#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aa9 s THR 2 N 0.00 3.11 -0.14 2.03 2.01 -1.26 -4.79 115.64 116.60 1aa9 s THR 2 Ca 0.00 -1.86 -0.06 0.00 0.31 0.00 0.00 61.69 60.08 1aa9 s THR 2 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1aa9 s THR 2 CO 0.00 -0.27 0.08 -0.70 -0.69 0.00 0.00 174.62 173.04 1aa9 s GLU 3 N -3.74 3.57 -0.67 4.92 2.12 -1.23 0.15 118.70 123.83 1aa9 s GLU 3 Ca 0.34 -0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.45 1aa9 s GLU 3 Cb -0.04 -3.12 0.20 0.00 0.26 0.00 0.00 34.13 31.43 1aa9 s GLU 3 CO 0.21 0.55 0.57 0.66 -0.54 0.00 0.00 175.26 176.71 1aa9 n TYR 4 N 2.66 3.14 -1.52 5.30 4.02 0.17 -4.94 117.16 125.99 1aa9 n TYR 4 Ca -0.18 -4.21 -0.25 0.00 -0.01 0.00 0.00 57.90 53.26 1aa9 n TYR 4 Cb 0.53 -0.56 -0.14 0.00 -0.02 0.00 0.00 39.34 39.15 1aa9 n TYR 4 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1aa9 n LYS 5 N 1.61 0.31 -2.34 -0.72 4.01 -1.26 -2.82 118.16 116.95 1aa9 n LYS 5 Ca 0.24 -0.26 -0.24 0.00 -0.51 0.00 0.00 58.31 57.53 1aa9 n LYS 5 Cb 0.38 -2.23 0.06 0.00 -0.51 0.00 0.00 35.03 32.73 1aa9 n LYS 5 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1aa9 s LEU 6 N 7.73 2.95 -0.17 -0.35 2.96 0.84 0.20 118.68 132.84 1aa9 s LEU 6 Ca 1.16 0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 55.22 1aa9 s LEU 6 Cb -0.62 -2.95 0.05 0.00 0.50 0.00 0.00 46.19 43.18 1aa9 s LEU 6 CO 0.37 -1.52 0.43 0.54 -1.32 0.00 0.00 176.35 174.85 1aa9 s VAL 7 N -3.12 -0.01 0.15 1.68 0.11 0.13 -2.75 120.40 116.58 1aa9 s VAL 7 Ca 0.60 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1aa9 s VAL 7 Cb -0.10 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 34.07 1aa9 s VAL 7 CO 0.43 0.02 0.36 -0.69 -3.33 0.00 0.00 175.10 171.89 1aa9 s VAL 8 N 0.95 5.21 0.32 2.04 1.01 -0.99 -1.18 120.40 127.76 1aa9 s VAL 8 Ca -0.06 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1aa9 s VAL 8 Cb -0.06 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1aa9 s VAL 8 CO -0.08 -0.00 0.35 1.33 0.00 0.00 0.00 175.10 176.70 1aa9 n VAL 9 N -0.08 0.00 -0.02 2.92 0.24 -0.57 -4.70 118.33 116.12 1aa9 n VAL 9 Ca -0.03 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 1aa9 n VAL 9 Cb 0.52 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 1aa9 n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aa9 n GLY 10 N -0.58 -4.07 3.66 7.63 0.00 -1.26 -2.74 105.19 107.83 1aa9 n GLY 10 Ca 0.04 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1aa9 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aa9 s ALA 11 N -1.05 1.04 -1.05 4.61 0.00 -1.26 -4.93 121.76 119.11 1aa9 s ALA 11 Ca 0.00 -0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.13 1aa9 s ALA 11 Cb 0.00 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.98 1aa9 s ALA 11 CO 0.00 -2.78 1.11 0.41 0.00 0.00 0.00 175.76 174.51 1aa9 n GLY 12 N -0.60 -1.05 0.00 0.00 0.00 -1.26 -3.82 105.19 98.46 1aa9 n GLY 12 Ca 0.06 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1aa9 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aa9 n GLY 13 N 1.49 -1.38 0.13 -0.02 0.00 -1.26 -3.64 105.19 100.52 1aa9 n GLY 13 Ca 0.05 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1aa9 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aa9 n VAL 14 N -1.44 1.74 0.00 1.61 0.24 -1.25 -4.95 118.33 114.28 1aa9 n VAL 14 Ca 0.08 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1aa9 n VAL 14 Cb 0.29 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 1aa9 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aa9 n GLY 15 N 1.92 0.44 0.34 7.63 0.00 -1.24 -4.69 105.19 109.59 1aa9 n GLY 15 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1aa9 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1aa9 h LYS 16 N 0.00 -0.45 0.03 1.61 3.64 -1.78 -2.92 116.57 116.70 1aa9 h LYS 16 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1aa9 h LYS 16 Cb 0.00 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1aa9 h LYS 16 CO 0.00 -0.30 -0.01 0.77 -2.27 0.00 0.00 179.45 177.64 1aa9 h SER 17 N -0.46 -0.04 -0.47 4.20 0.02 -1.91 -3.01 113.55 111.88 1aa9 h SER 17 Ca 0.07 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.19 1aa9 h SER 17 Cb 0.56 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.03 1aa9 h SER 17 CO -0.29 -0.02 0.17 0.00 -1.14 0.00 0.00 176.83 175.54 1aa9 n ALA 18 N -2.03 0.40 0.07 3.77 0.00 -1.23 0.18 120.51 121.66 1aa9 n ALA 18 Ca -0.01 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 1aa9 n ALA 18 Cb 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 1aa9 n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1aa9 h LEU 19 N 0.00 -0.17 0.51 0.00 3.38 -1.50 -1.46 115.31 116.08 1aa9 h LEU 19 Ca 0.36 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1aa9 h LEU 19 Cb 0.89 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1aa9 h LEU 19 CO -0.39 0.26 -0.27 0.74 0.09 0.00 0.00 178.44 178.87 1aa9 h THR 20 N -0.63 0.00 -0.61 0.22 2.02 0.20 -2.41 112.91 111.70 1aa9 h THR 20 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1aa9 h THR 20 Cb 0.48 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.81 1aa9 h THR 20 CO 0.03 0.00 -0.36 -0.38 0.37 0.00 0.00 175.52 175.18 1aa9 n ILE 21 N -4.04 -0.42 -0.06 3.11 -0.00 0.35 -1.34 119.36 116.96 1aa9 n ILE 21 Ca -0.09 1.76 -0.05 0.00 -0.00 0.00 0.00 62.75 64.37 1aa9 n ILE 21 Cb 0.29 -2.20 -0.04 0.00 -0.00 0.00 0.00 39.64 37.69 1aa9 n ILE 21 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1aa9 h GLN 22 N 0.00 -0.14 -1.12 0.38 -0.00 -1.19 1.19 115.11 114.24 1aa9 h GLN 22 Ca 0.10 0.01 0.32 0.00 -0.00 0.00 0.00 58.65 59.08 1aa9 h GLN 22 Cb 0.25 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.72 1aa9 h GLN 22 CO -0.58 -0.09 0.88 1.25 0.00 0.00 0.00 178.83 180.29 1aa9 h LEU 23 N -0.14 0.00 0.00 -2.39 5.85 -0.69 0.36 115.31 118.30 1aa9 h LEU 23 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1aa9 h LEU 23 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1aa9 h LEU 23 CO -0.23 0.00 0.00 -0.38 -0.34 0.00 0.00 178.44 177.49 1aa9 n ILE 24 N -3.99 0.00 0.04 4.05 2.08 0.53 -4.55 119.36 117.51 1aa9 n ILE 24 Ca 0.24 0.00 0.20 0.00 0.56 0.00 0.00 62.75 63.75 1aa9 n ILE 24 Cb 1.24 -0.88 0.53 0.00 -0.75 0.00 0.00 39.64 39.79 1aa9 n ILE 24 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1aa9 h GLN 25 N 0.00 0.00 0.00 0.38 1.08 0.12 -3.43 115.11 113.26 1aa9 h GLN 25 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aa9 h GLN 25 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1aa9 h GLN 25 CO 0.00 0.00 0.00 -1.71 -0.95 0.00 0.00 178.83 176.17 1aa9 n ASN 26 N -3.24 -2.31 -4.36 1.46 2.85 0.13 -4.95 115.26 104.82 1aa9 n ASN 26 Ca 0.11 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.40 1aa9 n ASN 26 Cb 1.00 -1.68 -0.10 0.00 1.24 0.00 0.00 39.78 40.23 1aa9 n ASN 26 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1aa9 s HIS 27 N -1.96 1.68 -0.06 1.20 2.46 -1.26 -4.96 115.29 112.40 1aa9 s HIS 27 Ca 0.00 -0.98 -0.04 0.00 0.47 0.00 0.00 55.06 54.51 1aa9 s HIS 27 Cb 0.00 -1.02 -0.04 0.00 -0.13 0.00 0.00 32.58 31.39 1aa9 s HIS 27 CO 0.00 -0.07 0.15 0.12 -2.47 0.00 0.00 174.74 172.47 1aa9 s PHE 28 N -3.44 3.54 0.00 3.88 2.19 -1.26 -3.87 117.98 119.02 1aa9 s PHE 28 Ca 0.33 0.41 0.00 0.00 0.33 0.00 0.00 56.93 58.00 1aa9 s PHE 28 Cb 0.07 -1.87 0.00 0.00 -1.31 0.00 0.00 43.02 39.91 1aa9 s PHE 28 CO 0.12 0.67 0.00 1.55 1.83 0.00 0.00 175.22 179.39 1aa9 n VAL 29 N 1.44 0.00 -3.15 3.12 3.14 -1.26 -4.99 118.33 116.63 1aa9 n VAL 29 Ca -0.15 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.08 1aa9 n VAL 29 Cb 0.54 -0.85 -0.02 0.00 -1.06 0.00 0.00 33.84 32.44 1aa9 n VAL 29 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1aa9 n ASP 30 N -1.96 -1.58 0.00 6.55 5.68 -1.26 -4.62 116.55 119.36 1aa9 n ASP 30 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1aa9 n ASP 30 Cb 0.46 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1aa9 n ASP 30 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1aa9 n GLU 31 N -3.06 2.80 -1.67 0.11 2.13 -1.26 -5.05 120.64 114.65 1aa9 n GLU 31 Ca 0.03 0.00 -0.48 0.00 0.66 0.00 0.00 57.16 57.36 1aa9 n GLU 31 Cb 0.49 -0.76 -0.05 0.00 0.27 0.00 0.00 31.44 31.39 1aa9 n GLU 31 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1aa9 n TYR 32 N -0.81 2.21 -2.57 4.31 4.01 -1.26 -4.96 117.16 118.08 1aa9 n TYR 32 Ca 0.00 0.22 -0.24 0.00 -0.16 0.00 0.00 57.90 57.72 1aa9 n TYR 32 Cb 0.01 -2.56 0.04 0.00 -0.31 0.00 0.00 39.34 36.51 1aa9 n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1aa9 s ASP 33 N 2.24 5.35 0.00 7.72 1.01 -1.26 -4.95 116.67 126.79 1aa9 s ASP 33 Ca 0.86 0.29 -0.01 0.00 0.71 0.00 0.00 52.55 54.39 1aa9 s ASP 33 Cb -0.74 -1.22 -0.06 0.00 1.01 0.00 0.00 42.92 41.91 1aa9 s ASP 33 CO 0.46 -1.13 2.35 -0.81 0.21 0.00 0.00 175.17 176.25 1aa9 n PRO 34 N -2.45 1.22 0.00 8.23 -0.04 -1.26 -3.55 135.00 137.15 1aa9 n PRO 34 Ca 0.06 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1aa9 n PRO 34 Cb 0.59 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1aa9 n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1aa9 n THR 35 N 1.75 0.00 -0.56 0.52 5.66 -1.26 -2.50 114.28 117.89 1aa9 n THR 35 Ca 0.10 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.92 1aa9 n THR 35 Cb 0.59 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 69.51 1aa9 n THR 35 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1aa9 n ILE 36 N -1.32 0.00 -3.47 1.09 2.08 -1.23 -4.72 119.36 111.79 1aa9 n ILE 36 Ca 0.00 -0.05 0.01 0.00 0.56 0.00 0.00 62.75 63.27 1aa9 n ILE 36 Cb 0.00 -0.46 -0.05 0.00 -0.75 0.00 0.00 39.64 38.39 1aa9 n ILE 36 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1aa9 s GLU 37 N -3.35 0.28 0.01 0.38 2.12 -1.26 -4.19 118.70 112.69 1aa9 s GLU 37 Ca 0.35 0.62 -0.28 0.00 0.36 0.00 0.00 54.97 56.02 1aa9 s GLU 37 Cb -0.06 0.28 0.10 0.00 0.26 0.00 0.00 34.13 34.72 1aa9 s GLU 37 CO 0.35 -0.08 0.86 -0.51 -0.54 0.00 0.00 175.26 175.33 1aa9 s ASP 38 N 2.03 -0.39 -0.11 -1.70 1.01 -1.26 -5.03 116.67 111.21 1aa9 s ASP 38 Ca -0.04 0.00 -0.03 0.00 0.71 0.00 0.00 52.55 53.19 1aa9 s ASP 38 Cb -0.05 0.41 -0.03 0.00 1.01 0.00 0.00 42.92 44.26 1aa9 s ASP 38 CO -0.16 -0.66 -0.01 -0.94 0.21 0.00 0.00 175.17 173.61 1aa9 s SER 39 N -2.51 5.10 -0.50 0.27 1.04 -1.26 -2.01 113.70 113.84 1aa9 s SER 39 Ca 0.05 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 56.35 1aa9 s SER 39 Cb -0.01 -1.58 0.07 0.00 0.10 0.00 0.00 66.02 64.60 1aa9 s SER 39 CO -0.09 0.30 0.55 -0.31 0.98 0.00 0.00 173.24 174.67 1aa9 s TYR 40 N -0.41 3.11 -0.19 5.02 1.51 -0.71 -4.94 117.35 120.74 1aa9 s TYR 40 Ca 0.07 -0.70 -0.15 0.00 -1.01 0.00 0.00 57.07 55.28 1aa9 s TYR 40 Cb -0.12 -3.45 -0.04 0.00 -0.11 0.00 0.00 41.96 38.24 1aa9 s TYR 40 CO 0.02 -0.97 0.36 1.03 -1.11 0.00 0.00 175.55 174.88 1aa9 s ARG 41 N 2.29 4.19 0.00 -0.62 3.00 -1.26 -2.15 118.95 124.40 1aa9 s ARG 41 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 55.73 55.99 1aa9 s ARG 41 Cb -0.21 -3.51 0.00 0.00 0.00 0.00 0.00 34.95 31.23 1aa9 s ARG 41 CO 0.10 0.04 0.00 1.17 0.00 0.00 0.00 175.30 176.61 1aa9 n LYS 42 N 4.21 0.00 -2.42 3.54 4.81 -0.76 -5.02 118.16 122.51 1aa9 n LYS 42 Ca -0.10 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.02 1aa9 n LYS 42 Cb 0.51 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.53 1aa9 n LYS 42 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1aa9 s GLN 43 N -0.65 3.93 0.00 1.64 -0.21 -1.26 -2.48 119.66 120.63 1aa9 s GLN 43 Ca 0.00 1.00 0.00 0.00 0.02 0.00 0.00 55.36 56.38 1aa9 s GLN 43 Cb 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.88 1aa9 s GLN 43 CO 0.00 -0.29 0.00 1.33 -2.12 0.00 0.00 175.29 174.21 1aa9 n VAL 44 N -1.51 0.00 -4.04 1.09 0.24 -1.11 -4.86 118.33 108.15 1aa9 n VAL 44 Ca 0.07 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.04 1aa9 n VAL 44 Cb 0.54 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.76 1aa9 n VAL 44 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1aa9 s VAL 45 N -0.33 2.37 0.00 3.34 0.11 -1.26 -2.32 120.40 122.31 1aa9 s VAL 45 Ca 0.00 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 1aa9 s VAL 45 Cb 0.00 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1aa9 s VAL 45 CO 0.00 0.18 0.00 -0.38 -3.33 0.00 0.00 175.10 171.57 1aa9 n ILE 46 N 4.55 0.00 -0.50 7.04 2.08 -1.02 -4.61 119.36 126.90 1aa9 n ILE 46 Ca -0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1aa9 n ILE 46 Cb 0.46 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 1aa9 n ILE 46 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1aa9 n ASP 47 N -2.24 -0.74 0.00 4.38 2.03 -1.26 0.43 116.55 119.16 1aa9 n ASP 47 Ca 0.00 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1aa9 n ASP 47 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1aa9 n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1aa9 n GLY 48 N 1.99 0.29 0.00 0.27 0.00 -1.26 -4.89 105.19 101.60 1aa9 n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1aa9 n GLY 48 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1aa9 n GLU 49 N -1.77 0.95 -3.61 1.61 0.28 0.17 -5.08 120.64 113.19 1aa9 n GLU 49 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1aa9 n GLU 49 Cb 0.05 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.87 1aa9 n GLU 49 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1aa9 s THR 50 N 4.15 0.00 -0.28 3.84 2.01 -1.26 -2.45 115.64 121.65 1aa9 s THR 50 Ca 0.00 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1aa9 s THR 50 Cb 0.00 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.60 1aa9 s THR 50 CO 0.00 0.00 0.69 0.00 -0.69 0.00 0.00 174.62 174.62 1aa9 n LEU 52 N 4.53 3.11 -4.39 0.00 0.00 0.40 -2.73 117.00 117.92 1aa9 n LEU 52 Ca -0.18 1.05 -0.19 0.00 0.00 0.00 0.00 56.01 56.68 1aa9 n LEU 52 Cb 0.57 -1.39 -0.10 0.00 0.00 0.00 0.00 43.42 42.49 1aa9 n LEU 52 CO -0.02 -0.26 -0.31 -0.22 0.00 0.00 0.00 177.39 176.57 1aa9 s LEU 53 N 1.86 2.23 -0.34 -1.96 0.20 -1.03 0.46 118.68 120.09 1aa9 s LEU 53 Ca 0.83 -1.27 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1aa9 s LEU 53 Cb -0.70 -0.37 0.16 0.00 -0.43 0.00 0.00 46.19 44.84 1aa9 s LEU 53 CO 0.43 -0.52 0.43 -0.62 -0.29 0.00 0.00 176.35 175.78 1aa9 s ASP 54 N -3.40 0.44 -0.30 3.68 2.15 -1.13 -1.84 116.67 116.28 1aa9 s ASP 54 Ca 0.32 -0.95 -0.19 0.00 0.43 0.00 0.00 52.55 52.15 1aa9 s ASP 54 Cb 0.06 1.00 -0.01 0.00 -0.30 0.00 0.00 42.92 43.67 1aa9 s ASP 54 CO 0.12 -0.29 0.57 -0.63 -0.17 0.00 0.00 175.17 174.77 1aa9 s ILE 55 N 1.97 4.99 0.46 4.11 1.01 -0.92 -0.11 121.20 132.71 1aa9 s ILE 55 Ca 0.14 0.76 -0.22 0.00 0.00 0.00 0.00 60.65 61.33 1aa9 s ILE 55 Cb -0.12 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 1aa9 s ILE 55 CO -0.16 -0.09 1.07 -0.22 0.00 0.00 0.00 174.94 175.54 1aa9 s LEU 56 N 2.48 3.95 -0.06 2.97 2.96 -1.11 -1.74 118.68 128.12 1aa9 s LEU 56 Ca 0.23 2.04 0.06 0.00 -0.22 0.00 0.00 54.13 56.24 1aa9 s LEU 56 Cb -0.15 -4.41 -0.24 0.00 0.50 0.00 0.00 46.19 41.89 1aa9 s LEU 56 CO 0.11 -0.76 0.60 -2.24 -1.32 0.00 0.00 176.35 172.74 1aa9 h ASP 57 N 1.87 0.14 -4.09 3.68 2.03 -1.76 -2.62 116.42 115.67 1aa9 h ASP 57 Ca -0.49 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 55.51 1aa9 h ASP 57 Cb 1.23 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1aa9 h ASP 57 CO 0.60 1.27 -0.63 0.35 -1.03 0.00 0.00 179.24 179.80 1aa9 n THR 58 N -3.20 -4.04 -3.06 1.15 -2.24 -1.26 -4.67 114.28 96.96 1aa9 n THR 58 Ca -0.21 1.69 0.00 0.00 -2.27 0.00 0.00 64.05 63.26 1aa9 n THR 58 Cb 1.05 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 1aa9 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aa9 n ALA 59 N -0.63 0.00 -2.21 6.98 0.00 -1.26 -4.89 120.51 118.50 1aa9 n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1aa9 n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1aa9 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aa9 n GLY 60 N 5.00 2.95 1.87 0.00 0.00 -1.04 -4.58 105.19 109.40 1aa9 n GLY 60 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 1aa9 n GLY 60 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1aa9 n GLN 61 N 0.00 -1.87 0.00 1.61 -0.06 -1.23 -4.57 117.38 111.26 1aa9 n GLN 61 Ca 0.00 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1aa9 n GLN 61 Cb 0.00 -4.53 0.00 0.00 -4.06 0.00 0.00 30.24 21.65 1aa9 n GLN 61 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1aa9 n GLU 62 N -1.91 0.00 0.15 3.69 -0.58 -1.26 -5.07 120.64 115.66 1aa9 n GLU 62 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1aa9 n GLU 62 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 1aa9 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1aa9 n GLU 63 N 0.00 0.00 0.00 3.49 4.07 -1.26 -5.08 120.64 121.86 1aa9 n GLU 63 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1aa9 n GLU 63 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1aa9 n GLU 63 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1aa9 n TYR 64 N -3.17 0.00 1.54 4.31 0.18 -1.26 -4.93 117.16 113.83 1aa9 n TYR 64 Ca 0.00 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.79 1aa9 n TYR 64 Cb 0.00 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.03 1aa9 n TYR 64 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1aa9 n SER 65 N 0.00 0.00 0.23 9.48 7.64 -1.26 -3.17 113.62 126.54 1aa9 n SER 65 Ca 0.00 -1.46 0.11 0.00 1.01 0.00 0.00 58.87 58.53 1aa9 n SER 65 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 1aa9 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aa9 h ALA 66 N 2.64 0.99 0.01 -0.43 0.00 -1.95 -2.54 119.26 117.98 1aa9 h ALA 66 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1aa9 h ALA 66 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1aa9 h ALA 66 CO 0.00 0.21 -0.00 0.52 0.00 0.00 0.00 179.25 179.97 1aa9 h MET 67 N 0.00 -0.01 -2.39 0.00 2.86 -1.79 -3.37 114.93 110.24 1aa9 h MET 67 Ca -0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 1aa9 h MET 67 Cb 0.75 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.27 1aa9 h MET 67 CO 0.02 -0.01 1.65 -2.13 1.06 0.00 0.00 176.91 177.50 1aa9 n ARG 68 N -2.20 3.75 0.01 1.72 0.63 -1.25 -4.48 116.66 114.83 1aa9 n ARG 68 Ca -0.00 -3.00 0.11 0.00 -0.92 0.00 0.00 57.85 54.04 1aa9 n ARG 68 Cb 0.00 -2.44 0.01 0.00 0.45 0.00 0.00 32.46 30.48 1aa9 n ARG 68 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1aa9 n ASP 69 N 1.45 0.71 -0.39 6.15 -0.08 -0.96 -4.19 116.55 119.25 1aa9 n ASP 69 Ca 0.57 -0.54 0.09 0.00 -1.51 0.00 0.00 54.79 53.41 1aa9 n ASP 69 Cb 0.37 0.80 0.38 0.00 2.34 0.00 0.00 41.12 45.01 1aa9 n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aa9 n GLN 70 N -1.67 1.52 0.00 -0.67 6.02 -1.26 -4.01 117.38 117.31 1aa9 n GLN 70 Ca 0.03 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 1aa9 n GLN 70 Cb 0.37 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1aa9 n GLN 70 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1aa9 n TYR 71 N 0.02 0.00 0.06 1.08 4.19 -1.26 -4.80 117.16 116.44 1aa9 n TYR 71 Ca 0.14 0.00 0.18 0.00 3.31 0.00 0.00 57.90 61.53 1aa9 n TYR 71 Cb 0.24 0.00 0.69 0.00 0.49 0.00 0.00 39.34 40.76 1aa9 n TYR 71 CO 0.00 0.00 0.00 0.52 0.91 0.00 0.00 176.86 178.29 1aa9 h MET 72 N 0.00 0.00 -0.76 2.98 0.00 -1.73 -0.83 114.93 114.59 1aa9 h MET 72 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 59.70 59.91 1aa9 h MET 72 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 31.60 31.89 1aa9 h MET 72 CO 0.00 0.00 0.54 0.00 0.00 0.00 0.00 176.91 177.45 1aa9 h ARG 73 N 0.00 0.06 -0.03 1.72 3.08 -1.87 -0.58 114.38 116.76 1aa9 h ARG 73 Ca 0.20 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1aa9 h ARG 73 Cb 0.82 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1aa9 h ARG 73 CO -0.00 0.04 0.00 -2.37 -1.07 0.00 0.00 179.97 176.57 1aa9 n THR 74 N -4.34 0.12 -1.15 2.04 5.66 -0.38 -4.97 114.28 111.26 1aa9 n THR 74 Ca 0.15 -0.56 -0.25 0.00 -3.05 0.00 0.00 64.05 60.35 1aa9 n THR 74 Cb 0.79 1.06 -0.14 0.00 -1.55 0.00 0.00 70.33 70.48 1aa9 n THR 74 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1aa9 n GLY 75 N 0.35 -0.38 0.08 1.09 0.00 -0.23 -4.70 105.19 101.40 1aa9 n GLY 75 Ca 0.04 0.46 -0.06 0.00 0.00 0.00 0.00 46.02 46.46 1aa9 n GLY 75 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1aa9 h GLU 76 N 8.85 0.02 -1.81 1.61 4.57 -0.54 -3.46 114.58 123.83 1aa9 h GLU 76 Ca -0.01 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1aa9 h GLU 76 Cb 0.94 0.01 -0.23 0.00 -0.16 0.00 0.00 28.75 29.31 1aa9 h GLU 76 CO 1.16 0.93 0.24 0.20 -1.18 0.00 0.00 179.01 180.36 1aa9 s GLY 77 N -4.65 -0.36 -0.17 1.92 0.00 -0.97 -4.51 107.32 98.58 1aa9 s GLY 77 Ca 0.00 2.48 -0.03 0.00 0.00 0.00 0.00 44.72 47.17 1aa9 s GLY 77 CO 0.81 2.04 -0.06 -1.36 0.00 0.00 0.00 173.10 174.53 1aa9 s PHE 78 N 0.74 2.95 -0.25 1.90 0.40 -0.92 0.19 117.98 122.99 1aa9 s PHE 78 Ca -0.02 -0.54 -0.09 0.00 -0.60 0.00 0.00 56.93 55.68 1aa9 s PHE 78 Cb -0.05 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1aa9 s PHE 78 CO -0.08 -0.21 0.12 -1.17 0.70 0.00 0.00 175.22 174.58 1aa9 s LEU 79 N 0.66 3.78 -0.56 -0.37 1.98 -0.33 -2.70 118.68 121.15 1aa9 s LEU 79 Ca -0.03 -0.06 -0.22 0.00 -2.89 0.00 0.00 54.13 50.93 1aa9 s LEU 79 Cb -0.15 -2.02 0.05 0.00 0.66 0.00 0.00 46.19 44.73 1aa9 s LEU 79 CO 0.02 0.00 0.86 0.00 -1.89 0.00 0.00 176.35 175.35 1aa9 n VAL 81 N 5.99 3.96 -2.72 0.00 3.14 -1.11 -1.71 118.33 125.88 1aa9 n VAL 81 Ca -0.02 -2.87 -0.32 0.00 -2.96 0.00 0.00 64.34 58.17 1aa9 n VAL 81 Cb 0.46 -2.04 -0.05 0.00 -1.06 0.00 0.00 33.84 31.16 1aa9 n VAL 81 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1aa9 s PHE 82 N -0.04 3.41 -0.07 1.45 -0.12 -0.87 -4.24 117.98 117.50 1aa9 s PHE 82 Ca 0.62 1.37 -0.05 0.00 -0.05 0.00 0.00 56.93 58.82 1aa9 s PHE 82 Cb 0.27 -2.69 -0.04 0.00 -0.63 0.00 0.00 43.02 39.94 1aa9 s PHE 82 CO -0.10 -0.18 0.14 0.00 -0.05 0.00 0.00 175.22 175.04 1aa9 s ALA 83 N -2.36 3.86 -1.51 1.99 0.00 -1.26 -0.70 121.76 121.77 1aa9 s ALA 83 Ca 0.57 -0.71 0.20 0.00 0.00 0.00 0.00 51.96 52.03 1aa9 s ALA 83 Cb -0.10 -1.89 1.06 0.00 0.00 0.00 0.00 23.12 22.19 1aa9 s ALA 83 CO 0.25 0.67 1.64 0.44 0.00 0.00 0.00 175.76 178.76 1aa9 n ILE 84 N 1.57 0.32 1.06 0.00 -0.00 -1.26 -1.66 119.36 119.40 1aa9 n ILE 84 Ca -0.16 0.08 0.12 0.00 -0.00 0.00 0.00 62.75 62.79 1aa9 n ILE 84 Cb 0.54 -0.75 0.12 0.00 -0.00 0.00 0.00 39.64 39.56 1aa9 n ILE 84 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1aa9 n ASN 85 N -1.25 2.42 -3.49 7.28 0.23 -1.26 -0.15 115.26 119.04 1aa9 n ASN 85 Ca 0.10 -1.73 -0.28 0.00 -0.53 0.00 0.00 54.58 52.15 1aa9 n ASN 85 Cb 0.15 0.16 -0.11 0.00 -2.08 0.00 0.00 39.78 37.90 1aa9 n ASN 85 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1aa9 s ASN 86 N -2.18 2.35 0.54 0.53 2.20 -0.66 -4.14 114.94 113.57 1aa9 s ASN 86 Ca 0.26 -2.87 0.31 0.00 -0.94 0.00 0.00 52.86 49.62 1aa9 s ASN 86 Cb 0.19 -0.59 1.48 0.00 -2.00 0.00 0.00 41.25 40.33 1aa9 s ASN 86 CO 0.40 -0.21 1.89 0.00 -2.94 0.00 0.00 177.10 176.25 1aa9 h THR 87 N 4.77 0.54 0.00 0.54 1.03 -1.82 -2.75 112.91 115.22 1aa9 h THR 87 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.58 1aa9 h THR 87 Cb 0.91 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1aa9 h THR 87 CO 0.39 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 177.07 1aa9 n LYS 88 N -4.23 0.00 -0.30 0.00 4.81 -1.26 0.62 118.16 117.80 1aa9 n LYS 88 Ca 0.18 0.71 0.12 0.00 -0.87 0.00 0.00 58.31 58.44 1aa9 n LYS 88 Cb 0.94 -1.20 0.27 0.00 0.02 0.00 0.00 35.03 35.06 1aa9 n LYS 88 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1aa9 h SER 89 N 0.00 -0.13 -0.77 3.14 4.64 -1.85 0.38 113.55 118.96 1aa9 h SER 89 Ca 0.00 0.21 0.13 0.00 -0.47 0.00 0.00 61.79 61.66 1aa9 h SER 89 Cb 0.00 0.31 -0.14 0.00 -0.31 0.00 0.00 62.40 62.26 1aa9 h SER 89 CO 0.00 -0.19 -0.33 0.15 -0.87 0.00 0.00 176.83 175.58 1aa9 h PHE 90 N 0.16 -0.91 0.00 4.77 3.57 0.23 2.28 116.94 127.04 1aa9 h PHE 90 Ca 0.53 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 62.09 1aa9 h PHE 90 Cb 1.07 0.51 -0.00 0.00 2.79 0.00 0.00 35.95 40.32 1aa9 h PHE 90 CO -0.32 -0.39 -0.13 0.93 -2.23 0.00 0.00 178.31 176.17 1aa9 h GLU 91 N -0.08 0.00 0.00 1.11 5.08 0.26 -0.82 114.58 120.12 1aa9 h GLU 91 Ca 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1aa9 h GLU 91 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1aa9 h GLU 91 CO -0.82 0.13 -0.11 0.22 -1.00 0.00 0.00 179.01 177.43 1aa9 h ASP 92 N 0.00 0.00 0.20 1.42 1.82 0.45 -3.29 116.42 117.01 1aa9 h ASP 92 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1aa9 h ASP 92 Cb 0.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1aa9 h ASP 92 CO 0.02 0.11 -0.09 -0.29 -1.61 0.00 0.00 179.24 177.37 1aa9 h ILE 93 N 0.00 0.89 -1.00 2.25 -0.00 0.13 0.38 117.51 120.15 1aa9 h ILE 93 Ca -0.00 -0.84 0.23 0.00 -0.00 0.00 0.00 64.86 64.25 1aa9 h ILE 93 Cb 0.67 1.36 -0.10 0.00 -0.00 0.00 0.00 36.82 38.74 1aa9 h ILE 93 CO 0.01 0.18 0.63 -0.74 -0.00 0.00 0.00 178.15 178.23 1aa9 h HIS 94 N -0.71 0.81 -0.02 2.19 2.76 -1.64 0.57 115.15 119.11 1aa9 h HIS 94 Ca -0.03 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1aa9 h HIS 94 Cb 0.49 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1aa9 h HIS 94 CO 0.05 0.13 -0.78 0.37 -1.30 0.00 0.00 177.93 176.40 1aa9 h GLN 95 N 0.53 0.19 0.00 5.26 4.15 -1.60 -2.86 115.11 120.79 1aa9 h GLN 95 Ca 0.58 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.82 1aa9 h GLN 95 Cb 1.23 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1aa9 h GLN 95 CO -0.33 0.87 0.00 0.66 -1.93 0.00 0.00 178.83 178.11 1aa9 n TYR 96 N -3.73 0.00 -0.46 3.99 4.01 0.19 -2.27 117.16 118.90 1aa9 n TYR 96 Ca -0.03 0.00 0.40 0.00 -0.16 0.00 0.00 57.90 58.11 1aa9 n TYR 96 Cb 0.74 -0.39 0.73 0.00 -0.31 0.00 0.00 39.34 40.11 1aa9 n TYR 96 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1aa9 h ARG 97 N 0.00 0.06 0.21 -0.72 0.11 -1.48 0.27 114.38 112.83 1aa9 h ARG 97 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1aa9 h ARG 97 Cb 0.00 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 1aa9 h ARG 97 CO 0.00 0.04 -0.20 0.93 0.10 0.00 0.00 179.97 180.83 1aa9 h GLU 98 N 0.06 -0.43 -0.39 0.08 4.39 -1.25 -1.49 114.58 115.55 1aa9 h GLU 98 Ca 0.72 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 60.38 1aa9 h GLU 98 Cb 2.68 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 31.41 1aa9 h GLU 98 CO -0.11 -0.29 -0.06 0.37 -1.16 0.00 0.00 179.01 177.76 1aa9 h GLN 99 N -0.44 0.65 0.00 2.33 5.75 -0.07 -3.16 115.11 120.16 1aa9 h GLN 99 Ca -0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1aa9 h GLN 99 Cb 0.41 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1aa9 h GLN 99 CO -0.04 0.71 0.00 -0.89 -2.65 0.00 0.00 178.83 175.96 1aa9 n ILE 100 N -4.21 0.00 -0.46 2.39 2.08 -0.64 -1.46 119.36 117.06 1aa9 n ILE 100 Ca 0.01 1.27 0.38 0.00 0.56 0.00 0.00 62.75 64.98 1aa9 n ILE 100 Cb 0.31 -2.13 0.59 0.00 -0.75 0.00 0.00 39.64 37.67 1aa9 n ILE 100 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1aa9 n LYS 101 N -1.54 0.00 0.06 0.38 -0.00 -0.63 -0.00 118.16 116.43 1aa9 n LYS 101 Ca 0.00 0.93 -0.10 0.00 -0.00 0.00 0.00 58.31 59.14 1aa9 n LYS 101 Cb 0.00 -2.21 -0.07 0.00 -0.00 0.00 0.00 35.03 32.75 1aa9 n LYS 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1aa9 h ARG 102 N 0.00 -0.23 -0.11 -1.58 2.43 -1.22 -3.18 114.38 110.49 1aa9 h ARG 102 Ca 0.68 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.84 1aa9 h ARG 102 Cb 3.04 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 32.64 1aa9 h ARG 102 CO -0.01 0.16 -0.03 -0.39 -1.51 0.00 0.00 179.97 178.20 1aa9 h VAL 103 N -0.90 1.29 0.00 0.20 -1.51 0.38 -3.38 116.25 112.32 1aa9 h VAL 103 Ca -0.02 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1aa9 h VAL 103 Cb 0.50 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1aa9 h VAL 103 CO 0.04 0.27 0.00 0.29 -1.23 0.00 0.00 177.57 176.94 1aa9 n LYS 104 N -4.76 0.00 0.04 5.19 4.76 -0.52 -4.84 118.16 118.04 1aa9 n LYS 104 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1aa9 n LYS 104 Cb 0.24 -0.41 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 1aa9 n LYS 104 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1aa9 n ASP 105 N 0.00 -0.74 -0.61 4.39 8.00 -1.20 -5.03 116.55 121.35 1aa9 n ASP 105 Ca 0.00 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1aa9 n ASP 105 Cb 0.00 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 1aa9 n ASP 105 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1aa9 n SER 106 N -2.63 1.14 -2.39 -2.24 2.88 -1.22 -4.87 113.62 104.29 1aa9 n SER 106 Ca 0.00 -0.39 -0.29 0.00 -1.33 0.00 0.00 58.87 56.86 1aa9 n SER 106 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1aa9 n SER 106 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1aa9 n ASP 107 N -0.72 5.59 -2.73 -3.46 -0.08 -1.26 -4.10 116.55 109.79 1aa9 n ASP 107 Ca 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 54.79 49.48 1aa9 n ASP 107 Cb 0.00 -0.58 0.06 0.00 2.34 0.00 0.00 41.12 42.94 1aa9 n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1aa9 n ASP 108 N -0.61 0.66 -4.89 1.67 -0.08 -1.26 -5.05 116.55 106.98 1aa9 n ASP 108 Ca 0.46 -2.38 -0.29 0.00 -1.51 0.00 0.00 54.79 51.07 1aa9 n ASP 108 Cb 0.68 -0.15 0.02 0.00 2.34 0.00 0.00 41.12 44.02 1aa9 n ASP 108 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1aa9 s VAL 109 N -2.49 4.37 -0.62 5.18 -7.23 -1.26 -4.99 120.40 113.35 1aa9 s VAL 109 Ca 0.24 0.48 -0.28 0.00 -1.81 0.00 0.00 61.98 60.62 1aa9 s VAL 109 Cb 0.40 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.64 1aa9 s VAL 109 CO -0.03 -0.86 1.29 -2.16 -0.31 0.00 0.00 175.10 173.03 1aa9 s PRO 110 N -5.07 3.35 0.20 4.82 0.04 -1.26 -4.97 135.00 132.11 1aa9 s PRO 110 Ca 0.53 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.69 1aa9 s PRO 110 Cb -0.11 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.31 1aa9 s PRO 110 CO 0.50 -1.90 0.21 1.41 0.04 0.00 0.00 177.00 177.26 1aa9 s MET 111 N 5.36 1.25 -0.12 4.56 0.00 -1.26 -2.16 119.30 126.93 1aa9 s MET 111 Ca 0.43 -1.49 -0.13 0.00 0.00 0.00 0.00 55.69 54.51 1aa9 s MET 111 Cb -0.08 0.32 0.03 0.00 0.00 0.00 0.00 34.83 35.10 1aa9 s MET 111 CO 0.22 -0.44 0.35 0.54 0.00 0.00 0.00 175.02 175.69 1aa9 s VAL 112 N -4.10 0.01 0.03 10.11 0.11 -1.10 -4.61 120.40 120.84 1aa9 s VAL 112 Ca 0.32 -0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.11 1aa9 s VAL 112 Cb 0.05 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1aa9 s VAL 112 CO 0.09 -0.03 0.63 -0.76 -3.33 0.00 0.00 175.10 171.70 1aa9 s LEU 113 N 0.04 4.45 -0.01 2.54 2.01 -0.55 -1.65 118.68 125.51 1aa9 s LEU 113 Ca -0.01 1.25 0.00 0.00 0.01 0.00 0.00 54.13 55.38 1aa9 s LEU 113 Cb -0.03 -2.98 0.01 0.00 0.01 0.00 0.00 46.19 43.19 1aa9 s LEU 113 CO 0.01 0.13 -0.01 0.54 1.01 0.00 0.00 176.35 178.03 1aa9 s VAL 114 N -0.39 0.09 -0.49 -1.59 0.11 -0.70 -0.91 120.40 116.52 1aa9 s VAL 114 Ca 0.32 -0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.18 1aa9 s VAL 114 Cb -0.19 -0.11 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 1aa9 s VAL 114 CO 0.19 0.05 0.55 -0.83 -3.33 0.00 0.00 175.10 171.73 1aa9 s GLY 115 N 0.23 1.85 0.00 6.54 0.00 -0.38 -2.04 107.32 113.51 1aa9 s GLY 115 Ca -0.02 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1aa9 s GLY 115 CO -0.01 1.35 0.00 0.70 0.00 0.00 0.00 173.10 175.14 1aa9 n ASN 116 N 5.88 0.00 -1.13 1.64 5.03 0.12 -1.21 115.26 125.60 1aa9 n ASN 116 Ca -0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1aa9 n ASN 116 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.21 1aa9 n ASN 116 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1aa9 n LYS 117 N 0.00 0.00 0.03 3.52 5.02 -1.17 -4.05 118.16 121.52 1aa9 n LYS 117 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1aa9 n LYS 117 Cb 0.00 -0.28 0.09 0.00 -0.02 0.00 0.00 35.03 34.82 1aa9 n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aa9 n ASP 119 N -1.93 0.00 -3.16 0.00 8.00 -1.26 -4.56 116.55 113.65 1aa9 n ASP 119 Ca 0.03 0.61 -0.08 0.00 0.71 0.00 0.00 54.79 56.06 1aa9 n ASP 119 Cb 0.42 -0.11 0.08 0.00 -0.02 0.00 0.00 41.12 41.49 1aa9 n ASP 119 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1aa9 n LEU 120 N -1.36 0.00 0.00 0.64 4.77 -1.26 -5.02 117.00 114.77 1aa9 n LEU 120 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1aa9 n LEU 120 Cb 0.00 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1aa9 n LEU 120 CO 0.00 -1.81 0.00 0.00 -1.33 0.00 0.00 177.39 174.25 1aa9 n ALA 121 N -3.08 0.00 -0.39 -1.18 0.00 -1.26 -5.00 120.51 109.59 1aa9 n ALA 121 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1aa9 n ALA 121 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1aa9 n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aa9 n ALA 122 N -3.00 -0.97 0.00 0.00 0.00 -1.26 -4.97 120.51 110.31 1aa9 n ALA 122 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1aa9 n ALA 122 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1aa9 n ALA 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aa9 n ARG 123 N -1.07 0.00 0.01 0.00 1.74 -1.25 -4.94 116.66 111.15 1aa9 n ARG 123 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1aa9 n ARG 123 Cb 0.08 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 31.97 1aa9 n ARG 123 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1aa9 h THR 124 N 0.00 1.07 -3.37 0.55 1.35 -0.71 -3.39 112.91 108.42 1aa9 h THR 124 Ca 0.00 -0.17 -0.57 0.00 -0.55 0.00 0.00 66.41 65.12 1aa9 h THR 124 Cb 0.00 0.53 -0.07 0.00 -1.73 0.00 0.00 68.15 66.88 1aa9 h THR 124 CO 0.00 0.09 0.05 0.68 -0.25 0.00 0.00 175.52 176.09 1aa9 s VAL 125 N -5.45 5.07 0.21 6.82 -7.23 -0.64 -4.63 120.40 114.56 1aa9 s VAL 125 Ca -0.08 1.25 -0.32 0.00 -1.81 0.00 0.00 61.98 61.01 1aa9 s VAL 125 Cb 0.18 -3.96 -0.13 0.00 0.56 0.00 0.00 36.38 33.03 1aa9 s VAL 125 CO 0.73 0.22 1.59 -0.62 -0.31 0.00 0.00 175.10 176.71 1aa9 n GLU 126 N 4.17 2.39 -0.15 4.82 1.02 -1.26 -4.85 120.64 126.78 1aa9 n GLU 126 Ca -0.03 0.86 -0.04 0.00 -0.02 0.00 0.00 57.16 57.93 1aa9 n GLU 126 Cb 0.51 -2.63 0.05 0.00 -0.02 0.00 0.00 31.44 29.34 1aa9 n GLU 126 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1aa9 h SER 127 N 5.69 0.28 -0.91 1.62 4.64 -1.94 0.18 113.55 123.11 1aa9 h SER 127 Ca -0.45 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.01 1aa9 h SER 127 Cb 1.24 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1aa9 h SER 127 CO 0.87 0.20 0.55 0.08 -0.87 0.00 0.00 176.83 177.66 1aa9 h ARG 128 N 0.42 0.90 0.00 4.77 0.11 -2.01 0.66 114.38 119.23 1aa9 h ARG 128 Ca 0.21 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 60.17 1aa9 h ARG 128 Cb 0.16 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 1aa9 h ARG 128 CO -0.18 0.59 -0.35 0.37 0.10 0.00 0.00 179.97 180.50 1aa9 h GLN 129 N 0.92 0.00 0.12 0.08 4.15 -1.40 -1.29 115.11 117.70 1aa9 h GLN 129 Ca 0.43 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.85 1aa9 h GLN 129 Cb 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1aa9 h GLN 129 CO -0.24 0.35 -0.06 0.00 -1.93 0.00 0.00 178.83 176.96 1aa9 h ALA 130 N 1.65 -0.16 -0.33 3.38 0.00 0.91 -2.09 119.26 122.61 1aa9 h ALA 130 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1aa9 h ALA 130 Cb 0.65 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1aa9 h ALA 130 CO 0.05 -0.47 -0.10 -0.56 0.00 0.00 0.00 179.25 178.17 1aa9 h GLN 131 N -0.40 0.65 -0.23 0.00 3.07 -1.44 -2.83 115.11 113.93 1aa9 h GLN 131 Ca -0.02 -0.26 0.03 0.00 0.09 0.00 0.00 58.65 58.50 1aa9 h GLN 131 Cb 0.33 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.80 1aa9 h GLN 131 CO 0.03 0.83 -0.37 -0.44 0.09 0.00 0.00 178.83 178.97 1aa9 h ASP 132 N 0.43 -1.23 -0.80 0.06 3.32 -1.16 0.12 116.42 117.16 1aa9 h ASP 132 Ca 0.08 0.16 0.12 0.00 0.02 0.00 0.00 57.03 57.41 1aa9 h ASP 132 Cb 0.60 0.50 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 1aa9 h ASP 132 CO 0.04 -0.28 0.52 0.17 -1.72 0.00 0.00 179.24 177.97 1aa9 h LEU 133 N -0.30 0.59 -1.37 1.55 8.10 -1.41 0.12 115.31 122.59 1aa9 h LEU 133 Ca 0.04 0.02 0.04 0.00 0.11 0.00 0.00 57.88 58.09 1aa9 h LEU 133 Cb 0.41 -0.10 -0.04 0.00 -0.44 0.00 0.00 40.66 40.50 1aa9 h LEU 133 CO -0.38 0.33 0.45 0.00 -4.11 0.00 0.00 178.44 174.74 1aa9 h ALA 134 N 1.61 1.62 0.00 0.17 0.00 -0.57 0.14 119.26 122.23 1aa9 h ALA 134 Ca 0.38 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1aa9 h ALA 134 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1aa9 h ALA 134 CO -0.15 0.31 -0.33 -0.09 0.00 0.00 0.00 179.25 178.99 1aa9 h ARG 135 N 0.82 0.00 0.05 0.00 2.43 0.72 0.53 114.38 118.92 1aa9 h ARG 135 Ca 0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1aa9 h ARG 135 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1aa9 h ARG 135 CO -0.08 0.33 -0.02 0.77 -1.51 0.00 0.00 179.97 179.45 1aa9 h SER 136 N 0.00 -0.06 0.53 -3.80 0.02 -0.22 -2.45 113.55 107.57 1aa9 h SER 136 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1aa9 h SER 136 Cb 0.87 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1aa9 h SER 136 CO 0.04 0.24 0.00 -1.22 -1.14 0.00 0.00 176.83 174.76 1aa9 n TYR 137 N -4.98 0.00 -0.93 3.45 4.01 -0.93 -4.86 117.16 112.92 1aa9 n TYR 137 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1aa9 n TYR 137 Cb 0.18 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 1aa9 n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aa9 n GLY 138 N 1.23 0.63 3.81 2.72 0.00 -0.35 -4.99 105.19 108.24 1aa9 n GLY 138 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1aa9 n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1aa9 s ILE 139 N -2.41 4.55 0.57 -0.61 -0.00 0.17 -4.92 121.20 118.55 1aa9 s ILE 139 Ca 0.00 -1.06 -0.14 0.00 -0.00 0.00 0.00 60.65 59.44 1aa9 s ILE 139 Cb 0.00 -3.33 -0.06 0.00 -0.00 0.00 0.00 42.46 39.07 1aa9 s ILE 139 CO 0.00 -0.12 1.01 -2.16 -0.00 0.00 0.00 174.94 173.67 1aa9 s PRO 140 N -3.15 3.74 -0.54 0.37 0.04 -1.26 -3.49 135.00 130.71 1aa9 s PRO 140 Ca 0.31 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 1aa9 s PRO 140 Cb -0.10 -2.10 0.14 0.00 0.04 0.00 0.00 34.50 32.47 1aa9 s PRO 140 CO 0.24 -0.45 0.41 -0.47 0.04 0.00 0.00 177.00 176.78 1aa9 s TYR 141 N -2.85 3.46 -0.08 0.56 5.04 -1.25 -1.49 117.35 120.74 1aa9 s TYR 141 Ca 0.58 -2.01 -0.17 0.00 -2.44 0.00 0.00 57.07 53.03 1aa9 s TYR 141 Cb -0.11 -3.50 -0.05 0.00 0.35 0.00 0.00 41.96 38.65 1aa9 s TYR 141 CO 0.41 -0.97 0.43 -1.50 -1.34 0.00 0.00 175.55 172.59 1aa9 s ILE 142 N 1.01 5.14 -0.40 3.14 2.07 -0.09 -4.91 121.20 127.16 1aa9 s ILE 142 Ca 0.09 0.87 -0.11 0.00 -1.41 0.00 0.00 60.65 60.10 1aa9 s ILE 142 Cb -0.23 -3.76 0.05 0.00 0.13 0.00 0.00 42.46 38.64 1aa9 s ILE 142 CO -0.02 0.42 0.24 -1.61 -1.91 0.00 0.00 174.94 172.06 1aa9 s GLU 143 N 0.02 2.75 0.00 3.50 8.01 -1.26 -1.25 118.70 130.46 1aa9 s GLU 143 Ca 0.24 -1.25 0.00 0.00 0.01 0.00 0.00 54.97 53.97 1aa9 s GLU 143 Cb -0.15 -3.78 0.00 0.00 -4.31 0.00 0.00 34.13 25.88 1aa9 s GLU 143 CO 0.11 -0.82 0.00 0.25 0.01 0.00 0.00 175.26 174.80 1aa9 n THR 144 N 4.98 0.00 -3.15 3.63 -2.24 -0.35 -4.70 114.28 112.45 1aa9 n THR 144 Ca -0.11 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.71 1aa9 n THR 144 Cb 0.45 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 1aa9 n THR 144 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1aa9 s SER 145 N 1.00 -1.25 0.65 3.42 0.15 -1.26 -2.17 113.70 114.25 1aa9 s SER 145 Ca 0.00 0.80 0.26 0.00 0.70 0.00 0.00 55.95 57.71 1aa9 s SER 145 Cb 0.00 2.06 1.39 0.00 -1.71 0.00 0.00 66.02 67.75 1aa9 s SER 145 CO 0.00 -0.23 1.79 0.00 1.20 0.00 0.00 173.24 175.99 1aa9 h ALA 146 N 8.00 1.57 0.11 5.45 0.00 -1.90 0.28 119.26 132.77 1aa9 h ALA 146 Ca -0.22 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 1aa9 h ALA 146 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1aa9 h ALA 146 CO 0.21 -0.50 -1.40 -0.22 0.00 0.00 0.00 179.25 177.34 1aa9 h LYS 147 N 0.00 0.23 0.00 0.00 3.11 -1.95 -3.30 116.57 114.66 1aa9 h LYS 147 Ca 0.04 -0.40 0.00 0.00 -2.81 0.00 0.00 60.65 57.48 1aa9 h LYS 147 Cb 0.95 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1aa9 h LYS 147 CO -0.00 1.12 -0.60 0.25 -2.81 0.00 0.00 179.45 177.41 1aa9 n THR 148 N -3.46 0.05 -2.24 1.00 -2.24 0.73 -4.91 114.28 103.22 1aa9 n THR 148 Ca -0.13 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1aa9 n THR 148 Cb 1.03 0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1aa9 n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1aa9 n ARG 149 N -1.60 -2.51 -0.08 -0.78 1.74 0.27 -4.72 116.66 108.97 1aa9 n ARG 149 Ca 0.05 0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 57.04 1aa9 n ARG 149 Cb 0.35 -4.57 -0.12 0.00 -1.02 0.00 0.00 32.46 27.10 1aa9 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1aa9 n GLN 150 N -2.32 0.62 -0.05 5.56 7.27 -1.26 -4.47 117.38 122.73 1aa9 n GLN 150 Ca -0.03 0.47 -0.10 0.00 0.07 0.00 0.00 57.00 57.40 1aa9 n GLN 150 Cb 0.45 -1.71 -0.15 0.00 2.41 0.00 0.00 30.24 31.24 1aa9 n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aa9 n GLY 151 N 1.57 -0.94 0.47 1.69 0.00 -1.26 -4.19 105.19 102.54 1aa9 n GLY 151 Ca -0.34 -0.15 0.40 0.00 0.00 0.00 0.00 46.02 45.92 1aa9 n GLY 151 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aa9 n VAL 152 N -2.99 -0.23 -0.05 1.61 0.24 -1.26 0.10 118.33 115.75 1aa9 n VAL 152 Ca -0.24 1.74 -0.15 0.00 -2.04 0.00 0.00 64.34 63.65 1aa9 n VAL 152 Cb 1.08 -2.85 -0.07 0.00 -1.47 0.00 0.00 33.84 30.53 1aa9 n VAL 152 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1aa9 h GLU 153 N 0.00 0.59 0.00 7.34 5.08 -1.78 -2.16 114.58 123.64 1aa9 h GLU 153 Ca 0.86 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1aa9 h GLU 153 Cb 2.82 0.06 0.00 0.00 0.50 0.00 0.00 28.75 32.13 1aa9 h GLU 153 CO -0.43 1.01 0.00 -0.25 -1.00 0.00 0.00 179.01 178.35 1aa9 n ASP 154 N -4.26 0.53 -0.03 1.42 8.00 0.29 -0.60 116.55 121.91 1aa9 n ASP 154 Ca -0.06 0.58 -0.15 0.00 0.71 0.00 0.00 54.79 55.87 1aa9 n ASP 154 Cb 0.54 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 1aa9 n ASP 154 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aa9 h ALA 155 N 2.52 -0.00 0.00 2.24 0.00 -0.26 -1.80 119.26 121.97 1aa9 h ALA 155 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1aa9 h ALA 155 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1aa9 h ALA 155 CO 0.00 0.06 -0.26 0.74 0.00 0.00 0.00 179.25 179.80 1aa9 h PHE 156 N -0.70 0.00 0.00 0.00 -1.00 -1.34 -3.05 116.94 110.85 1aa9 h PHE 156 Ca -0.03 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1aa9 h PHE 156 Cb 1.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.60 1aa9 h PHE 156 CO 0.22 0.00 -0.84 1.88 -1.61 0.00 0.00 178.31 177.96 1aa9 h TYR 157 N 0.00 0.00 0.04 -0.55 0.05 -0.92 -3.01 116.97 112.58 1aa9 h TYR 157 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1aa9 h TYR 157 Cb 0.90 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.64 1aa9 h TYR 157 CO 0.00 0.14 -0.27 0.00 -1.05 0.00 0.00 178.16 176.98 1aa9 h THR 158 N 0.00 1.66 -0.26 -2.88 1.03 -1.32 0.77 112.91 111.90 1aa9 h THR 158 Ca -0.03 -2.28 0.06 0.00 -0.01 0.00 0.00 66.41 64.16 1aa9 h THR 158 Cb 1.13 3.17 -0.07 0.00 -1.07 0.00 0.00 68.15 71.32 1aa9 h THR 158 CO 0.01 0.61 -0.21 0.25 -0.01 0.00 0.00 175.52 176.18 1aa9 h LEU 159 N -0.71 -0.67 -1.19 0.00 6.46 -1.64 0.21 115.31 117.77 1aa9 h LEU 159 Ca -0.04 0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1aa9 h LEU 159 Cb 1.16 0.33 -0.02 0.00 -0.73 0.00 0.00 40.66 41.40 1aa9 h LEU 159 CO 0.05 -0.24 -0.06 0.58 -0.62 0.00 0.00 178.44 178.15 1aa9 h VAL 160 N -0.20 1.21 -1.02 1.05 2.07 -1.59 -0.16 116.25 117.61 1aa9 h VAL 160 Ca 0.14 -0.87 0.28 0.00 0.82 0.00 0.00 66.70 67.08 1aa9 h VAL 160 Cb 0.42 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1aa9 h VAL 160 CO -0.38 0.29 0.71 -0.09 0.02 0.00 0.00 177.57 178.12 1aa9 h ARG 161 N 0.46 0.14 0.02 1.57 9.65 0.19 1.20 114.38 127.62 1aa9 h ARG 161 Ca 0.09 -0.01 -0.26 0.00 -1.10 0.00 0.00 59.98 58.70 1aa9 h ARG 161 Cb 0.39 -0.03 0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1aa9 h ARG 161 CO 0.02 0.09 -1.06 0.93 2.80 0.00 0.00 179.97 182.75 1aa9 h GLU 162 N 0.15 0.61 0.00 0.20 4.39 -0.21 -2.79 114.58 116.92 1aa9 h GLU 162 Ca 0.51 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1aa9 h GLU 162 Cb 1.76 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1aa9 h GLU 162 CO -0.10 1.28 0.00 -0.89 -1.16 0.00 0.00 179.01 178.14 1aa9 n ILE 163 N -3.81 0.00 -0.65 3.13 5.41 0.34 -3.24 119.36 120.54 1aa9 n ILE 163 Ca -0.10 0.42 0.50 0.00 1.00 0.00 0.00 62.75 64.57 1aa9 n ILE 163 Cb 0.89 -1.06 0.78 0.00 -0.71 0.00 0.00 39.64 39.55 1aa9 n ILE 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1aa9 h ARG 164 N 0.00 0.00 -0.08 0.38 1.12 0.44 0.31 114.38 116.54 1aa9 h ARG 164 Ca 0.00 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.66 1aa9 h ARG 164 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1aa9 h ARG 164 CO 0.00 0.00 -0.75 1.96 -3.11 0.00 0.00 179.97 178.07 1aa9 h GLN 165 N 0.00 0.66 -0.32 0.20 4.20 -1.58 -3.31 115.11 114.96 1aa9 h GLN 165 Ca 0.88 -0.60 0.07 0.00 0.06 0.00 0.00 58.65 59.06 1aa9 h GLN 165 Cb 3.66 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 31.52 1aa9 h GLN 165 CO -0.01 1.21 -0.14 1.12 -0.67 0.00 0.00 178.83 180.34 1aa9 h HIS 166 N 0.32 -0.33 -1.92 2.96 2.07 -0.35 -0.71 115.15 117.20 1aa9 h HIS 166 Ca -0.07 0.03 0.56 0.00 -2.85 0.00 0.00 60.37 58.04 1aa9 h HIS 166 Cb 1.41 0.19 -0.08 0.00 2.57 0.00 0.00 27.41 31.50 1aa9 h HIS 166 CO 0.11 -0.21 1.38 1.57 -3.07 0.00 0.00 177.93 177.71 1aa9 h LYS 167 N -0.08 0.00 0.00 5.12 5.09 -1.65 -1.77 116.57 123.29 1aa9 h LYS 167 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.90 1aa9 h LYS 167 Cb 0.33 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.66 1aa9 h LYS 167 CO -0.37 0.00 -0.84 -0.11 -2.09 0.00 0.00 179.45 176.04 1aa9 n LEU 168 N -3.97 1.66 -0.16 7.07 0.00 -0.36 -4.40 117.00 116.84 1aa9 n LEU 168 Ca 0.43 0.28 0.25 0.00 0.00 0.00 0.00 56.01 56.98 1aa9 n LEU 168 Cb 1.97 -0.69 0.40 0.00 0.00 0.00 0.00 43.42 45.09 1aa9 n LEU 168 CO 0.44 -0.32 1.23 0.08 0.00 0.00 0.00 177.39 178.83 1aa9 h ARG 169 N -0.84 0.00 0.00 1.96 0.11 -1.00 -3.17 114.38 111.44 1aa9 h ARG 169 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1aa9 h ARG 169 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1aa9 h ARG 169 CO 0.00 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.70 1aa9 n LYS 170 N -3.19 0.00 0.00 0.08 5.02 -0.69 -5.08 118.16 114.30 1aa9 n LYS 170 Ca 0.21 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1aa9 n LYS 170 Cb 1.47 -0.09 0.00 0.00 -0.02 0.00 0.00 35.03 36.39 1aa9 n LYS 170 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35