#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s89 s GLU 2 N 0.00 4.19 0.20 2.12 1.03 -1.26 -4.92 118.70 120.05 1s89 s GLU 2 Ca 0.00 2.19 0.10 0.00 0.03 0.00 0.00 54.97 57.28 1s89 s GLU 2 Cb 0.00 -2.93 -0.04 0.00 -0.80 0.00 0.00 34.13 30.36 1s89 s GLU 2 CO 0.00 -0.32 -0.12 -0.51 -1.33 0.00 0.00 175.26 172.98 1s89 s LEU 3 N -2.08 2.85 0.00 1.83 1.43 -1.26 -0.98 118.68 120.48 1s89 s LEU 3 Ca 0.52 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1s89 s LEU 3 Cb -0.39 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1s89 s LEU 3 CO 0.51 0.09 0.00 1.07 0.23 0.00 0.00 176.35 178.26 1s89 n THR 4 N -0.03 0.00 -4.33 5.49 5.66 0.53 -4.75 114.28 116.86 1s89 n THR 4 Ca -0.10 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.72 1s89 n THR 4 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 1s89 n THR 4 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1s89 s THR 5 N -1.49 1.30 -0.01 1.09 -4.23 -1.26 -0.43 115.64 110.61 1s89 s THR 5 Ca 0.00 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.38 1s89 s THR 5 Cb 0.00 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1s89 s THR 5 CO 0.00 -0.49 0.09 -0.60 -0.54 0.00 0.00 174.62 173.08 1s89 s ARG 6 N -3.77 0.29 -0.24 3.99 3.52 -0.73 -4.85 118.95 117.15 1s89 s ARG 6 Ca 0.24 -0.20 -0.09 0.00 -0.13 0.00 0.00 55.73 55.56 1s89 s ARG 6 Cb 0.03 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1s89 s ARG 6 CO 0.07 -0.06 0.11 0.99 -0.81 0.00 0.00 175.30 175.60 1s89 s THR 7 N -0.76 4.77 -0.19 4.11 2.01 -1.26 -1.00 115.64 123.31 1s89 s THR 7 Ca -0.08 -0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 1s89 s THR 7 Cb -0.05 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1s89 s THR 7 CO 0.00 0.34 0.99 -0.76 -0.69 0.00 0.00 174.62 174.50 1s89 s LEU 8 N 1.33 4.14 0.90 4.42 1.43 0.63 -4.90 118.68 126.63 1s89 s LEU 8 Ca 0.06 1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1s89 s LEU 8 Cb -0.15 -3.47 0.13 0.00 0.03 0.00 0.00 46.19 42.73 1s89 s LEU 8 CO 0.05 -0.57 1.12 -2.16 0.23 0.00 0.00 176.35 175.02 1s89 s PRO 9 N 2.75 1.19 0.19 1.29 0.04 -1.26 -2.03 135.00 137.16 1s89 s PRO 9 Ca 0.43 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1s89 s PRO 9 Cb -0.16 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 32.77 1s89 s PRO 9 CO 0.10 -2.44 1.81 0.00 0.04 0.00 0.00 177.00 176.51 1s89 h ALA 10 N -1.72 0.74 -1.88 8.56 0.00 -1.85 -3.29 119.26 119.82 1s89 h ALA 10 Ca -0.45 0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 1s89 h ALA 10 Cb 1.27 -0.12 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 1s89 h ALA 10 CO 0.46 0.01 0.44 1.03 0.00 0.00 0.00 179.25 181.18 1s89 s ARG 11 N -6.12 3.24 0.53 0.00 0.52 -1.26 -4.20 118.95 111.66 1s89 s ARG 11 Ca -0.13 -1.34 -0.21 0.00 -0.52 0.00 0.00 55.73 53.52 1s89 s ARG 11 Cb 0.14 -4.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.13 1s89 s ARG 11 CO 0.75 -1.68 1.26 0.15 0.02 0.00 0.00 175.30 175.80 1s89 s LYS 12 N 2.98 3.29 -0.49 3.54 -0.14 -1.24 -4.69 119.74 122.99 1s89 s LYS 12 Ca 0.21 1.98 -0.17 0.00 -1.36 0.00 0.00 55.97 56.63 1s89 s LYS 12 Cb -0.16 -2.22 0.07 0.00 -1.68 0.00 0.00 37.83 33.84 1s89 s LYS 12 CO 0.03 -0.99 0.50 -1.01 -0.76 0.00 0.00 175.35 173.11 1s89 s HIS 13 N -1.45 3.16 -0.20 3.18 3.76 -1.26 -1.65 115.29 120.83 1s89 s HIS 13 Ca 0.71 -0.81 -0.08 0.00 -0.15 0.00 0.00 55.06 54.72 1s89 s HIS 13 Cb -0.34 -3.37 -0.04 0.00 1.11 0.00 0.00 32.58 29.93 1s89 s HIS 13 CO 0.40 -0.92 0.08 0.42 -0.85 0.00 0.00 174.74 173.88 1s89 s ILE 14 N 2.04 4.86 -0.17 0.60 1.01 0.24 -0.39 121.20 129.38 1s89 s ILE 14 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1s89 s ILE 14 Cb -0.23 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1s89 s ILE 14 CO 0.08 0.42 0.12 0.00 0.00 0.00 0.00 174.94 175.56 1s89 s ALA 15 N 0.66 3.69 -0.20 9.38 0.00 -0.46 -0.35 121.76 134.47 1s89 s ALA 15 Ca 0.04 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1s89 s ALA 15 Cb -0.13 -2.05 0.03 0.00 0.00 0.00 0.00 23.12 20.97 1s89 s ALA 15 CO 0.01 0.31 -0.17 -0.51 0.00 0.00 0.00 175.76 175.40 1s89 s LEU 16 N -0.07 2.53 -0.00 0.00 1.43 0.57 -1.44 118.68 121.69 1s89 s LEU 16 Ca 0.09 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1s89 s LEU 16 Cb -0.11 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1s89 s LEU 16 CO 0.00 -0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 175.73 1s89 s VAL 17 N 1.24 0.80 -0.14 -1.59 1.01 -0.22 -3.44 120.40 118.06 1s89 s VAL 17 Ca 0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1s89 s VAL 17 Cb -0.15 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.59 1s89 s VAL 17 CO -0.11 0.19 0.37 0.00 0.00 0.00 0.00 175.10 175.56 1s89 s ALA 18 N -0.30 -0.93 0.60 5.51 0.00 -1.26 -1.18 121.76 124.21 1s89 s ALA 18 Ca 0.03 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 1s89 s ALA 18 Cb -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1s89 s ALA 18 CO -0.00 -0.19 1.03 -1.01 0.00 0.00 0.00 175.76 175.59 1s89 s HIS 19 N 0.34 3.32 0.21 0.00 3.76 -0.61 -4.76 115.29 117.55 1s89 s HIS 19 Ca -0.01 1.42 -0.17 0.00 -0.15 0.00 0.00 55.06 56.15 1s89 s HIS 19 Cb -0.03 -2.84 0.20 0.00 1.11 0.00 0.00 32.58 31.02 1s89 s HIS 19 CO -0.01 -0.82 1.60 -0.44 -0.85 0.00 0.00 174.74 174.22 1s89 h ASP 20 N 0.09 -0.91 0.04 1.40 3.32 -2.01 0.26 116.42 118.62 1s89 h ASP 20 Ca -0.45 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1s89 h ASP 20 Cb 1.20 0.51 0.00 0.00 0.22 0.00 0.00 39.33 41.26 1s89 h ASP 20 CO 0.60 -0.27 0.00 1.41 -1.72 0.00 0.00 179.24 179.26 1s89 n HIS 21 N -5.45 0.00 0.14 4.55 8.25 -1.26 -1.86 115.22 119.58 1s89 n HIS 21 Ca 0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1s89 n HIS 21 Cb 0.36 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 0.27 1.02 -0.45 0.00 1.57 -0.55 -0.67 116.57 117.75 1s89 h LYS 23 Ca 0.00 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1s89 h LYS 23 Cb 0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1s89 h LYS 23 CO 0.00 0.68 -0.26 1.96 -0.57 0.00 0.00 179.45 181.25 1s89 h GLN 24 N 1.05 0.97 -0.54 3.15 1.08 -1.86 0.60 115.11 119.57 1s89 h GLN 24 Ca 0.34 -0.44 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1s89 h GLN 24 Cb 0.04 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1s89 h GLN 24 CO -0.10 1.11 0.20 1.98 -0.95 0.00 0.00 178.83 181.07 1s89 h MET 25 N 0.82 0.78 -0.01 1.46 1.85 -1.70 -1.41 114.93 116.72 1s89 h MET 25 Ca 0.10 -0.12 -0.17 0.00 -0.61 0.00 0.00 59.70 58.90 1s89 h MET 25 Cb 0.84 -0.14 0.01 0.00 0.43 0.00 0.00 31.60 32.75 1s89 h MET 25 CO 0.07 0.65 -0.64 1.25 -0.40 0.00 0.00 176.91 177.85 1s89 h LEU 26 N 0.77 0.58 -0.32 3.39 5.85 -0.85 -2.93 115.31 121.81 1s89 h LEU 26 Ca 0.18 -0.75 0.07 0.00 0.84 0.00 0.00 57.88 58.23 1s89 h LEU 26 Cb 0.17 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1s89 h LEU 26 CO -0.02 1.25 -0.17 0.24 -0.34 0.00 0.00 178.44 179.40 1s89 h MET 27 N -0.03 -0.12 -0.90 1.25 2.86 -0.55 -0.48 114.93 116.96 1s89 h MET 27 Ca -0.08 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1s89 h MET 27 Cb 1.34 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.98 1s89 h MET 27 CO 0.13 -0.08 0.56 1.03 1.06 0.00 0.00 176.91 179.60 1s89 h SER 28 N -0.13 1.06 -0.44 1.22 0.87 -1.35 -1.24 113.55 113.53 1s89 h SER 28 Ca 0.16 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1s89 h SER 28 Cb 0.38 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1s89 h SER 28 CO -0.40 0.80 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.39 1s89 h TRP 29 N 1.23 0.97 -0.46 2.24 7.01 -1.10 -1.70 115.95 124.14 1s89 h TRP 29 Ca 0.32 -0.17 -0.14 0.00 2.11 0.00 0.00 58.89 61.02 1s89 h TRP 29 Cb -0.09 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 1s89 h TRP 29 CO 0.00 0.91 -0.24 0.28 -2.79 0.00 0.00 178.44 176.60 1s89 h VAL 30 N 0.81 1.27 -0.53 2.65 2.07 -0.63 -2.81 116.25 119.08 1s89 h VAL 30 Ca 0.14 -1.41 -0.12 0.00 0.82 0.00 0.00 66.70 66.14 1s89 h VAL 30 Cb 0.57 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1s89 h VAL 30 CO 0.03 0.48 -0.13 -0.33 0.02 0.00 0.00 177.57 177.64 1s89 h GLU 31 N 0.83 1.03 -0.11 1.57 5.08 -1.06 -0.43 114.58 121.49 1s89 h GLU 31 Ca 0.10 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1s89 h GLU 31 Cb 0.82 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1s89 h GLU 31 CO 0.07 1.09 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.94 1s89 h ARG 32 N 0.91 0.18 -0.25 2.33 2.43 -1.28 -3.00 114.38 115.70 1s89 h ARG 32 Ca 0.13 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1s89 h ARG 32 Cb 0.71 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1s89 h ARG 32 CO 0.05 0.32 0.00 0.72 -1.51 0.00 0.00 179.97 179.55 1s89 n HIS 33 N -4.29 0.82 -0.25 2.20 8.25 -1.07 -4.76 115.22 116.12 1s89 n HIS 33 Ca -0.01 -0.84 0.05 0.00 -0.26 0.00 0.00 57.72 56.65 1s89 n HIS 33 Cb 0.26 -0.27 0.18 0.00 1.12 0.00 0.00 29.99 31.27 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 1.69 0.46 -0.52 -0.41 4.15 -0.93 -0.04 115.11 119.51 1s89 h GLN 34 Ca 0.00 -0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.53 1s89 h GLN 34 Cb 1.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 1s89 h GLN 34 CO 0.18 0.30 0.37 -1.35 -1.93 0.00 0.00 178.83 176.40 1s89 h PRO 35 N 0.47 0.07 0.09 -2.39 0.11 -1.85 0.97 132.00 129.47 1s89 h PRO 35 Ca 0.40 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.24 1s89 h PRO 35 Cb 0.58 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1s89 h PRO 35 CO -0.38 0.04 -1.39 1.25 -0.21 0.00 0.00 178.00 177.32 1s89 h LEU 36 N 0.07 0.31 -1.78 2.35 5.85 -1.55 -3.37 115.31 117.19 1s89 h LEU 36 Ca 0.25 -0.82 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 1s89 h LEU 36 Cb 0.89 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1s89 h LEU 36 CO -0.02 1.60 -0.14 -0.07 -0.34 0.00 0.00 178.44 179.47 1s89 h LEU 37 N -0.40 0.00 -2.44 2.25 3.38 -0.39 -2.00 115.31 115.71 1s89 h LEU 37 Ca -0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1s89 h LEU 37 Cb 1.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1s89 h LEU 37 CO 0.02 0.14 -0.02 -0.33 0.09 0.00 0.00 178.44 178.35 1s89 h GLU 38 N 0.00 0.00 -0.00 1.13 5.08 -0.98 -1.69 114.58 118.11 1s89 h GLU 38 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s89 h GLU 38 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1s89 h GLU 38 CO 0.02 0.02 -0.16 1.04 -1.00 0.00 0.00 179.01 178.93 1s89 n GLN 39 N -3.21 0.34 -4.50 2.33 6.02 -0.75 -4.90 117.38 112.71 1s89 n GLN 39 Ca -0.02 -0.11 -0.31 0.00 -0.01 0.00 0.00 57.00 56.55 1s89 n GLN 39 Cb 0.15 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1s89 n GLN 39 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1s89 s HIS 40 N -2.74 1.77 -0.31 1.08 3.76 -0.64 -4.82 115.29 113.40 1s89 s HIS 40 Ca 0.21 -0.93 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 1s89 s HIS 40 Cb 0.19 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.16 1s89 s HIS 40 CO 0.54 0.01 0.19 0.08 -0.85 0.00 0.00 174.74 174.71 1s89 s VAL 41 N -2.85 5.07 -0.08 -0.90 1.01 -0.66 -5.01 120.40 116.98 1s89 s VAL 41 Ca 0.13 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1s89 s VAL 41 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 1s89 s VAL 41 CO 0.08 0.11 0.27 -0.76 0.00 0.00 0.00 175.10 174.80 1s89 s LEU 42 N 1.70 4.39 0.12 3.92 1.43 -1.26 -0.59 118.68 128.39 1s89 s LEU 42 Ca 0.06 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 1s89 s LEU 42 Cb -0.17 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1s89 s LEU 42 CO 0.09 0.32 -0.11 -0.31 0.23 0.00 0.00 176.35 176.57 1s89 s TYR 43 N -0.76 1.19 0.08 0.29 1.51 0.53 0.17 117.35 120.35 1s89 s TYR 43 Ca 0.18 -0.66 -0.27 0.00 -1.01 0.00 0.00 57.07 55.32 1s89 s TYR 43 Cb -0.14 -0.63 0.08 0.00 -0.11 0.00 0.00 41.96 41.16 1s89 s TYR 43 CO 0.07 0.06 0.89 0.00 -1.11 0.00 0.00 175.55 175.46 1s89 s ALA 44 N -2.58 -1.73 0.65 3.71 0.00 -0.73 -0.31 121.76 120.77 1s89 s ALA 44 Ca 0.09 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1s89 s ALA 44 Cb -0.02 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1s89 s ALA 44 CO 0.01 -0.84 1.04 0.95 0.00 0.00 0.00 175.76 176.92 1s89 s THR 45 N -3.25 4.44 0.01 0.00 -4.23 -1.22 -0.34 115.64 111.04 1s89 s THR 45 Ca 0.08 0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 61.37 1s89 s THR 45 Cb -0.01 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.12 1s89 s THR 45 CO -0.05 -1.04 0.61 0.61 -0.54 0.00 0.00 174.62 174.21 1s89 n GLY 46 N -2.51 -1.80 0.40 3.99 0.00 -0.25 -0.29 105.19 104.73 1s89 n GLY 46 Ca 0.07 0.37 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 0.12 -0.82 2.61 2.02 -1.87 -2.54 112.91 112.43 1s89 h THR 47 Ca 0.01 -0.23 0.20 0.00 0.77 0.00 0.00 66.41 67.16 1s89 h THR 47 Cb 0.02 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 66.44 1s89 h THR 47 CO -0.04 0.01 0.08 0.74 0.37 0.00 0.00 175.52 176.68 1s89 h THR 48 N -1.18 0.29 0.35 3.16 2.02 -1.86 -1.43 112.91 114.27 1s89 h THR 48 Ca -0.10 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1s89 h THR 48 Cb 0.77 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1s89 h THR 48 CO 0.16 0.02 -0.27 1.23 0.37 0.00 0.00 175.52 177.04 1s89 h GLY 49 N 0.13 -0.66 1.11 2.16 0.00 -0.56 -2.44 103.07 102.81 1s89 h GLY 49 Ca 0.48 0.30 -0.04 0.00 0.00 0.00 0.00 47.33 48.07 1s89 h GLY 49 CO -0.69 -0.25 0.34 3.43 0.00 0.00 0.00 176.54 179.36 1s89 h ASN 50 N -0.62 1.04 -0.49 0.19 2.35 -0.97 -2.11 115.58 114.96 1s89 h ASN 50 Ca -0.03 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1s89 h ASN 50 Cb 0.54 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1s89 h ASN 50 CO -0.00 0.90 0.31 -0.07 -1.65 0.00 0.00 177.43 176.92 1s89 h LEU 51 N 1.12 0.59 0.21 1.61 3.38 -1.16 -2.18 115.31 118.89 1s89 h LEU 51 Ca 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1s89 h LEU 51 Cb 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1s89 h LEU 51 CO -0.03 0.45 -0.10 0.40 0.09 0.00 0.00 178.44 179.26 1s89 h ILE 52 N 0.69 0.54 -0.92 1.22 2.04 -0.97 -2.51 117.51 117.60 1s89 h ILE 52 Ca 0.18 -1.01 0.16 0.00 1.00 0.00 0.00 64.86 65.20 1s89 h ILE 52 Cb -0.04 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 1s89 h ILE 52 CO -0.04 0.15 0.59 0.77 0.00 0.00 0.00 178.15 179.62 1s89 h SER 53 N -0.97 0.65 -0.25 1.72 4.64 -1.38 -0.05 113.55 117.90 1s89 h SER 53 Ca -0.03 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 1s89 h SER 53 Cb 0.45 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1s89 h SER 53 CO 0.05 0.30 -0.10 0.03 -0.87 0.00 0.00 176.83 176.24 1s89 h ARG 54 N 0.67 0.51 0.00 4.77 3.08 -1.46 0.33 114.38 122.28 1s89 h ARG 54 Ca 0.48 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1s89 h ARG 54 Cb 0.84 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1s89 h ARG 54 CO -0.24 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.42 1s89 h ALA 55 N 0.74 1.00 0.00 0.04 0.00 -0.86 -3.37 119.26 116.81 1s89 h ALA 55 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s89 h ALA 55 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1s89 h ALA 55 CO 0.03 0.00 -0.84 0.25 0.00 0.00 0.00 179.25 178.69 1s89 n THR 56 N -2.54 0.00 -0.44 0.00 -2.24 -0.12 -5.02 114.28 103.93 1s89 n THR 56 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1s89 n THR 56 Cb 0.44 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 2.33 1.04 3.80 3.38 0.00 0.12 -5.04 105.19 110.82 1s89 n GLY 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.41 3.20 -0.19 1.61 -1.94 -1.25 -5.00 119.30 115.31 1s89 s MET 58 Ca 0.00 1.23 -0.21 0.00 -1.71 0.00 0.00 55.69 54.99 1s89 s MET 58 Cb 0.00 -2.02 -0.02 0.00 2.01 0.00 0.00 34.83 34.80 1s89 s MET 58 CO 0.00 -0.91 0.66 -0.80 -0.01 0.00 0.00 175.02 173.97 1s89 s ASN 59 N -2.79 6.73 -0.10 3.03 0.01 -1.26 -4.29 114.94 116.26 1s89 s ASN 59 Ca 0.64 0.88 0.02 0.00 -0.71 0.00 0.00 52.86 53.69 1s89 s ASN 59 Cb -0.17 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.14 1s89 s ASN 59 CO 0.39 -0.30 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.83 1s89 s VAL 60 N 1.96 1.51 -0.82 1.60 1.01 -1.26 -4.31 120.40 120.08 1s89 s VAL 60 Ca 0.30 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1s89 s VAL 60 Cb -0.16 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1s89 s VAL 60 CO 0.11 0.44 1.39 0.20 0.00 0.00 0.00 175.10 177.24 1s89 s ASN 61 N 0.91 6.16 -0.10 3.32 0.01 0.13 -4.90 114.94 120.46 1s89 s ASN 61 Ca -0.08 -0.69 -0.25 0.00 -0.71 0.00 0.00 52.86 51.12 1s89 s ASN 61 Cb -0.15 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 1s89 s ASN 61 CO -0.00 -1.81 0.81 0.00 -1.51 0.00 0.00 177.10 174.59 1s89 s ALA 62 N 5.90 3.39 0.28 0.60 0.00 -1.26 -1.77 121.76 128.90 1s89 s ALA 62 Ca 0.42 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1s89 s ALA 62 Cb -0.06 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1s89 s ALA 62 CO 0.08 -0.39 0.00 -1.33 0.00 0.00 0.00 175.76 174.12 1s89 n MET 63 N 4.49 1.26 -1.36 0.00 0.00 0.53 -4.84 117.12 117.21 1s89 n MET 63 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.43 1s89 n MET 63 Cb 0.50 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.83 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 2.59 0.56 4.03 1.43 -1.26 -1.09 118.68 124.95 1s89 s LEU 64 Ca 0.00 1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 54.40 1s89 s LEU 64 Cb 0.00 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.09 1s89 s LEU 64 CO 0.00 -2.20 1.25 -0.55 0.23 0.00 0.00 176.35 175.08 1s89 s SER 65 N -3.60 5.31 0.11 2.29 0.15 -1.26 -1.38 113.70 115.32 1s89 s SER 65 Ca 0.62 2.51 -0.28 0.00 0.70 0.00 0.00 55.95 59.50 1s89 s SER 65 Cb -0.16 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.44 1s89 s SER 65 CO 0.56 -1.52 1.46 1.23 1.20 0.00 0.00 173.24 176.17 1s89 h GLY 66 N 1.22 -1.16 0.78 9.45 0.00 -1.92 0.16 103.07 111.59 1s89 h GLY 66 Ca -0.50 0.75 0.16 0.00 0.00 0.00 0.00 47.33 47.74 1s89 h GLY 66 CO 0.56 -0.21 0.45 -2.55 0.00 0.00 0.00 176.54 174.80 1s89 h PRO 67 N -0.30 0.13 -0.12 4.80 0.11 -1.96 -0.75 132.00 133.91 1s89 h PRO 67 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1s89 h PRO 67 Cb 0.48 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1s89 h PRO 67 CO -0.53 0.09 0.00 -1.33 -0.21 0.00 0.00 178.00 176.01 1s89 n MET 68 N -4.40 1.73 0.00 1.05 2.81 -0.62 -4.89 117.12 112.80 1s89 n MET 68 Ca 0.12 -1.09 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1s89 n MET 68 Cb 0.62 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 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 1.16 0.85 0.35 3.03 0.00 -0.31 -4.86 105.19 105.41 1s89 n GLY 69 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 1.46 1.02 -0.02 0.00 -0.51 -1.83 103.07 103.18 1s89 h GLY 70 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1s89 h GLY 70 CO 0.00 0.27 0.47 -0.55 0.00 0.00 0.00 176.54 176.73 1s89 h ASP 71 N 1.05 1.03 0.74 0.19 3.45 -1.80 -1.19 116.42 119.90 1s89 h ASP 71 Ca 0.42 -0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.65 1s89 h ASP 71 Cb 0.23 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1s89 h ASP 71 CO -0.19 0.83 -0.66 1.56 -1.57 0.00 0.00 179.24 179.21 1s89 h GLN 72 N 1.16 0.00 -0.40 3.56 4.20 -1.78 -0.10 115.11 121.75 1s89 h GLN 72 Ca 0.29 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 1s89 h GLN 72 Cb 0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1s89 h GLN 72 CO -0.05 0.66 0.05 1.96 -0.67 0.00 0.00 178.83 180.78 1s89 h GLN 73 N 0.00 0.68 -0.29 1.46 4.20 -0.84 -0.09 115.11 120.22 1s89 h GLN 73 Ca -0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1s89 h GLN 73 Cb 1.21 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1s89 h GLN 73 CO 0.09 0.74 0.08 0.28 -0.67 0.00 0.00 178.83 179.35 1s89 h VAL 74 N 0.52 1.21 -0.79 -0.54 2.07 -0.99 -1.33 116.25 116.40 1s89 h VAL 74 Ca 0.12 -0.67 0.10 0.00 0.82 0.00 0.00 66.70 67.08 1s89 h VAL 74 Cb 0.40 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 1s89 h VAL 74 CO 0.01 0.22 0.42 1.23 0.02 0.00 0.00 177.57 179.48 1s89 h GLY 75 N 0.31 1.22 0.95 2.17 0.00 -0.80 0.54 103.07 107.46 1s89 h GLY 75 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1s89 h GLY 75 CO -0.00 0.07 0.18 0.00 0.00 0.00 0.00 176.54 176.80 1s89 h ALA 76 N 1.46 0.55 -0.83 3.60 0.00 -0.67 -1.01 119.26 122.36 1s89 h ALA 76 Ca 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1s89 h ALA 76 Cb 0.42 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1s89 h ALA 76 CO -0.28 0.13 0.54 -0.07 0.00 0.00 0.00 179.25 179.58 1s89 h LEU 77 N 0.54 0.96 -0.11 0.00 3.38 -0.34 -1.62 115.31 118.12 1s89 h LEU 77 Ca 0.14 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1s89 h LEU 77 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1s89 h LEU 77 CO -0.01 0.70 0.06 0.40 0.09 0.00 0.00 178.44 179.68 1s89 h ILE 78 N 1.13 1.06 0.00 1.22 2.04 -0.46 -0.84 117.51 121.65 1s89 h ILE 78 Ca 0.30 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1s89 h ILE 78 Cb -0.12 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1s89 h ILE 78 CO -0.06 0.05 -0.01 0.77 0.00 0.00 0.00 178.15 178.90 1s89 h SER 79 N 0.11 0.00 -0.30 1.72 4.64 -0.87 -0.96 113.55 117.89 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1s89 h SER 79 CO -0.01 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1s89 n GLU 80 N -3.12 2.11 -1.13 4.77 1.02 -0.64 -4.93 120.64 118.73 1s89 n GLU 80 Ca -0.01 -1.69 -0.04 0.00 -0.02 0.00 0.00 57.16 55.40 1s89 n GLU 80 Cb 0.18 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.31 0.71 0.01 0.62 0.00 -0.37 -4.91 105.19 102.56 1s89 n GLY 81 Ca 0.17 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.53 0.06 -5.24 1.61 5.02 -0.39 -4.83 118.16 111.85 1s89 n LYS 82 Ca -0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 1s89 n LYS 82 Cb 0.19 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.04 2.05 -0.04 -0.18 -1.09 -1.22 -4.78 121.20 112.90 1s89 s ILE 83 Ca 0.09 -1.05 0.12 0.00 -2.23 0.00 0.00 60.65 57.58 1s89 s ILE 83 Cb 0.16 -1.75 -0.18 0.00 -1.58 0.00 0.00 42.46 39.11 1s89 s ILE 83 CO 0.76 0.56 0.23 0.47 -1.23 0.00 0.00 174.94 175.73 1s89 n ASP 84 N 3.17 2.14 -3.80 3.58 8.00 0.47 -4.77 116.55 125.34 1s89 n ASP 84 Ca -0.18 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 1s89 n ASP 84 Cb 0.52 1.41 -0.14 0.00 -0.02 0.00 0.00 41.12 42.89 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 -2.75 -0.03 -0.17 2.53 1.01 -1.05 -3.79 120.40 116.16 1s89 s VAL 85 Ca -0.05 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1s89 s VAL 85 Cb 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.32 1s89 s VAL 85 CO 0.51 0.04 -0.14 -0.22 0.00 0.00 0.00 175.10 175.30 1s89 s LEU 86 N 0.61 2.52 -0.33 3.92 2.96 -0.20 -1.36 118.68 126.81 1s89 s LEU 86 Ca -0.05 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1s89 s LEU 86 Cb -0.07 -1.59 0.07 0.00 0.50 0.00 0.00 46.19 45.10 1s89 s LEU 86 CO -0.02 0.06 0.04 -0.63 -1.32 0.00 0.00 176.35 174.48 1s89 s ILE 87 N 0.98 2.93 -0.31 6.68 -1.09 -0.52 -0.19 121.20 129.68 1s89 s ILE 87 Ca -0.02 -1.65 0.00 0.00 -2.23 0.00 0.00 60.65 56.75 1s89 s ILE 87 Cb -0.15 -2.80 0.10 0.00 -1.58 0.00 0.00 42.46 38.02 1s89 s ILE 87 CO -0.02 -0.28 0.08 0.12 -1.23 0.00 0.00 174.94 173.61 1s89 s PHE 88 N 1.18 2.11 -0.90 3.97 5.99 0.55 -1.05 117.98 129.83 1s89 s PHE 88 Ca -0.01 -1.96 -0.18 0.00 0.00 0.00 0.00 56.93 54.78 1s89 s PHE 88 Cb -0.20 -1.92 0.14 0.00 0.00 0.00 0.00 43.02 41.03 1s89 s PHE 88 CO -0.03 -0.88 1.06 -0.06 -0.00 0.00 0.00 175.22 175.32 1s89 s PHE 89 N 1.48 3.19 0.24 10.12 2.99 -0.32 -4.19 117.98 131.49 1s89 s PHE 89 Ca 0.09 -1.44 -0.07 0.00 0.00 0.00 0.00 56.93 55.51 1s89 s PHE 89 Cb -0.18 -4.21 -0.06 0.00 0.00 0.00 0.00 43.02 38.57 1s89 s PHE 89 CO -0.21 -1.42 0.52 1.67 -0.00 0.00 0.00 175.22 175.78 1s89 s TRP 90 N 2.38 3.45 -0.29 0.36 1.48 -1.26 -1.58 118.94 123.49 1s89 s TRP 90 Ca 0.30 0.72 -0.29 0.00 -1.06 0.00 0.00 56.10 55.77 1s89 s TRP 90 Cb -0.06 -2.15 -0.00 0.00 -1.16 0.00 0.00 33.47 30.10 1s89 s TRP 90 CO -0.08 0.26 1.31 0.34 -4.06 0.00 0.00 176.95 174.71 1s89 s ASP 91 N -2.71 6.67 0.00 -2.66 -1.08 -1.26 -4.90 116.67 110.74 1s89 s ASP 91 Ca 0.45 1.25 0.29 0.00 -0.52 0.00 0.00 52.55 54.02 1s89 s ASP 91 Cb -0.11 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 40.12 1s89 s ASP 91 CO 0.25 -1.07 1.89 -0.81 0.52 0.00 0.00 175.17 175.96 1s89 n PRO 92 N 7.29 1.41 -0.09 4.34 -0.04 -1.26 -3.87 135.00 142.79 1s89 n PRO 92 Ca 0.15 -0.64 0.05 0.00 -0.04 0.00 0.00 63.50 63.02 1s89 n PRO 92 Cb 0.46 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.24 1.80 -3.27 1.53 4.77 -1.26 -4.99 117.00 115.34 1s89 n LEU 93 Ca 0.20 -2.27 -0.04 0.00 -0.03 0.00 0.00 56.01 53.88 1s89 n LEU 93 Cb 0.28 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1s89 n LEU 93 CO 0.17 0.54 0.04 0.20 -1.33 0.00 0.00 177.39 177.01 1s89 s ASN 94 N -1.83 -0.44 0.76 -1.43 0.01 -1.25 -5.15 114.94 105.61 1s89 s ASN 94 Ca 0.15 0.51 -0.16 0.00 -0.71 0.00 0.00 52.86 52.66 1s89 s ASN 94 Cb 0.13 1.56 -0.04 0.00 0.41 0.00 0.00 41.25 43.32 1s89 s ASN 94 CO 0.01 -0.28 0.45 0.00 -1.51 0.00 0.00 177.10 175.77 1s89 n ALA 95 N 5.39 -1.83 -2.16 0.60 0.00 -1.26 -4.81 120.51 116.44 1s89 n ALA 95 Ca -0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1s89 n ALA 95 Cb 0.50 -1.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 1s89 n ALA 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s89 s VAL 96 N -1.98 0.59 0.11 0.00 -7.23 -1.26 -5.07 120.40 105.56 1s89 s VAL 96 Ca 0.63 -1.90 -0.17 0.00 -1.81 0.00 0.00 61.98 58.72 1s89 s VAL 96 Cb -0.33 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1s89 s VAL 96 CO 0.60 -0.90 1.59 -0.65 -0.31 0.00 0.00 175.10 175.44 1s89 h PRO 97 N 3.01 0.50 -1.57 4.82 0.11 -2.04 -3.13 132.00 133.70 1s89 h PRO 97 Ca -0.35 -0.13 -0.40 0.00 0.11 0.00 0.00 66.00 65.24 1s89 h PRO 97 Cb 1.16 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 1s89 h PRO 97 CO 0.65 0.58 0.46 0.27 -0.21 0.00 0.00 178.00 179.75 1s89 n ASN 98 N -4.64 6.60 -0.25 -2.05 0.23 -1.26 -4.56 115.26 109.33 1s89 n ASN 98 Ca -0.02 -3.17 -0.03 0.00 -0.53 0.00 0.00 54.58 50.83 1s89 n ASN 98 Cb 0.20 -1.09 0.09 0.00 -2.08 0.00 0.00 39.78 36.90 1s89 n ASN 98 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1s89 h ASP 99 N 1.85 0.71 -0.41 0.53 1.82 -1.98 -1.39 116.42 117.56 1s89 h ASP 99 Ca 0.34 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 1s89 h ASP 99 Cb 0.86 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.70 1s89 h ASP 99 CO 0.87 0.49 0.17 1.55 -1.61 0.00 0.00 179.24 180.71 1s89 h PRO 100 N 0.85 0.67 -0.64 0.28 0.13 -1.90 -1.37 132.00 130.03 1s89 h PRO 100 Ca 0.29 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1s89 h PRO 100 Cb 0.05 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.04 1s89 h PRO 100 CO -0.12 0.57 0.09 -0.44 -0.23 0.00 0.00 178.00 177.87 1s89 h ASP 101 N 0.67 1.01 0.34 1.44 5.19 -1.72 -0.55 116.42 122.80 1s89 h ASP 101 Ca 0.16 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1s89 h ASP 101 Cb 0.16 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1s89 h ASP 101 CO -0.01 1.01 -0.16 0.58 -3.12 0.00 0.00 179.24 177.53 1s89 h VAL 102 N 0.99 0.68 -0.47 -1.35 2.07 -0.65 -0.78 116.25 116.74 1s89 h VAL 102 Ca 0.19 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1s89 h VAL 102 Cb 0.44 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1s89 h VAL 102 CO 0.01 0.02 0.17 0.11 0.02 0.00 0.00 177.57 177.91 1s89 h LYS 103 N -0.51 0.67 -0.20 1.57 6.56 -1.14 -1.94 116.57 121.57 1s89 h LYS 103 Ca -0.05 -0.10 -0.15 0.00 -1.06 0.00 0.00 60.65 59.30 1s89 h LYS 103 Cb 0.39 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 1s89 h LYS 103 CO 0.08 0.57 -0.50 0.00 -2.06 0.00 0.00 179.45 177.54 1s89 h ALA 104 N 1.52 0.77 -0.09 3.86 0.00 -0.97 -1.52 119.26 122.84 1s89 h ALA 104 Ca 0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1s89 h ALA 104 Cb 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1s89 h ALA 104 CO -0.01 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.16 1s89 h LEU 105 N 0.42 0.15 -1.43 0.00 5.85 -0.69 -2.28 115.31 117.34 1s89 h LEU 105 Ca 0.02 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1s89 h LEU 105 Cb 1.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1s89 h LEU 105 CO 0.09 0.42 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.39 1s89 h LEU 106 N -0.12 0.18 -0.13 2.25 3.38 -1.32 -1.96 115.31 117.59 1s89 h LEU 106 Ca 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1s89 h LEU 106 Cb 0.34 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s89 h LEU 106 CO 0.00 0.35 -0.01 -0.09 0.09 0.00 0.00 178.44 178.79 1s89 h ARG 107 N 0.18 0.23 -0.75 1.13 2.43 -1.16 -2.26 114.38 114.18 1s89 h ARG 107 Ca 0.04 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1s89 h ARG 107 Cb 0.38 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1s89 h ARG 107 CO 0.02 0.49 0.31 -0.07 -1.51 0.00 0.00 179.97 179.22 1s89 h LEU 108 N -0.05 1.02 -1.58 3.80 3.38 -1.14 0.01 115.31 120.75 1s89 h LEU 108 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1s89 h LEU 108 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1s89 h LEU 108 CO 0.01 0.90 -0.16 0.00 0.09 0.00 0.00 178.44 179.28 1s89 h ALA 109 N 1.25 1.65 -0.08 1.53 0.00 -1.30 0.30 119.26 122.61 1s89 h ALA 109 Ca 0.25 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1s89 h ALA 109 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1s89 h ALA 109 CO -0.02 0.26 -0.31 1.15 0.00 0.00 0.00 179.25 180.32 1s89 h THR 110 N 0.06 1.41 -0.19 0.00 2.02 -0.74 -2.91 112.91 112.57 1s89 h THR 110 Ca 0.01 -1.69 0.02 0.00 0.77 0.00 0.00 66.41 65.52 1s89 h THR 110 Cb 0.33 2.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 1s89 h THR 110 CO 0.02 0.49 0.05 0.58 0.37 0.00 0.00 175.52 177.03 1s89 h VAL 111 N -0.13 0.94 -0.09 3.16 2.07 -0.33 -2.56 116.25 119.31 1s89 h VAL 111 Ca -0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1s89 h VAL 111 Cb 0.95 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1s89 h VAL 111 CO 0.07 0.02 0.00 0.79 0.02 0.00 0.00 177.57 178.47 1s89 n TRP 112 N -5.07 0.12 -3.92 1.57 7.02 0.03 -4.59 117.44 112.60 1s89 n TRP 112 Ca -0.03 -0.06 -0.26 0.00 -1.02 0.00 0.00 57.50 56.13 1s89 n TRP 112 Cb 0.08 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.96 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 -0.86 -4.78 -0.99 5.15 -0.96 -4.84 115.26 107.71 1s89 n ASN 113 Ca 0.06 -1.01 -0.27 0.00 -0.60 0.00 0.00 54.58 52.77 1s89 n ASN 113 Cb 0.10 -3.09 -0.06 0.00 -0.53 0.00 0.00 39.78 36.20 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 -3.90 4.41 0.12 -1.44 -4.36 -1.14 -4.85 121.20 110.03 1s89 s ILE 114 Ca 0.05 -1.07 -0.31 0.00 -0.26 0.00 0.00 60.65 59.07 1s89 s ILE 114 Cb -0.02 -3.23 -0.10 0.00 1.25 0.00 0.00 42.46 40.36 1s89 s ILE 114 CO 0.89 -0.07 1.84 -2.84 0.24 0.00 0.00 174.94 174.99 1s89 s PRO 115 N -2.97 4.14 -0.04 0.37 0.02 -1.25 -4.85 135.00 130.42 1s89 s PRO 115 Ca 0.30 2.59 0.04 0.00 0.02 0.00 0.00 61.00 63.95 1s89 s PRO 115 Cb -0.10 -3.64 -0.00 0.00 0.02 0.00 0.00 34.50 30.78 1s89 s PRO 115 CO 0.23 -0.85 -0.15 0.08 -0.33 0.00 0.00 177.00 175.98 1s89 s VAL 116 N 2.87 1.22 -0.08 3.83 1.01 -1.26 -1.03 120.40 126.96 1s89 s VAL 116 Ca 0.81 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1s89 s VAL 116 Cb -0.46 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1s89 s VAL 116 CO 0.37 0.36 -0.16 0.00 0.00 0.00 0.00 175.10 175.67 1s89 s ALA 117 N 0.05 1.57 -0.72 5.51 0.00 0.74 -4.95 121.76 123.96 1s89 s ALA 117 Ca -0.03 -0.61 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1s89 s ALA 117 Cb -0.10 -0.69 0.18 0.00 0.00 0.00 0.00 23.12 22.51 1s89 s ALA 117 CO 0.01 0.10 1.08 0.25 0.00 0.00 0.00 175.76 177.20 1s89 n THR 118 N 3.85 0.77 -3.94 0.00 -2.24 -1.26 -0.33 114.28 111.13 1s89 n THR 118 Ca -0.21 -0.88 -0.09 0.00 -2.27 0.00 0.00 64.05 60.60 1s89 n THR 118 Cb 0.52 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.92 -0.14 0.19 3.42 2.20 -1.26 -4.49 114.94 113.93 1s89 s ASN 119 Ca 0.14 -0.81 -0.11 0.00 -0.94 0.00 0.00 52.86 51.15 1s89 s ASN 119 Cb 0.08 0.62 0.11 0.00 -2.00 0.00 0.00 41.25 40.05 1s89 s ASN 119 CO 0.11 -1.17 1.78 0.58 -2.94 0.00 0.00 177.10 175.45 1s89 h VAL 120 N 2.20 1.22 -0.51 3.54 2.07 -1.97 -2.05 116.25 120.75 1s89 h VAL 120 Ca -0.25 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1s89 h VAL 120 Cb 1.25 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1s89 h VAL 120 CO 0.33 0.26 0.31 0.00 0.02 0.00 0.00 177.57 178.49 1s89 h ALA 121 N 1.15 0.65 -0.51 1.67 0.00 -1.99 0.36 119.26 120.60 1s89 h ALA 121 Ca 0.23 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1s89 h ALA 121 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1s89 h ALA 121 CO -0.03 0.14 -0.08 1.15 0.00 0.00 0.00 179.25 180.44 1s89 h THR 122 N 0.69 1.27 -0.76 0.00 2.02 -1.96 -2.03 112.91 112.14 1s89 h THR 122 Ca 0.18 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1s89 h THR 122 Cb -0.01 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1s89 h THR 122 CO -0.03 0.42 0.43 0.00 0.37 0.00 0.00 175.52 176.70 1s89 h ALA 123 N 0.91 0.97 -0.35 6.16 0.00 -0.99 -0.96 119.26 125.00 1s89 h ALA 123 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1s89 h ALA 123 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1s89 h ALA 123 CO 0.04 0.47 0.09 -0.44 0.00 0.00 0.00 179.25 179.41 1s89 h ASP 124 N 1.05 0.53 -0.65 0.00 3.32 -0.77 -1.86 116.42 118.04 1s89 h ASP 124 Ca 0.27 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1s89 h ASP 124 Cb 0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1s89 h ASP 124 CO -0.04 0.62 0.42 -0.26 -1.72 0.00 0.00 179.24 178.26 1s89 h PHE 125 N 0.41 0.80 0.02 4.55 -1.00 -1.02 -1.48 116.94 119.22 1s89 h PHE 125 Ca 0.11 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1s89 h PHE 125 Cb 0.30 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1s89 h PHE 125 CO 0.02 0.50 -0.01 0.82 -1.61 0.00 0.00 178.31 178.02 1s89 h ILE 126 N 0.86 1.13 0.00 -0.55 2.04 -1.09 -2.56 117.51 117.34 1s89 h ILE 126 Ca 0.24 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1s89 h ILE 126 Cb -0.08 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1s89 h ILE 126 CO -0.06 0.11 -0.10 -0.29 0.00 0.00 0.00 178.15 177.82 1s89 h ILE 127 N -0.22 0.35 -0.01 -0.67 2.10 -1.23 -1.99 117.51 115.84 1s89 h ILE 127 Ca -0.00 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.35 1s89 h ILE 127 Cb 0.21 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 37.37 1s89 h ILE 127 CO 0.00 0.10 -0.16 0.00 -1.08 0.00 0.00 178.15 177.01 1s89 n GLN 128 N -3.37 1.39 -2.29 2.19 6.02 -0.57 -4.87 117.38 115.88 1s89 n GLN 128 Ca -0.01 -0.93 -0.41 0.00 -0.01 0.00 0.00 57.00 55.64 1s89 n GLN 128 Cb 0.28 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.25 7.00 0.29 1.08 0.15 -0.75 -4.93 113.70 114.29 1s89 s SER 129 Ca 0.29 2.39 0.04 0.00 0.70 0.00 0.00 55.95 59.37 1s89 s SER 129 Cb 0.20 -2.62 0.74 0.00 -1.71 0.00 0.00 66.02 62.62 1s89 s SER 129 CO 0.43 -0.40 1.70 1.55 1.20 0.00 0.00 173.24 177.72 1s89 h PRO 130 N 4.60 0.40 -0.36 5.44 0.13 -1.91 -0.91 132.00 139.40 1s89 h PRO 130 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s89 h PRO 130 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1s89 h PRO 130 CO 0.72 0.27 0.00 0.72 -0.23 0.00 0.00 178.00 179.48 1s89 n HIS 131 N -5.03 0.29 -0.05 1.56 8.25 -1.26 -3.79 115.22 115.18 1s89 n HIS 131 Ca 0.22 -0.12 -0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1s89 n HIS 131 Cb 0.66 -0.05 0.16 0.00 1.12 0.00 0.00 29.99 31.88 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 0.95 0.73 -0.67 4.41 3.57 -1.44 -2.57 116.94 121.93 1s89 h PHE 132 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1s89 h PHE 132 Cb 0.38 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1s89 h PHE 132 CO 0.15 0.77 0.00 0.09 -2.23 0.00 0.00 178.31 177.09 1s89 n ASN 133 N -4.16 4.44 -4.63 0.41 3.02 -1.25 -4.71 115.26 108.38 1s89 n ASN 133 Ca 0.01 -2.30 -0.25 0.00 -0.03 0.00 0.00 54.58 52.01 1s89 n ASN 133 Cb 0.37 -0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.92 4.12 -0.03 6.41 1.01 -0.97 -4.72 116.67 121.57 1s89 s ASP 134 Ca 0.50 -1.05 -0.25 0.00 0.71 0.00 0.00 52.55 52.46 1s89 s ASP 134 Cb 0.30 -0.50 -0.04 0.00 1.01 0.00 0.00 42.92 43.70 1s89 s ASP 134 CO 0.27 -0.27 0.76 0.00 0.21 0.00 0.00 175.17 176.14 1s89 s ALA 135 N -2.55 3.32 -0.07 5.23 0.00 -1.26 -4.08 121.76 122.35 1s89 s ALA 135 Ca 0.35 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 1s89 s ALA 135 Cb 0.01 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.13 1s89 s ALA 135 CO 0.19 -0.08 0.25 0.54 0.00 0.00 0.00 175.76 176.67 1s89 s VAL 136 N 0.62 0.02 0.43 0.00 0.11 -0.86 -4.95 120.40 115.77 1s89 s VAL 136 Ca 0.40 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 59.10 1s89 s VAL 136 Cb -0.19 -0.43 -0.08 0.00 -1.53 0.00 0.00 36.38 34.15 1s89 s VAL 136 CO 0.21 -0.11 0.85 -1.81 -3.33 0.00 0.00 175.10 170.90 1s89 s ASP 137 N -0.40 6.64 0.05 3.54 1.01 -1.26 -0.27 116.67 125.99 1s89 s ASP 137 Ca -0.05 1.35 0.03 0.00 0.71 0.00 0.00 52.55 54.59 1s89 s ASP 137 Cb -0.03 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1s89 s ASP 137 CO 0.01 -0.42 -0.09 0.27 0.21 0.00 0.00 175.17 175.15 1s89 s ILE 138 N -2.36 0.68 0.06 0.77 -4.36 -0.17 -4.91 121.20 110.90 1s89 s ILE 138 Ca 0.55 -1.14 -0.27 0.00 -0.26 0.00 0.00 60.65 59.54 1s89 s ILE 138 Cb -0.10 -0.72 -0.05 0.00 1.25 0.00 0.00 42.46 42.84 1s89 s ILE 138 CO 0.27 -0.35 0.84 -0.76 0.24 0.00 0.00 174.94 175.18 1s89 s LEU 139 N -1.62 4.45 0.12 0.37 2.01 -1.26 -1.78 118.68 120.97 1s89 s LEU 139 Ca -0.08 1.56 0.05 0.00 0.01 0.00 0.00 54.13 55.67 1s89 s LEU 139 Cb -0.10 -3.36 -0.04 0.00 0.01 0.00 0.00 46.19 42.70 1s89 s LEU 139 CO 0.01 -0.04 -0.12 0.27 1.01 0.00 0.00 176.35 177.48 1s89 s ILE 140 N 0.08 1.19 0.59 -0.59 -4.36 0.43 -4.70 121.20 113.84 1s89 s ILE 140 Ca 0.42 -1.73 -0.19 0.00 -0.26 0.00 0.00 60.65 58.88 1s89 s ILE 140 Cb -0.21 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 1s89 s ILE 140 CO 0.25 -0.50 1.25 -2.16 0.24 0.00 0.00 174.94 174.02 1s89 s PRO 141 N -2.84 2.93 -0.95 0.37 0.04 -1.26 -0.35 135.00 132.95 1s89 s PRO 141 Ca 0.09 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 1s89 s PRO 141 Cb -0.03 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.65 1s89 s PRO 141 CO 0.02 -1.27 1.17 0.34 0.04 0.00 0.00 177.00 177.30 1s89 s ASP 142 N -1.42 6.64 0.15 6.66 -1.08 -0.15 -4.55 116.67 122.92 1s89 s ASP 142 Ca 0.77 -2.06 -0.25 0.00 -0.52 0.00 0.00 52.55 50.49 1s89 s ASP 142 Cb -0.34 -2.41 0.01 0.00 -1.46 0.00 0.00 42.92 38.72 1s89 s ASP 142 CO 0.37 -1.08 1.60 0.22 0.52 0.00 0.00 175.17 176.80 1s89 h TYR 143 N 8.80 -0.99 -0.57 -5.34 3.20 -1.90 -0.25 116.97 119.91 1s89 h TYR 143 Ca 0.17 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.20 1s89 h TYR 143 Cb 1.01 0.48 -0.11 0.00 1.54 0.00 0.00 36.73 39.65 1s89 h TYR 143 CO 1.17 -0.41 -0.31 1.96 -1.64 0.00 0.00 178.16 178.93 1s89 h GLN 144 N -0.35 -0.15 -0.73 1.82 1.08 -1.99 0.64 115.11 115.44 1s89 h GLN 144 Ca 0.13 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1s89 h GLN 144 Cb 0.56 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 1s89 h GLN 144 CO -0.46 -0.10 0.30 0.00 -0.95 0.00 0.00 178.83 177.62 1s89 h ARG 145 N -0.15 1.08 -0.50 1.46 -0.00 -1.84 -1.24 114.38 113.19 1s89 h ARG 145 Ca 0.24 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.98 59.51 1s89 h ARG 145 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 30.30 1s89 h ARG 145 CO -0.66 0.88 0.24 -0.92 0.00 0.00 0.00 179.97 179.50 1s89 h TYR 146 N 1.06 0.72 -0.35 3.04 3.20 0.94 -2.37 116.97 123.21 1s89 h TYR 146 Ca 0.25 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1s89 h TYR 146 Cb 0.19 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1s89 h TYR 146 CO 0.02 0.57 -0.00 1.25 -1.64 0.00 0.00 178.16 178.36 1s89 h LEU 147 N 0.66 0.60 -0.40 2.82 5.85 0.50 -2.90 115.31 122.44 1s89 h LEU 147 Ca 0.17 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1s89 h LEU 147 Cb 0.13 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1s89 h LEU 147 CO -0.02 0.76 0.08 0.00 -0.34 0.00 0.00 178.44 178.93 1s89 h ALA 148 N 0.86 0.43 -1.00 1.25 0.00 -1.11 0.46 119.26 120.15 1s89 h ALA 148 Ca 0.10 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1s89 h ALA 148 Cb 0.45 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1s89 h ALA 148 CO 0.02 -0.32 0.62 0.22 0.00 0.00 0.00 179.25 179.79 1s89 h ASP 149 N 0.21 0.85 -0.51 0.00 1.82 -1.37 -1.22 116.42 116.20 1s89 h ASP 149 Ca 0.19 0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.81 1s89 h ASP 149 Cb 0.23 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1s89 h ASP 149 CO -0.25 0.40 -0.01 0.03 -1.61 0.00 0.00 179.24 177.80 1s89 h ARG 150 N 0.88 0.92 -0.58 0.28 2.47 -0.77 -2.83 114.38 114.75 1s89 h ARG 150 Ca 0.52 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1s89 h ARG 150 Cb 0.67 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1s89 h ARG 150 CO -0.30 0.95 0.00 1.28 0.56 0.00 0.00 179.97 182.46 1s89 n LEU 151 N -4.29 1.39 -0.24 3.04 4.77 -0.38 -5.12 117.00 116.18 1s89 n LEU 151 Ca 0.01 -0.70 0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1s89 n LEU 151 Cb 0.33 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1s89 n LEU 151 CO 0.43 0.26 0.35 1.17 -1.33 0.00 0.00 177.39 178.27