#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iut s LYS 2 N 0.00 0.38 0.37 2.12 2.20 -1.26 -0.68 119.74 122.87 1iut s LYS 2 Ca 0.00 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.06 1iut s LYS 2 Cb 0.00 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1iut s LYS 2 CO 0.00 -0.08 0.52 -0.08 -0.36 0.00 0.00 175.35 175.36 1iut s THR 3 N -1.42 0.00 -0.20 3.43 -1.32 -0.35 -4.94 115.64 110.85 1iut s THR 3 Ca -0.15 -1.54 -0.18 0.00 -1.21 0.00 0.00 61.69 58.60 1iut s THR 3 Cb -0.09 -2.72 -0.15 0.00 -1.51 0.00 0.00 72.50 68.03 1iut s THR 3 CO 0.00 0.00 0.07 0.00 -2.21 0.00 0.00 174.62 172.49 1iut n GLN 4 N -0.60 0.54 -4.06 7.08 6.02 -1.15 -4.00 117.38 121.22 1iut n GLN 4 Ca 0.00 0.53 -0.31 0.00 -0.01 0.00 0.00 57.00 57.21 1iut n GLN 4 Cb 0.61 -1.71 -0.16 0.00 1.02 0.00 0.00 30.24 30.00 1iut n GLN 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1iut s VAL 5 N -2.36 1.81 -0.04 5.09 1.01 -0.76 -0.75 120.40 124.39 1iut s VAL 5 Ca -0.27 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1iut s VAL 5 Cb 0.06 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1iut s VAL 5 CO 0.51 0.46 0.52 0.00 0.00 0.00 0.00 175.10 176.59 1iut s ALA 6 N 1.38 3.52 -0.16 5.51 0.00 -0.48 -1.66 121.76 129.87 1iut s ALA 6 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.93 1iut s ALA 6 Cb -0.13 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1iut s ALA 6 CO -0.11 0.17 -0.19 0.42 0.00 0.00 0.00 175.76 176.05 1iut s ILE 7 N -0.09 1.94 -0.39 0.00 1.01 0.66 -0.77 121.20 123.57 1iut s ILE 7 Ca 0.28 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 1iut s ILE 7 Cb -0.17 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1iut s ILE 7 CO 0.14 0.52 0.45 -0.63 0.00 0.00 0.00 174.94 175.42 1iut s ILE 8 N 1.21 5.07 0.00 2.92 -1.09 -0.62 -0.23 121.20 128.47 1iut s ILE 8 Ca 0.02 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1iut s ILE 8 Cb -0.14 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1iut s ILE 8 CO -0.10 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 173.91 1iut n GLY 9 N 5.01 2.95 1.97 6.18 0.00 0.16 -1.00 105.19 120.47 1iut n GLY 9 Ca -0.07 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1iut n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iut n ALA 10 N 1.17 5.41 -1.69 4.61 0.00 -1.26 -4.00 120.51 124.75 1iut n ALA 10 Ca 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1iut n ALA 10 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1iut n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iut n GLY 11 N -0.91 0.02 0.37 0.00 0.00 -1.26 -4.74 105.19 98.67 1iut n GLY 11 Ca 0.50 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.75 1iut n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iut h PRO 12 N 0.00 0.93 0.59 1.61 0.13 -1.94 -2.24 132.00 131.09 1iut h PRO 12 Ca 0.00 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1iut h PRO 12 Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 30.92 1iut h PRO 12 CO 0.00 0.62 -0.29 0.77 -0.23 0.00 0.00 178.00 178.86 1iut h SER 13 N 0.96 -0.70 -0.67 1.44 0.02 -1.92 0.43 113.55 113.11 1iut h SER 13 Ca 0.41 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.40 1iut h SER 13 Cb 0.33 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1iut h SER 13 CO -0.17 -0.49 0.43 1.23 -1.14 0.00 0.00 176.83 176.69 1iut h GLY 14 N -0.81 0.95 0.87 -3.77 0.00 -1.66 -1.58 103.07 97.06 1iut h GLY 14 Ca -0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1iut h GLY 14 CO 0.13 0.31 -0.01 1.41 0.00 0.00 0.00 176.54 178.38 1iut h LEU 15 N 0.87 0.49 -0.38 3.11 3.38 -1.32 -0.48 115.31 120.99 1iut h LEU 15 Ca 0.25 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1iut h LEU 15 Cb -0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1iut h LEU 15 CO -0.07 0.69 0.19 0.25 0.09 0.00 0.00 178.44 179.59 1iut h LEU 16 N 0.27 0.49 -0.48 1.67 5.85 -0.80 -0.51 115.31 121.81 1iut h LEU 16 Ca 0.08 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1iut h LEU 16 Cb 0.45 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1iut h LEU 16 CO 0.02 0.47 0.26 0.25 -0.34 0.00 0.00 178.44 179.10 1iut h LEU 17 N 0.47 0.60 -1.07 2.25 5.85 -1.27 -1.00 115.31 121.14 1iut h LEU 17 Ca 0.13 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1iut h LEU 17 Cb 0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1iut h LEU 17 CO -0.02 0.51 0.34 1.23 -0.34 0.00 0.00 178.44 180.17 1iut h GLY 18 N 0.63 1.07 0.89 3.75 0.00 -0.81 -0.80 103.07 107.81 1iut h GLY 18 Ca 0.17 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 1iut h GLY 18 CO -0.03 0.49 -0.26 -1.61 0.00 0.00 0.00 176.54 175.13 1iut h GLN 19 N 0.99 0.58 -0.49 4.80 5.75 -0.71 -0.47 115.11 125.55 1iut h GLN 19 Ca 0.24 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1iut h GLN 19 Cb 0.10 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1iut h GLN 19 CO -0.03 0.91 0.23 -0.07 -2.65 0.00 0.00 178.83 177.22 1iut h LEU 20 N 0.27 0.65 -0.35 -2.39 3.38 -1.05 -1.98 115.31 113.84 1iut h LEU 20 Ca 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1iut h LEU 20 Cb 0.82 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1iut h LEU 20 CO 0.06 0.60 0.08 -0.07 0.09 0.00 0.00 178.44 179.20 1iut h LEU 21 N 0.65 0.53 -0.14 1.67 3.38 -1.06 -2.81 115.31 117.53 1iut h LEU 21 Ca 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iut h LEU 21 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1iut h LEU 21 CO -0.02 0.64 0.08 -0.74 0.09 0.00 0.00 178.44 178.49 1iut h HIS 22 N 0.41 0.16 -0.06 1.13 2.76 -0.98 -0.87 115.15 117.70 1iut h HIS 22 Ca 0.11 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1iut h HIS 22 Cb 0.32 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 1iut h HIS 22 CO 0.02 0.10 0.12 0.87 -1.30 0.00 0.00 177.93 177.74 1iut h LYS 23 N 0.18 0.00 -0.04 5.26 1.57 -1.28 -0.55 116.57 121.71 1iut h LYS 23 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1iut h LYS 23 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1iut h LYS 23 CO -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 1iut n ALA 24 N -2.16 2.48 -0.35 3.86 0.00 -0.82 -4.97 120.51 118.55 1iut n ALA 24 Ca -0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1iut n ALA 24 Cb 0.21 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1iut n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iut n GLY 25 N 1.32 0.82 3.47 0.00 0.00 -0.21 -5.05 105.19 105.53 1iut n GLY 25 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1iut n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iut s ILE 26 N -2.05 5.13 0.42 -0.61 1.01 -0.39 -5.01 121.20 119.70 1iut s ILE 26 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.84 1iut s ILE 26 Cb 0.00 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.61 1iut s ILE 26 CO 0.00 -0.19 1.29 -1.81 0.00 0.00 0.00 174.94 174.22 1iut s ASP 27 N 1.67 6.23 -0.05 3.58 1.01 -1.26 -3.56 116.67 124.29 1iut s ASP 27 Ca 0.05 2.62 -0.19 0.00 0.71 0.00 0.00 52.55 55.74 1iut s ASP 27 Cb -0.18 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.15 1iut s ASP 27 CO 0.09 -0.90 0.42 0.54 0.21 0.00 0.00 175.17 175.53 1iut s ASN 28 N -0.82 -0.35 -0.06 0.27 2.20 -1.26 -1.84 114.94 113.08 1iut s ASN 28 Ca 0.58 0.38 0.05 0.00 -0.94 0.00 0.00 52.86 52.94 1iut s ASN 28 Cb -0.37 0.47 -0.01 0.00 -2.00 0.00 0.00 41.25 39.35 1iut s ASN 28 CO 0.47 -0.43 -0.23 -0.69 -2.94 0.00 0.00 177.10 173.28 1iut s VAL 29 N -1.01 1.91 -0.16 3.54 1.01 -0.66 -4.27 120.40 120.75 1iut s VAL 29 Ca -0.11 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 1iut s VAL 29 Cb -0.04 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1iut s VAL 29 CO 0.05 0.53 0.05 -0.63 0.00 0.00 0.00 175.10 175.10 1iut s ILE 30 N -0.01 4.73 -0.18 2.22 1.01 -0.92 -0.24 121.20 127.80 1iut s ILE 30 Ca -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1iut s ILE 30 Cb -0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 1iut s ILE 30 CO 0.04 0.50 -0.09 -0.76 0.00 0.00 0.00 174.94 174.64 1iut s LEU 31 N 0.01 2.80 -0.06 2.97 1.43 0.68 -0.80 118.68 125.70 1iut s LEU 31 Ca 0.05 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1iut s LEU 31 Cb -0.12 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1iut s LEU 31 CO 0.01 0.06 -0.16 -0.70 0.23 0.00 0.00 176.35 175.79 1iut s GLU 32 N 0.97 1.97 0.13 1.70 2.56 -0.38 0.40 118.70 126.04 1iut s GLU 32 Ca -0.01 -0.58 -0.15 0.00 0.00 0.00 0.00 54.97 54.24 1iut s GLU 32 Cb -0.15 -1.62 -0.01 0.00 2.00 0.00 0.00 34.13 34.36 1iut s GLU 32 CO -0.00 0.15 1.61 -0.09 -0.56 0.00 0.00 175.26 176.36 1iut h ARG 33 N 6.62 0.71 0.00 4.30 2.43 -1.86 0.75 114.38 127.33 1iut h ARG 33 Ca -0.29 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 58.56 1iut h ARG 33 Cb 1.19 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1iut h ARG 33 CO 0.48 0.74 0.07 1.04 -1.51 0.00 0.00 179.97 180.78 1iut n GLN 34 N -4.49 0.11 -3.47 0.20 1.13 -1.26 -3.46 117.38 106.13 1iut n GLN 34 Ca -0.00 -0.68 -0.20 0.00 -1.94 0.00 0.00 57.00 54.18 1iut n GLN 34 Cb 0.24 -0.26 -0.00 0.00 0.11 0.00 0.00 30.24 30.32 1iut n GLN 34 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1iut s THR 35 N -1.13 4.30 0.25 5.09 -4.23 -1.26 -1.93 115.64 116.72 1iut s THR 35 Ca 0.19 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1iut s THR 35 Cb -0.01 -3.51 0.23 0.00 1.34 0.00 0.00 72.50 70.55 1iut s THR 35 CO 0.13 -0.23 1.86 -0.65 -0.54 0.00 0.00 174.62 175.19 1iut h PRO 36 N 0.85 0.99 -0.63 3.99 0.11 -1.99 -2.19 132.00 133.13 1iut h PRO 36 Ca -0.47 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1iut h PRO 36 Cb 1.25 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1iut h PRO 36 CO 0.55 0.65 0.07 -0.44 -0.21 0.00 0.00 178.00 178.63 1iut h ASP 37 N 1.02 1.01 -0.08 -2.05 3.32 -1.98 -1.28 116.42 116.37 1iut h ASP 37 Ca 0.40 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1iut h ASP 37 Cb 0.20 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1iut h ASP 37 CO -0.18 1.02 0.03 0.22 -1.72 0.00 0.00 179.24 178.61 1iut h TYR 38 N 0.97 0.12 -0.85 4.55 5.03 -1.81 -1.93 116.97 123.06 1iut h TYR 38 Ca 0.19 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.53 1iut h TYR 38 Cb 0.46 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.65 1iut h TYR 38 CO 0.03 0.22 0.54 0.28 -1.32 0.00 0.00 178.16 177.91 1iut h VAL 39 N -0.01 1.11 0.00 1.81 2.07 -1.25 -1.12 116.25 118.85 1iut h VAL 39 Ca 0.03 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1iut h VAL 39 Cb 0.15 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1iut h VAL 39 CO -0.00 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.96 1iut n LEU 40 N -4.58 0.43 0.07 2.57 4.32 -0.50 -2.67 117.00 116.65 1iut n LEU 40 Ca 0.11 0.61 0.13 0.00 -0.02 0.00 0.00 56.01 56.84 1iut n LEU 40 Cb 0.11 -0.55 0.43 0.00 -1.62 0.00 0.00 43.42 41.79 1iut n LEU 40 CO 0.33 -0.46 0.83 0.61 -1.22 0.00 0.00 177.39 177.49 1iut n GLY 41 N -0.03 -1.61 3.68 -0.72 0.00 -0.42 -4.82 105.19 101.27 1iut n GLY 41 Ca 0.03 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1iut n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iut s ARG 42 N -3.08 4.34 -0.09 1.61 0.52 -1.09 -4.96 118.95 116.20 1iut s ARG 42 Ca 0.11 1.57 -0.01 0.00 -0.52 0.00 0.00 55.73 56.88 1iut s ARG 42 Cb 0.14 -3.59 -0.00 0.00 0.52 0.00 0.00 34.95 32.02 1iut s ARG 42 CO 0.60 -0.47 0.03 0.82 0.02 0.00 0.00 175.30 176.30 1iut h ILE 43 N 5.14 0.00 0.00 1.52 1.08 -1.91 -3.38 117.51 119.96 1iut h ILE 43 Ca -0.31 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1iut h ILE 43 Cb 1.14 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1iut h ILE 43 CO 0.90 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.90 1iut n ARG 44 N -4.75 0.00 -1.47 2.37 1.74 -1.26 -3.99 116.66 109.30 1iut n ARG 44 Ca -0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1iut n ARG 44 Cb 0.01 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.53 1iut n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iut n ALA 45 N 8.94 0.23 0.00 7.54 0.00 -1.26 -4.83 120.51 131.14 1iut n ALA 45 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1iut n ALA 45 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1iut n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iut n GLY 46 N 1.02 0.00 3.42 0.00 0.00 -1.26 -0.80 105.19 107.56 1iut n GLY 46 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1iut n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iut s VAL 47 N -0.60 3.70 -0.06 1.61 1.01 -1.26 -1.30 120.40 123.50 1iut s VAL 47 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1iut s VAL 47 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1iut s VAL 47 CO 0.00 0.45 -0.18 -0.76 0.00 0.00 0.00 175.10 174.61 1iut s LEU 48 N 0.89 2.49 0.73 3.92 1.43 0.14 -4.83 118.68 123.45 1iut s LEU 48 Ca -0.00 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1iut s LEU 48 Cb -0.15 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.61 1iut s LEU 48 CO 0.01 0.29 1.09 -1.61 0.23 0.00 0.00 176.35 176.37 1iut s GLU 49 N -0.44 2.67 0.35 1.70 2.02 -1.26 -0.63 118.70 123.12 1iut s GLU 49 Ca 0.05 0.55 0.04 0.00 0.02 0.00 0.00 54.97 55.63 1iut s GLU 49 Cb -0.12 -1.99 0.66 0.00 0.10 0.00 0.00 34.13 32.77 1iut s GLU 49 CO 0.02 -1.19 1.94 0.37 0.02 0.00 0.00 175.26 176.42 1iut h GLN 50 N -0.77 0.60 -0.64 1.61 5.75 -1.72 -1.79 115.11 118.15 1iut h GLN 50 Ca -0.45 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 1iut h GLN 50 Cb 1.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 1iut h GLN 50 CO 0.62 0.52 0.33 0.78 -2.65 0.00 0.00 178.83 178.43 1iut h GLY 51 N 0.78 0.96 1.43 2.39 0.00 -1.92 -1.06 103.07 105.63 1iut h GLY 51 Ca 0.14 -0.43 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 1iut h GLY 51 CO -0.01 0.42 -0.76 1.98 0.00 0.00 0.00 176.54 178.17 1iut h MET 52 N 0.90 0.56 -0.75 4.80 1.85 -1.71 -2.39 114.93 118.19 1iut h MET 52 Ca 0.23 -0.46 -0.01 0.00 -0.61 0.00 0.00 59.70 58.84 1iut h MET 52 Cb 0.06 0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 1iut h MET 52 CO -0.03 1.09 0.42 0.28 -0.40 0.00 0.00 176.91 178.26 1iut h VAL 53 N 0.38 1.23 -0.09 -5.77 2.07 -0.91 -1.44 116.25 111.72 1iut h VAL 53 Ca -0.04 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 1iut h VAL 53 Cb 1.36 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1iut h VAL 53 CO 0.14 0.25 -0.40 0.44 0.02 0.00 0.00 177.57 178.01 1iut h ASP 54 N 1.04 0.20 -0.12 0.57 3.32 -1.15 -2.29 116.42 117.99 1iut h ASP 54 Ca 0.26 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 1iut h ASP 54 Cb 0.03 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1iut h ASP 54 CO -0.04 0.59 -0.56 0.25 -1.72 0.00 0.00 179.24 177.76 1iut h LEU 55 N 0.16 0.79 -0.90 1.55 5.85 -1.00 -1.06 115.31 120.69 1iut h LEU 55 Ca 0.01 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 1iut h LEU 55 Cb 0.79 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1iut h LEU 55 CO 0.06 1.18 0.15 -0.07 -0.34 0.00 0.00 178.44 179.43 1iut h LEU 56 N 0.54 0.90 -0.42 2.25 4.07 -1.04 -0.76 115.31 120.86 1iut h LEU 56 Ca 0.01 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.74 1iut h LEU 56 Cb 1.13 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1iut h LEU 56 CO 0.11 0.87 0.03 -0.09 -1.08 0.00 0.00 178.44 178.28 1iut h ARG 57 N 0.92 0.72 -0.26 1.13 2.43 -1.22 -1.15 114.38 116.96 1iut h ARG 57 Ca 0.20 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1iut h ARG 57 Cb 0.32 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1iut h ARG 57 CO -0.00 0.78 -0.04 1.49 -1.51 0.00 0.00 179.97 180.69 1iut h GLU 58 N 0.56 0.39 0.00 0.20 4.81 -0.77 -0.64 114.58 119.14 1iut h GLU 58 Ca 0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1iut h GLU 58 Cb 0.44 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1iut h GLU 58 CO 0.02 0.45 0.00 0.00 -0.73 0.00 0.00 179.01 178.75 1iut n ALA 59 N -2.48 2.45 -1.41 2.92 0.00 -0.33 -4.90 120.51 116.76 1iut n ALA 59 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1iut n ALA 59 Cb 0.24 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1iut n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iut n GLY 60 N 1.21 0.71 2.56 0.00 0.00 -0.25 -4.87 105.19 104.55 1iut n GLY 60 Ca 0.14 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.16 1iut n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1iut n VAL 61 N -3.08 2.57 0.06 1.61 0.24 -0.49 -4.73 118.33 114.50 1iut n VAL 61 Ca -0.07 -4.97 0.01 0.00 -2.04 0.00 0.00 64.34 57.27 1iut n VAL 61 Cb 0.30 -1.28 0.01 0.00 -1.47 0.00 0.00 33.84 31.39 1iut n VAL 61 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1iut n ASP 62 N -0.46 1.26 0.14 -1.34 5.75 -1.25 -4.77 116.55 115.88 1iut n ASP 62 Ca 0.39 -1.18 -0.15 0.00 -0.01 0.00 0.00 54.79 53.85 1iut n ASP 62 Cb 0.60 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.61 1iut n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1iut h ARG 63 N 0.34 -0.67 -0.46 0.11 2.43 -1.95 0.70 114.38 114.89 1iut h ARG 63 Ca 0.00 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1iut h ARG 63 Cb 0.12 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1iut h ARG 63 CO 0.00 -0.44 -0.02 0.00 -1.51 0.00 0.00 179.97 177.99 1iut h ARG 64 N -0.69 0.77 -0.60 0.20 3.08 -2.00 -2.52 114.38 112.62 1iut h ARG 64 Ca 0.01 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1iut h ARG 64 Cb 0.70 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1iut h ARG 64 CO -0.21 0.79 0.08 1.98 -1.07 0.00 0.00 179.97 181.54 1iut h MET 65 N 0.71 1.01 -0.18 0.04 4.05 -1.77 0.21 114.93 119.00 1iut h MET 65 Ca 0.14 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 1iut h MET 65 Cb 0.47 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1iut h MET 65 CO 0.02 0.95 -0.10 0.00 0.23 0.00 0.00 176.91 178.01 1iut h ALA 66 N 1.01 1.49 0.00 0.39 0.00 -0.63 0.10 119.26 121.62 1iut h ALA 66 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iut h ALA 66 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1iut h ALA 66 CO 0.01 0.36 -0.00 -0.09 0.00 0.00 0.00 179.25 179.53 1iut h ARG 67 N 0.27 -0.00 0.00 0.00 2.43 -1.07 -3.41 114.38 112.59 1iut h ARG 67 Ca 0.06 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.00 1iut h ARG 67 Cb 0.36 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1iut h ARG 67 CO 0.02 0.90 -1.73 -0.25 -1.51 0.00 0.00 179.97 177.40 1iut n ASP 68 N -4.63 0.61 -4.75 -3.80 8.00 0.70 -4.98 116.55 107.71 1iut n ASP 68 Ca -0.09 0.28 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 1iut n ASP 68 Cb 0.43 0.44 0.04 0.00 -0.02 0.00 0.00 41.12 42.01 1iut n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1iut s GLY 69 N -4.99 2.81 -0.18 0.44 0.00 0.35 -4.97 107.32 100.78 1iut s GLY 69 Ca -0.05 1.13 -0.05 0.00 0.00 0.00 0.00 44.72 45.75 1iut s GLY 69 CO 0.83 1.57 0.00 1.08 0.00 0.00 0.00 173.10 176.58 1iut s LEU 70 N -3.90 3.38 -0.19 0.66 2.01 -0.41 -4.93 118.68 115.29 1iut s LEU 70 Ca 0.76 -0.12 -0.19 0.00 0.01 0.00 0.00 54.13 54.59 1iut s LEU 70 Cb -0.34 -1.84 -0.03 0.00 0.01 0.00 0.00 46.19 43.98 1iut s LEU 70 CO 0.38 0.12 0.56 -0.69 1.01 0.00 0.00 176.35 177.73 1iut s VAL 71 N 0.68 5.08 -0.14 -1.59 1.01 -1.26 -0.36 120.40 123.81 1iut s VAL 71 Ca -0.00 1.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.98 1iut s VAL 71 Cb -0.14 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1iut s VAL 71 CO 0.02 0.16 -0.02 -1.00 0.00 0.00 0.00 175.10 174.26 1iut s HIS 72 N 1.68 3.07 -1.89 5.22 3.76 -0.06 -4.99 115.29 122.09 1iut s HIS 72 Ca 0.26 -0.14 0.20 0.00 -0.15 0.00 0.00 55.06 55.23 1iut s HIS 72 Cb -0.16 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.63 1iut s HIS 72 CO 0.10 0.11 1.00 0.39 -0.85 0.00 0.00 174.74 175.49 1iut n GLU 73 N 3.19 1.52 -3.91 1.40 1.02 -1.26 -2.64 120.64 119.95 1iut n GLU 73 Ca -0.17 -1.04 -0.11 0.00 -0.02 0.00 0.00 57.16 55.82 1iut n GLU 73 Cb 0.53 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1iut n GLU 73 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1iut s GLY 74 N -2.11 0.70 -0.01 0.62 0.00 -1.26 -1.02 107.32 104.24 1iut s GLY 74 Ca 0.17 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.66 1iut s GLY 74 CO 0.45 -0.52 0.59 0.54 0.00 0.00 0.00 173.10 174.16 1iut s VAL 75 N -2.71 0.01 0.09 1.40 0.11 -1.06 -4.55 120.40 113.70 1iut s VAL 75 Ca 0.20 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.21 1iut s VAL 75 Cb -0.04 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1iut s VAL 75 CO 0.14 -0.06 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.10 1iut s GLU 76 N -1.70 2.02 -0.12 1.54 2.02 0.01 -1.09 118.70 121.39 1iut s GLU 76 Ca -0.09 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1iut s GLU 76 Cb -0.01 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 32.01 1iut s GLU 76 CO 0.05 0.51 -0.11 0.42 0.02 0.00 0.00 175.26 176.15 1iut s ILE 77 N -1.14 1.24 -0.12 -1.63 1.01 -0.29 -0.67 121.20 119.60 1iut s ILE 77 Ca 0.19 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1iut s ILE 77 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1iut s ILE 77 CO 0.11 0.40 -0.05 0.00 0.00 0.00 0.00 174.94 175.40 1iut s ALA 78 N 1.47 3.01 -0.07 9.38 0.00 0.68 -1.04 121.76 135.20 1iut s ALA 78 Ca 0.02 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1iut s ALA 78 Cb -0.13 -1.45 0.08 0.00 0.00 0.00 0.00 23.12 21.62 1iut s ALA 78 CO -0.07 0.35 0.71 -0.59 0.00 0.00 0.00 175.76 176.16 1iut s PHE 79 N -0.08 -0.63 -1.47 0.00 -0.71 -0.18 -0.46 117.98 114.44 1iut s PHE 79 Ca 0.02 1.10 -0.01 0.00 -1.04 0.00 0.00 56.93 56.99 1iut s PHE 79 Cb -0.13 0.41 0.01 0.00 -1.21 0.00 0.00 43.02 42.10 1iut s PHE 79 CO 0.03 -0.58 0.28 0.00 -1.34 0.00 0.00 175.22 173.61 1iut n ALA 80 N 0.93 -1.97 -2.96 1.99 0.00 -1.26 -1.32 120.51 115.91 1iut n ALA 80 Ca -0.18 -0.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.74 1iut n ALA 80 Cb 0.57 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1iut n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iut n GLY 81 N -2.17 -0.39 3.34 0.00 0.00 -1.26 -5.00 105.19 99.71 1iut n GLY 81 Ca -0.30 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1iut n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iut s GLN 82 N -5.60 0.75 -0.12 1.61 -2.07 -0.44 -5.15 119.66 108.64 1iut s GLN 82 Ca 0.28 0.11 0.02 0.00 -1.82 0.00 0.00 55.36 53.94 1iut s GLN 82 Cb -0.12 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1iut s GLN 82 CO 0.35 -0.20 -0.18 1.03 -1.32 0.00 0.00 175.29 174.97 1iut s ARG 83 N -0.97 3.22 -0.09 9.60 0.52 -1.26 -1.01 118.95 128.96 1iut s ARG 83 Ca -0.10 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1iut s ARG 83 Cb -0.03 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.94 1iut s ARG 83 CO 0.05 0.16 -0.19 1.03 0.02 0.00 0.00 175.30 176.36 1iut s ARG 84 N 0.45 2.56 -0.14 3.54 1.81 -0.20 -4.97 118.95 122.00 1iut s ARG 84 Ca -0.13 -0.71 -0.13 0.00 -1.72 0.00 0.00 55.73 53.05 1iut s ARG 84 Cb -0.17 -2.01 -0.05 0.00 -0.45 0.00 0.00 34.95 32.28 1iut s ARG 84 CO 0.06 0.09 0.26 0.50 -0.68 0.00 0.00 175.30 175.53 1iut s ARG 85 N 0.55 4.11 -0.32 3.54 3.52 -1.26 -1.13 118.95 127.95 1iut s ARG 85 Ca -0.15 0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 1iut s ARG 85 Cb -0.17 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 1iut s ARG 85 CO 0.05 0.36 0.18 0.42 -0.81 0.00 0.00 175.30 175.51 1iut s ILE 86 N 0.10 4.87 -0.86 4.11 1.01 -0.25 -4.99 121.20 125.19 1iut s ILE 86 Ca 0.16 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 1iut s ILE 86 Cb -0.13 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1iut s ILE 86 CO 0.04 0.05 1.31 -0.62 0.00 0.00 0.00 174.94 175.71 1iut s ASP 87 N 1.66 6.34 0.14 3.58 -1.08 -1.26 -2.58 116.67 123.47 1iut s ASP 87 Ca 0.05 -1.05 -0.17 0.00 -0.52 0.00 0.00 52.55 50.86 1iut s ASP 87 Cb -0.17 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1iut s ASP 87 CO 0.08 -1.60 1.78 -0.07 0.52 0.00 0.00 175.17 175.88 1iut h LEU 88 N 12.55 0.29 -0.26 -1.34 3.38 -1.42 -1.33 115.31 127.18 1iut h LEU 88 Ca -0.05 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1iut h LEU 88 Cb 1.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1iut h LEU 88 CO 1.32 0.21 0.13 0.50 0.09 0.00 0.00 178.44 180.69 1iut h LYS 89 N 0.37 0.27 -0.01 1.13 3.64 -1.46 0.72 116.57 121.24 1iut h LYS 89 Ca 0.12 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1iut h LYS 89 Cb 0.01 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1iut h LYS 89 CO -0.06 0.18 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.20 1iut h ARG 90 N 0.28 0.02 0.00 1.90 1.12 -1.83 1.01 114.38 116.88 1iut h ARG 90 Ca 0.11 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.93 1iut h ARG 90 Cb 0.03 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 1iut h ARG 90 CO -0.07 0.42 -0.19 -0.07 -3.11 0.00 0.00 179.97 176.94 1iut h LEU 91 N -0.38 0.00 -1.88 3.80 -0.00 -1.16 -2.99 115.31 112.70 1iut h LEU 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1iut h LEU 91 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1iut h LEU 91 CO 0.00 0.19 0.00 -1.54 -0.00 0.00 0.00 178.44 177.09 1iut n SER 92 N -3.33 2.90 -0.13 -0.43 3.41 0.24 -4.73 113.62 111.55 1iut n SER 92 Ca 0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1iut n SER 92 Cb 0.42 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1iut n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iut n GLY 93 N 1.35 0.81 0.00 5.00 0.00 -1.13 -4.38 105.19 106.84 1iut n GLY 93 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1iut n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iut n GLY 94 N -0.79 0.38 3.87 -0.02 0.00 0.35 -5.03 105.19 103.94 1iut n GLY 94 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1iut n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iut s LYS 95 N -0.88 3.71 0.35 1.61 1.02 -1.26 -4.89 119.74 119.40 1iut s LYS 95 Ca 0.00 0.63 0.07 0.00 0.02 0.00 0.00 55.97 56.69 1iut s LYS 95 Cb 0.00 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1iut s LYS 95 CO 0.00 -0.31 0.25 0.95 -0.92 0.00 0.00 175.35 175.32 1iut s THR 96 N -2.79 0.09 0.22 2.17 -4.23 -1.26 -3.27 115.64 106.57 1iut s THR 96 Ca 0.54 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1iut s THR 96 Cb -0.10 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 1iut s THR 96 CO 0.42 0.00 -0.15 0.68 -0.54 0.00 0.00 174.62 175.03 1iut s VAL 97 N -3.40 1.84 -0.07 2.29 -7.23 -1.08 -4.08 120.40 108.66 1iut s VAL 97 Ca 0.38 -2.24 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 1iut s VAL 97 Cb 0.02 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 1iut s VAL 97 CO 0.25 -0.56 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.36 1iut s THR 98 N -2.91 2.17 -0.36 5.32 2.01 0.20 -0.88 115.64 121.19 1iut s THR 98 Ca 0.24 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1iut s THR 98 Cb -0.01 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.70 1iut s THR 98 CO 0.08 0.57 0.25 -0.69 -0.69 0.00 0.00 174.62 174.14 1iut s VAL 99 N -0.08 5.16 -0.26 3.82 1.01 0.51 0.25 120.40 130.82 1iut s VAL 99 Ca -0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1iut s VAL 99 Cb -0.14 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1iut s VAL 99 CO 0.05 -0.12 0.53 -0.47 0.00 0.00 0.00 175.10 175.09 1iut s TYR 100 N 1.68 -1.12 0.55 5.22 5.04 -0.42 -1.29 117.35 127.02 1iut s TYR 100 Ca 0.05 1.84 -0.20 0.00 -2.44 0.00 0.00 57.07 56.32 1iut s TYR 100 Cb -0.18 0.53 -0.06 0.00 0.35 0.00 0.00 41.96 42.59 1iut s TYR 100 CO 0.10 -0.62 1.01 0.41 -1.34 0.00 0.00 175.55 175.11 1iut n GLY 101 N 5.42 -0.19 0.29 8.97 0.00 -1.26 -4.56 105.19 113.85 1iut n GLY 101 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1iut n GLY 101 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1iut h GLN 102 N 0.87 0.66 -0.75 1.61 4.15 -1.13 -1.58 115.11 118.94 1iut h GLN 102 Ca -0.48 -0.13 0.03 0.00 0.77 0.00 0.00 58.65 58.84 1iut h GLN 102 Cb 1.35 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.89 1iut h GLN 102 CO 0.53 0.63 0.48 1.15 -1.93 0.00 0.00 178.83 179.69 1iut h THR 103 N 0.64 1.12 -0.34 2.39 2.02 -1.76 -0.19 112.91 116.78 1iut h THR 103 Ca 0.14 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 1iut h THR 103 Cb 0.29 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1iut h THR 103 CO 0.00 0.17 -0.13 -0.33 0.37 0.00 0.00 175.52 175.61 1iut h GLU 104 N 0.93 0.69 -0.79 6.66 3.07 -1.73 -1.35 114.58 122.06 1iut h GLU 104 Ca 0.30 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1iut h GLU 104 Cb 0.00 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 1iut h GLU 104 CO -0.11 0.88 0.50 0.28 -1.40 0.00 0.00 179.01 179.16 1iut h VAL 105 N 0.47 1.22 -0.54 3.13 2.07 -0.96 -0.61 116.25 121.03 1iut h VAL 105 Ca 0.08 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1iut h VAL 105 Cb 0.65 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1iut h VAL 105 CO 0.04 0.22 -0.06 0.74 0.02 0.00 0.00 177.57 178.53 1iut h THR 106 N 1.08 1.26 -0.60 2.57 2.02 -0.88 -1.86 112.91 116.50 1iut h THR 106 Ca 0.29 -1.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.22 1iut h THR 106 Cb -0.07 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1iut h THR 106 CO -0.06 0.42 0.16 -0.09 0.37 0.00 0.00 175.52 176.32 1iut h ARG 107 N 0.89 0.95 -0.40 6.66 2.43 -0.83 -1.09 114.38 122.99 1iut h ARG 107 Ca 0.15 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1iut h ARG 107 Cb 0.60 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1iut h ARG 107 CO 0.04 0.87 0.21 -0.44 -1.51 0.00 0.00 179.97 179.13 1iut h ASP 108 N 0.87 0.51 -0.44 -3.80 3.32 -0.85 -1.93 116.42 114.09 1iut h ASP 108 Ca 0.19 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1iut h ASP 108 Cb 0.34 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1iut h ASP 108 CO 0.00 0.47 0.09 -0.07 -1.72 0.00 0.00 179.24 178.01 1iut h LEU 109 N 0.51 0.68 -0.76 1.55 3.38 -1.17 -1.78 115.31 117.71 1iut h LEU 109 Ca 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1iut h LEU 109 Cb 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1iut h LEU 109 CO -0.02 0.75 0.47 0.24 0.09 0.00 0.00 178.44 179.97 1iut h MET 110 N 0.59 1.03 -0.55 1.13 2.86 -1.07 0.79 114.93 119.71 1iut h MET 110 Ca 0.14 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1iut h MET 110 Cb 0.35 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1iut h MET 110 CO 0.00 0.72 -0.01 0.93 1.06 0.00 0.00 176.91 179.62 1iut h GLU 111 N 1.04 0.98 -0.51 1.72 5.08 -1.30 -1.49 114.58 120.10 1iut h GLU 111 Ca 0.27 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1iut h GLU 111 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1iut h GLU 111 CO -0.05 0.99 0.15 0.00 -1.00 0.00 0.00 179.01 179.10 1iut h ALA 112 N 0.96 0.66 -0.52 3.43 0.00 -0.89 -2.17 119.26 120.73 1iut h ALA 112 Ca 0.16 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1iut h ALA 112 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1iut h ALA 112 CO 0.03 0.33 -0.14 -0.09 0.00 0.00 0.00 179.25 179.37 1iut h ARG 113 N 0.69 1.01 -0.40 0.00 2.43 -0.74 -2.49 114.38 114.88 1iut h ARG 113 Ca 0.16 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1iut h ARG 113 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1iut h ARG 113 CO -0.00 1.07 0.19 1.49 -1.51 0.00 0.00 179.97 181.20 1iut h GLU 114 N 0.89 0.59 -0.16 0.20 4.81 -1.16 -2.47 114.58 117.28 1iut h GLU 114 Ca 0.13 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1iut h GLU 114 Cb 0.71 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1iut h GLU 114 CO 0.05 0.52 0.01 0.00 -0.73 0.00 0.00 179.01 178.87 1iut h ALA 115 N 1.03 1.72 0.00 2.92 0.00 -1.29 -1.75 119.26 121.90 1iut h ALA 115 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iut h ALA 115 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1iut h ALA 115 CO -0.02 0.22 -0.12 0.00 0.00 0.00 0.00 179.25 179.33 1iut n GLY 117 N 1.39 0.73 3.80 0.00 0.00 -0.66 -5.02 105.19 105.43 1iut n GLY 117 Ca 0.06 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1iut n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iut s ALA 118 N -2.20 2.74 0.05 4.61 0.00 -1.15 -4.99 121.76 120.84 1iut s ALA 118 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1iut s ALA 118 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1iut s ALA 118 CO 0.00 -0.80 1.16 0.99 0.00 0.00 0.00 175.76 177.11 1iut s THR 119 N -2.44 4.18 -0.04 0.00 2.01 -1.26 -4.83 115.64 113.26 1iut s THR 119 Ca 0.64 1.57 -0.01 0.00 0.31 0.00 0.00 61.69 64.19 1iut s THR 119 Cb -0.16 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.38 1iut s THR 119 CO 0.37 0.13 0.06 -0.89 -0.69 0.00 0.00 174.62 173.59 1iut s THR 120 N 1.02 -0.10 -0.39 -0.82 2.01 -1.26 -2.17 115.64 113.93 1iut s THR 120 Ca 0.57 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 1iut s THR 120 Cb -0.28 -0.14 0.09 0.00 0.01 0.00 0.00 72.50 72.19 1iut s THR 120 CO 0.29 0.14 0.18 -0.69 -0.69 0.00 0.00 174.62 173.85 1iut s VAL 121 N 1.71 3.49 0.62 3.82 1.01 0.02 -4.98 120.40 126.09 1iut s VAL 121 Ca -0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.11 1iut s VAL 121 Cb -0.12 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1iut s VAL 121 CO -0.03 -0.54 0.99 -0.31 0.00 0.00 0.00 175.10 175.21 1iut s TYR 122 N 1.24 3.47 -1.46 5.22 2.02 -1.26 -1.25 117.35 125.32 1iut s TYR 122 Ca 0.04 1.05 -0.04 0.00 -0.37 0.00 0.00 57.07 57.75 1iut s TYR 122 Cb -0.22 -2.76 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 1iut s TYR 122 CO -0.02 -0.79 0.35 1.04 -1.57 0.00 0.00 175.55 174.56 1iut n GLN 123 N -2.72 -3.46 -2.56 -0.62 6.02 0.11 -4.87 117.38 109.27 1iut n GLN 123 Ca 0.05 0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 57.41 1iut n GLN 123 Cb 0.56 -5.54 -0.03 0.00 1.02 0.00 0.00 30.24 26.25 1iut n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iut s ALA 124 N -3.00 2.90 0.29 -1.58 0.00 -0.35 -4.70 121.76 115.32 1iut s ALA 124 Ca 0.21 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 1iut s ALA 124 Cb -0.10 -4.12 -0.06 0.00 0.00 0.00 0.00 23.12 18.84 1iut s ALA 124 CO 0.26 -2.90 0.59 0.00 0.00 0.00 0.00 175.76 173.70 1iut s ALA 125 N 5.28 3.56 -1.38 0.00 0.00 -0.33 -3.95 121.76 124.95 1iut s ALA 125 Ca 0.40 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 1iut s ALA 125 Cb -0.08 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1iut s ALA 125 CO 0.22 0.27 0.42 0.39 0.00 0.00 0.00 175.76 177.06 1iut n GLU 126 N -0.79 -2.43 -1.97 0.00 4.71 -1.26 -0.40 120.64 118.49 1iut n GLU 126 Ca -0.00 0.34 -0.42 0.00 -0.01 0.00 0.00 57.16 57.07 1iut n GLU 126 Cb 0.54 -4.18 -0.03 0.00 -1.01 0.00 0.00 31.44 26.75 1iut n GLU 126 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1iut s VAL 127 N -3.93 2.65 0.01 2.62 1.01 -1.26 -4.43 120.40 117.08 1iut s VAL 127 Ca 0.10 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1iut s VAL 127 Cb -0.04 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1iut s VAL 127 CO 0.91 0.05 -0.11 -0.13 0.00 0.00 0.00 175.10 175.82 1iut s ARG 128 N 0.56 0.81 -0.09 2.72 1.81 -0.16 -4.96 118.95 119.64 1iut s ARG 128 Ca 0.66 -0.53 -0.02 0.00 -1.72 0.00 0.00 55.73 54.12 1iut s ARG 128 Cb -0.43 -0.77 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 1iut s ARG 128 CO 0.36 0.20 0.00 -0.51 -0.68 0.00 0.00 175.30 174.67 1iut s LEU 129 N -0.67 3.59 0.07 2.53 1.02 -1.26 -1.43 118.68 122.52 1iut s LEU 129 Ca 0.02 0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.33 1iut s LEU 129 Cb -0.06 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1iut s LEU 129 CO 0.00 0.37 -0.08 -1.00 0.02 0.00 0.00 176.35 175.66 1iut s HIS 130 N -0.81 0.80 -1.42 0.29 3.76 -0.23 -4.90 115.29 112.79 1iut s HIS 130 Ca 0.12 -0.63 -0.02 0.00 -0.15 0.00 0.00 55.06 54.39 1iut s HIS 130 Cb -0.11 -0.47 0.01 0.00 1.11 0.00 0.00 32.58 33.12 1iut s HIS 130 CO 0.02 -0.09 0.49 -0.25 -0.85 0.00 0.00 174.74 174.07 1iut n ASP 131 N 0.93 -0.75 0.27 1.40 9.92 -1.26 -1.98 116.55 125.09 1iut n ASP 131 Ca -0.19 -0.98 0.10 0.00 -0.53 0.00 0.00 54.79 53.19 1iut n ASP 131 Cb 0.57 -3.18 0.71 0.00 -0.64 0.00 0.00 41.12 38.58 1iut n ASP 131 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1iut h LEU 132 N -1.83 0.00 -1.39 0.64 3.38 -1.93 -1.56 115.31 112.63 1iut h LEU 132 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1iut h LEU 132 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1iut h LEU 132 CO 0.63 0.02 -0.18 0.00 0.09 0.00 0.00 178.44 179.00 1iut n GLN 133 N -4.29 1.76 -1.86 1.13 6.02 -1.26 -0.77 117.38 118.12 1iut n GLN 133 Ca -0.03 -1.39 -0.30 0.00 -0.01 0.00 0.00 57.00 55.27 1iut n GLN 133 Cb 0.11 -1.47 0.19 0.00 1.02 0.00 0.00 30.24 30.08 1iut n GLN 133 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1iut s GLY 134 N -2.20 1.76 0.01 1.08 0.00 -0.58 -4.94 107.32 102.45 1iut s GLY 134 Ca 0.26 -1.16 0.26 0.00 0.00 0.00 0.00 44.72 44.09 1iut s GLY 134 CO 0.41 -0.39 1.58 -1.84 0.00 0.00 0.00 173.10 172.86 1iut n GLU 135 N -3.84 0.03 -3.42 2.90 0.28 -1.26 -4.46 120.64 110.87 1iut n GLU 135 Ca 0.15 0.01 -0.26 0.00 -0.16 0.00 0.00 57.16 56.89 1iut n GLU 135 Cb 0.59 -1.52 -0.10 0.00 1.43 0.00 0.00 31.44 31.85 1iut n GLU 135 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1iut n ARG 136 N -1.57 0.64 -1.51 3.44 1.74 -1.26 -4.92 116.66 113.22 1iut n ARG 136 Ca 0.06 -3.44 -0.31 0.00 -0.77 0.00 0.00 57.85 53.39 1iut n ARG 136 Cb 0.35 -1.68 0.07 0.00 -1.02 0.00 0.00 32.46 30.18 1iut n ARG 136 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1iut s PRO 137 N -0.55 2.46 0.12 5.56 0.04 -1.25 -4.87 135.00 136.50 1iut s PRO 137 Ca 0.33 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1iut s PRO 137 Cb 0.06 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1iut s PRO 137 CO -0.17 -1.41 0.29 1.52 0.04 0.00 0.00 177.00 177.27 1iut s TYR 138 N -3.07 0.08 -0.04 0.56 1.13 -0.84 -2.66 117.35 112.51 1iut s TYR 138 Ca 0.60 -0.46 0.06 0.00 -1.41 0.00 0.00 57.07 55.86 1iut s TYR 138 Cb -0.15 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 1iut s TYR 138 CO 0.55 -0.65 -0.22 0.08 -2.51 0.00 0.00 175.55 172.80 1iut s VAL 139 N -3.87 1.79 0.07 -3.49 1.01 0.39 -1.07 120.40 115.23 1iut s VAL 139 Ca 0.07 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1iut s VAL 139 Cb 0.03 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1iut s VAL 139 CO -0.09 0.50 -0.25 0.42 0.00 0.00 0.00 175.10 175.69 1iut s THR 140 N -0.29 2.31 0.28 3.92 -4.23 -0.51 0.19 115.64 117.31 1iut s THR 140 Ca 0.02 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 1iut s THR 140 Cb -0.11 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.79 1iut s THR 140 CO 0.01 0.28 0.59 0.72 -0.54 0.00 0.00 174.62 175.68 1iut s PHE 141 N -0.91 0.18 -0.09 3.99 -0.71 -0.67 -0.99 117.98 118.78 1iut s PHE 141 Ca 0.13 -0.60 0.04 0.00 -1.04 0.00 0.00 56.93 55.46 1iut s PHE 141 Cb -0.10 0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 42.12 1iut s PHE 141 CO 0.04 -1.14 -0.22 -1.21 -1.34 0.00 0.00 175.22 171.35 1iut s GLU 142 N -3.79 2.99 -0.17 1.99 2.02 0.46 0.10 118.70 122.29 1iut s GLU 142 Ca 0.18 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1iut s GLU 142 Cb -0.03 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.90 1iut s GLU 142 CO 0.09 0.24 -0.10 0.50 0.02 0.00 0.00 175.26 176.01 1iut s ARG 143 N 0.20 1.95 -1.44 1.61 3.52 -0.82 -1.18 118.95 122.78 1iut s ARG 143 Ca -0.13 -0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 54.73 1iut s ARG 143 Cb -0.16 -2.18 0.01 0.00 -1.56 0.00 0.00 34.95 31.05 1iut s ARG 143 CO 0.07 -0.36 0.25 -0.40 -0.81 0.00 0.00 175.30 174.04 1iut n ASP 144 N 4.77 -0.60 0.00 -2.12 5.68 -1.26 -2.35 116.55 120.67 1iut n ASP 144 Ca -0.15 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1iut n ASP 144 Cb 0.48 -1.90 0.00 0.00 -1.14 0.00 0.00 41.12 38.56 1iut n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iut n GLY 145 N -2.35 3.03 3.78 6.12 0.00 -1.26 -5.04 105.19 109.46 1iut n GLY 145 Ca -0.27 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.54 1iut n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iut s GLU 146 N 0.00 4.15 -0.32 1.61 -1.05 -0.99 -5.04 118.70 117.07 1iut s GLU 146 Ca 0.00 0.42 -0.27 0.00 -0.15 0.00 0.00 54.97 54.97 1iut s GLU 146 Cb 0.00 -3.33 0.01 0.00 -0.44 0.00 0.00 34.13 30.37 1iut s GLU 146 CO 0.00 0.42 0.99 0.50 0.95 0.00 0.00 175.26 178.12 1iut s ARG 147 N -0.21 4.03 0.23 -4.83 6.06 -1.26 -1.95 118.95 121.02 1iut s ARG 147 Ca 0.24 0.92 0.07 0.00 -2.50 0.00 0.00 55.73 54.47 1iut s ARG 147 Cb -0.16 -3.73 -0.04 0.00 0.06 0.00 0.00 34.95 31.08 1iut s ARG 147 CO 0.11 -0.83 0.15 -0.51 -2.50 0.00 0.00 175.30 171.72 1iut s LEU 148 N 3.44 3.71 -0.05 -0.88 1.43 0.11 -4.94 118.68 121.50 1iut s LEU 148 Ca 0.41 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1iut s LEU 148 Cb -0.13 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1iut s LEU 148 CO 0.14 0.00 -0.25 -0.60 0.23 0.00 0.00 176.35 175.87 1iut s ARG 149 N -3.58 2.43 -0.17 1.70 3.52 -1.26 -1.67 118.95 119.91 1iut s ARG 149 Ca 0.32 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 1iut s ARG 149 Cb -0.08 -2.13 0.03 0.00 -1.56 0.00 0.00 34.95 31.20 1iut s ARG 149 CO 0.24 0.44 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.85 1iut s LEU 150 N -0.30 1.93 0.14 -0.88 2.96 0.13 -3.68 118.68 118.98 1iut s LEU 150 Ca 0.01 -0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 53.17 1iut s LEU 150 Cb -0.13 -1.24 -0.07 0.00 0.50 0.00 0.00 46.19 45.26 1iut s LEU 150 CO 0.02 -0.07 0.50 -1.81 -1.32 0.00 0.00 176.35 173.67 1iut s ASP 151 N 1.43 6.71 0.34 3.68 1.01 0.15 -0.47 116.67 129.53 1iut s ASP 151 Ca 0.03 0.93 -0.13 0.00 0.71 0.00 0.00 52.55 54.09 1iut s ASP 151 Cb -0.14 -2.23 0.03 0.00 1.01 0.00 0.00 42.92 41.59 1iut s ASP 151 CO -0.10 0.08 0.67 0.00 0.21 0.00 0.00 175.17 176.03 1iut n ASP 153 N -1.15 1.81 -4.08 0.00 8.00 0.07 -3.83 116.55 117.36 1iut n ASP 153 Ca -0.05 0.02 -0.08 0.00 0.71 0.00 0.00 54.79 55.39 1iut n ASP 153 Cb 0.60 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 1iut n ASP 153 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1iut s TYR 154 N -2.53 0.51 -0.08 1.24 2.02 -1.04 -4.68 117.35 112.79 1iut s TYR 154 Ca -0.27 -0.95 0.02 0.00 -0.37 0.00 0.00 57.07 55.49 1iut s TYR 154 Cb 0.08 -0.37 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1iut s TYR 154 CO 0.69 -0.32 -0.12 0.42 -1.57 0.00 0.00 175.55 174.64 1iut s ILE 155 N -3.42 1.22 -0.29 2.71 1.01 0.05 -1.39 121.20 121.09 1iut s ILE 155 Ca 0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 1iut s ILE 155 Cb 0.04 -1.13 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 1iut s ILE 155 CO -0.08 0.38 0.11 0.00 0.00 0.00 0.00 174.94 175.35 1iut s ALA 156 N 0.91 3.16 -0.68 9.38 0.00 0.05 -1.42 121.76 133.17 1iut s ALA 156 Ca -0.09 -1.38 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 1iut s ALA 156 Cb -0.15 -2.23 0.05 0.00 0.00 0.00 0.00 23.12 20.79 1iut s ALA 156 CO 0.01 -0.85 1.09 0.20 0.00 0.00 0.00 175.76 176.21 1iut s GLY 157 N 1.56 1.17 -0.30 0.00 0.00 0.55 -1.58 107.32 108.73 1iut s GLY 157 Ca 0.04 -1.60 0.07 0.00 0.00 0.00 0.00 44.72 43.23 1iut s GLY 157 CO 0.04 2.31 1.21 0.00 0.00 0.00 0.00 173.10 176.65 1iut n ASP 159 N -0.72 5.30 -0.69 0.00 5.75 -0.82 -4.33 116.55 121.03 1iut n ASP 159 Ca 0.44 -2.86 0.07 0.00 -0.01 0.00 0.00 54.79 52.43 1iut n ASP 159 Cb 0.96 -0.68 -0.02 0.00 -1.03 0.00 0.00 41.12 40.36 1iut n ASP 159 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iut n GLY 160 N 0.53 -1.90 0.35 6.12 0.00 -1.26 -2.60 105.19 106.43 1iut n GLY 160 Ca 0.26 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 45.05 1iut n GLY 160 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iut h PHE 161 N -0.50 0.71 -0.59 1.61 3.57 -1.84 -2.38 116.94 117.53 1iut h PHE 161 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1iut h PHE 161 Cb 0.49 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1iut h PHE 161 CO 0.00 0.38 0.00 0.72 -2.23 0.00 0.00 178.31 177.18 1iut n HIS 162 N -4.47 1.88 -1.33 0.41 8.25 -1.26 -4.95 115.22 113.75 1iut n HIS 162 Ca 0.09 -0.67 -0.29 0.00 -0.26 0.00 0.00 57.72 56.59 1iut n HIS 162 Cb 0.21 -0.43 0.15 0.00 1.12 0.00 0.00 29.99 31.04 1iut n HIS 162 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1iut s GLY 163 N -0.80 1.58 0.18 -1.41 0.00 -0.89 -4.98 107.32 100.99 1iut s GLY 163 Ca 0.53 -0.39 0.12 0.00 0.00 0.00 0.00 44.72 44.98 1iut s GLY 163 CO 0.18 0.18 1.29 1.19 0.00 0.00 0.00 173.10 175.94 1iut h ILE 164 N -1.67 1.19 -0.27 0.90 6.09 -1.89 -3.39 117.51 118.47 1iut h ILE 164 Ca -0.52 -2.73 0.02 0.00 -1.37 0.00 0.00 64.86 60.25 1iut h ILE 164 Cb 1.32 2.57 -0.02 0.00 0.47 0.00 0.00 36.82 41.16 1iut h ILE 164 CO 0.59 0.68 0.13 0.77 -3.07 0.00 0.00 178.15 177.25 1iut h SER 165 N 0.00 0.20 0.21 2.19 4.64 -1.94 -2.04 113.55 116.80 1iut h SER 165 Ca -0.03 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1iut h SER 165 Cb 1.60 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1iut h SER 165 CO 0.09 0.15 -0.26 -0.09 -0.87 0.00 0.00 176.83 175.85 1iut h ARG 166 N 0.28 0.10 0.00 4.77 2.43 -1.85 -2.04 114.38 118.07 1iut h ARG 166 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1iut h ARG 166 Cb 0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1iut h ARG 166 CO -0.08 0.36 0.00 1.96 -1.51 0.00 0.00 179.97 180.70 1iut h GLN 167 N 0.09 0.00 -0.00 0.20 1.08 -1.57 -3.02 115.11 111.89 1iut h GLN 167 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1iut h GLN 167 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1iut h GLN 167 CO 0.04 0.00 -0.17 0.43 -0.95 0.00 0.00 178.83 178.17 1iut n SER 168 N -2.47 0.55 -4.75 1.46 7.64 -0.77 -4.81 113.62 110.48 1iut n SER 168 Ca 0.02 -0.52 -0.37 0.00 1.01 0.00 0.00 58.87 59.01 1iut n SER 168 Cb 0.27 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.37 1iut n SER 168 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1iut s ILE 169 N -2.58 5.24 -0.13 0.44 1.01 -1.14 -5.00 121.20 119.03 1iut s ILE 169 Ca 0.25 0.70 -0.36 0.00 0.00 0.00 0.00 60.65 61.23 1iut s ILE 169 Cb 0.19 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.84 1iut s ILE 169 CO 0.51 0.40 1.79 -2.65 0.00 0.00 0.00 174.94 175.00 1iut n PRO 170 N 3.30 1.76 -0.13 2.79 -0.02 -1.26 -4.79 135.00 136.65 1iut n PRO 170 Ca -0.11 0.64 0.28 0.00 -2.02 0.00 0.00 63.50 62.29 1iut n PRO 170 Cb 0.52 -2.42 0.69 0.00 -0.02 0.00 0.00 33.50 32.27 1iut n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iut h ALA 171 N 8.08 2.68 0.00 3.55 0.00 -1.93 0.13 119.26 131.77 1iut h ALA 171 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1iut h ALA 171 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1iut h ALA 171 CO 0.94 -1.19 0.00 0.93 0.00 0.00 0.00 179.25 179.93 1iut h GLU 172 N 0.00 0.00 0.00 0.00 5.08 -2.03 -2.82 114.58 114.81 1iut h GLU 172 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1iut h GLU 172 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1iut h GLU 172 CO -0.00 0.00 -0.29 0.54 -1.00 0.00 0.00 179.01 178.25 1iut n ARG 173 N -2.59 0.13 -4.30 2.33 5.12 0.44 -4.90 116.66 112.89 1iut n ARG 173 Ca 0.03 0.07 -0.33 0.00 -1.93 0.00 0.00 57.85 55.69 1iut n ARG 173 Cb 0.34 -1.61 -0.09 0.00 -1.16 0.00 0.00 32.46 29.94 1iut n ARG 173 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1iut s LEU 174 N -3.63 3.49 -0.18 0.55 1.43 -1.06 -4.39 118.68 114.88 1iut s LEU 174 Ca 0.11 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1iut s LEU 174 Cb 0.16 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1iut s LEU 174 CO 0.64 0.28 -0.08 -0.54 0.23 0.00 0.00 176.35 176.88 1iut s LYS 175 N -1.53 3.39 -0.13 1.70 1.02 -0.11 -4.98 119.74 119.11 1iut s LYS 175 Ca 0.19 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.51 1iut s LYS 175 Cb -0.11 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1iut s LYS 175 CO 0.10 -0.03 -0.03 0.08 -0.92 0.00 0.00 175.35 174.54 1iut s VAL 176 N 1.02 3.98 -0.14 3.17 1.01 -1.26 -1.41 120.40 126.77 1iut s VAL 176 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1iut s VAL 176 Cb -0.15 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1iut s VAL 176 CO -0.01 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 1iut s PHE 177 N -0.08 2.23 -0.05 5.22 0.40 -0.22 -5.01 117.98 120.47 1iut s PHE 177 Ca 0.02 -1.19 -0.11 0.00 -0.60 0.00 0.00 56.93 55.05 1iut s PHE 177 Cb -0.13 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1iut s PHE 177 CO 0.02 -0.62 0.27 -2.00 0.70 0.00 0.00 175.22 173.60 1iut s GLU 178 N 1.23 0.49 -0.02 0.44 2.12 -1.26 -0.87 118.70 120.84 1iut s GLU 178 Ca 0.00 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1iut s GLU 178 Cb -0.14 0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.50 1iut s GLU 178 CO -0.07 -0.11 0.01 0.50 -0.54 0.00 0.00 175.26 175.05 1iut s ARG 179 N -0.67 0.10 -0.15 4.30 3.52 -0.26 -5.00 118.95 120.80 1iut s ARG 179 Ca -0.08 0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 55.59 1iut s ARG 179 Cb -0.04 -0.28 -0.02 0.00 -1.56 0.00 0.00 34.95 33.05 1iut s ARG 179 CO 0.02 -0.11 -0.06 0.08 -0.81 0.00 0.00 175.30 174.42 1iut s VAL 180 N 0.76 3.69 0.13 7.11 1.01 -1.26 -0.94 120.40 130.90 1iut s VAL 180 Ca -0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1iut s VAL 180 Cb -0.10 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1iut s VAL 180 CO -0.02 0.51 0.47 -0.31 0.00 0.00 0.00 175.10 175.74 1iut s TYR 181 N 0.31 3.56 -0.01 5.22 1.51 -1.01 -4.99 117.35 121.95 1iut s TYR 181 Ca -0.05 0.87 -0.00 0.00 -1.01 0.00 0.00 57.07 56.88 1iut s TYR 181 Cb -0.14 -2.23 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1iut s TYR 181 CO 0.04 0.45 1.94 -0.35 -1.11 0.00 0.00 175.55 176.52 1iut n PRO 182 N 0.67 1.02 -3.62 -1.71 -0.04 -1.26 -4.70 135.00 125.35 1iut n PRO 182 Ca -0.06 -0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 1iut n PRO 182 Cb 0.52 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 32.95 1iut n PRO 182 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1iut s PHE 183 N -0.04 -0.26 0.38 0.54 -0.12 -1.26 -4.33 117.98 112.88 1iut s PHE 183 Ca 0.01 0.03 0.05 0.00 -0.05 0.00 0.00 56.93 56.96 1iut s PHE 183 Cb 0.01 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1iut s PHE 183 CO -0.00 -0.74 0.17 0.41 -0.05 0.00 0.00 175.22 175.02 1iut n GLY 184 N -0.37 3.18 3.39 1.99 0.00 0.84 -2.92 105.19 111.30 1iut n GLY 184 Ca -0.08 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1iut n GLY 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iut s TRP 185 N -3.11 2.85 -0.35 1.61 0.52 0.31 -0.77 118.94 120.00 1iut s TRP 185 Ca 0.25 -0.60 -0.14 0.00 0.02 0.00 0.00 56.10 55.62 1iut s TRP 185 Cb 0.01 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1iut s TRP 185 CO 0.17 -0.19 0.32 -1.17 0.02 0.00 0.00 176.95 176.10 1iut s LEU 186 N 0.37 4.55 0.01 2.99 2.96 0.07 -0.85 118.68 128.78 1iut s LEU 186 Ca -0.10 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1iut s LEU 186 Cb -0.16 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1iut s LEU 186 CO 0.05 -0.32 0.05 -0.83 -1.32 0.00 0.00 176.35 173.98 1iut s GLY 187 N 1.73 1.97 -0.06 7.98 0.00 0.35 -1.34 107.32 117.95 1iut s GLY 187 Ca 0.09 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1iut s GLY 187 CO 0.11 -0.82 -0.02 -2.27 0.00 0.00 0.00 173.10 170.11 1iut s LEU 188 N -1.79 0.93 -0.18 0.66 0.20 0.14 -2.16 118.68 116.48 1iut s LEU 188 Ca 0.23 -0.10 -0.09 0.00 0.69 0.00 0.00 54.13 54.86 1iut s LEU 188 Cb -0.12 -0.43 -0.05 0.00 -0.43 0.00 0.00 46.19 45.17 1iut s LEU 188 CO 0.14 -0.13 0.10 -0.22 -0.29 0.00 0.00 176.35 175.95 1iut s LEU 189 N 1.48 4.07 0.02 -0.68 2.96 -0.37 -1.12 118.68 125.05 1iut s LEU 189 Ca -0.02 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1iut s LEU 189 Cb -0.13 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1iut s LEU 189 CO -0.03 0.20 -0.04 0.00 -1.32 0.00 0.00 176.35 175.17 1iut s ALA 190 N 0.20 0.23 -1.38 5.97 0.00 -0.44 -0.11 121.76 126.23 1iut s ALA 190 Ca 0.07 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 1iut s ALA 190 Cb -0.12 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.19 1iut s ALA 190 CO -0.01 -0.10 2.41 -3.47 0.00 0.00 0.00 175.76 174.59 1iut n ASP 191 N 1.75 7.50 -4.17 0.00 -0.08 -1.26 -0.86 116.55 119.43 1iut n ASP 191 Ca -0.22 -3.01 -0.16 0.00 -1.51 0.00 0.00 54.79 49.89 1iut n ASP 191 Cb 0.55 -1.43 -0.11 0.00 2.34 0.00 0.00 41.12 42.47 1iut n ASP 191 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1iut s THR 192 N -0.04 1.01 0.29 5.18 -4.23 -0.98 -4.84 115.64 112.04 1iut s THR 192 Ca 0.54 -1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1iut s THR 192 Cb 0.17 -1.17 -0.10 0.00 1.34 0.00 0.00 72.50 72.73 1iut s THR 192 CO -0.07 -0.39 1.35 -2.84 -0.54 0.00 0.00 174.62 172.13 1iut s PRO 193 N -2.21 4.33 0.67 3.99 0.02 -1.26 -2.44 135.00 138.10 1iut s PRO 193 Ca 0.01 2.23 -0.17 0.00 0.02 0.00 0.00 61.00 63.10 1iut s PRO 193 Cb -0.07 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.37 1iut s PRO 193 CO 0.01 -0.27 1.21 -1.25 -0.33 0.00 0.00 177.00 176.37 1iut s PRO 194 N -1.20 2.49 0.32 5.54 0.04 -1.26 -4.62 135.00 136.30 1iut s PRO 194 Ca 0.53 1.79 0.26 0.00 0.04 0.00 0.00 61.00 63.62 1iut s PRO 194 Cb -0.40 -1.87 1.04 0.00 0.04 0.00 0.00 34.50 33.30 1iut s PRO 194 CO 0.49 -1.58 1.77 -0.24 0.04 0.00 0.00 177.00 177.48 1iut h VAL 195 N 0.19 0.00 -3.56 -0.36 3.04 -1.90 -3.45 116.25 110.21 1iut h VAL 195 Ca -0.49 -0.32 -0.07 0.00 -1.01 0.00 0.00 66.70 64.81 1iut h VAL 195 Cb 1.30 1.14 -0.13 0.00 -2.01 0.00 0.00 31.29 31.58 1iut h VAL 195 CO 0.52 0.00 -0.20 -0.55 -1.01 0.00 0.00 177.57 176.33 1iut s SER 196 N -4.60 -0.09 0.00 3.17 0.15 -1.26 -4.97 113.70 106.11 1iut s SER 196 Ca 0.04 -0.45 0.29 0.00 0.70 0.00 0.00 55.95 56.53 1iut s SER 196 Cb 0.09 0.42 1.23 0.00 -1.71 0.00 0.00 66.02 66.05 1iut s SER 196 CO 0.45 -0.80 1.88 0.00 1.20 0.00 0.00 173.24 175.97 1iut n HIS 197 N -0.14 0.00 -4.20 3.44 1.44 -1.26 -4.81 115.22 109.69 1iut n HIS 197 Ca -0.16 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.43 1iut n HIS 197 Cb 0.63 -0.29 -0.10 0.00 0.12 0.00 0.00 29.99 30.35 1iut n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1iut s GLU 198 N -2.68 0.92 0.54 -1.40 2.02 -1.26 -5.00 118.70 111.85 1iut s GLU 198 Ca 0.23 -1.37 -0.19 0.00 0.02 0.00 0.00 54.97 53.66 1iut s GLU 198 Cb 0.20 -0.37 -0.06 0.00 0.10 0.00 0.00 34.13 34.00 1iut s GLU 198 CO 0.51 0.02 1.10 -0.51 0.02 0.00 0.00 175.26 176.40 1iut s LEU 199 N -3.07 3.72 -0.17 1.80 1.02 -1.26 -4.87 118.68 115.84 1iut s LEU 199 Ca 0.13 2.09 -0.00 0.00 0.02 0.00 0.00 54.13 56.37 1iut s LEU 199 Cb 0.04 -4.57 0.04 0.00 0.02 0.00 0.00 46.19 41.72 1iut s LEU 199 CO -0.03 -1.16 -0.06 -0.63 0.02 0.00 0.00 176.35 174.49 1iut s ILE 200 N -1.90 1.18 -0.20 -0.59 1.01 -0.98 -0.81 121.20 118.91 1iut s ILE 200 Ca 0.71 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 1iut s ILE 200 Cb -0.22 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1iut s ILE 200 CO 0.27 0.13 0.20 -0.31 0.00 0.00 0.00 174.94 175.23 1iut s TYR 201 N 1.60 3.39 -0.10 3.97 1.51 0.15 -1.33 117.35 126.54 1iut s TYR 201 Ca 0.00 0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.48 1iut s TYR 201 Cb -0.15 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1iut s TYR 201 CO -0.08 0.19 -0.17 0.00 -1.11 0.00 0.00 175.55 174.38 1iut s ALA 202 N 0.65 1.77 -0.33 3.71 0.00 0.58 -0.23 121.76 127.93 1iut s ALA 202 Ca 0.11 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1iut s ALA 202 Cb -0.12 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1iut s ALA 202 CO 0.02 0.01 0.23 1.21 0.00 0.00 0.00 175.76 177.23 1iut s ASN 203 N 0.82 6.05 0.07 0.00 3.84 0.39 -2.03 114.94 124.08 1iut s ASN 203 Ca -0.10 -0.32 0.04 0.00 0.21 0.00 0.00 52.86 52.70 1iut s ASN 203 Cb -0.16 -2.13 -0.03 0.00 -0.55 0.00 0.00 41.25 38.38 1iut s ASN 203 CO 0.01 -0.19 -0.12 -2.28 -2.79 0.00 0.00 177.10 171.72 1iut s HIS 204 N 1.73 1.12 0.50 0.43 5.65 -1.21 -4.20 115.29 119.30 1iut s HIS 204 Ca 0.06 -0.50 0.25 0.00 0.25 0.00 0.00 55.06 55.12 1iut s HIS 204 Cb -0.17 -0.63 1.33 0.00 -1.18 0.00 0.00 32.58 31.93 1iut s HIS 204 CO 0.11 0.03 1.91 -1.35 -0.65 0.00 0.00 174.74 174.79 1iut h PRO 205 N 4.15 0.13 0.00 2.88 0.11 -1.97 0.15 132.00 137.45 1iut h PRO 205 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1iut h PRO 205 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1iut h PRO 205 CO 0.43 0.09 0.00 0.54 -0.21 0.00 0.00 178.00 178.85 1iut n ARG 206 N -4.37 0.21 0.00 1.05 1.74 -1.26 -4.98 116.66 109.04 1iut n ARG 206 Ca 0.16 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 1iut n ARG 206 Cb 0.78 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1iut n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iut n GLY 207 N 1.07 2.67 3.77 -0.13 0.00 0.04 -5.00 105.19 107.62 1iut n GLY 207 Ca 0.05 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1iut n GLY 207 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iut s PHE 208 N -1.82 2.85 -0.01 1.61 5.36 -1.26 -3.34 117.98 121.38 1iut s PHE 208 Ca 0.00 1.55 -0.04 0.00 -0.96 0.00 0.00 56.93 57.47 1iut s PHE 208 Cb 0.00 -3.33 -0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1iut s PHE 208 CO 0.00 -1.45 0.08 0.00 -1.46 0.00 0.00 175.22 172.40 1iut s ALA 209 N -1.62 -0.19 -0.03 11.12 0.00 -0.86 -0.08 121.76 130.10 1iut s ALA 209 Ca 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.50 1iut s ALA 209 Cb -0.27 0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1iut s ALA 209 CO 0.32 -0.14 0.04 -1.17 0.00 0.00 0.00 175.76 174.81 1iut s LEU 210 N -0.92 0.93 -0.34 0.00 2.96 -0.35 -0.30 118.68 120.64 1iut s LEU 210 Ca -0.10 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 1iut s LEU 210 Cb -0.06 -0.05 0.03 0.00 0.50 0.00 0.00 46.19 46.61 1iut s LEU 210 CO 0.00 -0.15 0.14 0.00 -1.32 0.00 0.00 176.35 175.03 1iut n SER 212 N 4.89 1.63 -3.76 0.00 2.88 0.98 -2.33 113.62 117.92 1iut n SER 212 Ca -0.13 -0.81 -0.08 0.00 -1.33 0.00 0.00 58.87 56.52 1iut n SER 212 Cb 0.46 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 1iut n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iut s GLN 213 N -1.43 1.63 0.00 -1.46 -2.07 -1.26 -2.36 119.66 112.71 1iut s GLN 213 Ca 0.00 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 52.67 1iut s GLN 213 Cb 0.00 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 1iut s GLN 213 CO 0.00 -0.73 0.00 0.54 -1.32 0.00 0.00 175.29 173.78 1iut n ARG 214 N -0.43 3.41 -1.56 9.60 5.12 0.50 -4.74 116.66 128.56 1iut n ARG 214 Ca -0.07 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.84 1iut n ARG 214 Cb 0.61 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 1iut n ARG 214 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1iut n SER 215 N -1.83 -0.29 0.12 0.55 3.41 -1.08 -4.70 113.62 109.79 1iut n SER 215 Ca 0.00 -1.18 0.12 0.00 -0.26 0.00 0.00 58.87 57.55 1iut n SER 215 Cb 0.44 0.48 0.47 0.00 -0.26 0.00 0.00 64.21 65.34 1iut n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iut n ALA 216 N -2.67 1.76 -0.81 7.33 0.00 -1.26 -3.03 120.51 121.83 1iut n ALA 216 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1iut n ALA 216 Cb 0.08 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.19 1iut n ALA 216 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iut n THR 217 N -2.20 1.03 -3.81 0.00 -2.24 -1.26 -4.31 114.28 101.49 1iut n THR 217 Ca 0.03 -1.17 -0.17 0.00 -2.27 0.00 0.00 64.05 60.47 1iut n THR 217 Cb 0.26 0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.63 1iut n THR 217 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1iut s ARG 218 N -1.38 0.13 0.24 -0.78 3.52 -1.10 -2.31 118.95 117.27 1iut s ARG 218 Ca 0.11 0.18 0.10 0.00 -0.13 0.00 0.00 55.73 56.00 1iut s ARG 218 Cb 0.10 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.99 1iut s ARG 218 CO 0.01 -0.20 -0.10 -1.12 -0.81 0.00 0.00 175.30 173.07 1iut s SER 219 N 1.37 4.10 -0.05 -2.12 0.01 -0.04 -0.37 113.70 116.60 1iut s SER 219 Ca -0.05 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 1iut s SER 219 Cb -0.13 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.52 1iut s SER 219 CO -0.03 0.05 0.02 -0.60 0.41 0.00 0.00 173.24 173.10 1iut s ARG 220 N -3.28 0.31 0.14 12.44 6.06 -1.00 -1.32 118.95 132.29 1iut s ARG 220 Ca 0.28 0.20 0.10 0.00 -2.50 0.00 0.00 55.73 53.81 1iut s ARG 220 Cb -0.07 -0.72 -0.04 0.00 0.06 0.00 0.00 34.95 34.18 1iut s ARG 220 CO 0.16 -0.28 -0.24 0.71 -2.50 0.00 0.00 175.30 173.15 1iut s TYR 221 N 1.88 2.09 0.02 5.12 2.02 -0.27 -0.01 117.35 128.19 1iut s TYR 221 Ca 0.02 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1iut s TYR 221 Cb -0.12 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 1iut s TYR 221 CO -0.04 0.32 -0.04 0.71 -1.57 0.00 0.00 175.55 174.94 1iut s TYR 222 N -1.30 0.33 0.00 2.71 2.02 -0.48 -0.68 117.35 119.94 1iut s TYR 222 Ca 0.13 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1iut s TYR 222 Cb -0.09 -0.21 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1iut s TYR 222 CO 0.06 -0.11 -0.05 0.14 -1.57 0.00 0.00 175.55 174.02 1iut s VAL 223 N -1.04 0.40 0.38 0.71 -7.23 -0.45 -1.21 120.40 111.96 1iut s VAL 223 Ca -0.10 -0.36 -0.26 0.00 -1.81 0.00 0.00 61.98 59.45 1iut s VAL 223 Cb -0.07 -0.36 -0.09 0.00 0.56 0.00 0.00 36.38 36.41 1iut s VAL 223 CO -0.00 0.02 1.24 -1.58 -0.31 0.00 0.00 175.10 174.46 1iut s GLN 224 N -0.37 4.11 -0.03 4.82 0.74 0.88 -0.76 119.66 129.06 1iut s GLN 224 Ca -0.00 2.03 -0.12 0.00 0.05 0.00 0.00 55.36 57.31 1iut s GLN 224 Cb -0.03 -2.81 0.02 0.00 1.10 0.00 0.00 33.01 31.29 1iut s GLN 224 CO -0.00 -0.33 0.26 0.54 -0.55 0.00 0.00 175.29 175.21 1iut s VAL 225 N -1.29 0.05 0.77 1.34 0.11 0.05 -4.76 120.40 116.68 1iut s VAL 225 Ca 0.55 -0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 59.02 1iut s VAL 225 Cb -0.35 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 34.03 1iut s VAL 225 CO 0.45 -0.24 1.17 -2.84 -3.33 0.00 0.00 175.10 170.31 1iut s PRO 226 N -1.08 1.97 0.56 1.54 0.02 -1.26 -0.11 135.00 136.64 1iut s PRO 226 Ca -0.11 1.60 0.34 0.00 0.02 0.00 0.00 61.00 62.85 1iut s PRO 226 Cb -0.05 -1.83 1.60 0.00 0.02 0.00 0.00 34.50 34.23 1iut s PRO 226 CO 0.03 -1.93 2.08 -0.07 -0.33 0.00 0.00 177.00 176.78 1iut h LEU 227 N -0.72 0.00 0.00 -5.54 4.07 -1.89 -2.55 115.31 108.68 1iut h LEU 227 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1iut h LEU 227 Cb 1.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1iut h LEU 227 CO 0.48 0.05 0.00 -1.54 -1.08 0.00 0.00 178.44 176.35 1iut n SER 228 N -3.22 0.00 -4.78 -0.43 3.41 -1.26 -4.86 113.62 102.48 1iut n SER 228 Ca -0.01 0.34 -0.37 0.00 -0.26 0.00 0.00 58.87 58.58 1iut n SER 228 Cb 0.25 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 1iut n SER 228 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1iut s GLU 229 N -2.87 4.05 -0.06 4.33 0.41 -0.96 -5.05 118.70 118.55 1iut s GLU 229 Ca 0.13 1.62 0.05 0.00 -0.41 0.00 0.00 54.97 56.37 1iut s GLU 229 Cb 0.14 -2.53 -0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1iut s GLU 229 CO 0.37 -0.26 -0.22 0.15 -0.49 0.00 0.00 175.26 174.81 1iut s LYS 230 N -2.51 2.55 0.36 1.61 1.02 -1.26 -5.03 119.74 116.48 1iut s LYS 230 Ca 0.59 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.79 1iut s LYS 230 Cb -0.25 -2.22 0.77 0.00 -0.52 0.00 0.00 37.83 35.62 1iut s LYS 230 CO 0.31 0.43 1.94 -0.24 -0.92 0.00 0.00 175.35 176.87 1iut h VAL 231 N 4.89 0.98 0.00 3.17 3.04 -1.96 -1.40 116.25 124.98 1iut h VAL 231 Ca -0.35 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1iut h VAL 231 Cb 1.17 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1iut h VAL 231 CO 0.48 0.13 0.00 1.05 -1.01 0.00 0.00 177.57 178.22 1iut h GLU 232 N 0.72 0.00 -0.01 4.17 9.09 -1.99 0.11 114.58 126.67 1iut h GLU 232 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1iut h GLU 232 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1iut h GLU 232 CO -0.12 0.00 -0.12 -0.25 0.05 0.00 0.00 179.01 178.57 1iut n ASP 233 N -2.38 0.73 -4.04 3.06 8.00 -0.53 -4.64 116.55 116.75 1iut n ASP 233 Ca -0.01 -0.83 -0.34 0.00 0.71 0.00 0.00 54.79 54.32 1iut n ASP 233 Cb 0.08 -0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.05 1iut n ASP 233 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1iut s TRP 234 N -2.37 3.42 0.82 1.24 0.52 0.37 -5.05 118.94 117.90 1iut s TRP 234 Ca 0.31 -2.85 -0.11 0.00 0.02 0.00 0.00 56.10 53.46 1iut s TRP 234 Cb 0.20 -3.05 0.09 0.00 -1.15 0.00 0.00 33.47 29.56 1iut s TRP 234 CO 0.45 -0.85 1.09 -1.54 0.02 0.00 0.00 176.95 176.13 1iut s SER 235 N 0.61 4.08 0.22 2.95 1.04 -1.26 -4.83 113.70 116.49 1iut s SER 235 Ca 0.15 1.67 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 1iut s SER 235 Cb -0.22 -2.36 0.27 0.00 0.10 0.00 0.00 66.02 63.80 1iut s SER 235 CO -0.03 -2.28 1.81 0.44 0.98 0.00 0.00 173.24 174.16 1iut h ASP 236 N -1.30 0.59 -0.30 7.02 3.32 -1.97 -1.71 116.42 122.06 1iut h ASP 236 Ca -0.46 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1iut h ASP 236 Cb 1.25 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1iut h ASP 236 CO 0.53 0.37 -0.00 1.05 -1.72 0.00 0.00 179.24 179.47 1iut h GLU 237 N 0.72 0.63 -0.56 3.56 4.11 -1.96 -1.36 114.58 119.73 1iut h GLU 237 Ca 0.32 -0.15 -0.06 0.00 0.07 0.00 0.00 59.36 59.53 1iut h GLU 237 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1iut h GLU 237 CO -0.19 0.66 0.09 -0.09 0.07 0.00 0.00 179.01 179.55 1iut h ARG 238 N 0.60 0.92 -0.00 1.06 2.43 -1.75 -2.17 114.38 115.47 1iut h ARG 238 Ca 0.12 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1iut h ARG 238 Cb 0.38 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1iut h ARG 238 CO 0.01 0.88 0.00 0.35 -1.51 0.00 0.00 179.97 179.71 1iut h PHE 239 N 0.82 0.00 -0.92 2.20 3.04 -0.68 -1.36 116.94 120.04 1iut h PHE 239 Ca 0.17 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1iut h PHE 239 Cb 0.41 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.87 1iut h PHE 239 CO 0.03 0.06 0.57 -1.49 -2.02 0.00 0.00 178.31 175.46 1iut h TRP 240 N -0.06 1.19 -0.63 0.41 -0.00 -1.16 0.16 115.95 115.86 1iut h TRP 240 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.83 1iut h TRP 240 Cb 0.06 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 28.80 1iut h TRP 240 CO -0.06 0.78 0.13 1.15 -0.00 0.00 0.00 178.44 180.45 1iut h THR 241 N 1.26 1.26 -0.14 1.49 2.02 -1.30 -0.64 112.91 116.85 1iut h THR 241 Ca 0.33 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 1iut h THR 241 Cb -0.08 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1iut h THR 241 CO -0.06 0.36 -0.09 -0.08 0.37 0.00 0.00 175.52 176.01 1iut h GLU 242 N 0.93 0.30 -0.41 6.66 4.57 -0.75 -2.04 114.58 123.84 1iut h GLU 242 Ca 0.19 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1iut h GLU 242 Cb 0.38 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1iut h GLU 242 CO 0.01 0.65 0.20 1.25 -1.18 0.00 0.00 179.01 179.94 1iut h LEU 243 N -0.06 0.30 -1.34 1.64 6.46 -0.59 -1.92 115.31 119.81 1iut h LEU 243 Ca 0.03 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1iut h LEU 243 Cb 0.58 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1iut h LEU 243 CO 0.02 0.21 0.27 0.11 -0.62 0.00 0.00 178.44 178.44 1iut h LYS 244 N 0.41 0.72 0.00 1.25 1.57 -1.09 -1.36 116.57 118.07 1iut h LYS 244 Ca 0.18 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1iut h LYS 244 Cb 0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1iut h LYS 244 CO -0.12 0.55 -0.13 0.00 -0.57 0.00 0.00 179.45 179.17 1iut h ALA 245 N 1.57 1.08 -0.01 3.86 0.00 -0.59 -3.08 119.26 122.09 1iut h ALA 245 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1iut h ALA 245 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1iut h ALA 245 CO -0.03 0.16 -0.54 0.54 0.00 0.00 0.00 179.25 179.39 1iut n ARG 246 N -3.36 0.57 -4.03 0.00 1.74 -0.53 -4.96 116.66 106.08 1iut n ARG 246 Ca -0.00 -0.41 -0.21 0.00 -0.77 0.00 0.00 57.85 56.45 1iut n ARG 246 Cb 0.33 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1iut n ARG 246 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1iut s LEU 247 N -2.72 4.05 0.39 0.55 1.43 -1.09 -4.70 118.68 116.59 1iut s LEU 247 Ca 0.16 -0.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 1iut s LEU 247 Cb 0.18 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.70 1iut s LEU 247 CO 0.65 -0.07 1.48 -2.84 0.23 0.00 0.00 176.35 175.80 1iut s PRO 248 N -3.92 4.05 0.28 1.29 0.02 -1.26 -4.74 135.00 130.72 1iut s PRO 248 Ca 0.34 2.55 0.02 0.00 0.02 0.00 0.00 61.00 63.93 1iut s PRO 248 Cb -0.08 -2.92 0.65 0.00 0.02 0.00 0.00 34.50 32.17 1iut s PRO 248 CO 0.27 -0.57 1.73 0.66 -0.33 0.00 0.00 177.00 178.76 1iut h SER 249 N 2.90 0.45 0.61 2.53 4.64 -1.97 0.04 113.55 122.75 1iut h SER 249 Ca -0.51 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1iut h SER 249 Cb 1.24 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1iut h SER 249 CO 0.64 0.11 0.00 1.05 -0.87 0.00 0.00 176.83 177.76 1iut h GLU 250 N 0.52 0.00 0.07 4.77 9.09 -2.00 -1.42 114.58 125.61 1iut h GLU 250 Ca 0.52 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.64 1iut h GLU 250 Cb 0.89 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.97 1iut h GLU 250 CO -0.45 0.00 -1.56 0.28 0.05 0.00 0.00 179.01 177.33 1iut h VAL 251 N 0.00 0.83 -0.22 -1.06 2.07 -1.39 -3.37 116.25 113.10 1iut h VAL 251 Ca 0.00 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.24 1iut h VAL 251 Cb 0.30 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1iut h VAL 251 CO 0.00 0.61 0.12 0.00 0.02 0.00 0.00 177.57 178.32 1iut h ALA 252 N -0.20 1.80 -0.44 1.67 0.00 -1.06 -2.85 119.26 118.19 1iut h ALA 252 Ca -0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1iut h ALA 252 Cb 1.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1iut h ALA 252 CO -0.05 0.17 0.15 1.49 0.00 0.00 0.00 179.25 181.01 1iut h GLU 253 N 0.30 0.64 -0.43 0.00 4.81 -1.43 -3.04 114.58 115.43 1iut h GLU 253 Ca 0.08 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1iut h GLU 253 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1iut h GLU 253 CO -0.01 0.55 0.00 0.36 -0.73 0.00 0.00 179.01 179.18 1iut n LYS 254 N -4.34 3.44 -2.54 1.92 2.85 -1.08 -4.97 118.16 113.43 1iut n LYS 254 Ca 0.03 -2.75 -0.43 0.00 -1.05 0.00 0.00 58.31 54.11 1iut n LYS 254 Cb 0.17 -1.81 -0.02 0.00 -0.65 0.00 0.00 35.03 32.71 1iut n LYS 254 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1iut s LEU 255 N -2.20 4.24 -0.25 -5.58 0.20 -1.15 -4.89 118.68 109.05 1iut s LEU 255 Ca 0.43 1.67 -0.15 0.00 0.69 0.00 0.00 54.13 56.77 1iut s LEU 255 Cb 0.31 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.48 1iut s LEU 255 CO 0.16 -0.57 0.39 -0.69 -0.29 0.00 0.00 176.35 175.34 1iut s VAL 256 N 2.40 5.17 0.45 1.68 1.01 -1.26 -5.07 120.40 124.78 1iut s VAL 256 Ca 0.52 0.62 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1iut s VAL 256 Cb -0.21 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1iut s VAL 256 CO 0.18 0.18 0.60 0.42 0.00 0.00 0.00 175.10 176.48 1iut s THR 257 N 1.90 2.80 0.00 3.92 -4.23 -1.26 -4.79 115.64 113.98 1iut s THR 257 Ca 0.16 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1iut s THR 257 Cb -0.15 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1iut s THR 257 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1iut n GLY 258 N -1.91 0.25 3.77 3.99 0.00 -1.26 -4.98 105.19 105.04 1iut n GLY 258 Ca 0.09 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 1iut n GLY 258 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iut s PRO 259 N -2.00 3.74 0.29 1.61 0.04 -1.26 -4.96 135.00 132.47 1iut s PRO 259 Ca 0.00 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 1iut s PRO 259 Cb 0.00 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 1iut s PRO 259 CO 0.00 -0.72 1.06 -1.54 0.04 0.00 0.00 177.00 175.84 1iut s SER 260 N -0.68 7.28 -0.02 6.66 1.04 -1.26 -4.38 113.70 122.34 1iut s SER 260 Ca 0.61 2.17 0.16 0.00 0.48 0.00 0.00 55.95 59.36 1iut s SER 260 Cb -0.40 -2.62 -0.20 0.00 0.10 0.00 0.00 66.02 62.90 1iut s SER 260 CO 0.52 -0.12 0.63 0.18 0.98 0.00 0.00 173.24 175.42 1iut n LEU 261 N 1.08 0.69 -3.62 2.42 4.77 0.84 -4.95 117.00 118.22 1iut n LEU 261 Ca -0.00 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.14 1iut n LEU 261 Cb 0.46 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1iut n LEU 261 CO 0.52 0.28 0.33 -0.70 -1.33 0.00 0.00 177.39 176.49 1iut s GLU 262 N -2.77 0.84 -0.12 3.23 -6.30 -1.22 -4.99 118.70 107.38 1iut s GLU 262 Ca -0.05 0.54 -0.06 0.00 -2.50 0.00 0.00 54.97 52.90 1iut s GLU 262 Cb 0.08 0.40 0.05 0.00 0.00 0.00 0.00 34.13 34.66 1iut s GLU 262 CO 0.82 -0.18 0.27 0.21 0.02 0.00 0.00 175.26 176.40 1iut s LYS 263 N -0.39 0.23 0.17 4.30 2.20 -1.26 -1.24 119.74 123.75 1iut s LYS 263 Ca -0.05 0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 55.90 1iut s LYS 263 Cb -0.03 -0.11 0.06 0.00 -1.51 0.00 0.00 37.83 36.25 1iut s LYS 263 CO 0.04 -0.16 0.63 -1.54 -0.36 0.00 0.00 175.35 173.96 1iut s SER 264 N 1.30 -0.52 -0.14 1.43 1.04 -0.92 -5.01 113.70 110.89 1iut s SER 264 Ca -0.09 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.27 1iut s SER 264 Cb -0.10 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1iut s SER 264 CO -0.09 -1.00 -0.16 -0.63 0.98 0.00 0.00 173.24 172.33 1iut s ILE 265 N -3.74 2.67 -0.16 -1.02 1.01 -1.26 -0.50 121.20 118.20 1iut s ILE 265 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1iut s ILE 265 Cb -0.02 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1iut s ILE 265 CO -0.10 0.53 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 1iut s ALA 266 N 0.60 2.49 0.49 9.38 0.00 -0.03 -4.94 121.76 129.75 1iut s ALA 266 Ca -0.09 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 1iut s ALA 266 Cb -0.16 -1.25 -0.08 0.00 0.00 0.00 0.00 23.12 21.63 1iut s ALA 266 CO 0.03 -0.12 1.05 -1.25 0.00 0.00 0.00 175.76 175.47 1iut s PRO 267 N 0.96 3.74 -0.11 0.00 0.04 -1.26 -0.53 135.00 137.84 1iut s PRO 267 Ca -0.03 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 1iut s PRO 267 Cb -0.15 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1iut s PRO 267 CO -0.03 -0.49 0.30 -0.51 0.04 0.00 0.00 177.00 176.31 1iut s LEU 268 N -3.54 4.33 0.03 -3.56 1.02 -1.15 -4.88 118.68 110.93 1iut s LEU 268 Ca 0.68 0.63 -0.20 0.00 0.02 0.00 0.00 54.13 55.25 1iut s LEU 268 Cb -0.17 -2.38 0.04 0.00 0.02 0.00 0.00 46.19 43.70 1iut s LEU 268 CO 0.21 0.21 0.46 -0.60 0.02 0.00 0.00 176.35 176.65 1iut s ARG 269 N -0.19 0.94 -0.06 1.70 3.52 -1.26 -2.40 118.95 121.19 1iut s ARG 269 Ca 0.18 -0.24 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 1iut s ARG 269 Cb -0.14 0.42 -0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1iut s ARG 269 CO 0.06 -0.32 -0.21 -1.12 -0.81 0.00 0.00 175.30 172.91 1iut s SER 270 N -1.84 2.64 -0.22 -2.12 0.01 -0.11 -1.80 113.70 110.27 1iut s SER 270 Ca -0.07 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 1iut s SER 270 Cb -0.01 -0.90 0.07 0.00 0.21 0.00 0.00 66.02 65.38 1iut s SER 270 CO -0.00 0.17 0.53 0.12 0.41 0.00 0.00 173.24 174.47 1iut s PHE 271 N 0.12 -0.79 -0.01 2.43 2.19 -0.03 -1.10 117.98 120.79 1iut s PHE 271 Ca -0.09 1.64 -0.01 0.00 0.33 0.00 0.00 56.93 58.80 1iut s PHE 271 Cb -0.14 0.41 0.00 0.00 -1.31 0.00 0.00 43.02 41.98 1iut s PHE 271 CO 0.05 -0.41 0.03 0.08 1.83 0.00 0.00 175.22 176.80 1iut s VAL 272 N 1.41 -0.00 -0.02 3.12 1.01 -0.04 -0.26 120.40 125.61 1iut s VAL 272 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1iut s VAL 272 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 1iut s VAL 272 CO -0.15 0.00 -0.24 0.54 0.00 0.00 0.00 175.10 175.25 1iut s VAL 273 N 0.02 1.90 -0.06 2.92 0.11 -0.99 -1.06 120.40 123.24 1iut s VAL 273 Ca -0.00 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 1iut s VAL 273 Cb -0.00 -1.58 0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1iut s VAL 273 CO 0.00 0.54 -0.05 -1.61 -3.33 0.00 0.00 175.10 170.65 1iut s GLU 274 N -0.55 0.98 0.33 1.54 2.02 -0.50 -4.40 118.70 118.12 1iut s GLU 274 Ca 0.09 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 1iut s GLU 274 Cb -0.09 -1.02 0.08 0.00 0.10 0.00 0.00 34.13 33.20 1iut s GLU 274 CO -0.01 -0.12 0.44 -0.35 0.02 0.00 0.00 175.26 175.24 1iut n PRO 275 N 4.30 -0.49 -0.50 0.39 -0.04 -1.26 -0.93 135.00 136.47 1iut n PRO 275 Ca -0.20 -0.69 0.07 0.00 -0.04 0.00 0.00 63.50 62.64 1iut n PRO 275 Cb 0.51 -0.46 0.25 0.00 -0.04 0.00 0.00 33.50 33.75 1iut n PRO 275 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1iut n MET 276 N -1.98 2.75 -3.84 0.54 2.81 -1.26 -4.91 117.12 111.22 1iut n MET 276 Ca 0.06 -2.89 -0.09 0.00 -1.81 0.00 0.00 57.70 52.97 1iut n MET 276 Cb 0.19 -1.84 -0.04 0.00 -0.71 0.00 0.00 33.22 30.82 1iut n MET 276 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1iut s GLN 277 N -2.90 1.42 -0.30 0.03 -2.07 -1.26 -0.26 119.66 114.33 1iut s GLN 277 Ca 0.43 -1.01 -0.04 0.00 -1.82 0.00 0.00 55.36 52.92 1iut s GLN 277 Cb 0.35 0.50 0.18 0.00 -1.09 0.00 0.00 33.01 32.95 1iut s GLN 277 CO 0.08 -0.60 0.66 -1.58 -1.32 0.00 0.00 175.29 172.53 1iut s HIS 278 N -3.92 -1.44 0.00 9.60 2.46 0.11 -5.00 115.29 117.08 1iut s HIS 278 Ca 0.14 1.73 0.00 0.00 0.47 0.00 0.00 55.06 57.39 1iut s HIS 278 Cb -0.01 0.58 0.00 0.00 -0.13 0.00 0.00 32.58 33.02 1iut s HIS 278 CO 0.01 -0.77 0.00 0.41 -2.47 0.00 0.00 174.74 171.92 1iut n GLY 279 N 5.42 4.21 1.49 1.59 0.00 -1.26 -1.33 105.19 115.31 1iut n GLY 279 Ca -0.04 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1iut n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iut n ARG 280 N 14.00 3.58 -4.31 1.61 1.74 0.05 -4.86 116.66 128.47 1iut n ARG 280 Ca 0.00 -2.56 -0.34 0.00 -0.77 0.00 0.00 57.85 54.18 1iut n ARG 280 Cb 0.00 -1.88 -0.12 0.00 -1.02 0.00 0.00 32.46 29.44 1iut n ARG 280 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1iut s LEU 281 N -1.79 3.28 -0.11 0.55 2.96 -0.44 -0.77 118.68 122.37 1iut s LEU 281 Ca 0.46 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1iut s LEU 281 Cb 0.30 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1iut s LEU 281 CO 0.20 0.15 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.85 1iut s PHE 282 N 0.49 2.09 0.13 5.38 0.40 -0.50 -0.72 117.98 125.26 1iut s PHE 282 Ca -0.02 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.18 1iut s PHE 282 Cb -0.14 -1.47 -0.07 0.00 0.51 0.00 0.00 43.02 41.84 1iut s PHE 282 CO 0.02 -0.46 0.59 -0.51 0.70 0.00 0.00 175.22 175.57 1iut s LEU 283 N 0.81 4.41 -0.01 -0.37 1.43 0.64 -0.33 118.68 125.27 1iut s LEU 283 Ca -0.10 1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1iut s LEU 283 Cb -0.16 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.87 1iut s LEU 283 CO 0.01 0.15 0.06 0.00 0.23 0.00 0.00 176.35 176.80 1iut s ALA 284 N -1.34 -0.13 0.00 4.21 0.00 -0.51 -4.86 121.76 119.13 1iut s ALA 284 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1iut s ALA 284 Cb -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1iut s ALA 284 CO 0.20 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1iut n GLY 285 N 2.35 0.79 0.20 0.00 0.00 -1.26 -3.34 105.19 103.93 1iut n GLY 285 Ca -0.17 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.18 1iut n GLY 285 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iut h ASP 286 N 8.86 0.00 0.59 1.61 5.19 -1.89 0.13 116.42 130.91 1iut h ASP 286 Ca 0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1iut h ASP 286 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1iut h ASP 286 CO 0.00 0.00 -0.37 0.00 -3.12 0.00 0.00 179.24 175.75 1iut h ALA 287 N 1.84 1.16 0.00 3.45 0.00 -1.62 -2.92 119.26 121.18 1iut h ALA 287 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1iut h ALA 287 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1iut h ALA 287 CO 0.00 0.46 -1.68 0.00 0.00 0.00 0.00 179.25 178.03 1iut n ALA 288 N -2.36 2.43 -3.57 0.00 0.00 -0.00 -4.74 120.51 112.27 1iut n ALA 288 Ca -0.01 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 1iut n ALA 288 Cb 0.45 -0.44 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 1iut n ALA 288 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1iut s HIS 289 N -2.92 -0.56 -0.03 0.00 0.00 -0.98 -2.36 115.29 108.46 1iut s HIS 289 Ca -0.05 1.07 0.05 0.00 -3.00 0.00 0.00 55.06 53.13 1iut s HIS 289 Cb 0.09 0.40 -0.01 0.00 -4.00 0.00 0.00 32.58 29.06 1iut s HIS 289 CO 0.59 -0.44 -0.17 0.42 -1.00 0.00 0.00 174.74 174.13 1iut s ILE 290 N -0.79 1.37 0.05 -5.38 -1.09 0.64 -3.95 121.20 112.06 1iut s ILE 290 Ca -0.05 -0.71 0.07 0.00 -2.23 0.00 0.00 60.65 57.73 1iut s ILE 290 Cb -0.01 -1.16 -0.03 0.00 -1.58 0.00 0.00 42.46 39.68 1iut s ILE 290 CO 0.04 0.39 -0.19 0.68 -1.23 0.00 0.00 174.94 174.63 1iut s VAL 291 N -0.19 1.53 0.59 2.92 -7.23 -1.25 -0.85 120.40 115.92 1iut s VAL 291 Ca 0.02 -1.22 -0.19 0.00 -1.81 0.00 0.00 61.98 58.78 1iut s VAL 291 Cb -0.09 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 1iut s VAL 291 CO 0.01 0.10 1.25 -2.16 -0.31 0.00 0.00 175.10 173.98 1iut s PRO 292 N -1.31 2.96 0.64 4.82 0.04 -0.74 -4.75 135.00 136.65 1iut s PRO 292 Ca 0.06 1.94 0.37 0.00 0.04 0.00 0.00 61.00 63.41 1iut s PRO 292 Cb -0.09 -1.99 2.12 0.00 0.04 0.00 0.00 34.50 34.58 1iut s PRO 292 CO 0.02 -1.24 2.29 -1.35 0.04 0.00 0.00 177.00 176.75 1iut h PRO 293 N 0.98 0.00 -1.09 0.56 0.11 -1.93 -3.31 132.00 127.33 1iut h PRO 293 Ca -0.51 0.00 0.33 0.00 0.11 0.00 0.00 66.00 65.94 1iut h PRO 293 Cb 1.30 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.28 1iut h PRO 293 CO 0.55 0.00 0.66 1.15 -0.21 0.00 0.00 178.00 180.15 1iut h THR 294 N 0.00 0.32 -0.01 -1.15 2.02 -1.90 -0.16 112.91 112.02 1iut h THR 294 Ca 0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1iut h THR 294 Cb 0.08 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1iut h THR 294 CO -0.00 0.05 -0.20 0.61 0.37 0.00 0.00 175.52 176.35 1iut n GLY 295 N -1.39 -0.06 3.69 2.16 0.00 -1.25 -4.93 105.19 103.43 1iut n GLY 295 Ca 0.31 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1iut n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iut n ALA 296 N 0.01 -1.53 0.35 4.61 0.00 -0.07 -4.92 120.51 118.96 1iut n ALA 296 Ca 0.14 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.82 1iut n ALA 296 Cb 0.42 -4.14 -0.10 0.00 0.00 0.00 0.00 19.45 15.63 1iut n ALA 296 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iut n LYS 297 N -4.66 1.33 0.09 0.00 4.76 -1.26 -4.63 118.16 113.79 1iut n LYS 297 Ca -0.08 -0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.18 1iut n LYS 297 Cb 0.58 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.43 1iut n LYS 297 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1iut h GLY 298 N 3.10 -1.18 1.66 0.72 0.00 -1.88 0.31 103.07 105.80 1iut h GLY 298 Ca 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 47.33 47.86 1iut h GLY 298 CO 0.00 -0.33 -0.15 -2.00 0.00 0.00 0.00 176.54 174.06 1iut h LEU 299 N -0.55 0.40 -0.76 3.11 5.85 -1.93 -2.51 115.31 118.91 1iut h LEU 299 Ca -0.01 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 1iut h LEU 299 Cb 0.55 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1iut h LEU 299 CO -0.19 0.58 -0.29 0.78 -0.34 0.00 0.00 178.44 178.98 1iut h ASN 300 N 0.38 0.63 0.24 1.25 2.35 -1.74 -1.42 115.58 117.27 1iut h ASN 300 Ca 0.07 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.44 1iut h ASN 300 Cb 0.50 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1iut h ASN 300 CO 0.03 0.89 -0.55 -0.07 -1.65 0.00 0.00 177.43 176.08 1iut h LEU 301 N 0.53 0.37 -0.73 1.61 3.38 -0.24 -2.61 115.31 117.62 1iut h LEU 301 Ca 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1iut h LEU 301 Cb 0.77 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1iut h LEU 301 CO 0.06 0.85 0.42 0.00 0.09 0.00 0.00 178.44 179.86 1iut h ALA 302 N 1.16 0.93 -0.56 1.53 0.00 -1.07 -1.03 119.26 120.22 1iut h ALA 302 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1iut h ALA 302 Cb 1.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1iut h ALA 302 CO 0.09 0.42 0.35 0.00 0.00 0.00 0.00 179.25 180.11 1iut h ALA 303 N 1.22 0.71 -0.15 0.00 0.00 -1.04 -1.31 119.26 118.69 1iut h ALA 303 Ca 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1iut h ALA 303 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1iut h ALA 303 CO -0.05 0.11 -0.39 0.66 0.00 0.00 0.00 179.25 179.58 1iut h SER 304 N 0.72 0.34 -0.21 0.00 4.64 -1.07 0.14 113.55 118.10 1iut h SER 304 Ca 0.21 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1iut h SER 304 Cb -0.04 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 1iut h SER 304 CO -0.07 0.70 0.06 0.44 -0.87 0.00 0.00 176.83 177.09 1iut h ASP 305 N 0.28 0.31 -0.43 4.97 3.32 -0.89 -1.51 116.42 122.47 1iut h ASP 305 Ca 0.03 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1iut h ASP 305 Cb 0.81 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1iut h ASP 305 CO 0.06 0.45 0.22 0.58 -1.72 0.00 0.00 179.24 178.83 1iut h VAL 306 N 0.16 1.17 -0.51 -1.35 2.07 -1.02 0.18 116.25 116.94 1iut h VAL 306 Ca 0.07 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1iut h VAL 306 Cb 0.25 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1iut h VAL 306 CO -0.00 0.18 0.27 -1.28 0.02 0.00 0.00 177.57 176.76 1iut h SER 307 N 0.56 0.39 -0.21 0.57 0.87 -0.64 -0.28 113.55 114.80 1iut h SER 307 Ca 0.15 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1iut h SER 307 Cb 0.09 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1iut h SER 307 CO -0.02 0.27 0.03 0.74 -0.53 0.00 0.00 176.83 177.32 1iut h THR 308 N 0.52 1.23 -0.36 2.23 2.02 -0.92 -2.20 112.91 115.43 1iut h THR 308 Ca 0.22 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1iut h THR 308 Cb 0.12 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1iut h THR 308 CO -0.15 0.24 0.16 0.25 0.37 0.00 0.00 175.52 176.40 1iut h LEU 309 N 0.15 0.48 -0.04 2.58 5.85 -0.39 -2.24 115.31 121.70 1iut h LEU 309 Ca 0.06 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1iut h LEU 309 Cb 0.34 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1iut h LEU 309 CO 0.01 0.48 -0.11 0.22 -0.34 0.00 0.00 178.44 178.70 1iut h TYR 310 N 0.44 -0.28 -0.47 1.25 3.20 -1.05 0.10 116.97 120.16 1iut h TYR 310 Ca 0.12 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 1iut h TYR 310 Cb 0.14 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1iut h TYR 310 CO -0.01 -0.17 0.19 0.00 -1.64 0.00 0.00 178.16 176.53 1iut h ARG 311 N -0.17 0.66 -0.26 1.82 3.08 -1.30 0.88 114.38 119.09 1iut h ARG 311 Ca 0.05 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 1iut h ARG 311 Cb 0.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1iut h ARG 311 CO -0.14 0.54 -0.59 -0.07 -1.07 0.00 0.00 179.97 178.64 1iut h LEU 312 N 0.66 0.94 -0.75 3.04 3.38 -1.04 -2.23 115.31 119.31 1iut h LEU 312 Ca 0.16 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1iut h LEU 312 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1iut h LEU 312 CO -0.02 1.32 0.23 -0.07 0.09 0.00 0.00 178.44 179.99 1iut h LEU 313 N 0.63 1.10 -0.12 1.67 3.38 -0.14 -0.47 115.31 121.35 1iut h LEU 313 Ca 0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1iut h LEU 313 Cb 1.20 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1iut h LEU 313 CO 0.13 1.02 0.05 0.25 0.09 0.00 0.00 178.44 179.97 1iut h LEU 314 N 1.12 0.06 -0.99 1.67 6.46 -0.75 0.16 115.31 123.05 1iut h LEU 314 Ca 0.24 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 1iut h LEU 314 Cb 0.32 -0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.18 1iut h LEU 314 CO -0.01 0.06 0.64 0.11 -0.62 0.00 0.00 178.44 178.62 1iut h LYS 315 N 0.11 1.14 -0.28 1.25 1.79 -1.07 0.27 116.57 119.79 1iut h LYS 315 Ca 0.05 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1iut h LYS 315 Cb 0.02 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 1iut h LYS 315 CO -0.04 0.76 0.01 0.00 -1.08 0.00 0.00 179.45 179.09 1iut h ALA 316 N 1.44 0.38 0.08 3.86 0.00 -0.17 -1.19 119.26 123.65 1iut h ALA 316 Ca 0.42 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1iut h ALA 316 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1iut h ALA 316 CO -0.16 0.11 -0.79 1.88 0.00 0.00 0.00 179.25 180.29 1iut h TYR 317 N 0.28 0.30 0.02 0.00 0.05 -0.37 -2.74 116.97 114.51 1iut h TYR 317 Ca 0.08 -0.22 -0.27 0.00 0.05 0.00 0.00 58.73 58.38 1iut h TYR 317 Cb 0.41 -0.01 0.02 0.00 1.01 0.00 0.00 36.73 38.16 1iut h TYR 317 CO 0.03 1.31 -1.06 -0.09 -1.05 0.00 0.00 178.16 177.30 1iut h ARG 318 N -0.61 0.68 -0.21 4.88 2.43 -0.60 -3.36 114.38 117.59 1iut h ARG 318 Ca -0.17 -0.76 0.00 0.00 -0.81 0.00 0.00 59.98 58.24 1iut h ARG 318 Cb 1.45 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1iut h ARG 318 CO 0.04 1.33 0.00 0.39 -1.51 0.00 0.00 179.97 180.22 1iut n GLU 319 N -3.86 1.86 -1.21 0.20 1.02 -0.49 -4.97 120.64 113.19 1iut n GLU 319 Ca -0.11 -1.79 -0.07 0.00 -0.02 0.00 0.00 57.16 55.16 1iut n GLU 319 Cb 0.89 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.94 1iut n GLU 319 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iut n GLY 320 N 0.95 0.81 2.52 0.62 0.00 -1.02 -4.89 105.19 104.17 1iut n GLY 320 Ca 0.12 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1iut n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iut n ARG 321 N -1.27 4.11 0.28 1.61 5.12 -0.95 -4.75 116.66 120.82 1iut n ARG 321 Ca -0.07 -3.37 0.16 0.00 -1.93 0.00 0.00 57.85 52.64 1iut n ARG 321 Cb 0.43 -2.47 0.90 0.00 -1.16 0.00 0.00 32.46 30.16 1iut n ARG 321 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1iut h GLY 322 N 4.87 0.00 2.00 -0.13 0.00 -1.82 -2.51 103.07 105.48 1iut h GLY 322 Ca 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 1iut h GLY 322 CO 1.29 0.00 -0.01 1.05 0.00 0.00 0.00 176.54 178.87 1iut h GLU 323 N 0.00 0.00 0.00 4.80 9.09 -1.97 -2.74 114.58 123.76 1iut h GLU 323 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.41 1iut h GLU 323 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.20 1iut h GLU 323 CO -0.00 0.01 -0.06 -0.07 0.05 0.00 0.00 179.01 178.93 1iut h LEU 324 N 0.00 0.00 -2.84 3.06 3.38 -1.82 -2.79 115.31 114.30 1iut h LEU 324 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iut h LEU 324 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1iut h LEU 324 CO 0.00 0.06 -0.00 -0.07 0.09 0.00 0.00 178.44 178.52 1iut h LEU 325 N 0.00 0.00 -1.58 1.67 3.38 -1.70 -1.67 115.31 115.41 1iut h LEU 325 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iut h LEU 325 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1iut h LEU 325 CO 0.01 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.21 1iut h GLU 326 N 0.00 0.00 -0.01 1.13 5.08 -1.73 -2.55 114.58 116.50 1iut h GLU 326 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iut h GLU 326 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1iut h GLU 326 CO 0.00 0.00 -0.22 0.54 -1.00 0.00 0.00 179.01 178.33 1iut n ARG 327 N -2.82 0.66 -0.07 2.33 1.74 -0.63 -4.45 116.66 113.41 1iut n ARG 327 Ca 0.00 -0.32 -0.13 0.00 -0.77 0.00 0.00 57.85 56.63 1iut n ARG 327 Cb 0.22 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1iut n ARG 327 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1iut h TYR 328 N 0.79 -1.44 -0.43 -1.55 3.20 -1.61 -1.67 116.97 114.27 1iut h TYR 328 Ca 0.00 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1iut h TYR 328 Cb 0.45 0.67 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1iut h TYR 328 CO 0.00 -0.49 0.22 0.77 -1.64 0.00 0.00 178.16 177.02 1iut h SER 329 N -0.44 0.33 -0.75 -2.11 0.02 -1.84 -1.44 113.55 107.31 1iut h SER 329 Ca 0.08 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1iut h SER 329 Cb 0.62 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 1iut h SER 329 CO -0.51 0.24 0.49 0.00 -1.14 0.00 0.00 176.83 175.91 1iut h ALA 330 N 1.22 0.96 -0.03 3.77 0.00 -1.76 -1.02 119.26 122.39 1iut h ALA 330 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1iut h ALA 330 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1iut h ALA 330 CO -0.12 0.35 -0.01 0.82 0.00 0.00 0.00 179.25 180.29 1iut h ILE 331 N 1.00 1.30 -0.54 0.00 2.04 -1.03 -3.17 117.51 117.10 1iut h ILE 331 Ca 0.28 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1iut h ILE 331 Cb -0.09 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1iut h ILE 331 CO -0.07 0.24 0.12 0.00 0.00 0.00 0.00 178.15 178.44 1iut h LEU 333 N 0.77 0.23 -0.47 0.00 3.38 -1.23 -0.45 115.31 117.54 1iut h LEU 333 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1iut h LEU 333 Cb 0.37 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1iut h LEU 333 CO 0.01 0.17 0.31 0.03 0.09 0.00 0.00 178.44 179.04 1iut h ARG 334 N 0.28 0.63 -0.14 1.13 3.08 -1.53 -1.25 114.38 116.57 1iut h ARG 334 Ca 0.09 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.87 1iut h ARG 334 Cb 0.01 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.94 1iut h ARG 334 CO -0.02 0.43 -0.79 -0.09 -1.07 0.00 0.00 179.97 178.43 1iut h ARG 335 N 0.64 0.77 -0.19 0.04 2.43 -1.52 -3.10 114.38 113.44 1iut h ARG 335 Ca 0.17 -0.63 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1iut h ARG 335 Cb -0.06 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1iut h ARG 335 CO -0.04 1.24 0.10 0.82 -1.51 0.00 0.00 179.97 180.58 1iut h ILE 336 N 0.52 1.00 -0.70 1.20 2.04 -0.94 -1.47 117.51 119.15 1iut h ILE 336 Ca -0.05 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1iut h ILE 336 Cb 1.42 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1iut h ILE 336 CO 0.16 0.04 0.29 -0.50 0.00 0.00 0.00 178.15 178.13 1iut h TRP 337 N 0.21 1.05 -0.33 1.37 4.06 -1.28 0.24 115.95 121.26 1iut h TRP 337 Ca 0.08 -0.07 -0.13 0.00 2.06 0.00 0.00 58.89 60.83 1iut h TRP 337 Cb 0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 1iut h TRP 337 CO -0.09 0.79 -0.33 0.87 -3.56 0.00 0.00 178.44 176.12 1iut h LYS 338 N 1.02 0.72 -0.27 0.49 1.57 -1.43 0.50 116.57 119.16 1iut h LYS 338 Ca 0.24 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1iut h LYS 338 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1iut h LYS 338 CO -0.02 0.95 -0.41 0.00 -0.57 0.00 0.00 179.45 179.39 1iut h ALA 339 N 1.03 0.76 -0.56 3.86 0.00 -0.85 -1.42 119.26 122.08 1iut h ALA 339 Ca 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1iut h ALA 339 Cb 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1iut h ALA 339 CO 0.07 0.66 0.22 0.93 0.00 0.00 0.00 179.25 181.13 1iut h GLU 340 N 0.54 0.84 -0.38 0.00 4.39 -0.23 -0.42 114.58 119.33 1iut h GLU 340 Ca 0.04 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1iut h GLU 340 Cb 0.94 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 1iut h GLU 340 CO 0.09 0.74 0.24 -0.09 -1.16 0.00 0.00 179.01 178.82 1iut h ARG 341 N 0.77 0.51 -0.43 2.33 2.43 -0.68 -0.33 114.38 118.99 1iut h ARG 341 Ca 0.19 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1iut h ARG 341 Cb 0.21 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1iut h ARG 341 CO -0.01 0.37 0.17 0.35 -1.51 0.00 0.00 179.97 179.34 1iut h PHE 342 N 0.50 0.65 -0.48 2.20 3.57 -1.09 -1.01 116.94 121.28 1iut h PHE 342 Ca 0.14 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1iut h PHE 342 Cb -0.01 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1iut h PHE 342 CO -0.04 0.57 0.14 0.77 -2.23 0.00 0.00 178.31 177.52 1iut h SER 343 N 0.54 0.65 -0.28 0.41 0.02 -0.82 -0.91 113.55 113.17 1iut h SER 343 Ca 0.14 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1iut h SER 343 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1iut h SER 343 CO -0.01 0.62 -0.14 -0.25 -1.14 0.00 0.00 176.83 175.91 1iut h TRP 344 N 0.69 0.67 -0.20 3.45 7.01 -0.89 -1.78 115.95 124.91 1iut h TRP 344 Ca 0.16 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1iut h TRP 344 Cb 0.21 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1iut h TRP 344 CO 0.01 0.83 0.10 2.35 -2.79 0.00 0.00 178.44 178.95 1iut h TRP 345 N 0.32 0.28 -0.50 2.65 7.01 -0.69 -0.35 115.95 124.67 1iut h TRP 345 Ca 0.06 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.09 1iut h TRP 345 Cb 0.66 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 1iut h TRP 345 CO 0.06 0.27 0.27 0.52 -2.79 0.00 0.00 178.44 176.78 1iut h MET 346 N 0.20 0.52 -0.37 2.65 2.86 -1.18 -1.59 114.93 118.02 1iut h MET 346 Ca 0.07 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1iut h MET 346 Cb 0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1iut h MET 346 CO -0.01 0.34 0.23 1.15 1.06 0.00 0.00 176.91 179.69 1iut h THR 347 N 0.54 1.12 0.00 2.22 2.02 -1.04 -2.12 112.91 115.65 1iut h THR 347 Ca 0.21 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1iut h THR 347 Cb 0.09 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1iut h THR 347 CO -0.13 0.11 -0.33 0.77 0.37 0.00 0.00 175.52 176.32 1iut h SER 348 N 0.50 0.00 0.92 4.18 4.64 -0.58 -2.71 113.55 120.50 1iut h SER 348 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1iut h SER 348 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1iut h SER 348 CO -0.03 0.33 -1.07 1.33 -0.87 0.00 0.00 176.83 176.53 1iut n VAL 349 N -3.79 0.58 -0.01 0.95 0.24 -0.64 -4.42 118.33 111.23 1iut n VAL 349 Ca -0.01 -0.54 0.08 0.00 -2.04 0.00 0.00 64.34 61.82 1iut n VAL 349 Cb 0.41 -0.31 -0.15 0.00 -1.47 0.00 0.00 33.84 32.32 1iut n VAL 349 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1iut n LEU 350 N -2.64 0.08 -4.96 1.34 4.77 -0.81 -4.92 117.00 109.85 1iut n LEU 350 Ca -0.00 0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 1iut n LEU 350 Cb 0.55 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1iut n LEU 350 CO 0.40 0.06 0.03 -1.00 -1.33 0.00 0.00 177.39 175.55 1iut s HIS 351 N -3.35 3.45 -0.28 -1.77 3.76 -1.03 -4.30 115.29 111.78 1iut s HIS 351 Ca -0.08 0.09 -0.10 0.00 -0.15 0.00 0.00 55.06 54.82 1iut s HIS 351 Cb 0.12 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 1iut s HIS 351 CO 0.89 0.33 0.17 1.03 -0.85 0.00 0.00 174.74 176.30 1iut s ARG 352 N -4.09 3.81 0.13 1.40 3.00 -1.26 -4.95 118.95 116.98 1iut s ARG 352 Ca 0.36 -0.41 -0.12 0.00 0.00 0.00 0.00 55.73 55.56 1iut s ARG 352 Cb -0.09 -3.60 -0.07 0.00 0.00 0.00 0.00 34.95 31.20 1iut s ARG 352 CO 0.31 -0.22 0.49 -0.06 0.00 0.00 0.00 175.30 175.82 1iut s PHE 353 N 1.72 3.58 0.36 -0.53 0.40 -1.26 -4.98 117.98 117.27 1iut s PHE 353 Ca 0.07 0.94 -0.27 0.00 -0.60 0.00 0.00 56.93 57.07 1iut s PHE 353 Cb -0.16 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.00 1iut s PHE 353 CO 0.09 0.45 1.19 -2.14 0.70 0.00 0.00 175.22 175.51 1iut s PRO 354 N -2.02 4.22 -0.95 0.24 0.02 -1.26 -4.01 135.00 131.25 1iut s PRO 354 Ca 0.37 1.93 -0.09 0.00 0.02 0.00 0.00 61.00 63.23 1iut s PRO 354 Cb -0.14 -2.86 -0.01 0.00 0.02 0.00 0.00 34.50 31.51 1iut s PRO 354 CO 0.19 -0.20 0.73 -0.25 -0.33 0.00 0.00 177.00 177.14 1iut n ASP 355 N 0.44 -5.97 -4.58 2.53 8.00 -1.26 -4.98 116.55 110.73 1iut n ASP 355 Ca 0.02 -0.73 -0.34 0.00 0.71 0.00 0.00 54.79 54.45 1iut n ASP 355 Cb 0.45 -3.58 -0.11 0.00 -0.02 0.00 0.00 41.12 37.86 1iut n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iut s THR 356 N -3.22 4.44 0.77 -3.53 2.01 -1.26 -5.11 115.64 109.76 1iut s THR 356 Ca 0.23 -0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 1iut s THR 356 Cb -0.08 -2.98 0.06 0.00 0.01 0.00 0.00 72.50 69.50 1iut s THR 356 CO 0.83 0.47 1.11 1.51 -0.69 0.00 0.00 174.62 177.85 1iut s ASP 357 N 0.42 4.76 0.26 3.53 1.47 -1.26 -4.89 116.67 120.96 1iut s ASP 357 Ca 0.01 1.16 -0.03 0.00 1.18 0.00 0.00 52.55 54.87 1iut s ASP 357 Cb -0.13 -1.88 0.40 0.00 -0.34 0.00 0.00 42.92 40.97 1iut s ASP 357 CO 0.01 -1.78 1.86 0.00 0.68 0.00 0.00 175.17 175.94 1iut h ALA 358 N -0.96 1.31 0.11 2.11 0.00 -2.00 -2.60 119.26 117.23 1iut h ALA 358 Ca -0.46 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1iut h ALA 358 Cb 1.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1iut h ALA 358 CO 0.62 0.31 -0.13 0.35 0.00 0.00 0.00 179.25 180.40 1iut h PHE 359 N 1.03 -0.35 -1.00 0.00 3.57 -1.99 -2.32 116.94 115.89 1iut h PHE 359 Ca 0.42 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.96 1iut h PHE 359 Cb 0.24 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1iut h PHE 359 CO -0.02 -0.21 0.65 0.77 -2.23 0.00 0.00 178.31 177.28 1iut h SER 360 N -0.28 1.09 -0.45 0.41 0.02 -1.87 0.39 113.55 112.85 1iut h SER 360 Ca 0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1iut h SER 360 Cb 0.28 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1iut h SER 360 CO -0.05 0.74 0.26 1.56 -1.14 0.00 0.00 176.83 178.20 1iut h GLN 361 N 1.26 0.61 -0.60 3.45 4.20 -1.35 0.62 115.11 123.30 1iut h GLN 361 Ca 0.40 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.97 1iut h GLN 361 Cb 0.01 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1iut h GLN 361 CO -0.13 0.47 0.07 0.00 -0.67 0.00 0.00 178.83 178.57 1iut h ARG 362 N 0.59 0.99 -0.57 1.46 2.47 -0.87 -1.67 114.38 116.78 1iut h ARG 362 Ca 0.16 -0.26 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 1iut h ARG 362 Cb 0.02 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 1iut h ARG 362 CO -0.03 0.93 -0.06 0.82 0.56 0.00 0.00 179.97 182.19 1iut h ILE 363 N 0.93 1.27 -0.31 2.04 1.08 -0.57 -1.14 117.51 120.81 1iut h ILE 363 Ca 0.18 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.46 1iut h ILE 363 Cb 0.44 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 1iut h ILE 363 CO 0.01 0.44 0.15 -0.61 -0.69 0.00 0.00 178.15 177.45 1iut h GLN 364 N 0.93 0.31 -0.70 2.37 4.15 -0.59 0.12 115.11 121.69 1iut h GLN 364 Ca 0.15 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1iut h GLN 364 Cb 0.63 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1iut h GLN 364 CO 0.04 0.20 0.22 0.37 -1.93 0.00 0.00 178.83 177.73 1iut h GLN 365 N 0.32 1.08 -0.07 1.69 4.15 -1.19 -2.77 115.11 118.32 1iut h GLN 365 Ca 0.13 -0.23 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 1iut h GLN 365 Cb 0.05 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1iut h GLN 365 CO -0.09 0.93 -0.45 1.15 -1.93 0.00 0.00 178.83 178.43 1iut h THR 366 N 1.04 1.33 -0.32 2.39 2.02 -0.42 -1.50 112.91 117.46 1iut h THR 366 Ca 0.23 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1iut h THR 366 Cb 0.29 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1iut h THR 366 CO -0.01 0.47 0.20 -0.33 0.37 0.00 0.00 175.52 176.23 1iut h GLU 367 N 0.14 0.42 -0.07 6.66 4.39 -0.53 0.14 114.58 125.74 1iut h GLU 367 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1iut h GLU 367 Cb 0.86 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1iut h GLU 367 CO 0.07 0.30 0.03 -0.07 -1.16 0.00 0.00 179.01 178.18 1iut h LEU 368 N 0.42 0.10 -1.09 1.33 3.38 -1.24 -0.17 115.31 118.05 1iut h LEU 368 Ca 0.12 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iut h LEU 368 Cb -0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1iut h LEU 368 CO -0.02 0.19 0.62 -0.33 0.09 0.00 0.00 178.44 178.99 1iut h GLU 369 N -0.01 1.23 0.26 1.13 5.08 -1.06 -0.73 114.58 120.48 1iut h GLU 369 Ca 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1iut h GLU 369 Cb 0.12 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1iut h GLU 369 CO -0.00 0.81 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.77 1iut h TYR 370 N 1.26 -0.33 0.00 4.33 3.20 -0.48 -2.60 116.97 122.35 1iut h TYR 370 Ca 0.34 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1iut h TYR 370 Cb -0.14 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1iut h TYR 370 CO -0.00 0.03 -0.07 1.88 -1.64 0.00 0.00 178.16 178.36 1iut h TYR 371 N -0.91 0.00 -0.00 -3.82 0.05 -0.93 -1.87 116.97 109.49 1iut h TYR 371 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1iut h TYR 371 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1iut h TYR 371 CO 0.05 0.07 -0.45 1.28 -1.05 0.00 0.00 178.16 178.06 1iut n LEU 372 N -4.31 0.61 -0.11 3.88 4.32 -0.29 -1.70 117.00 119.40 1iut n LEU 372 Ca -0.03 -0.05 0.04 0.00 -0.02 0.00 0.00 56.01 55.95 1iut n LEU 372 Cb 0.15 -0.22 -0.02 0.00 -1.62 0.00 0.00 43.42 41.71 1iut n LEU 372 CO 0.34 0.14 0.10 0.61 -1.22 0.00 0.00 177.39 177.35 1iut n GLY 373 N 1.47 0.00 3.60 -0.72 0.00 -0.84 -4.94 105.19 103.75 1iut n GLY 373 Ca 0.07 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1iut n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iut s SER 374 N -1.52 4.87 0.26 1.61 0.15 -0.76 -5.01 113.70 113.30 1iut s SER 374 Ca 0.05 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.67 1iut s SER 374 Cb 0.07 -1.41 0.31 0.00 -1.71 0.00 0.00 66.02 63.28 1iut s SER 374 CO 0.28 0.32 1.90 -0.33 1.20 0.00 0.00 173.24 176.61 1iut h GLU 375 N 5.55 1.17 -0.34 5.44 4.39 -1.91 0.11 114.58 128.99 1iut h GLU 375 Ca -0.45 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 58.96 1iut h GLU 375 Cb 1.18 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1iut h GLU 375 CO 0.55 0.84 -0.44 0.00 -1.16 0.00 0.00 179.01 178.80 1iut h ALA 376 N 1.36 0.51 -0.35 3.43 0.00 -1.94 -2.38 119.26 119.89 1iut h ALA 376 Ca 0.30 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1iut h ALA 376 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1iut h ALA 376 CO -0.05 0.66 0.17 0.78 0.00 0.00 0.00 179.25 180.80 1iut h GLY 377 N 0.70 0.54 0.82 0.00 0.00 -1.60 -2.44 103.07 101.10 1iut h GLY 377 Ca 0.04 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.14 1iut h GLY 377 CO 0.10 0.26 0.48 1.41 0.00 0.00 0.00 176.54 178.79 1iut h LEU 378 N 0.43 0.79 -1.31 3.11 3.38 0.10 -2.17 115.31 119.64 1iut h LEU 378 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1iut h LEU 378 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1iut h LEU 378 CO -0.02 0.53 -0.05 0.00 0.09 0.00 0.00 178.44 178.99 1iut h ALA 379 N 1.34 1.43 -0.31 1.53 0.00 -1.20 -0.18 119.26 121.88 1iut h ALA 379 Ca 0.32 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1iut h ALA 379 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1iut h ALA 379 CO -0.13 0.40 -0.30 1.79 0.00 0.00 0.00 179.25 181.01 1iut h THR 380 N 0.39 1.28 0.11 0.00 1.35 -0.91 -1.39 112.91 113.73 1iut h THR 380 Ca 0.08 -1.42 -0.01 0.00 -0.55 0.00 0.00 66.41 64.52 1iut h THR 380 Cb 0.34 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1iut h THR 380 CO 0.01 0.46 -0.05 0.40 -0.25 0.00 0.00 175.52 176.09 1iut h ILE 381 N 0.56 1.09 -0.24 6.82 2.04 -1.21 -3.09 117.51 123.48 1iut h ILE 381 Ca 0.07 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1iut h ILE 381 Cb 0.80 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1iut h ILE 381 CO 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 178.15 178.42 1iut h ALA 382 N 0.19 0.20 -0.18 1.87 0.00 -0.99 0.22 119.26 120.56 1iut h ALA 382 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1iut h ALA 382 Cb 0.48 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1iut h ALA 382 CO 0.03 -0.44 -0.12 1.05 0.00 0.00 0.00 179.25 179.77 1iut h GLU 383 N 0.05 0.29 0.07 0.00 4.11 -1.37 -0.96 114.58 116.77 1iut h GLU 383 Ca 0.11 -0.07 -0.26 0.00 0.07 0.00 0.00 59.36 59.21 1iut h GLU 383 Cb 0.15 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1iut h GLU 383 CO -0.20 0.42 -1.11 -0.91 0.07 0.00 0.00 179.01 177.28 1iut h ASN 384 N 0.28 0.64 -0.29 3.06 2.35 -1.38 -2.85 115.58 117.39 1iut h ASN 384 Ca 0.06 -0.57 -0.05 0.00 -0.55 0.00 0.00 56.30 55.18 1iut h ASN 384 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1iut h ASN 384 CO 0.02 1.39 -0.02 0.22 -1.65 0.00 0.00 177.43 177.39 1iut h TYR 385 N 0.22 0.57 0.00 1.19 3.20 -0.07 -2.50 116.97 119.58 1iut h TYR 385 Ca -0.13 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.63 1iut h TYR 385 Cb 1.77 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1iut h TYR 385 CO 0.08 0.68 0.00 -0.39 -1.64 0.00 0.00 178.16 176.89 1iut h VAL 386 N 0.30 0.00 0.00 1.81 -1.51 -1.29 -3.48 116.25 112.07 1iut h VAL 386 Ca 0.08 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1iut h VAL 386 Cb 0.47 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1iut h VAL 386 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 1iut n GLY 387 N 0.23 2.25 3.76 5.19 0.00 -0.94 -4.17 105.19 111.52 1iut n GLY 387 Ca 0.01 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 1iut n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iut s LEU 388 N 0.00 3.38 0.57 0.99 1.02 -1.24 -4.86 118.68 118.54 1iut s LEU 388 Ca 0.00 2.07 -0.20 0.00 0.02 0.00 0.00 54.13 56.01 1iut s LEU 388 Cb 0.00 -4.56 -0.04 0.00 0.02 0.00 0.00 46.19 41.61 1iut s LEU 388 CO 0.00 -1.74 1.28 -2.16 0.02 0.00 0.00 176.35 173.74 1iut s PRO 389 N -4.05 3.03 0.41 1.29 0.04 -1.26 -5.00 135.00 129.45 1iut s PRO 389 Ca 0.68 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.52 1iut s PRO 389 Cb -0.22 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1iut s PRO 389 CO 0.42 -1.22 1.05 0.71 0.04 0.00 0.00 177.00 178.01 1iut s TYR 390 N -1.43 3.22 0.46 0.56 1.51 -1.26 -5.03 117.35 115.38 1iut s TYR 390 Ca 0.75 1.63 -0.20 0.00 -1.01 0.00 0.00 57.07 58.24 1iut s TYR 390 Cb -0.36 -3.14 -0.10 0.00 -0.11 0.00 0.00 41.96 38.26 1iut s TYR 390 CO 0.40 -0.69 0.97 -2.00 -1.11 0.00 0.00 175.55 173.12 1iut s GLU 391 N -2.57 4.09 0.28 -0.62 2.12 -1.26 -5.00 118.70 115.74 1iut s GLU 391 Ca 0.59 1.12 0.19 0.00 0.36 0.00 0.00 54.97 57.23 1iut s GLU 391 Cb -0.22 -2.16 0.10 0.00 0.26 0.00 0.00 34.13 32.12 1iut s GLU 391 CO 0.27 -0.15 1.31 1.49 -0.54 0.00 0.00 175.26 177.64 1iut h GLU 392 N 1.62 0.00 0.00 4.30 4.57 -2.01 -3.50 114.58 119.56 1iut h GLU 392 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1iut h GLU 392 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1iut h GLU 392 CO 0.61 0.21 0.00 -0.89 -1.18 0.00 0.00 179.01 177.75 1iut n ILE 393 N -3.02 0.00 -0.83 2.32 5.41 -1.26 -5.14 119.36 116.85 1iut n ILE 393 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1iut n ILE 393 Cb 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.58 1iut n ILE 393 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76