#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a04 s PRO 6 N 0.00 3.66 0.40 3.44 0.04 -1.26 -4.99 135.00 136.28 1a04 s PRO 6 Ca 0.00 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 1a04 s PRO 6 Cb 0.00 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1a04 s PRO 6 CO 0.00 -0.54 1.41 0.00 0.04 0.00 0.00 177.00 177.91 1a04 s ALA 7 N -2.24 3.40 -0.00 8.56 0.00 0.73 -4.72 121.76 127.49 1a04 s ALA 7 Ca 0.65 1.44 -0.18 0.00 0.00 0.00 0.00 51.96 53.87 1a04 s ALA 7 Cb -0.15 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 1a04 s ALA 7 CO 0.27 -1.01 0.51 0.95 0.00 0.00 0.00 175.76 176.48 1a04 s THR 8 N -1.18 4.95 -0.06 0.00 -4.23 -1.26 -0.22 115.64 113.65 1a04 s THR 8 Ca 0.56 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 62.16 1a04 s THR 8 Cb -0.43 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.58 1a04 s THR 8 CO 0.57 0.49 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.37 1a04 s ILE 9 N -0.56 1.21 -0.15 2.99 1.01 0.82 -1.49 121.20 125.02 1a04 s ILE 9 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 1a04 s ILE 9 Cb -0.18 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1a04 s ILE 9 CO 0.15 0.36 -0.07 -0.22 0.00 0.00 0.00 174.94 175.17 1a04 s LEU 10 N 0.42 3.05 -0.24 2.97 2.96 -0.07 0.02 118.68 127.78 1a04 s LEU 10 Ca -0.10 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 1a04 s LEU 10 Cb -0.14 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1a04 s LEU 10 CO 0.03 0.15 0.08 -0.76 -1.32 0.00 0.00 176.35 174.54 1a04 s LEU 11 N 0.44 3.55 -0.30 -0.68 1.43 -0.92 -0.53 118.68 121.67 1a04 s LEU 11 Ca -0.06 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1a04 s LEU 11 Cb -0.15 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.20 1a04 s LEU 11 CO 0.04 -0.01 -0.03 -0.63 0.23 0.00 0.00 176.35 175.95 1a04 s ILE 12 N 1.45 2.20 0.22 -0.59 1.01 0.18 -0.71 121.20 124.96 1a04 s ILE 12 Ca 0.06 -1.98 -0.22 0.00 0.00 0.00 0.00 60.65 58.50 1a04 s ILE 12 Cb -0.15 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.90 1a04 s ILE 12 CO 0.04 -0.32 0.69 1.51 0.00 0.00 0.00 174.94 176.86 1a04 s ASP 13 N 1.01 -0.37 -0.35 3.58 -4.77 -0.66 -1.00 116.67 114.12 1a04 s ASP 13 Ca 0.01 -0.36 0.15 0.00 -3.30 0.00 0.00 52.55 49.05 1a04 s ASP 13 Cb -0.19 0.66 0.40 0.00 -1.09 0.00 0.00 42.92 42.70 1a04 s ASP 13 CO -0.07 -1.17 0.83 -0.67 0.70 0.00 0.00 175.17 174.79 1a04 n ASP 14 N -0.43 1.12 -3.25 2.11 2.03 -1.26 -3.88 116.55 113.00 1a04 n ASP 14 Ca -0.09 -2.88 -0.20 0.00 0.52 0.00 0.00 54.79 52.14 1a04 n ASP 14 Cb 0.61 -0.58 -0.07 0.00 -0.72 0.00 0.00 41.12 40.36 1a04 n ASP 14 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1a04 s HIS 15 N -2.74 0.12 0.27 -0.67 2.46 -1.26 -4.88 115.29 108.60 1a04 s HIS 15 Ca 0.34 -1.53 -0.04 0.00 0.47 0.00 0.00 55.06 54.31 1a04 s HIS 15 Cb 0.40 -0.52 0.56 0.00 -0.13 0.00 0.00 32.58 32.89 1a04 s HIS 15 CO -0.03 -0.96 1.61 -1.35 -2.47 0.00 0.00 174.74 171.54 1a04 h PRO 16 N 5.94 0.06 -0.16 2.88 0.11 -1.99 -0.20 132.00 138.64 1a04 h PRO 16 Ca 0.16 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1a04 h PRO 16 Cb 0.99 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1a04 h PRO 16 CO 0.24 0.04 -0.17 1.98 -0.21 0.00 0.00 178.00 179.88 1a04 h MET 17 N 0.06 0.27 -0.01 1.05 4.05 -1.99 -1.56 114.93 116.80 1a04 h MET 17 Ca 0.49 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.83 1a04 h MET 17 Cb 0.91 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 1a04 h MET 17 CO -0.79 0.44 -0.01 1.25 0.23 0.00 0.00 176.91 178.03 1a04 h LEU 18 N 0.25 0.02 -0.99 3.39 5.85 -1.48 -3.03 115.31 119.32 1a04 h LEU 18 Ca 0.05 -0.57 0.09 0.00 0.84 0.00 0.00 57.88 58.28 1a04 h LEU 18 Cb 0.46 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1a04 h LEU 18 CO 0.03 0.59 0.63 -0.09 -0.34 0.00 0.00 178.44 179.26 1a04 h ARG 19 N -0.54 1.05 0.23 1.25 2.43 -1.13 -1.85 114.38 115.82 1a04 h ARG 19 Ca 0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1a04 h ARG 19 Cb 0.59 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1a04 h ARG 19 CO 0.00 0.69 -0.14 1.15 -1.51 0.00 0.00 179.97 180.16 1a04 h THR 20 N 1.08 0.69 -0.72 0.20 2.02 -1.32 0.11 112.91 114.97 1a04 h THR 20 Ca 0.45 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.56 1a04 h THR 20 Cb 0.30 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1a04 h THR 20 CO -0.21 0.00 0.18 1.23 0.37 0.00 0.00 175.52 177.09 1a04 h GLY 21 N -0.36 1.24 0.86 2.16 0.00 -1.37 -0.34 103.07 105.24 1a04 h GLY 21 Ca -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.51 1a04 h GLY 21 CO 0.02 0.72 0.04 -2.08 0.00 0.00 0.00 176.54 175.24 1a04 h VAL 22 N 1.09 1.22 0.00 4.60 2.07 -1.22 -1.52 116.25 122.50 1a04 h VAL 22 Ca 0.23 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1a04 h VAL 22 Cb 0.37 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1a04 h VAL 22 CO 0.00 0.23 -0.33 0.11 0.02 0.00 0.00 177.57 177.61 1a04 h LYS 23 N 0.19 0.00 -0.19 1.57 1.57 -0.62 -0.93 116.57 118.17 1a04 h LYS 23 Ca 0.07 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1a04 h LYS 23 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1a04 h LYS 23 CO 0.00 0.33 -0.09 1.96 -0.57 0.00 0.00 179.45 181.08 1a04 h GLN 24 N 0.00 0.39 -0.46 3.15 1.08 -0.82 -2.00 115.11 116.46 1a04 h GLN 24 Ca -0.00 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 56.95 1a04 h GLN 24 Cb 0.60 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1a04 h GLN 24 CO 0.04 0.69 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.53 1a04 h LEU 25 N 0.09 0.80 -1.44 1.46 3.38 -1.03 -3.00 115.31 115.57 1a04 h LEU 25 Ca 0.04 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1a04 h LEU 25 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1a04 h LEU 25 CO 0.03 0.92 -0.02 0.40 0.09 0.00 0.00 178.44 179.86 1a04 h ILE 26 N 0.66 1.16 0.00 1.22 2.04 -1.17 -1.59 117.51 119.83 1a04 h ILE 26 Ca 0.13 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1a04 h ILE 26 Cb 0.52 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1a04 h ILE 26 CO 0.03 0.21 0.00 -1.54 0.00 0.00 0.00 178.15 176.84 1a04 n SER 27 N -4.33 0.00 -0.48 1.72 3.41 -0.75 -2.36 113.62 110.82 1a04 n SER 27 Ca 0.00 -0.23 0.04 0.00 -0.26 0.00 0.00 58.87 58.43 1a04 n SER 27 Cb 0.21 -0.19 0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1a04 n SER 27 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1a04 n MET 28 N -1.19 2.65 -3.95 4.33 2.81 -0.60 -4.80 117.12 116.37 1a04 n MET 28 Ca 0.12 -1.84 -0.31 0.00 -1.81 0.00 0.00 57.70 53.86 1a04 n MET 28 Cb 0.13 -1.20 -0.15 0.00 -0.71 0.00 0.00 33.22 31.29 1a04 n MET 28 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a04 s ALA 29 N -0.97 2.75 0.54 3.04 0.00 -0.99 -5.01 121.76 121.11 1a04 s ALA 29 Ca 0.17 -2.57 0.30 0.00 0.00 0.00 0.00 51.96 49.86 1a04 s ALA 29 Cb 0.09 -1.96 1.47 0.00 0.00 0.00 0.00 23.12 22.72 1a04 s ALA 29 CO 0.12 -1.78 1.91 -1.35 0.00 0.00 0.00 175.76 174.66 1a04 h PRO 30 N 7.39 0.00 -0.33 0.00 0.11 -1.87 -2.48 132.00 134.83 1a04 h PRO 30 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1a04 h PRO 30 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1a04 h PRO 30 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1a04 n ASP 31 N -4.27 2.30 -4.08 -2.05 5.75 -1.26 -4.67 116.55 108.27 1a04 n ASP 31 Ca 0.16 -1.88 -0.16 0.00 -0.01 0.00 0.00 54.79 52.90 1a04 n ASP 31 Cb 0.89 -0.22 -0.13 0.00 -1.03 0.00 0.00 41.12 40.63 1a04 n ASP 31 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1a04 s ILE 32 N -1.57 0.76 -0.08 2.12 -4.36 -0.93 -0.20 121.20 116.94 1a04 s ILE 32 Ca 0.32 -0.94 -0.21 0.00 -0.26 0.00 0.00 60.65 59.56 1a04 s ILE 32 Cb 0.18 -0.74 0.05 0.00 1.25 0.00 0.00 42.46 43.19 1a04 s ILE 32 CO 0.25 -0.16 0.50 0.28 0.24 0.00 0.00 174.94 176.05 1a04 s THR 33 N -0.99 0.02 -0.13 8.37 -1.32 0.70 -4.78 115.64 117.52 1a04 s THR 33 Ca -0.03 -0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 1a04 s THR 33 Cb -0.08 -0.78 -0.01 0.00 -1.51 0.00 0.00 72.50 70.12 1a04 s THR 33 CO 0.01 -0.09 1.00 -0.69 -2.21 0.00 0.00 174.62 172.64 1a04 s VAL 34 N -0.77 4.78 -0.99 5.08 1.01 -1.26 -0.13 120.40 128.12 1a04 s VAL 34 Ca -0.08 2.02 0.12 0.00 0.00 0.00 0.00 61.98 64.04 1a04 s VAL 34 Cb -0.03 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1a04 s VAL 34 CO 0.05 -0.02 0.66 1.33 0.00 0.00 0.00 175.10 177.13 1a04 n VAL 35 N 4.66 0.00 -3.58 2.92 0.24 0.10 -4.85 118.33 117.81 1a04 n VAL 35 Ca 0.09 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.34 62.00 1a04 n VAL 35 Cb 0.48 1.11 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 1a04 n VAL 35 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1a04 s GLY 36 N -1.72 -0.39 -0.14 7.63 0.00 -1.21 -5.01 107.32 106.49 1a04 s GLY 36 Ca 0.09 0.83 -0.09 0.00 0.00 0.00 0.00 44.72 45.54 1a04 s GLY 36 CO 0.36 0.26 0.35 -0.54 0.00 0.00 0.00 173.10 173.53 1a04 s GLU 37 N -3.05 0.35 -0.00 2.90 2.02 -1.26 -2.17 118.70 117.49 1a04 s GLU 37 Ca 0.08 0.62 0.00 0.00 0.02 0.00 0.00 54.97 55.70 1a04 s GLU 37 Cb -0.01 0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.24 1a04 s GLU 37 CO -0.05 -0.12 -0.02 0.00 0.02 0.00 0.00 175.26 175.09 1a04 s ALA 38 N 0.97 0.13 -2.82 5.21 0.00 0.11 -4.97 121.76 120.39 1a04 s ALA 38 Ca -0.06 -0.06 0.25 0.00 0.00 0.00 0.00 51.96 52.08 1a04 s ALA 38 Cb -0.07 -0.03 0.47 0.00 0.00 0.00 0.00 23.12 23.49 1a04 s ALA 38 CO -0.07 0.03 1.42 0.43 0.00 0.00 0.00 175.76 177.57 1a04 n SER 39 N 3.05 2.53 -3.73 0.00 7.64 -1.25 -1.65 113.62 120.22 1a04 n SER 39 Ca -0.12 -1.84 -0.11 0.00 1.01 0.00 0.00 58.87 57.80 1a04 n SER 39 Cb 0.59 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 1a04 n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1a04 s ASN 40 N -1.98 -0.14 0.26 6.43 2.20 -1.26 -4.32 114.94 116.13 1a04 s ASN 40 Ca 0.32 -0.25 -0.04 0.00 -0.94 0.00 0.00 52.86 51.95 1a04 s ASN 40 Cb 0.20 0.39 0.36 0.00 -2.00 0.00 0.00 41.25 40.21 1a04 s ASN 40 CO 0.31 -0.69 1.90 1.23 -2.94 0.00 0.00 177.10 176.91 1a04 h GLY 41 N 2.93 1.48 0.97 0.45 0.00 -1.96 -1.41 103.07 105.53 1a04 h GLY 41 Ca -0.32 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1a04 h GLY 41 CO 0.47 0.40 0.22 0.83 0.00 0.00 0.00 176.54 178.46 1a04 h GLU 42 N 1.24 0.55 0.50 4.80 3.07 -1.98 0.10 114.58 122.86 1a04 h GLU 42 Ca 0.41 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.18 1a04 h GLU 42 Cb 0.05 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1a04 h GLU 42 CO -0.14 0.45 -0.24 0.37 -1.40 0.00 0.00 179.01 178.05 1a04 h GLN 43 N 0.51 -0.65 -0.83 2.33 4.15 -1.94 -3.08 115.11 115.60 1a04 h GLN 43 Ca 0.14 0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.71 1a04 h GLN 43 Cb 0.06 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1a04 h GLN 43 CO -0.02 -0.35 0.54 0.78 -1.93 0.00 0.00 178.83 177.85 1a04 h GLY 44 N -0.92 1.12 1.05 2.39 0.00 -1.13 -2.10 103.07 103.48 1a04 h GLY 44 Ca -0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1a04 h GLY 44 CO 0.11 0.17 0.12 -2.22 0.00 0.00 0.00 176.54 174.72 1a04 h ILE 45 N 0.76 1.26 -0.11 2.60 2.04 -0.82 0.58 117.51 123.82 1a04 h ILE 45 Ca 0.39 -0.99 -0.17 0.00 1.00 0.00 0.00 64.86 65.09 1a04 h ILE 45 Cb 0.49 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1a04 h ILE 45 CO -0.16 0.37 -0.64 -0.33 0.00 0.00 0.00 178.15 177.40 1a04 h GLU 46 N 0.98 0.40 -0.45 2.37 3.07 -1.34 -3.00 114.58 116.62 1a04 h GLU 46 Ca 0.20 -0.29 -0.13 0.00 -0.50 0.00 0.00 59.36 58.64 1a04 h GLU 46 Cb 0.41 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1a04 h GLU 46 CO 0.01 0.91 -0.22 -0.07 -1.40 0.00 0.00 179.01 178.23 1a04 h LEU 47 N 0.29 0.93 -0.36 1.33 3.38 -1.17 -2.79 115.31 116.93 1a04 h LEU 47 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1a04 h LEU 47 Cb 1.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1a04 h LEU 47 CO 0.11 1.11 0.23 0.00 0.09 0.00 0.00 178.44 179.98 1a04 h ALA 48 N 0.95 0.46 -0.36 1.53 0.00 -0.84 -0.39 119.26 120.60 1a04 h ALA 48 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1a04 h ALA 48 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1a04 h ALA 48 CO 0.06 -0.06 -0.22 1.49 0.00 0.00 0.00 179.25 180.53 1a04 h GLU 49 N 0.48 0.70 0.03 0.00 4.81 -1.49 0.20 114.58 119.31 1a04 h GLU 49 Ca 0.13 -0.27 -0.25 0.00 -0.13 0.00 0.00 59.36 58.84 1a04 h GLU 49 Cb -0.02 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.34 1a04 h GLU 49 CO -0.03 0.86 -0.99 0.66 -0.73 0.00 0.00 179.01 178.78 1a04 h SER 50 N 0.62 0.82 1.03 1.04 4.64 -1.37 -3.33 113.55 117.00 1a04 h SER 50 Ca 0.09 -0.77 -0.20 0.00 -0.47 0.00 0.00 61.79 60.44 1a04 h SER 50 Cb 0.70 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1a04 h SER 50 CO 0.05 1.49 -0.99 -0.07 -0.87 0.00 0.00 176.83 176.44 1a04 h LEU 51 N 0.25 0.00 -3.13 5.97 3.38 -1.08 -3.48 115.31 117.22 1a04 h LEU 51 Ca -0.13 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.27 1a04 h LEU 51 Cb 1.67 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.37 1a04 h LEU 51 CO 0.19 0.90 -0.98 -0.67 0.09 0.00 0.00 178.44 177.98 1a04 n ASP 52 N -3.29 -2.62 -4.77 -0.43 2.03 0.70 -4.91 116.55 103.25 1a04 n ASP 52 Ca -0.02 -1.22 -0.31 0.00 0.52 0.00 0.00 54.79 53.77 1a04 n ASP 52 Cb 0.91 -2.09 0.09 0.00 -0.72 0.00 0.00 41.12 39.31 1a04 n ASP 52 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1a04 s PRO 53 N -7.10 2.34 0.39 -0.67 0.04 -1.26 -4.75 135.00 124.00 1a04 s PRO 53 Ca 0.31 1.17 0.10 0.00 0.04 0.00 0.00 61.00 62.63 1a04 s PRO 53 Cb -0.16 -1.91 0.80 0.00 0.04 0.00 0.00 34.50 33.28 1a04 s PRO 53 CO 0.95 -1.58 1.92 -0.44 0.04 0.00 0.00 177.00 177.89 1a04 h ASP 54 N -1.00 0.18 -3.59 6.66 3.32 -1.75 -3.32 116.42 116.91 1a04 h ASP 54 Ca -0.44 -0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.34 1a04 h ASP 54 Cb 1.23 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 1a04 h ASP 54 CO 0.52 0.36 -0.63 -0.22 -1.72 0.00 0.00 179.24 177.55 1a04 s LEU 55 N -8.71 1.20 -0.18 1.55 2.96 -0.56 -0.81 118.68 114.14 1a04 s LEU 55 Ca -0.05 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1a04 s LEU 55 Cb 0.15 0.26 0.01 0.00 0.50 0.00 0.00 46.19 47.12 1a04 s LEU 55 CO 0.73 -0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.86 1a04 s ILE 56 N 0.65 2.28 -0.31 6.68 1.01 -0.30 -0.89 121.20 130.32 1a04 s ILE 56 Ca -0.05 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1a04 s ILE 56 Cb -0.07 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1a04 s ILE 56 CO -0.03 0.52 0.26 -0.76 0.00 0.00 0.00 174.94 174.93 1a04 s LEU 57 N 1.26 4.23 -0.19 2.97 1.43 0.31 -1.33 118.68 127.36 1a04 s LEU 57 Ca 0.04 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1a04 s LEU 57 Cb -0.13 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 1a04 s LEU 57 CO -0.10 -0.17 -0.11 -0.22 0.23 0.00 0.00 176.35 175.98 1a04 s LEU 58 N 1.83 2.61 -0.27 1.79 2.96 -0.21 -0.65 118.68 126.75 1a04 s LEU 58 Ca 0.09 -0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 53.25 1a04 s LEU 58 Cb -0.16 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1a04 s LEU 58 CO 0.11 0.03 1.15 -0.62 -1.32 0.00 0.00 176.35 175.69 1a04 s ASP 59 N 1.18 6.91 0.00 3.68 2.15 -0.17 0.16 116.67 130.58 1a04 s ASP 59 Ca 0.02 1.26 0.25 0.00 0.43 0.00 0.00 52.55 54.50 1a04 s ASP 59 Cb -0.14 -2.54 0.98 0.00 -0.30 0.00 0.00 42.92 40.92 1a04 s ASP 59 CO -0.04 -0.86 1.69 0.18 -0.17 0.00 0.00 175.17 175.97 1a04 n LEU 60 N 6.88 1.38 -0.97 -1.34 4.77 -0.19 -4.03 117.00 123.51 1a04 n LEU 60 Ca 0.13 -0.52 0.05 0.00 -0.03 0.00 0.00 56.01 55.64 1a04 n LEU 60 Cb 0.46 -0.05 0.25 0.00 -2.33 0.00 0.00 43.42 41.75 1a04 n LEU 60 CO 0.58 0.26 0.72 0.59 -1.33 0.00 0.00 177.39 178.21 1a04 n ASN 61 N 0.10 3.61 -4.79 -1.43 5.03 -1.26 -3.74 115.26 112.77 1a04 n ASN 61 Ca 0.18 -3.18 -0.31 0.00 0.87 0.00 0.00 54.58 52.14 1a04 n ASN 61 Cb 0.31 -0.57 0.08 0.00 -1.02 0.00 0.00 39.78 38.58 1a04 n ASN 61 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1a04 s MET 62 N -2.92 2.48 -0.05 3.52 -1.94 -1.26 -4.92 119.30 114.20 1a04 s MET 62 Ca 0.43 0.97 -0.37 0.00 -1.71 0.00 0.00 55.69 55.00 1a04 s MET 62 Cb 0.36 -1.94 -0.16 0.00 2.01 0.00 0.00 34.83 35.10 1a04 s MET 62 CO 0.07 -1.43 1.55 -2.30 -0.01 0.00 0.00 175.02 172.90 1a04 n PRO 63 N -3.35 1.33 0.00 2.03 -0.02 -1.26 -3.48 135.00 130.25 1a04 n PRO 63 Ca 0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1a04 n PRO 63 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1a04 n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a04 n GLY 64 N 3.36 1.30 3.94 -1.23 0.00 -1.26 -4.81 105.19 106.48 1a04 n GLY 64 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1a04 n GLY 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a04 n MET 65 N 0.00 -5.15 -2.69 1.61 2.81 -1.23 -4.89 117.12 107.58 1a04 n MET 65 Ca 0.00 0.57 -0.07 0.00 -1.81 0.00 0.00 57.70 56.38 1a04 n MET 65 Cb 0.00 -5.40 0.04 0.00 -0.71 0.00 0.00 33.22 27.15 1a04 n MET 65 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1a04 n ASN 66 N -2.83 1.36 -0.19 7.83 6.94 -1.26 -4.93 115.26 122.17 1a04 n ASN 66 Ca 0.01 -2.57 -0.08 0.00 -0.02 0.00 0.00 54.58 51.92 1a04 n ASN 66 Cb 0.54 -0.47 0.02 0.00 -2.36 0.00 0.00 39.78 37.50 1a04 n ASN 66 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1a04 h GLY 67 N 2.89 0.88 1.35 4.83 0.00 -1.89 -2.22 103.07 108.92 1a04 h GLY 67 Ca -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1a04 h GLY 67 CO 0.42 0.46 0.19 -2.00 0.00 0.00 0.00 176.54 175.61 1a04 h LEU 68 N 0.75 0.76 -0.83 3.11 5.85 -1.92 0.07 115.31 123.10 1a04 h LEU 68 Ca 0.18 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1a04 h LEU 68 Cb 0.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1a04 h LEU 68 CO -0.01 0.71 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.56 1a04 h GLU 69 N 0.81 0.71 -0.19 1.25 4.81 -1.91 -0.27 114.58 119.79 1a04 h GLU 69 Ca 0.19 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1a04 h GLU 69 Cb 0.21 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1a04 h GLU 69 CO -0.01 0.83 -0.57 1.15 -0.73 0.00 0.00 179.01 179.68 1a04 h THR 70 N 0.63 1.32 -0.60 0.32 2.02 -0.81 -1.82 112.91 113.98 1a04 h THR 70 Ca 0.10 -1.82 -0.05 0.00 0.77 0.00 0.00 66.41 65.42 1a04 h THR 70 Cb 0.62 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 1a04 h THR 70 CO 0.04 0.57 0.20 0.25 0.37 0.00 0.00 175.52 176.95 1a04 h LEU 71 N 0.44 0.86 -0.14 2.58 5.85 -0.61 -0.96 115.31 123.34 1a04 h LEU 71 Ca 0.00 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1a04 h LEU 71 Cb 1.12 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1a04 h LEU 71 CO 0.11 0.83 0.06 0.44 -0.34 0.00 0.00 178.44 179.54 1a04 h ASP 72 N 0.84 0.08 -0.43 1.25 3.32 -0.91 0.73 116.42 121.30 1a04 h ASP 72 Ca 0.19 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1a04 h ASP 72 Cb 0.27 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1a04 h ASP 72 CO -0.01 0.07 -0.06 0.11 -1.72 0.00 0.00 179.24 177.63 1a04 h LYS 73 N 0.13 0.87 0.17 3.56 1.57 -1.23 -1.50 116.57 120.14 1a04 h LYS 73 Ca 0.06 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1a04 h LYS 73 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1a04 h LYS 73 CO -0.05 0.90 -0.08 1.25 -0.57 0.00 0.00 179.45 180.90 1a04 h LEU 74 N 0.79 -0.20 -2.54 2.94 5.85 -0.89 -2.76 115.31 118.51 1a04 h LEU 74 Ca 0.14 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1a04 h LEU 74 Cb 0.56 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1a04 h LEU 74 CO 0.03 -0.04 0.00 -0.09 -0.34 0.00 0.00 178.44 178.00 1a04 h ARG 75 N -0.34 0.00 0.00 1.25 9.65 -0.71 -0.74 114.38 123.49 1a04 h ARG 75 Ca -0.02 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1a04 h ARG 75 Cb 0.26 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1a04 h ARG 75 CO 0.04 0.00 -0.18 0.93 2.80 0.00 0.00 179.97 183.56 1a04 h GLU 76 N 0.00 0.00 -7.25 0.20 5.08 -0.97 -3.45 114.58 108.20 1a04 h GLU 76 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1a04 h GLU 76 Cb 0.01 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.38 1a04 h GLU 76 CO -0.00 0.18 0.35 0.15 -1.00 0.00 0.00 179.01 178.68 1a04 s LYS 77 N -3.78 2.46 -0.58 2.33 -0.14 -0.29 -4.98 119.74 114.77 1a04 s LYS 77 Ca -0.00 1.33 -0.26 0.00 -1.36 0.00 0.00 55.97 55.68 1a04 s LYS 77 Cb 0.11 -1.91 0.04 0.00 -1.68 0.00 0.00 37.83 34.38 1a04 s LYS 77 CO 0.61 -1.51 1.07 0.45 -0.76 0.00 0.00 175.35 175.21 1a04 s SER 78 N -2.89 6.37 0.04 2.83 0.15 -1.26 -5.00 113.70 113.95 1a04 s SER 78 Ca 0.65 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 57.15 1a04 s SER 78 Cb -0.20 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1a04 s SER 78 CO 0.48 -1.38 -0.11 -0.76 1.20 0.00 0.00 173.24 172.68 1a04 s LEU 79 N 4.48 2.20 -0.01 3.45 1.43 -1.26 -4.83 118.68 124.14 1a04 s LEU 79 Ca 0.36 -0.48 0.15 0.00 -1.03 0.00 0.00 54.13 53.12 1a04 s LEU 79 Cb -0.10 -0.40 -0.20 0.00 0.03 0.00 0.00 46.19 45.51 1a04 s LEU 79 CO 0.21 -0.06 0.45 -1.54 0.23 0.00 0.00 176.35 175.64 1a04 n SER 80 N 1.74 1.19 -3.06 2.29 3.41 -1.26 -4.50 113.62 113.42 1a04 n SER 80 Ca -0.20 -0.37 -0.13 0.00 -0.26 0.00 0.00 58.87 57.92 1a04 n SER 80 Cb 0.55 1.38 0.08 0.00 -0.26 0.00 0.00 64.21 65.96 1a04 n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a04 n GLY 81 N 1.52 -0.33 3.90 5.00 0.00 -1.25 -4.93 105.19 109.10 1a04 n GLY 81 Ca -0.00 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 1a04 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a04 s ARG 82 N -4.05 3.61 -0.13 1.61 0.52 0.01 -4.76 118.95 115.76 1a04 s ARG 82 Ca 0.34 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.47 1a04 s ARG 82 Cb -0.01 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.65 1a04 s ARG 82 CO 0.23 0.43 -0.18 0.42 0.02 0.00 0.00 175.30 176.22 1a04 s ILE 83 N -1.74 1.77 -0.10 1.52 1.01 -1.26 -1.15 121.20 121.24 1a04 s ILE 83 Ca 0.41 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1a04 s ILE 83 Cb -0.12 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1a04 s ILE 83 CO 0.26 0.49 -0.15 -0.69 0.00 0.00 0.00 174.94 174.85 1a04 s VAL 84 N 0.93 1.49 0.05 2.92 1.01 -0.45 0.41 120.40 126.77 1a04 s VAL 84 Ca -0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1a04 s VAL 84 Cb -0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1a04 s VAL 84 CO -0.02 0.44 0.25 0.68 0.00 0.00 0.00 175.10 176.45 1a04 s VAL 85 N 0.93 5.33 -0.10 2.92 -7.23 -0.78 -1.05 120.40 120.43 1a04 s VAL 85 Ca -0.08 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 59.94 1a04 s VAL 85 Cb -0.15 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 1a04 s VAL 85 CO -0.01 0.20 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.58 1a04 s PHE 86 N -1.46 3.01 0.00 2.82 0.08 0.12 -0.28 117.98 122.28 1a04 s PHE 86 Ca 0.33 -0.05 -0.23 0.00 0.12 0.00 0.00 56.93 57.10 1a04 s PHE 86 Cb -0.13 -1.81 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1a04 s PHE 86 CO 0.23 0.24 0.51 0.45 -0.10 0.00 0.00 175.22 176.55 1a04 s SER 87 N -0.45 -0.44 0.00 1.36 0.15 -0.67 -1.02 113.70 112.64 1a04 s SER 87 Ca 0.07 0.31 0.25 0.00 0.70 0.00 0.00 55.95 57.28 1a04 s SER 87 Cb -0.12 0.46 0.55 0.00 -1.71 0.00 0.00 66.02 65.20 1a04 s SER 87 CO 0.02 -0.62 1.43 1.33 1.20 0.00 0.00 173.24 176.61 1a04 n VAL 88 N 0.76 0.00 -2.20 4.45 0.24 -1.26 -3.06 118.33 117.26 1a04 n VAL 88 Ca -0.19 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 1a04 n VAL 88 Cb 0.58 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.39 1a04 n VAL 88 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1a04 s SER 89 N -2.68 6.86 0.00 -1.34 0.15 -1.26 -4.90 113.70 110.53 1a04 s SER 89 Ca 0.19 2.28 0.23 0.00 0.70 0.00 0.00 55.95 59.35 1a04 s SER 89 Cb 0.18 -2.58 0.45 0.00 -1.71 0.00 0.00 66.02 62.37 1a04 s SER 89 CO 0.60 -0.64 1.42 0.59 1.20 0.00 0.00 173.24 176.42 1a04 n ASN 90 N 4.06 3.56 -4.66 5.45 4.13 -1.26 -4.92 115.26 121.61 1a04 n ASN 90 Ca 0.11 -2.00 -0.42 0.00 1.68 0.00 0.00 54.58 53.95 1a04 n ASN 90 Cb 0.43 -0.28 -0.03 0.00 -1.54 0.00 0.00 39.78 38.36 1a04 n ASN 90 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1a04 s HIS 91 N -1.44 1.85 0.31 3.10 3.76 -1.26 -4.85 115.29 116.76 1a04 s HIS 91 Ca 0.40 0.04 0.01 0.00 -0.15 0.00 0.00 55.06 55.36 1a04 s HIS 91 Cb 0.23 -4.01 0.55 0.00 1.11 0.00 0.00 32.58 30.47 1a04 s HIS 91 CO 0.32 -4.31 1.94 1.49 -0.85 0.00 0.00 174.74 173.33 1a04 h GLU 92 N 9.67 0.96 0.00 1.40 4.81 -2.03 -1.48 114.58 127.91 1a04 h GLU 92 Ca -0.42 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1a04 h GLU 92 Cb 1.20 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1a04 h GLU 92 CO 0.95 0.64 0.00 1.49 -0.73 0.00 0.00 179.01 181.36 1a04 h GLU 93 N 0.99 0.00 -0.07 1.92 4.57 -2.00 -2.61 114.58 117.38 1a04 h GLU 93 Ca 0.35 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.40 1a04 h GLU 93 Cb 0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1a04 h GLU 93 CO -0.11 0.00 -0.54 -0.44 -1.18 0.00 0.00 179.01 176.73 1a04 h ASP 94 N 0.00 0.22 -0.24 1.04 3.32 -1.65 -0.55 116.42 118.57 1a04 h ASP 94 Ca 0.00 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1a04 h ASP 94 Cb 0.35 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1a04 h ASP 94 CO 0.00 0.72 0.05 0.58 -1.72 0.00 0.00 179.24 178.87 1a04 h VAL 95 N 0.16 1.22 -0.77 -1.35 2.07 -1.55 -1.54 116.25 114.48 1a04 h VAL 95 Ca 0.00 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1a04 h VAL 95 Cb 1.01 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1a04 h VAL 95 CO 0.08 0.23 0.39 0.58 0.02 0.00 0.00 177.57 178.88 1a04 h VAL 96 N 0.21 1.24 -0.58 2.57 2.07 -1.55 -1.76 116.25 118.44 1a04 h VAL 96 Ca 0.07 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 1a04 h VAL 96 Cb 0.31 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1a04 h VAL 96 CO 0.00 0.28 -0.04 0.74 0.02 0.00 0.00 177.57 178.57 1a04 h THR 97 N 1.08 1.27 -0.38 2.57 2.02 -0.97 -0.54 112.91 117.96 1a04 h THR 97 Ca 0.27 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1a04 h THR 97 Cb 0.08 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1a04 h THR 97 CO -0.04 0.43 0.11 0.00 0.37 0.00 0.00 175.52 176.40 1a04 h ALA 98 N 0.99 0.49 -0.32 6.16 0.00 -0.97 -0.14 119.26 125.47 1a04 h ALA 98 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a04 h ALA 98 Cb 0.60 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1a04 h ALA 98 CO 0.04 0.14 0.12 -0.07 0.00 0.00 0.00 179.25 179.48 1a04 h LEU 99 N 0.46 0.44 -1.90 0.00 3.38 -1.26 -1.14 115.31 115.29 1a04 h LEU 99 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1a04 h LEU 99 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a04 h LEU 99 CO -0.00 0.49 -0.09 0.11 0.09 0.00 0.00 178.44 179.04 1a04 h LYS 100 N 0.36 0.00 -0.11 1.13 1.57 -0.85 -2.45 116.57 116.23 1a04 h LYS 100 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1a04 h LYS 100 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1a04 h LYS 100 CO -0.01 0.09 0.00 0.54 -0.57 0.00 0.00 179.45 179.50 1a04 n ARG 101 N -4.27 1.74 0.00 3.15 5.12 -0.09 -4.94 116.66 117.37 1a04 n ARG 101 Ca -0.03 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.80 1a04 n ARG 101 Cb 0.17 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1a04 n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a04 n GLY 102 N 1.16 0.95 3.81 -0.13 0.00 -0.83 -4.68 105.19 105.48 1a04 n GLY 102 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1a04 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a04 s ALA 103 N -2.00 3.47 -0.44 4.61 0.00 -0.51 -4.75 121.76 122.14 1a04 s ALA 103 Ca 0.00 0.13 0.23 0.00 0.00 0.00 0.00 51.96 52.33 1a04 s ALA 103 Cb 0.00 -2.77 0.21 0.00 0.00 0.00 0.00 23.12 20.56 1a04 s ALA 103 CO 0.00 0.35 1.27 -0.44 0.00 0.00 0.00 175.76 176.94 1a04 h ASP 104 N 3.74 0.00 -5.08 0.00 3.32 -0.37 -3.38 116.42 114.65 1a04 h ASP 104 Ca -0.48 -0.08 0.02 0.00 0.02 0.00 0.00 57.03 56.51 1a04 h ASP 104 Cb 1.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 1a04 h ASP 104 CO 0.65 0.04 0.13 -0.83 -1.72 0.00 0.00 179.24 177.51 1a04 s GLY 105 N -4.05 0.16 -0.12 2.75 0.00 -1.06 -4.97 107.32 100.02 1a04 s GLY 105 Ca 0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1a04 s GLY 105 CO 0.74 -0.28 0.28 -0.47 0.00 0.00 0.00 173.10 173.37 1a04 s TYR 106 N -3.80 -0.40 0.05 1.90 6.14 -1.26 -1.86 117.35 118.11 1a04 s TYR 106 Ca 0.15 0.92 0.06 0.00 0.64 0.00 0.00 57.07 58.84 1a04 s TYR 106 Cb -0.04 0.07 -0.02 0.00 0.42 0.00 0.00 41.96 42.38 1a04 s TYR 106 CO 0.08 -0.28 -0.18 -0.51 0.64 0.00 0.00 175.55 175.30 1a04 s LEU 107 N 1.57 2.18 0.54 6.97 1.43 0.61 -4.95 118.68 127.04 1a04 s LEU 107 Ca -0.07 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 1a04 s LEU 107 Cb -0.10 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1a04 s LEU 107 CO -0.09 0.10 0.92 -0.76 0.23 0.00 0.00 176.35 176.75 1a04 s LEU 108 N -1.24 3.47 0.00 1.79 1.43 -1.26 -1.66 118.68 121.21 1a04 s LEU 108 Ca 0.05 1.27 0.29 0.00 -1.03 0.00 0.00 54.13 54.71 1a04 s LEU 108 Cb -0.09 -4.25 1.31 0.00 0.03 0.00 0.00 46.19 43.19 1a04 s LEU 108 CO 0.02 -0.69 1.89 0.29 0.23 0.00 0.00 176.35 178.09 1a04 n LYS 109 N -2.26 1.40 -0.85 1.70 5.02 -1.17 -4.09 118.16 117.90 1a04 n LYS 109 Ca 0.04 -0.63 -0.06 0.00 -2.02 0.00 0.00 58.31 55.65 1a04 n LYS 109 Cb 0.54 -1.49 0.22 0.00 -0.02 0.00 0.00 35.03 34.29 1a04 n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1a04 n ASP 110 N -0.25 3.36 -4.79 4.39 5.75 -1.26 -5.04 116.55 118.70 1a04 n ASP 110 Ca 0.20 -3.51 -0.34 0.00 -0.01 0.00 0.00 54.79 51.13 1a04 n ASP 110 Cb 0.28 -0.67 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1a04 n ASP 110 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1a04 s MET 111 N -3.14 3.67 0.38 0.11 -1.94 -1.26 -5.00 119.30 112.12 1a04 s MET 111 Ca 0.48 1.42 -0.27 0.00 -1.71 0.00 0.00 55.69 55.61 1a04 s MET 111 Cb 0.41 -2.07 -0.09 0.00 2.01 0.00 0.00 34.83 35.09 1a04 s MET 111 CO 0.06 -0.55 1.26 -1.21 -0.01 0.00 0.00 175.02 174.57 1a04 s GLU 112 N -3.28 4.11 0.28 2.03 0.41 -1.26 -4.77 118.70 116.21 1a04 s GLU 112 Ca 0.68 2.08 0.01 0.00 -0.41 0.00 0.00 54.97 57.33 1a04 s GLU 112 Cb -0.18 -2.83 0.67 0.00 -1.78 0.00 0.00 34.13 30.01 1a04 s GLU 112 CO 0.22 -0.35 1.64 -1.35 -0.49 0.00 0.00 175.26 174.94 1a04 h PRO 113 N 2.89 0.18 -0.19 0.39 0.11 -1.99 0.35 132.00 133.74 1a04 h PRO 113 Ca -0.49 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1a04 h PRO 113 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1a04 h PRO 113 CO 0.63 0.12 -0.45 0.93 -0.21 0.00 0.00 178.00 179.02 1a04 h GLU 114 N 0.18 0.48 -0.18 1.05 5.08 -1.99 -1.35 114.58 117.85 1a04 h GLU 114 Ca 0.53 -0.26 -0.18 0.00 -1.00 0.00 0.00 59.36 58.45 1a04 h GLU 114 Cb 1.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1a04 h GLU 114 CO -0.67 0.84 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.11 1a04 h ASP 115 N 0.39 0.75 -0.14 1.42 3.32 -1.62 -2.55 116.42 117.99 1a04 h ASP 115 Ca 0.03 -0.44 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 1a04 h ASP 115 Cb 0.95 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1a04 h ASP 115 CO 0.08 1.19 -0.38 0.25 -1.72 0.00 0.00 179.24 178.67 1a04 h LEU 116 N 0.48 0.70 -0.48 1.55 5.85 -0.86 -2.25 115.31 120.30 1a04 h LEU 116 Ca -0.01 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 1a04 h LEU 116 Cb 1.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1a04 h LEU 116 CO 0.12 1.00 0.07 0.25 -0.34 0.00 0.00 178.44 179.55 1a04 h LEU 117 N 0.55 0.77 -0.66 2.25 5.85 -1.21 0.02 115.31 122.89 1a04 h LEU 117 Ca 0.05 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1a04 h LEU 117 Cb 0.90 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1a04 h LEU 117 CO 0.08 0.84 0.33 0.11 -0.34 0.00 0.00 178.44 179.46 1a04 h LYS 118 N 0.68 0.94 -0.53 1.25 1.57 -1.39 -0.53 116.57 118.55 1a04 h LYS 118 Ca 0.15 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1a04 h LYS 118 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1a04 h LYS 118 CO 0.01 0.73 0.06 0.00 -0.57 0.00 0.00 179.45 179.68 1a04 h ALA 119 N 1.16 0.71 -0.19 3.86 0.00 -1.12 -1.65 119.26 122.03 1a04 h ALA 119 Ca 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1a04 h ALA 119 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a04 h ALA 119 CO -0.03 0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 179.62 1a04 h LEU 120 N 0.78 0.33 -0.76 0.00 4.07 -0.74 -0.62 115.31 118.38 1a04 h LEU 120 Ca 0.16 -0.32 -0.05 0.00 0.08 0.00 0.00 57.88 57.76 1a04 h LEU 120 Cb 0.44 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1a04 h LEU 120 CO 0.02 0.57 0.29 -0.74 -1.08 0.00 0.00 178.44 177.49 1a04 h HIS 121 N 0.09 1.17 -0.31 1.13 2.76 -1.11 -0.37 115.15 118.51 1a04 h HIS 121 Ca 0.05 -0.10 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 1a04 h HIS 121 Cb 0.40 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1a04 h HIS 121 CO 0.04 0.90 0.01 0.37 -1.30 0.00 0.00 177.93 177.95 1a04 h GLN 122 N 1.11 0.55 -0.70 5.26 4.15 -1.20 0.24 115.11 124.51 1a04 h GLN 122 Ca 0.25 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 1a04 h GLN 122 Cb 0.24 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1a04 h GLN 122 CO -0.02 0.67 0.20 0.00 -1.93 0.00 0.00 178.83 177.75 1a04 h ALA 123 N 0.85 1.01 0.04 3.38 0.00 -0.86 0.25 119.26 123.93 1a04 h ALA 123 Ca 0.09 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 1a04 h ALA 123 Cb 0.42 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1a04 h ALA 123 CO 0.01 0.65 -1.58 0.00 0.00 0.00 0.00 179.25 178.33 1a04 h ALA 124 N 1.15 0.54 0.00 0.00 0.00 -1.05 -3.44 119.26 116.47 1a04 h ALA 124 Ca 0.23 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1a04 h ALA 124 Cb 0.33 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1a04 h ALA 124 CO -0.00 1.39 0.00 0.00 0.00 0.00 0.00 179.25 180.64 1a04 n ALA 125 N -2.60 0.83 -3.83 0.00 0.00 0.78 -4.80 120.51 110.89 1a04 n ALA 125 Ca -0.16 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 1a04 n ALA 125 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.48 1a04 n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a04 n GLY 126 N 0.13 2.82 3.79 0.00 0.00 0.07 -4.81 105.19 107.20 1a04 n GLY 126 Ca 0.00 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1a04 n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a04 s GLU 127 N -3.81 4.37 -0.17 1.61 2.02 -1.26 -4.01 118.70 117.45 1a04 s GLU 127 Ca 0.25 1.33 -0.04 0.00 0.02 0.00 0.00 54.97 56.52 1a04 s GLU 127 Cb -0.02 -2.57 0.08 0.00 0.10 0.00 0.00 34.13 31.72 1a04 s GLU 127 CO 0.16 0.08 0.26 1.41 0.02 0.00 0.00 175.26 177.19 1a04 s MET 128 N -2.46 0.19 0.04 1.61 1.75 0.45 -4.91 119.30 115.97 1a04 s MET 128 Ca 0.55 0.50 0.08 0.00 -1.25 0.00 0.00 55.69 55.58 1a04 s MET 128 Cb -0.17 -0.56 -0.03 0.00 2.84 0.00 0.00 34.83 36.91 1a04 s MET 128 CO 0.22 -0.48 -0.23 0.14 -0.65 0.00 0.00 175.02 174.02 1a04 s VAL 129 N 2.40 1.84 0.34 10.11 -7.23 -1.26 -4.31 120.40 122.29 1a04 s VAL 129 Ca 0.05 -1.23 -0.27 0.00 -1.81 0.00 0.00 61.98 58.72 1a04 s VAL 129 Cb -0.14 -1.58 -0.09 0.00 0.56 0.00 0.00 36.38 35.13 1a04 s VAL 129 CO -0.11 0.30 1.18 -0.22 -0.31 0.00 0.00 175.10 175.94 1a04 s LEU 130 N -1.10 4.36 0.66 1.32 2.96 -1.26 -4.99 118.68 120.63 1a04 s LEU 130 Ca 0.09 2.40 -0.18 0.00 -0.22 0.00 0.00 54.13 56.22 1a04 s LEU 130 Cb -0.09 -3.81 -0.01 0.00 0.50 0.00 0.00 46.19 42.78 1a04 s LEU 130 CO 0.01 -0.46 1.19 -1.54 -1.32 0.00 0.00 176.35 174.23 1a04 n SER 131 N 0.60 1.58 0.25 3.68 3.41 -1.26 -4.80 113.62 117.07 1a04 n SER 131 Ca 0.01 0.79 0.07 0.00 -0.26 0.00 0.00 58.87 59.49 1a04 n SER 131 Cb 0.45 -1.50 0.59 0.00 -0.26 0.00 0.00 64.21 63.48 1a04 n SER 131 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1a04 h GLU 132 N 0.35 0.00 -0.17 4.33 4.39 -2.00 -1.45 114.58 120.03 1a04 h GLU 132 Ca -0.50 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 1a04 h GLU 132 Cb 1.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 1a04 h GLU 132 CO 0.51 0.08 0.09 0.00 -1.16 0.00 0.00 179.01 178.53 1a04 h ALA 133 N 1.92 0.22 0.00 3.43 0.00 -2.03 -3.13 119.26 119.68 1a04 h ALA 133 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a04 h ALA 133 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a04 h ALA 133 CO 0.01 -0.23 -0.54 1.28 0.00 0.00 0.00 179.25 179.77 1a04 n LEU 134 N -4.90 0.70 0.13 0.00 7.99 -1.05 -4.39 117.00 115.47 1a04 n LEU 134 Ca -0.04 0.26 -0.14 0.00 -0.01 0.00 0.00 56.01 56.08 1a04 n LEU 134 Cb 0.08 -0.20 -0.07 0.00 -0.11 0.00 0.00 43.42 43.12 1a04 n LEU 134 CO 0.34 -0.06 0.60 0.74 -1.51 0.00 0.00 177.39 177.51 1a04 h THR 135 N 0.00 0.20 -0.62 -5.08 2.02 -1.20 -1.97 112.91 106.26 1a04 h THR 135 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1a04 h THR 135 Cb 0.73 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1a04 h THR 135 CO 0.00 0.00 0.43 1.55 0.37 0.00 0.00 175.52 177.87 1a04 h PRO 136 N -0.64 0.11 -0.19 6.66 0.13 -1.77 -1.33 132.00 134.97 1a04 h PRO 136 Ca 0.02 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.08 1a04 h PRO 136 Cb 0.66 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1a04 h PRO 136 CO -0.21 0.08 -0.12 0.28 -0.23 0.00 0.00 178.00 177.79 1a04 h VAL 137 N 0.12 1.32 -0.02 1.56 2.07 -1.62 -2.40 116.25 117.28 1a04 h VAL 137 Ca 0.30 -1.21 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 1a04 h VAL 137 Cb 1.01 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1a04 h VAL 137 CO -0.04 0.37 -0.76 -0.07 0.02 0.00 0.00 177.57 177.09 1a04 h LEU 138 N 0.10 0.19 -0.11 2.57 3.38 -0.87 -3.00 115.31 117.57 1a04 h LEU 138 Ca 0.04 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1a04 h LEU 138 Cb 0.62 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1a04 h LEU 138 CO 0.03 0.88 -0.13 0.00 0.09 0.00 0.00 178.44 179.31 1a04 h ALA 139 N 1.11 -0.05 -0.99 1.53 0.00 -1.21 -1.80 119.26 117.85 1a04 h ALA 139 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1a04 h ALA 139 Cb 1.33 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 1a04 h ALA 139 CO 0.11 -0.58 0.65 0.00 0.00 0.00 0.00 179.25 179.43 1a04 h ALA 140 N 0.90 1.36 -0.40 0.00 0.00 -1.42 -1.68 119.26 118.02 1a04 h ALA 140 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a04 h ALA 140 Cb 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1a04 h ALA 140 CO -0.21 0.55 0.26 1.03 0.00 0.00 0.00 179.25 180.88 1a04 h SER 141 N 1.25 0.46 -3.43 0.00 0.87 -1.22 -3.52 113.55 107.96 1a04 h SER 141 Ca 0.39 -0.01 -0.41 0.00 -1.23 0.00 0.00 61.79 60.53 1a04 h SER 141 Cb -0.00 -0.11 0.20 0.00 -0.44 0.00 0.00 62.40 62.04 1a04 h SER 141 CO -0.12 0.33 0.09 -0.76 -0.53 0.00 0.00 176.83 175.84 1a04 s LEU 142 N -9.48 0.41 0.00 2.23 1.43 -0.64 -5.11 118.68 107.52 1a04 s LEU 142 Ca -0.08 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1a04 s LEU 142 Cb 0.17 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1a04 s LEU 142 CO 0.73 -4.31 0.00 1.21 0.23 0.00 0.00 176.35 174.21 1a04 n GLU 150 N -4.90 0.00 -2.33 1.70 2.13 -1.26 -4.99 120.64 110.98 1a04 n GLU 150 Ca 0.12 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.51 1a04 n GLU 150 Cb 0.59 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.28 1a04 n GLU 150 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1a04 s ARG 151 N 0.00 3.67 -1.13 5.31 0.52 -1.26 -4.97 118.95 121.09 1a04 s ARG 151 Ca 0.00 1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 56.14 1a04 s ARG 151 Cb 0.00 -4.00 0.13 0.00 0.52 0.00 0.00 34.95 31.60 1a04 s ARG 151 CO 0.00 -1.45 1.41 0.34 0.02 0.00 0.00 175.30 175.62 1a04 s ASP 152 N 3.78 6.86 0.53 0.23 2.15 -1.26 -4.85 116.67 124.10 1a04 s ASP 152 Ca 0.62 -2.49 0.22 0.00 0.43 0.00 0.00 52.55 51.33 1a04 s ASP 152 Cb -0.16 -2.45 1.44 0.00 -0.30 0.00 0.00 42.92 41.45 1a04 s ASP 152 CO 0.30 -0.98 2.15 0.58 -0.17 0.00 0.00 175.17 177.05 1a04 h VAL 153 N 5.35 0.81 0.00 1.11 2.07 -1.94 -2.22 116.25 121.42 1a04 h VAL 153 Ca 0.29 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1a04 h VAL 153 Cb 0.93 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1a04 h VAL 153 CO 1.26 0.05 0.00 0.59 0.02 0.00 0.00 177.57 179.49 1a04 n ASN 154 N -4.15 0.08 -0.16 0.57 5.03 -1.26 -2.06 115.26 113.29 1a04 n ASN 154 Ca -0.03 0.52 0.15 0.00 0.87 0.00 0.00 54.58 56.09 1a04 n ASN 154 Cb 0.13 -0.53 0.77 0.00 -1.02 0.00 0.00 39.78 39.13 1a04 n ASN 154 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a04 n GLN 155 N -1.58 1.15 -3.25 3.52 10.64 -0.84 -4.83 117.38 122.19 1a04 n GLN 155 Ca 0.04 -0.33 -0.36 0.00 -1.83 0.00 0.00 57.00 54.51 1a04 n GLN 155 Cb 0.20 -1.49 -0.06 0.00 -0.86 0.00 0.00 30.24 28.03 1a04 n GLN 155 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1a04 s LEU 156 N -2.07 4.39 0.65 2.61 1.43 -0.88 -5.08 118.68 119.73 1a04 s LEU 156 Ca 0.42 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 1a04 s LEU 156 Cb 0.21 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1a04 s LEU 156 CO 0.37 0.12 1.04 0.42 0.23 0.00 0.00 176.35 178.54 1a04 s THR 157 N -1.40 4.27 0.25 5.49 -4.23 -1.26 -4.84 115.64 113.92 1a04 s THR 157 Ca 0.37 0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 61.54 1a04 s THR 157 Cb -0.17 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.17 1a04 s THR 157 CO 0.20 -0.94 1.72 -0.65 -0.54 0.00 0.00 174.62 174.41 1a04 h PRO 158 N -0.42 0.40 -0.73 3.99 0.11 -1.99 -0.72 132.00 132.64 1a04 h PRO 158 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1a04 h PRO 158 Cb 1.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1a04 h PRO 158 CO 0.63 0.26 0.21 -0.09 -0.21 0.00 0.00 178.00 178.80 1a04 h ARG 159 N 0.41 1.15 -0.21 1.05 9.65 -1.99 -0.96 114.38 123.49 1a04 h ARG 159 Ca 0.42 -0.26 -0.07 0.00 -1.10 0.00 0.00 59.98 58.97 1a04 h ARG 159 Cb 0.65 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1a04 h ARG 159 CO -0.42 0.99 -0.17 0.93 2.80 0.00 0.00 179.97 184.10 1a04 h GLU 160 N 1.10 0.35 -0.27 0.20 5.08 -1.57 -0.29 114.58 119.18 1a04 h GLU 160 Ca 0.23 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1a04 h GLU 160 Cb 0.33 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1a04 h GLU 160 CO -0.00 0.52 -0.31 0.00 -1.00 0.00 0.00 179.01 178.22 1a04 h ARG 161 N 0.32 0.68 -0.70 2.33 3.08 -0.72 0.02 114.38 119.39 1a04 h ARG 161 Ca 0.06 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1a04 h ARG 161 Cb 0.49 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1a04 h ARG 161 CO 0.03 0.99 0.29 -0.44 -1.07 0.00 0.00 179.97 179.77 1a04 h ASP 162 N 0.41 0.93 -0.09 7.04 3.32 -0.88 -0.07 116.42 127.07 1a04 h ASP 162 Ca 0.04 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1a04 h ASP 162 Cb 0.88 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1a04 h ASP 162 CO 0.07 0.82 -0.00 0.40 -1.72 0.00 0.00 179.24 178.81 1a04 h ILE 163 N 1.00 1.26 -0.50 0.35 1.08 -0.94 -2.77 117.51 116.98 1a04 h ILE 163 Ca 0.24 -0.82 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 1a04 h ILE 163 Cb 0.17 1.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1a04 h ILE 163 CO -0.02 0.23 0.28 0.25 -0.69 0.00 0.00 178.15 178.20 1a04 h LEU 164 N -0.12 0.44 -0.53 1.44 5.85 -0.68 -0.29 115.31 121.42 1a04 h LEU 164 Ca 0.03 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1a04 h LEU 164 Cb 0.36 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1a04 h LEU 164 CO 0.01 0.31 0.28 0.50 -0.34 0.00 0.00 178.44 179.19 1a04 h LYS 165 N 0.56 0.52 -0.04 1.25 3.64 -1.00 -0.66 116.57 120.84 1a04 h LYS 165 Ca 0.21 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 1a04 h LYS 165 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1a04 h LYS 165 CO -0.11 0.34 -0.73 -0.07 -2.27 0.00 0.00 179.45 176.61 1a04 h LEU 166 N 0.54 0.31 -0.61 5.20 3.38 -1.18 -2.83 115.31 120.12 1a04 h LEU 166 Ca 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a04 h LEU 166 Cb 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1a04 h LEU 166 CO -0.16 0.94 0.25 0.40 0.09 0.00 0.00 178.44 179.96 1a04 h ILE 167 N 0.18 1.23 0.00 1.22 1.08 -0.79 -2.28 117.51 118.14 1a04 h ILE 167 Ca -0.03 -0.70 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 1a04 h ILE 167 Cb 1.29 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1a04 h ILE 167 CO 0.12 0.28 -0.03 0.00 -0.69 0.00 0.00 178.15 177.82 1a04 h ALA 168 N 1.10 1.09 -0.00 1.87 0.00 -1.00 -0.72 119.26 121.60 1a04 h ALA 168 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1a04 h ALA 168 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a04 h ALA 168 CO -0.02 0.04 -0.04 1.04 0.00 0.00 0.00 179.25 180.28 1a04 n GLN 169 N -3.25 0.61 -1.12 0.00 6.02 -0.87 -4.66 117.38 114.11 1a04 n GLN 169 Ca -0.02 -0.09 -0.02 0.00 -0.01 0.00 0.00 57.00 56.87 1a04 n GLN 169 Cb 0.19 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 1a04 n GLN 169 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a04 n GLY 170 N 1.24 0.49 3.77 1.08 0.00 -0.28 -4.79 105.19 106.71 1a04 n GLY 170 Ca 0.16 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1a04 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a04 s LEU 171 N -0.37 4.38 0.64 0.99 1.43 -1.14 -0.41 118.68 124.20 1a04 s LEU 171 Ca 0.00 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1a04 s LEU 171 Cb 0.00 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1a04 s LEU 171 CO 0.00 -0.10 1.04 -2.16 0.23 0.00 0.00 176.35 175.36 1a04 s PRO 172 N -1.93 3.35 0.37 1.29 0.04 -1.26 -4.77 135.00 132.09 1a04 s PRO 172 Ca 0.49 0.86 0.13 0.00 0.04 0.00 0.00 61.00 62.52 1a04 s PRO 172 Cb -0.21 -2.05 0.94 0.00 0.04 0.00 0.00 34.50 33.22 1a04 s PRO 172 CO 0.27 -0.77 1.82 -0.91 0.04 0.00 0.00 177.00 177.45 1a04 h ASN 173 N -0.38 0.57 -0.65 6.66 2.35 -1.93 -1.71 115.58 120.49 1a04 h ASN 173 Ca -0.44 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 1a04 h ASN 173 Cb 1.20 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 1a04 h ASN 173 CO 0.60 0.21 0.11 0.11 -1.65 0.00 0.00 177.43 176.81 1a04 h LYS 174 N 0.56 1.07 -0.41 0.81 1.57 -1.94 -0.29 116.57 117.94 1a04 h LYS 174 Ca 0.52 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.88 1a04 h LYS 174 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1a04 h LYS 174 CO -0.26 0.99 -0.27 1.98 -0.57 0.00 0.00 179.45 181.31 1a04 h MET 175 N 0.98 0.86 -0.17 3.15 4.05 -1.71 -2.30 114.93 119.80 1a04 h MET 175 Ca 0.20 -0.39 -0.04 0.00 -0.28 0.00 0.00 59.70 59.19 1a04 h MET 175 Cb 0.43 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1a04 h MET 175 CO 0.01 1.03 -0.07 0.82 0.23 0.00 0.00 176.91 178.93 1a04 h ILE 176 N 0.74 1.30 -0.69 1.77 2.04 -1.23 -2.05 117.51 119.39 1a04 h ILE 176 Ca 0.09 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 64.96 1a04 h ILE 176 Cb 0.82 1.67 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 1a04 h ILE 176 CO 0.07 0.32 0.31 0.00 0.00 0.00 0.00 178.15 178.86 1a04 h ALA 177 N 0.69 0.94 -0.19 1.87 0.00 -1.00 -1.47 119.26 120.10 1a04 h ALA 177 Ca 0.04 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1a04 h ALA 177 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a04 h ALA 177 CO 0.02 -0.11 -0.06 -0.09 0.00 0.00 0.00 179.25 179.02 1a04 h ARG 178 N 0.53 0.38 -0.38 0.00 2.43 -1.35 0.50 114.38 116.49 1a04 h ARG 178 Ca 0.35 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1a04 h ARG 178 Cb 0.41 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1a04 h ARG 178 CO -0.30 0.65 0.10 0.00 -1.51 0.00 0.00 179.97 178.91 1a04 h ARG 179 N 0.08 0.55 -0.03 0.20 2.47 -1.03 -2.45 114.38 114.17 1a04 h ARG 179 Ca 0.05 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1a04 h ARG 179 Cb 0.51 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1a04 h ARG 179 CO 0.02 0.50 -0.05 1.28 0.56 0.00 0.00 179.97 182.28 1a04 n LEU 180 N -4.34 2.71 -3.58 3.04 4.77 -0.58 -4.99 117.00 114.02 1a04 n LEU 180 Ca 0.02 -0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 54.86 1a04 n LEU 180 Cb 0.18 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1a04 n LEU 180 CO 0.38 0.46 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.18 1a04 n ASP 181 N 1.06 -3.99 -4.08 -1.43 2.03 -0.02 -5.02 116.55 105.11 1a04 n ASP 181 Ca 0.14 -0.86 -0.09 0.00 0.52 0.00 0.00 54.79 54.50 1a04 n ASP 181 Cb 0.56 -4.11 -0.09 0.00 -0.72 0.00 0.00 41.12 36.75 1a04 n ASP 181 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a04 s ILE 182 N -3.53 0.15 0.69 5.18 -4.36 -0.14 -5.04 121.20 114.15 1a04 s ILE 182 Ca 0.28 -1.74 -0.11 0.00 -0.26 0.00 0.00 60.65 58.82 1a04 s ILE 182 Cb -0.08 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.88 1a04 s ILE 182 CO 0.81 -0.66 1.06 0.42 0.24 0.00 0.00 174.94 176.81 1a04 s THR 183 N -3.97 3.99 0.34 8.37 -4.23 -1.26 -4.35 115.64 114.53 1a04 s THR 183 Ca 0.15 0.65 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1a04 s THR 183 Cb 0.07 -3.53 0.19 0.00 1.34 0.00 0.00 72.50 70.57 1a04 s THR 183 CO -0.04 -0.85 1.91 -0.33 -0.54 0.00 0.00 174.62 174.78 1a04 h GLU 184 N -0.63 0.59 -0.49 3.99 5.08 -1.93 -1.64 114.58 119.56 1a04 h GLU 184 Ca -0.45 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 57.90 1a04 h GLU 184 Cb 1.22 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 1a04 h GLU 184 CO 0.60 0.54 0.10 0.77 -1.00 0.00 0.00 179.01 180.02 1a04 h SER 185 N 0.58 0.00 -0.59 1.42 0.02 -1.97 0.19 113.55 113.21 1a04 h SER 185 Ca 0.13 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1a04 h SER 185 Cb 0.22 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1a04 h SER 185 CO -0.00 0.03 0.01 0.74 -1.14 0.00 0.00 176.83 176.47 1a04 h THR 186 N 0.23 1.26 -0.27 -2.27 2.02 -1.82 -2.26 112.91 109.80 1a04 h THR 186 Ca 0.24 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1a04 h THR 186 Cb 0.32 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1a04 h THR 186 CO -0.32 0.41 0.10 0.58 0.37 0.00 0.00 175.52 176.66 1a04 h VAL 187 N 0.92 0.94 -0.59 3.16 2.07 -0.27 -1.87 116.25 120.61 1a04 h VAL 187 Ca 0.17 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1a04 h VAL 187 Cb 0.54 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1a04 h VAL 187 CO 0.03 0.04 0.33 0.11 0.02 0.00 0.00 177.57 178.10 1a04 h LYS 188 N 0.23 0.60 -0.51 1.57 1.57 -0.45 -0.70 116.57 118.89 1a04 h LYS 188 Ca 0.12 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1a04 h LYS 188 Cb 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1a04 h LYS 188 CO -0.11 0.40 0.33 0.28 -0.57 0.00 0.00 179.45 179.77 1a04 h VAL 189 N 0.62 1.10 -0.51 0.50 2.07 -1.11 -2.04 116.25 116.89 1a04 h VAL 189 Ca 0.26 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 1a04 h VAL 189 Cb 0.14 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1a04 h VAL 189 CO -0.16 0.12 -0.13 0.45 0.02 0.00 0.00 177.57 177.87 1a04 h HIS 190 N 0.66 1.11 -0.48 1.57 3.86 -0.92 -2.59 115.15 118.36 1a04 h HIS 190 Ca 0.19 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1a04 h HIS 190 Cb -0.05 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 1a04 h HIS 190 CO -0.05 1.05 0.29 0.28 0.86 0.00 0.00 177.93 180.36 1a04 h VAL 191 N 0.84 1.15 -0.20 2.45 2.07 -0.94 0.12 116.25 121.75 1a04 h VAL 191 Ca 0.13 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1a04 h VAL 191 Cb 0.70 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1a04 h VAL 191 CO 0.05 0.16 0.07 0.11 0.02 0.00 0.00 177.57 177.98 1a04 h LYS 192 N 0.64 0.30 -0.03 1.57 1.57 -1.37 -1.62 116.57 117.64 1a04 h LYS 192 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1a04 h LYS 192 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1a04 h LYS 192 CO -0.03 0.40 0.02 0.45 -0.57 0.00 0.00 179.45 179.71 1a04 h HIS 193 N 0.15 0.04 -0.33 -1.35 3.86 -1.31 -2.19 115.15 114.01 1a04 h HIS 193 Ca 0.06 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1a04 h HIS 193 Cb 0.22 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1a04 h HIS 193 CO -0.00 0.03 0.19 1.98 0.86 0.00 0.00 177.93 180.98 1a04 h MET 194 N 0.04 0.38 -0.82 2.45 1.85 -0.71 -1.69 114.93 116.42 1a04 h MET 194 Ca 0.01 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.04 1a04 h MET 194 Cb -0.00 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 31.91 1a04 h MET 194 CO -0.00 0.25 0.36 -0.07 -0.40 0.00 0.00 176.91 177.05 1a04 h LEU 195 N 0.39 1.11 -0.43 3.39 3.38 -1.20 -0.50 115.31 121.44 1a04 h LEU 195 Ca 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a04 h LEU 195 Cb 0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1a04 h LEU 195 CO -0.07 0.95 0.23 0.50 0.09 0.00 0.00 178.44 180.14 1a04 h LYS 196 N 1.18 0.61 -0.27 1.13 3.64 -1.25 0.82 116.57 122.44 1a04 h LYS 196 Ca 0.28 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1a04 h LYS 196 Cb 0.17 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1a04 h LYS 196 CO -0.03 0.51 -0.23 0.87 -2.27 0.00 0.00 179.45 178.30 1a04 h LYS 197 N 0.56 0.63 -0.00 1.90 1.57 -1.01 -3.16 116.57 117.06 1a04 h LYS 197 Ca 0.15 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1a04 h LYS 197 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1a04 h LYS 197 CO -0.02 0.91 -0.00 -1.33 -0.57 0.00 0.00 179.45 178.44 1a04 n MET 198 N -4.35 0.30 -3.72 3.15 2.81 -0.22 -4.73 117.12 110.36 1a04 n MET 198 Ca -0.04 -0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.59 1a04 n MET 198 Cb 0.43 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.50 1a04 n MET 198 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a04 n LYS 199 N -1.35 -6.92 -3.80 0.03 4.01 0.20 -4.74 118.16 105.60 1a04 n LYS 199 Ca 0.12 0.73 -0.35 0.00 -0.51 0.00 0.00 58.31 58.30 1a04 n LYS 199 Cb 0.27 -5.72 -0.09 0.00 -0.51 0.00 0.00 35.03 28.98 1a04 n LYS 199 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1a04 s LEU 200 N -7.26 4.00 0.40 -0.35 1.43 -0.71 -5.00 118.68 111.18 1a04 s LEU 200 Ca 0.59 0.12 0.17 0.00 -1.03 0.00 0.00 54.13 53.97 1a04 s LEU 200 Cb -0.27 -2.04 0.84 0.00 0.03 0.00 0.00 46.19 44.74 1a04 s LEU 200 CO 0.77 0.13 1.84 0.11 0.23 0.00 0.00 176.35 179.43 1a04 h LYS 201 N 7.04 0.00 -3.41 1.70 1.57 -1.94 -3.42 116.57 118.11 1a04 h LYS 201 Ca -0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1a04 h LYS 201 Cb 1.16 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 1a04 h LYS 201 CO 0.70 0.33 0.05 -1.54 -0.57 0.00 0.00 179.45 178.42 1a04 s SER 202 N -6.66 0.02 0.28 0.86 1.04 -1.26 -4.92 113.70 103.07 1a04 s SER 202 Ca -0.02 -0.96 -0.01 0.00 0.48 0.00 0.00 55.95 55.43 1a04 s SER 202 Cb 0.13 0.69 0.39 0.00 0.10 0.00 0.00 66.02 67.33 1a04 s SER 202 CO 0.69 -1.33 1.82 0.03 0.98 0.00 0.00 173.24 175.43 1a04 h ARG 203 N 2.11 0.84 -0.22 4.02 3.08 -1.91 -1.28 114.38 121.02 1a04 h ARG 203 Ca -0.26 -0.17 -0.15 0.00 0.07 0.00 0.00 59.98 59.47 1a04 h ARG 203 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1a04 h ARG 203 CO 0.33 0.75 -0.48 -0.24 -1.07 0.00 0.00 179.97 179.27 1a04 h VAL 204 N 0.81 1.31 -0.28 2.04 3.04 -1.92 -1.79 116.25 119.46 1a04 h VAL 204 Ca 0.18 -1.69 -0.06 0.00 -1.01 0.00 0.00 66.70 64.12 1a04 h VAL 204 Cb 0.29 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 1a04 h VAL 204 CO -0.00 0.53 -0.09 -0.08 -1.01 0.00 0.00 177.57 176.92 1a04 h GLU 205 N 0.47 0.46 -0.27 4.17 4.81 -1.82 -1.72 114.58 120.68 1a04 h GLU 205 Ca 0.02 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 1a04 h GLU 205 Cb 1.01 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1a04 h GLU 205 CO 0.09 0.56 -0.48 0.00 -0.73 0.00 0.00 179.01 178.45 1a04 h ALA 206 N 1.48 0.65 -0.31 2.92 0.00 -0.90 -1.34 119.26 121.76 1a04 h ALA 206 Ca 0.09 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1a04 h ALA 206 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1a04 h ALA 206 CO 0.02 0.68 -0.27 0.00 0.00 0.00 0.00 179.25 179.67 1a04 h ALA 207 N 0.89 0.95 -0.11 0.00 0.00 -0.82 -1.94 119.26 118.22 1a04 h ALA 207 Ca 0.03 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1a04 h ALA 207 Cb 1.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1a04 h ALA 207 CO 0.10 0.61 -0.39 0.28 0.00 0.00 0.00 179.25 179.85 1a04 h VAL 208 N 0.54 1.38 0.28 0.00 2.07 -1.24 -2.51 116.25 116.76 1a04 h VAL 208 Ca 0.07 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1a04 h VAL 208 Cb 0.75 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1a04 h VAL 208 CO 0.06 0.51 -0.28 -0.25 0.02 0.00 0.00 177.57 177.63 1a04 h TRP 209 N 0.04 -0.74 -0.90 1.57 7.01 -1.21 -0.86 115.95 120.87 1a04 h TRP 209 Ca -0.02 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.12 1a04 h TRP 209 Cb 1.02 0.29 -0.07 0.00 -2.10 0.00 0.00 29.16 28.29 1a04 h TRP 209 CO 0.11 -0.40 0.58 0.28 -2.79 0.00 0.00 178.44 176.22 1a04 h VAL 210 N -0.59 0.85 -0.23 2.65 2.07 -1.42 -1.42 116.25 118.17 1a04 h VAL 210 Ca -0.01 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1a04 h VAL 210 Cb 0.54 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1a04 h VAL 210 CO -0.06 0.13 -0.08 -0.74 0.02 0.00 0.00 177.57 176.85 1a04 h HIS 211 N 0.74 0.52 -0.11 1.57 -0.00 -0.93 0.26 115.15 117.20 1a04 h HIS 211 Ca 0.45 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1a04 h HIS 211 Cb 0.67 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1a04 h HIS 211 CO -0.00 0.71 0.02 1.96 -0.00 0.00 0.00 177.93 180.63 1a04 h GLN 212 N 0.18 0.18 0.00 5.26 1.08 -0.65 -3.17 115.11 117.98 1a04 h GLN 212 Ca 0.05 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1a04 h GLN 212 Cb 0.56 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1a04 h GLN 212 CO 0.03 0.36 -0.33 0.93 -0.95 0.00 0.00 178.83 178.86 1a04 h GLU 213 N -0.03 0.00 -4.45 1.46 4.39 -1.33 -3.47 114.58 111.15 1a04 h GLU 213 Ca 0.03 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.36 1a04 h GLU 213 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1a04 h GLU 213 CO 0.00 0.33 -0.54 0.54 -1.16 0.00 0.00 179.01 178.18 1a04 n ARG 214 N -3.33 -3.68 -0.26 2.33 1.74 0.91 -4.78 116.66 109.59 1a04 n ARG 214 Ca 0.01 0.76 0.33 0.00 -0.77 0.00 0.00 57.85 58.18 1a04 n ARG 214 Cb 0.56 -5.52 0.74 0.00 -1.02 0.00 0.00 32.46 27.22 1a04 n ARG 214 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1a04 h ILE 215 N -0.89 0.42 -0.02 0.55 3.07 -1.87 -3.50 117.51 115.27 1a04 h ILE 215 Ca -0.46 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1a04 h ILE 215 Cb 1.32 0.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 1a04 h ILE 215 CO 0.53 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.12