#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1moo n GLY 6 N 0.00 2.72 0.00 -1.67 0.00 -0.30 -5.01 105.19 100.93 1moo n GLY 6 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1moo n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1moo n TYR 7 N 0.00 0.00 -2.45 1.61 4.01 -1.26 -3.81 117.16 115.26 1moo n TYR 7 Ca 0.00 -0.35 -0.24 0.00 -0.16 0.00 0.00 57.90 57.14 1moo n TYR 7 Cb 0.00 -0.04 0.14 0.00 -0.31 0.00 0.00 39.34 39.13 1moo n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1moo n GLY 8 N -0.35 0.15 0.37 2.72 0.00 -1.26 -4.69 105.19 102.12 1moo n GLY 8 Ca 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.09 1moo n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1moo h LYS 9 N 0.00 1.11 -0.01 1.61 3.64 -1.97 0.25 116.57 121.20 1moo h LYS 9 Ca -0.35 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1moo h LYS 9 Cb 1.21 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1moo h LYS 9 CO 0.34 0.74 -0.74 0.72 -2.27 0.00 0.00 179.45 178.24 1moo n HIS 10 N -4.48 0.00 -1.26 1.91 8.25 -1.26 -4.46 115.22 113.92 1moo n HIS 10 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1moo n HIS 10 Cb 0.16 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1moo n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1moo n ASN 11 N -0.88 0.02 -2.05 0.41 0.23 -1.17 -4.95 115.26 106.87 1moo n ASN 11 Ca 0.06 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1moo n ASN 11 Cb 0.39 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1moo n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1moo n GLY 12 N -0.01 -0.59 0.44 4.83 0.00 0.07 -1.15 105.19 108.79 1moo n GLY 12 Ca 0.00 -1.74 0.26 0.00 0.00 0.00 0.00 46.02 44.54 1moo n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1moo h PRO 13 N 0.00 0.26 0.00 1.61 0.11 -1.84 0.71 132.00 132.86 1moo h PRO 13 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1moo h PRO 13 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1moo h PRO 13 CO 0.00 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.35 1moo n GLU 14 N -4.50 0.10 -0.01 1.05 -0.58 -1.26 -2.93 120.64 112.52 1moo n GLU 14 Ca 0.25 0.15 0.10 0.00 -0.42 0.00 0.00 57.16 57.23 1moo n GLU 14 Cb 0.97 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 30.20 1moo n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1moo n HIS 15 N -1.42 0.00 0.14 -0.32 8.25 0.24 -4.62 115.22 117.48 1moo n HIS 15 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 1moo n HIS 15 Cb 0.20 -0.28 0.58 0.00 1.12 0.00 0.00 29.99 31.61 1moo n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1moo h TRP 16 N 0.00 0.16 -0.04 4.41 6.55 -1.47 -2.25 115.95 123.32 1moo h TRP 16 Ca 0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1moo h TRP 16 Cb 0.74 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.98 1moo h TRP 16 CO 0.00 0.10 0.05 1.12 -1.05 0.00 0.00 178.44 178.66 1moo h HIS 17 N 0.17 0.00 -0.42 0.49 2.07 -1.80 -0.42 115.15 115.24 1moo h HIS 17 Ca 0.09 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.47 1moo h HIS 17 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 1moo h HIS 17 CO -0.00 0.00 -0.31 0.87 -3.07 0.00 0.00 177.93 175.42 1moo h LYS 18 N 0.00 0.95 0.00 5.12 1.57 -1.76 -2.49 116.57 119.96 1moo h LYS 18 Ca 0.02 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1moo h LYS 18 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1moo h LYS 18 CO -0.00 1.12 -1.09 -0.44 -0.57 0.00 0.00 179.45 178.47 1moo h ASP 19 N 0.78 0.00 -2.39 0.86 3.32 -1.67 -3.42 116.42 113.90 1moo h ASP 19 Ca 0.08 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.54 1moo h ASP 19 Cb 0.89 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.05 1moo h ASP 19 CO 0.08 0.15 -0.88 0.49 -1.72 0.00 0.00 179.24 177.36 1moo n PHE 20 N -2.74 0.72 0.33 4.55 3.72 -0.20 -4.99 117.46 118.85 1moo n PHE 20 Ca -0.02 -3.70 0.20 0.00 -0.05 0.00 0.00 57.45 53.88 1moo n PHE 20 Cb 0.62 -0.20 1.09 0.00 -0.94 0.00 0.00 39.48 40.05 1moo n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1moo h PRO 21 N 4.93 0.00 0.00 -1.08 0.13 -1.69 0.42 132.00 134.72 1moo h PRO 21 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1moo h PRO 21 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1moo h PRO 21 CO 0.53 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.81 1moo n ILE 22 N -3.13 1.53 0.05 -3.56 3.06 -1.26 -2.10 119.36 113.95 1moo n ILE 22 Ca -0.02 0.56 0.21 0.00 -2.50 0.00 0.00 62.75 61.00 1moo n ILE 22 Cb 0.16 -1.54 0.73 0.00 0.54 0.00 0.00 39.64 39.54 1moo n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1moo h ALA 23 N 2.05 2.25 -0.58 1.51 0.00 -1.22 0.19 119.26 123.46 1moo h ALA 23 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1moo h ALA 23 Cb 0.03 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1moo h ALA 23 CO 0.00 -0.72 0.15 1.63 0.00 0.00 0.00 179.25 180.31 1moo n LYS 24 N -3.85 3.44 -0.28 0.00 5.02 -0.89 -4.96 118.16 116.65 1moo n LYS 24 Ca 0.09 -3.06 -0.06 0.00 -2.02 0.00 0.00 58.31 53.26 1moo n LYS 24 Cb 0.67 -2.10 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1moo n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1moo n GLY 25 N -0.28 -1.87 0.03 0.72 0.00 0.66 -4.99 105.19 99.46 1moo n GLY 25 Ca 0.35 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1moo n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1moo n GLU 26 N -1.84 0.13 -2.91 1.61 -0.58 -1.26 -4.34 120.64 111.44 1moo n GLU 26 Ca 0.03 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 1moo n GLU 26 Cb 0.11 -1.59 0.03 0.00 -0.57 0.00 0.00 31.44 29.41 1moo n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1moo n ARG 27 N -1.79 1.04 -2.81 3.49 1.85 -1.26 -4.57 116.66 112.62 1moo n ARG 27 Ca 0.05 -2.82 -0.30 0.00 -1.00 0.00 0.00 57.85 53.78 1moo n ARG 27 Cb 0.38 -1.25 -0.03 0.00 -1.05 0.00 0.00 32.46 30.51 1moo n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1moo s GLN 28 N -1.62 3.74 0.15 2.89 -1.52 -1.26 -2.83 119.66 119.21 1moo s GLN 28 Ca 0.31 0.44 0.07 0.00 -1.95 0.00 0.00 55.36 54.23 1moo s GLN 28 Cb 0.36 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.73 1moo s GLN 28 CO -0.05 -0.07 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.64 1moo s SER 29 N -3.31 2.34 1.03 5.90 0.01 -1.26 -4.65 113.70 113.76 1moo s SER 29 Ca 0.51 -0.85 -0.17 0.00 1.31 0.00 0.00 55.95 56.74 1moo s SER 29 Cb -0.10 -0.11 0.24 0.00 0.21 0.00 0.00 66.02 66.25 1moo s SER 29 CO 0.34 -0.10 1.32 -2.16 0.41 0.00 0.00 173.24 173.05 1moo s PRO 30 N -2.81 0.06 0.08 12.44 0.04 -1.26 -4.59 135.00 138.96 1moo s PRO 30 Ca 0.13 -0.48 0.01 0.00 0.04 0.00 0.00 61.00 60.70 1moo s PRO 30 Cb -0.05 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1moo s PRO 30 CO 0.05 -2.79 -0.06 0.14 0.04 0.00 0.00 177.00 174.38 1moo s VAL 31 N -3.83 0.56 0.07 -0.36 -7.23 -1.26 -0.37 120.40 107.99 1moo s VAL 31 Ca 0.76 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 1moo s VAL 31 Cb -0.03 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 1moo s VAL 31 CO 0.54 -0.89 1.09 -0.62 -0.31 0.00 0.00 175.10 174.91 1moo s ASP 32 N -2.96 7.24 -0.53 4.85 2.15 -1.26 -3.07 116.67 123.08 1moo s ASP 32 Ca 0.10 1.91 -0.18 0.00 0.43 0.00 0.00 52.55 54.81 1moo s ASP 32 Cb 0.05 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 1moo s ASP 32 CO -0.06 -0.32 0.59 -0.63 -0.17 0.00 0.00 175.17 174.58 1moo s ILE 33 N 0.67 4.98 -0.59 4.11 1.01 0.43 -4.94 121.20 126.87 1moo s ILE 33 Ca 0.54 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 1moo s ILE 33 Cb -0.26 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 37.91 1moo s ILE 33 CO 0.30 -0.88 1.06 -0.62 0.00 0.00 0.00 174.94 174.80 1moo s ASP 34 N 3.15 6.34 0.40 3.58 -1.08 -1.26 -0.77 116.67 127.02 1moo s ASP 34 Ca 0.10 -0.28 0.17 0.00 -0.52 0.00 0.00 52.55 52.02 1moo s ASP 34 Cb -0.24 -2.49 0.85 0.00 -1.46 0.00 0.00 42.92 39.59 1moo s ASP 34 CO 0.07 -1.40 1.85 0.71 0.52 0.00 0.00 175.17 176.93 1moo h THR 35 N 6.06 1.05 0.00 1.71 1.35 -1.95 -1.49 112.91 119.64 1moo h THR 35 Ca -0.26 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1moo h THR 35 Cb 1.06 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1moo h THR 35 CO 1.15 0.32 -0.28 0.45 -0.25 0.00 0.00 175.52 176.91 1moo h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.24 115.15 118.47 1moo h HIS 36 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1moo h HIS 36 Cb 0.64 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1moo h HIS 36 CO 0.00 0.00 -1.32 2.41 0.86 0.00 0.00 177.93 179.88 1moo n THR 37 N -2.98 0.70 -2.01 2.45 -1.04 -0.83 -4.92 114.28 105.64 1moo n THR 37 Ca 0.03 -0.59 -0.37 0.00 -2.04 0.00 0.00 64.05 61.08 1moo n THR 37 Cb 0.54 -0.39 0.02 0.00 -1.82 0.00 0.00 70.33 68.68 1moo n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1moo s ALA 38 N -3.24 2.72 -0.03 2.41 0.00 -0.63 -4.85 121.76 118.14 1moo s ALA 38 Ca -0.03 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1moo s ALA 38 Cb 0.10 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1moo s ALA 38 CO 0.82 -1.10 -0.24 0.21 0.00 0.00 0.00 175.76 175.45 1moo s LYS 39 N -3.06 2.20 0.28 0.00 2.20 -0.68 -4.85 119.74 115.83 1moo s LYS 39 Ca 0.72 -0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 1moo s LYS 39 Cb -0.33 -2.10 -0.11 0.00 -1.51 0.00 0.00 37.83 33.78 1moo s LYS 39 CO 0.37 0.55 1.62 -0.47 -0.36 0.00 0.00 175.35 177.06 1moo s TYR 40 N -0.58 2.78 -0.33 4.03 5.04 -1.26 -0.40 117.35 126.63 1moo s TYR 40 Ca 0.09 0.69 0.04 0.00 -2.44 0.00 0.00 57.07 55.44 1moo s TYR 40 Cb -0.10 -4.09 0.10 0.00 0.35 0.00 0.00 41.96 38.21 1moo s TYR 40 CO -0.00 -3.75 0.03 0.34 -1.34 0.00 0.00 175.55 170.83 1moo s ASP 41 N 0.64 4.68 0.00 4.32 -1.08 -0.62 -4.84 116.67 119.76 1moo s ASP 41 Ca 0.66 -2.03 0.07 0.00 -0.52 0.00 0.00 52.55 50.73 1moo s ASP 41 Cb -0.48 -1.57 0.31 0.00 -1.46 0.00 0.00 42.92 39.72 1moo s ASP 41 CO 0.45 -0.36 1.22 -2.65 0.52 0.00 0.00 175.17 174.34 1moo n PRO 42 N 4.31 0.01 0.06 4.34 -0.02 -1.26 -2.19 135.00 140.25 1moo n PRO 42 Ca 0.01 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1moo n PRO 42 Cb 0.42 -1.50 0.49 0.00 -0.02 0.00 0.00 33.50 32.89 1moo n PRO 42 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1moo n SER 43 N -1.48 0.42 -4.74 2.55 3.41 -1.26 -4.80 113.62 107.71 1moo n SER 43 Ca 0.02 0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 58.77 1moo n SER 43 Cb 0.08 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 1moo n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1moo s LEU 44 N -3.81 4.46 0.48 1.04 1.43 -0.93 -5.01 118.68 116.35 1moo s LEU 44 Ca 0.11 2.32 -0.05 0.00 -1.03 0.00 0.00 54.13 55.48 1moo s LEU 44 Cb 0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1moo s LEU 44 CO 0.53 -0.38 0.79 -0.54 0.23 0.00 0.00 176.35 176.98 1moo s LYS 45 N -0.57 3.53 0.44 1.70 -0.14 -1.12 -4.94 119.74 118.64 1moo s LYS 45 Ca 0.52 0.19 -0.25 0.00 -1.36 0.00 0.00 55.97 55.07 1moo s LYS 45 Cb -0.34 -2.38 -0.09 0.00 -1.68 0.00 0.00 37.83 33.34 1moo s LYS 45 CO 0.39 -0.21 1.35 -2.30 -0.76 0.00 0.00 175.35 173.82 1moo n PRO 46 N -2.26 2.08 -2.66 -1.68 -0.02 -1.26 -1.62 135.00 127.57 1moo n PRO 46 Ca 0.01 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1moo n PRO 46 Cb 0.55 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1moo n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1moo s LEU 47 N -2.20 4.50 -0.24 2.45 2.96 -1.26 -1.73 118.68 123.16 1moo s LEU 47 Ca 0.61 1.89 0.01 0.00 -0.22 0.00 0.00 54.13 56.42 1moo s LEU 47 Cb -0.48 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.66 1moo s LEU 47 CO 0.58 -0.11 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.84 1moo s SER 48 N -0.06 4.12 -0.40 3.68 0.15 0.57 -4.90 113.70 116.86 1moo s SER 48 Ca 0.48 -1.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.03 1moo s SER 48 Cb -0.25 -1.58 0.10 0.00 -1.71 0.00 0.00 66.02 62.58 1moo s SER 48 CO 0.31 -0.13 0.19 -0.69 1.20 0.00 0.00 173.24 174.12 1moo s VAL 49 N 1.22 3.47 -0.54 4.45 1.01 -1.26 -1.28 120.40 127.47 1moo s VAL 49 Ca -0.03 -1.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.13 1moo s VAL 49 Cb -0.17 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.08 1moo s VAL 49 CO -0.07 -0.57 0.34 -0.55 0.00 0.00 0.00 175.10 174.25 1moo s SER 50 N 1.84 5.10 0.00 3.32 0.15 -0.15 -4.89 113.70 119.07 1moo s SER 50 Ca 0.05 -2.63 0.06 0.00 0.70 0.00 0.00 55.95 54.13 1moo s SER 50 Cb -0.23 -1.81 0.14 0.00 -1.71 0.00 0.00 66.02 62.42 1moo s SER 50 CO -0.02 -0.40 1.03 -1.22 1.20 0.00 0.00 173.24 173.83 1moo n TYR 51 N 3.75 0.20 0.27 3.44 4.01 -1.26 -1.53 117.16 126.05 1moo n TYR 51 Ca 0.05 -0.38 0.15 0.00 -0.16 0.00 0.00 57.90 57.56 1moo n TYR 51 Cb 0.38 -0.03 0.75 0.00 -0.31 0.00 0.00 39.34 40.13 1moo n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1moo h ASP 52 N 1.15 0.00 -0.48 7.72 2.03 -1.90 -2.15 116.42 122.79 1moo h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1moo h ASP 52 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1moo h ASP 52 CO 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 179.24 178.30 1moo n GLN 53 N -3.37 4.15 -1.74 4.15 1.13 -1.20 -5.00 117.38 115.49 1moo n GLN 53 Ca -0.01 -3.02 -0.42 0.00 -1.94 0.00 0.00 57.00 51.61 1moo n GLN 53 Cb 0.26 -2.08 -0.01 0.00 0.11 0.00 0.00 30.24 28.52 1moo n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1moo n ALA 54 N 0.32 2.04 -3.96 -1.58 0.00 -0.81 -4.59 120.51 111.93 1moo n ALA 54 Ca 0.25 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.74 1moo n ALA 54 Cb 1.06 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 1moo n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1moo s THR 55 N -0.88 2.04 0.50 0.00 2.01 -1.26 -4.92 115.64 113.13 1moo s THR 55 Ca 0.56 -2.25 -0.19 0.00 0.31 0.00 0.00 61.69 60.12 1moo s THR 55 Cb -0.51 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.41 1moo s THR 55 CO 0.60 -0.63 1.02 -0.94 -0.69 0.00 0.00 174.62 173.98 1moo s SER 56 N 0.94 6.38 0.00 3.53 1.04 -1.26 -1.05 113.70 123.28 1moo s SER 56 Ca 0.11 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1moo s SER 56 Cb -0.19 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1moo s SER 56 CO -0.10 -0.75 0.00 0.18 0.98 0.00 0.00 173.24 173.55 1moo n LEU 57 N -1.26 1.86 -3.47 2.42 4.77 0.47 -4.05 117.00 117.74 1moo n LEU 57 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1moo n LEU 57 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1moo n LEU 57 CO 0.42 0.29 0.38 -0.60 -1.33 0.00 0.00 177.39 176.55 1moo s ARG 58 N -1.86 1.19 -0.04 3.23 3.52 -1.21 -1.56 118.95 122.22 1moo s ARG 58 Ca 0.00 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1moo s ARG 58 Cb 0.00 0.55 -0.01 0.00 -1.56 0.00 0.00 34.95 33.93 1moo s ARG 58 CO 0.00 -0.48 -0.20 -1.50 -0.81 0.00 0.00 175.30 172.31 1moo s ILE 59 N -3.08 1.63 -0.05 4.11 2.07 -0.07 -0.79 121.20 125.03 1moo s ILE 59 Ca -0.02 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 58.40 1moo s ILE 59 Cb -0.01 -1.39 0.01 0.00 0.13 0.00 0.00 42.46 41.21 1moo s ILE 59 CO -0.07 0.46 -0.09 -0.22 -1.91 0.00 0.00 174.94 173.12 1moo s LEU 60 N -0.13 1.57 -0.42 8.50 2.96 -0.04 -1.02 118.68 130.10 1moo s LEU 60 Ca -0.01 -0.21 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 1moo s LEU 60 Cb -0.11 -0.63 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1moo s LEU 60 CO 0.02 0.01 0.72 0.21 -1.32 0.00 0.00 176.35 176.00 1moo s ASN 61 N 0.64 6.41 -0.05 3.68 3.84 -0.11 -0.77 114.94 128.56 1moo s ASN 61 Ca -0.11 -0.08 0.20 0.00 0.21 0.00 0.00 52.86 53.09 1moo s ASN 61 Cb -0.14 -2.36 0.67 0.00 -0.55 0.00 0.00 41.25 38.87 1moo s ASN 61 CO 0.02 -0.81 1.57 -0.46 -2.79 0.00 0.00 177.10 174.63 1moo n ASN 62 N 6.46 4.32 0.00 -4.21 0.23 -0.82 -0.80 115.26 120.43 1moo n ASN 62 Ca 0.01 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 1moo n ASN 62 Cb 0.48 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1moo n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1moo n GLY 63 N 1.35 2.23 0.04 4.83 0.00 -1.26 -4.77 105.19 107.62 1moo n GLY 63 Ca 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1moo n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1moo n ALA 64 N -0.72 1.80 -3.28 4.61 0.00 -1.26 -4.72 120.51 116.94 1moo n ALA 64 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 53.44 52.98 1moo n ALA 64 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.63 1moo n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1moo n ALA 65 N -2.51 -0.70 -2.63 0.00 0.00 -1.26 -4.88 120.51 108.52 1moo n ALA 65 Ca -0.15 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.57 1moo n ALA 65 Cb 0.72 0.28 -0.13 0.00 0.00 0.00 0.00 19.45 20.32 1moo n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1moo s PHE 66 N -5.99 2.74 -0.14 0.00 -0.71 -1.26 -1.95 117.98 110.67 1moo s PHE 66 Ca 0.06 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.66 1moo s PHE 66 Cb -0.01 -1.69 -0.02 0.00 -1.21 0.00 0.00 43.02 40.09 1moo s PHE 66 CO 0.03 0.09 -0.10 -0.80 -1.34 0.00 0.00 175.22 173.11 1moo s ASN 67 N -0.46 4.29 -0.33 1.98 0.01 0.05 -4.30 114.94 116.18 1moo s ASN 67 Ca 0.06 -0.26 -0.19 0.00 -0.71 0.00 0.00 52.86 51.75 1moo s ASN 67 Cb -0.12 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.86 1moo s ASN 67 CO 0.02 0.16 0.58 -0.69 -1.51 0.00 0.00 177.10 175.66 1moo s VAL 68 N 0.39 4.96 0.02 1.60 1.01 0.09 -0.86 120.40 127.62 1moo s VAL 68 Ca -0.08 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1moo s VAL 68 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1moo s VAL 68 CO 0.04 -0.19 0.15 -1.61 0.00 0.00 0.00 175.10 173.50 1moo s GLU 69 N 2.53 3.27 0.19 2.72 2.02 0.03 -1.17 118.70 128.29 1moo s GLU 69 Ca 0.22 -0.43 0.11 0.00 0.02 0.00 0.00 54.97 54.89 1moo s GLU 69 Cb -0.15 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 1moo s GLU 69 CO 0.13 0.64 -0.24 -0.06 0.02 0.00 0.00 175.26 175.75 1moo s PHE 70 N -1.33 2.32 -0.41 1.61 0.40 -0.32 -0.40 117.98 119.85 1moo s PHE 70 Ca 0.28 -0.35 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 1moo s PHE 70 Cb -0.12 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1moo s PHE 70 CO 0.19 0.49 1.72 0.34 0.70 0.00 0.00 175.22 178.67 1moo s ASP 71 N -2.64 5.86 -0.29 1.36 2.15 -0.21 -4.84 116.67 118.05 1moo s ASP 71 Ca 0.21 0.97 0.10 0.00 0.43 0.00 0.00 52.55 54.26 1moo s ASP 71 Cb -0.08 -2.53 0.56 0.00 -0.30 0.00 0.00 42.92 40.56 1moo s ASP 71 CO 0.10 -1.79 1.55 -0.90 -0.17 0.00 0.00 175.17 173.95 1moo n ASP 72 N 10.49 3.18 -0.02 -0.34 5.75 -1.26 -4.61 116.55 129.74 1moo n ASP 72 Ca 0.21 -3.53 0.14 0.00 -0.01 0.00 0.00 54.79 51.60 1moo n ASP 72 Cb 0.48 -0.65 0.55 0.00 -1.03 0.00 0.00 41.12 40.47 1moo n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1moo n SER 73 N -0.90 0.19 -4.02 -1.12 3.41 -1.26 -4.87 113.62 105.05 1moo n SER 73 Ca 0.35 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1moo n SER 73 Cb 1.12 -0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.75 1moo n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1moo s GLN 74 N -2.86 1.02 -0.80 4.33 -0.21 -1.26 -5.08 119.66 114.79 1moo s GLN 74 Ca 0.18 -1.24 -0.26 0.00 0.02 0.00 0.00 55.36 54.06 1moo s GLN 74 Cb 0.19 0.32 0.02 0.00 1.00 0.00 0.00 33.01 34.54 1moo s GLN 74 CO 0.55 -0.34 1.47 -0.51 -2.12 0.00 0.00 175.29 174.35 1moo s ASP 75 N -2.98 6.02 0.00 5.90 1.01 -1.26 -4.64 116.67 120.71 1moo s ASP 75 Ca 0.17 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.85 1moo s ASP 75 Cb 0.05 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1moo s ASP 75 CO -0.01 -1.92 0.00 0.29 0.21 0.00 0.00 175.17 173.74 1moo n LYS 76 N 9.19 3.94 -3.62 8.23 5.02 -1.26 -4.98 118.16 134.68 1moo n LYS 76 Ca 0.16 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.21 1moo n LYS 76 Cb 0.50 -1.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.34 1moo n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1moo s ALA 77 N -2.00 0.31 0.05 7.82 0.00 -1.26 -3.13 121.76 123.55 1moo s ALA 77 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1moo s ALA 77 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1moo s ALA 77 CO 0.00 -0.98 -0.04 0.14 0.00 0.00 0.00 175.76 174.89 1moo s VAL 78 N 2.16 0.28 -0.07 0.00 -7.23 -0.58 -1.02 120.40 113.93 1moo s VAL 78 Ca 0.03 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1moo s VAL 78 Cb -0.15 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.59 1moo s VAL 78 CO -0.08 -0.83 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.48 1moo s LEU 79 N -2.51 2.41 0.19 1.32 2.96 0.24 -0.98 118.68 122.31 1moo s LEU 79 Ca 0.01 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1moo s LEU 79 Cb 0.02 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1moo s LEU 79 CO -0.07 0.25 0.29 -0.54 -1.32 0.00 0.00 176.35 174.96 1moo s LYS 80 N -0.18 1.24 1.62 1.98 1.02 -0.40 -1.61 119.74 123.40 1moo s LYS 80 Ca -0.02 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1moo s LYS 80 Cb -0.13 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1moo s LYS 80 CO 0.03 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.42 1moo n GLY 81 N -0.26 -1.59 7.00 -3.33 0.00 -1.26 -0.32 105.19 105.44 1moo n GLY 81 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1moo n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1moo n GLY 82 N 0.00 3.13 0.15 -0.02 0.00 -0.64 -1.00 105.19 106.80 1moo n GLY 82 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1moo n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1moo n PRO 83 N 13.67 1.01 -3.27 1.61 -0.04 -1.26 -2.78 135.00 143.93 1moo n PRO 83 Ca 0.00 -0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 62.80 1moo n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 1moo n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1moo s LEU 84 N -2.20 4.41 -0.26 1.53 1.43 -0.17 -5.06 118.68 118.36 1moo s LEU 84 Ca 0.38 1.22 -0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1moo s LEU 84 Cb 0.21 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1moo s LEU 84 CO 0.40 0.15 0.10 -1.81 0.23 0.00 0.00 176.35 175.42 1moo s ASP 85 N -1.49 5.37 0.00 2.29 1.01 -1.26 -4.20 116.67 118.39 1moo s ASP 85 Ca 0.36 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.47 1moo s ASP 85 Cb -0.17 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1moo s ASP 85 CO 0.20 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.15 1moo n GLY 86 N 4.93 -1.76 3.26 0.21 0.00 -1.26 -4.95 105.19 105.62 1moo n GLY 86 Ca -0.16 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 1moo n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1moo s THR 87 N 0.00 2.18 -0.13 2.61 2.01 -1.26 -4.43 115.64 116.62 1moo s THR 87 Ca 0.00 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1moo s THR 87 Cb 0.00 -1.82 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1moo s THR 87 CO 0.00 0.56 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.96 1moo s TYR 88 N 0.08 2.65 -0.15 4.92 1.51 -0.64 -1.03 117.35 124.70 1moo s TYR 88 Ca -0.10 -1.22 -0.12 0.00 -1.01 0.00 0.00 57.07 54.61 1moo s TYR 88 Cb -0.16 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 1moo s TYR 88 CO 0.06 -0.54 0.25 0.50 -1.11 0.00 0.00 175.55 174.71 1moo s ARG 89 N 0.67 4.10 0.08 -0.62 3.52 0.39 -0.60 118.95 126.50 1moo s ARG 89 Ca -0.10 0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.23 1moo s ARG 89 Cb -0.16 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 1moo s ARG 89 CO 0.01 0.36 1.56 -1.17 -0.81 0.00 0.00 175.30 175.26 1moo s LEU 90 N 0.10 4.36 -0.12 -0.88 2.96 -0.19 -1.12 118.68 123.79 1moo s LEU 90 Ca 0.15 2.43 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 1moo s LEU 90 Cb -0.13 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 1moo s LEU 90 CO 0.04 -0.81 -0.10 0.00 -1.32 0.00 0.00 176.35 174.15 1moo n ILE 91 N 4.46 0.69 -3.46 6.68 3.06 -0.31 -4.52 119.36 125.96 1moo n ILE 91 Ca 0.14 -0.26 -0.11 0.00 -2.50 0.00 0.00 62.75 60.02 1moo n ILE 91 Cb 0.41 -0.92 -0.02 0.00 0.54 0.00 0.00 39.64 39.64 1moo n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1moo s GLN 92 N -2.24 1.08 0.19 9.51 1.03 -1.21 -1.17 119.66 126.85 1moo s GLN 92 Ca -0.16 -0.34 0.07 0.00 0.04 0.00 0.00 55.36 54.96 1moo s GLN 92 Cb 0.04 0.50 -0.05 0.00 0.03 0.00 0.00 33.01 33.53 1moo s GLN 92 CO 0.28 -0.46 -0.13 -0.59 -2.54 0.00 0.00 175.29 171.85 1moo s PHE 93 N -3.28 1.58 0.32 9.60 -0.12 -0.32 -0.67 117.98 125.10 1moo s PHE 93 Ca 0.02 -0.64 -0.15 0.00 -0.05 0.00 0.00 56.93 56.10 1moo s PHE 93 Cb -0.01 -0.76 0.03 0.00 -0.63 0.00 0.00 43.02 41.65 1moo s PHE 93 CO -0.10 0.27 0.67 -3.38 -0.05 0.00 0.00 175.22 172.63 1moo s HIS 94 N -3.09 0.18 0.26 3.49 -3.43 -0.74 -0.73 115.29 111.23 1moo s HIS 94 Ca 0.21 -0.67 0.08 0.00 -0.80 0.00 0.00 55.06 53.88 1moo s HIS 94 Cb 0.01 0.57 -0.05 0.00 -1.43 0.00 0.00 32.58 31.67 1moo s HIS 94 CO 0.05 -1.31 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.31 1moo s PHE 95 N -3.24 1.96 0.02 0.38 0.40 -1.26 -0.58 117.98 115.66 1moo s PHE 95 Ca 0.17 -0.59 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 1moo s PHE 95 Cb -0.04 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 1moo s PHE 95 CO 0.11 0.40 -0.20 -1.01 0.70 0.00 0.00 175.22 175.21 1moo s HIS 96 N -2.89 1.78 0.23 0.36 3.76 -0.13 -4.72 115.29 113.68 1moo s HIS 96 Ca 0.27 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.69 1moo s HIS 96 Cb 0.01 -1.09 0.00 0.00 1.11 0.00 0.00 32.58 32.61 1moo s HIS 96 CO 0.11 0.05 0.47 1.67 -0.85 0.00 0.00 174.74 176.19 1moo s TRP 97 N -0.68 0.26 0.46 1.40 -2.14 -1.21 -1.27 118.94 115.76 1moo s TRP 97 Ca 0.07 -0.63 0.08 0.00 2.66 0.00 0.00 56.10 58.29 1moo s TRP 97 Cb -0.08 0.22 0.02 0.00 -3.10 0.00 0.00 33.47 30.52 1moo s TRP 97 CO 0.01 -0.96 0.54 0.20 -2.66 0.00 0.00 176.95 174.08 1moo s GLY 98 N -2.98 2.00 0.25 3.67 0.00 -1.19 -1.19 107.32 107.87 1moo s GLY 98 Ca 0.19 -1.80 0.25 0.00 0.00 0.00 0.00 44.72 43.37 1moo s GLY 98 CO 0.06 -1.63 1.72 1.48 0.00 0.00 0.00 173.10 174.74 1moo h SER 99 N 0.67 0.00 -5.27 1.64 4.64 -1.88 -3.38 113.55 109.97 1moo h SER 99 Ca -0.38 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.80 1moo h SER 99 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1moo h SER 99 CO 0.49 0.00 -0.64 -0.76 -0.87 0.00 0.00 176.83 175.05 1moo s LEU 100 N -4.82 2.22 0.54 5.97 1.43 -1.26 -5.06 118.68 117.70 1moo s LEU 100 Ca 0.10 -1.01 0.31 0.00 -1.03 0.00 0.00 54.13 52.50 1moo s LEU 100 Cb 0.11 0.31 1.49 0.00 0.03 0.00 0.00 46.19 48.14 1moo s LEU 100 CO 0.62 -0.64 2.06 0.44 0.23 0.00 0.00 176.35 179.05 1moo h ASP 101 N 3.05 0.00 0.08 2.29 3.32 -1.92 -2.94 116.42 120.30 1moo h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1moo h ASP 101 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1moo h ASP 101 CO 0.63 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 1moo n GLY 102 N -0.46 -0.70 3.53 2.75 0.00 -1.26 -3.29 105.19 105.76 1moo n GLY 102 Ca -0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1moo n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1moo s GLN 103 N -2.12 1.40 0.00 1.61 -2.07 -1.11 -4.71 119.66 112.66 1moo s GLN 103 Ca 0.28 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1moo s GLN 103 Cb 0.14 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.59 1moo s GLN 103 CO 0.25 -0.60 0.00 0.41 -1.32 0.00 0.00 175.29 174.03 1moo n GLY 104 N -0.35 1.29 3.79 2.60 0.00 -0.98 -3.14 105.19 108.40 1moo n GLY 104 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1moo n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1moo s SER 105 N 0.00 5.28 -0.15 1.61 1.04 -0.47 -3.34 113.70 117.66 1moo s SER 105 Ca 0.00 1.83 -0.11 0.00 0.48 0.00 0.00 55.95 58.16 1moo s SER 105 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1moo s SER 105 CO 0.00 -1.51 -0.20 -0.62 0.98 0.00 0.00 173.24 171.89 1moo n GLU 106 N -2.62 0.47 -1.70 4.02 1.02 -1.26 -4.85 120.64 115.71 1moo n GLU 106 Ca 0.09 0.48 -0.33 0.00 -0.02 0.00 0.00 57.16 57.38 1moo n GLU 106 Cb 0.53 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.35 1moo n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1moo s HIS 107 N -2.35 2.57 0.18 -0.32 3.76 -1.26 -4.21 115.29 113.65 1moo s HIS 107 Ca -0.17 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 56.36 1moo s HIS 107 Cb 0.03 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.49 1moo s HIS 107 CO 0.26 -1.77 -0.13 0.95 -0.85 0.00 0.00 174.74 173.21 1moo s THR 108 N -2.35 1.50 -0.22 1.30 -4.23 -1.18 -4.69 115.64 105.78 1moo s THR 108 Ca 0.67 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1moo s THR 108 Cb -0.21 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.76 1moo s THR 108 CO 0.43 -0.63 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.10 1moo s VAL 109 N -2.99 1.72 -1.68 2.29 1.01 -0.76 -0.43 120.40 119.54 1moo s VAL 109 Ca 0.19 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 1moo s VAL 109 Cb -0.00 -1.85 0.15 0.00 0.00 0.00 0.00 36.38 34.67 1moo s VAL 109 CO 0.04 0.05 0.78 0.47 0.00 0.00 0.00 175.10 176.45 1moo n ASP 110 N 4.63 -3.24 0.00 3.32 8.00 0.05 -0.62 116.55 128.69 1moo n ASP 110 Ca -0.14 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1moo n ASP 110 Cb 0.45 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 1moo n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1moo n LYS 111 N -4.40 0.00 -2.22 -1.24 4.76 -1.26 -5.00 118.16 108.80 1moo n LYS 111 Ca 0.06 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 1moo n LYS 111 Cb 0.50 -2.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.20 1moo n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1moo s LYS 112 N -0.10 4.29 -0.12 1.97 2.20 0.21 -4.98 119.74 123.21 1moo s LYS 112 Ca 0.00 1.97 -0.15 0.00 -0.36 0.00 0.00 55.97 57.42 1moo s LYS 112 Cb 0.00 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1moo s LYS 112 CO 0.00 -0.56 0.37 0.15 -0.36 0.00 0.00 175.35 174.95 1moo s LYS 113 N 2.31 4.22 0.55 4.03 1.02 -1.26 -1.84 119.74 128.78 1moo s LYS 113 Ca 0.64 0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.87 1moo s LYS 113 Cb -0.32 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.62 1moo s LYS 113 CO 0.27 0.28 0.80 0.71 -0.92 0.00 0.00 175.35 176.49 1moo s TYR 114 N 0.28 3.03 0.37 3.18 2.02 -1.26 -4.62 117.35 120.35 1moo s TYR 114 Ca 0.21 0.22 0.23 0.00 -0.37 0.00 0.00 57.07 57.36 1moo s TYR 114 Cb -0.14 -2.69 1.22 0.00 -0.40 0.00 0.00 41.96 39.94 1moo s TYR 114 CO 0.07 -0.80 1.99 0.00 -1.57 0.00 0.00 175.55 175.24 1moo h ALA 115 N 0.03 1.30 -2.37 3.71 0.00 -1.41 -1.14 119.26 119.37 1moo h ALA 115 Ca -0.44 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.48 1moo h ALA 115 Cb 1.28 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1moo h ALA 115 CO 0.56 0.23 0.48 0.00 0.00 0.00 0.00 179.25 180.52 1moo s ALA 116 N -4.16 -1.63 -0.12 0.00 0.00 -1.14 -3.16 121.76 111.55 1moo s ALA 116 Ca -0.02 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 1moo s ALA 116 Cb 0.13 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.95 1moo s ALA 116 CO 0.62 -1.05 0.30 -2.00 0.00 0.00 0.00 175.76 173.63 1moo s GLU 117 N -3.22 0.29 -0.18 0.00 2.12 -0.40 -1.29 118.70 116.02 1moo s GLU 117 Ca 0.13 0.55 -0.12 0.00 0.36 0.00 0.00 54.97 55.89 1moo s GLU 117 Cb -0.02 -0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.31 1moo s GLU 117 CO 0.03 -0.13 0.21 -1.17 -0.54 0.00 0.00 175.26 173.66 1moo s LEU 118 N 0.97 4.23 -0.27 2.70 2.96 0.29 -0.96 118.68 128.60 1moo s LEU 118 Ca -0.07 0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 54.22 1moo s LEU 118 Cb -0.07 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.43 1moo s LEU 118 CO -0.07 0.15 -0.06 -1.00 -1.32 0.00 0.00 176.35 174.05 1moo s HIS 119 N 0.37 3.19 -0.37 5.38 3.76 0.25 -1.11 115.29 126.76 1moo s HIS 119 Ca 0.12 -1.93 -0.17 0.00 -0.15 0.00 0.00 55.06 52.94 1moo s HIS 119 Cb -0.12 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1moo s HIS 119 CO 0.01 -0.81 0.42 -0.51 -0.85 0.00 0.00 174.74 173.00 1moo s LEU 120 N 1.22 4.54 -0.20 0.89 1.43 -0.25 -1.79 118.68 124.53 1moo s LEU 120 Ca -0.05 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1moo s LEU 120 Cb -0.19 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1moo s LEU 120 CO -0.04 -0.45 0.19 -0.69 0.23 0.00 0.00 176.35 175.60 1moo s VAL 121 N 2.15 5.36 0.05 -1.59 1.01 0.16 -1.26 120.40 126.27 1moo s VAL 121 Ca 0.14 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1moo s VAL 121 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1moo s VAL 121 CO 0.13 0.39 -0.13 -1.00 0.00 0.00 0.00 175.10 174.48 1moo s HIS 122 N 0.66 1.16 0.10 5.22 3.76 -0.47 -1.16 115.29 124.57 1moo s HIS 122 Ca 0.10 -0.38 0.10 0.00 -0.15 0.00 0.00 55.06 54.73 1moo s HIS 122 Cb -0.12 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.85 1moo s HIS 122 CO 0.02 0.03 -0.25 1.67 -0.85 0.00 0.00 174.74 175.35 1moo s TRP 123 N -0.97 2.19 -0.19 1.40 1.48 -0.27 -0.67 118.94 121.91 1moo s TRP 123 Ca -0.00 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.35 1moo s TRP 123 Cb -0.08 -1.23 -0.01 0.00 -1.16 0.00 0.00 33.47 30.98 1moo s TRP 123 CO 0.01 0.25 1.32 1.21 -4.06 0.00 0.00 176.95 175.68 1moo s ASN 124 N -1.76 6.83 0.35 -2.66 3.84 0.31 -0.46 114.94 121.39 1moo s ASN 124 Ca 0.12 1.61 0.27 0.00 0.21 0.00 0.00 52.86 55.07 1moo s ASN 124 Cb -0.10 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 39.23 1moo s ASN 124 CO 0.04 -0.87 1.80 0.71 -2.79 0.00 0.00 177.10 175.99 1moo h THR 125 N 5.64 0.00 0.00 -5.21 1.35 -1.43 -1.63 112.91 111.63 1moo h THR 125 Ca -0.28 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1moo h THR 125 Cb 1.11 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1moo h THR 125 CO 0.99 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.55 1moo n LYS 127 N -2.47 0.01 -0.05 4.72 2.85 -1.26 -1.97 118.16 119.99 1moo n LYS 127 Ca 0.01 0.30 0.12 0.00 -1.05 0.00 0.00 58.31 57.69 1moo n LYS 127 Cb 0.21 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.27 1moo n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1moo n TYR 128 N -1.49 0.13 0.00 5.58 4.01 -0.61 -4.99 117.16 119.78 1moo n TYR 128 Ca 0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1moo n TYR 128 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1moo n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1moo n GLY 129 N 1.37 1.29 3.48 2.72 0.00 -0.83 -4.46 105.19 108.76 1moo n GLY 129 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1moo n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1moo s ASP 130 N 0.00 -0.10 0.23 1.61 1.47 -1.26 -5.05 116.67 113.56 1moo s ASP 130 Ca 0.00 -0.76 -0.08 0.00 1.18 0.00 0.00 52.55 52.90 1moo s ASP 130 Cb 0.00 0.53 0.19 0.00 -0.34 0.00 0.00 42.92 43.31 1moo s ASP 130 CO 0.00 -1.03 1.85 0.15 0.68 0.00 0.00 175.17 176.82 1moo h PHE 131 N 2.33 1.19 -0.27 2.11 3.57 -1.94 -0.66 116.94 123.26 1moo h PHE 131 Ca -0.29 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.09 1moo h PHE 131 Cb 1.25 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1moo h PHE 131 CO 0.38 0.82 -0.25 0.78 -2.23 0.00 0.00 178.31 177.81 1moo h GLY 132 N 1.21 0.55 1.47 2.40 0.00 -1.96 -1.58 103.07 105.16 1moo h GLY 132 Ca 0.31 -0.45 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 1moo h GLY 132 CO -0.05 0.41 -0.77 0.50 0.00 0.00 0.00 176.54 176.64 1moo h LYS 133 N 0.45 0.51 -0.71 4.80 1.79 -1.75 -3.21 116.57 118.46 1moo h LYS 133 Ca 0.07 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.13 1moo h LYS 133 Cb 0.67 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 1moo h LYS 133 CO 0.05 1.06 0.47 0.00 -1.08 0.00 0.00 179.45 179.95 1moo h ALA 134 N 0.81 1.58 0.00 3.86 0.00 -0.54 -1.65 119.26 123.31 1moo h ALA 134 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1moo h ALA 134 Cb 1.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1moo h ALA 134 CO 0.14 0.36 0.00 1.33 0.00 0.00 0.00 179.25 181.08 1moo n VAL 135 N -4.45 0.00 -0.23 0.00 0.24 -0.65 -1.41 118.33 111.83 1moo n VAL 135 Ca 0.09 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 1moo n VAL 135 Cb 0.11 -0.06 0.31 0.00 -1.47 0.00 0.00 33.84 32.73 1moo n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1moo n GLN 136 N -0.52 2.66 -4.75 7.34 6.02 -0.62 -4.92 117.38 122.60 1moo n GLN 136 Ca 0.01 -2.58 -0.26 0.00 -0.01 0.00 0.00 57.00 54.16 1moo n GLN 136 Cb 0.00 -1.56 -0.15 0.00 1.02 0.00 0.00 30.24 29.56 1moo n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1moo s GLN 137 N -1.09 1.46 0.55 -1.09 -1.52 -0.50 -5.04 119.66 112.43 1moo s GLN 137 Ca 0.47 -0.86 0.33 0.00 -1.95 0.00 0.00 55.36 53.35 1moo s GLN 137 Cb 0.25 -1.52 1.53 0.00 -0.22 0.00 0.00 33.01 33.06 1moo s GLN 137 CO 0.33 0.40 2.06 -1.00 -0.25 0.00 0.00 175.29 176.83 1moo h PRO 138 N 5.13 0.00 -0.54 2.91 0.13 -1.85 -2.67 132.00 135.11 1moo h PRO 138 Ca -0.41 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.34 1moo h PRO 138 Cb 1.15 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.01 1moo h PRO 138 CO 0.45 0.06 -0.50 -0.40 -0.23 0.00 0.00 178.00 177.38 1moo n ASP 139 N -3.26 4.05 0.08 1.44 5.75 -1.26 -4.21 116.55 119.14 1moo n ASP 139 Ca -0.01 -3.80 -0.07 0.00 -0.01 0.00 0.00 54.79 50.91 1moo n ASP 139 Cb 0.26 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 1moo n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1moo h GLY 140 N 1.72 0.06 -3.52 6.12 0.00 -1.11 -3.43 103.07 102.91 1moo h GLY 140 Ca 0.28 -0.13 -0.49 0.00 0.00 0.00 0.00 47.33 46.99 1moo h GLY 140 CO 0.60 0.11 -0.78 1.08 0.00 0.00 0.00 176.54 177.55 1moo s LEU 141 N -7.06 2.41 -0.05 3.11 1.43 -0.47 -0.53 118.68 117.52 1moo s LEU 141 Ca -0.01 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1moo s LEU 141 Cb 0.10 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1moo s LEU 141 CO 0.81 -0.06 -0.03 0.00 0.23 0.00 0.00 176.35 177.31 1moo s ALA 142 N -1.95 0.62 -0.17 4.21 0.00 0.15 -1.11 121.76 123.50 1moo s ALA 142 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 1moo s ALA 142 Cb -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1moo s ALA 142 CO 0.05 -0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.65 1moo s VAL 143 N 1.11 2.68 -0.34 0.00 1.01 -0.89 -1.37 120.40 122.60 1moo s VAL 143 Ca -0.08 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1moo s VAL 143 Cb -0.14 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1moo s VAL 143 CO -0.01 0.50 0.53 -0.22 0.00 0.00 0.00 175.10 175.90 1moo s LEU 144 N 1.04 4.30 -0.13 3.92 2.96 -0.39 -1.31 118.68 129.07 1moo s LEU 144 Ca -0.01 0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1moo s LEU 144 Cb -0.15 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1moo s LEU 144 CO -0.03 -0.48 0.06 -0.83 -1.32 0.00 0.00 176.35 173.75 1moo s GLY 145 N 1.75 1.96 -0.05 7.98 0.00 0.40 -1.09 107.32 118.26 1moo s GLY 145 Ca 0.20 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 1moo s GLY 145 CO 0.13 -0.28 -0.01 -0.42 0.00 0.00 0.00 173.10 172.52 1moo s ILE 146 N -0.46 0.34 0.44 0.90 1.01 -0.27 -0.88 121.20 122.28 1moo s ILE 146 Ca 0.10 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1moo s ILE 146 Cb -0.12 -0.45 -0.09 0.00 0.01 0.00 0.00 42.46 41.81 1moo s ILE 146 CO 0.02 0.22 1.04 -0.36 0.00 0.00 0.00 174.94 175.86 1moo s PHE 147 N 1.52 3.14 -0.12 3.97 0.08 -1.26 -0.55 117.98 124.76 1moo s PHE 147 Ca -0.02 1.61 0.02 0.00 0.12 0.00 0.00 56.93 58.65 1moo s PHE 147 Cb -0.13 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1moo s PHE 147 CO -0.03 -0.72 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.69 1moo s LEU 148 N -3.05 2.46 0.25 -0.37 1.02 -0.41 -1.08 118.68 117.49 1moo s LEU 148 Ca 0.62 -0.42 0.10 0.00 0.02 0.00 0.00 54.13 54.45 1moo s LEU 148 Cb -0.19 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 1moo s LEU 148 CO 0.24 0.17 -0.05 -1.59 0.02 0.00 0.00 176.35 175.13 1moo s LYS 149 N 0.33 2.16 -0.22 1.70 -2.85 -0.38 -2.10 119.74 118.37 1moo s LYS 149 Ca -0.14 -1.43 -0.12 0.00 -1.00 0.00 0.00 55.97 53.28 1moo s LYS 149 Cb -0.17 -2.11 -0.05 0.00 -2.06 0.00 0.00 37.83 33.45 1moo s LYS 149 CO 0.07 0.38 0.23 0.08 0.10 0.00 0.00 175.35 176.21 1moo s VAL 150 N -2.20 5.32 0.00 1.79 1.01 -1.26 -0.66 120.40 124.40 1moo s VAL 150 Ca 0.30 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1moo s VAL 150 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1moo s VAL 150 CO 0.18 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1moo n GLY 151 N 4.05 0.53 3.78 4.51 0.00 0.56 -4.90 105.19 113.72 1moo n GLY 151 Ca -0.13 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1moo n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1moo s SER 152 N 2.00 5.65 0.58 1.61 0.01 -1.26 -4.05 113.70 118.24 1moo s SER 152 Ca 0.00 2.12 -0.19 0.00 1.31 0.00 0.00 55.95 59.19 1moo s SER 152 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1moo s SER 152 CO 0.00 -1.26 1.19 0.00 0.41 0.00 0.00 173.24 173.58 1moo s ALA 153 N -1.90 2.59 -0.47 1.44 0.00 -1.26 -2.40 121.76 119.76 1moo s ALA 153 Ca 0.71 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 53.48 1moo s ALA 153 Cb -0.23 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1moo s ALA 153 CO 0.29 -1.07 0.44 0.21 0.00 0.00 0.00 175.76 175.64 1moo s LYS 154 N -3.30 3.02 0.29 0.00 2.47 -1.21 -4.81 119.74 116.19 1moo s LYS 154 Ca 0.76 -1.20 0.00 0.00 -1.56 0.00 0.00 55.97 53.97 1moo s LYS 154 Cb -0.29 -4.11 0.51 0.00 -1.46 0.00 0.00 37.83 32.48 1moo s LYS 154 CO 0.32 -1.05 1.88 -1.35 0.16 0.00 0.00 175.35 175.31 1moo h PRO 155 N 8.80 1.02 0.00 4.03 0.11 -1.91 -1.50 132.00 142.55 1moo h PRO 155 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1moo h PRO 155 Cb 1.11 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1moo h PRO 155 CO 0.89 0.68 0.00 0.41 -0.21 0.00 0.00 178.00 179.76 1moo n GLY 156 N -1.38 -0.97 0.13 -0.55 0.00 -1.26 -1.91 105.19 99.26 1moo n GLY 156 Ca 0.16 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1moo n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1moo h LEU 157 N 0.00 0.00 -1.22 0.99 5.85 -1.49 -3.41 115.31 116.03 1moo h LEU 157 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1moo h LEU 157 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1moo h LEU 157 CO 0.00 0.00 0.09 -0.61 -0.34 0.00 0.00 178.44 177.58 1moo h GLN 158 N 0.00 0.62 -0.29 1.25 5.75 -1.44 -0.68 115.11 120.33 1moo h GLN 158 Ca -0.00 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1moo h GLN 158 Cb 1.00 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.44 1moo h GLN 158 CO 0.00 0.58 0.08 0.87 -2.65 0.00 0.00 178.83 177.72 1moo h LYS 159 N 0.61 0.41 -0.05 1.69 1.57 -1.79 0.06 116.57 119.07 1moo h LYS 159 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1moo h LYS 159 Cb 0.25 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1moo h LYS 159 CO -0.00 0.37 -0.00 0.28 -0.57 0.00 0.00 179.45 179.53 1moo h VAL 160 N 0.41 1.26 -0.74 0.50 2.07 -1.43 -3.14 116.25 115.17 1moo h VAL 160 Ca 0.10 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1moo h VAL 160 Cb 0.14 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1moo h VAL 160 CO -0.01 0.21 0.45 0.58 0.02 0.00 0.00 177.57 178.83 1moo h VAL 161 N -0.22 1.06 0.00 2.57 2.07 -0.80 -2.48 116.25 118.45 1moo h VAL 161 Ca 0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1moo h VAL 161 Cb 0.34 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1moo h VAL 161 CO 0.00 0.16 0.00 0.44 0.02 0.00 0.00 177.57 178.19 1moo h ASP 162 N 0.86 0.00 0.21 0.57 3.32 -1.01 -2.76 116.42 117.61 1moo h ASP 162 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1moo h ASP 162 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1moo h ASP 162 CO -0.14 0.00 -0.44 0.55 -1.72 0.00 0.00 179.24 177.49 1moo n VAL 163 N -2.62 0.00 0.17 -1.35 3.14 -0.94 -4.42 118.33 112.31 1moo n VAL 163 Ca 0.02 -0.12 0.04 0.00 -2.96 0.00 0.00 64.34 61.32 1moo n VAL 163 Cb 0.28 0.63 0.47 0.00 -1.06 0.00 0.00 33.84 34.16 1moo n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1moo h LEU 164 N 1.10 0.12 -2.29 6.55 3.38 -1.46 -1.50 115.31 121.21 1moo h LEU 164 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1moo h LEU 164 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1moo h LEU 164 CO 0.00 0.25 0.00 -2.24 0.09 0.00 0.00 178.44 176.54 1moo h ASP 165 N 0.13 0.00 0.31 -0.43 2.03 -1.78 -1.97 116.42 114.70 1moo h ASP 165 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1moo h ASP 165 Cb 0.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1moo h ASP 165 CO 0.02 0.00 -0.40 -1.54 -1.03 0.00 0.00 179.24 176.29 1moo n SER 166 N -2.94 0.88 -2.52 4.15 3.41 -0.56 -4.17 113.62 111.87 1moo n SER 166 Ca -0.02 -0.69 -0.19 0.00 -0.26 0.00 0.00 58.87 57.72 1moo n SER 166 Cb 0.13 0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1moo n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1moo n ILE 167 N -0.98 1.85 -0.30 -1.33 -5.35 -0.74 -4.71 119.36 107.80 1moo n ILE 167 Ca 0.09 -4.09 -0.04 0.00 -0.27 0.00 0.00 62.75 58.44 1moo n ILE 167 Cb 0.35 -0.43 0.11 0.00 -1.74 0.00 0.00 39.64 37.93 1moo n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1moo h LYS 168 N 2.68 1.19 -6.27 6.28 3.64 -1.71 -3.42 116.57 118.96 1moo h LYS 168 Ca 0.14 -0.15 -0.60 0.00 -1.27 0.00 0.00 60.65 58.77 1moo h LYS 168 Cb 1.09 -0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 32.56 1moo h LYS 168 CO 0.68 0.89 -0.72 0.95 -2.27 0.00 0.00 179.45 178.98 1moo s THR 169 N -5.73 2.93 0.17 1.00 -4.23 -1.26 -0.74 115.64 107.77 1moo s THR 169 Ca -0.12 -2.10 -0.34 0.00 -1.18 0.00 0.00 61.69 57.95 1moo s THR 169 Cb 0.17 -2.53 -0.14 0.00 1.34 0.00 0.00 72.50 71.33 1moo s THR 169 CO 0.83 -0.33 1.43 1.17 -0.54 0.00 0.00 174.62 177.18 1moo n LYS 170 N -0.58 1.81 -0.09 3.99 4.81 -0.22 -2.07 118.16 125.81 1moo n LYS 170 Ca -0.07 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1moo n LYS 170 Cb 0.59 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1moo n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1moo n GLY 171 N 2.71 0.99 3.79 3.14 0.00 0.02 -4.49 105.19 111.35 1moo n GLY 171 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1moo n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1moo s LYS 172 N -0.64 4.44 0.12 1.61 1.02 -0.88 -4.90 119.74 120.52 1moo s LYS 172 Ca 0.00 1.05 0.03 0.00 0.02 0.00 0.00 55.97 57.07 1moo s LYS 172 Cb 0.00 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1moo s LYS 172 CO 0.00 0.48 -0.09 -1.54 -0.92 0.00 0.00 175.35 173.29 1moo s SER 173 N -1.37 1.48 0.01 2.83 1.04 -1.26 -0.93 113.70 115.49 1moo s SER 173 Ca 0.39 -0.99 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 1moo s SER 173 Cb -0.20 0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1moo s SER 173 CO 0.24 -0.38 0.17 0.00 0.98 0.00 0.00 173.24 174.25 1moo s ALA 174 N -3.35 -0.37 0.33 5.32 0.00 -0.19 -4.90 121.76 118.60 1moo s ALA 174 Ca 0.13 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.65 1moo s ALA 174 Cb 0.03 0.16 -0.12 0.00 0.00 0.00 0.00 23.12 23.20 1moo s ALA 174 CO -0.02 -0.26 1.49 -3.47 0.00 0.00 0.00 175.76 173.50 1moo n ASP 175 N 1.17 3.58 -3.00 0.00 -0.08 -1.26 -0.89 116.55 116.08 1moo n ASP 175 Ca -0.21 1.19 -0.15 0.00 -1.51 0.00 0.00 54.79 54.11 1moo n ASP 175 Cb 0.57 -1.58 0.02 0.00 2.34 0.00 0.00 41.12 42.47 1moo n ASP 175 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1moo n PHE 176 N 1.18 -1.13 -2.52 -0.67 7.35 -0.60 -4.70 117.46 116.36 1moo n PHE 176 Ca 0.05 -3.09 -0.31 0.00 -0.76 0.00 0.00 57.45 53.34 1moo n PHE 176 Cb 0.37 0.43 -0.02 0.00 0.35 0.00 0.00 39.48 40.61 1moo n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1moo s THR 177 N -1.23 4.70 -1.34 -2.13 -4.23 -1.25 -3.16 115.64 107.00 1moo s THR 177 Ca 0.33 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.64 1moo s THR 177 Cb 0.31 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1moo s THR 177 CO -0.08 -0.72 0.15 0.59 -0.54 0.00 0.00 174.62 174.03 1moo n ASN 178 N -1.73 -4.95 -4.77 3.99 3.02 -1.26 -4.97 115.26 104.59 1moo n ASN 178 Ca 0.04 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.13 1moo n ASN 178 Cb 0.54 -3.98 -0.06 0.00 -0.61 0.00 0.00 39.78 35.67 1moo n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1moo s PHE 179 N -2.89 3.59 -0.43 3.10 5.36 -1.26 -5.03 117.98 120.43 1moo s PHE 179 Ca 0.07 0.87 -0.12 0.00 -0.96 0.00 0.00 56.93 56.80 1moo s PHE 179 Cb -0.03 -2.40 0.07 0.00 -0.34 0.00 0.00 43.02 40.31 1moo s PHE 179 CO 0.09 0.38 0.29 0.34 -1.46 0.00 0.00 175.22 174.86 1moo s ASP 180 N -0.10 5.83 0.00 6.13 -1.08 -1.26 -4.44 116.67 121.75 1moo s ASP 180 Ca 0.23 -1.35 0.14 0.00 -0.52 0.00 0.00 52.55 51.05 1moo s ASP 180 Cb -0.15 -2.06 0.63 0.00 -1.46 0.00 0.00 42.92 39.88 1moo s ASP 180 CO 0.10 -0.55 1.43 -0.81 0.52 0.00 0.00 175.17 175.86 1moo n PRO 181 N 5.03 0.07 0.31 4.34 -0.04 -1.26 -2.35 135.00 141.10 1moo n PRO 181 Ca -0.11 0.23 0.18 0.00 -0.04 0.00 0.00 63.50 63.75 1moo n PRO 181 Cb 0.44 -1.50 1.02 0.00 -0.04 0.00 0.00 33.50 33.42 1moo n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1moo h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.82 114.38 114.26 1moo h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1moo h ARG 182 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1moo h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1moo n GLY 183 N -1.23 -0.81 0.74 0.04 0.00 -0.99 -2.88 105.19 100.06 1moo n GLY 183 Ca -0.03 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1moo n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1moo n LEU 184 N -0.96 2.73 -4.88 0.99 4.77 -0.68 -4.03 117.00 114.94 1moo n LEU 184 Ca 0.18 -1.42 -0.36 0.00 -0.03 0.00 0.00 56.01 54.38 1moo n LEU 184 Cb 0.08 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1moo n LEU 184 CO 0.13 0.59 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.84 1moo s LEU 185 N -1.18 4.34 0.99 2.23 1.43 -1.14 -4.93 118.68 120.43 1moo s LEU 185 Ca 0.24 0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 1moo s LEU 185 Cb 0.15 -2.20 0.20 0.00 0.03 0.00 0.00 46.19 44.37 1moo s LEU 185 CO 0.21 0.37 1.23 -2.16 0.23 0.00 0.00 176.35 176.22 1moo s PRO 186 N -1.27 0.43 0.07 1.29 0.04 -1.26 -4.97 135.00 129.33 1moo s PRO 186 Ca 0.18 -0.16 -0.24 0.00 0.04 0.00 0.00 61.00 60.83 1moo s PRO 186 Cb -0.12 -1.80 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 1moo s PRO 186 CO 0.08 -2.60 1.64 0.93 0.04 0.00 0.00 177.00 177.09 1moo h GLU 187 N -1.78 -0.00 -6.29 4.56 5.08 -1.93 -3.44 114.58 110.78 1moo h GLU 187 Ca -0.46 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.34 1moo h GLU 187 Cb 1.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1moo h GLU 187 CO 0.44 0.10 -0.07 0.45 -1.00 0.00 0.00 179.01 178.93 1moo s SER 188 N -5.29 6.90 -0.12 1.42 0.15 -1.26 -4.99 113.70 110.51 1moo s SER 188 Ca -0.14 1.14 0.17 0.00 0.70 0.00 0.00 55.95 57.83 1moo s SER 188 Cb 0.05 -2.31 0.67 0.00 -1.71 0.00 0.00 66.02 62.72 1moo s SER 188 CO 0.66 0.16 1.58 0.18 1.20 0.00 0.00 173.24 177.03 1moo n LEU 189 N 1.11 4.58 -4.75 3.45 4.77 -1.26 -4.72 117.00 120.19 1moo n LEU 189 Ca -0.07 -2.52 -0.42 0.00 -0.03 0.00 0.00 56.01 52.98 1moo n LEU 189 Cb 0.51 -0.55 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1moo n LEU 189 CO 0.42 0.77 1.05 0.47 -1.33 0.00 0.00 177.39 178.77 1moo n ASP 190 N 0.83 3.41 -3.86 -1.43 8.00 -1.26 -4.91 116.55 117.33 1moo n ASP 190 Ca 0.24 1.22 -0.10 0.00 0.71 0.00 0.00 54.79 56.87 1moo n ASP 190 Cb 0.88 -1.57 -0.05 0.00 -0.02 0.00 0.00 41.12 40.35 1moo n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1moo s TYR 191 N -1.09 0.16 0.08 1.24 -0.85 -1.26 -1.10 117.35 114.53 1moo s TYR 191 Ca 0.54 -0.51 0.05 0.00 -0.52 0.00 0.00 57.07 56.63 1moo s TYR 191 Cb -0.51 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 41.94 1moo s TYR 191 CO 0.63 -0.81 -0.02 -1.58 -1.52 0.00 0.00 175.55 172.26 1moo s TRP 192 N -3.92 2.96 -0.02 -3.49 0.51 -0.10 -0.68 118.94 114.20 1moo s TRP 192 Ca 0.13 -0.04 -0.04 0.00 -2.12 0.00 0.00 56.10 54.04 1moo s TRP 192 Cb 0.01 -1.54 0.00 0.00 -0.81 0.00 0.00 33.47 31.14 1moo s TRP 192 CO -0.01 0.47 0.10 -0.08 -0.51 0.00 0.00 176.95 176.91 1moo s THR 193 N -1.27 0.04 0.16 2.01 -1.32 0.04 -0.34 115.64 114.96 1moo s THR 193 Ca 0.24 -0.31 -0.22 0.00 -1.21 0.00 0.00 61.69 60.20 1moo s THR 193 Cb -0.12 -0.24 0.06 0.00 -1.51 0.00 0.00 72.50 70.69 1moo s THR 193 CO 0.17 -0.17 0.57 -0.72 -2.21 0.00 0.00 174.62 172.26 1moo s TYR 194 N -0.54 -0.45 0.02 9.09 1.13 -1.05 -1.49 117.35 124.06 1moo s TYR 194 Ca -0.06 0.20 -0.25 0.00 -1.41 0.00 0.00 57.07 55.55 1moo s TYR 194 Cb -0.04 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.28 1moo s TYR 194 CO 0.00 -0.85 0.75 -1.25 -2.51 0.00 0.00 175.55 171.69 1moo s PRO 195 N -3.77 4.48 0.00 -3.49 0.04 -1.26 -1.41 135.00 129.58 1moo s PRO 195 Ca 0.02 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1moo s PRO 195 Cb -0.01 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1moo s PRO 195 CO -0.11 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.57 1moo n GLY 196 N 2.55 4.18 3.24 0.56 0.00 0.36 -4.83 105.19 111.24 1moo n GLY 196 Ca -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1moo n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1moo s SER 197 N 1.76 0.53 0.63 1.61 1.04 -1.13 -2.22 113.70 115.93 1moo s SER 197 Ca 0.00 -1.40 -0.18 0.00 0.48 0.00 0.00 55.95 54.84 1moo s SER 197 Cb 0.00 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1moo s SER 197 CO 0.00 -0.82 1.24 0.18 0.98 0.00 0.00 173.24 174.82 1moo n LEU 198 N -0.34 5.62 -0.81 2.42 4.77 -0.44 -4.52 117.00 123.70 1moo n LEU 198 Ca 0.02 0.83 0.09 0.00 -0.03 0.00 0.00 56.01 56.92 1moo n LEU 198 Cb 0.66 -1.53 0.12 0.00 -2.33 0.00 0.00 43.42 40.34 1moo n LEU 198 CO 0.34 -1.12 0.58 0.35 -1.33 0.00 0.00 177.39 176.22 1moo n THR 199 N -1.83 0.27 -4.38 -5.08 -2.24 -1.26 -4.43 114.28 95.33 1moo n THR 199 Ca 0.15 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 1moo n THR 199 Cb 0.48 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.74 1moo n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1moo s THR 200 N -1.37 2.04 0.14 4.28 -4.23 -1.26 -4.66 115.64 110.58 1moo s THR 200 Ca 0.26 -2.05 -0.33 0.00 -1.18 0.00 0.00 61.69 58.38 1moo s THR 200 Cb 0.16 -2.00 -0.17 0.00 1.34 0.00 0.00 72.50 71.83 1moo s THR 200 CO 0.23 -0.31 1.06 -2.65 -0.54 0.00 0.00 174.62 172.41 1moo n PRO 201 N 0.07 0.79 -0.20 3.99 -0.02 -1.26 -0.65 135.00 137.72 1moo n PRO 201 Ca -0.11 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 1moo n PRO 201 Cb 0.58 -1.71 0.13 0.00 -0.02 0.00 0.00 33.50 32.47 1moo n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1moo n PRO 202 N 1.61 1.87 -2.26 0.52 -0.04 -1.26 -5.01 135.00 130.42 1moo n PRO 202 Ca 0.16 -1.03 -0.18 0.00 -0.04 0.00 0.00 63.50 62.41 1moo n PRO 202 Cb 0.22 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1moo n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1moo n LEU 203 N 0.27 -1.78 -4.77 1.53 4.77 0.17 -4.90 117.00 112.30 1moo n LEU 203 Ca 0.09 0.03 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 1moo n LEU 203 Cb 0.34 -2.62 -0.03 0.00 -2.33 0.00 0.00 43.42 38.78 1moo n LEU 203 CO 0.08 -0.27 0.92 -0.76 -1.33 0.00 0.00 177.39 176.02 1moo s LEU 204 N -5.12 4.43 -1.21 2.23 1.43 -1.26 -4.43 118.68 114.76 1moo s LEU 204 Ca 0.00 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 55.53 1moo s LEU 204 Cb 0.00 -3.69 0.19 0.00 0.03 0.00 0.00 46.19 42.72 1moo s LEU 204 CO 0.00 -0.46 1.46 -0.62 0.23 0.00 0.00 176.35 176.96 1moo n GLU 205 N 0.81 3.47 0.00 1.70 1.02 -1.26 -1.32 120.64 125.05 1moo n GLU 205 Ca 0.00 -3.91 0.00 0.00 -0.02 0.00 0.00 57.16 53.23 1moo n GLU 205 Cb 0.43 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 1moo n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1moo s VAL 207 N -0.10 4.29 -0.41 0.00 1.01 -0.94 -1.37 120.40 122.88 1moo s VAL 207 Ca 0.00 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1moo s VAL 207 Cb 0.00 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1moo s VAL 207 CO 0.00 0.47 0.69 -0.89 0.00 0.00 0.00 175.10 175.37 1moo s THR 208 N 0.47 4.79 0.04 3.92 2.01 -0.27 -0.49 115.64 126.12 1moo s THR 208 Ca -0.00 0.41 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 1moo s THR 208 Cb -0.13 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1moo s THR 208 CO 0.02 -0.52 0.74 0.26 -0.69 0.00 0.00 174.62 174.42 1moo s TRP 209 N 2.93 3.74 -0.24 4.92 0.52 -0.50 -2.09 118.94 128.22 1moo s TRP 209 Ca 0.26 1.43 -0.00 0.00 0.02 0.00 0.00 56.10 57.81 1moo s TRP 209 Cb -0.14 -2.78 0.07 0.00 -1.15 0.00 0.00 33.47 29.47 1moo s TRP 209 CO 0.18 0.30 -0.01 0.42 0.02 0.00 0.00 176.95 177.86 1moo s ILE 210 N -0.15 1.26 -0.22 2.03 1.01 -0.43 -2.52 121.20 122.18 1moo s ILE 210 Ca 0.37 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 1moo s ILE 210 Cb -0.20 -1.64 -0.00 0.00 0.01 0.00 0.00 42.46 40.62 1moo s ILE 210 CO 0.22 -0.21 -0.06 -0.69 0.00 0.00 0.00 174.94 174.21 1moo s VAL 211 N 1.51 3.22 0.32 2.92 1.01 0.54 -0.46 120.40 129.46 1moo s VAL 211 Ca -0.02 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1moo s VAL 211 Cb -0.18 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1moo s VAL 211 CO -0.09 0.43 1.16 -0.76 0.00 0.00 0.00 175.10 175.84 1moo s LEU 212 N 1.45 4.42 0.17 3.92 1.43 -0.06 -0.92 118.68 129.10 1moo s LEU 212 Ca 0.06 2.37 -0.04 0.00 -1.03 0.00 0.00 54.13 55.48 1moo s LEU 212 Cb -0.14 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.39 1moo s LEU 212 CO -0.04 -0.37 1.46 0.50 0.23 0.00 0.00 176.35 178.13 1moo h LYS 213 N 3.38 0.57 -5.64 1.70 3.64 -1.45 -3.43 116.57 115.35 1moo h LYS 213 Ca -0.48 -0.39 -0.60 0.00 -1.27 0.00 0.00 60.65 57.91 1moo h LYS 213 Cb 1.22 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 33.00 1moo h LYS 213 CO 0.65 1.01 0.31 -2.00 -2.27 0.00 0.00 179.45 177.15 1moo s GLU 214 N -3.90 4.12 0.73 1.90 2.12 -1.26 -5.01 118.70 117.40 1moo s GLU 214 Ca -0.07 0.70 -0.11 0.00 0.36 0.00 0.00 54.97 55.85 1moo s GLU 214 Cb 0.11 -3.66 0.03 0.00 0.26 0.00 0.00 34.13 30.87 1moo s GLU 214 CO 0.85 -0.49 1.07 -1.25 -0.54 0.00 0.00 175.26 174.91 1moo s PRO 215 N 2.69 2.66 0.12 4.30 0.04 -1.26 -4.66 135.00 138.89 1moo s PRO 215 Ca 0.30 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.32 1moo s PRO 215 Cb -0.15 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1moo s PRO 215 CO 0.08 -1.31 0.34 0.96 0.04 0.00 0.00 177.00 177.11 1moo s ILE 216 N -3.00 5.21 -0.12 0.56 -4.36 -0.24 -4.88 121.20 114.38 1moo s ILE 216 Ca 0.59 -0.03 -0.13 0.00 -0.26 0.00 0.00 60.65 60.83 1moo s ILE 216 Cb -0.15 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.89 1moo s ILE 216 CO 0.55 0.08 0.30 -0.44 0.24 0.00 0.00 174.94 175.67 1moo s SER 217 N -2.40 6.52 0.25 4.36 0.01 -1.26 -1.25 113.70 119.93 1moo s SER 217 Ca 0.39 0.61 0.07 0.00 1.31 0.00 0.00 55.95 58.33 1moo s SER 217 Cb -0.12 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1moo s SER 217 CO 0.25 0.20 -0.09 0.68 0.41 0.00 0.00 173.24 174.69 1moo s VAL 218 N -0.11 1.66 0.46 3.43 -7.23 0.16 -3.35 120.40 115.43 1moo s VAL 218 Ca 0.18 -2.15 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 1moo s VAL 218 Cb -0.14 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1moo s VAL 218 CO 0.06 -0.39 0.76 -0.94 -0.31 0.00 0.00 175.10 174.27 1moo s SER 219 N -3.40 6.27 0.25 4.85 1.04 -1.16 -0.32 113.70 121.23 1moo s SER 219 Ca 0.27 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.54 1moo s SER 219 Cb 0.02 -2.22 0.37 0.00 0.10 0.00 0.00 66.02 64.29 1moo s SER 219 CO 0.10 -0.54 1.86 0.77 0.98 0.00 0.00 173.24 176.41 1moo h SER 220 N 0.32 0.90 -0.26 7.02 4.64 -1.93 -1.59 113.55 122.66 1moo h SER 220 Ca -0.47 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 1moo h SER 220 Cb 1.21 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1moo h SER 220 CO 0.62 0.57 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.82 1moo h GLU 221 N 1.04 0.57 0.06 4.77 3.07 -1.95 -0.19 114.58 121.94 1moo h GLU 221 Ca 0.40 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1moo h GLU 221 Cb 0.19 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1moo h GLU 221 CO -0.18 0.59 -0.03 1.96 -1.40 0.00 0.00 179.01 179.96 1moo h GLN 222 N 0.54 -0.07 0.00 2.33 4.20 -1.69 -2.84 115.11 117.59 1moo h GLN 222 Ca 0.12 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1moo h GLN 222 Cb 0.35 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1moo h GLN 222 CO 0.01 0.10 -0.49 -0.24 -0.67 0.00 0.00 178.83 177.54 1moo h VAL 223 N -0.23 1.32 -0.61 -0.54 3.04 -1.27 -2.50 116.25 115.46 1moo h VAL 223 Ca -0.01 -1.68 0.02 0.00 -1.01 0.00 0.00 66.70 64.02 1moo h VAL 223 Cb 0.20 1.91 -0.03 0.00 -2.01 0.00 0.00 31.29 31.36 1moo h VAL 223 CO 0.01 0.48 0.40 -0.07 -1.01 0.00 0.00 177.57 177.38 1moo h LEU 224 N 0.00 0.65 -1.00 3.16 3.38 -0.96 -1.62 115.31 118.92 1moo h LEU 224 Ca -0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1moo h LEU 224 Cb 0.87 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1moo h LEU 224 CO 0.06 0.46 -0.36 0.11 0.09 0.00 0.00 178.44 178.81 1moo h LYS 225 N 0.77 0.26 -0.89 1.13 1.57 -1.20 -1.89 116.57 116.31 1moo h LYS 225 Ca 0.23 -0.11 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 1moo h LYS 225 Cb -0.00 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.21 1moo h LYS 225 CO -0.06 0.59 0.52 0.74 -0.57 0.00 0.00 179.45 180.67 1moo h PHE 226 N 0.23 0.93 0.00 -1.35 -1.00 -1.24 -2.62 116.94 111.89 1moo h PHE 226 Ca 0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1moo h PHE 226 Cb 0.74 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1moo h PHE 226 CO 0.01 0.34 0.00 0.54 -1.61 0.00 0.00 178.31 177.59 1moo n ARG 227 N -4.74 0.47 0.01 1.51 1.74 -0.72 -2.48 116.66 112.46 1moo n ARG 227 Ca 0.16 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1moo n ARG 227 Cb 0.35 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.55 1moo n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1moo n LYS 228 N -1.22 0.07 -0.91 5.56 5.02 -0.99 -4.44 118.16 121.26 1moo n LYS 228 Ca 0.14 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.16 1moo n LYS 228 Cb 0.18 -1.55 0.18 0.00 -0.02 0.00 0.00 35.03 33.83 1moo n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1moo s LEU 229 N -3.31 1.79 -0.01 -0.35 1.43 -1.04 -4.87 118.68 112.33 1moo s LEU 229 Ca 0.10 1.56 0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1moo s LEU 229 Cb 0.17 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1moo s LEU 229 CO 0.69 -3.29 -0.21 0.20 0.23 0.00 0.00 176.35 173.97 1moo s ASN 230 N -3.03 2.50 0.20 2.29 0.02 0.08 -0.40 114.94 116.60 1moo s ASN 230 Ca 0.66 -0.39 0.05 0.00 -1.02 0.00 0.00 52.86 52.16 1moo s ASN 230 Cb -0.21 -0.27 0.13 0.00 0.02 0.00 0.00 41.25 40.91 1moo s ASN 230 CO 0.60 0.26 1.47 -0.26 0.02 0.00 0.00 177.10 179.18 1moo h PHE 231 N 5.56 0.19 -4.30 2.20 0.04 -1.39 -3.35 116.94 115.90 1moo h PHE 231 Ca -0.40 -0.09 -0.49 0.00 2.80 0.00 0.00 57.97 59.79 1moo h PHE 231 Cb 1.14 -0.03 0.07 0.00 2.20 0.00 0.00 35.95 39.33 1moo h PHE 231 CO 0.40 0.84 0.37 0.54 -0.60 0.00 0.00 178.31 179.86 1moo s ASN 232 N -6.88 5.68 0.87 2.17 4.22 -1.26 -4.42 114.94 115.31 1moo s ASN 232 Ca -0.02 1.13 -0.11 0.00 -2.14 0.00 0.00 52.86 51.71 1moo s ASN 232 Cb 0.11 -2.03 0.11 0.00 1.28 0.00 0.00 41.25 40.72 1moo s ASN 232 CO 0.80 -1.16 1.09 -0.83 -2.04 0.00 0.00 177.10 174.96 1moo s GLY 233 N -4.30 1.63 0.39 0.45 0.00 -1.26 -1.06 107.32 103.17 1moo s GLY 233 Ca 0.56 0.03 -0.28 0.00 0.00 0.00 0.00 44.72 45.04 1moo s GLY 233 CO 0.51 0.48 1.48 -2.21 0.00 0.00 0.00 173.10 173.36 1moo n GLU 234 N -3.80 2.61 -1.00 2.90 2.13 -1.26 -1.74 120.64 120.48 1moo n GLU 234 Ca 0.08 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.81 1moo n GLU 234 Cb 0.55 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.60 1moo n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1moo n GLY 235 N 0.47 0.41 3.96 8.31 0.00 -1.26 -5.03 105.19 112.05 1moo n GLY 235 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1moo n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1moo s GLU 236 N -0.40 3.39 0.32 1.61 2.02 -0.71 -5.07 118.70 119.86 1moo s GLU 236 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 1moo s GLU 236 Cb 0.00 -2.86 -0.12 0.00 0.10 0.00 0.00 34.13 31.24 1moo s GLU 236 CO 0.00 0.41 1.34 -2.30 0.02 0.00 0.00 175.26 174.73 1moo n PRO 237 N -1.41 2.18 -2.60 0.39 -0.02 -1.26 -4.88 135.00 127.40 1moo n PRO 237 Ca -0.08 0.77 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1moo n PRO 237 Cb 0.57 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1moo n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1moo s GLU 238 N -1.54 4.43 -0.23 -0.52 2.12 -1.26 -4.76 118.70 116.95 1moo s GLU 238 Ca 0.58 1.52 0.01 0.00 0.36 0.00 0.00 54.97 57.45 1moo s GLU 238 Cb -0.57 -3.50 0.06 0.00 0.26 0.00 0.00 34.13 30.37 1moo s GLU 238 CO 0.59 -0.29 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.74 1moo s GLU 239 N 1.73 1.85 0.33 4.30 2.02 -1.26 -5.06 118.70 122.61 1moo s GLU 239 Ca 0.53 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1moo s GLU 239 Cb -0.22 -2.61 -0.11 0.00 0.10 0.00 0.00 34.13 31.29 1moo s GLU 239 CO 0.23 -0.55 1.43 -0.51 0.02 0.00 0.00 175.26 175.87 1moo s LEU 240 N 1.33 4.37 -0.96 1.80 1.43 -1.26 -1.15 118.68 124.25 1moo s LEU 240 Ca -0.05 2.85 -0.23 0.00 -1.03 0.00 0.00 54.13 55.67 1moo s LEU 240 Cb -0.18 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.44 1moo s LEU 240 CO -0.06 -0.73 1.38 -0.32 0.23 0.00 0.00 176.35 176.84 1moo s MET 241 N -1.56 3.51 0.03 1.70 -2.45 0.46 -4.60 119.30 116.39 1moo s MET 241 Ca 0.53 -1.03 -0.04 0.00 -1.25 0.00 0.00 55.69 53.90 1moo s MET 241 Cb -0.43 -5.10 -0.01 0.00 1.25 0.00 0.00 34.83 30.53 1moo s MET 241 CO 0.55 -2.15 0.06 0.14 1.05 0.00 0.00 175.02 174.67 1moo s VAL 242 N 4.85 0.13 -1.35 10.11 -7.23 -1.26 -4.43 120.40 121.22 1moo s VAL 242 Ca 0.42 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1moo s VAL 242 Cb -0.02 -0.73 0.02 0.00 0.56 0.00 0.00 36.38 36.21 1moo s VAL 242 CO -0.05 -0.58 0.96 0.47 -0.31 0.00 0.00 175.10 175.59 1moo n ASP 243 N 1.01 -3.51 -2.39 4.85 8.00 -0.34 -4.84 116.55 119.33 1moo n ASP 243 Ca -0.20 -0.69 -0.27 0.00 0.71 0.00 0.00 54.79 54.34 1moo n ASP 243 Cb 0.57 -4.53 -0.01 0.00 -0.02 0.00 0.00 41.12 37.13 1moo n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1moo n ASN 244 N -3.02 6.69 -4.29 -2.24 6.94 -1.08 -4.91 115.26 113.35 1moo n ASN 244 Ca -0.14 -3.29 -0.28 0.00 -0.02 0.00 0.00 54.58 50.85 1moo n ASN 244 Cb 0.61 -1.16 -0.15 0.00 -2.36 0.00 0.00 39.78 36.73 1moo n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1moo s TRP 245 N -2.17 2.06 -0.02 -2.53 1.48 -1.26 -4.60 118.94 111.90 1moo s TRP 245 Ca 0.52 -0.39 -0.20 0.00 -1.06 0.00 0.00 56.10 54.97 1moo s TRP 245 Cb 0.37 -1.25 -0.05 0.00 -1.16 0.00 0.00 33.47 31.37 1moo s TRP 245 CO -0.18 0.07 0.59 0.50 -4.06 0.00 0.00 176.95 173.87 1moo s ARG 246 N -1.04 4.31 0.93 3.25 3.52 -1.26 -4.98 118.95 123.68 1moo s ARG 246 Ca 0.09 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.28 1moo s ARG 246 Cb -0.09 -3.35 0.15 0.00 -1.56 0.00 0.00 34.95 30.09 1moo s ARG 246 CO 0.01 0.34 1.11 -1.25 -0.81 0.00 0.00 175.30 174.70 1moo s PRO 247 N -0.08 0.97 0.36 5.12 0.04 -1.26 -4.61 135.00 135.53 1moo s PRO 247 Ca 0.31 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 1moo s PRO 247 Cb -0.18 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1moo s PRO 247 CO 0.17 -2.35 1.39 0.00 0.04 0.00 0.00 177.00 176.24 1moo n ALA 248 N -3.91 1.80 -2.63 8.56 0.00 -1.26 -4.34 120.51 118.74 1moo n ALA 248 Ca 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 1moo n ALA 248 Cb 0.58 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 1moo n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1moo s GLN 249 N -1.95 2.40 0.28 0.00 -1.52 0.51 -4.95 119.66 114.43 1moo s GLN 249 Ca 0.55 -1.41 -0.30 0.00 -1.95 0.00 0.00 55.36 52.25 1moo s GLN 249 Cb -0.53 -2.22 -0.12 0.00 -0.22 0.00 0.00 33.01 29.93 1moo s GLN 249 CO 0.63 0.30 1.57 -2.30 -0.25 0.00 0.00 175.29 175.24 1moo n PRO 250 N -1.01 2.60 0.10 2.91 -0.02 -1.26 -4.59 135.00 133.73 1moo n PRO 250 Ca -0.06 0.93 -0.01 0.00 -2.02 0.00 0.00 63.50 62.34 1moo n PRO 250 Cb 0.59 -2.69 0.27 0.00 -0.02 0.00 0.00 33.50 31.65 1moo n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1moo h LEU 251 N 4.79 0.25 0.00 2.45 5.85 -1.94 -3.43 115.31 123.28 1moo h LEU 251 Ca -0.46 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1moo h LEU 251 Cb 1.23 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1moo h LEU 251 CO 0.79 0.58 0.00 0.29 -0.34 0.00 0.00 178.44 179.76 1moo n LYS 252 N -4.09 0.00 -2.17 1.25 5.02 -1.26 -3.02 118.16 113.88 1moo n LYS 252 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1moo n LYS 252 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1moo n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1moo n ASN 253 N -0.10 7.56 -4.17 4.39 5.15 -1.26 -4.88 115.26 121.95 1moo n ASN 253 Ca 0.00 -3.24 -0.17 0.00 -0.60 0.00 0.00 54.58 50.57 1moo n ASN 253 Cb 0.00 -1.34 -0.12 0.00 -0.53 0.00 0.00 39.78 37.79 1moo n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1moo s ARG 254 N -1.56 0.81 -0.05 1.20 0.52 -1.17 -5.11 118.95 113.59 1moo s ARG 254 Ca 0.49 -0.99 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 1moo s ARG 254 Cb 0.17 -0.74 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 1moo s ARG 254 CO -0.08 0.16 -0.18 -0.65 0.02 0.00 0.00 175.30 174.57 1moo s GLN 255 N -1.95 2.53 -0.20 3.54 -0.21 -1.26 -5.04 119.66 117.07 1moo s GLN 255 Ca -0.01 -0.76 -0.10 0.00 0.02 0.00 0.00 55.36 54.51 1moo s GLN 255 Cb -0.09 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.56 1moo s GLN 255 CO 0.02 0.54 0.13 0.42 -2.12 0.00 0.00 175.29 174.28 1moo s ILE 256 N -0.52 5.41 -0.08 1.08 1.01 -1.26 -4.68 121.20 122.16 1moo s ILE 256 Ca 0.07 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1moo s ILE 256 Cb -0.11 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1moo s ILE 256 CO 0.01 0.44 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1moo s LYS 257 N 0.38 3.07 -0.09 2.79 -0.14 -0.56 -1.69 119.74 123.51 1moo s LYS 257 Ca 0.08 -0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 54.27 1moo s LYS 257 Cb -0.11 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1moo s LYS 257 CO -0.02 0.71 0.09 0.00 -0.76 0.00 0.00 175.35 175.36 1moo s ALA 258 N -0.97 3.64 -1.94 5.17 0.00 0.46 -0.78 121.76 127.35 1moo s ALA 258 Ca 0.15 -0.73 0.30 0.00 0.00 0.00 0.00 51.96 51.68 1moo s ALA 258 Cb -0.12 -1.75 1.40 0.00 0.00 0.00 0.00 23.12 22.66 1moo s ALA 258 CO 0.05 0.62 1.95 -1.13 0.00 0.00 0.00 175.76 177.25 1moo n SER 259 N 1.91 0.54 -4.04 0.00 3.41 0.14 -1.58 113.62 114.00 1moo n SER 259 Ca -0.18 -0.90 -0.15 0.00 -0.26 0.00 0.00 58.87 57.38 1moo n SER 259 Cb 0.54 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1moo n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1moo s PHE 260 N -2.23 0.69 -1.48 7.33 -0.71 -1.26 -4.90 117.98 115.43 1moo s PHE 260 Ca 0.37 -0.36 0.12 0.00 -1.04 0.00 0.00 56.93 56.01 1moo s PHE 260 Cb 0.21 -0.42 0.09 0.00 -1.21 0.00 0.00 43.02 41.69 1moo s PHE 260 CO 0.41 -0.04 0.87 0.36 -1.34 0.00 0.00 175.22 175.48