#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cil s TRP 5 N 0.00 2.82 0.00 1.57 1.48 -1.26 -4.87 118.94 118.68 1cil s TRP 5 Ca 0.00 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.58 1cil s TRP 5 Cb 0.00 -3.12 0.00 0.00 -1.16 0.00 0.00 33.47 29.19 1cil s TRP 5 CO 0.00 -1.33 0.00 0.41 -4.06 0.00 0.00 176.95 171.97 1cil n GLY 6 N -0.54 2.92 0.00 3.67 0.00 -0.62 -5.04 105.19 105.57 1cil n GLY 6 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1cil n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cil n TYR 7 N 0.00 0.00 -2.17 1.61 4.01 -1.26 -3.78 117.16 115.57 1cil n TYR 7 Ca 0.00 -0.37 -0.28 0.00 -0.16 0.00 0.00 57.90 57.09 1cil n TYR 7 Cb 0.00 -0.04 0.17 0.00 -0.31 0.00 0.00 39.34 39.16 1cil n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cil s GLY 8 N -0.74 1.78 0.32 2.72 0.00 -1.26 -4.68 107.32 105.46 1cil s GLY 8 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.32 1cil s GLY 8 CO 0.00 -0.71 1.90 1.70 0.00 0.00 0.00 173.10 175.98 1cil h LYS 9 N -1.30 0.89 0.00 2.90 3.64 -1.97 0.89 116.57 121.62 1cil h LYS 9 Ca -0.41 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1cil h LYS 9 Cb 1.24 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1cil h LYS 9 CO 0.37 0.59 -0.68 0.45 -2.27 0.00 0.00 179.45 177.91 1cil h HIS 10 N 0.92 0.00 0.00 1.91 3.86 -2.00 -3.39 115.15 116.45 1cil h HIS 10 Ca 0.41 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1cil h HIS 10 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1cil h HIS 10 CO -0.00 0.00 -0.11 0.27 0.86 0.00 0.00 177.93 178.95 1cil n ASN 11 N -2.24 0.47 -2.42 2.45 6.94 -1.06 -4.94 115.26 114.45 1cil n ASN 11 Ca 0.03 -1.52 -0.06 0.00 -0.02 0.00 0.00 54.58 53.00 1cil n ASN 11 Cb 0.46 -0.07 0.04 0.00 -2.36 0.00 0.00 39.78 37.85 1cil n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cil n GLY 12 N -0.17 -1.09 0.43 4.83 0.00 0.28 -1.59 105.19 107.87 1cil n GLY 12 Ca 0.01 -1.70 0.23 0.00 0.00 0.00 0.00 46.02 44.57 1cil n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cil h PRO 13 N 0.00 0.20 0.00 1.61 0.11 -1.85 0.12 132.00 132.19 1cil h PRO 13 Ca -0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1cil h PRO 13 Cb 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1cil h PRO 13 CO 0.07 0.13 0.00 1.05 -0.21 0.00 0.00 178.00 179.04 1cil h GLU 14 N 0.20 0.00 0.00 1.05 9.09 -1.94 -2.84 114.58 120.14 1cil h GLU 14 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1cil h GLU 14 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 1cil h GLU 14 CO -0.10 0.00 -1.39 0.72 0.05 0.00 0.00 179.01 178.30 1cil n HIS 15 N -2.68 0.22 0.26 2.06 8.25 0.42 -4.61 115.22 119.15 1cil n HIS 15 Ca 0.02 0.07 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 1cil n HIS 15 Cb 0.30 -0.47 0.69 0.00 1.12 0.00 0.00 29.99 31.63 1cil n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1cil h TRP 16 N 0.00 0.00 0.00 4.41 6.55 -1.47 -2.39 115.95 123.05 1cil h TRP 16 Ca 0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1cil h TRP 16 Cb 0.84 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.14 1cil h TRP 16 CO 0.00 0.00 -0.02 1.12 -1.05 0.00 0.00 178.44 178.49 1cil h HIS 17 N 0.00 0.00 -0.28 0.49 2.07 -1.80 0.45 115.15 116.08 1cil h HIS 17 Ca 0.01 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.38 1cil h HIS 17 Cb 0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.00 1cil h HIS 17 CO 0.00 0.02 -0.44 0.87 -3.07 0.00 0.00 177.93 175.31 1cil h LYS 18 N 0.00 0.71 0.00 5.12 1.57 -1.78 -2.83 116.57 119.36 1cil h LYS 18 Ca -0.00 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.27 1cil h LYS 18 Cb 0.08 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1cil h LYS 18 CO 0.00 1.00 -1.58 -0.25 -0.57 0.00 0.00 179.45 178.05 1cil n ASP 19 N -4.02 0.56 -3.61 0.86 8.00 -0.95 -4.71 116.55 112.67 1cil n ASP 19 Ca -0.02 0.24 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 1cil n ASP 19 Cb 0.55 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 42.26 1cil n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cil s PHE 20 N -3.08 2.03 0.63 1.24 0.08 0.11 -4.99 117.98 114.00 1cil s PHE 20 Ca -0.04 -2.64 0.29 0.00 0.12 0.00 0.00 56.93 54.65 1cil s PHE 20 Cb 0.10 -1.66 1.55 0.00 -0.57 0.00 0.00 43.02 42.43 1cil s PHE 20 CO 0.83 -0.73 1.91 -1.00 -0.10 0.00 0.00 175.22 176.13 1cil h PRO 21 N 5.80 0.00 0.00 0.24 0.13 -1.74 -0.41 132.00 136.02 1cil h PRO 21 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1cil h PRO 21 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1cil h PRO 21 CO 0.50 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.78 1cil n ILE 22 N -3.30 1.48 0.19 -3.56 3.06 -1.26 -2.27 119.36 113.71 1cil n ILE 22 Ca 0.03 0.38 0.18 0.00 -2.50 0.00 0.00 62.75 60.84 1cil n ILE 22 Cb 0.51 -1.26 0.81 0.00 0.54 0.00 0.00 39.64 40.23 1cil n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cil h ALA 23 N 2.24 1.79 -0.60 1.51 0.00 -1.38 0.26 119.26 123.09 1cil h ALA 23 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1cil h ALA 23 Cb 0.13 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.82 1cil h ALA 23 CO 0.00 -0.44 0.19 1.63 0.00 0.00 0.00 179.25 180.63 1cil n LYS 24 N -3.53 3.07 -0.60 0.00 5.02 -0.96 -4.97 118.16 116.19 1cil n LYS 24 Ca 0.03 -3.06 -0.11 0.00 -2.02 0.00 0.00 58.31 53.15 1cil n LYS 24 Cb 0.45 -2.07 0.08 0.00 -0.02 0.00 0.00 35.03 33.48 1cil n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cil n GLY 25 N -0.51 -1.77 0.05 0.72 0.00 0.92 -4.99 105.19 99.60 1cil n GLY 25 Ca 0.38 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1cil n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cil n GLU 26 N -2.34 0.21 -3.01 1.61 -0.58 -1.26 -4.33 120.64 110.93 1cil n GLU 26 Ca 0.06 0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 1cil n GLU 26 Cb 0.22 -1.64 -0.01 0.00 -0.57 0.00 0.00 31.44 29.44 1cil n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1cil n ARG 27 N -1.95 1.19 -2.99 3.49 1.85 -1.26 -4.65 116.66 112.34 1cil n ARG 27 Ca 0.04 -3.44 -0.32 0.00 -1.00 0.00 0.00 57.85 53.13 1cil n ARG 27 Cb 0.41 -1.62 -0.06 0.00 -1.05 0.00 0.00 32.46 30.15 1cil n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1cil s GLN 28 N -2.70 4.01 0.20 2.89 -1.52 -1.26 -2.58 119.66 118.69 1cil s GLN 28 Ca 0.37 0.75 0.09 0.00 -1.95 0.00 0.00 55.36 54.62 1cil s GLN 28 Cb 0.38 -2.36 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 1cil s GLN 28 CO -0.05 0.07 -0.18 -1.12 -0.25 0.00 0.00 175.29 173.76 1cil s SER 29 N -2.42 2.85 0.93 5.90 0.01 -1.26 -4.68 113.70 115.03 1cil s SER 29 Ca 0.56 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 56.73 1cil s SER 29 Cb -0.10 -0.18 0.18 0.00 0.21 0.00 0.00 66.02 66.13 1cil s SER 29 CO 0.19 -0.05 1.29 -2.16 0.41 0.00 0.00 173.24 172.93 1cil s PRO 30 N -3.13 0.89 0.20 12.44 0.04 -1.26 -4.55 135.00 139.62 1cil s PRO 30 Ca 0.20 -0.33 0.03 0.00 0.04 0.00 0.00 61.00 60.94 1cil s PRO 30 Cb -0.04 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1cil s PRO 30 CO 0.08 -2.26 -0.00 0.14 0.04 0.00 0.00 177.00 175.00 1cil s VAL 31 N -3.83 0.84 0.07 -0.36 -7.23 -1.26 -0.42 120.40 108.22 1cil s VAL 31 Ca 0.72 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.60 1cil s VAL 31 Cb -0.05 -2.20 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 1cil s VAL 31 CO 0.52 -0.42 0.89 -0.62 -0.31 0.00 0.00 175.10 175.16 1cil s ASP 32 N -3.23 7.37 -0.45 4.85 2.15 -1.26 -3.24 116.67 122.85 1cil s ASP 32 Ca 0.26 1.64 -0.19 0.00 0.43 0.00 0.00 52.55 54.69 1cil s ASP 32 Cb 0.06 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.17 1cil s ASP 32 CO 0.06 -0.06 0.55 -0.63 -0.17 0.00 0.00 175.17 174.91 1cil s ILE 33 N 0.13 4.96 -0.38 4.11 1.01 0.06 -4.95 121.20 126.13 1cil s ILE 33 Ca 0.44 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 1cil s ILE 33 Cb -0.22 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1cil s ILE 33 CO 0.27 -0.59 0.85 -0.62 0.00 0.00 0.00 174.94 174.85 1cil s ASP 34 N 2.14 6.58 0.54 3.58 -1.08 -1.26 -0.81 116.67 126.37 1cil s ASP 34 Ca 0.15 0.37 0.33 0.00 -0.52 0.00 0.00 52.55 52.89 1cil s ASP 34 Cb -0.17 -2.43 1.34 0.00 -1.46 0.00 0.00 42.92 40.20 1cil s ASP 34 CO 0.14 -0.83 1.97 0.71 0.52 0.00 0.00 175.17 177.69 1cil h THR 35 N 5.84 0.05 -0.01 1.71 1.35 -1.95 -1.82 112.91 118.08 1cil h THR 35 Ca -0.24 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1cil h THR 35 Cb 1.09 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1cil h THR 35 CO 0.96 0.02 -0.19 1.41 -0.25 0.00 0.00 175.52 177.46 1cil n HIS 36 N -3.12 0.00 0.14 4.73 8.25 -1.26 -3.91 115.22 120.04 1cil n HIS 36 Ca 0.01 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1cil n HIS 36 Cb 0.31 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1cil n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1cil n THR 37 N -0.76 0.00 -2.06 1.59 -1.04 -0.74 -5.01 114.28 106.26 1cil n THR 37 Ca 0.13 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.05 61.45 1cil n THR 37 Cb 0.32 0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 69.58 1cil n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cil s ALA 38 N -1.78 3.48 -0.25 2.41 0.00 -0.88 -4.83 121.76 119.91 1cil s ALA 38 Ca 0.00 1.30 -0.13 0.00 0.00 0.00 0.00 51.96 53.14 1cil s ALA 38 Cb 0.03 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1cil s ALA 38 CO 0.20 -0.72 0.27 0.15 0.00 0.00 0.00 175.76 175.65 1cil s LYS 39 N -1.89 4.04 0.11 0.00 -0.14 -0.45 -4.83 119.74 116.57 1cil s LYS 39 Ca 0.50 -0.11 -0.31 0.00 -1.36 0.00 0.00 55.97 54.69 1cil s LYS 39 Cb -0.41 -3.60 -0.09 0.00 -1.68 0.00 0.00 37.83 32.05 1cil s LYS 39 CO 0.54 -0.11 1.63 -0.47 -0.76 0.00 0.00 175.35 176.17 1cil s TYR 40 N 1.57 2.65 -0.30 3.18 5.04 -1.26 -0.23 117.35 128.00 1cil s TYR 40 Ca 0.11 0.42 0.03 0.00 -2.44 0.00 0.00 57.07 55.19 1cil s TYR 40 Cb -0.15 -3.96 0.08 0.00 0.35 0.00 0.00 41.96 38.28 1cil s TYR 40 CO 0.08 -3.74 -0.03 0.34 -1.34 0.00 0.00 175.55 170.86 1cil s ASP 41 N 1.95 4.64 0.65 4.32 -1.08 -0.55 -4.86 116.67 121.74 1cil s ASP 41 Ca 0.73 -1.70 0.42 0.00 -0.52 0.00 0.00 52.55 51.48 1cil s ASP 41 Cb -0.42 -1.60 2.30 0.00 -1.46 0.00 0.00 42.92 41.74 1cil s ASP 41 CO 0.32 -0.28 2.34 1.55 0.52 0.00 0.00 175.17 179.61 1cil h PRO 42 N 7.74 0.00 0.00 4.34 0.13 -1.93 -1.68 132.00 140.60 1cil h PRO 42 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1cil h PRO 42 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1cil h PRO 42 CO 0.50 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.04 1cil h SER 43 N 0.00 0.00 -2.94 1.44 0.02 -1.97 -3.44 113.55 106.66 1cil h SER 43 Ca -0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1cil h SER 43 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1cil h SER 43 CO 0.00 0.00 0.85 -0.22 -1.14 0.00 0.00 176.83 176.32 1cil s LEU 44 N -5.12 4.24 0.68 5.07 2.96 -0.63 -5.01 118.68 120.86 1cil s LEU 44 Ca 0.03 1.82 -0.11 0.00 -0.22 0.00 0.00 54.13 55.65 1cil s LEU 44 Cb 0.09 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 1cil s LEU 44 CO 0.44 -0.71 1.06 -0.54 -1.32 0.00 0.00 176.35 175.27 1cil s LYS 45 N 3.01 3.09 0.60 1.98 1.02 -1.24 -4.98 119.74 123.22 1cil s LYS 45 Ca 0.58 0.80 -0.19 0.00 0.02 0.00 0.00 55.97 57.19 1cil s LYS 45 Cb -0.25 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1cil s LYS 45 CO 0.19 -0.95 1.22 -2.14 -0.92 0.00 0.00 175.35 172.75 1cil s PRO 46 N -5.13 2.90 0.53 -1.68 0.02 -1.26 -3.13 135.00 127.25 1cil s PRO 46 Ca 0.57 1.84 -0.20 0.00 0.02 0.00 0.00 61.00 63.23 1cil s PRO 46 Cb -0.13 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1cil s PRO 46 CO 0.54 -1.26 1.14 -0.51 -0.33 0.00 0.00 177.00 176.58 1cil s LEU 47 N -4.14 3.79 -0.22 -5.54 1.43 -1.26 -1.43 118.68 111.30 1cil s LEU 47 Ca 0.78 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 1cil s LEU 47 Cb -0.31 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.44 1cil s LEU 47 CO 0.34 -1.17 -0.08 -0.55 0.23 0.00 0.00 176.35 175.12 1cil s SER 48 N -1.70 3.71 -0.34 2.29 0.15 -0.11 -4.86 113.70 112.84 1cil s SER 48 Ca 0.71 -1.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.23 1cil s SER 48 Cb -0.25 -1.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.86 1cil s SER 48 CO 0.28 -0.19 0.11 -0.69 1.20 0.00 0.00 173.24 173.96 1cil s VAL 49 N 1.36 3.87 -0.52 4.45 1.01 -1.26 -1.35 120.40 127.96 1cil s VAL 49 Ca -0.04 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1cil s VAL 49 Cb -0.18 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 33.16 1cil s VAL 49 CO -0.07 -0.16 0.29 -0.44 0.00 0.00 0.00 175.10 174.72 1cil s SER 50 N 1.42 4.77 0.00 3.32 0.01 0.01 -4.88 113.70 118.35 1cil s SER 50 Ca -0.01 -2.77 0.08 0.00 1.31 0.00 0.00 55.95 54.56 1cil s SER 50 Cb -0.19 -1.73 0.22 0.00 0.21 0.00 0.00 66.02 64.53 1cil s SER 50 CO 0.03 -0.32 1.16 -1.22 0.41 0.00 0.00 173.24 173.30 1cil n TYR 51 N 3.50 0.33 0.22 2.43 4.01 -1.26 -1.41 117.16 124.98 1cil n TYR 51 Ca 0.05 -0.46 0.06 0.00 -0.16 0.00 0.00 57.90 57.39 1cil n TYR 51 Cb 0.36 -0.03 0.50 0.00 -0.31 0.00 0.00 39.34 39.86 1cil n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cil h ASP 52 N 1.57 0.00 -0.47 7.72 2.03 -1.90 -2.49 116.42 122.88 1cil h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1cil h ASP 52 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1cil h ASP 52 CO 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 179.24 178.45 1cil n GLN 53 N -4.06 2.18 -1.68 4.15 3.00 -1.26 -4.99 117.38 114.72 1cil n GLN 53 Ca -0.02 -1.72 -0.44 0.00 -0.01 0.00 0.00 57.00 54.81 1cil n GLN 53 Cb 0.31 -1.40 -0.02 0.00 0.00 0.00 0.00 30.24 29.13 1cil n GLN 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cil n ALA 54 N 0.86 1.33 -4.03 -1.58 0.00 -0.94 -4.59 120.51 111.56 1cil n ALA 54 Ca 0.16 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.68 1cil n ALA 54 Cb 0.43 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.43 1cil n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cil s THR 55 N -0.23 2.26 0.44 0.00 2.01 -1.26 -4.93 115.64 113.93 1cil s THR 55 Ca 0.65 -2.09 -0.17 0.00 0.31 0.00 0.00 61.69 60.40 1cil s THR 55 Cb -0.62 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 1cil s THR 55 CO 0.52 -0.40 0.90 -0.94 -0.69 0.00 0.00 174.62 174.01 1cil s SER 56 N 0.98 6.73 0.00 3.53 1.04 -1.26 -0.92 113.70 123.80 1cil s SER 56 Ca 0.04 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1cil s SER 56 Cb -0.19 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1cil s SER 56 CO -0.07 -0.43 0.00 0.18 0.98 0.00 0.00 173.24 173.90 1cil n LEU 57 N -1.06 1.57 -3.61 2.42 4.77 0.14 -3.98 117.00 117.25 1cil n LEU 57 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 1cil n LEU 57 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1cil n LEU 57 CO 0.43 0.25 0.24 -0.60 -1.33 0.00 0.00 177.39 176.37 1cil s ARG 58 N -1.96 0.96 -0.02 3.23 3.52 -1.22 -0.74 118.95 122.73 1cil s ARG 58 Ca 0.00 -0.19 0.07 0.00 -0.13 0.00 0.00 55.73 55.47 1cil s ARG 58 Cb 0.00 0.44 -0.02 0.00 -1.56 0.00 0.00 34.95 33.81 1cil s ARG 58 CO 0.00 -0.33 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.44 1cil s ILE 59 N -2.14 1.76 -0.01 4.11 2.07 -0.39 -0.67 121.20 125.93 1cil s ILE 59 Ca -0.07 -0.95 -0.00 0.00 -1.41 0.00 0.00 60.65 58.22 1cil s ILE 59 Cb -0.01 -1.46 0.01 0.00 0.13 0.00 0.00 42.46 41.13 1cil s ILE 59 CO 0.01 0.50 0.01 -0.22 -1.91 0.00 0.00 174.94 173.33 1cil s LEU 60 N -0.47 1.65 -0.39 8.50 2.96 -0.19 -1.44 118.68 129.31 1cil s LEU 60 Ca 0.07 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.82 1cil s LEU 60 Cb -0.09 -0.02 0.01 0.00 0.50 0.00 0.00 46.19 46.59 1cil s LEU 60 CO -0.00 -0.05 0.50 0.21 -1.32 0.00 0.00 176.35 175.69 1cil s ASN 61 N 0.40 6.26 -0.08 3.68 3.84 -0.40 -0.69 114.94 127.96 1cil s ASN 61 Ca -0.03 -0.33 0.20 0.00 0.21 0.00 0.00 52.86 52.90 1cil s ASN 61 Cb -0.05 -2.26 0.70 0.00 -0.55 0.00 0.00 41.25 39.09 1cil s ASN 61 CO -0.01 -0.57 1.60 -0.46 -2.79 0.00 0.00 177.10 174.87 1cil n ASN 62 N 5.79 4.51 0.00 -4.21 0.23 -0.98 -0.75 115.26 119.84 1cil n ASN 62 Ca -0.05 -2.31 0.00 0.00 -0.53 0.00 0.00 54.58 51.69 1cil n ASN 62 Cb 0.48 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1cil n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cil n GLY 63 N 1.27 1.53 0.00 4.83 0.00 -1.26 -4.78 105.19 106.78 1cil n GLY 63 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1cil n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cil n HIS 64 N -2.00 0.00 -3.30 1.61 8.25 -1.26 -4.75 115.22 113.77 1cil n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1cil n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1cil n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cil n ALA 65 N -1.88 0.00 -2.33 -1.41 0.00 -1.26 -4.90 120.51 108.72 1cil n ALA 65 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1cil n ALA 65 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 1cil n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1cil s PHE 66 N -6.15 2.35 -0.05 0.00 -0.71 -1.26 -2.33 117.98 109.83 1cil s PHE 66 Ca 0.00 -0.41 0.04 0.00 -1.04 0.00 0.00 56.93 55.51 1cil s PHE 66 Cb 0.00 -1.47 -0.02 0.00 -1.21 0.00 0.00 43.02 40.31 1cil s PHE 66 CO 0.00 0.02 -0.16 -0.80 -1.34 0.00 0.00 175.22 172.95 1cil s ASN 67 N -0.81 3.88 -0.24 1.98 0.02 0.14 -4.25 114.94 115.66 1cil s ASN 67 Ca 0.11 -0.25 -0.09 0.00 -1.02 0.00 0.00 52.86 51.61 1cil s ASN 67 Cb -0.10 -0.85 -0.04 0.00 0.02 0.00 0.00 41.25 40.28 1cil s ASN 67 CO 0.00 0.33 0.12 -0.69 0.02 0.00 0.00 177.10 176.88 1cil s VAL 68 N -0.61 4.93 -0.03 1.60 1.01 -0.14 -1.02 120.40 126.13 1cil s VAL 68 Ca 0.09 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.05 1cil s VAL 68 Cb -0.11 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1cil s VAL 68 CO 0.01 0.34 0.20 -1.61 0.00 0.00 0.00 175.10 174.03 1cil s GLU 69 N 1.29 3.48 0.15 2.72 2.02 0.16 -1.52 118.70 127.00 1cil s GLU 69 Ca 0.06 -0.20 0.10 0.00 0.02 0.00 0.00 54.97 54.95 1cil s GLU 69 Cb -0.14 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 1cil s GLU 69 CO 0.05 0.70 -0.17 -0.06 0.02 0.00 0.00 175.26 175.80 1cil s PHE 70 N -1.24 2.51 -0.22 1.61 0.40 -0.30 -0.68 117.98 120.05 1cil s PHE 70 Ca 0.24 -0.27 -0.29 0.00 -0.60 0.00 0.00 56.93 56.00 1cil s PHE 70 Cb -0.13 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 1cil s PHE 70 CO 0.14 0.45 1.39 0.34 0.70 0.00 0.00 175.22 178.24 1cil s ASP 71 N -2.48 6.68 -0.27 1.36 2.15 -0.09 -4.84 116.67 119.18 1cil s ASP 71 Ca 0.21 1.53 0.09 0.00 0.43 0.00 0.00 52.55 54.80 1cil s ASP 71 Cb -0.09 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.45 1cil s ASP 71 CO 0.12 -1.01 1.34 -0.90 -0.17 0.00 0.00 175.17 174.54 1cil n ASP 72 N 7.48 2.81 0.06 -0.34 5.75 -1.26 -4.67 116.55 126.38 1cil n ASP 72 Ca 0.16 -3.84 0.13 0.00 -0.01 0.00 0.00 54.79 51.23 1cil n ASP 72 Cb 0.45 -0.55 0.48 0.00 -1.03 0.00 0.00 41.12 40.48 1cil n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1cil n SER 73 N -1.04 0.47 -3.95 -1.12 3.41 -1.26 -4.85 113.62 105.27 1cil n SER 73 Ca 0.31 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1cil n SER 73 Cb 0.87 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1cil n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cil s GLN 74 N -3.08 1.23 -0.95 4.33 -0.21 -1.26 -5.07 119.66 114.65 1cil s GLN 74 Ca 0.11 -1.17 -0.21 0.00 0.02 0.00 0.00 55.36 54.11 1cil s GLN 74 Cb 0.14 0.40 -0.11 0.00 1.00 0.00 0.00 33.01 34.44 1cil s GLN 74 CO 0.54 -0.47 1.95 -0.25 -2.12 0.00 0.00 175.29 174.94 1cil n ASP 75 N -0.25 2.90 -0.09 5.90 8.00 -1.26 -4.64 116.55 127.11 1cil n ASP 75 Ca -0.06 -2.71 -0.15 0.00 0.71 0.00 0.00 54.79 52.58 1cil n ASP 75 Cb 0.63 -1.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.33 1cil n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cil n LYS 76 N 7.21 0.52 -4.06 -1.24 5.02 -1.26 -4.84 118.16 119.51 1cil n LYS 76 Ca 0.49 0.52 -0.33 0.00 -2.02 0.00 0.00 58.31 56.98 1cil n LYS 76 Cb 0.42 -1.70 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 1cil n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cil s ALA 77 N -2.55 2.52 0.13 7.82 0.00 -1.26 -3.99 121.76 124.44 1cil s ALA 77 Ca -0.24 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 50.21 1cil s ALA 77 Cb 0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1cil s ALA 77 CO 0.42 -0.88 -0.10 0.14 0.00 0.00 0.00 175.76 175.35 1cil s VAL 78 N 1.20 1.08 -0.07 0.00 -7.23 -0.50 -1.18 120.40 113.70 1cil s VAL 78 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1cil s VAL 78 Cb -0.17 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.99 1cil s VAL 78 CO -0.07 -0.75 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.54 1cil s LEU 79 N -3.08 1.99 0.28 1.32 2.96 -0.27 -0.81 118.68 121.08 1cil s LEU 79 Ca 0.15 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1cil s LEU 79 Cb 0.02 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1cil s LEU 79 CO -0.00 0.16 0.28 -0.54 -1.32 0.00 0.00 176.35 174.93 1cil s LYS 80 N 0.21 1.59 2.45 1.98 1.02 -0.46 -1.86 119.74 124.67 1cil s LYS 80 Ca -0.12 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 54.08 1cil s LYS 80 Cb -0.16 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1cil s LYS 80 CO 0.06 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1cil n GLY 81 N -0.48 -0.84 7.00 -3.33 0.00 -1.26 -0.94 105.19 105.34 1cil n GLY 81 Ca 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1cil n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cil n GLY 82 N 0.00 3.14 0.09 -0.02 0.00 -0.52 -1.15 105.19 106.74 1cil n GLY 82 Ca 0.00 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1cil n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cil n PRO 83 N 14.00 1.13 -3.37 1.61 -0.04 -1.26 -3.74 135.00 143.33 1cil n PRO 83 Ca 0.00 -0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 62.94 1cil n PRO 83 Cb 0.00 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 1cil n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cil s LEU 84 N -1.93 4.21 -0.16 1.53 1.43 -0.30 -5.07 118.68 118.39 1cil s LEU 84 Ca 0.43 1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 54.51 1cil s LEU 84 Cb 0.20 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1cil s LEU 84 CO 0.34 -0.03 -0.07 -1.81 0.23 0.00 0.00 176.35 175.01 1cil s ASP 85 N -2.16 4.48 0.00 2.29 1.01 -1.26 -4.39 116.67 116.64 1cil s ASP 85 Ca 0.45 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1cil s ASP 85 Cb -0.12 -1.72 0.00 0.00 1.01 0.00 0.00 42.92 42.08 1cil s ASP 85 CO 0.20 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.33 1cil n GLY 86 N 3.75 -3.70 3.51 0.21 0.00 -1.26 -4.94 105.19 102.76 1cil n GLY 86 Ca -0.18 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1cil n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cil s THR 87 N -0.85 3.84 -0.15 2.61 2.01 -1.26 -4.59 115.64 117.25 1cil s THR 87 Ca 0.00 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1cil s THR 87 Cb 0.00 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.85 1cil s THR 87 CO 0.00 0.52 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.98 1cil s TYR 88 N 0.12 2.77 -0.03 4.92 1.51 -0.78 -1.71 117.35 124.15 1cil s TYR 88 Ca -0.01 -1.03 -0.16 0.00 -1.01 0.00 0.00 57.07 54.86 1cil s TYR 88 Cb -0.14 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 1cil s TYR 88 CO 0.03 -0.46 0.45 1.03 -1.11 0.00 0.00 175.55 175.49 1cil s ARG 89 N 0.76 4.10 0.12 -0.62 0.52 -0.38 -1.12 118.95 122.33 1cil s ARG 89 Ca -0.06 0.46 -0.31 0.00 -0.52 0.00 0.00 55.73 55.30 1cil s ARG 89 Cb -0.15 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 31.94 1cil s ARG 89 CO 0.01 0.51 1.41 -1.17 0.02 0.00 0.00 175.30 176.08 1cil s LEU 90 N -0.53 4.37 -0.05 2.53 2.96 -0.32 -1.35 118.68 126.28 1cil s LEU 90 Ca 0.25 2.35 0.02 0.00 -0.22 0.00 0.00 54.13 56.54 1cil s LEU 90 Cb -0.17 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1cil s LEU 90 CO 0.13 -0.67 -0.02 0.00 -1.32 0.00 0.00 176.35 174.47 1cil n ILE 91 N 3.95 0.34 -3.46 6.68 3.06 -0.51 -4.55 119.36 124.88 1cil n ILE 91 Ca 0.12 -0.17 -0.10 0.00 -2.50 0.00 0.00 62.75 60.09 1cil n ILE 91 Cb 0.42 -0.80 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 1cil n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1cil s GLN 92 N -2.12 1.05 0.10 9.51 1.03 -1.22 -1.15 119.66 126.85 1cil s GLN 92 Ca -0.05 -0.37 0.04 0.00 0.04 0.00 0.00 55.36 55.02 1cil s GLN 92 Cb 0.02 0.48 -0.04 0.00 0.03 0.00 0.00 33.01 33.51 1cil s GLN 92 CO 0.17 -0.46 -0.10 -0.59 -2.54 0.00 0.00 175.29 171.78 1cil s PHE 93 N -3.36 1.06 0.28 9.60 -0.12 -0.57 -1.00 117.98 123.87 1cil s PHE 93 Ca 0.03 -0.66 -0.14 0.00 -0.05 0.00 0.00 56.93 56.10 1cil s PHE 93 Cb -0.01 -0.58 0.01 0.00 -0.63 0.00 0.00 43.02 41.81 1cil s PHE 93 CO -0.10 -0.00 0.56 -3.38 -0.05 0.00 0.00 175.22 172.25 1cil s HIS 94 N -2.50 0.29 0.21 3.49 -3.43 -0.77 -0.97 115.29 111.61 1cil s HIS 94 Ca 0.06 -0.69 0.08 0.00 -0.80 0.00 0.00 55.06 53.71 1cil s HIS 94 Cb -0.02 0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1cil s HIS 94 CO -0.00 -1.12 -0.15 -0.06 -2.00 0.00 0.00 174.74 171.40 1cil s PHE 95 N -3.72 1.79 -0.04 0.38 0.40 -1.26 -0.60 117.98 114.93 1cil s PHE 95 Ca 0.20 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1cil s PHE 95 Cb -0.02 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 1cil s PHE 95 CO 0.10 0.40 -0.19 -1.01 0.70 0.00 0.00 175.22 175.23 1cil s HIS 96 N -2.88 1.81 0.26 0.36 3.76 0.06 -4.74 115.29 113.92 1cil s HIS 96 Ca 0.23 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 54.60 1cil s HIS 96 Cb -0.01 -1.20 -0.01 0.00 1.11 0.00 0.00 32.58 32.47 1cil s HIS 96 CO 0.08 -0.13 0.41 1.67 -0.85 0.00 0.00 174.74 175.92 1cil s TRP 97 N -0.15 0.68 0.45 1.40 -2.14 -1.22 -0.99 118.94 116.97 1cil s TRP 97 Ca -0.00 -0.99 0.07 0.00 2.66 0.00 0.00 56.10 57.84 1cil s TRP 97 Cb -0.10 -0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.23 1cil s TRP 97 CO 0.01 -0.96 0.27 0.20 -2.66 0.00 0.00 176.95 173.81 1cil s GLY 98 N -3.10 2.33 0.18 3.67 0.00 -1.18 -1.20 107.32 108.02 1cil s GLY 98 Ca 0.28 -1.80 0.26 0.00 0.00 0.00 0.00 44.72 43.45 1cil s GLY 98 CO 0.12 -1.88 1.66 -1.14 0.00 0.00 0.00 173.10 171.86 1cil n SER 99 N -1.43 0.77 -4.00 1.64 3.41 -1.26 -4.41 113.62 108.33 1cil n SER 99 Ca -0.01 0.45 -0.08 0.00 -0.26 0.00 0.00 58.87 58.97 1cil n SER 99 Cb 0.64 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 1cil n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cil s LEU 100 N -4.41 2.19 0.47 1.04 1.43 -1.26 -5.06 118.68 113.07 1cil s LEU 100 Ca 0.10 -0.69 0.32 0.00 -1.03 0.00 0.00 54.13 52.83 1cil s LEU 100 Cb 0.13 0.30 1.57 0.00 0.03 0.00 0.00 46.19 48.21 1cil s LEU 100 CO 0.63 -0.48 1.97 0.44 0.23 0.00 0.00 176.35 179.14 1cil h ASP 101 N 3.79 0.00 -0.48 2.29 3.32 -1.93 -2.62 116.42 120.80 1cil h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1cil h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1cil h ASP 101 CO 0.53 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1cil n GLY 102 N -0.63 2.02 3.35 2.75 0.00 -1.26 -3.64 105.19 107.78 1cil n GLY 102 Ca -0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1cil n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cil s GLN 103 N -1.76 1.13 0.00 1.61 -2.07 -0.99 -4.69 119.66 112.89 1cil s GLN 103 Ca 0.38 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 1cil s GLN 103 Cb 0.24 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.59 1cil s GLN 103 CO 0.18 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 1cil n GLY 104 N -0.22 2.97 3.82 2.60 0.00 -1.08 -3.26 105.19 110.02 1cil n GLY 104 Ca -0.12 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1cil n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cil s SER 105 N 0.00 5.40 -0.19 1.61 1.04 -0.62 -3.45 113.70 117.50 1cil s SER 105 Ca 0.00 1.64 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 1cil s SER 105 Cb 0.00 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 1cil s SER 105 CO 0.00 -1.43 -0.19 -0.62 0.98 0.00 0.00 173.24 171.98 1cil n GLU 106 N -3.03 0.52 -2.04 4.02 1.02 -1.26 -4.85 120.64 115.02 1cil n GLU 106 Ca 0.08 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.27 1cil n GLU 106 Cb 0.53 -1.59 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1cil n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1cil s HIS 107 N -2.51 2.68 0.18 -0.32 3.76 -1.26 -4.43 115.29 113.39 1cil s HIS 107 Ca -0.26 1.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.26 1cil s HIS 107 Cb 0.05 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.49 1cil s HIS 107 CO 0.39 -1.56 -0.13 0.95 -0.85 0.00 0.00 174.74 173.54 1cil s THR 108 N -2.07 1.49 -0.21 1.30 -4.23 -1.20 -4.72 115.64 106.00 1cil s THR 108 Ca 0.69 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1cil s THR 108 Cb -0.22 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.73 1cil s THR 108 CO 0.34 -0.64 -0.12 -0.69 -0.54 0.00 0.00 174.62 172.96 1cil s VAL 109 N -3.05 1.85 -1.52 2.29 1.01 -0.82 -0.76 120.40 119.41 1cil s VAL 109 Ca 0.19 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1cil s VAL 109 Cb 0.00 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.55 1cil s VAL 109 CO 0.04 0.18 0.52 0.47 0.00 0.00 0.00 175.10 176.32 1cil n ASP 110 N 4.61 -1.29 0.00 3.32 8.00 0.01 -0.67 116.55 130.53 1cil n ASP 110 Ca -0.16 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1cil n ASP 110 Cb 0.46 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.68 1cil n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cil n LYS 111 N -4.42 -0.70 -2.45 -1.24 4.76 -1.26 -4.98 118.16 107.86 1cil n LYS 111 Ca -0.18 0.18 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1cil n LYS 111 Cb 0.62 -4.28 -0.03 0.00 -1.84 0.00 0.00 35.03 29.50 1cil n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1cil s LYS 112 N -1.13 4.43 -0.06 1.97 2.20 0.16 -5.00 119.74 122.31 1cil s LYS 112 Ca 0.00 1.73 -0.09 0.00 -0.36 0.00 0.00 55.97 57.25 1cil s LYS 112 Cb 0.00 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1cil s LYS 112 CO 0.00 -0.27 0.24 0.15 -0.36 0.00 0.00 175.35 175.11 1cil s LYS 113 N 1.24 3.59 0.47 4.03 1.02 -1.26 -1.94 119.74 126.90 1cil s LYS 113 Ca 0.58 0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.66 1cil s LYS 113 Cb -0.28 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1cil s LYS 113 CO 0.28 0.73 0.52 0.71 -0.92 0.00 0.00 175.35 176.67 1cil s TYR 114 N -1.11 2.26 0.20 3.18 1.51 -1.26 -4.69 117.35 117.44 1cil s TYR 114 Ca 0.20 -0.58 0.17 0.00 -1.01 0.00 0.00 57.07 55.86 1cil s TYR 114 Cb -0.13 -2.19 0.65 0.00 -0.11 0.00 0.00 41.96 40.17 1cil s TYR 114 CO 0.09 -0.49 1.73 0.00 -1.11 0.00 0.00 175.55 175.77 1cil h ALA 115 N 0.69 1.01 -2.63 3.71 0.00 -1.39 -1.59 119.26 119.07 1cil h ALA 115 Ca -0.38 -0.37 0.13 0.00 0.00 0.00 0.00 54.91 54.30 1cil h ALA 115 Cb 1.28 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1cil h ALA 115 CO 0.51 0.51 0.38 0.00 0.00 0.00 0.00 179.25 180.64 1cil s ALA 116 N -3.65 -1.46 -0.06 0.00 0.00 -1.15 -3.10 121.76 112.34 1cil s ALA 116 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1cil s ALA 116 Cb 0.11 0.73 0.04 0.00 0.00 0.00 0.00 23.12 24.00 1cil s ALA 116 CO 0.70 -1.04 0.13 -2.00 0.00 0.00 0.00 175.76 173.55 1cil s GLU 117 N -3.54 0.07 -0.13 0.00 2.12 -0.16 -1.56 118.70 115.50 1cil s GLU 117 Ca 0.12 0.37 -0.15 0.00 0.36 0.00 0.00 54.97 55.67 1cil s GLU 117 Cb -0.03 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 1cil s GLU 117 CO 0.04 -0.18 0.35 -1.17 -0.54 0.00 0.00 175.26 173.76 1cil s LEU 118 N 1.28 4.28 -0.21 2.70 2.96 0.15 -0.76 118.68 129.08 1cil s LEU 118 Ca -0.08 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.48 1cil s LEU 118 Cb -0.12 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.13 1cil s LEU 118 CO -0.06 0.11 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.93 1cil s HIS 119 N 0.28 2.96 -0.32 5.38 3.76 0.23 -1.18 115.29 126.39 1cil s HIS 119 Ca 0.20 -1.81 -0.11 0.00 -0.15 0.00 0.00 55.06 53.19 1cil s HIS 119 Cb -0.14 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1cil s HIS 119 CO 0.07 -0.81 0.19 -0.51 -0.85 0.00 0.00 174.74 172.82 1cil s LEU 120 N 1.25 4.28 -0.23 0.89 1.43 -0.31 -1.85 118.68 124.14 1cil s LEU 120 Ca 0.00 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1cil s LEU 120 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1cil s LEU 120 CO -0.09 -0.21 0.15 -0.69 0.23 0.00 0.00 176.35 175.74 1cil s VAL 121 N 1.66 5.34 0.07 -1.59 1.01 -0.17 -1.27 120.40 125.45 1cil s VAL 121 Ca 0.05 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1cil s VAL 121 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1cil s VAL 121 CO 0.08 0.37 -0.18 -1.00 0.00 0.00 0.00 175.10 174.37 1cil s HIS 122 N 0.91 1.54 0.06 5.22 3.76 -0.31 -1.42 115.29 125.06 1cil s HIS 122 Ca 0.07 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.65 1cil s HIS 122 Cb -0.13 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.66 1cil s HIS 122 CO 0.03 0.12 -0.22 1.67 -0.85 0.00 0.00 174.74 175.49 1cil s TRP 123 N -1.09 1.90 -0.31 1.40 1.48 -0.46 -1.13 118.94 120.74 1cil s TRP 123 Ca 0.03 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.40 1cil s TRP 123 Cb -0.09 -1.11 -0.01 0.00 -1.16 0.00 0.00 33.47 31.10 1cil s TRP 123 CO 0.03 0.14 1.50 1.21 -4.06 0.00 0.00 176.95 175.77 1cil s ASN 124 N -1.41 6.37 0.31 -2.66 3.84 0.23 -1.24 114.94 120.38 1cil s ASN 124 Ca 0.08 1.25 0.24 0.00 0.21 0.00 0.00 52.86 54.64 1cil s ASN 124 Cb -0.09 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 39.20 1cil s ASN 124 CO 0.03 -1.32 1.73 0.71 -2.79 0.00 0.00 177.10 175.45 1cil h THR 125 N 6.28 0.00 0.00 -5.21 1.35 -1.68 -2.39 112.91 111.27 1cil h THR 125 Ca -0.30 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1cil h THR 125 Cb 1.13 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1cil h THR 125 CO 1.04 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.38 1cil h LYS 127 N 0.00 0.00 -0.10 4.72 2.10 -1.91 -1.19 116.57 120.18 1cil h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cil h LYS 127 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1cil h LYS 127 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1cil n TYR 128 N -2.67 0.12 0.00 0.07 4.01 -0.90 -4.97 117.16 112.83 1cil n TYR 128 Ca -0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1cil n TYR 128 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1cil n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cil n GLY 129 N 1.13 0.90 3.29 2.72 0.00 -0.45 -4.61 105.19 108.16 1cil n GLY 129 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1cil n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1cil s ASP 130 N 0.00 0.12 0.13 1.61 1.47 -1.26 -5.07 116.67 113.67 1cil s ASP 130 Ca 0.00 -1.10 -0.18 0.00 1.18 0.00 0.00 52.55 52.45 1cil s ASP 130 Cb 0.00 0.40 -0.03 0.00 -0.34 0.00 0.00 42.92 42.96 1cil s ASP 130 CO 0.00 -0.87 1.73 0.15 0.68 0.00 0.00 175.17 176.86 1cil h PHE 131 N 2.61 0.44 -0.39 2.11 3.57 -1.95 -2.21 116.94 121.13 1cil h PHE 131 Ca -0.33 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.23 1cil h PHE 131 Cb 1.23 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1cil h PHE 131 CO 0.40 0.36 0.27 0.78 -2.23 0.00 0.00 178.31 177.88 1cil h GLY 132 N 0.40 0.29 1.35 2.40 0.00 -1.97 -1.24 103.07 104.30 1cil h GLY 132 Ca 0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 47.33 47.07 1cil h GLY 132 CO -0.02 0.07 -1.20 0.50 0.00 0.00 0.00 176.54 175.89 1cil h LYS 133 N 0.22 0.54 -0.83 4.80 1.79 -1.72 -3.33 116.57 118.04 1cil h LYS 133 Ca 0.18 -0.72 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 1cil h LYS 133 Cb 0.41 0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 1cil h LYS 133 CO -0.03 1.31 0.46 0.00 -1.08 0.00 0.00 179.45 180.11 1cil h ALA 134 N 0.41 1.26 0.00 3.86 0.00 -0.66 -2.29 119.26 121.84 1cil h ALA 134 Ca -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cil h ALA 134 Cb 1.87 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1cil h ALA 134 CO 0.22 0.61 0.00 1.33 0.00 0.00 0.00 179.25 181.41 1cil n VAL 135 N -4.35 1.01 1.03 0.00 0.24 -0.82 -1.70 118.33 113.75 1cil n VAL 135 Ca 0.09 0.39 0.07 0.00 -2.04 0.00 0.00 64.34 62.85 1cil n VAL 135 Cb 0.09 -1.32 0.22 0.00 -1.47 0.00 0.00 33.84 31.36 1cil n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cil n GLN 136 N -2.07 1.75 -4.43 7.34 6.02 -0.86 -4.68 117.38 120.45 1cil n GLN 136 Ca 0.01 -1.16 -0.26 0.00 -0.01 0.00 0.00 57.00 55.58 1cil n GLN 136 Cb 0.15 -1.30 -0.13 0.00 1.02 0.00 0.00 30.24 29.98 1cil n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cil s GLN 137 N -1.63 1.31 0.59 -1.09 -1.52 -0.69 -5.03 119.66 111.62 1cil s GLN 137 Ca 0.26 -1.18 0.37 0.00 -1.95 0.00 0.00 55.36 52.86 1cil s GLN 137 Cb 0.13 -1.62 1.80 0.00 -0.22 0.00 0.00 33.01 33.10 1cil s GLN 137 CO 0.19 0.39 2.15 -1.00 -0.25 0.00 0.00 175.29 176.76 1cil h PRO 138 N 4.20 0.00 -0.21 2.91 0.13 -1.86 -2.09 132.00 135.08 1cil h PRO 138 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1cil h PRO 138 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1cil h PRO 138 CO 0.40 0.02 -0.66 -0.40 -0.23 0.00 0.00 178.00 177.13 1cil n ASP 139 N -3.16 2.47 0.10 1.44 5.75 -1.26 -4.24 116.55 117.65 1cil n ASP 139 Ca -0.01 -3.62 -0.15 0.00 -0.01 0.00 0.00 54.79 51.00 1cil n ASP 139 Cb 0.21 -0.46 -0.12 0.00 -1.03 0.00 0.00 41.12 39.72 1cil n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cil h GLY 140 N 1.37 0.33 -3.38 6.12 0.00 -1.22 -3.43 103.07 102.85 1cil h GLY 140 Ca 0.07 -0.77 -0.58 0.00 0.00 0.00 0.00 47.33 46.05 1cil h GLY 140 CO 0.21 0.67 -0.81 1.08 0.00 0.00 0.00 176.54 177.70 1cil s LEU 141 N -7.25 2.42 -0.09 3.11 1.43 -0.36 -0.60 118.68 117.33 1cil s LEU 141 Ca -0.04 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 1cil s LEU 141 Cb 0.07 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.34 1cil s LEU 141 CO 0.88 0.04 -0.09 0.00 0.23 0.00 0.00 176.35 177.41 1cil s ALA 142 N -1.77 1.29 -0.14 4.21 0.00 -0.28 -1.19 121.76 123.88 1cil s ALA 142 Ca 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1cil s ALA 142 Cb -0.07 -0.77 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1cil s ALA 142 CO 0.07 -0.21 -0.18 0.08 0.00 0.00 0.00 175.76 175.52 1cil s VAL 143 N 1.30 2.49 -0.26 0.00 1.01 -0.93 -1.16 120.40 122.85 1cil s VAL 143 Ca -0.03 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1cil s VAL 143 Cb -0.14 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1cil s VAL 143 CO -0.04 0.53 0.52 -0.22 0.00 0.00 0.00 175.10 175.89 1cil s LEU 144 N 0.62 4.05 -0.12 3.92 2.96 -0.40 -1.38 118.68 128.34 1cil s LEU 144 Ca -0.10 0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 1cil s LEU 144 Cb -0.16 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1cil s LEU 144 CO 0.03 -0.28 -0.05 -0.83 -1.32 0.00 0.00 176.35 173.89 1cil s GLY 145 N 1.53 1.71 -0.05 7.98 0.00 0.16 -1.16 107.32 117.49 1cil s GLY 145 Ca 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1cil s GLY 145 CO 0.09 -0.33 -0.09 -0.42 0.00 0.00 0.00 173.10 172.35 1cil s ILE 146 N -0.16 0.89 0.27 0.90 1.01 -0.33 -1.03 121.20 122.75 1cil s ILE 146 Ca 0.03 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.13 1cil s ILE 146 Cb -0.13 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1cil s ILE 146 CO 0.03 0.30 0.79 -0.36 0.00 0.00 0.00 174.94 175.70 1cil s PHE 147 N 0.72 3.60 -0.12 3.97 0.08 -1.26 -0.68 117.98 124.30 1cil s PHE 147 Ca -0.13 1.48 0.01 0.00 0.12 0.00 0.00 56.93 58.41 1cil s PHE 147 Cb -0.15 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.59 1cil s PHE 147 CO 0.02 0.25 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.72 1cil s LEU 148 N -2.20 2.53 0.23 -0.37 1.02 -0.60 -0.75 118.68 118.54 1cil s LEU 148 Ca 0.47 -0.39 0.11 0.00 0.02 0.00 0.00 54.13 54.34 1cil s LEU 148 Cb -0.16 -1.55 -0.05 0.00 0.02 0.00 0.00 46.19 44.46 1cil s LEU 148 CO 0.21 0.17 -0.18 -1.59 0.02 0.00 0.00 176.35 174.98 1cil s LYS 149 N 0.30 1.74 -0.03 1.70 -2.85 -0.36 -1.69 119.74 118.56 1cil s LYS 149 Ca -0.12 -1.57 -0.22 0.00 -1.00 0.00 0.00 55.97 53.05 1cil s LYS 149 Cb -0.16 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.67 1cil s LYS 149 CO 0.06 0.37 0.66 0.08 0.10 0.00 0.00 175.35 176.62 1cil s VAL 150 N -2.08 4.95 0.00 1.79 1.01 -1.26 -1.27 120.40 123.54 1cil s VAL 150 Ca 0.26 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1cil s VAL 150 Cb -0.07 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1cil s VAL 150 CO 0.14 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1cil n GLY 151 N 2.75 0.24 3.82 4.51 0.00 0.07 -4.86 105.19 111.72 1cil n GLY 151 Ca -0.04 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 1cil n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cil s SER 152 N 2.00 6.13 0.52 1.61 0.01 -1.26 -4.01 113.70 118.71 1cil s SER 152 Ca 0.00 1.73 -0.21 0.00 1.31 0.00 0.00 55.95 58.78 1cil s SER 152 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 1cil s SER 152 CO 0.00 -0.93 1.23 0.00 0.41 0.00 0.00 173.24 173.95 1cil s ALA 153 N -2.49 2.80 -0.41 1.44 0.00 -1.26 -2.60 121.76 119.24 1cil s ALA 153 Ca 0.62 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 1cil s ALA 153 Cb -0.14 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1cil s ALA 153 CO 0.34 -1.00 0.29 0.21 0.00 0.00 0.00 175.76 175.60 1cil s LYS 154 N -2.95 2.91 0.22 0.00 2.47 -1.24 -4.78 119.74 116.38 1cil s LYS 154 Ca 0.70 -1.12 -0.07 0.00 -1.56 0.00 0.00 55.97 53.91 1cil s LYS 154 Cb -0.32 -3.94 0.33 0.00 -1.46 0.00 0.00 37.83 32.44 1cil s LYS 154 CO 0.38 -0.80 1.77 -1.35 0.16 0.00 0.00 175.35 175.50 1cil h PRO 155 N 8.60 0.53 0.00 4.03 0.11 -1.92 -1.67 132.00 141.67 1cil h PRO 155 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1cil h PRO 155 Cb 1.11 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1cil h PRO 155 CO 0.75 0.35 0.00 0.78 -0.21 0.00 0.00 178.00 179.67 1cil h GLY 156 N 0.55 0.00 1.12 -0.55 0.00 -1.94 -1.99 103.07 100.25 1cil h GLY 156 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1cil h GLY 156 CO -0.28 0.00 -0.61 -0.10 0.00 0.00 0.00 176.54 175.55 1cil n LEU 157 N -2.77 0.64 0.05 3.11 7.94 -0.63 -4.52 117.00 120.82 1cil n LEU 157 Ca -0.02 0.18 -0.01 0.00 -1.11 0.00 0.00 56.01 55.05 1cil n LEU 157 Cb 0.11 -0.20 0.26 0.00 0.53 0.00 0.00 43.42 44.12 1cil n LEU 157 CO 0.18 -0.01 0.79 -0.61 -1.11 0.00 0.00 177.39 176.63 1cil h GLN 158 N 0.00 0.40 -0.62 1.96 5.75 -1.41 -1.61 115.11 119.58 1cil h GLN 158 Ca 0.00 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1cil h GLN 158 Cb 0.69 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1cil h GLN 158 CO 0.00 0.59 0.41 0.87 -2.65 0.00 0.00 178.83 178.05 1cil h LYS 159 N 0.36 0.72 -0.08 1.69 1.57 -1.79 -0.05 116.57 118.99 1cil h LYS 159 Ca 0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1cil h LYS 159 Cb 0.57 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1cil h LYS 159 CO 0.04 0.48 -0.05 0.28 -0.57 0.00 0.00 179.45 179.62 1cil h VAL 160 N 0.74 1.34 -0.99 0.50 2.07 -1.60 -3.05 116.25 115.26 1cil h VAL 160 Ca 0.24 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1cil h VAL 160 Cb 0.06 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1cil h VAL 160 CO -0.06 0.31 0.65 0.58 0.02 0.00 0.00 177.57 179.07 1cil h VAL 161 N -0.21 1.22 0.00 2.57 2.07 -1.01 -1.93 116.25 118.96 1cil h VAL 161 Ca 0.02 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1cil h VAL 161 Cb 0.52 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1cil h VAL 161 CO 0.01 0.24 -0.23 0.44 0.02 0.00 0.00 177.57 178.05 1cil h ASP 162 N 1.30 0.00 0.39 0.57 3.32 -1.00 -2.92 116.42 118.08 1cil h ASP 162 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1cil h ASP 162 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1cil h ASP 162 CO -0.10 0.23 -0.41 0.55 -1.72 0.00 0.00 179.24 177.79 1cil n VAL 163 N -3.51 0.00 0.24 -1.35 3.14 -0.73 -4.28 118.33 111.83 1cil n VAL 163 Ca -0.01 -0.05 0.07 0.00 -2.96 0.00 0.00 64.34 61.39 1cil n VAL 163 Cb 0.39 0.32 0.58 0.00 -1.06 0.00 0.00 33.84 34.06 1cil n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1cil h LEU 164 N 0.47 0.00 -2.35 6.55 3.38 -1.44 -0.43 115.31 121.48 1cil h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1cil h LEU 164 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1cil h LEU 164 CO 0.00 0.10 -0.04 0.44 0.09 0.00 0.00 178.44 179.03 1cil h ASP 165 N 0.00 0.00 0.22 -0.43 3.32 -1.79 -2.45 116.42 115.29 1cil h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cil h ASP 165 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1cil h ASP 165 CO 0.01 0.04 -0.13 -1.54 -1.72 0.00 0.00 179.24 175.90 1cil n SER 166 N -3.67 0.81 -2.52 6.45 3.41 -0.17 -3.85 113.62 114.08 1cil n SER 166 Ca -0.03 -0.88 -0.15 0.00 -0.26 0.00 0.00 58.87 57.56 1cil n SER 166 Cb 0.13 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1cil n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1cil n ILE 167 N -0.64 1.74 -0.26 -1.33 -5.35 -0.93 -4.71 119.36 107.88 1cil n ILE 167 Ca 0.15 -3.76 -0.01 0.00 -0.27 0.00 0.00 62.75 58.87 1cil n ILE 167 Cb 0.30 -0.06 0.19 0.00 -1.74 0.00 0.00 39.64 38.33 1cil n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1cil h LYS 168 N 2.63 1.08 -6.17 6.28 3.64 -1.66 -3.42 116.57 118.94 1cil h LYS 168 Ca 0.09 -0.09 -0.59 0.00 -1.27 0.00 0.00 60.65 58.80 1cil h LYS 168 Cb 1.21 -0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 32.68 1cil h LYS 168 CO 0.57 0.75 -0.69 0.95 -2.27 0.00 0.00 179.45 178.76 1cil s THR 169 N -5.83 2.87 0.24 1.00 -4.23 -1.26 -0.81 115.64 107.63 1cil s THR 169 Ca -0.11 -2.15 -0.31 0.00 -1.18 0.00 0.00 61.69 57.94 1cil s THR 169 Cb 0.17 -2.60 -0.13 0.00 1.34 0.00 0.00 72.50 71.29 1cil s THR 169 CO 0.80 -0.35 1.44 1.17 -0.54 0.00 0.00 174.62 177.14 1cil n LYS 170 N -0.78 2.13 0.00 3.99 4.81 -0.22 -2.02 118.16 126.07 1cil n LYS 170 Ca -0.05 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1cil n LYS 170 Cb 0.60 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.21 1cil n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cil n GLY 171 N 2.20 1.91 3.78 3.14 0.00 0.07 -4.50 105.19 111.78 1cil n GLY 171 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1cil n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cil s LYS 172 N -0.69 4.58 0.06 1.61 -0.14 -0.86 -4.89 119.74 119.41 1cil s LYS 172 Ca 0.00 1.34 -0.03 0.00 -1.36 0.00 0.00 55.97 55.92 1cil s LYS 172 Cb 0.00 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 1cil s LYS 172 CO 0.00 0.27 0.01 -1.54 -0.76 0.00 0.00 175.35 173.33 1cil s SER 173 N -1.61 0.40 -0.00 2.83 1.04 -1.26 -1.27 113.70 113.83 1cil s SER 173 Ca 0.50 -0.90 -0.08 0.00 0.48 0.00 0.00 55.95 55.95 1cil s SER 173 Cb -0.19 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1cil s SER 173 CO 0.24 -0.61 0.16 0.00 0.98 0.00 0.00 173.24 174.01 1cil s ALA 174 N -3.75 -0.39 0.39 5.32 0.00 -0.52 -4.93 121.76 117.87 1cil s ALA 174 Ca 0.05 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 1cil s ALA 174 Cb 0.06 0.10 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 1cil s ALA 174 CO -0.10 -0.21 1.35 -0.51 0.00 0.00 0.00 175.76 176.29 1cil s ASP 175 N -1.35 6.37 -0.45 0.00 1.01 -1.26 -1.27 116.67 119.73 1cil s ASP 175 Ca -0.14 2.76 0.06 0.00 0.71 0.00 0.00 52.55 55.94 1cil s ASP 175 Cb -0.07 -2.65 0.22 0.00 1.01 0.00 0.00 42.92 41.43 1cil s ASP 175 CO 0.02 -0.82 0.62 0.33 0.21 0.00 0.00 175.17 175.53 1cil n PHE 176 N 0.30 -1.95 -3.54 4.23 7.35 0.08 -4.74 117.46 119.19 1cil n PHE 176 Ca 0.02 -2.61 -0.23 0.00 -0.76 0.00 0.00 57.45 53.87 1cil n PHE 176 Cb 0.42 0.64 -0.01 0.00 0.35 0.00 0.00 39.48 40.88 1cil n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cil s THR 177 N -0.03 5.15 -1.52 -2.13 -4.23 -1.26 -3.06 115.64 108.56 1cil s THR 177 Ca 0.33 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1cil s THR 177 Cb 0.13 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1cil s THR 177 CO -0.16 -0.48 0.43 0.59 -0.54 0.00 0.00 174.62 174.46 1cil n ASN 178 N -1.62 -5.80 -4.78 3.99 4.13 -1.26 -4.96 115.26 104.96 1cil n ASN 178 Ca -0.06 -0.21 -0.38 0.00 1.68 0.00 0.00 54.58 55.62 1cil n ASN 178 Cb 0.56 -4.68 -0.06 0.00 -1.54 0.00 0.00 39.78 34.06 1cil n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1cil s PHE 179 N -3.10 3.63 -0.36 3.10 5.36 -1.26 -5.01 117.98 120.34 1cil s PHE 179 Ca 0.21 0.94 -0.11 0.00 -0.96 0.00 0.00 56.93 57.01 1cil s PHE 179 Cb -0.09 -2.41 0.01 0.00 -0.34 0.00 0.00 43.02 40.19 1cil s PHE 179 CO 0.26 0.42 0.20 0.34 -1.46 0.00 0.00 175.22 174.98 1cil s ASP 180 N -0.28 5.73 0.07 6.13 -1.08 -1.26 -4.45 116.67 121.52 1cil s ASP 180 Ca 0.24 -0.81 0.18 0.00 -0.52 0.00 0.00 52.55 51.64 1cil s ASP 180 Cb -0.16 -2.04 0.75 0.00 -1.46 0.00 0.00 42.92 40.01 1cil s ASP 180 CO 0.12 -0.32 1.56 -0.81 0.52 0.00 0.00 175.17 176.23 1cil n PRO 181 N 5.01 0.05 0.30 4.34 -0.04 -1.26 -2.37 135.00 141.04 1cil n PRO 181 Ca -0.12 0.28 0.17 0.00 -0.04 0.00 0.00 63.50 63.79 1cil n PRO 181 Cb 0.47 -1.60 0.92 0.00 -0.04 0.00 0.00 33.50 33.25 1cil n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cil h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -0.83 114.38 115.24 1cil h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cil h ARG 182 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1cil h ARG 182 CO 0.00 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1cil n GLY 183 N -0.79 -0.86 0.75 0.04 0.00 -1.00 -2.64 105.19 100.69 1cil n GLY 183 Ca -0.02 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1cil n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cil n LEU 184 N -1.35 2.54 -4.80 0.99 4.77 -0.32 -4.42 117.00 114.42 1cil n LEU 184 Ca 0.06 -0.97 -0.37 0.00 -0.03 0.00 0.00 56.01 54.70 1cil n LEU 184 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1cil n LEU 184 CO 0.12 0.44 0.47 -0.76 -1.33 0.00 0.00 177.39 176.34 1cil s LEU 185 N -1.73 4.42 1.12 2.23 1.43 -1.08 -4.95 118.68 120.13 1cil s LEU 185 Ca 0.22 1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 1cil s LEU 185 Cb 0.16 -3.55 0.25 0.00 0.03 0.00 0.00 46.19 43.08 1cil s LEU 185 CO 0.28 0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.85 1cil s PRO 186 N -1.71 -0.55 0.10 1.29 0.04 -1.26 -4.99 135.00 127.92 1cil s PRO 186 Ca 0.42 0.33 -0.15 0.00 0.04 0.00 0.00 61.00 61.63 1cil s PRO 186 Cb -0.19 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1cil s PRO 186 CO 0.23 -3.35 1.47 1.49 0.04 0.00 0.00 177.00 176.88 1cil h GLU 187 N -2.33 0.67 -5.85 4.56 4.81 -1.92 -3.44 114.58 111.07 1cil h GLU 187 Ca -0.52 -0.29 -0.63 0.00 -0.13 0.00 0.00 59.36 57.78 1cil h GLU 187 Cb 1.32 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1cil h GLU 187 CO 0.48 0.89 -0.47 0.45 -0.73 0.00 0.00 179.01 179.63 1cil s SER 188 N -6.37 6.39 -0.21 1.04 0.15 -1.26 -5.01 113.70 108.43 1cil s SER 188 Ca -0.13 0.38 0.15 0.00 0.70 0.00 0.00 55.95 57.05 1cil s SER 188 Cb 0.09 -2.01 0.54 0.00 -1.71 0.00 0.00 66.02 62.93 1cil s SER 188 CO 0.81 0.24 1.46 0.18 1.20 0.00 0.00 173.24 177.12 1cil n LEU 189 N 0.83 4.09 -4.76 3.45 4.77 -1.26 -4.71 117.00 119.41 1cil n LEU 189 Ca -0.10 -3.16 -0.39 0.00 -0.03 0.00 0.00 56.01 52.34 1cil n LEU 189 Cb 0.52 -0.58 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1cil n LEU 189 CO 0.45 0.78 0.99 -1.81 -1.33 0.00 0.00 177.39 176.47 1cil s ASP 190 N -1.97 5.70 0.16 -1.43 1.01 -1.26 -4.76 116.67 114.12 1cil s ASP 190 Ca 0.44 2.74 -0.13 0.00 0.71 0.00 0.00 52.55 56.31 1cil s ASP 190 Cb 0.36 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.66 1cil s ASP 190 CO 0.08 -1.28 0.37 -0.72 0.21 0.00 0.00 175.17 173.83 1cil s TYR 191 N -1.29 0.10 0.12 4.23 -0.85 -1.26 -1.46 117.35 116.94 1cil s TYR 191 Ca 0.65 -0.46 0.07 0.00 -0.52 0.00 0.00 57.07 56.81 1cil s TYR 191 Cb -0.40 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.04 1cil s TYR 191 CO 0.49 -0.76 -0.04 -1.58 -1.52 0.00 0.00 175.55 172.14 1cil s TRP 192 N -3.90 2.84 0.01 -3.49 0.51 -0.03 -0.77 118.94 114.10 1cil s TRP 192 Ca 0.11 -0.11 -0.01 0.00 -2.12 0.00 0.00 56.10 53.96 1cil s TRP 192 Cb 0.02 -1.44 -0.01 0.00 -0.81 0.00 0.00 33.47 31.23 1cil s TRP 192 CO -0.04 0.47 0.01 -0.08 -0.51 0.00 0.00 176.95 176.81 1cil s THR 193 N -1.42 0.07 0.13 2.01 -1.32 -0.03 -0.96 115.64 114.12 1cil s THR 193 Ca 0.25 -0.54 -0.21 0.00 -1.21 0.00 0.00 61.69 59.98 1cil s THR 193 Cb -0.11 -0.20 0.06 0.00 -1.51 0.00 0.00 72.50 70.74 1cil s THR 193 CO 0.17 -0.30 0.53 -0.72 -2.21 0.00 0.00 174.62 172.09 1cil s TYR 194 N -0.90 -0.42 0.06 9.09 1.13 -1.06 -1.56 117.35 123.69 1cil s TYR 194 Ca -0.10 0.21 -0.29 0.00 -1.41 0.00 0.00 57.07 55.49 1cil s TYR 194 Cb -0.06 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.18 1cil s TYR 194 CO -0.00 -0.77 0.91 -1.25 -2.51 0.00 0.00 175.55 171.92 1cil s PRO 195 N -3.57 4.60 0.00 -3.49 0.04 -1.26 -1.49 135.00 129.83 1cil s PRO 195 Ca 0.01 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1cil s PRO 195 Cb 0.00 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1cil s PRO 195 CO -0.11 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1cil n GLY 196 N 2.50 4.24 3.27 0.56 0.00 0.35 -4.85 105.19 111.25 1cil n GLY 196 Ca 0.02 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 1cil n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cil s SER 197 N 1.60 1.10 0.50 1.61 1.04 -1.07 -2.38 113.70 116.11 1cil s SER 197 Ca 0.00 -1.57 -0.22 0.00 0.48 0.00 0.00 55.95 54.64 1cil s SER 197 Cb 0.00 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 1cil s SER 197 CO 0.00 -0.93 1.24 -0.76 0.98 0.00 0.00 173.24 173.77 1cil s LEU 198 N -3.30 3.92 0.00 2.42 1.43 -0.53 -4.54 118.68 118.08 1cil s LEU 198 Ca 0.39 2.48 0.25 0.00 -1.03 0.00 0.00 54.13 56.22 1cil s LEU 198 Cb 0.05 -4.29 0.58 0.00 0.03 0.00 0.00 46.19 42.56 1cil s LEU 198 CO 0.19 -1.22 1.48 0.35 0.23 0.00 0.00 176.35 177.38 1cil n THR 199 N -0.80 0.04 -4.48 5.49 -2.24 -1.26 -4.46 114.28 106.57 1cil n THR 199 Ca 0.09 -0.41 -0.24 0.00 -2.27 0.00 0.00 64.05 61.23 1cil n THR 199 Cb 0.47 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 1cil n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cil s THR 200 N -1.96 2.11 0.20 4.28 -4.23 -1.26 -4.70 115.64 110.09 1cil s THR 200 Ca 0.33 -2.24 -0.31 0.00 -1.18 0.00 0.00 61.69 58.30 1cil s THR 200 Cb 0.20 -2.46 -0.16 0.00 1.34 0.00 0.00 72.50 71.43 1cil s THR 200 CO 0.31 -0.31 0.96 -2.65 -0.54 0.00 0.00 174.62 172.39 1cil n PRO 201 N -0.66 0.88 -0.04 3.99 -0.02 -1.26 -0.42 135.00 137.47 1cil n PRO 201 Ca -0.05 0.31 0.03 0.00 -2.02 0.00 0.00 63.50 61.77 1cil n PRO 201 Cb 0.62 -1.66 0.13 0.00 -0.02 0.00 0.00 33.50 32.58 1cil n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cil n PRO 202 N 1.23 1.20 -2.32 0.52 -0.04 -1.26 -5.00 135.00 129.33 1cil n PRO 202 Ca 0.14 -0.31 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1cil n PRO 202 Cb 0.26 -1.12 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 1cil n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1cil n LEU 203 N -0.29 -1.69 -4.77 1.53 4.77 0.44 -4.93 117.00 112.06 1cil n LEU 203 Ca 0.05 0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 1cil n LEU 203 Cb 0.09 -2.72 -0.01 0.00 -2.33 0.00 0.00 43.42 38.45 1cil n LEU 203 CO 0.04 -0.28 1.00 -0.76 -1.33 0.00 0.00 177.39 176.06 1cil s LEU 204 N -5.77 4.32 -1.21 2.23 1.43 -1.26 -4.41 118.68 114.01 1cil s LEU 204 Ca 0.00 2.73 -0.07 0.00 -1.03 0.00 0.00 54.13 55.76 1cil s LEU 204 Cb 0.00 -3.76 0.21 0.00 0.03 0.00 0.00 46.19 42.67 1cil s LEU 204 CO 0.00 -0.73 1.81 -0.62 0.23 0.00 0.00 176.35 177.04 1cil n GLU 205 N 0.45 4.08 -0.07 1.70 1.02 -1.26 -1.46 120.64 125.10 1cil n GLU 205 Ca 0.02 -3.89 0.03 0.00 -0.02 0.00 0.00 57.16 53.29 1cil n GLU 205 Cb 0.42 -2.75 0.04 0.00 -0.02 0.00 0.00 31.44 29.13 1cil n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cil s VAL 207 N -1.19 3.25 -0.36 0.00 1.01 -1.00 -1.22 120.40 120.89 1cil s VAL 207 Ca 0.08 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 1cil s VAL 207 Cb 0.07 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1cil s VAL 207 CO 0.01 0.55 0.34 -0.89 0.00 0.00 0.00 175.10 175.10 1cil s THR 208 N -0.05 5.19 0.01 3.92 2.01 -0.33 -0.50 115.64 125.89 1cil s THR 208 Ca -0.02 -0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.64 1cil s THR 208 Cb -0.14 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1cil s THR 208 CO 0.04 -0.13 0.73 0.26 -0.69 0.00 0.00 174.62 174.83 1cil s TRP 209 N 1.95 3.69 -0.24 4.92 0.52 -0.55 -2.20 118.94 127.03 1cil s TRP 209 Ca 0.10 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.61 1cil s TRP 209 Cb -0.17 -2.79 0.06 0.00 -1.15 0.00 0.00 33.47 29.42 1cil s TRP 209 CO 0.12 0.23 -0.04 0.42 0.02 0.00 0.00 176.95 177.70 1cil s ILE 210 N 0.17 1.44 -0.21 2.03 1.01 -0.48 -2.57 121.20 122.59 1cil s ILE 210 Ca 0.38 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1cil s ILE 210 Cb -0.19 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1cil s ILE 210 CO 0.21 -0.15 -0.04 -0.69 0.00 0.00 0.00 174.94 174.27 1cil s VAL 211 N 1.43 3.50 0.24 2.92 1.01 -0.13 -0.66 120.40 128.70 1cil s VAL 211 Ca -0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1cil s VAL 211 Cb -0.19 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 1cil s VAL 211 CO -0.07 0.43 1.04 -0.76 0.00 0.00 0.00 175.10 175.73 1cil s LEU 212 N 1.31 4.57 0.17 3.92 1.43 -0.20 -0.85 118.68 129.03 1cil s LEU 212 Ca 0.04 2.10 -0.10 0.00 -1.03 0.00 0.00 54.13 55.13 1cil s LEU 212 Cb -0.14 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.52 1cil s LEU 212 CO -0.01 -0.05 1.65 0.50 0.23 0.00 0.00 176.35 178.67 1cil h LYS 213 N 4.29 1.00 -5.70 1.70 3.64 -1.59 -3.43 116.57 116.47 1cil h LYS 213 Ca -0.45 -0.28 -0.60 0.00 -1.27 0.00 0.00 60.65 58.04 1cil h LYS 213 Cb 1.21 -0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.82 1cil h LYS 213 CO 0.69 0.96 0.34 -2.00 -2.27 0.00 0.00 179.45 177.16 1cil s GLU 214 N -5.14 4.17 0.78 1.90 2.12 -1.26 -5.01 118.70 116.25 1cil s GLU 214 Ca -0.12 0.79 -0.11 0.00 0.36 0.00 0.00 54.97 55.89 1cil s GLU 214 Cb 0.13 -3.64 0.06 0.00 0.26 0.00 0.00 34.13 30.94 1cil s GLU 214 CO 0.84 -0.45 1.10 -2.14 -0.54 0.00 0.00 175.26 174.07 1cil s PRO 215 N 2.62 2.15 0.15 4.30 0.02 -1.26 -4.67 135.00 138.30 1cil s PRO 215 Ca 0.32 1.27 0.04 0.00 0.02 0.00 0.00 61.00 62.65 1cil s PRO 215 Cb -0.15 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1cil s PRO 215 CO 0.08 -1.74 0.16 0.96 -0.33 0.00 0.00 177.00 176.13 1cil s ILE 216 N -2.77 4.67 -0.01 2.83 -4.36 0.07 -4.87 121.20 116.77 1cil s ILE 216 Ca 0.63 -0.97 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1cil s ILE 216 Cb -0.19 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 1cil s ILE 216 CO 0.54 -0.08 0.04 -0.94 0.24 0.00 0.00 174.94 174.74 1cil s SER 217 N -3.06 5.43 0.15 4.36 1.04 -1.26 -1.22 113.70 119.13 1cil s SER 217 Ca 0.32 0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.88 1cil s SER 217 Cb -0.10 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 1cil s SER 217 CO 0.24 0.28 -0.11 0.68 0.98 0.00 0.00 173.24 175.32 1cil s VAL 218 N -1.14 1.23 0.64 5.02 -7.23 -0.39 -3.64 120.40 114.88 1cil s VAL 218 Ca 0.21 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 1cil s VAL 218 Cb -0.12 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1cil s VAL 218 CO 0.12 -0.71 1.00 -0.94 -0.31 0.00 0.00 175.10 174.26 1cil s SER 219 N -3.12 5.65 0.31 4.85 1.04 -1.13 -0.75 113.70 120.55 1cil s SER 219 Ca 0.16 1.00 0.02 0.00 0.48 0.00 0.00 55.95 57.62 1cil s SER 219 Cb 0.02 -1.94 0.58 0.00 0.10 0.00 0.00 66.02 64.78 1cil s SER 219 CO 0.01 -1.13 1.89 -1.28 0.98 0.00 0.00 173.24 173.70 1cil h SER 220 N -0.38 0.87 1.35 7.02 0.87 -1.93 -1.68 113.55 119.67 1cil h SER 220 Ca -0.45 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.05 1cil h SER 220 Cb 1.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1cil h SER 220 CO 0.62 0.52 -0.38 1.05 -0.53 0.00 0.00 176.83 178.11 1cil h GLU 221 N 0.97 0.00 -0.00 2.24 9.09 -1.96 -0.81 114.58 124.11 1cil h GLU 221 Ca 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.84 1cil h GLU 221 Cb 0.36 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1cil h GLU 221 CO -0.19 0.38 -0.00 1.96 0.05 0.00 0.00 179.01 181.21 1cil h GLN 222 N 0.00 0.01 0.00 1.06 4.20 -1.70 -2.94 115.11 115.74 1cil h GLN 222 Ca -0.00 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1cil h GLN 222 Cb 1.15 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1cil h GLN 222 CO 0.05 0.46 -0.40 -0.24 -0.67 0.00 0.00 178.83 178.03 1cil h VAL 223 N -0.44 1.13 -0.74 -0.54 3.04 -1.29 -2.20 116.25 115.21 1cil h VAL 223 Ca 0.00 -1.43 0.06 0.00 -1.01 0.00 0.00 66.70 64.32 1cil h VAL 223 Cb 0.45 1.81 -0.05 0.00 -2.01 0.00 0.00 31.29 31.50 1cil h VAL 223 CO 0.00 0.39 0.49 -0.07 -1.01 0.00 0.00 177.57 177.36 1cil h LEU 224 N 0.00 0.69 -1.08 3.16 3.38 -1.12 -1.39 115.31 118.94 1cil h LEU 224 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1cil h LEU 224 Cb 0.78 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1cil h LEU 224 CO 0.05 0.44 -0.43 0.11 0.09 0.00 0.00 178.44 178.71 1cil h LYS 225 N 0.78 0.00 -0.79 1.13 1.57 -1.21 -2.62 116.57 115.44 1cil h LYS 225 Ca 0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1cil h LYS 225 Cb 0.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1cil h LYS 225 CO -0.11 0.43 0.45 0.74 -0.57 0.00 0.00 179.45 180.39 1cil h PHE 226 N 0.00 1.05 0.00 -1.35 -1.00 -1.26 -2.73 116.94 111.64 1cil h PHE 226 Ca -0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1cil h PHE 226 Cb 0.82 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 40.04 1cil h PHE 226 CO 0.00 0.72 0.00 0.54 -1.61 0.00 0.00 178.31 177.96 1cil n ARG 227 N -4.36 0.48 0.00 1.51 1.74 -0.99 -2.49 116.66 112.55 1cil n ARG 227 Ca 0.08 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 1cil n ARG 227 Cb 0.08 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.18 1cil n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1cil n LYS 228 N -1.15 1.01 -1.20 5.56 5.02 -1.03 -4.51 118.16 121.85 1cil n LYS 228 Ca 0.13 -0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 55.37 1cil n LYS 228 Cb 0.13 -1.48 0.13 0.00 -0.02 0.00 0.00 35.03 33.78 1cil n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cil s LEU 229 N -2.50 2.38 -0.03 -0.35 1.02 -1.04 -4.87 118.68 113.28 1cil s LEU 229 Ca 0.21 1.55 0.07 0.00 0.02 0.00 0.00 54.13 55.97 1cil s LEU 229 Cb 0.19 -4.01 -0.01 0.00 0.02 0.00 0.00 46.19 42.37 1cil s LEU 229 CO 0.56 -2.56 -0.23 0.20 0.02 0.00 0.00 176.35 174.34 1cil s ASN 230 N -3.40 2.73 0.21 2.29 0.02 0.01 -0.39 114.94 116.41 1cil s ASN 230 Ca 0.63 -0.43 0.04 0.00 -1.02 0.00 0.00 52.86 52.08 1cil s ASN 230 Cb -0.18 -0.44 0.16 0.00 0.02 0.00 0.00 41.25 40.81 1cil s ASN 230 CO 0.57 0.26 1.49 -0.26 0.02 0.00 0.00 177.10 179.18 1cil h PHE 231 N 5.73 0.28 -4.39 2.20 0.04 -1.50 -3.35 116.94 115.96 1cil h PHE 231 Ca -0.38 -0.12 -0.50 0.00 2.80 0.00 0.00 57.97 59.77 1cil h PHE 231 Cb 1.14 -0.04 0.09 0.00 2.20 0.00 0.00 35.95 39.34 1cil h PHE 231 CO 0.40 0.84 0.39 0.54 -0.60 0.00 0.00 178.31 179.89 1cil s ASN 232 N -6.90 5.34 0.60 2.17 4.22 -1.26 -4.42 114.94 114.69 1cil s ASN 232 Ca -0.03 1.30 -0.06 0.00 -2.14 0.00 0.00 52.86 51.93 1cil s ASN 232 Cb 0.11 -2.15 0.02 0.00 1.28 0.00 0.00 41.25 40.51 1cil s ASN 232 CO 0.81 -1.43 0.91 -0.83 -2.04 0.00 0.00 177.10 174.52 1cil s GLY 233 N -4.12 1.62 0.37 0.45 0.00 -1.26 -1.06 107.32 103.33 1cil s GLY 233 Ca 0.58 -0.75 -0.27 0.00 0.00 0.00 0.00 44.72 44.28 1cil s GLY 233 CO 0.53 -0.45 1.34 -2.21 0.00 0.00 0.00 173.10 172.31 1cil n GLU 234 N -2.62 2.21 -0.98 2.90 2.13 -1.26 -2.09 120.64 120.92 1cil n GLU 234 Ca 0.05 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1cil n GLU 234 Cb 0.58 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1cil n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cil n GLY 235 N 0.70 0.53 3.79 8.31 0.00 -1.26 -5.02 105.19 112.24 1cil n GLY 235 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1cil n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cil s GLU 236 N -0.25 2.58 0.29 1.61 2.02 -0.89 -5.09 118.70 118.97 1cil s GLU 236 Ca 0.00 -1.39 -0.30 0.00 0.02 0.00 0.00 54.97 53.31 1cil s GLU 236 Cb 0.00 -2.35 -0.13 0.00 0.10 0.00 0.00 34.13 31.76 1cil s GLU 236 CO 0.00 0.14 1.35 -2.30 0.02 0.00 0.00 175.26 174.47 1cil n PRO 237 N -1.24 2.07 -2.49 0.39 -0.02 -1.26 -4.92 135.00 127.53 1cil n PRO 237 Ca -0.03 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1cil n PRO 237 Cb 0.60 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1cil n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1cil s GLU 238 N -1.07 4.39 -0.12 -0.52 2.12 -1.26 -4.77 118.70 117.47 1cil s GLU 238 Ca 0.62 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.61 1cil s GLU 238 Cb -0.61 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.31 1cil s GLU 238 CO 0.55 -0.36 -0.10 -1.21 -0.54 0.00 0.00 175.26 173.61 1cil s GLU 239 N 1.80 1.78 0.32 4.30 0.41 -1.26 -5.06 118.70 120.99 1cil s GLU 239 Ca 0.56 -0.36 -0.29 0.00 -0.41 0.00 0.00 54.97 54.47 1cil s GLU 239 Cb -0.25 -1.71 -0.10 0.00 -1.78 0.00 0.00 34.13 30.29 1cil s GLU 239 CO 0.24 -0.22 1.21 -0.51 -0.49 0.00 0.00 175.26 175.49 1cil s LEU 240 N 1.50 4.45 -0.85 1.80 1.43 -1.26 -1.40 118.68 124.34 1cil s LEU 240 Ca 0.02 2.48 -0.22 0.00 -1.03 0.00 0.00 54.13 55.38 1cil s LEU 240 Cb -0.13 -3.69 0.08 0.00 0.03 0.00 0.00 46.19 42.48 1cil s LEU 240 CO -0.07 -0.40 1.20 -0.32 0.23 0.00 0.00 176.35 176.99 1cil s MET 241 N -1.72 3.40 0.04 1.70 -2.45 0.48 -4.65 119.30 116.11 1cil s MET 241 Ca 0.48 -1.10 -0.05 0.00 -1.25 0.00 0.00 55.69 53.77 1cil s MET 241 Cb -0.36 -4.74 -0.02 0.00 1.25 0.00 0.00 34.83 30.96 1cil s MET 241 CO 0.47 -1.97 0.08 0.14 1.05 0.00 0.00 175.02 174.79 1cil s VAL 242 N 4.17 0.15 -1.29 10.11 -7.23 -1.26 -4.50 120.40 120.54 1cil s VAL 242 Ca 0.34 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1cil s VAL 242 Cb -0.07 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.87 1cil s VAL 242 CO -0.01 -0.67 0.79 0.47 -0.31 0.00 0.00 175.10 175.37 1cil n ASP 243 N 0.63 -1.62 -3.44 4.85 8.00 -0.34 -4.87 116.55 119.75 1cil n ASP 243 Ca -0.18 -0.77 -0.40 0.00 0.71 0.00 0.00 54.79 54.15 1cil n ASP 243 Cb 0.59 -4.31 0.01 0.00 -0.02 0.00 0.00 41.12 37.39 1cil n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cil n ASN 244 N -3.06 7.49 -4.20 -2.24 6.94 -1.07 -4.91 115.26 114.20 1cil n ASN 244 Ca -0.28 -3.57 -0.21 0.00 -0.02 0.00 0.00 54.58 50.50 1cil n ASN 244 Cb 0.67 -1.20 -0.13 0.00 -2.36 0.00 0.00 39.78 36.76 1cil n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1cil s TRP 245 N -3.51 1.44 -0.08 -2.53 1.48 -1.26 -4.59 118.94 109.89 1cil s TRP 245 Ca 0.45 -0.42 -0.13 0.00 -1.06 0.00 0.00 56.10 54.95 1cil s TRP 245 Cb 0.24 -0.82 -0.05 0.00 -1.16 0.00 0.00 33.47 31.68 1cil s TRP 245 CO -0.17 0.10 0.31 0.50 -4.06 0.00 0.00 176.95 173.63 1cil s ARG 246 N -1.59 3.91 0.82 3.25 3.52 -1.26 -4.97 118.95 122.62 1cil s ARG 246 Ca 0.02 0.19 -0.10 0.00 -0.13 0.00 0.00 55.73 55.71 1cil s ARG 246 Cb -0.09 -3.28 0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1cil s ARG 246 CO 0.03 0.57 1.11 -1.25 -0.81 0.00 0.00 175.30 174.94 1cil s PRO 247 N -0.57 1.86 0.37 5.12 0.04 -1.26 -4.70 135.00 135.85 1cil s PRO 247 Ca 0.20 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1cil s PRO 247 Cb -0.14 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1cil s PRO 247 CO 0.08 -1.96 1.51 0.00 0.04 0.00 0.00 177.00 176.67 1cil s ALA 248 N -2.83 3.60 0.25 8.56 0.00 -1.26 -4.39 121.76 125.69 1cil s ALA 248 Ca 0.63 1.59 0.07 0.00 0.00 0.00 0.00 51.96 54.25 1cil s ALA 248 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1cil s ALA 248 CO 0.57 -1.08 0.20 -0.65 0.00 0.00 0.00 175.76 174.80 1cil s GLN 249 N -1.96 2.92 0.30 0.00 -1.52 0.44 -4.95 119.66 114.89 1cil s GLN 249 Ca 0.54 -1.06 -0.30 0.00 -1.95 0.00 0.00 55.36 52.59 1cil s GLN 249 Cb -0.47 -2.56 -0.12 0.00 -0.22 0.00 0.00 33.01 29.64 1cil s GLN 249 CO 0.62 0.39 1.53 -2.30 -0.25 0.00 0.00 175.29 175.29 1cil n PRO 250 N -1.18 2.55 0.11 2.91 -0.02 -1.26 -4.57 135.00 133.54 1cil n PRO 250 Ca -0.08 0.90 -0.04 0.00 -2.02 0.00 0.00 63.50 62.27 1cil n PRO 250 Cb 0.58 -2.65 0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1cil n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1cil h LEU 251 N 4.28 0.09 0.00 2.45 5.85 -1.95 -3.44 115.31 122.59 1cil h LEU 251 Ca -0.47 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1cil h LEU 251 Cb 1.24 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1cil h LEU 251 CO 0.75 0.75 0.00 0.29 -0.34 0.00 0.00 178.44 179.89 1cil n LYS 252 N -3.75 0.00 -1.32 1.25 5.02 -1.26 -3.10 118.16 115.00 1cil n LYS 252 Ca -0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1cil n LYS 252 Cb 0.68 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.63 1cil n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1cil n ASN 253 N 3.60 6.29 -4.18 4.39 2.85 -1.26 -4.90 115.26 122.05 1cil n ASN 253 Ca 0.00 -3.08 -0.17 0.00 -0.11 0.00 0.00 54.58 51.23 1cil n ASN 253 Cb 0.00 -1.23 -0.11 0.00 1.24 0.00 0.00 39.78 39.68 1cil n ASN 253 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1cil s ARG 254 N -1.35 0.86 -0.05 1.20 0.52 -1.18 -5.14 118.95 113.81 1cil s ARG 254 Ca 0.55 -1.08 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 1cil s ARG 254 Cb 0.35 -0.72 -0.01 0.00 0.52 0.00 0.00 34.95 35.09 1cil s ARG 254 CO -0.16 0.14 -0.24 -1.14 0.02 0.00 0.00 175.30 173.92 1cil s GLN 255 N -2.29 2.40 -0.14 3.54 0.74 -1.26 -5.03 119.66 117.63 1cil s GLN 255 Ca 0.02 -0.86 -0.14 0.00 0.05 0.00 0.00 55.36 54.43 1cil s GLN 255 Cb -0.07 -2.06 -0.05 0.00 1.10 0.00 0.00 33.01 31.94 1cil s GLN 255 CO 0.02 0.37 0.33 0.42 -0.55 0.00 0.00 175.29 175.88 1cil s ILE 256 N -0.17 5.27 -0.00 -2.34 1.01 -1.26 -4.70 121.20 119.01 1cil s ILE 256 Ca -0.03 0.64 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1cil s ILE 256 Cb -0.13 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1cil s ILE 256 CO 0.03 0.40 -0.00 -0.54 0.00 0.00 0.00 174.94 174.83 1cil s LYS 257 N 0.32 2.77 0.01 2.79 1.02 -0.60 -1.34 119.74 124.71 1cil s LYS 257 Ca 0.19 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.61 1cil s LYS 257 Cb -0.14 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1cil s LYS 257 CO 0.06 0.62 -0.15 0.00 -0.92 0.00 0.00 175.35 174.96 1cil s ALA 258 N -1.08 2.68 -2.19 5.17 0.00 0.68 -0.86 121.76 126.17 1cil s ALA 258 Ca 0.19 -1.11 0.29 0.00 0.00 0.00 0.00 51.96 51.33 1cil s ALA 258 Cb -0.11 -0.86 1.46 0.00 0.00 0.00 0.00 23.12 23.61 1cil s ALA 258 CO 0.10 0.58 1.97 -1.13 0.00 0.00 0.00 175.76 177.27 1cil n SER 259 N 1.73 0.62 0.00 0.00 3.41 0.05 -1.48 113.62 117.96 1cil n SER 259 Ca -0.16 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1cil n SER 259 Cb 0.52 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1cil n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10