12 3.64 -0.90 0.37 0.04 -1.26 -0.31 135.00 133.47 1s89 s PRO 141 Ca 0.00 2.38 -0.18 0.00 0.04 0.00 0.00 61.00 63.25 1s89 s PRO 141 Cb 0.02 -2.62 0.15 0.00 0.04 0.00 0.00 34.50 32.09 1s89 s PRO 141 CO -0.06 -0.84 1.03 0.34 0.04 0.00 0.00 177.00 177.50 1s89 s ASP 142 N -0.57 6.65 0.24 6.66 2.15 -0.57 -4.59 116.67 126.65 1s89 s ASP 142 Ca 0.62 -2.20 -0.05 0.00 0.43 0.00 0.00 52.55 51.35 1s89 s ASP 142 Cb -0.43 -2.35 0.45 0.00 -0.30 0.00 0.00 42.92 40.29 1s89 s ASP 142 CO 0.55 -0.94 1.70 0.22 -0.17 0.00 0.00 175.17 176.53 1s89 h TYR 143 N 8.57 0.36 0.03 -5.34 3.20 -1.91 -0.83 116.97 121.06 1s89 h TYR 143 Ca 0.13 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.06 1s89 h TYR 143 Cb 1.03 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1s89 h TYR 143 CO 1.13 -0.03 -0.44 1.96 -1.64 0.00 0.00 178.16 179.14 1s89 h GLN 144 N 0.33 -0.55 0.00 1.82 1.08 -1.99 0.58 115.11 116.39 1s89 h GLN 144 Ca 0.41 0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1s89 h GLN 144 Cb 0.66 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 1s89 h GLN 144 CO -0.46 -0.37 -0.01 0.00 -0.95 0.00 0.00 178.83 177.04 1s89 h ARG 145 N -0.57 0.00 0.24 1.46 2.47 -1.90 0.16 114.38 116.24 1s89 h ARG 145 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1s89 h ARG 145 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1s89 h ARG 145 CO -0.28 0.01 -0.12 -0.92 0.56 0.00 0.00 179.97 179.23 1s89 h TYR 146 N 0.00 -0.30 -0.50 3.04 3.20 0.51 -2.46 116.97 120.46 1s89 h TYR 146 Ca -0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1s89 h TYR 146 Cb 0.02 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1s89 h TYR 146 CO 0.00 0.07 0.08 1.25 -1.64 0.00 0.00 178.16 177.92 1s89 h LEU 147 N -0.81 0.79 -1.34 2.82 5.85 0.58 -1.45 115.31 121.75 1s89 h LEU 147 Ca -0.03 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1s89 h LEU 147 Cb 0.51 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1s89 h LEU 147 CO 0.05 0.85 0.50 0.00 -0.34 0.00 0.00 178.44 179.51 1s89 h ALA 148 N 0.97 1.70 -0.20 1.25 0.00 -0.78 -0.58 119.26 121.61 1s89 h ALA 148 Ca 0.15 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1s89 h ALA 148 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s89 h ALA 148 CO 0.01 0.17 -0.63 0.22 0.00 0.00 0.00 179.25 179.03 1s89 h ASP 149 N 0.78 0.80 0.26 0.00 1.82 -1.07 -2.88 116.42 116.13 1s89 h ASP 149 Ca 0.34 -0.46 -0.03 0.00 -0.39 0.00 0.00 57.03 56.48 1s89 h ASP 149 Cb 0.30 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 1s89 h ASP 149 CO -0.12 1.23 -0.15 0.03 -1.61 0.00 0.00 179.24 178.62 1s89 h ARG 150 N 0.52 0.00 0.00 0.28 2.47 -0.07 -3.44 114.38 114.14 1s89 h ARG 150 Ca -0.01 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.31 1s89 h ARG 150 Cb 1.22 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.56 1s89 h ARG 150 CO 0.13 0.15 -0.05 1.28 0.56 0.00 0.00 179.97 182.03 1s89 n LEU 151 N -3.95 0.00 0.00 3.04 4.77 -0.52 -5.10 117.00 115.25 1s89 n LEU 151 Ca -0.02 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1s89 n LEU 151 Cb 0.24 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1s89 n LEU 151 CO 0.33 -0.68 0.00 0.29 -1.33 0.00 0.00 177.39 176.00