#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnl s PRO 6 N 0.00 3.91 0.33 3.44 0.04 -1.26 -5.00 135.00 136.45 1rnl s PRO 6 Ca 0.00 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 1rnl s PRO 6 Cb 0.00 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1rnl s PRO 6 CO 0.00 -0.30 1.33 0.00 0.04 0.00 0.00 177.00 178.07 1rnl s ALA 7 N -2.58 3.51 -0.01 8.56 0.00 -0.14 -4.79 121.76 126.31 1rnl s ALA 7 Ca 0.59 1.29 -0.10 0.00 0.00 0.00 0.00 51.96 53.74 1rnl s ALA 7 Cb -0.10 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1rnl s ALA 7 CO 0.31 -0.68 0.32 0.95 0.00 0.00 0.00 175.76 176.65 1rnl s THR 8 N -1.02 5.21 -0.06 0.00 -4.23 -1.26 -0.75 115.64 113.53 1rnl s THR 8 Ca 0.50 0.46 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 1rnl s THR 8 Cb -0.40 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 69.85 1rnl s THR 8 CO 0.53 0.47 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.34 1rnl s ILE 9 N -1.19 1.05 -0.22 2.99 1.01 0.08 -1.31 121.20 123.60 1rnl s ILE 9 Ca 0.25 -0.43 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1rnl s ILE 9 Cb -0.14 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1rnl s ILE 9 CO 0.13 0.33 0.02 -0.22 0.00 0.00 0.00 174.94 175.20 1rnl s LEU 10 N 0.64 3.30 -0.28 2.97 2.96 0.16 -0.94 118.68 127.49 1rnl s LEU 10 Ca -0.13 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 1rnl s LEU 10 Cb -0.15 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1rnl s LEU 10 CO 0.03 0.03 0.19 -0.76 -1.32 0.00 0.00 176.35 174.52 1rnl s LEU 11 N 1.20 4.03 -0.26 -0.68 1.43 -0.66 -0.19 118.68 123.56 1rnl s LEU 11 Ca 0.03 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1rnl s LEU 11 Cb -0.14 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.02 1rnl s LEU 11 CO 0.02 -0.06 -0.10 -0.63 0.23 0.00 0.00 176.35 175.80 1rnl s ILE 12 N 1.75 2.07 0.15 -0.59 1.01 0.10 -0.96 121.20 124.74 1rnl s ILE 12 Ca 0.07 -1.58 -0.24 0.00 0.00 0.00 0.00 60.65 58.89 1rnl s ILE 12 Cb -0.16 -2.21 0.07 0.00 0.01 0.00 0.00 42.46 40.17 1rnl s ILE 12 CO 0.11 -0.05 1.03 1.51 0.00 0.00 0.00 174.94 177.53 1rnl s ASP 13 N 1.14 -0.09 -0.38 3.58 1.47 -0.45 -1.48 116.67 120.47 1rnl s ASP 13 Ca -0.08 -0.50 0.11 0.00 1.18 0.00 0.00 52.55 53.26 1rnl s ASP 13 Cb -0.20 0.46 0.35 0.00 -0.34 0.00 0.00 42.92 43.19 1rnl s ASP 13 CO -0.05 -0.89 0.79 -0.67 0.68 0.00 0.00 175.17 175.04 1rnl n ASP 14 N -0.80 0.35 -3.12 2.11 -0.08 -1.26 -3.68 116.55 110.07 1rnl n ASP 14 Ca -0.05 -3.11 -0.18 0.00 -1.51 0.00 0.00 54.79 49.94 1rnl n ASP 14 Cb 0.60 -0.23 -0.05 0.00 2.34 0.00 0.00 41.12 43.78 1rnl n ASP 14 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1rnl n HIS 15 N 0.28 -2.00 -0.29 -0.67 -0.00 -1.26 -4.88 115.22 106.40 1rnl n HIS 15 Ca 0.22 -2.59 -0.06 0.00 0.46 0.00 0.00 57.72 55.75 1rnl n HIS 15 Cb 0.67 0.69 -0.05 0.00 -0.12 0.00 0.00 29.99 31.18 1rnl n HIS 15 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1rnl n PRO 16 N 2.66 -0.28 0.22 1.57 -0.02 -1.26 -1.14 135.00 136.75 1rnl n PRO 16 Ca 0.24 1.07 0.05 0.00 -2.02 0.00 0.00 63.50 62.85 1rnl n PRO 16 Cb 0.52 -1.58 0.51 0.00 -0.02 0.00 0.00 33.50 32.93 1rnl n PRO 16 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1rnl h MET 17 N 0.00 0.00 -0.09 -0.52 2.86 -1.98 0.37 114.93 115.57 1rnl h MET 17 Ca 0.14 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1rnl h MET 17 Cb 0.32 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1rnl h MET 17 CO -0.67 0.19 -0.14 1.25 1.06 0.00 0.00 176.91 178.59 1rnl h LEU 18 N 0.00 0.28 -0.99 1.22 5.85 -1.57 -2.17 115.31 117.93 1rnl h LEU 18 Ca -0.00 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1rnl h LEU 18 Cb 0.34 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1rnl h LEU 18 CO 0.02 0.76 0.15 -0.09 -0.34 0.00 0.00 178.44 178.94 1rnl h ARG 19 N -0.19 0.88 -0.65 1.25 2.43 -1.04 0.47 114.38 117.53 1rnl h ARG 19 Ca 0.01 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1rnl h ARG 19 Cb 0.70 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1rnl h ARG 19 CO 0.03 0.78 0.42 1.15 -1.51 0.00 0.00 179.97 180.85 1rnl h THR 20 N 0.85 1.12 -0.14 0.20 2.02 -0.90 -0.46 112.91 115.60 1rnl h THR 20 Ca 0.19 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 1rnl h THR 20 Cb 0.30 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1rnl h THR 20 CO -0.00 0.15 -0.34 1.23 0.37 0.00 0.00 175.52 176.93 1rnl h GLY 21 N 0.84 0.53 0.96 2.16 0.00 -0.84 -2.89 103.07 103.84 1rnl h GLY 21 Ca 0.25 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.96 1rnl h GLY 21 CO -0.08 0.58 0.62 -2.08 0.00 0.00 0.00 176.54 175.58 1rnl h VAL 22 N 0.10 1.17 -0.78 4.60 2.07 -0.74 -1.37 116.25 121.29 1rnl h VAL 22 Ca -0.00 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1rnl h VAL 22 Cb 0.95 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1rnl h VAL 22 CO 0.07 0.22 0.30 0.11 0.02 0.00 0.00 177.57 178.29 1rnl h LYS 23 N 1.19 1.18 -0.47 1.57 1.79 -1.07 -1.19 116.57 119.57 1rnl h LYS 23 Ca 0.37 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 1rnl h LYS 23 Cb -0.00 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.44 1rnl h LYS 23 CO -0.11 0.96 0.19 0.37 -1.08 0.00 0.00 179.45 179.79 1rnl h GLN 24 N 1.15 0.69 -0.85 3.15 5.75 -1.13 -2.52 115.11 121.35 1rnl h GLN 24 Ca 0.26 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1rnl h GLN 24 Cb 0.23 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1rnl h GLN 24 CO -0.02 0.62 0.40 -0.07 -2.65 0.00 0.00 178.83 177.11 1rnl h LEU 25 N 0.61 1.12 -1.48 -2.39 3.38 -0.79 -2.45 115.31 113.31 1rnl h LEU 25 Ca 0.16 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1rnl h LEU 25 Cb 0.18 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1rnl h LEU 25 CO -0.01 0.95 -0.26 0.40 0.09 0.00 0.00 178.44 179.61 1rnl h ILE 26 N 1.22 0.92 0.00 1.22 2.04 -1.03 -2.35 117.51 119.53 1rnl h ILE 26 Ca 0.29 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1rnl h ILE 26 Cb 0.13 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1rnl h ILE 26 CO -0.04 0.25 -0.22 0.28 0.00 0.00 0.00 178.15 178.43 1rnl h SER 27 N 0.00 0.00 0.71 1.72 0.02 -1.00 -2.52 113.55 112.47 1rnl h SER 27 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rnl h SER 27 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1rnl h SER 27 CO 0.03 0.22 0.00 0.23 -1.14 0.00 0.00 176.83 176.17 1rnl n MET 28 N -3.57 0.04 -3.93 3.45 2.81 -0.88 -4.52 117.12 110.51 1rnl n MET 28 Ca -0.01 0.12 -0.30 0.00 -1.81 0.00 0.00 57.70 55.70 1rnl n MET 28 Cb 0.36 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.22 1rnl n MET 28 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rnl s ALA 29 N -2.95 2.10 0.50 3.04 0.00 -0.95 -5.01 121.76 118.50 1rnl s ALA 29 Ca 0.12 -1.62 0.16 0.00 0.00 0.00 0.00 51.96 50.62 1rnl s ALA 29 Cb 0.14 -1.56 1.22 0.00 0.00 0.00 0.00 23.12 22.93 1rnl s ALA 29 CO 0.39 -1.34 2.11 -1.35 0.00 0.00 0.00 175.76 175.58 1rnl h PRO 30 N 7.90 0.00 -0.11 0.00 0.11 -1.80 -2.95 132.00 135.14 1rnl h PRO 30 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1rnl h PRO 30 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rnl h PRO 30 CO 0.44 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1rnl n ASP 31 N -4.47 0.71 -4.03 -2.05 5.75 -1.26 -4.78 116.55 106.42 1rnl n ASP 31 Ca -0.03 -1.82 -0.15 0.00 -0.01 0.00 0.00 54.79 52.77 1rnl n ASP 31 Cb 0.13 -0.07 -0.13 0.00 -1.03 0.00 0.00 41.12 40.02 1rnl n ASP 31 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1rnl s ILE 32 N -1.85 0.59 -0.01 2.12 -4.36 -1.12 -0.97 121.20 115.60 1rnl s ILE 32 Ca 0.17 -0.72 -0.17 0.00 -0.26 0.00 0.00 60.65 59.67 1rnl s ILE 32 Cb 0.09 -0.57 0.03 0.00 1.25 0.00 0.00 42.46 43.25 1rnl s ILE 32 CO 0.13 -0.11 0.36 0.28 0.24 0.00 0.00 174.94 175.83 1rnl s THR 33 N -0.78 0.05 -0.20 8.37 -1.32 0.07 -4.86 115.64 116.97 1rnl s THR 33 Ca -0.03 -0.45 -0.26 0.00 -1.21 0.00 0.00 61.69 59.74 1rnl s THR 33 Cb -0.06 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.20 1rnl s THR 33 CO 0.00 -0.25 0.89 -0.69 -2.21 0.00 0.00 174.62 172.37 1rnl s VAL 34 N -1.55 4.81 -0.22 5.08 1.01 -1.26 -0.74 120.40 127.52 1rnl s VAL 34 Ca -0.12 1.74 0.22 0.00 0.00 0.00 0.00 61.98 63.82 1rnl s VAL 34 Cb -0.04 -4.18 -0.30 0.00 0.00 0.00 0.00 36.38 31.86 1rnl s VAL 34 CO 0.03 -0.05 0.60 0.55 0.00 0.00 0.00 175.10 176.23 1rnl n VAL 35 N 5.01 0.03 -3.52 2.92 3.14 -0.11 -4.87 118.33 120.93 1rnl n VAL 35 Ca 0.07 -0.41 -0.09 0.00 -2.96 0.00 0.00 64.34 60.95 1rnl n VAL 35 Cb 0.48 0.16 -0.03 0.00 -1.06 0.00 0.00 33.84 33.39 1rnl n VAL 35 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1rnl s GLY 36 N -4.22 -0.42 0.05 7.55 0.00 -1.23 -5.04 107.32 104.01 1rnl s GLY 36 Ca -0.05 1.24 0.02 0.00 0.00 0.00 0.00 44.72 45.94 1rnl s GLY 36 CO 0.89 0.48 -0.08 -0.54 0.00 0.00 0.00 173.10 173.86 1rnl s GLU 37 N -2.69 0.60 -0.26 2.90 2.02 -1.26 -1.65 118.70 118.37 1rnl s GLU 37 Ca 0.04 -0.88 -0.15 0.00 0.02 0.00 0.00 54.97 54.00 1rnl s GLU 37 Cb -0.01 -0.30 0.08 0.00 0.10 0.00 0.00 34.13 33.99 1rnl s GLU 37 CO -0.07 0.04 0.64 0.00 0.02 0.00 0.00 175.26 175.89 1rnl s ALA 38 N -1.81 -1.71 -2.19 5.21 0.00 -0.13 -4.95 121.76 116.18 1rnl s ALA 38 Ca -0.05 2.23 0.22 0.00 0.00 0.00 0.00 51.96 54.36 1rnl s ALA 38 Cb -0.07 -1.32 0.50 0.00 0.00 0.00 0.00 23.12 22.23 1rnl s ALA 38 CO -0.00 -0.36 1.44 0.43 0.00 0.00 0.00 175.76 177.27 1rnl n SER 39 N 4.24 3.62 -3.98 0.00 7.64 -1.24 -1.33 113.62 122.56 1rnl n SER 39 Ca -0.20 -1.99 -0.19 0.00 1.01 0.00 0.00 58.87 57.50 1rnl n SER 39 Cb 0.58 -0.34 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 1rnl n SER 39 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1rnl s ASN 40 N -1.27 1.07 0.14 6.43 2.47 -1.26 -4.66 114.94 117.87 1rnl s ASN 40 Ca 0.42 -0.16 -0.17 0.00 0.42 0.00 0.00 52.86 53.36 1rnl s ASN 40 Cb 0.23 -0.27 -0.01 0.00 -1.45 0.00 0.00 41.25 39.75 1rnl s ASN 40 CO 0.31 0.06 1.80 1.23 -3.72 0.00 0.00 177.10 176.78 1rnl h GLY 41 N 6.37 0.50 0.81 1.21 0.00 -1.97 -1.28 103.07 108.71 1rnl h GLY 41 Ca -0.33 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 46.84 1rnl h GLY 41 CO 0.49 0.19 0.26 0.83 0.00 0.00 0.00 176.54 178.30 1rnl h GLU 42 N 0.48 0.49 -0.66 4.80 4.39 -1.99 0.05 114.58 122.15 1rnl h GLU 42 Ca 0.13 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 1rnl h GLU 42 Cb -0.04 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1rnl h GLU 42 CO -0.03 0.33 0.23 0.37 -1.16 0.00 0.00 179.01 178.75 1rnl h GLN 43 N 0.51 1.00 -0.73 2.33 5.75 -1.96 -2.55 115.11 119.46 1rnl h GLN 43 Ca 0.20 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1rnl h GLN 43 Cb 0.07 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1rnl h GLN 43 CO -0.12 0.86 0.30 0.78 -2.65 0.00 0.00 178.83 178.00 1rnl h GLY 44 N 0.94 1.15 1.72 2.39 0.00 -0.44 -1.77 103.07 107.06 1rnl h GLY 44 Ca 0.21 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1rnl h GLY 44 CO -0.01 0.57 -0.11 -2.22 0.00 0.00 0.00 176.54 174.77 1rnl h ILE 45 N 1.05 1.20 -0.14 2.60 2.04 -0.73 0.90 117.51 124.43 1rnl h ILE 45 Ca 0.25 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1rnl h ILE 45 Cb 0.19 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1rnl h ILE 45 CO -0.02 0.27 -0.03 -0.33 0.00 0.00 0.00 178.15 178.04 1rnl h GLU 46 N 0.33 0.27 -0.32 2.37 5.08 -0.95 -2.34 114.58 119.02 1rnl h GLU 46 Ca 0.07 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1rnl h GLU 46 Cb 0.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1rnl h GLU 46 CO 0.02 0.55 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.27 1rnl h LEU 47 N -0.04 0.63 -0.21 1.33 3.38 -1.06 -2.52 115.31 116.82 1rnl h LEU 47 Ca 0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rnl h LEU 47 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1rnl h LEU 47 CO 0.01 0.86 0.12 0.00 0.09 0.00 0.00 178.44 179.52 1rnl h ALA 48 N 1.19 0.26 -0.34 1.53 0.00 -0.76 -0.71 119.26 120.44 1rnl h ALA 48 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1rnl h ALA 48 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rnl h ALA 48 CO 0.05 -0.21 0.07 1.49 0.00 0.00 0.00 179.25 180.66 1rnl h GLU 49 N 0.23 0.55 0.00 0.00 4.81 -1.35 0.76 114.58 119.58 1rnl h GLU 49 Ca 0.07 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1rnl h GLU 49 Cb 0.06 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1rnl h GLU 49 CO -0.01 0.61 -0.65 0.66 -0.73 0.00 0.00 179.01 178.90 1rnl h SER 50 N 0.40 0.00 0.23 1.04 4.64 -1.43 -3.34 113.55 115.09 1rnl h SER 50 Ca 0.11 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.14 1rnl h SER 50 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1rnl h SER 50 CO 0.00 0.65 -2.04 0.18 -0.87 0.00 0.00 176.83 174.75 1rnl n LEU 51 N -3.28 0.36 -3.75 5.97 4.77 -0.28 -5.02 117.00 115.77 1rnl n LEU 51 Ca 0.01 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.86 1rnl n LEU 51 Cb 0.79 0.31 0.02 0.00 -2.33 0.00 0.00 43.42 42.20 1rnl n LEU 51 CO 0.42 0.38 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.09 1rnl n ASP 52 N -2.81 -5.17 -4.75 -1.43 2.03 0.26 -4.92 116.55 99.76 1rnl n ASP 52 Ca -0.23 -0.97 -0.31 0.00 0.52 0.00 0.00 54.79 53.80 1rnl n ASP 52 Cb 1.04 -2.61 0.10 0.00 -0.72 0.00 0.00 41.12 38.94 1rnl n ASP 52 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1rnl s PRO 53 N -5.67 2.04 0.24 -0.67 0.02 -1.26 -4.83 135.00 124.87 1rnl s PRO 53 Ca 0.27 1.23 0.08 0.00 0.02 0.00 0.00 61.00 62.60 1rnl s PRO 53 Cb -0.12 -1.87 0.26 0.00 0.02 0.00 0.00 34.50 32.79 1rnl s PRO 53 CO 0.89 -1.81 1.55 -0.44 -0.33 0.00 0.00 177.00 176.86 1rnl h ASP 54 N -1.26 0.11 -3.56 2.53 3.32 -1.65 -3.34 116.42 112.57 1rnl h ASP 54 Ca -0.43 -0.07 -0.32 0.00 0.02 0.00 0.00 57.03 56.23 1rnl h ASP 54 Cb 1.24 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.43 1rnl h ASP 54 CO 0.50 0.74 -0.74 -0.22 -1.72 0.00 0.00 179.24 177.79 1rnl s LEU 55 N -7.64 1.31 -0.24 1.55 2.96 -0.43 -1.13 118.68 115.07 1rnl s LEU 55 Ca -0.02 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1rnl s LEU 55 Cb 0.12 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.66 1rnl s LEU 55 CO 0.78 -0.08 -0.07 -0.63 -1.32 0.00 0.00 176.35 175.03 1rnl s ILE 56 N 0.82 2.88 -0.50 6.68 1.01 0.32 -0.67 121.20 131.75 1rnl s ILE 56 Ca -0.08 -0.91 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1rnl s ILE 56 Cb -0.11 -2.41 0.10 0.00 0.01 0.00 0.00 42.46 40.05 1rnl s ILE 56 CO -0.02 0.28 0.42 -0.22 0.00 0.00 0.00 174.94 175.40 1rnl s LEU 57 N 1.35 5.83 -0.17 2.97 2.96 0.73 -1.41 118.68 130.95 1rnl s LEU 57 Ca 0.02 -1.59 -0.05 0.00 -0.22 0.00 0.00 54.13 52.29 1rnl s LEU 57 Cb -0.16 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1rnl s LEU 57 CO -0.05 -0.73 0.01 -0.22 -1.32 0.00 0.00 176.35 174.03 1rnl s LEU 58 N 1.58 3.50 -0.32 -0.68 2.96 -0.77 -0.72 118.68 124.23 1rnl s LEU 58 Ca 0.04 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.73 1rnl s LEU 58 Cb -0.27 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1rnl s LEU 58 CO 0.04 0.18 0.51 -0.62 -1.32 0.00 0.00 176.35 175.14 1rnl s ASP 59 N 0.34 6.35 0.00 3.68 2.15 -0.55 -0.24 116.67 128.40 1rnl s ASP 59 Ca -0.01 0.17 0.23 0.00 0.43 0.00 0.00 52.55 53.37 1rnl s ASP 59 Cb -0.13 -2.27 1.04 0.00 -0.30 0.00 0.00 42.92 41.25 1rnl s ASP 59 CO 0.02 -0.40 1.75 0.18 -0.17 0.00 0.00 175.17 176.54 1rnl n LEU 60 N 5.67 0.00 -0.82 -1.34 4.77 -0.96 -3.31 117.00 121.01 1rnl n LEU 60 Ca -0.05 0.44 0.03 0.00 -0.03 0.00 0.00 56.01 56.41 1rnl n LEU 60 Cb 0.49 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1rnl n LEU 60 CO 0.43 -0.09 0.54 0.59 -1.33 0.00 0.00 177.39 177.52 1rnl n ASN 61 N -1.44 2.27 -4.77 -1.43 3.02 -1.26 -4.36 115.26 107.28 1rnl n ASN 61 Ca 0.07 -2.21 -0.38 0.00 -0.03 0.00 0.00 54.58 52.03 1rnl n ASN 61 Cb 0.25 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 1rnl n ASN 61 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1rnl s MET 62 N -1.65 3.79 0.62 3.52 -1.94 -1.21 -4.98 119.30 117.45 1rnl s MET 62 Ca 0.20 1.91 -0.18 0.00 -1.71 0.00 0.00 55.69 55.91 1rnl s MET 62 Cb 0.13 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 1rnl s MET 62 CO 0.09 -0.56 0.80 -2.30 -0.01 0.00 0.00 175.02 173.04 1rnl n PRO 63 N -0.31 0.67 -0.46 2.03 -0.02 -1.26 -3.07 135.00 132.58 1rnl n PRO 63 Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1rnl n PRO 63 Cb 0.46 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1rnl n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rnl n GLY 64 N 1.44 0.98 3.89 -1.23 0.00 -1.26 -4.29 105.19 104.72 1rnl n GLY 64 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1rnl n GLY 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rnl n MET 65 N -2.00 -3.96 -0.44 1.61 2.81 -1.18 -4.86 117.12 109.10 1rnl n MET 65 Ca 0.00 0.47 0.06 0.00 -1.81 0.00 0.00 57.70 56.42 1rnl n MET 65 Cb 0.00 -5.25 0.19 0.00 -0.71 0.00 0.00 33.22 27.45 1rnl n MET 65 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1rnl n ASN 66 N -2.61 2.33 -0.25 7.83 6.94 -1.26 -4.73 115.26 123.51 1rnl n ASN 66 Ca 0.04 -3.50 -0.03 0.00 -0.02 0.00 0.00 54.58 51.07 1rnl n ASN 66 Cb 0.51 -0.52 0.14 0.00 -2.36 0.00 0.00 39.78 37.55 1rnl n ASN 66 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1rnl h GLY 67 N 0.76 1.17 2.00 4.83 0.00 -1.81 -0.90 103.07 109.13 1rnl h GLY 67 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1rnl h GLY 67 CO 0.10 0.55 0.00 -2.00 0.00 0.00 0.00 176.54 175.19 1rnl h LEU 68 N 1.09 0.00 0.21 3.11 5.85 -1.85 -2.86 115.31 120.86 1rnl h LEU 68 Ca 0.26 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.71 1rnl h LEU 68 Cb 0.12 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.18 1rnl h LEU 68 CO -0.03 0.00 -1.20 -0.08 -0.34 0.00 0.00 178.44 176.79 1rnl h GLU 69 N 0.00 0.44 -0.19 1.25 4.22 -1.59 -2.98 114.58 115.73 1rnl h GLU 69 Ca 0.00 -0.75 -0.03 0.00 0.08 0.00 0.00 59.36 58.65 1rnl h GLU 69 Cb 0.70 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1rnl h GLU 69 CO 0.00 1.36 -0.03 1.15 -2.18 0.00 0.00 179.01 179.31 1rnl h THR 70 N -0.08 1.14 -0.21 0.32 2.02 -1.10 -1.88 112.91 113.12 1rnl h THR 70 Ca -0.21 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1rnl h THR 70 Cb 1.95 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1rnl h THR 70 CO 0.22 0.18 -0.02 0.25 0.37 0.00 0.00 175.52 176.52 1rnl h LEU 71 N 0.28 0.38 -0.37 2.58 6.46 -1.54 -0.09 115.31 123.00 1rnl h LEU 71 Ca 0.06 -0.34 0.03 0.00 -0.12 0.00 0.00 57.88 57.52 1rnl h LEU 71 Cb 0.23 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 1rnl h LEU 71 CO 0.01 0.63 0.17 0.44 -0.62 0.00 0.00 178.44 179.07 1rnl h ASP 72 N 0.12 0.24 0.44 1.25 3.32 -1.28 -0.28 116.42 120.23 1rnl h ASP 72 Ca 0.06 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1rnl h ASP 72 Cb 0.45 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1rnl h ASP 72 CO 0.02 0.18 -0.26 0.11 -1.72 0.00 0.00 179.24 177.56 1rnl h LYS 73 N 0.36 0.00 -0.03 3.56 1.57 -1.24 -1.93 116.57 118.85 1rnl h LYS 73 Ca 0.16 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.71 1rnl h LYS 73 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.41 1rnl h LYS 73 CO -0.12 0.26 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.10 1rnl h LEU 74 N 0.00 0.81 0.00 2.94 3.38 -0.40 -3.04 115.31 119.00 1rnl h LEU 74 Ca -0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1rnl h LEU 74 Cb 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rnl h LEU 74 CO 0.03 1.42 0.00 0.54 0.09 0.00 0.00 178.44 180.52 1rnl n ARG 75 N -3.98 0.03 0.03 1.13 3.00 -0.17 -1.78 116.66 114.92 1rnl n ARG 75 Ca -0.10 0.27 -0.13 0.00 -0.01 0.00 0.00 57.85 57.87 1rnl n ARG 75 Cb 0.79 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.61 1rnl n ARG 75 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1rnl h GLU 76 N 0.00 0.14 -7.39 5.56 5.08 -1.25 -3.47 114.58 113.25 1rnl h GLU 76 Ca 0.00 -0.23 -0.48 0.00 -1.00 0.00 0.00 59.36 57.64 1rnl h GLU 76 Cb 0.20 0.09 0.12 0.00 0.50 0.00 0.00 28.75 29.66 1rnl h GLU 76 CO 0.00 0.92 0.31 0.15 -1.00 0.00 0.00 179.01 179.39 1rnl s LYS 77 N -2.62 1.80 -0.55 2.33 -0.14 -0.73 -4.98 119.74 114.84 1rnl s LYS 77 Ca -0.07 0.68 -0.20 0.00 -1.36 0.00 0.00 55.97 55.01 1rnl s LYS 77 Cb 0.08 -1.88 0.07 0.00 -1.68 0.00 0.00 37.83 34.41 1rnl s LYS 77 CO 0.83 -1.83 0.73 -1.12 -0.76 0.00 0.00 175.35 173.21 1rnl s SER 78 N -3.77 6.22 0.02 2.83 0.01 -1.26 -5.00 113.70 112.76 1rnl s SER 78 Ca 0.62 -0.97 0.08 0.00 1.31 0.00 0.00 55.95 56.99 1rnl s SER 78 Cb -0.15 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 1rnl s SER 78 CO 0.55 -1.07 -0.23 -0.76 0.41 0.00 0.00 173.24 172.14 1rnl s LEU 79 N 3.02 2.12 0.00 2.44 1.43 -1.26 -4.92 118.68 121.51 1rnl s LEU 79 Ca 0.17 -0.50 0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1rnl s LEU 79 Cb -0.19 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1rnl s LEU 79 CO 0.11 0.24 0.67 -1.54 0.23 0.00 0.00 176.35 176.06 1rnl n SER 80 N 2.08 1.16 -2.05 2.29 3.41 -1.26 -4.58 113.62 114.66 1rnl n SER 80 Ca -0.16 -1.08 -0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1rnl n SER 80 Cb 0.52 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1rnl n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rnl n GLY 81 N 1.10 0.72 3.82 5.00 0.00 -1.25 -4.91 105.19 109.66 1rnl n GLY 81 Ca 0.04 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1rnl n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rnl s ARG 82 N -2.45 3.14 -0.23 1.61 0.52 -0.28 -4.81 118.95 116.45 1rnl s ARG 82 Ca 0.01 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1rnl s ARG 82 Cb -0.00 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.61 1rnl s ARG 82 CO 0.01 0.64 -0.14 0.42 0.02 0.00 0.00 175.30 176.25 1rnl s ILE 83 N -1.28 2.19 -0.14 1.52 1.01 -1.26 -0.52 121.20 122.72 1rnl s ILE 83 Ca 0.26 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.53 1rnl s ILE 83 Cb -0.12 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1rnl s ILE 83 CO 0.17 0.17 -0.10 -0.69 0.00 0.00 0.00 174.94 174.50 1rnl s VAL 84 N 1.18 3.32 0.18 2.92 1.01 -0.50 -0.52 120.40 127.99 1rnl s VAL 84 Ca -0.04 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1rnl s VAL 84 Cb -0.17 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1rnl s VAL 84 CO -0.08 0.52 0.07 0.68 0.00 0.00 0.00 175.10 176.29 1rnl s VAL 85 N 0.33 4.06 -0.55 2.92 -7.23 -1.01 -1.84 120.40 117.07 1rnl s VAL 85 Ca -0.09 -1.32 -0.19 0.00 -1.81 0.00 0.00 61.98 58.56 1rnl s VAL 85 Cb -0.15 -3.07 0.08 0.00 0.56 0.00 0.00 36.38 33.79 1rnl s VAL 85 CO 0.05 -0.15 0.70 -0.36 -0.31 0.00 0.00 175.10 175.03 1rnl s PHE 86 N -1.81 2.99 0.81 2.82 0.08 0.67 -0.42 117.98 123.11 1rnl s PHE 86 Ca 0.29 -0.69 -0.13 0.00 0.12 0.00 0.00 56.93 56.52 1rnl s PHE 86 Cb -0.09 -3.81 0.08 0.00 -0.57 0.00 0.00 43.02 38.62 1rnl s PHE 86 CO 0.21 -1.20 1.15 0.45 -0.10 0.00 0.00 175.22 175.73 1rnl n SER 87 N 6.41 0.85 -0.15 1.36 2.88 -0.39 -2.26 113.62 122.32 1rnl n SER 87 Ca -0.07 0.58 -0.11 0.00 -1.33 0.00 0.00 58.87 57.94 1rnl n SER 87 Cb 0.44 -1.49 -0.01 0.00 -0.75 0.00 0.00 64.21 62.40 1rnl n SER 87 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1rnl h VAL 88 N -0.89 1.27 -3.19 2.46 2.07 -1.89 -3.44 116.25 112.64 1rnl h VAL 88 Ca -0.46 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 65.79 1rnl h VAL 88 Cb 1.30 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1rnl h VAL 88 CO 0.45 0.39 0.10 -1.54 0.02 0.00 0.00 177.57 177.00 1rnl n SER 89 N -4.33 -1.69 -1.30 0.57 3.41 -1.26 -5.02 113.62 103.99 1rnl n SER 89 Ca -0.01 -2.48 0.07 0.00 -0.26 0.00 0.00 58.87 56.19 1rnl n SER 89 Cb 0.35 2.90 0.27 0.00 -0.26 0.00 0.00 64.21 67.48 1rnl n SER 89 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rnl n ASN 90 N -1.54 3.81 -4.75 4.04 0.23 -1.26 -4.62 115.26 111.17 1rnl n ASN 90 Ca -0.05 -2.39 -0.41 0.00 -0.53 0.00 0.00 54.58 51.20 1rnl n ASN 90 Cb 0.51 -0.52 -0.03 0.00 -2.08 0.00 0.00 39.78 37.66 1rnl n ASN 90 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1rnl s HIS 91 N -1.86 3.30 0.23 -2.53 2.46 -1.26 -4.92 115.29 110.72 1rnl s HIS 91 Ca 0.38 1.43 -0.13 0.00 0.47 0.00 0.00 55.06 57.21 1rnl s HIS 91 Cb 0.26 -3.52 0.29 0.00 -0.13 0.00 0.00 32.58 29.48 1rnl s HIS 91 CO 0.17 -1.44 1.59 0.93 -2.47 0.00 0.00 174.74 173.53 1rnl h GLU 92 N 4.40 -0.02 0.00 2.88 3.07 -2.00 -0.74 114.58 122.17 1rnl h GLU 92 Ca -0.46 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.35 1rnl h GLU 92 Cb 1.22 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1rnl h GLU 92 CO 0.71 -0.01 -0.24 0.93 -1.40 0.00 0.00 179.01 178.99 1rnl h GLU 93 N -0.02 0.00 -0.00 2.33 4.39 -1.98 -0.82 114.58 118.47 1rnl h GLU 93 Ca 0.35 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.89 1rnl h GLU 93 Cb 0.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1rnl h GLU 93 CO -0.80 0.24 -0.77 -0.44 -1.16 0.00 0.00 179.01 176.08 1rnl h ASP 94 N 0.00 0.08 0.04 1.42 3.32 -1.48 -2.96 116.42 116.84 1rnl h ASP 94 Ca -0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1rnl h ASP 94 Cb 0.50 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1rnl h ASP 94 CO 0.03 0.82 -0.02 0.58 -1.72 0.00 0.00 179.24 178.93 1rnl h VAL 95 N 0.04 1.08 -0.22 -1.35 2.07 -0.98 -3.26 116.25 113.63 1rnl h VAL 95 Ca -0.02 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 1rnl h VAL 95 Cb 1.36 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1rnl h VAL 95 CO 0.11 0.34 0.09 -0.37 0.02 0.00 0.00 177.57 177.76 1rnl h VAL 96 N -0.94 1.09 -0.37 2.57 -1.51 -1.28 -2.29 116.25 113.52 1rnl h VAL 96 Ca -0.01 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 1rnl h VAL 96 Cb 0.60 0.82 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 1rnl h VAL 96 CO 0.01 0.11 0.15 0.74 -1.23 0.00 0.00 177.57 177.34 1rnl h THR 97 N 0.31 1.19 -0.39 7.19 2.02 -1.65 0.60 112.91 122.17 1rnl h THR 97 Ca 0.08 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1rnl h THR 97 Cb 0.06 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1rnl h THR 97 CO -0.01 0.20 0.25 0.00 0.37 0.00 0.00 175.52 176.33 1rnl h ALA 98 N 0.99 0.50 -0.55 6.16 0.00 -1.46 0.17 119.26 125.06 1rnl h ALA 98 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rnl h ALA 98 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1rnl h ALA 98 CO -0.01 -0.02 0.19 -0.07 0.00 0.00 0.00 179.25 179.34 1rnl h LEU 99 N 0.52 0.78 -1.42 0.00 3.38 -1.25 -2.20 115.31 115.13 1rnl h LEU 99 Ca 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1rnl h LEU 99 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1rnl h LEU 99 CO -0.03 0.76 0.01 0.11 0.09 0.00 0.00 178.44 179.39 1rnl h LYS 100 N 0.76 0.39 0.00 1.13 1.57 -0.51 -2.16 116.57 117.74 1rnl h LYS 100 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1rnl h LYS 100 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1rnl h LYS 100 CO -0.01 0.41 0.00 0.54 -0.57 0.00 0.00 179.45 179.82 1rnl n ARG 101 N -4.34 0.56 0.00 3.15 5.12 0.01 -4.87 116.66 116.29 1rnl n ARG 101 Ca 0.01 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1rnl n ARG 101 Cb 0.20 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1rnl n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rnl n GLY 102 N 0.85 1.46 3.84 -0.13 0.00 -0.81 -4.63 105.19 105.77 1rnl n GLY 102 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1rnl n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rnl s ALA 103 N -2.00 3.55 -0.05 4.61 0.00 -0.95 -4.71 121.76 122.21 1rnl s ALA 103 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 51.96 51.98 1rnl s ALA 103 Cb 0.00 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.45 1rnl s ALA 103 CO 0.00 0.44 1.15 -0.44 0.00 0.00 0.00 175.76 176.91 1rnl h ASP 104 N 3.41 0.00 -2.29 0.00 3.32 -1.15 -3.41 116.42 116.30 1rnl h ASP 104 Ca -0.48 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.58 1rnl h ASP 104 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 1rnl h ASP 104 CO 0.66 0.75 0.26 0.61 -1.72 0.00 0.00 179.24 179.80 1rnl n GLY 105 N 1.35 1.14 3.21 2.75 0.00 -1.21 -4.92 105.19 107.51 1rnl n GLY 105 Ca -0.04 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1rnl n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rnl s TYR 106 N -3.88 -0.01 0.15 1.61 1.13 -1.26 -2.42 117.35 112.67 1rnl s TYR 106 Ca 0.13 -0.19 0.02 0.00 -1.41 0.00 0.00 57.07 55.61 1rnl s TYR 106 Cb -0.03 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.81 1rnl s TYR 106 CO 0.07 -0.47 -0.02 -0.51 -2.51 0.00 0.00 175.55 172.11 1rnl s LEU 107 N -2.14 2.21 -0.06 -3.49 1.43 0.44 -4.91 118.68 112.15 1rnl s LEU 107 Ca -0.04 -1.12 0.04 0.00 -1.03 0.00 0.00 54.13 51.98 1rnl s LEU 107 Cb -0.00 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 1rnl s LEU 107 CO -0.04 -0.55 -0.19 -0.76 0.23 0.00 0.00 176.35 175.04 1rnl s LEU 108 N -3.12 2.44 0.52 1.79 1.43 -1.26 -1.27 118.68 119.21 1rnl s LEU 108 Ca 0.20 -0.35 0.35 0.00 -1.03 0.00 0.00 54.13 53.30 1rnl s LEU 108 Cb 0.06 -1.48 1.78 0.00 0.03 0.00 0.00 46.19 46.58 1rnl s LEU 108 CO 0.01 0.28 2.06 0.11 0.23 0.00 0.00 176.35 179.04 1rnl h LYS 109 N 5.78 0.00 -0.65 1.70 1.57 -1.95 -2.62 116.57 120.40 1rnl h LYS 109 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1rnl h LYS 109 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rnl h LYS 109 CO 0.50 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 1rnl n ASP 110 N -2.80 4.36 -4.80 0.86 5.68 -1.26 -4.96 116.55 113.63 1rnl n ASP 110 Ca -0.01 -2.57 -0.32 0.00 -0.50 0.00 0.00 54.79 51.39 1rnl n ASP 110 Cb 0.13 -0.59 0.03 0.00 -1.14 0.00 0.00 41.12 39.55 1rnl n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1rnl s MET 111 N -2.13 3.09 0.31 0.11 -1.94 -0.99 -5.00 119.30 112.75 1rnl s MET 111 Ca 0.42 1.15 -0.28 0.00 -1.71 0.00 0.00 55.69 55.27 1rnl s MET 111 Cb 0.30 -2.00 -0.09 0.00 2.01 0.00 0.00 34.83 35.04 1rnl s MET 111 CO 0.15 -0.99 1.11 -2.00 -0.01 0.00 0.00 175.02 173.28 1rnl s GLU 112 N -4.40 4.50 0.38 2.03 2.56 -1.26 -4.84 118.70 117.67 1rnl s GLU 112 Ca 0.62 1.78 0.17 0.00 0.00 0.00 0.00 54.97 57.54 1rnl s GLU 112 Cb -0.16 -3.04 1.07 0.00 2.00 0.00 0.00 34.13 34.00 1rnl s GLU 112 CO 0.44 0.09 1.76 -1.35 -0.56 0.00 0.00 175.26 175.63 1rnl h PRO 113 N 3.48 0.41 -0.30 4.30 0.11 -1.98 0.27 132.00 138.30 1rnl h PRO 113 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1rnl h PRO 113 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1rnl h PRO 113 CO 0.66 0.27 -0.06 1.49 -0.21 0.00 0.00 178.00 180.15 1rnl h GLU 114 N 0.43 0.57 -0.11 1.05 4.22 -2.00 -1.92 114.58 116.83 1rnl h GLU 114 Ca 0.61 -0.21 -0.19 0.00 0.08 0.00 0.00 59.36 59.64 1rnl h GLU 114 Cb 1.47 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 1rnl h GLU 114 CO -0.34 0.76 -0.73 -0.44 -2.18 0.00 0.00 179.01 176.08 1rnl h ASP 115 N 0.34 0.63 -0.55 1.04 3.32 -1.62 -2.82 116.42 116.77 1rnl h ASP 115 Ca 0.08 -0.41 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 1rnl h ASP 115 Cb 0.54 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1rnl h ASP 115 CO 0.03 1.16 0.06 0.25 -1.72 0.00 0.00 179.24 179.02 1rnl h LEU 116 N 0.37 0.94 -0.27 1.55 5.85 -0.99 -1.74 115.31 121.02 1rnl h LEU 116 Ca -0.03 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1rnl h LEU 116 Cb 1.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1rnl h LEU 116 CO 0.13 0.96 0.15 0.25 -0.34 0.00 0.00 178.44 179.60 1rnl h LEU 117 N 0.91 0.33 -1.19 2.25 7.12 -1.28 -0.87 115.31 122.59 1rnl h LEU 117 Ca 0.18 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 1rnl h LEU 117 Cb 0.45 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 1rnl h LEU 117 CO 0.02 0.32 0.26 0.11 -0.13 0.00 0.00 178.44 179.01 1rnl h LYS 118 N 0.32 0.83 -0.26 1.25 1.57 -1.24 -1.80 116.57 117.25 1rnl h LYS 118 Ca 0.09 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1rnl h LYS 118 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1rnl h LYS 118 CO -0.02 0.66 -0.15 0.00 -0.57 0.00 0.00 179.45 179.37 1rnl h ALA 119 N 1.46 0.36 -0.45 3.86 0.00 -0.88 -1.56 119.26 122.05 1rnl h ALA 119 Ca 0.20 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1rnl h ALA 119 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rnl h ALA 119 CO -0.02 0.26 0.07 -0.07 0.00 0.00 0.00 179.25 179.49 1rnl h LEU 120 N 0.28 0.72 -0.61 0.00 3.38 -1.00 -1.41 115.31 116.67 1rnl h LEU 120 Ca 0.05 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1rnl h LEU 120 Cb 0.67 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1rnl h LEU 120 CO 0.04 0.79 0.11 -0.74 0.09 0.00 0.00 178.44 178.73 1rnl h HIS 121 N 0.61 1.06 -0.54 1.13 2.76 -1.34 -0.99 115.15 117.84 1rnl h HIS 121 Ca 0.14 -0.15 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 1rnl h HIS 121 Cb 0.38 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1rnl h HIS 121 CO 0.03 0.91 -0.01 0.37 -1.30 0.00 0.00 177.93 177.93 1rnl h GLN 122 N 0.91 0.97 -0.18 5.26 4.15 -1.16 0.86 115.11 125.92 1rnl h GLN 122 Ca 0.19 -0.31 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 1rnl h GLN 122 Cb 0.42 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1rnl h GLN 122 CO 0.01 0.98 -0.43 0.00 -1.93 0.00 0.00 178.83 177.46 1rnl h ALA 123 N 0.95 0.94 0.16 3.38 0.00 -1.09 -0.36 119.26 123.23 1rnl h ALA 123 Ca 0.15 -0.44 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 1rnl h ALA 123 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rnl h ALA 123 CO 0.03 0.63 -1.75 0.00 0.00 0.00 0.00 179.25 178.16 1rnl h ALA 124 N 1.20 0.23 0.00 0.00 0.00 -1.09 -3.43 119.26 116.18 1rnl h ALA 124 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1rnl h ALA 124 Cb 0.90 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1rnl h ALA 124 CO 0.08 1.06 -0.28 0.00 0.00 0.00 0.00 179.25 180.10 1rnl n ALA 125 N -2.93 2.10 -3.75 0.00 0.00 0.29 -4.77 120.51 111.46 1rnl n ALA 125 Ca -0.27 -1.70 -0.12 0.00 0.00 0.00 0.00 53.44 51.36 1rnl n ALA 125 Cb 1.03 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 1rnl n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rnl n GLY 126 N -0.62 3.62 3.75 0.00 0.00 -0.14 -4.93 105.19 106.85 1rnl n GLY 126 Ca 0.07 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 1rnl n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rnl s GLU 127 N -2.66 4.70 -0.28 1.61 8.01 -1.26 -4.11 118.70 124.71 1rnl s GLU 127 Ca 0.14 1.65 0.00 0.00 0.01 0.00 0.00 54.97 56.77 1rnl s GLU 127 Cb 0.01 -3.26 0.15 0.00 -4.31 0.00 0.00 34.13 26.71 1rnl s GLU 127 CO 0.10 0.27 0.36 1.41 0.01 0.00 0.00 175.26 177.41 1rnl s MET 128 N -0.94 0.37 0.01 1.61 1.75 -0.77 -4.85 119.30 116.47 1rnl s MET 128 Ca 0.45 0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.99 1rnl s MET 128 Cb -0.29 -0.48 -0.04 0.00 2.84 0.00 0.00 34.83 36.87 1rnl s MET 128 CO 0.35 -0.97 -0.00 0.14 -0.65 0.00 0.00 175.02 173.89 1rnl s VAL 129 N 2.47 4.11 0.30 10.11 -7.23 -1.26 -4.64 120.40 124.25 1rnl s VAL 129 Ca 0.10 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.32 1rnl s VAL 129 Cb -0.13 -2.84 -0.10 0.00 0.56 0.00 0.00 36.38 33.86 1rnl s VAL 129 CO -0.29 0.35 1.17 -0.22 -0.31 0.00 0.00 175.10 175.80 1rnl s LEU 130 N -1.64 4.51 0.44 1.32 2.96 -1.26 -4.99 118.68 120.02 1rnl s LEU 130 Ca 0.20 2.42 -0.24 0.00 -0.22 0.00 0.00 54.13 56.29 1rnl s LEU 130 Cb -0.11 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.86 1rnl s LEU 130 CO 0.11 -0.28 1.17 -0.94 -1.32 0.00 0.00 176.35 175.10 1rnl s SER 131 N -0.74 6.25 0.57 3.68 1.04 -1.26 -4.85 113.70 118.40 1rnl s SER 131 Ca 0.46 2.33 0.28 0.00 0.48 0.00 0.00 55.95 59.50 1rnl s SER 131 Cb -0.35 -2.61 1.49 0.00 0.10 0.00 0.00 66.02 64.65 1rnl s SER 131 CO 0.45 -0.86 1.94 -0.33 0.98 0.00 0.00 173.24 175.42 1rnl h GLU 132 N 2.20 0.00 -0.78 4.02 4.39 -2.00 -0.08 114.58 122.34 1rnl h GLU 132 Ca -0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1rnl h GLU 132 Cb 1.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 1rnl h GLU 132 CO 0.61 0.00 0.41 0.00 -1.16 0.00 0.00 179.01 178.87 1rnl h ALA 133 N 1.57 1.26 -0.00 3.43 0.00 -2.03 -2.90 119.26 120.58 1rnl h ALA 133 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rnl h ALA 133 Cb 1.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rnl h ALA 133 CO -0.00 0.59 -0.76 1.28 0.00 0.00 0.00 179.25 180.36 1rnl n LEU 134 N -4.34 0.88 -0.12 0.00 4.32 -0.10 -4.50 117.00 113.13 1rnl n LEU 134 Ca 0.08 -0.32 -0.06 0.00 -0.02 0.00 0.00 56.01 55.69 1rnl n LEU 134 Cb 0.11 -0.10 0.03 0.00 -1.62 0.00 0.00 43.42 41.84 1rnl n LEU 134 CO 0.38 0.21 0.95 0.74 -1.22 0.00 0.00 177.39 178.46 1rnl h THR 135 N 0.19 0.90 -0.03 -5.08 2.02 -1.17 -2.52 112.91 107.23 1rnl h THR 135 Ca 0.00 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1rnl h THR 135 Cb 0.52 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1rnl h THR 135 CO 0.00 0.06 0.03 -0.65 0.37 0.00 0.00 175.52 175.33 1rnl h PRO 136 N 0.32 0.00 -0.11 6.66 0.11 -1.79 -1.78 132.00 135.41 1rnl h PRO 136 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1rnl h PRO 136 Cb 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1rnl h PRO 136 CO -0.17 0.00 0.05 0.28 -0.21 0.00 0.00 178.00 177.94 1rnl h VAL 137 N 0.00 1.13 -0.04 3.15 2.07 -1.74 0.21 116.25 121.04 1rnl h VAL 137 Ca 0.01 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1rnl h VAL 137 Cb 0.07 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1rnl h VAL 137 CO -0.00 0.12 -0.72 -0.07 0.02 0.00 0.00 177.57 176.91 1rnl h LEU 138 N 0.03 0.26 -1.42 2.57 3.38 -1.53 -2.95 115.31 115.65 1rnl h LEU 138 Ca 0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1rnl h LEU 138 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1rnl h LEU 138 CO -0.00 0.90 -0.28 0.00 0.09 0.00 0.00 178.44 179.14 1rnl h ALA 139 N 1.10 1.52 -0.31 1.53 0.00 -1.15 -1.71 119.26 120.24 1rnl h ALA 139 Ca -0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1rnl h ALA 139 Cb 1.28 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1rnl h ALA 139 CO 0.11 0.36 -0.24 0.00 0.00 0.00 0.00 179.25 179.48 1rnl h ALA 140 N 1.71 1.01 0.00 0.00 0.00 -0.78 -1.91 119.26 119.29 1rnl h ALA 140 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1rnl h ALA 140 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rnl h ALA 140 CO 0.04 0.59 -0.10 0.77 0.00 0.00 0.00 179.25 180.55 1rnl h SER 141 N 0.52 0.00 -0.77 0.00 0.02 -1.39 -3.51 113.55 108.42 1rnl h SER 141 Ca 0.07 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.44 1rnl h SER 141 Cb 0.70 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1rnl h SER 141 CO 0.05 0.10 -0.35 -0.76 -1.14 0.00 0.00 176.83 174.72 1rnl s LEU 142 N -6.29 2.78 -0.70 5.07 1.43 -0.69 -5.12 118.68 115.16 1rnl s LEU 142 Ca 0.05 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1rnl s LEU 142 Cb 0.07 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1rnl s LEU 142 CO 0.65 -0.97 0.00 1.67 0.23 0.00 0.00 176.35 177.94 1rnl n GLN 155 N -1.63 -0.60 -3.79 1.70 -0.06 -1.26 -5.02 117.38 106.72 1rnl n GLN 155 Ca -0.03 0.67 -0.37 0.00 -2.00 0.00 0.00 57.00 55.28 1rnl n GLN 155 Cb 0.64 -4.46 -0.13 0.00 -4.06 0.00 0.00 30.24 22.23 1rnl n GLN 155 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1rnl s LEU 156 N -1.49 3.86 0.37 1.69 2.96 -1.26 -5.08 118.68 119.73 1rnl s LEU 156 Ca 0.00 -0.84 -0.26 0.00 -0.22 0.00 0.00 54.13 52.81 1rnl s LEU 156 Cb 0.00 -1.84 -0.11 0.00 0.50 0.00 0.00 46.19 44.73 1rnl s LEU 156 CO 0.00 -0.21 1.18 0.41 -1.32 0.00 0.00 176.35 176.41 1rnl n THR 157 N 4.82 2.25 -0.34 3.68 -1.04 -1.26 -4.72 114.28 117.67 1rnl n THR 157 Ca -0.14 -0.50 0.17 0.00 -2.04 0.00 0.00 64.05 61.54 1rnl n THR 157 Cb 0.47 -1.39 0.38 0.00 -1.82 0.00 0.00 70.33 67.97 1rnl n THR 157 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1rnl h PRO 158 N 2.12 0.57 -0.43 -2.82 0.11 -1.99 0.14 132.00 129.70 1rnl h PRO 158 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1rnl h PRO 158 Cb 1.31 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1rnl h PRO 158 CO 0.60 0.38 -0.18 -0.09 -0.21 0.00 0.00 178.00 178.50 1rnl h ARG 159 N 0.59 0.82 -0.07 1.05 9.65 -2.00 -2.14 114.38 122.28 1rnl h ARG 159 Ca 0.64 -0.31 -0.11 0.00 -1.10 0.00 0.00 59.98 59.10 1rnl h ARG 159 Cb 1.20 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1rnl h ARG 159 CO -0.47 0.94 -0.44 0.93 2.80 0.00 0.00 179.97 183.73 1rnl h GLU 160 N 0.73 0.16 -0.11 0.20 5.08 -1.13 -1.26 114.58 118.24 1rnl h GLU 160 Ca 0.11 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1rnl h GLU 160 Cb 0.70 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1rnl h GLU 160 CO 0.05 0.57 -0.53 -0.09 -1.00 0.00 0.00 179.01 178.01 1rnl h ARG 161 N 0.13 0.32 -0.37 2.33 2.43 -0.86 0.22 114.38 118.58 1rnl h ARG 161 Ca 0.01 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1rnl h ARG 161 Cb 0.83 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1rnl h ARG 161 CO 0.06 0.78 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.63 1rnl h ASP 162 N 0.25 0.84 -0.34 -3.80 3.32 -0.92 -1.97 116.42 113.80 1rnl h ASP 162 Ca 0.01 -0.43 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 1rnl h ASP 162 Cb 1.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1rnl h ASP 162 CO 0.09 1.08 -0.23 0.40 -1.72 0.00 0.00 179.24 178.86 1rnl h ILE 163 N 0.60 1.27 -0.59 0.35 2.04 -1.04 -2.76 117.51 117.38 1rnl h ILE 163 Ca 0.08 -1.36 -0.09 0.00 1.00 0.00 0.00 64.86 64.48 1rnl h ILE 163 Cb 0.79 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1rnl h ILE 163 CO 0.06 0.46 -0.00 0.25 0.00 0.00 0.00 178.15 178.92 1rnl h LEU 164 N 0.73 1.00 -0.48 1.44 5.85 -0.86 -0.60 115.31 122.38 1rnl h LEU 164 Ca 0.10 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1rnl h LEU 164 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1rnl h LEU 164 CO 0.06 1.05 0.25 0.50 -0.34 0.00 0.00 178.44 179.96 1rnl h LYS 165 N 0.94 0.69 -0.17 1.25 3.64 -1.29 -0.55 116.57 121.08 1rnl h LYS 165 Ca 0.17 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1rnl h LYS 165 Cb 0.54 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1rnl h LYS 165 CO 0.03 0.56 -0.50 -0.07 -2.27 0.00 0.00 179.45 177.19 1rnl h LEU 166 N 0.64 0.51 -0.69 5.20 3.38 -1.31 -2.92 115.31 120.12 1rnl h LEU 166 Ca 0.17 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1rnl h LEU 166 Cb 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1rnl h LEU 166 CO -0.02 0.92 0.19 0.40 0.09 0.00 0.00 178.44 180.02 1rnl h ILE 167 N 0.37 1.26 -0.10 1.22 2.04 -0.83 -1.82 117.51 119.65 1rnl h ILE 167 Ca 0.02 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1rnl h ILE 167 Cb 1.01 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1rnl h ILE 167 CO 0.09 0.36 0.08 0.00 0.00 0.00 0.00 178.15 178.67 1rnl h ALA 168 N 1.08 1.96 -0.01 1.87 0.00 -0.92 0.87 119.26 124.12 1rnl h ALA 168 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1rnl h ALA 168 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rnl h ALA 168 CO -0.00 -0.13 -0.01 1.04 0.00 0.00 0.00 179.25 180.15 1rnl n GLN 169 N -4.31 1.31 -0.80 0.00 6.02 -0.71 -4.87 117.38 114.01 1rnl n GLN 169 Ca -0.01 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 1rnl n GLN 169 Cb 0.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1rnl n GLN 169 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rnl n GLY 170 N 1.12 0.55 3.76 1.08 0.00 0.30 -4.78 105.19 107.22 1rnl n GLY 170 Ca 0.20 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1rnl n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rnl s LEU 171 N 0.00 4.48 0.64 0.99 1.43 -1.06 -1.84 118.68 123.32 1rnl s LEU 171 Ca 0.00 2.19 -0.10 0.00 -1.03 0.00 0.00 54.13 55.19 1rnl s LEU 171 Cb 0.00 -3.73 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1rnl s LEU 171 CO 0.00 -0.18 1.02 -2.16 0.23 0.00 0.00 176.35 175.27 1rnl s PRO 172 N -1.62 3.18 0.24 1.29 0.04 -1.26 -4.70 135.00 132.17 1rnl s PRO 172 Ca 0.47 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 1rnl s PRO 172 Cb -0.29 -2.10 0.36 0.00 0.04 0.00 0.00 34.50 32.51 1rnl s PRO 172 CO 0.37 -0.76 1.62 -0.91 0.04 0.00 0.00 177.00 177.36 1rnl h ASN 173 N -0.41 -0.50 -0.58 6.66 2.35 -1.94 -2.11 115.58 119.05 1rnl h ASN 173 Ca -0.45 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1rnl h ASN 173 Cb 1.23 0.39 -0.03 0.00 0.05 0.00 0.00 38.32 39.96 1rnl h ASN 173 CO 0.63 -0.21 0.38 0.11 -1.65 0.00 0.00 177.43 176.69 1rnl h LYS 174 N 0.05 0.77 -0.20 0.81 1.57 -1.95 -1.61 116.57 116.02 1rnl h LYS 174 Ca 0.38 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 1rnl h LYS 174 Cb 0.63 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1rnl h LYS 174 CO -0.70 0.52 -0.32 0.52 -0.57 0.00 0.00 179.45 178.90 1rnl h MET 175 N 0.79 0.39 -0.44 3.15 2.86 -1.79 -2.37 114.93 117.53 1rnl h MET 175 Ca 0.21 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1rnl h MET 175 Cb -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1rnl h MET 175 CO -0.05 0.67 -0.22 0.82 1.06 0.00 0.00 176.91 179.20 1rnl h ILE 176 N 0.34 1.27 -0.09 -1.22 2.04 -1.14 -2.66 117.51 116.06 1rnl h ILE 176 Ca 0.04 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 1rnl h ILE 176 Cb 0.73 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1rnl h ILE 176 CO 0.06 0.46 0.03 0.00 0.00 0.00 0.00 178.15 178.70 1rnl h ALA 177 N 0.97 0.11 0.00 1.87 0.00 -1.08 -1.85 119.26 119.29 1rnl h ALA 177 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rnl h ALA 177 Cb 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rnl h ALA 177 CO 0.06 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.57 1rnl n ARG 178 N -4.91 0.01 -0.07 0.00 1.74 -0.91 -2.25 116.66 110.27 1rnl n ARG 178 Ca -0.06 0.24 -0.22 0.00 -0.77 0.00 0.00 57.85 57.04 1rnl n ARG 178 Cb 0.13 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.92 1rnl n ARG 178 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1rnl n ARG 179 N -1.55 0.65 -0.26 5.56 3.00 -1.00 -4.37 116.66 118.69 1rnl n ARG 179 Ca 0.04 0.40 0.08 0.00 -0.00 0.00 0.00 57.85 58.36 1rnl n ARG 179 Cb 0.19 -1.69 0.22 0.00 0.00 0.00 0.00 32.46 31.17 1rnl n ARG 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1rnl n LEU 180 N -3.97 2.67 -3.77 6.15 4.77 -0.72 -4.94 117.00 117.19 1rnl n LEU 180 Ca -0.35 -1.34 -0.25 0.00 -0.03 0.00 0.00 56.01 54.04 1rnl n LEU 180 Cb 0.87 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1rnl n LEU 180 CO 0.27 0.65 0.07 -0.67 -1.33 0.00 0.00 177.39 176.38 1rnl n ASP 181 N 0.92 -3.60 -4.33 -1.43 2.03 -0.95 -5.00 116.55 104.19 1rnl n ASP 181 Ca 0.16 -0.75 -0.17 0.00 0.52 0.00 0.00 54.79 54.55 1rnl n ASP 181 Cb 0.43 -4.19 -0.10 0.00 -0.72 0.00 0.00 41.12 36.54 1rnl n ASP 181 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1rnl s ILE 182 N -3.43 1.45 0.40 5.18 -4.36 -0.99 -5.07 121.20 114.38 1rnl s ILE 182 Ca 0.38 -2.13 -0.24 0.00 -0.26 0.00 0.00 60.65 58.41 1rnl s ILE 182 Cb -0.19 -2.09 -0.09 0.00 1.25 0.00 0.00 42.46 41.34 1rnl s ILE 182 CO 0.80 -0.56 1.04 0.28 0.24 0.00 0.00 174.94 176.74 1rnl s THR 183 N -3.15 3.78 0.47 8.37 -1.32 -1.26 -4.46 115.64 118.07 1rnl s THR 183 Ca 0.23 1.34 0.15 0.00 -1.21 0.00 0.00 61.69 62.19 1rnl s THR 183 Cb 0.02 -3.68 0.32 0.00 -1.51 0.00 0.00 72.50 67.65 1rnl s THR 183 CO 0.06 -0.02 2.04 -0.08 -2.21 0.00 0.00 174.62 174.41 1rnl h GLU 184 N 2.43 0.25 -0.83 7.08 4.81 -1.91 -1.78 114.58 124.63 1rnl h GLU 184 Ca -0.48 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 1rnl h GLU 184 Cb 1.21 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1rnl h GLU 184 CO 0.62 0.16 0.37 0.77 -0.73 0.00 0.00 179.01 180.21 1rnl h SER 185 N 0.26 1.10 0.94 1.04 0.02 -1.98 -1.58 113.55 113.35 1rnl h SER 185 Ca 0.18 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1rnl h SER 185 Cb 0.39 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1rnl h SER 185 CO -0.04 0.95 -0.47 0.71 -1.14 0.00 0.00 176.83 176.84 1rnl h THR 186 N 1.19 1.01 -0.04 -2.27 1.35 -1.72 -2.14 112.91 110.28 1rnl h THR 186 Ca 0.28 -1.85 -0.01 0.00 -0.55 0.00 0.00 66.41 64.28 1rnl h THR 186 Cb 0.15 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1rnl h THR 186 CO -0.03 0.46 0.00 0.58 -0.25 0.00 0.00 175.52 176.28 1rnl h VAL 187 N 0.00 1.23 -0.85 6.82 2.07 -0.98 -0.09 116.25 124.45 1rnl h VAL 187 Ca -0.00 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1rnl h VAL 187 Cb 1.07 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 1rnl h VAL 187 CO 0.06 0.19 0.55 0.11 0.02 0.00 0.00 177.57 178.50 1rnl h LYS 188 N -0.20 1.05 -0.60 1.57 1.57 -1.22 0.23 116.57 118.97 1rnl h LYS 188 Ca 0.01 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1rnl h LYS 188 Cb 0.30 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1rnl h LYS 188 CO 0.00 0.69 0.05 0.28 -0.57 0.00 0.00 179.45 179.90 1rnl h VAL 189 N 1.08 1.26 -0.27 0.50 2.07 -1.24 -1.64 116.25 118.01 1rnl h VAL 189 Ca 0.34 -1.06 -0.16 0.00 0.82 0.00 0.00 66.70 66.64 1rnl h VAL 189 Cb -0.01 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1rnl h VAL 189 CO -0.11 0.39 -0.45 0.45 0.02 0.00 0.00 177.57 177.87 1rnl h HIS 190 N 0.93 0.97 -0.09 1.57 3.86 -0.16 -2.66 115.15 119.58 1rnl h HIS 190 Ca 0.18 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1rnl h HIS 190 Cb 0.48 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1rnl h HIS 190 CO 0.03 1.13 0.04 0.28 0.86 0.00 0.00 177.93 180.27 1rnl h VAL 191 N 0.52 1.11 0.00 2.45 2.07 -0.43 -1.56 116.25 120.42 1rnl h VAL 191 Ca 0.02 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1rnl h VAL 191 Cb 1.05 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1rnl h VAL 191 CO 0.10 0.10 -0.29 0.07 0.02 0.00 0.00 177.57 177.57 1rnl h LYS 192 N 0.02 0.00 0.03 1.57 2.10 -1.37 -1.79 116.57 117.13 1rnl h LYS 192 Ca 0.03 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.60 1rnl h LYS 192 Cb 0.12 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1rnl h LYS 192 CO -0.00 0.29 -0.33 1.25 -2.00 0.00 0.00 179.45 178.66 1rnl h HIS 193 N 0.00 0.27 0.00 0.07 2.76 -1.26 -2.72 115.15 114.27 1rnl h HIS 193 Ca -0.00 -0.17 -0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1rnl h HIS 193 Cb 0.67 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 1rnl h HIS 193 CO 0.00 1.04 -0.19 0.00 -1.30 0.00 0.00 177.93 177.48 1rnl h MET 194 N -0.58 0.00 0.15 5.26 -0.00 -1.31 -1.10 114.93 117.36 1rnl h MET 194 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 1rnl h MET 194 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.76 1rnl h MET 194 CO 0.06 0.19 -0.07 1.25 -0.00 0.00 0.00 176.91 178.34 1rnl h LEU 195 N 0.00 -0.17 -1.83 -0.10 5.85 -1.41 -0.78 115.31 116.86 1rnl h LEU 195 Ca -0.00 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1rnl h LEU 195 Cb 0.88 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1rnl h LEU 195 CO 0.03 0.39 -0.07 0.50 -0.34 0.00 0.00 178.44 178.95 1rnl h LYS 196 N -0.85 0.00 0.08 1.25 1.63 -1.51 -2.19 116.57 114.97 1rnl h LYS 196 Ca -0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1rnl h LYS 196 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1rnl h LYS 196 CO 0.03 0.07 -0.04 -0.22 -3.45 0.00 0.00 179.45 175.84 1rnl h LYS 197 N 0.00 -0.10 -0.97 1.90 3.64 -1.14 -3.32 116.57 116.57 1rnl h LYS 197 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1rnl h LYS 197 Cb 0.40 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1rnl h LYS 197 CO 0.01 0.45 0.00 -1.33 -2.27 0.00 0.00 179.45 176.31 1rnl n MET 198 N -4.81 1.27 -3.75 1.90 2.81 -0.30 -4.86 117.12 109.39 1rnl n MET 198 Ca -0.07 -0.22 -0.28 0.00 -1.81 0.00 0.00 57.70 55.32 1rnl n MET 198 Cb 0.29 -1.55 0.04 0.00 -0.71 0.00 0.00 33.22 31.29 1rnl n MET 198 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1rnl n LYS 199 N 0.05 -6.13 -4.55 0.03 4.01 -1.16 -4.98 118.16 105.43 1rnl n LYS 199 Ca 0.02 0.68 -0.34 0.00 -0.51 0.00 0.00 58.31 58.16 1rnl n LYS 199 Cb 0.32 -5.61 -0.12 0.00 -0.51 0.00 0.00 35.03 29.11 1rnl n LYS 199 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1rnl s LEU 200 N -7.23 3.16 0.10 -0.35 1.43 -0.84 -5.03 118.68 109.92 1rnl s LEU 200 Ca 0.61 -0.09 0.22 0.00 -1.03 0.00 0.00 54.13 53.85 1rnl s LEU 200 Cb -0.30 -1.72 -0.15 0.00 0.03 0.00 0.00 46.19 44.05 1rnl s LEU 200 CO 0.76 0.27 0.79 2.29 0.23 0.00 0.00 176.35 180.68 1rnl n LYS 201 N 2.86 0.63 -4.09 1.70 2.85 -1.26 -4.33 118.16 116.51 1rnl n LYS 201 Ca -0.18 -0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 56.95 1rnl n LYS 201 Cb 0.53 -1.69 -0.08 0.00 -0.65 0.00 0.00 35.03 33.15 1rnl n LYS 201 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1rnl s SER 202 N -4.97 0.02 0.18 -5.58 1.04 -1.26 -4.96 113.70 98.18 1rnl s SER 202 Ca -0.04 -1.15 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 1rnl s SER 202 Cb 0.12 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.79 1rnl s SER 202 CO 0.84 -1.00 1.44 0.03 0.98 0.00 0.00 173.24 175.53 1rnl h ARG 203 N 2.43 0.37 -0.04 4.02 3.08 -1.92 -2.20 114.38 120.12 1rnl h ARG 203 Ca -0.31 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.34 1rnl h ARG 203 Cb 1.25 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1rnl h ARG 203 CO 0.44 0.95 -0.44 -0.39 -1.07 0.00 0.00 179.97 179.46 1rnl h VAL 204 N 0.25 1.32 -0.14 2.04 -1.51 -1.92 -0.97 116.25 115.32 1rnl h VAL 204 Ca -0.03 -1.53 -0.18 0.00 -1.23 0.00 0.00 66.70 63.73 1rnl h VAL 204 Cb 1.31 1.78 -0.00 0.00 -2.13 0.00 0.00 31.29 32.25 1rnl h VAL 204 CO 0.12 0.44 -0.66 -0.08 -1.23 0.00 0.00 177.57 176.17 1rnl h GLU 205 N 0.07 0.55 -0.48 5.19 4.81 -1.92 -0.67 114.58 122.12 1rnl h GLU 205 Ca 0.00 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 58.74 1rnl h GLU 205 Cb 0.80 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1rnl h GLU 205 CO 0.06 1.02 -0.05 0.00 -0.73 0.00 0.00 179.01 179.32 1rnl h ALA 206 N 0.88 0.66 -0.41 2.92 0.00 -1.08 -0.50 119.26 121.73 1rnl h ALA 206 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1rnl h ALA 206 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1rnl h ALA 206 CO 0.12 0.50 0.04 0.00 0.00 0.00 0.00 179.25 179.91 1rnl h ALA 207 N 0.91 0.55 -0.58 0.00 0.00 -1.06 -2.08 119.26 117.00 1rnl h ALA 207 Ca 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1rnl h ALA 207 Cb 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rnl h ALA 207 CO 0.03 0.29 0.12 0.28 0.00 0.00 0.00 179.25 179.98 1rnl h VAL 208 N 0.54 1.25 0.32 0.00 2.07 -1.01 -2.57 116.25 116.84 1rnl h VAL 208 Ca 0.12 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1rnl h VAL 208 Cb 0.42 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1rnl h VAL 208 CO 0.01 0.34 -0.21 -0.25 0.02 0.00 0.00 177.57 177.48 1rnl h TRP 209 N 0.84 -0.56 -0.42 1.57 7.01 -0.95 0.11 115.95 123.55 1rnl h TRP 209 Ca 0.18 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.26 1rnl h TRP 209 Cb 0.38 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.56 1rnl h TRP 209 CO 0.03 -0.33 -0.07 0.28 -2.79 0.00 0.00 178.44 175.55 1rnl h VAL 210 N -0.52 0.61 -0.11 2.65 2.07 -1.33 -1.38 116.25 118.23 1rnl h VAL 210 Ca -0.03 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1rnl h VAL 210 Cb 0.44 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1rnl h VAL 210 CO 0.02 0.01 -0.32 0.45 0.02 0.00 0.00 177.57 177.75 1rnl h HIS 211 N 0.03 0.24 -0.28 1.57 3.86 -1.31 0.18 115.15 119.44 1rnl h HIS 211 Ca 0.20 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1rnl h HIS 211 Cb 0.31 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1rnl h HIS 211 CO -0.34 0.51 0.12 0.37 0.86 0.00 0.00 177.93 179.45 1rnl h GLN 212 N 0.19 0.42 -0.02 2.45 4.15 0.07 -2.84 115.11 119.52 1rnl h GLN 212 Ca 0.03 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1rnl h GLN 212 Cb 0.66 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1rnl h GLN 212 CO 0.05 0.44 0.00 0.39 -1.93 0.00 0.00 178.83 177.78 1rnl n GLU 213 N -4.76 1.91 -3.94 1.69 1.02 -0.70 -4.97 120.64 110.89 1rnl n GLU 213 Ca -0.02 -1.32 -0.28 0.00 -0.02 0.00 0.00 57.16 55.51 1rnl n GLU 213 Cb 0.13 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 1rnl n GLU 213 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rnl n ARG 214 N 0.61 -2.49 0.28 3.49 1.74 0.60 -4.85 116.66 116.04 1rnl n ARG 214 Ca 0.17 0.36 0.16 0.00 -0.77 0.00 0.00 57.85 57.77 1rnl n ARG 214 Cb 0.44 -4.23 0.82 0.00 -1.02 0.00 0.00 32.46 28.47 1rnl n ARG 214 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1rnl h ILE 215 N -1.90 0.34 0.00 0.55 2.04 -1.78 -3.50 117.51 113.26 1rnl h ILE 215 Ca -0.65 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1rnl h ILE 215 Cb 1.38 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1rnl h ILE 215 CO 0.60 0.07 0.00 0.49 0.00 0.00 0.00 178.15 179.31