#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk s ARG 8 N 0.00 4.13 0.00 4.33 1.81 -1.26 -5.08 118.95 122.88 3iwk s ARG 8 Ca 0.00 1.17 0.00 0.00 -1.72 0.00 0.00 55.73 55.18 3iwk s ARG 8 Cb 0.00 -2.16 0.00 0.00 -0.45 0.00 0.00 34.95 32.34 3iwk s ARG 8 CO 0.00 -0.13 0.00 1.04 -0.68 0.00 0.00 175.30 175.53 3iwk n GLN 9 N -0.73 3.74 -2.71 3.54 1.13 -1.26 -4.58 117.38 116.51 3iwk n GLN 9 Ca 0.08 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.74 3iwk n GLN 9 Cb 0.54 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.83 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iwk s LEU 10 N 0.00 4.61 -0.49 1.08 1.43 -0.22 -4.85 118.68 120.24 3iwk s LEU 10 Ca 0.00 2.00 -0.18 0.00 -1.03 0.00 0.00 54.13 54.92 3iwk s LEU 10 Cb 0.00 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.64 3iwk s LEU 10 CO 0.00 0.09 0.54 0.12 0.23 0.00 0.00 176.35 177.34 3iwk s PHE 11 N -1.20 3.12 -0.03 0.29 5.36 -0.92 -0.05 117.98 124.54 3iwk s PHE 11 Ca 0.42 -0.67 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 3iwk s PHE 11 Cb -0.27 -3.40 0.01 0.00 -0.34 0.00 0.00 43.02 39.03 3iwk s PHE 11 CO 0.33 -0.95 -0.06 0.42 -1.46 0.00 0.00 175.22 173.50 3iwk s ILE 12 N 2.27 0.60 -1.43 3.12 1.01 -0.60 -0.44 121.20 125.73 3iwk s ILE 12 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3iwk s ILE 12 Cb -0.21 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.68 3iwk s ILE 12 CO 0.10 0.22 0.00 -0.67 0.00 0.00 0.00 174.94 174.59 3iwk n ASP 13 N 3.65 -4.42 0.00 3.58 2.03 -1.26 -2.18 116.55 117.95 3iwk n ASP 13 Ca -0.22 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3iwk n ASP 13 Cb 0.53 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 37.10 3iwk n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iwk n GLY 14 N -0.67 0.82 3.54 0.27 0.00 -1.26 -4.24 105.19 103.66 3iwk n GLY 14 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3iwk n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iwk s GLU 15 N -0.78 1.74 -0.18 1.61 4.04 -0.93 -4.90 118.70 119.31 3iwk s GLU 15 Ca 0.00 -1.51 -0.25 0.00 0.04 0.00 0.00 54.97 53.26 3iwk s GLU 15 Cb 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 34.13 34.59 3iwk s GLU 15 CO 0.00 -0.73 0.80 -1.58 -1.84 0.00 0.00 175.26 171.92 3iwk s TRP 16 N -3.47 3.41 -0.06 4.83 0.52 -1.26 -1.55 118.94 121.35 3iwk s TRP 16 Ca 0.26 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.63 3iwk s TRP 16 Cb -0.00 -2.98 -0.00 0.00 -1.15 0.00 0.00 33.47 29.33 3iwk s TRP 16 CO 0.14 -0.24 -0.21 1.03 0.02 0.00 0.00 176.95 177.69 3iwk s ARG 17 N 2.15 2.36 0.22 4.98 0.52 0.93 -4.94 118.95 125.17 3iwk s ARG 17 Ca 0.37 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 3iwk s ARG 17 Cb -0.16 -1.93 -0.08 0.00 0.52 0.00 0.00 34.95 33.29 3iwk s ARG 17 CO 0.12 0.25 1.08 0.08 0.02 0.00 0.00 175.30 176.85 3iwk s VAL 18 N 0.12 3.75 0.30 3.52 1.01 -1.26 -1.06 120.40 126.78 3iwk s VAL 18 Ca -0.09 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 3iwk s VAL 18 Cb -0.14 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 3iwk s VAL 18 CO 0.05 0.33 1.36 -0.81 0.00 0.00 0.00 175.10 176.02 3iwk n PRO 19 N 1.84 2.16 -0.31 2.72 -0.04 -1.26 -4.89 135.00 135.22 3iwk n PRO 19 Ca 0.01 0.76 0.06 0.00 -0.04 0.00 0.00 63.50 64.29 3iwk n PRO 19 Cb 0.46 -2.39 0.21 0.00 -0.04 0.00 0.00 33.50 31.74 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3iwk h ILE 20 N 2.79 0.82 -0.00 0.52 1.08 -1.94 0.96 117.51 121.73 3iwk h ILE 20 Ca -0.46 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3iwk h ILE 20 Cb 1.27 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 3iwk h ILE 20 CO 0.68 0.14 -0.11 0.18 -0.69 0.00 0.00 178.15 178.35 3iwk n LEU 21 N -4.78 0.57 -3.11 1.44 4.32 -1.26 -4.96 117.00 109.23 3iwk n LEU 21 Ca 0.16 -0.06 -0.22 0.00 -0.02 0.00 0.00 56.01 55.88 3iwk n LEU 21 Cb 0.37 -0.15 0.01 0.00 -1.62 0.00 0.00 43.42 42.03 3iwk n LEU 21 CO 0.24 0.10 -0.04 -3.20 -1.22 0.00 0.00 177.39 173.28 3iwk n ASN 22 N -0.84 -4.80 -4.89 -1.43 5.15 0.33 -4.99 115.26 103.79 3iwk n ASN 22 Ca 0.15 -0.28 -0.30 0.00 -0.60 0.00 0.00 54.58 53.55 3iwk n ASN 22 Cb 0.28 -3.94 -0.04 0.00 -0.53 0.00 0.00 39.78 35.56 3iwk n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3iwk s LYS 23 N -5.76 3.73 0.02 1.20 1.02 -1.26 -5.02 119.74 113.67 3iwk s LYS 23 Ca 0.31 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.55 3iwk s LYS 23 Cb -0.15 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 3iwk s LYS 23 CO 0.38 0.15 -0.05 1.03 -0.92 0.00 0.00 175.35 175.95 3iwk s ARG 24 N -3.47 0.37 -0.17 1.68 0.52 -1.26 -1.29 118.95 115.33 3iwk s ARG 24 Ca 0.47 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 55.10 3iwk s ARG 24 Cb -0.11 -0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.25 3iwk s ARG 24 CO 0.28 0.01 -0.08 0.42 0.02 0.00 0.00 175.30 175.95 3iwk s ILE 25 N -1.16 3.31 0.34 1.52 1.01 -0.19 -4.88 121.20 121.16 3iwk s ILE 25 Ca -0.10 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 3iwk s ILE 25 Cb -0.08 -2.45 -0.11 0.00 0.01 0.00 0.00 42.46 39.83 3iwk s ILE 25 CO -0.00 0.48 1.51 -2.84 0.00 0.00 0.00 174.94 174.09 3iwk s PRO 26 N 0.77 4.13 -0.21 2.79 0.02 -1.26 -1.94 135.00 139.31 3iwk s PRO 26 Ca -0.03 2.54 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 3iwk s PRO 26 Cb -0.15 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.38 3iwk s PRO 26 CO 0.02 -0.54 -0.11 1.21 -0.33 0.00 0.00 177.00 177.25 3iwk s ASN 27 N 0.06 3.84 -0.06 2.53 2.47 -0.78 -4.91 114.94 118.09 3iwk s ASN 27 Ca 0.56 -0.59 -0.08 0.00 0.42 0.00 0.00 52.86 53.17 3iwk s ASN 27 Cb -0.46 -1.62 -0.05 0.00 -1.45 0.00 0.00 41.25 37.67 3iwk s ASN 27 CO 0.57 -0.03 0.23 -0.63 -3.72 0.00 0.00 177.10 173.51 3iwk s ILE 28 N 1.37 5.36 -0.30 -5.21 -1.09 -1.26 -1.09 121.20 118.98 3iwk s ILE 28 Ca 0.04 0.31 -0.26 0.00 -2.23 0.00 0.00 60.65 58.51 3iwk s ILE 28 Cb -0.14 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3iwk s ILE 28 CO -0.07 0.53 0.92 0.21 -1.23 0.00 0.00 174.94 175.30 3iwk s ASN 29 N -1.25 6.81 0.42 3.58 3.04 -0.68 -4.88 114.94 121.97 3iwk s ASN 29 Ca 0.20 0.89 0.09 0.00 0.04 0.00 0.00 52.86 54.09 3iwk s ASN 29 Cb -0.13 -2.47 0.89 0.00 -1.54 0.00 0.00 41.25 38.00 3iwk s ASN 29 CO 0.10 -0.71 2.02 -0.65 -3.04 0.00 0.00 177.10 174.81 3iwk h PRO 30 N 8.03 0.35 0.00 0.43 0.11 -1.80 0.16 132.00 139.27 3iwk h PRO 30 Ca -0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3iwk h PRO 30 Cb 1.08 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3iwk h PRO 30 CO 0.95 0.31 -0.36 0.66 -0.21 0.00 0.00 178.00 179.35 3iwk h SER 31 N 0.36 0.00 0.00 -2.05 4.64 -1.92 -1.58 113.55 112.99 3iwk h SER 31 Ca 0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 3iwk h SER 31 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3iwk h SER 31 CO -0.01 0.07 -1.54 0.35 -0.87 0.00 0.00 176.83 174.84 3iwk n THR 32 N -3.00 0.47 -1.06 2.95 -2.24 -1.08 -3.53 114.28 106.79 3iwk n THR 32 Ca 0.02 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 3iwk n THR 32 Cb 0.57 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 3iwk n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iwk n GLU 33 N -2.22 -0.32 -3.96 -0.78 1.02 0.53 -4.47 120.64 110.44 3iwk n GLU 33 Ca -0.11 0.36 -0.34 0.00 -0.02 0.00 0.00 57.16 57.05 3iwk n GLU 33 Cb 0.67 -3.84 -0.06 0.00 -0.02 0.00 0.00 31.44 28.20 3iwk n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3iwk s ASN 34 N -2.48 6.17 -0.17 1.62 0.01 -1.25 -4.85 114.94 113.99 3iwk s ASN 34 Ca 0.00 0.33 -0.29 0.00 -0.71 0.00 0.00 52.86 52.19 3iwk s ASN 34 Cb 0.00 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.70 3iwk s ASN 34 CO 0.00 0.32 1.85 -0.63 -1.51 0.00 0.00 177.10 177.13 3iwk s ILE 35 N -1.18 3.37 -1.71 0.60 1.01 -1.26 -1.69 121.20 120.34 3iwk s ILE 35 Ca 0.22 0.41 0.23 0.00 0.00 0.00 0.00 60.65 61.51 3iwk s ILE 35 Cb -0.12 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3iwk s ILE 35 CO 0.12 -0.16 1.10 0.00 0.00 0.00 0.00 174.94 176.00 3iwk n ILE 36 N 6.60 0.00 -2.29 2.92 0.13 -0.25 -4.95 119.36 121.51 3iwk n ILE 36 Ca 0.22 -0.17 0.00 0.00 -1.10 0.00 0.00 62.75 61.70 3iwk n ILE 36 Cb 0.44 1.07 0.00 0.00 -0.84 0.00 0.00 39.64 40.31 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3iwk n GLY 37 N 1.44 -0.42 3.82 4.50 0.00 -1.23 -5.04 105.19 108.25 3iwk n GLY 37 Ca 0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 3iwk n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iwk s ASP 38 N -4.00 -0.22 0.08 1.61 1.47 -1.26 -1.87 116.67 112.47 3iwk s ASP 38 Ca 0.00 -0.68 0.03 0.00 1.18 0.00 0.00 52.55 53.08 3iwk s ASP 38 Cb 0.00 0.72 -0.03 0.00 -0.34 0.00 0.00 42.92 43.26 3iwk s ASP 38 CO 0.00 -1.34 -0.10 0.27 0.68 0.00 0.00 175.17 174.69 3iwk s ILE 39 N -3.87 0.83 0.35 2.11 -0.00 -0.82 -4.92 121.20 114.88 3iwk s ILE 39 Ca 0.13 -1.47 -0.28 0.00 -0.00 0.00 0.00 60.65 59.03 3iwk s ILE 39 Cb -0.05 -1.15 -0.09 0.00 -0.00 0.00 0.00 42.46 41.16 3iwk s ILE 39 CO 0.08 -0.50 1.22 -2.16 -0.00 0.00 0.00 174.94 173.58 3iwk s PRO 40 N -2.43 4.29 -0.58 0.37 0.04 -1.26 -1.02 135.00 134.41 3iwk s PRO 40 Ca 0.01 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.91 3iwk s PRO 40 Cb -0.05 -2.95 0.14 0.00 0.04 0.00 0.00 34.50 31.68 3iwk s PRO 40 CO -0.00 -0.17 0.52 0.00 0.04 0.00 0.00 177.00 177.39 3iwk s ALA 41 N -1.24 3.68 0.44 8.56 0.00 -0.41 -3.54 121.76 129.24 3iwk s ALA 41 Ca 0.51 -2.67 -0.22 0.00 0.00 0.00 0.00 51.96 49.58 3iwk s ALA 41 Cb -0.35 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3iwk s ALA 41 CO 0.46 -2.04 1.02 0.00 0.00 0.00 0.00 175.76 175.19 3iwk s ALA 42 N 1.31 2.99 0.41 0.00 0.00 0.43 -4.48 121.76 122.41 3iwk s ALA 42 Ca 0.06 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.64 3iwk s ALA 42 Cb -0.26 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3iwk s ALA 42 CO 0.01 -0.18 0.08 0.25 0.00 0.00 0.00 175.76 175.91 3iwk n THR 43 N -0.53 0.00 -0.35 0.00 -2.24 -1.26 -3.53 114.28 106.37 3iwk n THR 43 Ca 0.07 -2.16 0.04 0.00 -2.27 0.00 0.00 64.05 59.73 3iwk n THR 43 Cb 0.52 0.64 0.11 0.00 -2.10 0.00 0.00 70.33 69.49 3iwk n THR 43 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3iwk h LYS 44 N 0.00 -0.00 0.00 -0.78 1.63 -1.94 -1.02 116.57 114.46 3iwk h LYS 44 Ca -0.33 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.39 3iwk h LYS 44 Cb 1.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3iwk h LYS 44 CO 0.53 -0.00 -0.39 1.05 -3.45 0.00 0.00 179.45 177.19 3iwk h GLU 45 N -0.00 0.00 -0.57 1.90 4.11 -1.99 -1.25 114.58 116.78 3iwk h GLU 45 Ca 0.44 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.79 3iwk h GLU 45 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3iwk h GLU 45 CO -0.98 0.39 0.08 -0.44 0.07 0.00 0.00 179.01 178.13 3iwk h ASP 46 N 0.00 0.92 -0.70 3.06 3.45 -1.62 -2.85 116.42 118.67 3iwk h ASP 46 Ca -0.00 -0.27 -0.05 0.00 0.43 0.00 0.00 57.03 57.14 3iwk h ASP 46 Cb 1.23 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 39.72 3iwk h ASP 46 CO 0.05 0.95 0.24 0.58 -1.57 0.00 0.00 179.24 179.49 3iwk h VAL 47 N 0.85 1.25 -0.97 -1.35 2.07 -1.04 -2.76 116.25 114.31 3iwk h VAL 47 Ca 0.17 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.92 3iwk h VAL 47 Cb 0.43 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 3iwk h VAL 47 CO 0.01 0.33 0.61 0.44 0.02 0.00 0.00 177.57 178.99 3iwk h ASP 48 N 1.02 0.96 -0.49 0.57 5.19 -1.16 -1.40 116.42 121.11 3iwk h ASP 48 Ca 0.23 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.58 3iwk h ASP 48 Cb 0.27 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3iwk h ASP 48 CO -0.01 0.59 0.00 -0.07 -3.12 0.00 0.00 179.24 176.63 3iwk h LEU 49 N 1.08 0.84 -0.20 1.55 4.07 -1.33 -2.24 115.31 119.09 3iwk h LEU 49 Ca 0.43 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 58.11 3iwk h LEU 49 Cb 0.24 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3iwk h LEU 49 CO -0.19 0.94 0.06 0.00 -1.08 0.00 0.00 178.44 178.17 3iwk h ALA 50 N 0.93 0.21 -0.51 1.53 0.00 -1.11 -1.75 119.26 118.57 3iwk h ALA 50 Ca 0.14 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 50 Cb 0.51 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iwk h ALA 50 CO 0.02 -0.37 0.03 0.28 0.00 0.00 0.00 179.25 179.22 3iwk h VAL 51 N 0.15 1.26 -0.69 0.00 2.07 -1.23 -1.57 116.25 116.23 3iwk h VAL 51 Ca 0.09 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.62 3iwk h VAL 51 Cb 0.07 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3iwk h VAL 51 CO -0.10 0.36 0.42 0.44 0.02 0.00 0.00 177.57 178.71 3iwk h ASP 52 N 0.74 0.66 -0.79 0.57 3.32 -1.34 0.17 116.42 119.75 3iwk h ASP 52 Ca 0.15 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3iwk h ASP 52 Cb 0.47 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3iwk h ASP 52 CO 0.02 0.45 0.33 0.00 -1.72 0.00 0.00 179.24 178.31 3iwk h ALA 53 N 1.32 1.03 -0.22 3.45 0.00 -0.99 0.11 119.26 123.95 3iwk h ALA 53 Ca 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 53 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iwk h ALA 53 CO -0.14 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.77 3iwk h ALA 54 N 1.17 0.30 -0.79 0.00 0.00 -0.93 0.07 119.26 119.07 3iwk h ALA 54 Ca 0.26 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 54 Cb 0.20 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3iwk h ALA 54 CO -0.02 0.01 0.47 0.87 0.00 0.00 0.00 179.25 180.57 3iwk h LYS 55 N 0.16 0.80 -0.23 0.00 1.79 -0.42 -2.40 116.57 116.26 3iwk h LYS 55 Ca 0.06 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 3iwk h LYS 55 Cb 0.38 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3iwk h LYS 55 CO 0.01 0.53 -0.33 0.00 -1.08 0.00 0.00 179.45 178.58 3iwk h ARG 56 N 0.83 0.48 -0.02 3.15 3.08 -0.64 -2.22 114.38 119.04 3iwk h ARG 56 Ca 0.36 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3iwk h ARG 56 Cb 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3iwk h ARG 56 CO -0.20 0.76 -0.03 0.00 -1.07 0.00 0.00 179.97 179.43 3iwk h ALA 57 N 1.23 1.93 -0.02 0.04 0.00 -0.46 -3.02 119.26 118.97 3iwk h ALA 57 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwk h ALA 57 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3iwk h ALA 57 CO 0.06 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.81 3iwk n ILE 58 N -4.50 0.01 -2.55 0.00 -5.35 -1.15 -2.90 119.36 102.92 3iwk n ILE 58 Ca -0.03 -0.50 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 3iwk n ILE 58 Cb 0.12 1.22 -0.04 0.00 -1.74 0.00 0.00 39.64 39.20 3iwk n ILE 58 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3iwk s SER 59 N -0.89 7.30 0.16 7.28 1.04 -0.85 -4.67 113.70 123.06 3iwk s SER 59 Ca 0.13 2.02 -0.14 0.00 0.48 0.00 0.00 55.95 58.43 3iwk s SER 59 Cb 0.09 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.74 3iwk s SER 59 CO 0.13 -0.21 1.11 0.54 0.98 0.00 0.00 173.24 175.80 3iwk n ARG 60 N 2.60 -0.20 0.00 4.02 1.74 -1.26 -0.38 116.66 123.19 3iwk n ARG 60 Ca 0.03 1.10 0.00 0.00 -0.77 0.00 0.00 57.85 58.22 3iwk n ARG 60 Cb 0.47 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3iwk n ARG 60 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3iwk n LYS 61 N -5.03 0.62 -3.28 5.56 2.85 -1.26 -4.61 118.16 113.01 3iwk n LYS 61 Ca 0.06 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.94 3iwk n LYS 61 Cb 0.27 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.49 3iwk n LYS 61 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3iwk s ASN 62 N -1.05 6.68 0.33 -5.58 3.84 0.49 -4.99 114.94 114.67 3iwk s ASN 62 Ca 0.00 0.81 0.08 0.00 0.21 0.00 0.00 52.86 53.96 3iwk s ASN 62 Cb 0.00 -2.30 0.57 0.00 -0.55 0.00 0.00 41.25 38.98 3iwk s ASN 62 CO 0.00 -0.04 1.78 1.23 -2.79 0.00 0.00 177.10 177.28 3iwk h GLY 63 N 6.94 0.25 -4.91 1.21 0.00 -1.87 -2.83 103.07 101.87 3iwk h GLY 63 Ca -0.40 -0.21 -0.76 0.00 0.00 0.00 0.00 47.33 45.97 3iwk h GLY 63 CO 0.75 0.19 0.99 0.54 0.00 0.00 0.00 176.54 179.01 3iwk n ARG 64 N -4.11 2.77 -1.54 4.80 1.74 -1.26 -5.01 116.66 114.06 3iwk n ARG 64 Ca -0.01 -3.54 -0.41 0.00 -0.77 0.00 0.00 57.85 53.12 3iwk n ARG 64 Cb 0.40 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.52 3iwk n ARG 64 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iwk n ASP 65 N -0.57 2.28 -0.18 0.55 4.64 -1.07 -4.85 116.55 117.36 3iwk n ASP 65 Ca 0.54 -0.09 -0.05 0.00 -1.38 0.00 0.00 54.79 53.80 3iwk n ASP 65 Cb 0.28 -1.45 0.11 0.00 -1.04 0.00 0.00 41.12 39.03 3iwk n ASP 65 CO 0.00 0.00 0.00 -0.25 -0.82 0.00 0.00 177.20 176.13 3iwk h TRP 66 N 16.36 1.01 0.00 -0.67 2.91 -1.84 -1.57 115.95 132.16 3iwk h TRP 66 Ca -0.27 -0.12 -0.11 0.00 1.13 0.00 0.00 58.89 59.52 3iwk h TRP 66 Cb 1.28 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.63 3iwk h TRP 66 CO 0.97 0.86 -0.54 0.66 -1.03 0.00 0.00 178.44 179.36 3iwk h SER 67 N 0.91 0.00 0.20 2.65 4.64 -1.82 -3.09 113.55 117.04 3iwk h SER 67 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3iwk h SER 67 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3iwk h SER 67 CO 0.01 0.54 -0.32 0.00 -0.87 0.00 0.00 176.83 176.19 3iwk n ALA 68 N -2.35 3.21 -1.41 5.18 0.00 -1.02 -4.88 120.51 119.24 3iwk n ALA 68 Ca -0.01 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 3iwk n ALA 68 Cb 0.60 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 19.05 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk s ALA 69 N -2.52 2.35 0.56 0.00 0.00 -0.62 -5.02 121.76 116.52 3iwk s ALA 69 Ca 0.23 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 3iwk s ALA 69 Cb 0.19 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 3iwk s ALA 69 CO 0.54 -1.50 1.10 -1.54 0.00 0.00 0.00 175.76 174.35 3iwk s SER 70 N -2.77 5.74 0.33 0.00 1.04 -1.26 -4.95 113.70 111.83 3iwk s SER 70 Ca 0.66 2.04 0.01 0.00 0.48 0.00 0.00 55.95 59.14 3iwk s SER 70 Cb -0.20 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 63.92 3iwk s SER 70 CO 0.46 -1.20 1.96 1.23 0.98 0.00 0.00 173.24 176.67 3iwk h GLY 71 N 0.92 0.91 1.80 7.32 0.00 -1.92 -2.56 103.07 109.54 3iwk h GLY 71 Ca -0.49 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.38 3iwk h GLY 71 CO 0.57 0.37 -0.28 1.48 0.00 0.00 0.00 176.54 178.68 3iwk h SER 72 N 0.86 0.23 -0.21 0.19 4.64 -1.84 0.86 113.55 118.28 3iwk h SER 72 Ca 0.22 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3iwk h SER 72 Cb -0.01 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 3iwk h SER 72 CO -0.04 0.51 0.06 0.25 -0.87 0.00 0.00 176.83 176.74 3iwk h LEU 73 N 0.21 0.31 -1.15 5.97 5.85 -1.85 -1.56 115.31 123.10 3iwk h LEU 73 Ca 0.03 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3iwk h LEU 73 Cb 0.61 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3iwk h LEU 73 CO 0.04 0.45 0.26 0.03 -0.34 0.00 0.00 178.44 178.88 3iwk h ARG 74 N 0.16 0.86 -1.00 1.25 3.08 -1.32 -2.56 114.38 114.84 3iwk h ARG 74 Ca 0.07 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3iwk h ARG 74 Cb 0.25 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3iwk h ARG 74 CO -0.00 0.69 0.66 0.00 -1.07 0.00 0.00 179.97 180.25 3iwk h ALA 75 N 1.43 1.33 -0.71 0.04 0.00 -0.57 -1.31 119.26 119.47 3iwk h ALA 75 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3iwk h ALA 75 Cb 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3iwk h ALA 75 CO -0.02 0.58 0.38 0.00 0.00 0.00 0.00 179.25 180.19 3iwk h ARG 76 N 1.29 0.99 -0.24 0.00 3.08 -0.87 0.12 114.38 118.75 3iwk h ARG 76 Ca 0.39 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 3iwk h ARG 76 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3iwk h ARG 76 CO -0.12 0.74 -0.09 1.88 -1.07 0.00 0.00 179.97 181.31 3iwk h TYR 77 N 1.00 0.56 -0.26 3.04 0.05 -1.30 -2.06 116.97 117.99 3iwk h TYR 77 Ca 0.25 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.91 3iwk h TYR 77 Cb 0.04 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 3iwk h TYR 77 CO 0.01 0.74 0.15 -0.07 -1.05 0.00 0.00 178.16 177.94 3iwk h LEU 78 N 0.21 0.25 -1.03 3.88 3.38 -0.86 0.11 115.31 121.24 3iwk h LEU 78 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iwk h LEU 78 Cb 0.58 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3iwk h LEU 78 CO 0.03 0.18 0.53 0.03 0.09 0.00 0.00 178.44 179.30 3iwk h ARG 79 N 0.31 1.19 -0.43 1.13 3.08 -0.80 -0.05 114.38 118.82 3iwk h ARG 79 Ca 0.10 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3iwk h ARG 79 Cb -0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3iwk h ARG 79 CO -0.04 0.84 -0.08 0.00 -1.07 0.00 0.00 179.97 179.62 3iwk h ALA 80 N 1.37 0.59 -0.44 0.04 0.00 -1.00 -1.14 119.26 118.68 3iwk h ALA 80 Ca 0.32 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 80 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3iwk h ALA 80 CO -0.06 0.45 0.22 0.82 0.00 0.00 0.00 179.25 180.68 3iwk h ILE 81 N 0.64 0.96 -0.21 0.00 2.04 -0.40 -2.22 117.51 118.33 3iwk h ILE 81 Ca 0.11 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3iwk h ILE 81 Cb 0.60 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3iwk h ILE 81 CO 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 178.15 178.25 3iwk h ALA 82 N 1.24 0.17 -0.80 1.87 0.00 -0.81 -2.11 119.26 118.82 3iwk h ALA 82 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 82 Cb 0.10 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3iwk h ALA 82 CO -0.14 -0.44 0.37 0.00 0.00 0.00 0.00 179.25 179.04 3iwk h ALA 83 N 1.19 1.04 -0.35 0.00 0.00 -1.02 0.47 119.26 120.58 3iwk h ALA 83 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3iwk h ALA 83 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3iwk h ALA 83 CO -0.18 0.61 -0.06 -0.22 0.00 0.00 0.00 179.25 179.40 3iwk h LYS 84 N 1.14 0.58 -0.24 0.00 1.63 -1.30 -1.67 116.57 116.70 3iwk h LYS 84 Ca 0.27 -0.15 -0.14 0.00 -0.85 0.00 0.00 60.65 59.79 3iwk h LYS 84 Cb 0.14 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3iwk h LYS 84 CO -0.03 0.65 -0.38 0.82 -3.45 0.00 0.00 179.45 177.06 3iwk h ILE 85 N 0.54 1.31 -1.00 2.00 2.04 -0.75 -2.99 117.51 118.66 3iwk h ILE 85 Ca 0.11 -1.58 0.10 0.00 1.00 0.00 0.00 64.86 64.48 3iwk h ILE 85 Cb 0.44 1.74 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 3iwk h ILE 85 CO 0.02 0.50 0.64 0.50 0.00 0.00 0.00 178.15 179.81 3iwk h LYS 86 N 0.40 1.03 -0.69 2.37 3.64 -0.67 -1.10 116.57 121.55 3iwk h LYS 86 Ca 0.02 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3iwk h LYS 86 Cb 0.97 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3iwk h LYS 86 CO 0.09 0.68 0.45 0.93 -2.27 0.00 0.00 179.45 179.33 3iwk h GLU 87 N 1.06 0.89 -0.33 1.90 5.08 -1.24 -3.02 114.58 118.92 3iwk h GLU 87 Ca 0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3iwk h GLU 87 Cb 0.36 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3iwk h GLU 87 CO -0.22 0.59 0.00 1.63 -1.00 0.00 0.00 179.01 180.01 3iwk n LYS 88 N -4.62 2.08 -0.26 2.33 5.02 -0.74 -4.65 118.16 117.32 3iwk n LYS 88 Ca 0.06 -1.64 -0.05 0.00 -2.02 0.00 0.00 58.31 54.66 3iwk n LYS 88 Cb 0.03 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 3iwk n LYS 88 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3iwk n LYS 89 N 0.85 -0.24 -0.06 1.97 4.81 -0.49 -0.68 118.16 124.31 3iwk n LYS 89 Ca 0.17 0.97 -0.05 0.00 -0.87 0.00 0.00 58.31 58.53 3iwk n LYS 89 Cb 0.43 -1.43 0.14 0.00 0.02 0.00 0.00 35.03 34.19 3iwk n LYS 89 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3iwk h ASP 90 N 0.00 0.69 0.45 3.14 5.19 -1.86 -1.12 116.42 122.90 3iwk h ASP 90 Ca 0.14 -0.22 -0.28 0.00 -0.62 0.00 0.00 57.03 56.05 3iwk h ASP 90 Cb 0.30 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.64 3iwk h ASP 90 CO -0.61 0.86 -1.22 -0.08 -3.12 0.00 0.00 179.24 175.07 3iwk h GLU 91 N 0.61 0.39 -0.46 3.56 4.57 -1.43 -2.89 114.58 118.93 3iwk h GLU 91 Ca 0.10 -0.58 -0.14 0.00 -1.18 0.00 0.00 59.36 57.56 3iwk h GLU 91 Cb 0.64 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3iwk h GLU 91 CO 0.04 1.25 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.80 3iwk h LEU 92 N 0.14 1.01 -1.05 1.64 3.38 -0.81 -2.14 115.31 117.48 3iwk h LEU 92 Ca -0.15 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.43 3iwk h LEU 92 Cb 1.92 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 3iwk h LEU 92 CO 0.21 1.20 0.62 1.23 0.09 0.00 0.00 178.44 181.78 3iwk h GLY 93 N 0.86 1.34 1.04 0.83 0.00 -1.28 0.51 103.07 106.36 3iwk h GLY 93 Ca 0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3iwk h GLY 93 CO 0.07 0.50 -0.06 1.70 0.00 0.00 0.00 176.54 178.75 3iwk h LYS 94 N 1.29 0.93 -0.65 4.80 3.64 -1.36 -1.71 116.57 123.51 3iwk h LYS 94 Ca 0.34 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 3iwk h LYS 94 Cb -0.13 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3iwk h LYS 94 CO -0.07 0.98 0.07 -0.07 -2.27 0.00 0.00 179.45 178.08 3iwk h LEU 95 N 0.78 1.06 -0.20 5.20 3.38 -1.02 -2.46 115.31 122.05 3iwk h LEU 95 Ca 0.13 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3iwk h LEU 95 Cb 0.60 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3iwk h LEU 95 CO 0.04 1.07 0.03 -0.08 0.09 0.00 0.00 178.44 179.59 3iwk h GLU 96 N 1.01 0.10 -0.18 1.13 4.57 -0.69 -0.39 114.58 120.15 3iwk h GLU 96 Ca 0.19 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 3iwk h GLU 96 Cb 0.49 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3iwk h GLU 96 CO 0.02 0.07 0.08 0.77 -1.18 0.00 0.00 179.01 178.77 3iwk h SER 97 N 0.11 0.12 -0.87 1.04 0.02 -1.21 -1.58 113.55 111.17 3iwk h SER 97 Ca 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3iwk h SER 97 Cb 0.10 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 3iwk h SER 97 CO -0.13 0.09 0.54 0.40 -1.14 0.00 0.00 176.83 176.59 3iwk h ILE 98 N 0.18 1.24 0.03 3.27 2.04 -1.31 -0.45 117.51 122.50 3iwk h ILE 98 Ca 0.07 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3iwk h ILE 98 Cb 0.02 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 3iwk h ILE 98 CO -0.06 0.24 -0.01 -0.78 0.00 0.00 0.00 178.15 177.54 3iwk h ASP 99 N 1.19 -0.03 0.00 1.72 3.58 -0.64 -3.40 116.42 118.85 3iwk h ASP 99 Ca 0.31 -0.53 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 3iwk h ASP 99 Cb -0.07 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 3iwk h ASP 99 CO -0.06 0.52 -1.61 0.00 -2.88 0.00 0.00 179.24 175.21 3iwk n GLY 101 N 1.82 0.58 3.78 0.00 0.00 -0.18 -4.11 105.19 107.09 3iwk n GLY 101 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3iwk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwk s LYS 102 N -0.89 3.81 0.61 1.61 -2.85 -1.25 -3.58 119.74 117.20 3iwk s LYS 102 Ca 0.00 1.57 -0.18 0.00 -1.00 0.00 0.00 55.97 56.36 3iwk s LYS 102 Cb 0.00 -2.29 -0.05 0.00 -2.06 0.00 0.00 37.83 33.43 3iwk s LYS 102 CO 0.00 -0.46 0.93 -2.30 0.10 0.00 0.00 175.35 173.62 3iwk n PRO 103 N -0.64 0.84 -0.25 1.78 -0.02 -1.26 -4.45 135.00 131.00 3iwk n PRO 103 Ca 0.08 0.33 -0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3iwk n PRO 103 Cb 0.50 -2.13 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 3iwk n PRO 103 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwk h LEU 104 N 0.42 0.59 -1.46 2.45 5.85 -1.23 -1.86 115.31 120.07 3iwk h LEU 104 Ca -0.48 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 3iwk h LEU 104 Cb 1.37 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3iwk h LEU 104 CO 0.50 0.37 0.04 -0.33 -0.34 0.00 0.00 178.44 178.68 3iwk h GLU 105 N 0.72 0.39 -0.20 1.25 5.08 -1.88 0.85 114.58 120.78 3iwk h GLU 105 Ca 0.33 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 3iwk h GLU 105 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3iwk h GLU 105 CO -0.20 0.39 -0.03 0.93 -1.00 0.00 0.00 179.01 179.10 3iwk h GLU 106 N 0.38 0.38 -0.69 2.33 5.08 -1.72 -2.40 114.58 117.94 3iwk h GLU 106 Ca 0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3iwk h GLU 106 Cb 0.19 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3iwk h GLU 106 CO 0.00 0.61 0.31 0.00 -1.00 0.00 0.00 179.01 178.93 3iwk h ALA 107 N 0.76 0.89 -0.44 3.43 0.00 -0.73 -0.82 119.26 122.36 3iwk h ALA 107 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 107 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3iwk h ALA 107 CO 0.02 0.48 -0.03 -0.07 0.00 0.00 0.00 179.25 179.64 3iwk h LEU 108 N 0.97 0.70 -0.57 0.00 3.38 -0.88 -1.41 115.31 117.50 3iwk h LEU 108 Ca 0.23 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3iwk h LEU 108 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3iwk h LEU 108 CO -0.03 0.79 0.12 0.00 0.09 0.00 0.00 178.44 179.42 3iwk h ALA 109 N 1.28 0.76 -0.88 1.53 0.00 -1.11 -2.56 119.26 118.29 3iwk h ALA 109 Ca 0.13 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 109 Cb 0.47 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 109 CO 0.02 0.48 0.57 -0.44 0.00 0.00 0.00 179.25 179.88 3iwk h ASP 110 N 0.83 0.95 -0.89 0.00 3.45 -0.63 -1.91 116.42 118.23 3iwk h ASP 110 Ca 0.18 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3iwk h ASP 110 Cb 0.37 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.88 3iwk h ASP 110 CO 0.00 0.66 0.57 -0.07 -1.57 0.00 0.00 179.24 178.83 3iwk h LEU 111 N 1.12 1.03 -0.99 1.55 -0.00 -1.10 0.87 115.31 117.80 3iwk h LEU 111 Ca 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 3iwk h LEU 111 Cb -0.01 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.34 3iwk h LEU 111 CO -0.11 0.77 0.60 0.44 -0.00 0.00 0.00 178.44 180.14 3iwk h ASP 112 N 1.21 1.14 -0.35 -0.43 3.45 -1.01 -1.76 116.42 118.67 3iwk h ASP 112 Ca 0.32 -0.05 -0.15 0.00 0.43 0.00 0.00 57.03 57.58 3iwk h ASP 112 Cb -0.11 -0.29 -0.01 0.00 -0.56 0.00 0.00 39.33 38.37 3iwk h ASP 112 CO -0.07 0.85 -0.34 0.44 -1.57 0.00 0.00 179.24 178.56 3iwk h ASP 113 N 1.32 0.94 -0.13 6.45 3.45 -0.57 -1.26 116.42 126.61 3iwk h ASP 113 Ca 0.35 -0.40 0.04 0.00 0.43 0.00 0.00 57.03 57.44 3iwk h ASP 113 Cb -0.09 -0.26 -0.05 0.00 -0.56 0.00 0.00 39.33 38.37 3iwk h ASP 113 CO -0.07 1.18 -0.15 0.58 -1.57 0.00 0.00 179.24 179.22 3iwk h VAL 114 N 0.74 0.60 -0.18 -1.35 2.07 -0.58 0.25 116.25 117.81 3iwk h VAL 114 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3iwk h VAL 114 Cb 0.91 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3iwk h VAL 114 CO 0.08 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 178.17 3iwk h VAL 115 N -0.18 0.72 -0.58 2.57 2.07 -1.17 -1.96 116.25 117.72 3iwk h VAL 115 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3iwk h VAL 115 Cb 0.32 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3iwk h VAL 115 CO -0.24 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.60 3iwk h ALA 116 N 1.08 1.34 -0.26 1.67 0.00 -0.94 -2.06 119.26 120.10 3iwk h ALA 116 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 116 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iwk h ALA 116 CO -0.22 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.63 3iwk h PHE 118 N 0.26 0.79 -0.45 0.00 0.04 -1.24 -2.03 116.94 114.31 3iwk h PHE 118 Ca 0.09 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3iwk h PHE 118 Cb 0.18 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3iwk h PHE 118 CO -0.01 0.69 0.29 0.93 -0.60 0.00 0.00 178.31 179.61 3iwk h GLU 119 N 0.65 0.60 -0.08 1.51 5.08 -1.19 0.16 114.58 121.31 3iwk h GLU 119 Ca 0.16 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3iwk h GLU 119 Cb 0.27 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3iwk h GLU 119 CO -0.00 0.41 0.03 -0.92 -1.00 0.00 0.00 179.01 177.52 3iwk h TYR 120 N 0.61 0.05 0.00 4.33 3.20 -0.40 -1.26 116.97 123.50 3iwk h TYR 120 Ca 0.16 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 3iwk h TYR 120 Cb -0.05 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3iwk h TYR 120 CO -0.04 0.03 -0.57 1.88 -1.64 0.00 0.00 178.16 177.81 3iwk h TYR 121 N 0.07 0.00 -0.41 -3.82 -1.99 -1.23 -1.39 116.97 108.20 3iwk h TYR 121 Ca 0.03 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.83 3iwk h TYR 121 Cb 0.01 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.68 3iwk h TYR 121 CO -0.09 0.57 0.04 0.00 -0.00 0.00 0.00 178.16 178.68 3iwk h ALA 122 N 1.43 0.41 -0.18 3.88 0.00 -0.50 0.32 119.26 124.61 3iwk h ALA 122 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iwk h ALA 122 Cb 1.12 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3iwk h ALA 122 CO 0.07 -0.36 0.03 0.78 0.00 0.00 0.00 179.25 179.77 3iwk h GLY 123 N 0.15 0.20 1.26 0.00 0.00 -0.46 -1.67 103.07 102.54 3iwk h GLY 123 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3iwk h GLY 123 CO -0.30 -0.01 0.38 1.41 0.00 0.00 0.00 176.54 178.02 3iwk h LEU 124 N 0.10 0.87 -0.55 3.11 4.07 -0.96 -2.13 115.31 119.82 3iwk h LEU 124 Ca 0.08 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.00 3iwk h LEU 124 Cb 0.08 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 3iwk h LEU 124 CO -0.12 0.71 0.33 0.00 -1.08 0.00 0.00 178.44 178.28 3iwk h ALA 125 N 1.43 0.71 -0.96 1.53 0.00 0.03 -1.34 119.26 120.67 3iwk h ALA 125 Ca 0.25 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3iwk h ALA 125 Cb 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3iwk h ALA 125 CO -0.04 0.03 0.63 0.93 0.00 0.00 0.00 179.25 180.80 3iwk h GLU 126 N 0.64 1.20 0.00 0.00 5.08 -0.80 -2.85 114.58 117.85 3iwk h GLU 126 Ca 0.23 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3iwk h GLU 126 Cb 0.05 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3iwk h GLU 126 CO -0.11 0.79 -0.37 0.93 -1.00 0.00 0.00 179.01 179.25 3iwk h GLU 127 N 1.23 0.00 -0.75 2.33 5.08 -0.99 -3.33 114.58 118.15 3iwk h GLU 127 Ca 0.38 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.79 3iwk h GLU 127 Cb -0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3iwk h GLU 127 CO -0.11 0.37 0.50 1.25 -1.00 0.00 0.00 179.01 180.01 3iwk h LEU 128 N 0.00 0.74 -1.02 1.33 5.85 -1.00 -1.81 115.31 119.39 3iwk h LEU 128 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3iwk h LEU 128 Cb 1.08 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3iwk h LEU 128 CO 0.05 0.49 0.53 0.44 -0.34 0.00 0.00 178.44 179.60 3iwk h ASP 129 N 0.84 1.06 0.29 1.25 3.32 -1.71 -2.07 116.42 119.41 3iwk h ASP 129 Ca 0.32 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3iwk h ASP 129 Cb 0.18 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3iwk h ASP 129 CO -0.10 0.82 -0.29 0.28 -1.72 0.00 0.00 179.24 178.22 3iwk h SER 130 N 1.22 0.00 1.66 6.45 0.02 -1.56 -3.12 113.55 118.23 3iwk h SER 130 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3iwk h SER 130 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3iwk h SER 130 CO -0.06 0.29 -0.01 0.11 -1.14 0.00 0.00 176.83 176.03 3iwk h LYS 131 N 0.00 0.00 -7.00 3.45 1.57 -1.17 -3.47 116.57 109.95 3iwk h LYS 131 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3iwk h LYS 131 Cb 0.52 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.91 3iwk h LYS 131 CO 0.04 0.00 0.52 -0.65 -0.57 0.00 0.00 179.45 178.78 3iwk s GLN 132 N -3.14 3.67 -1.12 3.15 -1.52 -1.07 -3.24 119.66 116.39 3iwk s GLN 132 Ca 0.09 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.39 3iwk s GLN 132 Cb 0.10 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.47 3iwk s GLN 132 CO 0.63 -0.65 0.00 1.63 -0.25 0.00 0.00 175.29 176.64 3iwk n LYS 133 N -0.52 -0.95 -1.71 2.91 5.02 -0.85 -4.97 118.16 117.09 3iwk n LYS 133 Ca 0.07 0.69 -0.42 0.00 -2.02 0.00 0.00 58.31 56.63 3iwk n LYS 133 Cb 0.47 -4.83 -0.03 0.00 -0.02 0.00 0.00 35.03 30.63 3iwk n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwk s ALA 134 N -2.57 3.60 0.50 7.82 0.00 -1.20 -4.67 121.76 125.24 3iwk s ALA 134 Ca 0.00 1.30 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 3iwk s ALA 134 Cb 0.00 -3.83 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 3iwk s ALA 134 CO 0.00 -1.52 1.08 -1.25 0.00 0.00 0.00 175.76 174.07 3iwk s PRO 135 N 4.24 3.65 -0.16 0.00 0.04 -1.26 -2.10 135.00 139.40 3iwk s PRO 135 Ca 0.86 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 3iwk s PRO 135 Cb -0.42 -2.11 -0.00 0.00 0.04 0.00 0.00 34.50 32.01 3iwk s PRO 135 CO 0.40 -0.58 -0.13 0.42 0.04 0.00 0.00 177.00 177.15 3iwk s ILE 136 N -1.85 2.85 0.10 0.56 -1.09 0.22 -4.93 121.20 117.06 3iwk s ILE 136 Ca 0.69 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 58.10 3iwk s ILE 136 Cb -0.20 -2.22 -0.06 0.00 -1.58 0.00 0.00 42.46 38.39 3iwk s ILE 136 CO 0.24 0.50 1.20 -0.44 -1.23 0.00 0.00 174.94 175.21 3iwk s SER 137 N 0.88 7.08 0.19 3.58 0.01 -1.26 -4.29 113.70 119.89 3iwk s SER 137 Ca -0.03 2.09 0.11 0.00 1.31 0.00 0.00 55.95 59.42 3iwk s SER 137 Cb -0.15 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 3iwk s SER 137 CO -0.01 -0.44 -0.22 -0.76 0.41 0.00 0.00 173.24 172.22 3iwk s LEU 138 N 0.68 2.50 0.29 2.44 1.02 -1.26 -5.04 118.68 119.30 3iwk s LEU 138 Ca 0.57 -0.83 0.26 0.00 0.02 0.00 0.00 54.13 54.15 3iwk s LEU 138 Cb -0.31 -1.23 0.87 0.00 0.02 0.00 0.00 46.19 45.54 3iwk s LEU 138 CO 0.31 0.12 1.76 1.55 0.02 0.00 0.00 176.35 180.11 3iwk h PRO 139 N 3.18 0.00 -6.22 1.29 0.13 -1.96 -3.44 132.00 124.97 3iwk h PRO 139 Ca -0.46 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 3iwk h PRO 139 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 3iwk h PRO 139 CO 0.48 0.00 -0.62 -1.64 -0.23 0.00 0.00 178.00 176.00 3iwk s MET 140 N -3.25 2.80 0.08 0.86 -1.94 -1.26 -5.01 119.30 111.58 3iwk s MET 140 Ca 0.07 -0.72 0.24 0.00 -1.71 0.00 0.00 55.69 53.56 3iwk s MET 140 Cb 0.10 -2.68 0.26 0.00 2.01 0.00 0.00 34.83 34.52 3iwk s MET 140 CO 0.53 0.56 1.23 -0.40 -0.01 0.00 0.00 175.02 176.93 3iwk n ASP 141 N 0.50 0.64 0.00 3.03 3.85 -1.26 -4.06 116.55 119.25 3iwk n ASP 141 Ca -0.09 -0.05 0.12 0.00 -0.71 0.00 0.00 54.79 54.06 3iwk n ASP 141 Cb 0.52 0.39 0.57 0.00 -1.35 0.00 0.00 41.12 41.25 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3iwk n THR 142 N -1.98 0.28 -4.16 2.12 -2.24 -1.26 -4.78 114.28 102.27 3iwk n THR 142 Ca 0.03 0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.72 3iwk n THR 142 Cb 0.42 -0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 3iwk n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iwk s PHE 143 N -2.74 0.96 0.12 4.78 0.40 -1.26 -1.53 117.98 118.71 3iwk s PHE 143 Ca 0.18 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 3iwk s PHE 143 Cb 0.16 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 43.10 3iwk s PHE 143 CO 0.40 -0.01 -0.20 0.21 0.70 0.00 0.00 175.22 176.32 3iwk s LYS 144 N -1.45 1.19 -0.17 0.44 2.20 0.34 -4.88 119.74 117.41 3iwk s LYS 144 Ca -0.04 -1.25 -0.13 0.00 -0.36 0.00 0.00 55.97 54.19 3iwk s LYS 144 Cb -0.09 -1.40 0.05 0.00 -1.51 0.00 0.00 37.83 34.88 3iwk s LYS 144 CO 0.01 0.31 0.43 0.45 -0.36 0.00 0.00 175.35 176.20 3iwk s SER 145 N -2.15 -0.48 0.32 1.43 0.15 -1.26 -0.07 113.70 111.63 3iwk s SER 145 Ca 0.10 0.89 0.04 0.00 0.70 0.00 0.00 55.95 57.68 3iwk s SER 145 Cb -0.09 0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 65.07 3iwk s SER 145 CO 0.05 -0.17 0.34 0.00 1.20 0.00 0.00 173.24 174.67 3iwk n TYR 146 N 3.32 -1.00 -4.36 3.44 0.18 -0.48 -0.61 117.16 117.65 3iwk n TYR 146 Ca -0.17 -2.50 -0.21 0.00 1.88 0.00 0.00 57.90 56.91 3iwk n TYR 146 Cb 0.56 0.37 -0.13 0.00 -0.38 0.00 0.00 39.34 39.76 3iwk n TYR 146 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 3iwk s ILE 147 N -3.10 1.26 0.03 -3.48 -5.25 -0.89 -0.97 121.20 108.79 3iwk s ILE 147 Ca 0.34 -1.14 0.05 0.00 -0.99 0.00 0.00 60.65 58.91 3iwk s ILE 147 Cb 0.01 -1.14 -0.03 0.00 2.95 0.00 0.00 42.46 44.24 3iwk s ILE 147 CO 0.24 -0.01 -0.11 -0.76 -1.79 0.00 0.00 174.94 172.50 3iwk s LEU 148 N -1.33 2.93 -0.42 0.37 1.43 0.00 -2.02 118.68 119.65 3iwk s LEU 148 Ca 0.02 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 3iwk s LEU 148 Cb -0.09 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.53 3iwk s LEU 148 CO 0.02 0.26 0.24 -0.54 0.23 0.00 0.00 176.35 176.56 3iwk s LYS 149 N -1.50 2.35 0.04 1.70 1.02 -1.26 -1.21 119.74 120.88 3iwk s LYS 149 Ca 0.17 -1.64 0.02 0.00 0.02 0.00 0.00 55.97 54.54 3iwk s LYS 149 Cb -0.11 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3iwk s LYS 149 CO 0.07 -1.02 0.03 -1.21 -0.92 0.00 0.00 175.35 172.30 3iwk s GLU 150 N 1.30 2.79 0.58 1.68 2.02 -0.82 -4.91 118.70 121.34 3iwk s GLU 150 Ca 0.05 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.17 3iwk s GLU 150 Cb -0.23 -2.68 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3iwk s GLU 150 CO -0.01 0.59 1.35 -1.25 0.02 0.00 0.00 175.26 175.96 3iwk s PRO 151 N -1.95 2.95 0.39 0.39 0.04 -1.25 -0.06 135.00 135.51 3iwk s PRO 151 Ca 0.24 2.20 0.20 0.00 0.04 0.00 0.00 61.00 63.68 3iwk s PRO 151 Cb -0.12 -2.13 0.72 0.00 0.04 0.00 0.00 34.50 33.01 3iwk s PRO 151 CO 0.15 -1.33 1.74 0.97 0.04 0.00 0.00 177.00 178.58 3iwk h ILE 152 N 1.17 0.76 0.00 0.56 6.09 -1.44 -3.42 117.51 121.23 3iwk h ILE 152 Ca -0.51 -1.42 0.00 0.00 -1.37 0.00 0.00 64.86 61.56 3iwk h ILE 152 Cb 1.31 1.91 0.00 0.00 0.47 0.00 0.00 36.82 40.51 3iwk h ILE 152 CO 0.56 0.32 0.00 0.61 -3.07 0.00 0.00 178.15 176.57 3iwk n GLY 153 N 0.28 0.33 3.71 8.18 0.00 -1.26 -4.84 105.19 111.58 3iwk n GLY 153 Ca 0.00 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3iwk n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwk s VAL 154 N 0.00 5.08 -0.06 1.61 1.01 -1.26 -2.14 120.40 124.64 3iwk s VAL 154 Ca 0.00 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.29 3iwk s VAL 154 Cb 0.00 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3iwk s VAL 154 CO 0.00 0.25 -0.19 0.68 0.00 0.00 0.00 175.10 175.83 3iwk s VAL 155 N 0.95 1.64 -0.21 2.92 -7.23 -0.33 -0.34 120.40 117.81 3iwk s VAL 155 Ca 0.33 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.54 3iwk s VAL 155 Cb -0.17 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3iwk s VAL 155 CO 0.14 0.47 0.33 0.00 -0.31 0.00 0.00 175.10 175.73 3iwk s ALA 156 N 0.19 3.57 -0.25 1.32 0.00 0.11 -0.85 121.76 125.85 3iwk s ALA 156 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3iwk s ALA 156 Cb -0.14 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.48 3iwk s ALA 156 CO 0.04 -0.23 -0.09 -0.51 0.00 0.00 0.00 175.76 174.97 3iwk s LEU 157 N 1.16 3.23 -0.19 0.00 1.02 0.38 -0.36 118.68 123.93 3iwk s LEU 157 Ca 0.16 -1.09 0.01 0.00 0.02 0.00 0.00 54.13 53.24 3iwk s LEU 157 Cb -0.14 -1.60 0.03 0.00 0.02 0.00 0.00 46.19 44.49 3iwk s LEU 157 CO 0.07 -0.15 -0.18 -0.63 0.02 0.00 0.00 176.35 175.48 3iwk s ILE 158 N 1.23 2.02 0.16 -0.59 1.01 -0.40 -0.23 121.20 124.41 3iwk s ILE 158 Ca -0.03 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.69 3iwk s ILE 158 Cb -0.18 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3iwk s ILE 158 CO -0.05 0.45 -0.18 0.42 0.00 0.00 0.00 174.94 175.57 3iwk s THR 159 N 1.28 1.80 0.70 2.92 -4.23 -1.14 -1.73 115.64 115.25 3iwk s THR 159 Ca 0.03 -1.90 -0.05 0.00 -1.18 0.00 0.00 61.69 58.59 3iwk s THR 159 Cb -0.14 -1.83 0.08 0.00 1.34 0.00 0.00 72.50 71.95 3iwk s THR 159 CO -0.12 -0.31 0.99 -2.16 -0.54 0.00 0.00 174.62 172.48 3iwk s PRO 160 N -2.77 2.04 0.00 3.99 0.04 -1.22 -3.09 135.00 133.98 3iwk s PRO 160 Ca 0.15 -0.53 0.25 0.00 0.04 0.00 0.00 61.00 60.92 3iwk s PRO 160 Cb -0.06 -2.23 0.50 0.00 0.04 0.00 0.00 34.50 32.75 3iwk s PRO 160 CO 0.06 -1.27 1.40 -2.67 0.04 0.00 0.00 177.00 174.56 3iwk n TRP 161 N -2.86 0.00 0.08 0.56 4.27 -1.26 -4.10 117.44 114.13 3iwk n TRP 161 Ca 0.10 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.58 3iwk n TRP 161 Cb 0.60 -0.09 -0.07 0.00 -1.36 0.00 0.00 31.31 30.39 3iwk n TRP 161 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3iwk h ASN 162 N 1.44 0.41 -2.24 -0.67 -1.07 -1.96 -3.32 115.58 108.17 3iwk h ASN 162 Ca 0.00 -0.37 -0.59 0.00 0.07 0.00 0.00 56.30 55.42 3iwk h ASN 162 Cb 0.58 -0.13 -0.40 0.00 -2.07 0.00 0.00 38.32 36.29 3iwk h ASN 162 CO 0.00 1.21 -0.83 -1.22 0.07 0.00 0.00 177.43 176.65 3iwk n TYR 163 N -3.64 1.53 -0.04 4.14 4.01 -1.26 -5.00 117.16 116.90 3iwk n TYR 163 Ca -0.06 -3.85 -0.12 0.00 -0.16 0.00 0.00 57.90 53.71 3iwk n TYR 163 Cb 0.89 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 3iwk n TYR 163 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3iwk h PRO 164 N 4.42 -0.44 0.06 -0.72 0.11 -1.71 0.23 132.00 133.95 3iwk h PRO 164 Ca 0.15 0.03 -0.28 0.00 0.11 0.00 0.00 66.00 66.01 3iwk h PRO 164 Cb 0.78 0.10 0.03 0.00 0.11 0.00 0.00 31.00 32.02 3iwk h PRO 164 CO 0.62 -0.29 -1.14 0.35 -0.21 0.00 0.00 178.00 177.33 3iwk h PHE 165 N -0.45 1.04 -0.25 0.65 3.57 -1.90 -3.06 116.94 116.53 3iwk h PHE 165 Ca 0.09 -0.61 -0.10 0.00 3.53 0.00 0.00 57.97 60.88 3iwk h PHE 165 Cb 0.62 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3iwk h PHE 165 CO -0.53 1.45 -0.23 1.25 -2.23 0.00 0.00 178.31 178.02 3iwk h LEU 166 N 0.33 0.63 -0.61 0.59 5.85 -1.80 -1.65 115.31 118.65 3iwk h LEU 166 Ca -0.16 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.09 3iwk h LEU 166 Cb 1.81 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 3iwk h LEU 166 CO 0.22 0.97 0.37 0.24 -0.34 0.00 0.00 178.44 179.90 3iwk h MET 167 N 0.31 0.83 -0.39 1.25 2.86 -0.68 0.21 114.93 119.33 3iwk h MET 167 Ca 0.04 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3iwk h MET 167 Cb 0.78 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.22 3iwk h MET 167 CO 0.06 0.60 0.12 0.00 1.06 0.00 0.00 176.91 178.75 3iwk h ALA 168 N 1.19 0.45 -0.78 6.32 0.00 -1.50 -2.73 119.26 122.21 3iwk h ALA 168 Ca 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3iwk h ALA 168 Cb -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3iwk h ALA 168 CO -0.04 -0.27 0.33 1.15 0.00 0.00 0.00 179.25 180.42 3iwk h THR 169 N 0.28 1.26 -0.70 0.00 2.02 -0.74 0.52 112.91 115.54 3iwk h THR 169 Ca 0.18 -0.79 0.20 0.00 0.77 0.00 0.00 66.41 66.78 3iwk h THR 169 Cb 0.18 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3iwk h THR 169 CO -0.20 0.32 0.54 -0.50 0.37 0.00 0.00 175.52 176.06 3iwk h TRP 170 N 1.12 0.00 0.00 3.16 4.06 -0.29 -2.34 115.95 121.66 3iwk h TRP 170 Ca 0.26 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.87 3iwk h TRP 170 Cb 0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.29 3iwk h TRP 170 CO 0.02 0.00 -2.29 0.36 -3.56 0.00 0.00 178.44 172.97 3iwk n LYS 171 N -4.15 0.58 -0.12 0.49 0.00 -0.78 -4.53 118.16 109.65 3iwk n LYS 171 Ca 0.14 0.13 -0.13 0.00 -0.00 0.00 0.00 58.31 58.45 3iwk n LYS 171 Cb 0.81 -1.45 -0.03 0.00 -0.00 0.00 0.00 35.03 34.36 3iwk n LYS 171 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 3iwk h ILE 172 N 0.00 1.28 -0.06 0.58 3.07 -0.77 -1.72 117.51 119.90 3iwk h ILE 172 Ca -0.51 -1.42 0.01 0.00 1.55 0.00 0.00 64.86 64.50 3iwk h ILE 172 Cb 1.79 1.39 -0.01 0.00 -0.27 0.00 0.00 36.82 39.73 3iwk h ILE 172 CO -0.08 0.47 0.00 0.00 -1.05 0.00 0.00 178.15 177.49 3iwk h ALA 173 N 0.77 0.05 -0.49 0.16 0.00 -1.67 0.24 119.26 118.33 3iwk h ALA 173 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3iwk h ALA 173 Cb 0.83 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3iwk h ALA 173 CO 0.07 -0.47 -0.13 -1.00 0.00 0.00 0.00 179.25 177.71 3iwk h PRO 174 N 0.03 0.93 -0.31 0.00 0.13 -1.77 -1.25 132.00 129.75 3iwk h PRO 174 Ca 0.03 -0.34 0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3iwk h PRO 174 Cb 0.03 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.07 3iwk h PRO 174 CO -0.04 1.00 0.15 0.00 -0.23 0.00 0.00 178.00 178.87 3iwk h ALA 175 N 1.01 0.38 -0.40 -0.56 0.00 -0.77 -0.61 119.26 118.30 3iwk h ALA 175 Ca 0.13 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 175 Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 175 CO 0.05 -0.24 -0.14 -0.07 0.00 0.00 0.00 179.25 178.86 3iwk h LEU 176 N 0.31 0.82 -1.77 0.00 3.38 -0.54 -1.27 115.31 116.24 3iwk h LEU 176 Ca 0.13 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3iwk h LEU 176 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3iwk h LEU 176 CO -0.10 1.01 0.29 0.00 0.09 0.00 0.00 178.44 179.74 3iwk h ALA 177 N 0.83 2.05 0.00 1.53 0.00 -0.86 -1.37 119.26 121.44 3iwk h ALA 177 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 177 Cb 0.68 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iwk h ALA 177 CO 0.05 -0.14 -0.16 0.00 0.00 0.00 0.00 179.25 179.00 3iwk h ALA 178 N 1.78 0.92 0.00 0.00 0.00 -0.91 -3.43 119.26 117.61 3iwk h ALA 178 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 178 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 178 CO -0.04 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3iwk n GLY 179 N 0.91 1.38 3.91 0.00 0.00 -0.52 -3.86 105.19 107.02 3iwk n GLY 179 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -2.41 3.25 0.07 0.00 0.00 -0.91 -4.36 121.76 117.40 3iwk s ALA 181 Ca 0.45 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.68 3iwk s ALA 181 Cb -0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3iwk s ALA 181 CO 0.37 0.55 -0.22 0.00 0.00 0.00 0.00 175.76 176.46 3iwk s ALA 182 N -0.76 2.49 -0.18 0.00 0.00 0.11 -1.18 121.76 122.24 3iwk s ALA 182 Ca 0.12 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3iwk s ALA 182 Cb -0.11 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3iwk s ALA 182 CO 0.02 0.56 -0.19 0.42 0.00 0.00 0.00 175.76 176.57 3iwk s ILE 183 N -0.95 1.98 -0.18 0.00 1.09 -0.03 -1.22 121.20 121.89 3iwk s ILE 183 Ca 0.14 -0.90 -0.09 0.00 -1.10 0.00 0.00 60.65 58.71 3iwk s ILE 183 Cb -0.10 -1.80 -0.05 0.00 -1.06 0.00 0.00 42.46 39.45 3iwk s ILE 183 CO 0.05 0.52 0.12 -0.22 -0.10 0.00 0.00 174.94 175.31 3iwk s LEU 184 N 1.32 4.17 -0.53 2.97 2.96 0.87 -0.47 118.68 129.97 3iwk s LEU 184 Ca 0.05 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 3iwk s LEU 184 Cb -0.13 -2.06 0.14 0.00 0.50 0.00 0.00 46.19 44.64 3iwk s LEU 184 CO -0.13 0.23 0.30 -0.75 -1.32 0.00 0.00 176.35 174.69 3iwk s LYS 185 N 0.04 1.87 0.95 1.98 2.36 0.68 -0.55 119.74 127.07 3iwk s LYS 185 Ca 0.09 -2.61 -0.12 0.00 -2.55 0.00 0.00 55.97 50.78 3iwk s LYS 185 Cb -0.11 -3.04 0.16 0.00 -1.05 0.00 0.00 37.83 33.79 3iwk s LYS 185 CO -0.00 -1.17 1.10 -1.25 1.55 0.00 0.00 175.35 175.58 3iwk s PRO 186 N -0.36 0.84 0.19 4.03 0.04 -1.26 -2.88 135.00 135.60 3iwk s PRO 186 Ca 0.19 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 3iwk s PRO 186 Cb -0.20 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 3iwk s PRO 186 CO -0.04 -2.46 1.16 0.45 0.04 0.00 0.00 177.00 176.14 3iwk s SER 187 N -3.57 7.16 0.32 6.66 0.15 -1.18 -4.58 113.70 118.67 3iwk s SER 187 Ca 0.64 2.19 0.19 0.00 0.70 0.00 0.00 55.95 59.67 3iwk s SER 187 Cb -0.18 -2.61 1.02 0.00 -1.71 0.00 0.00 66.02 62.55 3iwk s SER 187 CO 0.57 -0.30 1.54 -1.84 1.20 0.00 0.00 173.24 174.40 3iwk n GLU 188 N 2.36 0.12 0.06 5.44 0.00 -1.26 -1.09 120.64 126.28 3iwk n GLU 188 Ca 0.03 0.62 -0.03 0.00 0.00 0.00 0.00 57.16 57.78 3iwk n GLU 188 Cb 0.45 -2.01 -0.07 0.00 0.00 0.00 0.00 31.44 29.81 3iwk n GLU 188 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3iwk h LEU 189 N 0.00 0.00 -6.14 -1.84 3.38 -1.93 -3.42 115.31 105.35 3iwk h LEU 189 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3iwk h LEU 189 Cb 0.21 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.62 3iwk h LEU 189 CO 0.00 0.75 -0.85 0.00 0.09 0.00 0.00 178.44 178.43 3iwk s ALA 190 N -2.81 0.55 -0.55 1.53 0.00 -0.25 -4.68 121.76 115.55 3iwk s ALA 190 Ca -0.00 -1.89 0.11 0.00 0.00 0.00 0.00 51.96 50.18 3iwk s ALA 190 Cb 0.09 -1.84 -0.13 0.00 0.00 0.00 0.00 23.12 21.24 3iwk s ALA 190 CO 0.80 -2.05 0.49 0.43 0.00 0.00 0.00 175.76 175.43 3iwk n SER 191 N 3.11 0.55 -0.01 0.00 7.64 -1.18 -4.37 113.62 119.36 3iwk n SER 191 Ca 0.24 -0.77 -0.12 0.00 1.01 0.00 0.00 58.87 59.23 3iwk n SER 191 Cb 0.48 1.00 -0.07 0.00 -1.01 0.00 0.00 64.21 64.61 3iwk n SER 191 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3iwk h VAL 192 N 0.00 1.14 -0.08 0.44 -1.51 -1.93 -2.51 116.25 111.80 3iwk h VAL 192 Ca 0.00 -0.43 -0.13 0.00 -1.23 0.00 0.00 66.70 64.91 3iwk h VAL 192 Cb 0.27 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 3iwk h VAL 192 CO 0.00 0.12 -0.52 0.71 -1.23 0.00 0.00 177.57 176.66 3iwk h THR 193 N -0.05 1.35 -0.29 7.19 1.35 -1.91 -1.83 112.91 118.74 3iwk h THR 193 Ca 0.02 -1.78 -0.10 0.00 -0.55 0.00 0.00 66.41 64.01 3iwk h THR 193 Cb 0.17 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3iwk h THR 193 CO -0.00 0.53 -0.25 0.00 -0.25 0.00 0.00 175.52 175.55 3iwk h LEU 195 N 0.49 0.26 -1.80 0.00 3.38 -1.10 -2.48 115.31 114.06 3iwk h LEU 195 Ca 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3iwk h LEU 195 Cb 0.69 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3iwk h LEU 195 CO 0.05 0.62 -0.14 -0.33 0.09 0.00 0.00 178.44 178.74 3iwk h GLU 196 N 0.21 0.00 0.00 1.13 4.39 -0.72 -1.91 114.58 117.68 3iwk h GLU 196 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3iwk h GLU 196 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3iwk h GLU 196 CO 0.06 0.14 -0.25 1.25 -1.16 0.00 0.00 179.01 179.04 3iwk h LEU 197 N 0.00 0.00 -0.38 1.33 5.85 -0.88 -2.51 115.31 118.72 3iwk h LEU 197 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3iwk h LEU 197 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3iwk h LEU 197 CO 0.02 0.25 -0.18 1.23 -0.34 0.00 0.00 178.44 179.42 3iwk h GLY 198 N 1.85 0.86 1.17 3.75 0.00 -1.33 -1.65 103.07 107.71 3iwk h GLY 198 Ca -0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.50 3iwk h GLY 198 CO 0.03 0.71 0.22 -2.09 0.00 0.00 0.00 176.54 175.41 3iwk h GLU 199 N 0.60 1.05 -0.72 4.80 4.57 -1.52 -2.12 114.58 121.23 3iwk h GLU 199 Ca 0.09 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3iwk h GLU 199 Cb 0.73 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 3iwk h GLU 199 CO 0.06 0.89 0.29 0.82 -1.18 0.00 0.00 179.01 179.89 3iwk h ILE 200 N 1.01 1.25 -0.48 2.32 2.04 -1.33 0.80 117.51 123.11 3iwk h ILE 200 Ca 0.22 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3iwk h ILE 200 Cb 0.28 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3iwk h ILE 200 CO -0.01 0.31 0.10 0.00 0.00 0.00 0.00 178.15 178.55 3iwk h LYS 202 N 0.71 0.43 0.00 0.00 3.64 -0.94 0.60 116.57 121.01 3iwk h LYS 202 Ca 0.16 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3iwk h LYS 202 Cb 0.29 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3iwk h LYS 202 CO 0.00 0.68 -0.07 0.93 -2.27 0.00 0.00 179.45 178.72 3iwk h GLU 203 N 0.15 0.00 -0.01 1.90 5.08 -0.41 -2.49 114.58 118.80 3iwk h GLU 203 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3iwk h GLU 203 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3iwk h GLU 203 CO 0.02 0.07 -0.39 0.28 -1.00 0.00 0.00 179.01 177.99 3iwk n VAL 204 N -3.26 0.00 -2.77 3.13 0.31 -0.38 -5.00 118.33 110.37 3iwk n VAL 204 Ca -0.01 -0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 63.90 3iwk n VAL 204 Cb 0.28 1.21 0.03 0.00 -0.91 0.00 0.00 33.84 34.44 3iwk n VAL 204 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iwk n GLY 205 N 1.25 0.07 3.70 2.92 0.00 -0.73 -4.97 105.19 107.42 3iwk n GLY 205 Ca 0.07 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 3iwk n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 206 N -2.43 3.65 -4.72 0.99 7.94 0.13 -4.87 117.00 117.70 3iwk n LEU 206 Ca -0.04 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.54 3iwk n LEU 206 Cb 0.56 -1.51 -0.00 0.00 0.53 0.00 0.00 43.42 43.00 3iwk n LEU 206 CO 0.28 -0.10 0.95 -2.65 -1.11 0.00 0.00 177.39 174.76 3iwk n PRO 207 N 2.91 2.24 -1.54 1.96 -0.02 -1.26 -4.82 135.00 134.46 3iwk n PRO 207 Ca 0.13 0.78 -0.56 0.00 -2.02 0.00 0.00 63.50 61.84 3iwk n PRO 207 Cb 0.33 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 3iwk n PRO 207 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3iwk n ARG 208 N 0.48 0.53 -0.41 -0.52 1.74 -1.26 -2.33 116.66 114.88 3iwk n ARG 208 Ca 0.04 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3iwk n ARG 208 Cb 0.37 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iwk n GLY 209 N 1.96 1.50 0.22 -0.13 0.00 -1.26 -4.56 105.19 102.92 3iwk n GLY 209 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 3iwk n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iwk h VAL 210 N 0.00 1.30 -3.23 1.61 2.07 -1.75 -3.29 116.25 112.96 3iwk h VAL 210 Ca 0.00 -1.82 -0.58 0.00 0.82 0.00 0.00 66.70 65.12 3iwk h VAL 210 Cb 0.00 1.90 -0.35 0.00 -1.52 0.00 0.00 31.29 31.32 3iwk h VAL 210 CO 0.00 0.57 -0.83 -0.22 0.02 0.00 0.00 177.57 177.11 3iwk s LEU 211 N -8.59 1.68 -0.04 2.57 2.96 -1.26 0.07 118.68 116.07 3iwk s LEU 211 Ca -0.11 -0.43 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 3iwk s LEU 211 Cb 0.08 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 3iwk s LEU 211 CO 0.88 -0.01 -0.23 0.20 -1.32 0.00 0.00 176.35 175.86 3iwk s ASN 212 N 1.13 2.80 -0.26 3.68 -0.87 -0.36 -4.73 114.94 116.33 3iwk s ASN 212 Ca -0.04 -0.45 0.02 0.00 -1.57 0.00 0.00 52.86 50.83 3iwk s ASN 212 Cb -0.14 -0.53 0.06 0.00 -0.02 0.00 0.00 41.25 40.62 3iwk s ASN 212 CO -0.04 0.26 -0.09 -0.63 -2.57 0.00 0.00 177.10 174.03 3iwk s ILE 213 N -0.34 2.00 -0.28 0.60 1.01 0.42 -0.09 121.20 124.52 3iwk s ILE 213 Ca 0.03 -1.55 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 3iwk s ILE 213 Cb -0.11 -2.16 0.04 0.00 0.01 0.00 0.00 42.46 40.23 3iwk s ILE 213 CO 0.01 -0.06 -0.02 -0.69 0.00 0.00 0.00 174.94 174.17 3iwk s VAL 214 N 1.17 3.01 0.14 2.92 1.01 0.29 -2.17 120.40 126.77 3iwk s VAL 214 Ca -0.08 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.76 3iwk s VAL 214 Cb -0.20 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3iwk s VAL 214 CO -0.05 0.05 0.24 0.28 0.00 0.00 0.00 175.10 175.61 3iwk s THR 215 N 1.30 5.13 -5.00 3.92 -1.32 -1.26 -4.12 115.64 114.30 3iwk s THR 215 Ca -0.02 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 3iwk s THR 215 Cb -0.18 -3.62 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 3iwk s THR 215 CO -0.02 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 3iwk n GLY 216 N -0.42 0.02 3.76 6.08 0.00 -1.23 -0.43 105.19 112.98 3iwk n GLY 216 Ca -0.07 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 3iwk n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwk s LEU 217 N 0.00 4.45 0.24 0.99 1.02 -1.26 -4.09 118.68 120.03 3iwk s LEU 217 Ca 0.00 2.23 -0.05 0.00 0.02 0.00 0.00 54.13 56.33 3iwk s LEU 217 Cb 0.00 -3.76 0.41 0.00 0.02 0.00 0.00 46.19 42.86 3iwk s LEU 217 CO 0.00 -0.24 1.77 1.23 0.02 0.00 0.00 176.35 179.13 3iwk h GLY 218 N 3.48 1.16 2.00 -3.19 0.00 -1.96 0.30 103.07 104.87 3iwk h GLY 218 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3iwk h GLY 218 CO 0.66 0.01 0.00 1.12 0.00 0.00 0.00 176.54 178.33 3iwk h HIS 219 N 0.59 0.00 0.00 5.60 2.07 -1.95 -0.44 115.15 121.02 3iwk h HIS 219 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3iwk h HIS 219 Cb 0.48 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 3iwk h HIS 219 CO -0.11 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.14 3iwk n GLU 220 N -2.33 0.00 0.04 5.12 1.02 -0.87 -4.45 120.64 119.17 3iwk n GLU 220 Ca 0.05 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 3iwk n GLU 220 Cb 0.44 -0.12 -0.08 0.00 -0.02 0.00 0.00 31.44 31.66 3iwk n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwk h ALA 221 N -2.00 -0.02 -0.31 0.62 0.00 -1.00 -2.06 119.26 114.50 3iwk h ALA 221 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 221 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iwk h ALA 221 CO 0.00 -0.46 0.16 0.78 0.00 0.00 0.00 179.25 179.73 3iwk h GLY 222 N -0.11 0.46 1.01 0.00 0.00 -1.39 -0.95 103.07 102.09 3iwk h GLY 222 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3iwk h GLY 222 CO 0.00 0.21 0.11 0.00 0.00 0.00 0.00 176.54 176.86 3iwk h ALA 223 N 1.03 0.73 -0.62 3.60 0.00 -1.11 -0.60 119.26 122.29 3iwk h ALA 223 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 223 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3iwk h ALA 223 CO -0.02 0.46 0.36 0.77 0.00 0.00 0.00 179.25 180.82 3iwk h SER 224 N 0.80 0.76 0.08 0.00 0.02 -1.24 -1.62 113.55 112.35 3iwk h SER 224 Ca 0.17 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3iwk h SER 224 Cb 0.38 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3iwk h SER 224 CO 0.01 0.61 -0.04 0.25 -1.14 0.00 0.00 176.83 176.52 3iwk h LEU 225 N 0.84 -0.10 -1.39 5.07 5.85 -0.97 -2.52 115.31 122.10 3iwk h LEU 225 Ca 0.22 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3iwk h LEU 225 Cb 0.01 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3iwk h LEU 225 CO -0.04 0.02 0.44 0.00 -0.34 0.00 0.00 178.44 178.53 3iwk h ALA 226 N 0.70 1.64 -0.02 1.25 0.00 -0.91 -2.74 119.26 119.17 3iwk h ALA 226 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 226 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 226 CO 0.02 0.29 -0.03 -1.13 0.00 0.00 0.00 179.25 178.40 3iwk n SER 227 N -4.46 2.08 -4.71 0.00 3.41 -0.63 -4.63 113.62 104.68 3iwk n SER 227 Ca 0.08 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.61 3iwk n SER 227 Cb 0.14 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iwk s HIS 228 N -2.04 3.15 -0.18 7.33 5.04 -0.95 -4.90 115.29 122.73 3iwk s HIS 228 Ca 0.33 0.85 0.28 0.00 -1.54 0.00 0.00 55.06 54.98 3iwk s HIS 228 Cb 0.20 -3.74 1.24 0.00 0.04 0.00 0.00 32.58 30.32 3iwk s HIS 228 CO 0.34 -2.66 1.84 -1.00 -2.34 0.00 0.00 174.74 170.92 3iwk h PRO 229 N 6.93 0.00 -0.02 2.88 0.13 -1.92 -2.86 132.00 137.15 3iwk h PRO 229 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3iwk h PRO 229 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3iwk h PRO 229 CO 0.88 0.00 -0.22 -0.25 -0.23 0.00 0.00 178.00 178.18 3iwk n ASP 230 N -2.56 1.78 -4.70 1.44 8.00 -1.26 -4.84 116.55 114.40 3iwk n ASP 230 Ca 0.01 -1.40 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 3iwk n ASP 230 Cb 0.21 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -2.30 4.47 -0.05 2.53 1.01 -1.08 -4.68 120.40 120.29 3iwk s VAL 231 Ca 0.26 1.77 0.05 0.00 0.00 0.00 0.00 61.98 64.06 3iwk s VAL 231 Cb 0.19 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 32.19 3iwk s VAL 231 CO 0.46 0.09 0.64 0.44 0.00 0.00 0.00 175.10 176.73 3iwk h ASP 232 N 6.97 0.16 -4.13 3.32 3.32 -1.01 -3.48 116.42 121.57 3iwk h ASP 232 Ca -0.38 -0.32 -0.16 0.00 0.02 0.00 0.00 57.03 56.19 3iwk h ASP 232 Cb 1.20 -0.05 -0.24 0.00 0.22 0.00 0.00 39.33 40.45 3iwk h ASP 232 CO 0.81 1.28 -0.43 -0.75 -1.72 0.00 0.00 179.24 178.44 3iwk s LYS 233 N -2.60 0.36 -0.14 3.56 2.20 -0.94 -4.11 119.74 118.07 3iwk s LYS 233 Ca -0.10 0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 3iwk s LYS 233 Cb 0.08 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3iwk s LYS 233 CO 0.81 -0.06 -0.12 0.42 -0.36 0.00 0.00 175.35 176.04 3iwk s ILE 234 N -0.27 3.02 -0.17 5.43 1.01 -1.17 0.05 121.20 129.11 3iwk s ILE 234 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3iwk s ILE 234 Cb -0.03 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3iwk s ILE 234 CO 0.01 0.51 -0.17 -0.55 0.00 0.00 0.00 174.94 174.74 3iwk s SER 235 N 0.55 3.43 0.01 3.58 0.15 0.51 -1.73 113.70 120.20 3iwk s SER 235 Ca -0.08 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.06 3iwk s SER 235 Cb -0.16 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 3iwk s SER 235 CO 0.04 0.04 -0.13 0.12 1.20 0.00 0.00 173.24 174.50 3iwk s PHE 236 N 1.08 1.15 -0.04 3.44 5.36 -0.12 -1.27 117.98 127.59 3iwk s PHE 236 Ca -0.00 -0.27 -0.00 0.00 -0.96 0.00 0.00 56.93 55.69 3iwk s PHE 236 Cb -0.14 -0.72 0.03 0.00 -0.34 0.00 0.00 43.02 41.85 3iwk s PHE 236 CO -0.06 0.00 0.01 0.99 -1.46 0.00 0.00 175.22 174.70 3iwk s THR 237 N -0.54 0.18 -4.17 0.12 2.01 -0.70 -1.35 115.64 111.19 3iwk s THR 237 Ca 0.03 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3iwk s THR 237 Cb -0.06 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.14 3iwk s THR 237 CO 0.00 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 3iwk n GLY 238 N 4.52 -0.51 3.73 4.40 0.00 -0.79 -3.43 105.19 113.11 3iwk n GLY 238 Ca -0.19 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 3iwk n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwk s SER 239 N -4.00 4.63 0.25 1.61 1.04 -1.26 -3.50 113.70 112.47 3iwk s SER 239 Ca 0.00 2.44 -0.04 0.00 0.48 0.00 0.00 55.95 58.83 3iwk s SER 239 Cb 0.00 -2.60 0.38 0.00 0.10 0.00 0.00 66.02 63.90 3iwk s SER 239 CO 0.00 -1.98 1.86 0.28 0.98 0.00 0.00 173.24 174.39 3iwk h SER 240 N 0.31 0.93 -0.34 7.02 0.02 -1.93 -1.92 113.55 117.64 3iwk h SER 240 Ca -0.49 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 3iwk h SER 240 Cb 1.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 3iwk h SER 240 CO 0.52 0.59 -0.14 0.00 -1.14 0.00 0.00 176.83 176.66 3iwk h ALA 241 N 1.43 0.48 -0.48 3.77 0.00 -1.99 -2.14 119.26 120.33 3iwk h ALA 241 Ca 0.41 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 241 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3iwk h ALA 241 CO -0.18 0.37 -0.22 1.15 0.00 0.00 0.00 179.25 180.37 3iwk h THR 242 N 0.48 1.27 -0.93 0.00 2.02 -1.92 -2.02 112.91 111.80 3iwk h THR 242 Ca 0.08 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.87 3iwk h THR 242 Cb 0.67 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3iwk h THR 242 CO 0.04 0.48 0.59 1.23 0.37 0.00 0.00 175.52 178.23 3iwk h GLY 243 N 0.87 1.34 0.91 2.16 0.00 -1.29 0.16 103.07 107.22 3iwk h GLY 243 Ca 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3iwk h GLY 243 CO 0.07 0.52 0.10 0.23 0.00 0.00 0.00 176.54 177.45 3iwk h SER 244 N 1.28 0.32 -0.77 0.19 0.87 -1.25 -0.78 113.55 113.42 3iwk h SER 244 Ca 0.34 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3iwk h SER 244 Cb -0.10 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 3iwk h SER 244 CO -0.07 0.39 0.42 0.11 -0.53 0.00 0.00 176.83 177.16 3iwk h LYS 245 N 0.24 1.06 -0.37 2.24 1.57 -0.85 -0.67 116.57 119.79 3iwk h LYS 245 Ca 0.08 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3iwk h LYS 245 Cb 0.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3iwk h LYS 245 CO -0.01 0.78 0.20 0.82 -0.57 0.00 0.00 179.45 180.68 3iwk h ILE 246 N 1.06 1.15 -0.76 1.86 2.04 -0.55 -0.52 117.51 121.78 3iwk h ILE 246 Ca 0.27 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3iwk h ILE 246 Cb 0.03 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3iwk h ILE 246 CO -0.04 0.15 0.27 -0.03 0.00 0.00 0.00 178.15 178.50 3iwk h MET 247 N 0.47 1.15 -0.34 2.37 4.05 -0.92 0.16 114.93 121.88 3iwk h MET 247 Ca 0.13 -0.23 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 3iwk h MET 247 Cb 0.06 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 3iwk h MET 247 CO -0.02 0.96 0.12 1.15 0.23 0.00 0.00 176.91 179.35 3iwk h THR 248 N 1.11 0.91 -0.70 -0.77 2.02 -0.85 0.46 112.91 115.09 3iwk h THR 248 Ca 0.25 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3iwk h THR 248 Cb 0.26 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3iwk h THR 248 CO -0.01 0.05 0.38 0.74 0.37 0.00 0.00 175.52 177.05 3iwk h THR 249 N 0.27 1.22 -0.27 3.16 2.02 -0.84 -2.66 112.91 115.81 3iwk h THR 249 Ca 0.15 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 3iwk h THR 249 Cb 0.12 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3iwk h THR 249 CO -0.16 0.24 -0.10 0.00 0.37 0.00 0.00 175.52 175.87 3iwk h ALA 250 N 1.19 1.33 -0.08 6.16 0.00 -0.55 -2.74 119.26 124.57 3iwk h ALA 250 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iwk h ALA 250 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iwk h ALA 250 CO -0.04 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.72 3iwk h ALA 251 N 1.49 1.94 -0.53 0.00 0.00 -0.55 0.40 119.26 122.01 3iwk h ALA 251 Ca 0.08 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3iwk h ALA 251 Cb 0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3iwk h ALA 251 CO 0.02 0.05 0.07 1.96 0.00 0.00 0.00 179.25 181.35 3iwk h GLN 252 N 0.11 0.19 -0.28 0.00 1.08 -1.42 -2.53 115.11 112.25 3iwk h GLN 252 Ca 0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3iwk h GLN 252 Cb -0.01 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3iwk h GLN 252 CO -0.01 0.12 0.00 1.28 -0.95 0.00 0.00 178.83 179.28 3iwk n LEU 253 N -5.17 3.24 -3.20 1.46 4.77 -1.12 -5.00 117.00 111.98 3iwk n LEU 253 Ca 0.06 -2.43 -0.21 0.00 -0.03 0.00 0.00 56.01 53.41 3iwk n LEU 253 Cb 0.28 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3iwk n LEU 253 CO 0.17 0.70 0.22 0.55 -1.33 0.00 0.00 177.39 177.70 3iwk n VAL 254 N 0.00 -2.62 -3.58 4.08 3.14 0.02 -4.99 118.33 114.39 3iwk n VAL 254 Ca 0.15 -0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.18 3iwk n VAL 254 Cb 0.61 -3.68 -0.05 0.00 -1.06 0.00 0.00 33.84 29.65 3iwk n VAL 254 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3iwk s LYS 255 N -6.15 3.77 0.74 1.45 -2.85 -0.56 -4.99 119.74 111.15 3iwk s LYS 255 Ca 0.51 0.19 -0.13 0.00 -1.00 0.00 0.00 55.97 55.54 3iwk s LYS 255 Cb -0.23 -3.02 0.04 0.00 -2.06 0.00 0.00 37.83 32.56 3iwk s LYS 255 CO 0.64 0.58 1.13 -1.25 0.10 0.00 0.00 175.35 176.54 3iwk s PRO 256 N -1.81 2.26 -0.07 1.78 0.04 -1.26 -4.65 135.00 131.29 3iwk s PRO 256 Ca 0.32 1.41 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 3iwk s PRO 256 Cb -0.14 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3iwk s PRO 256 CO 0.17 -1.67 0.25 0.54 0.04 0.00 0.00 177.00 176.33 3iwk s VAL 257 N -2.49 0.02 -0.05 -0.36 0.11 -1.26 -3.04 120.40 113.32 3iwk s VAL 257 Ca 0.66 -0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.59 3iwk s VAL 257 Cb -0.21 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 3iwk s VAL 257 CO 0.49 -0.10 -0.24 -0.94 -3.33 0.00 0.00 175.10 170.98 3iwk s SER 258 N -0.33 2.92 -0.05 3.54 1.04 -0.71 -4.88 113.70 115.25 3iwk s SER 258 Ca -0.04 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3iwk s SER 258 Cb -0.03 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.32 3iwk s SER 258 CO 0.01 0.23 -0.08 -0.76 0.98 0.00 0.00 173.24 173.63 3iwk s LEU 259 N -0.15 1.52 -0.21 2.42 1.43 -0.69 -0.95 118.68 122.06 3iwk s LEU 259 Ca -0.03 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3iwk s LEU 259 Cb -0.13 -0.58 0.05 0.00 0.03 0.00 0.00 46.19 45.56 3iwk s LEU 259 CO 0.03 -0.00 -0.05 -0.70 0.23 0.00 0.00 176.35 175.86 3iwk s GLU 260 N 0.69 1.55 0.00 1.70 2.56 -0.46 -2.00 118.70 122.73 3iwk s GLU 260 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.04 3iwk s GLU 260 Cb -0.14 -2.41 0.00 0.00 2.00 0.00 0.00 34.13 33.58 3iwk s GLU 260 CO 0.01 -0.55 0.00 1.28 -0.56 0.00 0.00 175.26 175.45 3iwk n LEU 261 N 4.75 0.00 0.00 2.70 4.77 -0.65 -1.89 117.00 126.68 3iwk n LEU 261 Ca -0.12 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 3iwk n LEU 261 Cb 0.45 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.68 3iwk n LEU 261 CO 0.17 -0.05 0.18 0.61 -1.33 0.00 0.00 177.39 176.97 3iwk n GLY 262 N 5.00 -3.64 3.62 -0.72 0.00 -1.23 -4.86 105.19 103.36 3iwk n GLY 262 Ca 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3iwk n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 263 N -2.65 0.83 -0.42 -0.02 0.00 -1.13 -4.55 107.32 99.38 3iwk s GLY 263 Ca 0.31 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 44.04 3iwk s GLY 263 CO 0.26 -0.67 0.75 1.17 0.00 0.00 0.00 173.10 174.60 3iwk n LYS 264 N -0.49 0.83 -2.51 2.90 3.00 -1.26 -4.45 118.16 116.17 3iwk n LYS 264 Ca -0.02 -2.67 -0.41 0.00 -0.00 0.00 0.00 58.31 55.21 3iwk n LYS 264 Cb 0.61 -1.36 -0.04 0.00 0.00 0.00 0.00 35.03 34.24 3iwk n LYS 264 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3iwk s SER 265 N -1.59 7.29 0.26 3.14 0.01 -1.15 -4.77 113.70 116.89 3iwk s SER 265 Ca 0.33 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.61 3iwk s SER 265 Cb 0.24 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 3iwk s SER 265 CO -0.13 -0.17 0.62 -2.16 0.41 0.00 0.00 173.24 171.81 3iwk s PRO 266 N -0.77 3.91 -0.20 12.44 0.04 -1.26 -1.62 135.00 147.53 3iwk s PRO 266 Ca 0.47 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.98 3iwk s PRO 266 Cb -0.30 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.68 3iwk s PRO 266 CO 0.37 0.27 -0.11 -1.50 0.04 0.00 0.00 177.00 176.08 3iwk s ILE 267 N -1.84 1.66 -0.40 0.56 2.07 -0.13 -1.28 121.20 121.85 3iwk s ILE 267 Ca 0.49 -1.02 -0.17 0.00 -1.41 0.00 0.00 60.65 58.54 3iwk s ILE 267 Cb -0.11 -1.73 0.01 0.00 0.13 0.00 0.00 42.46 40.76 3iwk s ILE 267 CO 0.20 0.18 0.42 -0.69 -1.91 0.00 0.00 174.94 173.14 3iwk s VAL 268 N 1.39 5.10 -0.29 4.00 1.01 0.82 -1.13 120.40 131.30 3iwk s VAL 268 Ca -0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 3iwk s VAL 268 Cb -0.16 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3iwk s VAL 268 CO -0.08 -0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.12 3iwk s VAL 269 N 2.13 4.49 0.76 2.92 1.01 0.48 -0.54 120.40 131.65 3iwk s VAL 269 Ca 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3iwk s VAL 269 Cb -0.17 -3.22 0.15 0.00 0.00 0.00 0.00 36.38 33.14 3iwk s VAL 269 CO 0.13 0.17 1.05 -0.36 0.00 0.00 0.00 175.10 176.09 3iwk s PHE 270 N 1.61 1.43 0.08 5.22 0.08 -0.58 -1.07 117.98 124.76 3iwk s PHE 270 Ca 0.05 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 56.89 3iwk s PHE 270 Cb -0.16 -3.12 -0.23 0.00 -0.57 0.00 0.00 43.02 38.94 3iwk s PHE 270 CO 0.05 -1.89 1.15 1.05 -0.10 0.00 0.00 175.22 175.48 3iwk h GLU 271 N -0.70 0.05 -3.48 0.44 9.09 -1.92 -3.39 114.58 114.68 3iwk h GLU 271 Ca -0.36 -0.09 -0.71 0.00 0.05 0.00 0.00 59.36 58.25 3iwk h GLU 271 Cb 1.26 0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 28.36 3iwk h GLU 271 CO 0.38 0.97 3.18 -0.40 0.05 0.00 0.00 179.01 183.19 3iwk n ASP 272 N -3.34 6.03 -3.92 3.06 5.75 -1.26 -4.87 116.55 117.99 3iwk n ASP 272 Ca -0.04 -2.81 -0.10 0.00 -0.01 0.00 0.00 54.79 51.82 3iwk n ASP 272 Cb 0.97 -1.58 -0.11 0.00 -1.03 0.00 0.00 41.12 39.38 3iwk n ASP 272 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iwk s VAL 273 N 2.12 0.08 -0.53 2.12 0.11 -1.26 -1.93 120.40 121.11 3iwk s VAL 273 Ca 0.54 -0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 58.63 3iwk s VAL 273 Cb 0.15 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 3iwk s VAL 273 CO -0.07 -0.38 1.48 -0.62 -3.33 0.00 0.00 175.10 172.19 3iwk s ASP 274 N -1.18 6.06 0.26 3.54 -1.08 -1.26 -4.90 116.67 118.11 3iwk s ASP 274 Ca -0.13 0.43 -0.02 0.00 -0.52 0.00 0.00 52.55 52.31 3iwk s ASP 274 Cb -0.08 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.31 3iwk s ASP 274 CO -0.00 -1.74 1.81 -0.07 0.52 0.00 0.00 175.17 175.70 3iwk h LEU 275 N 13.34 0.76 -0.16 -1.34 4.07 -1.98 -2.16 115.31 127.83 3iwk h LEU 275 Ca -0.27 0.05 -0.15 0.00 0.08 0.00 0.00 57.88 57.59 3iwk h LEU 275 Cb 1.11 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.76 3iwk h LEU 275 CO 1.16 0.41 -0.49 0.44 -1.08 0.00 0.00 178.44 178.88 3iwk h ASP 276 N 0.85 0.71 -0.26 -0.43 3.32 -1.98 -0.03 116.42 118.59 3iwk h ASP 276 Ca 0.44 -0.60 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3iwk h ASP 276 Cb 0.44 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3iwk h ASP 276 CO -0.26 1.18 0.04 0.11 -1.72 0.00 0.00 179.24 178.59 3iwk h LYS 277 N 0.27 0.43 0.00 3.56 1.57 -1.94 -2.86 116.57 117.61 3iwk h LYS 277 Ca -0.02 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3iwk h LYS 277 Cb 1.12 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3iwk h LYS 277 CO 0.11 0.56 -0.07 -0.39 -0.57 0.00 0.00 179.45 179.08 3iwk h VAL 278 N 0.24 0.15 -0.61 0.50 -1.51 -1.43 -2.89 116.25 110.70 3iwk h VAL 278 Ca 0.08 -0.90 -0.06 0.00 -1.23 0.00 0.00 66.70 64.59 3iwk h VAL 278 Cb 0.33 1.78 -0.03 0.00 -2.13 0.00 0.00 31.29 31.25 3iwk h VAL 278 CO 0.01 0.07 0.14 0.00 -1.23 0.00 0.00 177.57 176.55 3iwk h ALA 279 N 1.93 1.09 -0.49 5.19 0.00 -0.78 -1.53 119.26 124.66 3iwk h ALA 279 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3iwk h ALA 279 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3iwk h ALA 279 CO 0.01 0.60 -0.19 1.49 0.00 0.00 0.00 179.25 181.17 3iwk h GLU 280 N 0.92 0.98 -0.64 0.00 4.81 -1.30 -2.40 114.58 116.96 3iwk h GLU 280 Ca 0.19 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 3iwk h GLU 280 Cb 0.34 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3iwk h GLU 280 CO 0.00 1.08 0.12 -1.49 -0.73 0.00 0.00 179.01 177.99 3iwk h TRP 281 N 0.86 1.11 -0.13 0.92 4.06 -1.42 0.01 115.95 121.35 3iwk h TRP 281 Ca 0.12 -0.15 -0.18 0.00 2.06 0.00 0.00 58.89 60.75 3iwk h TRP 281 Cb 0.76 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 3iwk h TRP 281 CO 0.05 0.93 -0.65 1.79 -3.56 0.00 0.00 178.44 177.00 3iwk h THR 282 N 0.96 1.35 -0.46 1.49 1.35 -1.25 0.23 112.91 116.58 3iwk h THR 282 Ca 0.20 -1.97 -0.09 0.00 -0.55 0.00 0.00 66.41 64.00 3iwk h THR 282 Cb 0.41 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3iwk h THR 282 CO 0.01 0.60 -0.09 0.58 -0.25 0.00 0.00 175.52 176.37 3iwk h VAL 283 N 0.36 1.26 0.03 6.82 2.07 -1.37 -3.07 116.25 122.34 3iwk h VAL 283 Ca -0.01 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3iwk h VAL 283 Cb 1.21 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3iwk h VAL 283 CO 0.12 0.40 -0.02 0.15 0.02 0.00 0.00 177.57 178.24 3iwk h PHE 284 N 0.74 -0.04 0.00 1.57 3.04 -0.65 0.42 116.94 122.03 3iwk h PHE 284 Ca 0.13 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3iwk h PHE 284 Cb 0.58 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.10 3iwk h PHE 284 CO 0.03 0.29 0.19 0.78 -2.02 0.00 0.00 178.31 177.58 3iwk h GLY 285 N -0.38 0.00 0.00 2.40 0.00 -0.54 -2.65 103.07 101.89 3iwk h GLY 285 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3iwk h GLY 285 CO 0.01 0.00 -1.09 0.00 0.00 0.00 0.00 176.54 175.46 3iwk n PHE 287 N -2.02 0.00 -1.68 0.00 0.99 0.13 -3.85 117.46 111.04 3iwk n PHE 287 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.04 3iwk n PHE 287 Cb 0.51 -0.57 0.03 0.00 -1.00 0.00 0.00 39.48 38.45 3iwk n PHE 287 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iwk n PHE 288 N -2.31 1.67 -2.44 1.38 -0.00 -1.01 -1.30 117.46 113.45 3iwk n PHE 288 Ca -0.11 0.47 -0.21 0.00 -0.00 0.00 0.00 57.45 57.61 3iwk n PHE 288 Cb 0.67 -2.28 -0.01 0.00 -0.00 0.00 0.00 39.48 37.85 3iwk n PHE 288 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3iwk n THR 289 N -0.90 -1.05 -2.75 -2.13 -1.04 -1.26 -1.22 114.28 103.92 3iwk n THR 289 Ca 0.10 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.91 3iwk n THR 289 Cb 0.43 -3.00 0.01 0.00 -1.82 0.00 0.00 70.33 65.95 3iwk n THR 289 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3iwk n ASN 290 N -2.05 -5.47 -0.31 8.00 3.02 -0.72 -1.43 115.26 116.30 3iwk n ASN 290 Ca -0.24 -0.13 -0.04 0.00 -0.03 0.00 0.00 54.58 54.14 3iwk n ASN 290 Cb 0.68 -4.50 -0.02 0.00 -0.61 0.00 0.00 39.78 35.34 3iwk n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwk n GLY 291 N -1.20 0.62 2.69 7.41 0.00 -0.36 -3.11 105.19 111.24 3iwk n GLY 291 Ca -0.16 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3iwk n GLY 291 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iwk n GLN 292 N -1.71 5.29 -5.10 1.61 6.02 -0.51 -3.23 117.38 119.74 3iwk n GLN 292 Ca -0.04 -4.66 -0.32 0.00 -0.01 0.00 0.00 57.00 51.97 3iwk n GLN 292 Cb 0.28 -2.47 -0.15 0.00 1.02 0.00 0.00 30.24 28.92 3iwk n GLN 292 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iwk s ILE 293 N -4.16 2.47 0.20 5.09 1.01 -1.26 -4.80 121.20 119.75 3iwk s ILE 293 Ca 0.38 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 3iwk s ILE 293 Cb 0.18 -1.94 0.14 0.00 0.01 0.00 0.00 42.46 40.85 3iwk s ILE 293 CO -0.10 0.57 1.80 0.00 0.00 0.00 0.00 174.94 177.21 3iwk n SER 295 N -4.41 5.03 -4.57 0.00 3.41 -1.26 -2.84 113.62 108.98 3iwk n SER 295 Ca 0.06 -2.66 -0.51 0.00 -0.26 0.00 0.00 58.87 55.50 3iwk n SER 295 Cb 0.13 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 3iwk n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwk n ALA 296 N 0.82 -1.18 -2.90 7.33 0.00 -1.07 -4.65 120.51 118.86 3iwk n ALA 296 Ca 0.25 0.50 -0.44 0.00 0.00 0.00 0.00 53.44 53.76 3iwk n ALA 296 Cb 1.01 -2.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 3iwk n ALA 296 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iwk s THR 297 N 0.15 4.83 -1.56 0.00 -4.23 0.30 -2.92 115.64 112.21 3iwk s THR 297 Ca 0.80 -2.18 0.23 0.00 -1.18 0.00 0.00 61.69 59.36 3iwk s THR 297 Cb -0.94 -4.90 -0.03 0.00 1.34 0.00 0.00 72.50 67.97 3iwk s THR 297 CO 0.50 -1.63 1.14 -1.54 -0.54 0.00 0.00 174.62 172.55 3iwk n SER 298 N 6.26 1.39 -4.18 3.99 3.41 -0.64 -4.25 113.62 119.60 3iwk n SER 298 Ca 0.33 -1.12 -0.36 0.00 -0.26 0.00 0.00 58.87 57.46 3iwk n SER 298 Cb 0.45 0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 64.84 3iwk n SER 298 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iwk s ARG 299 N -2.70 2.35 -0.03 4.33 0.52 -1.02 -1.32 118.95 121.08 3iwk s ARG 299 Ca 0.15 -1.42 -0.25 0.00 -0.52 0.00 0.00 55.73 53.69 3iwk s ARG 299 Cb 0.18 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3iwk s ARG 299 CO 0.67 -0.78 0.78 -1.17 0.02 0.00 0.00 175.30 174.82 3iwk s LEU 300 N 1.26 4.35 -0.38 2.53 0.20 0.11 -0.95 118.68 125.80 3iwk s LEU 300 Ca -0.00 1.35 0.02 0.00 0.69 0.00 0.00 54.13 56.18 3iwk s LEU 300 Cb -0.21 -3.22 0.11 0.00 -0.43 0.00 0.00 46.19 42.44 3iwk s LEU 300 CO -0.01 -0.12 0.14 -0.63 -0.29 0.00 0.00 176.35 175.44 3iwk s ILE 301 N 0.68 1.61 -0.13 6.68 1.01 -0.28 -0.33 121.20 130.43 3iwk s ILE 301 Ca 0.41 -2.21 -0.04 0.00 0.00 0.00 0.00 60.65 58.82 3iwk s ILE 301 Cb -0.19 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3iwk s ILE 301 CO 0.21 -0.73 -0.01 -0.69 0.00 0.00 0.00 174.94 173.73 3iwk s VAL 302 N 0.85 4.19 0.14 2.92 1.01 -0.55 -0.39 120.40 128.56 3iwk s VAL 302 Ca 0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 61.98 61.50 3iwk s VAL 302 Cb -0.21 -2.81 -0.15 0.00 0.00 0.00 0.00 36.38 33.21 3iwk s VAL 302 CO -0.11 0.53 1.48 1.57 0.00 0.00 0.00 175.10 178.57 3iwk n HIS 303 N 3.02 1.98 -0.13 5.22 -0.00 -0.23 -1.48 115.22 123.60 3iwk n HIS 303 Ca -0.18 0.41 0.22 0.00 0.46 0.00 0.00 57.72 58.64 3iwk n HIS 303 Cb 0.53 -2.46 0.64 0.00 -0.12 0.00 0.00 29.99 28.58 3iwk n HIS 303 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3iwk h GLU 304 N 5.32 0.13 0.00 1.57 4.11 -1.30 -1.42 114.58 123.00 3iwk h GLU 304 Ca -0.46 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 3iwk h GLU 304 Cb 1.28 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3iwk h GLU 304 CO 0.84 0.09 -0.06 0.66 0.07 0.00 0.00 179.01 180.61 3iwk h SER 305 N 0.14 0.00 -0.00 3.06 4.64 -1.89 -3.09 113.55 116.41 3iwk h SER 305 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3iwk h SER 305 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3iwk h SER 305 CO -0.05 0.06 -0.07 2.30 -0.87 0.00 0.00 176.83 178.19 3iwk n ILE 306 N -3.15 0.00 -0.14 0.95 -5.35 -1.01 -4.89 119.36 105.77 3iwk n ILE 306 Ca 0.01 -0.46 -0.04 0.00 -0.27 0.00 0.00 62.75 61.99 3iwk n ILE 306 Cb 0.40 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 3iwk n ILE 306 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iwk h ALA 307 N 0.46 -0.23 -0.60 -1.28 0.00 -1.18 0.48 119.26 116.91 3iwk h ALA 307 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 307 Cb 0.09 1.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3iwk h ALA 307 CO 0.00 -0.38 0.17 -0.24 0.00 0.00 0.00 179.25 178.80 3iwk h VAL 308 N -0.02 1.23 -0.00 0.00 3.04 -1.89 0.96 116.25 119.58 3iwk h VAL 308 Ca 0.05 -0.81 -0.18 0.00 -1.01 0.00 0.00 66.70 64.75 3iwk h VAL 308 Cb 0.16 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 3iwk h VAL 308 CO -0.33 0.31 -0.82 1.05 -1.01 0.00 0.00 177.57 176.77 3iwk h GLU 309 N 0.88 0.09 -0.24 4.17 4.11 -1.88 -2.46 114.58 119.25 3iwk h GLU 309 Ca 0.20 -0.10 -0.09 0.00 0.07 0.00 0.00 59.36 59.44 3iwk h GLU 309 Cb 0.28 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3iwk h GLU 309 CO -0.01 0.86 -0.21 0.35 0.07 0.00 0.00 179.01 180.07 3iwk h PHE 310 N 0.05 0.67 -0.37 2.06 3.57 -0.34 -2.59 116.94 120.00 3iwk h PHE 310 Ca -0.02 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.21 3iwk h PHE 310 Cb 1.44 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3iwk h PHE 310 CO 0.01 0.88 -0.06 0.28 -2.23 0.00 0.00 178.31 177.20 3iwk h VAL 311 N 0.27 1.23 -0.45 1.41 2.07 -0.89 -1.57 116.25 118.33 3iwk h VAL 311 Ca 0.04 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.49 3iwk h VAL 311 Cb 0.76 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3iwk h VAL 311 CO 0.05 0.33 -0.07 0.44 0.02 0.00 0.00 177.57 178.35 3iwk h ASP 312 N 0.57 0.77 -0.12 0.57 3.32 -1.43 -1.27 116.42 118.83 3iwk h ASP 312 Ca 0.11 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3iwk h ASP 312 Cb 0.46 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3iwk h ASP 312 CO 0.02 0.87 0.06 0.11 -1.72 0.00 0.00 179.24 178.58 3iwk h LYS 313 N 0.72 0.17 -0.68 3.56 1.57 -1.06 -2.46 116.57 118.38 3iwk h LYS 313 Ca 0.13 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 3iwk h LYS 313 Cb 0.53 -0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.69 3iwk h LYS 313 CO 0.03 0.22 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.05 3iwk h LEU 314 N 0.07 -0.35 -0.75 2.94 4.07 -1.03 -1.12 115.31 119.14 3iwk h LEU 314 Ca 0.04 0.18 0.04 0.00 0.08 0.00 0.00 57.88 58.21 3iwk h LEU 314 Cb 0.11 0.32 -0.05 0.00 1.08 0.00 0.00 40.66 42.12 3iwk h LEU 314 CO -0.01 -0.15 0.47 0.58 -1.08 0.00 0.00 178.44 178.25 3iwk h VAL 315 N 0.10 1.09 -0.09 1.22 2.07 -0.95 -0.68 116.25 119.01 3iwk h VAL 315 Ca 0.36 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3iwk h VAL 315 Cb 0.61 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3iwk h VAL 315 CO -0.61 0.16 -0.10 0.11 0.02 0.00 0.00 177.57 177.16 3iwk h LYS 316 N 0.90 0.22 -0.31 1.57 1.57 -0.88 -1.73 116.57 117.91 3iwk h LYS 316 Ca 0.30 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 3iwk h LYS 316 Cb 0.04 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 3iwk h LYS 316 CO -0.12 0.66 -0.18 -1.49 -0.57 0.00 0.00 179.45 177.76 3iwk h TRP 317 N -0.21 -0.45 -0.69 -1.35 4.06 -1.15 -1.99 115.95 114.18 3iwk h TRP 317 Ca 0.01 0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 3iwk h TRP 317 Cb 0.63 0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 3iwk h TRP 317 CO 0.09 -0.25 0.35 0.00 -3.56 0.00 0.00 178.44 175.07 3iwk h ALA 318 N 1.07 1.32 0.00 1.49 0.00 -1.10 -2.16 119.26 119.88 3iwk h ALA 318 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 318 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iwk h ALA 318 CO -0.40 0.54 0.00 0.93 0.00 0.00 0.00 179.25 180.32 3iwk h GLU 319 N 0.97 0.00 -0.01 0.00 5.08 -1.02 -2.77 114.58 116.82 3iwk h GLU 319 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3iwk h GLU 319 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3iwk h GLU 319 CO -0.04 0.00 -0.22 -1.71 -1.00 0.00 0.00 179.01 176.04 3iwk n ASN 320 N -2.39 1.23 -4.67 1.42 5.15 -0.77 -4.88 115.26 110.35 3iwk n ASN 320 Ca 0.04 -1.07 -0.43 0.00 -0.60 0.00 0.00 54.58 52.53 3iwk n ASN 320 Cb 0.38 0.14 -0.02 0.00 -0.53 0.00 0.00 39.78 39.74 3iwk n ASN 320 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3iwk s ILE 321 N -2.40 3.97 -0.10 -1.44 1.01 -1.05 -4.97 121.20 116.23 3iwk s ILE 321 Ca 0.26 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.85 3iwk s ILE 321 Cb 0.19 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3iwk s ILE 321 CO 0.49 -0.08 1.41 -0.75 0.00 0.00 0.00 174.94 176.01 3iwk s LYS 322 N 3.28 4.23 -0.24 2.79 2.20 -1.26 -4.90 119.74 125.83 3iwk s LYS 322 Ca 0.62 1.89 -0.08 0.00 -0.36 0.00 0.00 55.97 58.04 3iwk s LYS 322 Cb -0.27 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 3iwk s LYS 322 CO 0.22 -0.72 0.09 0.42 -0.36 0.00 0.00 175.35 174.99 3iwk s ILE 323 N 3.44 4.51 0.26 5.43 1.01 -1.26 -1.69 121.20 132.90 3iwk s ILE 323 Ca 0.62 -0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 3iwk s ILE 323 Cb -0.27 -3.11 0.06 0.00 0.01 0.00 0.00 42.46 39.16 3iwk s ILE 323 CO 0.22 0.34 0.92 -0.94 0.00 0.00 0.00 174.94 175.48 3iwk s SER 324 N 1.47 -0.04 0.22 3.58 1.04 -1.10 -5.02 113.70 113.85 3iwk s SER 324 Ca 0.06 -0.80 -0.31 0.00 0.48 0.00 0.00 55.95 55.37 3iwk s SER 324 Cb -0.15 0.64 -0.14 0.00 0.10 0.00 0.00 66.02 66.46 3iwk s SER 324 CO 0.04 -1.25 1.25 -0.67 0.98 0.00 0.00 173.24 173.60 3iwk n ASP 325 N -1.14 1.99 0.21 7.02 2.03 -1.26 -4.43 116.55 120.97 3iwk n ASP 325 Ca -0.05 1.15 0.18 0.00 0.52 0.00 0.00 54.79 56.58 3iwk n ASP 325 Cb 0.60 -1.32 0.84 0.00 -0.72 0.00 0.00 41.12 40.51 3iwk n ASP 325 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iwk h PRO 326 N 3.54 0.00 0.00 -0.67 0.11 -1.87 -2.06 132.00 131.06 3iwk h PRO 326 Ca -0.44 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 3iwk h PRO 326 Cb 1.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 3iwk h PRO 326 CO 0.71 0.00 -1.01 -0.07 -0.21 0.00 0.00 178.00 177.42 3iwk h LEU 327 N 0.00 0.00 -9.81 2.35 3.38 -1.89 0.32 115.31 109.65 3iwk h LEU 327 Ca 0.09 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.52 3iwk h LEU 327 Cb 0.58 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.42 3iwk h LEU 327 CO -0.00 0.50 0.86 1.21 0.09 0.00 0.00 178.44 181.10 3iwk n GLU 328 N -3.01 2.68 -1.72 1.13 2.13 -0.78 -4.92 120.64 116.16 3iwk n GLU 328 Ca -0.04 0.95 -0.43 0.00 0.66 0.00 0.00 57.16 58.30 3iwk n GLU 328 Cb 0.78 -2.72 -0.02 0.00 0.27 0.00 0.00 31.44 29.74 3iwk n GLU 328 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3iwk n GLU 329 N 1.88 2.54 -0.76 5.31 2.13 -1.26 -2.55 120.64 127.93 3iwk n GLU 329 Ca 0.07 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.80 3iwk n GLU 329 Cb 0.37 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.41 3iwk n GLU 329 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iwk n GLY 330 N 2.43 0.70 3.66 8.31 0.00 -1.26 -5.01 105.19 114.02 3iwk n GLY 330 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3iwk n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk n ARG 332 N 6.92 2.76 -3.68 0.00 5.12 -0.84 -4.77 116.66 122.18 3iwk n ARG 332 Ca 0.17 -0.38 -0.12 0.00 -1.93 0.00 0.00 57.85 55.59 3iwk n ARG 332 Cb 0.43 -1.02 -0.12 0.00 -1.16 0.00 0.00 32.46 30.58 3iwk n ARG 332 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iwk s LEU 333 N -1.90 -0.18 0.00 0.55 2.96 -0.68 -4.90 118.68 114.53 3iwk s LEU 333 Ca 0.06 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 3iwk s LEU 333 Cb 0.08 0.95 0.00 0.00 0.50 0.00 0.00 46.19 47.71 3iwk s LEU 333 CO 0.29 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 3iwk n GLY 334 N 4.94 1.76 3.92 7.98 0.00 -1.26 -2.70 105.19 119.82 3iwk n GLY 334 Ca -0.14 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 3iwk n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iwk s PRO 335 N -1.91 3.53 0.42 1.61 0.04 -1.23 -4.78 135.00 132.69 3iwk s PRO 335 Ca 0.00 0.05 -0.26 0.00 0.04 0.00 0.00 61.00 60.83 3iwk s PRO 335 Cb 0.00 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 3iwk s PRO 335 CO 0.00 -0.09 1.40 0.42 0.04 0.00 0.00 177.00 178.77 3iwk s ILE 336 N -2.60 2.24 0.42 0.56 -1.09 1.00 -4.69 121.20 117.04 3iwk s ILE 336 Ca 0.45 0.22 0.20 0.00 -2.23 0.00 0.00 60.65 59.29 3iwk s ILE 336 Cb -0.10 -3.13 0.40 0.00 -1.58 0.00 0.00 42.46 38.05 3iwk s ILE 336 CO 0.42 0.04 1.80 1.62 -1.23 0.00 0.00 174.94 177.58 3iwk h VAL 337 N 2.47 0.56 -3.52 2.92 3.04 -1.89 -3.43 116.25 116.40 3iwk h VAL 337 Ca -0.50 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 3iwk h VAL 337 Cb 1.26 0.17 -0.09 0.00 -2.01 0.00 0.00 31.29 30.61 3iwk h VAL 337 CO 0.62 0.06 -0.06 -0.94 -1.01 0.00 0.00 177.57 176.24 3iwk s SER 338 N -5.36 -0.13 0.05 3.17 1.04 -1.26 -4.56 113.70 106.64 3iwk s SER 338 Ca -0.08 -0.81 -0.25 0.00 0.48 0.00 0.00 55.95 55.29 3iwk s SER 338 Cb 0.24 0.59 -0.17 0.00 0.10 0.00 0.00 66.02 66.79 3iwk s SER 338 CO 0.79 -1.14 1.54 -0.08 0.98 0.00 0.00 173.24 175.33 3iwk h GLU 339 N 2.23 -0.08 -0.92 4.02 4.81 -1.98 -1.12 114.58 121.54 3iwk h GLU 339 Ca -0.26 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3iwk h GLU 339 Cb 1.25 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.57 3iwk h GLU 339 CO 0.35 0.12 0.55 0.00 -0.73 0.00 0.00 179.01 179.30 3iwk h ALA 340 N 0.65 1.34 -0.30 2.92 0.00 -1.99 -0.83 119.26 121.05 3iwk h ALA 340 Ca -0.01 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3iwk h ALA 340 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iwk h ALA 340 CO 0.01 0.18 -0.49 1.96 0.00 0.00 0.00 179.25 180.91 3iwk h GLN 341 N 0.90 0.82 -0.27 0.00 1.08 -1.95 -2.33 115.11 113.36 3iwk h GLN 341 Ca 0.44 -0.48 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 3iwk h GLN 341 Cb 0.41 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 3iwk h GLN 341 CO -0.25 1.12 0.10 -0.92 -0.95 0.00 0.00 178.83 177.93 3iwk h TYR 342 N 0.65 0.19 -0.51 2.96 3.20 -0.47 -1.43 116.97 121.55 3iwk h TYR 342 Ca 0.03 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.84 3iwk h TYR 342 Cb 1.07 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 3iwk h TYR 342 CO 0.06 0.09 0.01 0.87 -1.64 0.00 0.00 178.16 177.55 3iwk h LYS 343 N 0.23 0.85 -0.33 1.82 1.57 -1.13 -0.49 116.57 119.09 3iwk h LYS 343 Ca 0.12 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3iwk h LYS 343 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3iwk h LYS 343 CO -0.11 0.85 0.18 0.87 -0.57 0.00 0.00 179.45 180.66 3iwk h LYS 344 N 0.79 0.47 -0.71 3.15 1.57 -1.16 0.45 116.57 121.13 3iwk h LYS 344 Ca 0.15 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3iwk h LYS 344 Cb 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3iwk h LYS 344 CO 0.02 0.41 0.32 0.28 -0.57 0.00 0.00 179.45 179.90 3iwk h VAL 345 N 0.41 1.24 -0.27 0.50 2.07 -0.96 -0.99 116.25 118.26 3iwk h VAL 345 Ca 0.12 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 3iwk h VAL 345 Cb 0.08 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3iwk h VAL 345 CO -0.02 0.29 -0.34 -0.07 0.02 0.00 0.00 177.57 177.45 3iwk h LEU 346 N 1.01 0.61 -0.95 2.57 3.38 -0.97 -2.87 115.31 118.08 3iwk h LEU 346 Ca 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iwk h LEU 346 Cb 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3iwk h LEU 346 CO -0.03 0.90 0.24 0.78 0.09 0.00 0.00 178.44 180.43 3iwk h ASN 347 N 0.49 0.93 -0.83 -0.43 2.35 -0.53 -0.45 115.58 117.11 3iwk h ASN 347 Ca 0.05 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3iwk h ASN 347 Cb 0.83 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 3iwk h ASN 347 CO 0.07 0.85 0.48 0.00 -1.65 0.00 0.00 177.43 177.18 3iwk h ILE 349 N 1.15 1.30 -0.34 0.00 2.04 -1.28 -1.91 117.51 118.46 3iwk h ILE 349 Ca 0.30 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3iwk h ILE 349 Cb -0.01 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3iwk h ILE 349 CO -0.05 0.33 -0.02 -1.28 0.00 0.00 0.00 178.15 177.13 3iwk h SER 350 N 0.12 -0.18 -0.76 1.72 0.87 -0.87 -1.87 113.55 112.58 3iwk h SER 350 Ca 0.05 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3iwk h SER 350 Cb 0.54 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 3iwk h SER 350 CO 0.02 -0.05 0.26 0.28 -0.53 0.00 0.00 176.83 176.81 3iwk h SER 351 N 0.07 1.08 -0.62 6.23 0.02 -0.68 -0.32 113.55 119.34 3iwk h SER 351 Ca 0.17 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3iwk h SER 351 Cb 0.24 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3iwk h SER 351 CO -0.30 0.99 0.38 0.00 -1.14 0.00 0.00 176.83 176.76 3iwk h ALA 352 N 1.16 0.80 -0.27 3.77 0.00 -1.07 0.14 119.26 123.78 3iwk h ALA 352 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 352 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iwk h ALA 352 CO -0.01 0.12 0.14 -0.22 0.00 0.00 0.00 179.25 179.28 3iwk h LYS 353 N 0.75 0.39 -0.60 0.00 3.64 -0.77 -1.23 116.57 118.75 3iwk h LYS 353 Ca 0.25 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3iwk h LYS 353 Cb 0.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3iwk h LYS 353 CO -0.10 0.37 0.40 0.77 -2.27 0.00 0.00 179.45 178.61 3iwk h SER 354 N 0.32 0.65 -0.00 4.20 0.02 -0.61 -1.75 113.55 116.38 3iwk h SER 354 Ca 0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3iwk h SER 354 Cb 0.10 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3iwk h SER 354 CO -0.01 0.46 0.00 -0.62 -1.14 0.00 0.00 176.83 175.52 3iwk n GLU 355 N -4.45 1.09 -0.16 3.45 1.02 -0.00 -4.90 120.64 116.68 3iwk n GLU 355 Ca 0.07 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3iwk n GLU 355 Cb 0.09 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3iwk n GLU 355 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwk n GLY 356 N 1.00 0.88 3.88 0.62 0.00 -0.66 -5.06 105.19 105.85 3iwk n GLY 356 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3iwk n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 357 N -2.04 2.88 -0.20 4.61 0.00 -0.49 -4.98 121.76 121.54 3iwk s ALA 357 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 3iwk s ALA 357 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 3iwk s ALA 357 CO 0.00 -1.14 0.16 0.99 0.00 0.00 0.00 175.76 175.78 3iwk s THR 358 N -3.33 5.38 -0.94 0.00 2.01 0.51 -4.48 115.64 114.80 3iwk s THR 358 Ca 0.58 0.25 -0.19 0.00 0.31 0.00 0.00 61.69 62.65 3iwk s THR 358 Cb -0.11 -3.50 0.13 0.00 0.01 0.00 0.00 72.50 69.03 3iwk s THR 358 CO 0.52 0.41 1.13 -0.63 -0.69 0.00 0.00 174.62 175.37 3iwk s ILE 359 N 0.51 4.73 0.23 1.82 -1.09 -1.26 -0.98 121.20 125.16 3iwk s ILE 359 Ca 0.09 -1.60 -0.03 0.00 -2.23 0.00 0.00 60.65 56.88 3iwk s ILE 359 Cb -0.12 -4.78 0.08 0.00 -1.58 0.00 0.00 42.46 36.05 3iwk s ILE 359 CO 0.00 -1.51 1.69 0.25 -1.23 0.00 0.00 174.94 174.14 3iwk h LEU 360 N 10.40 0.79 -7.45 2.97 6.46 -1.45 -3.45 115.31 123.58 3iwk h LEU 360 Ca 0.16 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 3iwk h LEU 360 Cb 1.02 -0.21 -0.16 0.00 -0.73 0.00 0.00 40.66 40.58 3iwk h LEU 360 CO 1.11 0.91 -0.15 0.28 -0.62 0.00 0.00 178.44 179.97 3iwk s THR 361 N -4.81 0.07 0.00 1.05 -1.32 -1.18 -4.99 115.64 104.46 3iwk s THR 361 Ca -0.09 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 3iwk s THR 361 Cb 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 3iwk s THR 361 CO 0.82 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 3iwk n GLY 362 N 0.39 1.06 2.32 6.08 0.00 -1.23 -2.32 105.19 111.49 3iwk n GLY 362 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3iwk n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwk n GLY 363 N 0.00 0.62 3.33 -0.02 0.00 -1.25 -4.98 105.19 102.89 3iwk n GLY 363 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -0.06 1.20 0.14 1.61 1.70 -1.26 -4.97 118.95 117.31 3iwk s ARG 364 Ca 0.00 -1.31 -0.31 0.00 -0.47 0.00 0.00 55.73 53.64 3iwk s ARG 364 Cb 0.00 0.36 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 3iwk s ARG 364 CO 0.00 -0.43 1.46 0.50 -1.08 0.00 0.00 175.30 175.74 3iwk s ARG 365 N -4.02 4.28 0.45 3.89 3.52 -1.26 -1.93 118.95 123.88 3iwk s ARG 365 Ca 0.23 2.19 -0.25 0.00 -0.13 0.00 0.00 55.73 57.76 3iwk s ARG 365 Cb 0.04 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.14 3iwk s ARG 365 CO 0.04 -0.50 1.40 -1.25 -0.81 0.00 0.00 175.30 174.19 3iwk s PRO 366 N 1.07 3.70 0.31 5.12 0.04 -1.26 -4.93 135.00 139.05 3iwk s PRO 366 Ca 0.66 2.37 0.06 0.00 0.04 0.00 0.00 61.00 64.13 3iwk s PRO 366 Cb -0.40 -2.65 0.50 0.00 0.04 0.00 0.00 34.50 32.00 3iwk s PRO 366 CO 0.31 -0.79 1.75 1.49 0.04 0.00 0.00 177.00 179.80 3iwk h GLU 367 N 2.33 0.32 -0.00 4.56 4.81 -2.00 -3.05 114.58 121.56 3iwk h GLU 367 Ca -0.51 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 3iwk h GLU 367 Cb 1.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3iwk h GLU 367 CO 0.61 0.60 0.00 -2.39 -0.73 0.00 0.00 179.01 177.10 3iwk n HIS 368 N -4.11 0.00 -3.72 0.92 1.44 -1.26 -4.50 115.22 103.99 3iwk n HIS 368 Ca -0.01 -0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 3iwk n HIS 368 Cb 0.41 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.37 3iwk n HIS 368 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3iwk s LEU 369 N -1.77 2.27 0.23 2.39 1.43 -1.15 -5.01 118.68 117.07 3iwk s LEU 369 Ca 0.37 -1.77 0.03 0.00 -1.03 0.00 0.00 54.13 51.73 3iwk s LEU 369 Cb 0.17 -0.87 0.25 0.00 0.03 0.00 0.00 46.19 45.76 3iwk s LEU 369 CO 0.29 -0.40 1.57 0.11 0.23 0.00 0.00 176.35 178.15 3iwk h LYS 370 N 7.90 0.30 -5.79 1.70 1.57 -1.82 -3.44 116.57 117.00 3iwk h LYS 370 Ca -0.12 -0.20 -0.58 0.00 -1.87 0.00 0.00 60.65 57.89 3iwk h LYS 370 Cb 1.00 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.20 3iwk h LYS 370 CO 0.47 0.79 -0.67 0.15 -0.57 0.00 0.00 179.45 179.61 3iwk s LYS 371 N -3.85 1.75 0.00 3.15 1.02 -1.26 -5.08 119.74 115.47 3iwk s LYS 371 Ca -0.05 -1.91 0.00 0.00 0.02 0.00 0.00 55.97 54.04 3iwk s LYS 371 Cb 0.12 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 3iwk s LYS 371 CO 0.80 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 3iwk n GLY 372 N -0.74 1.25 2.75 -3.33 0.00 -1.23 -4.80 105.19 99.09 3iwk n GLY 372 Ca -0.05 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3iwk n GLY 372 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iwk n TYR 373 N 1.19 2.67 -3.79 1.61 0.53 -0.60 -4.97 117.16 113.81 3iwk n TYR 373 Ca 0.00 -2.73 -0.35 0.00 -1.02 0.00 0.00 57.90 53.80 3iwk n TYR 373 Cb 0.00 -1.70 -0.08 0.00 -1.03 0.00 0.00 39.34 36.53 3iwk n TYR 373 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3iwk s PHE 374 N -1.17 3.42 -0.06 -0.72 0.40 -1.26 -0.00 117.98 118.59 3iwk s PHE 374 Ca 0.42 0.33 0.04 0.00 -0.60 0.00 0.00 56.93 57.12 3iwk s PHE 374 Cb 0.12 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.54 3iwk s PHE 374 CO -0.02 0.35 -0.17 0.08 0.70 0.00 0.00 175.22 176.16 3iwk s VAL 375 N 0.13 1.45 0.47 -0.44 1.01 -1.26 -4.23 120.40 117.53 3iwk s VAL 375 Ca 0.09 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 3iwk s VAL 375 Cb -0.11 -1.27 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 3iwk s VAL 375 CO -0.01 0.42 1.32 -1.61 0.00 0.00 0.00 175.10 175.23 3iwk s GLU 376 N 0.27 3.60 0.12 2.72 2.02 -0.81 -4.92 118.70 121.70 3iwk s GLU 376 Ca -0.09 2.17 -0.35 0.00 0.02 0.00 0.00 54.97 56.72 3iwk s GLU 376 Cb -0.14 -2.51 -0.14 0.00 0.10 0.00 0.00 34.13 31.43 3iwk s GLU 376 CO 0.04 -0.80 1.55 -2.30 0.02 0.00 0.00 175.26 173.77 3iwk n PRO 377 N -0.42 1.93 -4.67 0.39 -0.02 -1.26 -3.86 135.00 127.08 3iwk n PRO 377 Ca 0.07 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.91 3iwk n PRO 377 Cb 0.44 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 3iwk n PRO 377 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iwk s THR 378 N 1.05 2.71 -0.11 3.45 2.01 0.62 -3.53 115.64 121.82 3iwk s THR 378 Ca 0.81 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 62.06 3iwk s THR 378 Cb -0.74 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 3iwk s THR 378 CO 0.41 0.52 -0.16 -0.63 -0.69 0.00 0.00 174.62 174.07 3iwk s ILE 379 N 0.64 2.82 -0.11 1.82 1.01 -0.98 0.06 121.20 126.45 3iwk s ILE 379 Ca -0.08 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.84 3iwk s ILE 379 Cb -0.16 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3iwk s ILE 379 CO 0.03 0.54 -0.20 -0.63 0.00 0.00 0.00 174.94 174.68 3iwk s ILE 380 N 0.24 1.79 0.24 2.92 1.01 0.11 -1.02 121.20 126.50 3iwk s ILE 380 Ca -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3iwk s ILE 380 Cb -0.16 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 3iwk s ILE 380 CO 0.06 0.50 0.04 1.07 0.00 0.00 0.00 174.94 176.61 3iwk n THR 381 N 3.88 0.00 -3.82 2.92 5.66 -0.16 -0.36 114.28 122.40 3iwk n THR 381 Ca -0.20 -1.28 -0.24 0.00 -3.05 0.00 0.00 64.05 59.28 3iwk n THR 381 Cb 0.52 0.37 0.02 0.00 -1.55 0.00 0.00 70.33 69.68 3iwk n THR 381 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3iwk n ASP 382 N -1.50 -1.68 -4.76 1.09 10.43 -1.26 -0.36 116.55 118.51 3iwk n ASP 382 Ca -0.07 -0.87 -0.38 0.00 2.57 0.00 0.00 54.79 56.04 3iwk n ASP 382 Cb 0.33 -3.73 -0.06 0.00 1.84 0.00 0.00 41.12 39.50 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iwk s VAL 383 N -3.66 5.04 0.06 2.53 1.01 -1.26 -4.40 120.40 119.72 3iwk s VAL 383 Ca 0.15 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.24 3iwk s VAL 383 Cb -0.08 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3iwk s VAL 383 CO 0.84 0.41 -0.09 -0.89 0.00 0.00 0.00 175.10 175.37 3iwk s THR 384 N -0.02 3.46 -0.06 3.92 2.01 -1.26 -4.89 115.64 118.80 3iwk s THR 384 Ca 0.28 -1.06 0.29 0.00 0.31 0.00 0.00 61.69 61.51 3iwk s THR 384 Cb -0.17 -2.56 0.31 0.00 0.01 0.00 0.00 72.50 70.09 3iwk s THR 384 CO 0.14 0.24 1.88 0.00 -0.69 0.00 0.00 174.62 176.18 3iwk h THR 385 N 3.47 0.00 -0.01 -0.82 1.03 -2.00 -1.12 112.91 113.46 3iwk h THR 385 Ca -0.48 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 3iwk h THR 385 Cb 1.17 0.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 3iwk h THR 385 CO 0.53 0.00 -0.18 -1.54 -0.01 0.00 0.00 175.52 174.32 3iwk n SER 386 N -2.57 1.62 -4.78 0.00 3.41 -1.26 -4.74 113.62 105.31 3iwk n SER 386 Ca -0.00 -1.34 -0.37 0.00 -0.26 0.00 0.00 58.87 56.90 3iwk n SER 386 Cb 0.15 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 3iwk n SER 386 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3iwk s MET 387 N -2.27 3.86 0.36 4.33 1.00 -0.43 -4.94 119.30 121.21 3iwk s MET 387 Ca 0.28 1.66 0.06 0.00 0.00 0.00 0.00 55.69 57.69 3iwk s MET 387 Cb 0.20 -2.40 0.75 0.00 0.00 0.00 0.00 34.83 33.37 3iwk s MET 387 CO 0.44 -0.44 1.95 0.37 0.00 0.00 0.00 175.02 177.34 3iwk h GLN 388 N 2.10 0.73 -0.19 2.03 4.15 -1.92 -2.59 115.11 119.43 3iwk h GLN 388 Ca -0.49 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 58.84 3iwk h GLN 388 Cb 1.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 3iwk h GLN 388 CO 0.61 0.49 -0.08 0.97 -1.93 0.00 0.00 178.83 178.88 3iwk h ILE 389 N 0.76 1.16 -0.02 2.39 6.09 -1.90 0.15 117.51 126.15 3iwk h ILE 389 Ca 0.33 -0.69 -0.15 0.00 -1.37 0.00 0.00 64.86 62.97 3iwk h ILE 389 Cb 0.32 1.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.70 3iwk h ILE 389 CO -0.12 0.22 -0.70 -0.25 -3.07 0.00 0.00 178.15 174.23 3iwk h TRP 390 N 0.27 0.14 0.01 2.19 2.91 -1.74 -3.38 115.95 116.35 3iwk h TRP 390 Ca 0.06 -0.06 -0.23 0.00 1.13 0.00 0.00 58.89 59.78 3iwk h TRP 390 Cb 0.31 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 3iwk h TRP 390 CO 0.01 0.77 -1.28 -0.09 -1.03 0.00 0.00 178.44 176.82 3iwk h ARG 391 N 0.07 0.02 -5.34 2.65 2.43 -1.14 -3.48 114.38 109.58 3iwk h ARG 391 Ca -0.01 -0.04 -0.63 0.00 -0.81 0.00 0.00 59.98 58.49 3iwk h ARG 391 Cb 1.24 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.63 3iwk h ARG 391 CO 0.10 1.02 -0.61 -1.21 -1.51 0.00 0.00 179.97 177.76 3iwk s GLU 392 N -2.37 3.77 0.08 0.20 2.02 0.45 -4.96 118.70 117.89 3iwk s GLU 392 Ca -0.28 -0.42 -0.34 0.00 0.02 0.00 0.00 54.97 53.95 3iwk s GLU 392 Cb 0.06 -3.06 -0.13 0.00 0.10 0.00 0.00 34.13 31.10 3iwk s GLU 392 CO 0.61 0.30 1.67 -1.91 0.02 0.00 0.00 175.26 175.95 3iwk n GLU 393 N 3.41 2.15 -0.04 1.61 2.13 -1.26 -4.80 120.64 123.83 3iwk n GLU 393 Ca -0.17 0.78 -0.21 0.00 0.66 0.00 0.00 57.16 58.22 3iwk n GLU 393 Cb 0.52 -2.57 -0.13 0.00 0.27 0.00 0.00 31.44 29.53 3iwk n GLU 393 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3iwk h VAL 394 N 4.21 1.01 -5.44 6.31 2.07 -1.93 -3.49 116.25 118.99 3iwk h VAL 394 Ca -0.46 -2.30 -0.35 0.00 0.82 0.00 0.00 66.70 64.41 3iwk h VAL 394 Cb 1.26 2.56 0.14 0.00 -1.52 0.00 0.00 31.29 33.73 3iwk h VAL 394 CO 0.91 0.56 -0.65 0.49 0.02 0.00 0.00 177.57 178.90 3iwk n PHE 395 N -4.14 -2.51 -4.05 1.57 3.01 -1.26 -4.68 117.46 105.40 3iwk n PHE 395 Ca -0.27 0.92 -0.10 0.00 1.01 0.00 0.00 57.45 59.01 3iwk n PHE 395 Cb 0.79 -4.75 -0.07 0.00 -0.01 0.00 0.00 39.48 35.43 3iwk n PHE 395 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3iwk s GLY 396 N -3.53 0.80 -1.13 1.37 0.00 -1.20 -4.59 107.32 99.05 3iwk s GLY 396 Ca 0.41 -1.13 -0.16 0.00 0.00 0.00 0.00 44.72 43.83 3iwk s GLY 396 CO 0.67 -0.91 2.14 -1.55 0.00 0.00 0.00 173.10 173.46 3iwk n PRO 397 N -0.31 2.26 -3.87 2.90 -0.04 -1.18 -4.50 135.00 130.26 3iwk n PRO 397 Ca -0.02 -2.14 -0.26 0.00 -0.04 0.00 0.00 63.50 61.04 3iwk n PRO 397 Cb 0.63 -3.02 -0.17 0.00 -0.04 0.00 0.00 33.50 30.91 3iwk n PRO 397 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iwk s VAL 398 N 3.92 0.86 -0.12 0.52 1.01 -1.26 -0.28 120.40 125.05 3iwk s VAL 398 Ca 0.52 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 3iwk s VAL 398 Cb 0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3iwk s VAL 398 CO 0.01 0.30 -0.11 -0.22 0.00 0.00 0.00 175.10 175.08 3iwk s LEU 399 N 1.77 2.86 -0.16 3.92 2.96 0.11 -4.88 118.68 125.25 3iwk s LEU 399 Ca 0.04 -0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3iwk s LEU 399 Cb -0.13 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3iwk s LEU 399 CO -0.07 0.20 0.04 0.00 -1.32 0.00 0.00 176.35 175.19 3iwk s ALA 400 N 0.14 3.33 -0.15 5.97 0.00 -0.43 0.06 121.76 130.67 3iwk s ALA 400 Ca -0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 3iwk s ALA 400 Cb -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 3iwk s ALA 400 CO 0.04 0.25 -0.07 0.08 0.00 0.00 0.00 175.76 176.07 3iwk s VAL 401 N 0.16 3.54 0.22 0.00 1.01 0.51 -0.71 120.40 125.14 3iwk s VAL 401 Ca 0.03 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3iwk s VAL 401 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3iwk s VAL 401 CO 0.01 0.50 -0.08 -0.54 0.00 0.00 0.00 175.10 174.98 3iwk s LYS 402 N 0.47 1.34 0.22 2.72 1.02 0.54 -4.03 119.74 122.03 3iwk s LYS 402 Ca -0.06 -1.64 0.11 0.00 0.02 0.00 0.00 55.97 54.41 3iwk s LYS 402 Cb -0.15 -0.93 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 3iwk s LYS 402 CO 0.03 0.06 -0.21 -0.08 -0.92 0.00 0.00 175.35 174.24 3iwk s THR 403 N -3.15 2.51 0.04 2.17 -1.32 -1.26 -1.48 115.64 113.15 3iwk s THR 403 Ca 0.25 -2.09 -0.01 0.00 -1.21 0.00 0.00 61.69 58.63 3iwk s THR 403 Cb 0.02 -2.24 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 3iwk s THR 403 CO 0.07 -0.20 -0.02 0.72 -2.21 0.00 0.00 174.62 172.98 3iwk s PHE 404 N -1.91 0.40 -0.03 9.09 -0.12 -0.55 -4.85 117.98 120.01 3iwk s PHE 404 Ca 0.24 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.37 3iwk s PHE 404 Cb -0.07 -0.30 -0.12 0.00 -0.63 0.00 0.00 43.02 41.91 3iwk s PHE 404 CO 0.12 -0.31 0.13 -1.13 -0.05 0.00 0.00 175.22 173.98 3iwk n SER 405 N 0.72 3.13 -4.23 1.98 3.41 -1.26 -0.74 113.62 116.63 3iwk n SER 405 Ca -0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.26 3iwk n SER 405 Cb 0.59 1.14 -0.11 0.00 -0.26 0.00 0.00 64.21 65.56 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iwk s THR 406 N -2.43 1.25 0.17 6.66 -4.23 -1.26 -4.97 115.64 110.82 3iwk s THR 406 Ca -0.03 -1.73 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 3iwk s THR 406 Cb 0.04 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.41 3iwk s THR 406 CO 0.33 -0.47 1.79 -0.08 -0.54 0.00 0.00 174.62 175.65 3iwk h GLU 407 N 3.46 0.48 -0.79 3.99 4.81 -1.99 -0.94 114.58 123.61 3iwk h GLU 407 Ca -0.39 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.91 3iwk h GLU 407 Cb 1.19 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 3iwk h GLU 407 CO 0.52 0.32 0.43 1.49 -0.73 0.00 0.00 179.01 181.04 3iwk h GLU 408 N 0.49 0.69 -0.55 1.92 4.81 -2.00 -0.80 114.58 119.14 3iwk h GLU 408 Ca 0.20 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3iwk h GLU 408 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3iwk h GLU 408 CO -0.12 0.45 0.13 1.49 -0.73 0.00 0.00 179.01 180.23 3iwk h GLU 409 N 0.71 0.89 -0.18 1.92 4.81 -1.86 -2.11 114.58 118.76 3iwk h GLU 409 Ca 0.39 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3iwk h GLU 409 Cb 0.40 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3iwk h GLU 409 CO -0.27 0.84 -0.05 0.00 -0.73 0.00 0.00 179.01 178.80 3iwk h ALA 410 N 1.01 0.11 -0.60 2.92 0.00 -0.04 -0.35 119.26 122.32 3iwk h ALA 410 Ca 0.17 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3iwk h ALA 410 Cb 0.35 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3iwk h ALA 410 CO 0.00 -0.48 -0.02 -0.84 0.00 0.00 0.00 179.25 177.91 3iwk h ILE 411 N -0.01 1.27 -0.46 0.00 -2.65 -1.13 -0.64 117.51 113.89 3iwk h ILE 411 Ca 0.09 -1.18 -0.03 0.00 1.03 0.00 0.00 64.86 64.77 3iwk h ILE 411 Cb 0.14 0.82 -0.02 0.00 -2.05 0.00 0.00 36.82 35.71 3iwk h ILE 411 CO -0.19 0.43 0.16 0.78 0.03 0.00 0.00 178.15 179.35 3iwk h ASN 412 N 0.97 0.60 -0.36 2.16 2.35 -1.10 -0.02 115.58 120.17 3iwk h ASN 412 Ca 0.17 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 3iwk h ASN 412 Cb 0.58 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 3iwk h ASN 412 CO 0.03 0.56 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.89 3iwk h LEU 413 N 0.65 1.00 -0.84 1.61 3.38 -0.81 -2.78 115.31 117.52 3iwk h LEU 413 Ca 0.16 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3iwk h LEU 413 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3iwk h LEU 413 CO -0.01 1.28 0.19 0.00 0.09 0.00 0.00 178.44 179.99 3iwk h ALA 414 N 0.75 1.06 -0.25 1.53 0.00 -0.36 -2.57 119.26 119.42 3iwk h ALA 414 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3iwk h ALA 414 Cb 1.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3iwk h ALA 414 CO 0.10 0.63 0.00 0.09 0.00 0.00 0.00 179.25 180.07 3iwk n ASN 415 N -4.25 1.69 -3.71 0.00 3.02 -0.09 -4.63 115.26 107.29 3iwk n ASN 415 Ca 0.05 -1.84 -0.42 0.00 -0.03 0.00 0.00 54.58 52.34 3iwk n ASN 415 Cb 0.23 -0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3iwk n ASN 415 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iwk n ASP 416 N 0.38 5.06 -3.58 6.41 2.03 -0.97 -4.80 116.55 121.08 3iwk n ASP 416 Ca 0.14 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.41 3iwk n ASP 416 Cb 0.30 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.07 3iwk n ASP 416 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3iwk s THR 417 N 1.89 0.00 -0.70 5.18 -1.32 -1.26 -4.99 115.64 114.44 3iwk s THR 417 Ca 0.47 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.21 3iwk s THR 417 Cb 0.13 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.41 3iwk s THR 417 CO -0.06 0.00 1.77 1.41 -2.21 0.00 0.00 174.62 175.53 3iwk n HIS 418 N 1.12 0.93 -1.65 9.09 8.25 -1.26 -4.85 115.22 126.85 3iwk n HIS 418 Ca -0.12 0.28 -0.29 0.00 -0.26 0.00 0.00 57.72 57.33 3iwk n HIS 418 Cb 0.57 -0.96 0.11 0.00 1.12 0.00 0.00 29.99 30.84 3iwk n HIS 418 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iwk s TYR 419 N -3.12 2.72 -0.37 4.41 4.12 -1.26 -0.95 117.35 122.90 3iwk s TYR 419 Ca 0.10 0.88 0.05 0.00 0.02 0.00 0.00 57.07 58.12 3iwk s TYR 419 Cb 0.12 -3.36 0.26 0.00 -1.52 0.00 0.00 41.96 37.46 3iwk s TYR 419 CO 0.58 -2.06 1.23 0.41 0.02 0.00 0.00 175.55 175.73 3iwk n GLY 420 N -2.53 -0.08 0.00 0.71 0.00 -1.19 -4.73 105.19 97.37 3iwk n GLY 420 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3iwk n GLY 420 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 421 N -0.16 1.02 -4.85 0.99 7.94 -1.26 -0.11 117.00 120.56 3iwk n LEU 421 Ca -0.10 0.04 -0.25 0.00 -1.11 0.00 0.00 56.01 54.59 3iwk n LEU 421 Cb 0.74 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.56 3iwk n LEU 421 CO -0.07 -0.10 -0.03 -0.83 -1.11 0.00 0.00 177.39 175.25 3iwk s GLY 422 N -1.32 2.37 -0.19 -3.96 0.00 -1.26 -0.79 107.32 102.17 3iwk s GLY 422 Ca 0.00 -1.51 -0.31 0.00 0.00 0.00 0.00 44.72 42.89 3iwk s GLY 422 CO 0.00 -1.91 1.15 -1.35 0.00 0.00 0.00 173.10 170.99 3iwk s SER 423 N -4.14 -0.21 0.00 1.64 1.04 -0.52 -4.21 113.70 107.30 3iwk s SER 423 Ca 0.36 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.94 3iwk s SER 423 Cb -0.01 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 3iwk s SER 423 CO 0.21 -0.25 -0.03 0.00 0.98 0.00 0.00 173.24 174.16 3iwk s ALA 424 N -1.67 0.20 -0.13 5.32 0.00 -0.41 -0.32 121.76 124.75 3iwk s ALA 424 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3iwk s ALA 424 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3iwk s ALA 424 CO -0.04 0.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.68 3iwk s VAL 425 N -0.22 2.86 -0.32 0.00 1.01 0.26 -0.12 120.40 123.86 3iwk s VAL 425 Ca -0.01 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3iwk s VAL 425 Cb -0.02 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.25 3iwk s VAL 425 CO -0.00 0.53 0.02 -0.04 0.00 0.00 0.00 175.10 175.60 3iwk s MET 426 N 0.44 1.88 -0.08 2.72 -1.94 0.30 -0.03 119.30 122.60 3iwk s MET 426 Ca -0.11 -1.65 -0.30 0.00 -1.71 0.00 0.00 55.69 51.92 3iwk s MET 426 Cb -0.16 -3.16 0.07 0.00 2.01 0.00 0.00 34.83 33.59 3iwk s MET 426 CO 0.05 -0.81 0.70 -1.54 -0.01 0.00 0.00 175.02 173.41 3iwk s SER 427 N 1.12 -0.66 0.30 3.03 1.04 -1.26 -1.52 113.70 115.75 3iwk s SER 427 Ca 0.03 0.79 0.13 0.00 0.48 0.00 0.00 55.95 57.37 3iwk s SER 427 Cb -0.20 0.63 0.42 0.00 0.10 0.00 0.00 66.02 66.97 3iwk s SER 427 CO -0.06 -0.56 1.63 0.78 0.98 0.00 0.00 173.24 176.02 3iwk h ASN 428 N 3.20 0.00 -2.01 7.02 2.35 -1.80 -3.41 115.58 120.94 3iwk h ASN 428 Ca -0.27 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.97 3iwk h ASN 428 Cb 1.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.49 3iwk h ASN 428 CO 0.35 0.56 1.43 -0.62 -1.65 0.00 0.00 177.43 177.50 3iwk s ASP 429 N -6.72 5.16 0.38 5.81 2.15 -1.26 -4.83 116.67 117.36 3iwk s ASP 429 Ca -0.01 0.80 0.19 0.00 0.43 0.00 0.00 52.55 53.97 3iwk s ASP 429 Cb 0.12 -2.52 0.72 0.00 -0.30 0.00 0.00 42.92 40.94 3iwk s ASP 429 CO 0.74 -2.38 1.75 -0.07 -0.17 0.00 0.00 175.17 175.05 3iwk h LEU 430 N 16.75 0.00 -0.78 -1.34 3.38 -2.00 -2.44 115.31 128.88 3iwk h LEU 430 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3iwk h LEU 430 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3iwk h LEU 430 CO 1.15 0.35 0.32 -0.08 0.09 0.00 0.00 178.44 180.28 3iwk h GLU 431 N 0.00 1.16 -0.37 1.13 4.81 -1.96 -1.91 114.58 117.44 3iwk h GLU 431 Ca -0.00 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 3iwk h GLU 431 Cb 0.86 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3iwk h GLU 431 CO 0.05 0.93 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.99 3iwk h ARG 432 N 1.12 0.77 -0.40 1.92 2.43 -1.88 -2.82 114.38 115.51 3iwk h ARG 432 Ca 0.26 -0.33 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3iwk h ARG 432 Cb 0.20 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3iwk h ARG 432 CO -0.02 0.95 0.14 0.00 -1.51 0.00 0.00 179.97 179.53 3iwk h GLU 434 N 0.30 0.77 -0.40 0.00 4.81 -1.34 0.92 114.58 119.65 3iwk h GLU 434 Ca 0.19 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3iwk h GLU 434 Cb 0.17 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 3iwk h GLU 434 CO -0.19 0.53 0.05 -0.09 -0.73 0.00 0.00 179.01 178.58 3iwk h ARG 435 N 0.78 0.16 -0.06 1.92 2.43 -1.22 -2.64 114.38 115.76 3iwk h ARG 435 Ca 0.21 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 3iwk h ARG 435 Cb -0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3iwk h ARG 435 CO -0.04 0.11 -0.60 -0.07 -1.51 0.00 0.00 179.97 177.85 3iwk h LEU 436 N 0.17 0.23 -1.59 3.80 4.07 -0.70 -2.81 115.31 118.48 3iwk h LEU 436 Ca 0.19 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 3iwk h LEU 436 Cb 0.25 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3iwk h LEU 436 CO -0.28 0.78 -0.20 0.77 -1.08 0.00 0.00 178.44 178.43 3iwk h SER 437 N 0.15 0.00 0.98 -0.43 4.64 -0.66 -1.29 113.55 116.95 3iwk h SER 437 Ca -0.01 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3iwk h SER 437 Cb 1.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3iwk h SER 437 CO 0.09 0.21 -0.85 0.11 -0.87 0.00 0.00 176.83 175.52 3iwk h LYS 438 N 0.00 0.00 0.00 4.77 1.57 -1.30 -3.36 116.57 118.26 3iwk h LYS 438 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3iwk h LYS 438 Cb 0.36 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3iwk h LYS 438 CO 0.03 0.85 -1.39 0.00 -0.57 0.00 0.00 179.45 178.36 3iwk h ALA 439 N 1.15 0.66 -2.34 3.86 0.00 -1.20 -3.46 119.26 117.94 3iwk h ALA 439 Ca -0.01 -1.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.28 3iwk h ALA 439 Cb 1.57 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 3iwk h ALA 439 CO 0.11 1.22 0.87 -0.51 0.00 0.00 0.00 179.25 180.94 3iwk s LEU 440 N -6.10 4.31 -1.10 0.00 1.43 -0.53 -4.94 118.68 111.76 3iwk s LEU 440 Ca -0.02 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 3iwk s LEU 440 Cb 0.08 -3.56 0.12 0.00 0.03 0.00 0.00 46.19 42.87 3iwk s LEU 440 CO 0.81 -0.75 1.39 -1.10 0.23 0.00 0.00 176.35 176.93 3iwk s GLN 441 N 2.70 3.82 0.14 1.70 -0.21 -1.26 -4.91 119.66 121.63 3iwk s GLN 441 Ca 0.64 -1.93 -0.15 0.00 0.02 0.00 0.00 55.36 53.94 3iwk s GLN 441 Cb -0.31 -5.15 0.03 0.00 1.00 0.00 0.00 33.01 28.57 3iwk s GLN 441 CO 0.26 -1.94 0.40 0.00 -2.12 0.00 0.00 175.29 171.89 3iwk s ALA 442 N 3.05 -0.77 0.06 6.09 0.00 -1.26 -4.53 121.76 124.40 3iwk s ALA 442 Ca 0.42 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 3iwk s ALA 442 Cb -0.02 0.74 -0.30 0.00 0.00 0.00 0.00 23.12 23.54 3iwk s ALA 442 CO -0.04 -0.67 1.11 0.78 0.00 0.00 0.00 175.76 176.93 3iwk h GLY 443 N 2.37 0.40 -5.13 0.00 0.00 -0.63 -3.46 103.07 96.62 3iwk h GLY 443 Ca -0.32 -1.01 -0.68 0.00 0.00 0.00 0.00 47.33 45.32 3iwk h GLY 443 CO 0.45 0.88 -0.81 -0.42 0.00 0.00 0.00 176.54 176.65 3iwk s ILE 444 N -2.64 2.70 -0.17 2.60 -1.09 -0.16 -4.80 121.20 117.64 3iwk s ILE 444 Ca -0.05 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 3iwk s ILE 444 Cb 0.06 -2.06 0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3iwk s ILE 444 CO 0.90 0.56 -0.12 -0.69 -1.23 0.00 0.00 174.94 174.37 3iwk s VAL 445 N -0.22 1.52 -0.09 2.92 1.01 -1.26 -1.44 120.40 122.83 3iwk s VAL 445 Ca -0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 3iwk s VAL 445 Cb -0.13 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3iwk s VAL 445 CO 0.03 0.32 0.37 0.26 0.00 0.00 0.00 175.10 176.08 3iwk s TRP 446 N 1.48 3.57 -0.23 5.22 0.51 0.56 -4.99 118.94 125.06 3iwk s TRP 446 Ca 0.02 0.80 -0.06 0.00 -2.12 0.00 0.00 56.10 54.74 3iwk s TRP 446 Cb -0.14 -2.35 -0.02 0.00 -0.81 0.00 0.00 33.47 30.14 3iwk s TRP 446 CO -0.09 0.39 0.03 0.42 -0.51 0.00 0.00 176.95 177.19 3iwk s ILE 447 N -0.10 4.06 -1.70 2.03 1.01 -1.26 -0.57 121.20 124.67 3iwk s ILE 447 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3iwk s ILE 447 Cb -0.15 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3iwk s ILE 447 CO 0.09 0.38 0.00 0.59 0.00 0.00 0.00 174.94 175.99 3iwk n ASN 448 N 4.73 -5.18 -2.94 3.58 3.02 0.96 -4.92 115.26 114.51 3iwk n ASN 448 Ca -0.17 0.40 -0.11 0.00 -0.03 0.00 0.00 54.58 54.67 3iwk n ASN 448 Cb 0.51 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3iwk n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwk s ALA 450 N -2.42 -1.11 0.00 0.00 0.00 -1.26 -4.68 121.76 112.29 3iwk s ALA 450 Ca 0.21 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3iwk s ALA 450 Cb -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3iwk s ALA 450 CO 0.15 -0.53 0.00 1.04 0.00 0.00 0.00 175.76 176.42 3iwk n GLN 451 N 4.88 0.00 -1.82 0.00 1.13 -1.26 -4.39 117.38 115.92 3iwk n GLN 451 Ca -0.15 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.49 3iwk n GLN 451 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 3iwk n GLN 451 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3iwk s PRO 452 N -0.72 4.17 -0.35 -1.09 0.04 -1.26 -4.97 135.00 130.81 3iwk s PRO 452 Ca 0.00 2.48 0.01 0.00 0.04 0.00 0.00 61.00 63.53 3iwk s PRO 452 Cb 0.00 -3.42 0.10 0.00 0.04 0.00 0.00 34.50 31.21 3iwk s PRO 452 CO 0.00 -0.75 0.08 -1.54 0.04 0.00 0.00 177.00 174.83 3iwk s SER 453 N 2.07 4.92 0.12 6.66 1.04 -1.26 -5.10 113.70 122.16 3iwk s SER 453 Ca 0.76 -1.96 -0.26 0.00 0.48 0.00 0.00 55.95 54.96 3iwk s SER 453 Cb -0.44 -1.70 -0.07 0.00 0.10 0.00 0.00 66.02 63.91 3iwk s SER 453 CO 0.33 -0.41 0.81 -0.36 0.98 0.00 0.00 173.24 174.59 3iwk s PHE 454 N 1.04 3.85 -1.13 5.02 0.40 -1.26 -4.96 117.98 120.92 3iwk s PHE 454 Ca 0.07 1.62 0.13 0.00 -0.60 0.00 0.00 56.93 58.15 3iwk s PHE 454 Cb -0.20 -2.84 0.60 0.00 0.51 0.00 0.00 43.02 41.09 3iwk s PHE 454 CO -0.06 0.39 1.40 0.44 0.70 0.00 0.00 175.22 178.09 3iwk n ILE 455 N 2.14 0.95 0.43 0.64 -0.00 -1.26 -1.93 119.36 120.34 3iwk n ILE 455 Ca -0.03 0.24 0.13 0.00 -0.00 0.00 0.00 62.75 63.08 3iwk n ILE 455 Cb 0.49 -1.01 0.30 0.00 -0.00 0.00 0.00 39.64 39.42 3iwk n ILE 455 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3iwk h GLN 456 N 0.00 0.00 -5.62 6.28 7.50 -1.93 0.66 115.11 121.99 3iwk h GLN 456 Ca 0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 3iwk h GLN 456 Cb 0.19 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 27.48 3iwk h GLN 456 CO 0.00 0.00 -0.74 0.00 -1.50 0.00 0.00 178.83 176.59 3iwk s ALA 457 N -3.16 2.75 0.33 3.87 0.00 -0.81 -4.29 121.76 120.46 3iwk s ALA 457 Ca 0.09 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3iwk s ALA 457 Cb 0.09 -1.23 -0.11 0.00 0.00 0.00 0.00 23.12 21.86 3iwk s ALA 457 CO 0.63 0.35 1.54 -0.35 0.00 0.00 0.00 175.76 177.93 3iwk n PRO 458 N 3.11 2.68 -4.28 0.00 -0.04 -1.26 -4.29 135.00 130.93 3iwk n PRO 458 Ca -0.18 0.95 -0.23 0.00 -0.04 0.00 0.00 63.50 64.00 3iwk n PRO 458 Cb 0.53 -2.70 -0.17 0.00 -0.04 0.00 0.00 33.50 31.12 3iwk n PRO 458 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3iwk s TRP 459 N -0.55 1.09 0.00 0.54 -0.11 0.23 -4.95 118.94 115.20 3iwk s TRP 459 Ca 0.59 -0.39 0.00 0.00 1.22 0.00 0.00 56.10 57.52 3iwk s TRP 459 Cb -0.49 -0.89 0.00 0.00 -1.50 0.00 0.00 33.47 30.60 3iwk s TRP 459 CO 0.56 -0.27 0.00 0.41 -4.62 0.00 0.00 176.95 173.03 3iwk n GLY 460 N 4.11 -0.45 3.64 5.86 0.00 -1.26 -0.59 105.19 116.50 3iwk n GLY 460 Ca -0.22 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3iwk n GLY 460 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 461 N 0.00 2.58 0.48 -0.02 0.00 -1.26 -3.86 107.32 105.25 3iwk s GLY 461 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 44.72 42.80 3iwk s GLY 461 CO 0.00 -2.10 0.07 -0.26 0.00 0.00 0.00 173.10 170.81 3iwk s ILE 462 N -2.77 1.51 0.00 0.90 -4.36 0.84 -4.14 121.20 113.18 3iwk s ILE 462 Ca 0.30 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3iwk s ILE 462 Cb 0.08 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3iwk s ILE 462 CO 0.15 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.62 3iwk n LYS 463 N -1.26 0.00 0.00 0.37 5.02 -1.26 -2.06 118.16 118.98 3iwk n LYS 463 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.23 3iwk n LYS 463 Cb 0.66 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 36.08 3iwk n LYS 463 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iwk n ARG 464 N 9.42 0.61 0.00 1.97 5.12 -0.12 -1.83 116.66 131.82 3iwk n ARG 464 Ca 0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 3iwk n ARG 464 Cb 0.00 -1.35 0.71 0.00 -1.16 0.00 0.00 32.46 30.66 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3iwk n SER 465 N -0.85 0.61 0.00 0.55 7.64 -0.87 -4.68 113.62 116.01 3iwk n SER 465 Ca 0.10 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.98 3iwk n SER 465 Cb 0.05 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3iwk n SER 465 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iwk n GLY 466 N 1.15 -1.57 3.57 0.23 0.00 -0.76 -1.63 105.19 106.17 3iwk n GLY 466 Ca 0.19 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 3iwk n GLY 466 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iwk s PHE 467 N 0.00 0.43 0.00 1.61 -0.71 -0.85 -3.82 117.98 114.64 3iwk s PHE 467 Ca 0.00 -0.78 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 3iwk s PHE 467 Cb 0.00 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 3iwk s PHE 467 CO 0.00 -0.99 0.00 0.41 -1.34 0.00 0.00 175.22 173.30 3iwk n GLY 468 N -0.39 -0.78 3.15 1.99 0.00 -1.26 -1.70 105.19 106.21 3iwk n GLY 468 Ca -0.01 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 3iwk n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwk s ARG 469 N -3.43 2.00 0.48 1.61 1.81 -1.26 -4.35 118.95 115.81 3iwk s ARG 469 Ca 0.00 -0.66 0.08 0.00 -1.72 0.00 0.00 55.73 53.43 3iwk s ARG 469 Cb 0.00 -1.70 0.03 0.00 -0.45 0.00 0.00 34.95 32.84 3iwk s ARG 469 CO 0.00 0.24 0.61 -1.21 -0.68 0.00 0.00 175.30 174.26 3iwk s GLU 470 N 0.09 2.58 0.38 3.54 2.02 0.24 -3.76 118.70 123.79 3iwk s GLU 470 Ca -0.06 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.47 3iwk s GLU 470 Cb -0.13 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.47 3iwk s GLU 470 CO 0.03 -0.48 0.00 1.28 0.02 0.00 0.00 175.26 176.11 3iwk n LEU 471 N -1.94 -0.66 0.00 1.80 4.77 -1.26 -0.60 117.00 119.11 3iwk n LEU 471 Ca 0.09 1.53 0.00 0.00 -0.03 0.00 0.00 56.01 57.61 3iwk n LEU 471 Cb 0.61 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 3iwk n LEU 471 CO 0.40 -1.91 0.00 0.61 -1.33 0.00 0.00 177.39 175.16 3iwk n GLY 472 N -3.74 0.97 0.24 -0.72 0.00 0.23 -0.10 105.19 102.07 3iwk n GLY 472 Ca -0.04 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.48 3iwk n GLY 472 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwk h GLU 473 N 0.00 0.00 -0.44 1.61 5.08 -1.86 -3.12 114.58 115.85 3iwk h GLU 473 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3iwk h GLU 473 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3iwk h GLU 473 CO 0.00 0.01 -0.07 -1.49 -1.00 0.00 0.00 179.01 176.46 3iwk h TRP 474 N 0.00 0.82 -0.76 4.33 6.55 -1.84 -2.22 115.95 122.83 3iwk h TRP 474 Ca -0.00 -0.13 -0.03 0.00 0.95 0.00 0.00 58.89 59.68 3iwk h TRP 474 Cb 0.80 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 28.85 3iwk h TRP 474 CO 0.00 0.80 0.35 0.78 -1.05 0.00 0.00 178.44 179.31 3iwk h GLY 475 N 0.97 1.17 0.74 1.49 0.00 -0.44 -1.84 103.07 105.17 3iwk h GLY 475 Ca 0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3iwk h GLY 475 CO 0.03 0.55 -0.05 -2.00 0.00 0.00 0.00 176.54 175.08 3iwk h LEU 476 N 1.08 0.28 -1.51 3.11 5.85 -1.61 -3.18 115.31 119.33 3iwk h LEU 476 Ca 0.26 -0.39 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3iwk h LEU 476 Cb 0.13 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3iwk h LEU 476 CO -0.03 0.61 0.46 -0.33 -0.34 0.00 0.00 178.44 178.81 3iwk h GLU 477 N -0.04 0.52 0.00 1.25 4.39 -1.17 -0.71 114.58 118.82 3iwk h GLU 477 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iwk h GLU 477 Cb 0.49 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3iwk h GLU 477 CO 0.02 0.35 0.36 -0.97 -1.16 0.00 0.00 179.01 177.61 3iwk h ASN 478 N 0.54 0.00 0.00 1.42 -1.24 -1.31 -0.25 115.58 114.74 3iwk h ASN 478 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.33 3iwk h ASN 478 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 3iwk h ASN 478 CO -0.11 0.00 -0.00 -1.22 -1.29 0.00 0.00 177.43 174.81 3iwk n TYR 479 N -2.40 0.00 -4.27 0.67 4.02 -0.28 -5.01 117.16 109.90 3iwk n TYR 479 Ca -0.01 -0.42 -0.26 0.00 -0.01 0.00 0.00 57.90 57.19 3iwk n TYR 479 Cb 0.39 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.58 3iwk n TYR 479 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iwk s LEU 480 N -0.87 3.08 0.11 7.72 1.43 -0.10 -1.16 118.68 128.89 3iwk s LEU 480 Ca 0.01 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 3iwk s LEU 480 Cb 0.01 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3iwk s LEU 480 CO 0.00 0.09 -0.27 -0.94 0.23 0.00 0.00 176.35 175.47 3iwk s SER 481 N -2.91 3.30 -0.09 2.29 1.04 0.92 -4.76 113.70 113.48 3iwk s SER 481 Ca 0.26 -0.71 -0.20 0.00 0.48 0.00 0.00 55.95 55.78 3iwk s SER 481 Cb -0.09 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 3iwk s SER 481 CO 0.16 0.20 0.54 -0.69 0.98 0.00 0.00 173.24 174.44 3iwk s VAL 482 N -1.00 5.12 -0.17 5.02 1.01 -1.26 -1.94 120.40 127.18 3iwk s VAL 482 Ca 0.14 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.22 3iwk s VAL 482 Cb -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3iwk s VAL 482 CO 0.05 0.33 -0.15 -0.75 0.00 0.00 0.00 175.10 174.58 3iwk s LYS 483 N 0.53 3.21 -0.31 2.72 2.20 -0.35 -4.99 119.74 122.74 3iwk s LYS 483 Ca 0.29 -0.74 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 3iwk s LYS 483 Cb -0.16 -2.66 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 3iwk s LYS 483 CO 0.13 -0.03 0.63 -1.14 -0.36 0.00 0.00 175.35 174.57 3iwk s GLN 484 N 0.95 3.87 -0.44 4.03 0.74 -1.26 -0.82 119.66 126.73 3iwk s GLN 484 Ca -0.03 0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.53 3iwk s GLN 484 Cb -0.15 -3.74 0.08 0.00 1.10 0.00 0.00 33.01 30.30 3iwk s GLN 484 CO -0.02 -0.59 0.30 0.08 -0.55 0.00 0.00 175.29 174.51 3iwk s VAL 485 N 2.62 4.49 -0.18 1.34 1.01 -0.14 -5.01 120.40 124.53 3iwk s VAL 485 Ca 0.25 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 3iwk s VAL 485 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3iwk s VAL 485 CO 0.12 -0.55 -0.06 -0.89 0.00 0.00 0.00 175.10 173.73 3iwk s THR 486 N 1.48 3.47 -0.05 3.92 2.01 -1.26 -1.38 115.64 123.82 3iwk s THR 486 Ca 0.03 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3iwk s THR 486 Cb -0.24 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 3iwk s THR 486 CO 0.03 0.47 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.60 3iwk s ARG 487 N 0.88 2.52 -0.54 4.92 3.52 0.89 -4.99 118.95 126.15 3iwk s ARG 487 Ca -0.01 -0.85 -0.23 0.00 -0.13 0.00 0.00 55.73 54.50 3iwk s ARG 487 Cb -0.15 -2.21 0.04 0.00 -1.56 0.00 0.00 34.95 31.07 3iwk s ARG 487 CO 0.01 0.45 0.88 -0.47 -0.81 0.00 0.00 175.30 175.36 3iwk s TYR 488 N -0.32 2.84 0.08 5.12 5.04 -1.26 -0.50 117.35 128.35 3iwk s TYR 488 Ca 0.02 -0.11 0.03 0.00 -2.44 0.00 0.00 57.07 54.56 3iwk s TYR 488 Cb -0.13 -3.97 -0.24 0.00 0.35 0.00 0.00 41.96 37.97 3iwk s TYR 488 CO 0.02 -1.29 1.15 1.15 -1.34 0.00 0.00 175.55 175.24 3iwk h THR 489 N 5.99 1.53 -3.27 4.34 2.02 -1.60 -3.47 112.91 118.45 3iwk h THR 489 Ca -0.26 -3.20 -0.44 0.00 0.77 0.00 0.00 66.41 63.29 3iwk h THR 489 Cb 1.08 2.84 0.21 0.00 -1.74 0.00 0.00 68.15 70.54 3iwk h THR 489 CO 1.06 0.90 0.01 -0.55 0.37 0.00 0.00 175.52 177.32 3iwk s SER 490 N -6.83 0.95 -0.01 4.18 0.15 -1.20 -4.98 113.70 105.96 3iwk s SER 490 Ca -0.02 1.47 0.01 0.00 0.70 0.00 0.00 55.95 58.11 3iwk s SER 490 Cb 0.09 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 3iwk s SER 490 CO 0.84 -4.21 1.02 -0.67 1.20 0.00 0.00 173.24 171.42 3iwk n ASP 491 N -4.92 2.06 -4.82 5.45 4.64 -1.26 -5.05 116.55 112.65 3iwk n ASP 491 Ca 0.03 -2.05 -0.34 0.00 -1.38 0.00 0.00 54.79 51.04 3iwk n ASP 491 Cb 0.55 -0.03 -0.06 0.00 -1.04 0.00 0.00 41.12 40.53 3iwk n ASP 491 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 3iwk s GLU 492 N -1.09 4.19 0.56 -0.67 2.56 -1.26 -5.05 118.70 117.94 3iwk s GLU 492 Ca 0.03 0.88 -0.21 0.00 0.00 0.00 0.00 54.97 55.67 3iwk s GLU 492 Cb 0.02 -2.60 -0.04 0.00 2.00 0.00 0.00 34.13 33.50 3iwk s GLU 492 CO 0.01 0.23 1.29 -1.25 -0.56 0.00 0.00 175.26 174.99 3iwk s PRO 493 N -2.53 3.12 0.24 4.30 0.04 -1.26 -4.92 135.00 133.98 3iwk s PRO 493 Ca 0.51 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.54 3iwk s PRO 493 Cb -0.13 -2.16 0.23 0.00 0.04 0.00 0.00 34.50 32.47 3iwk s PRO 493 CO 0.19 -1.16 1.91 2.35 0.04 0.00 0.00 177.00 180.33 3iwk h TRP 494 N 1.32 1.15 -4.33 0.56 -0.00 -2.00 -3.47 115.95 109.18 3iwk h TRP 494 Ca -0.51 0.03 -0.20 0.00 -0.00 0.00 0.00 58.89 58.21 3iwk h TRP 494 Cb 1.30 -0.39 0.11 0.00 -0.00 0.00 0.00 29.16 30.18 3iwk h TRP 494 CO 0.46 0.72 -0.49 0.41 -0.00 0.00 0.00 178.44 179.54 3iwk n GLY 495 N -1.35 -0.12 0.39 2.65 0.00 -1.26 -4.98 105.19 100.52 3iwk n GLY 495 Ca 0.10 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3iwk n GLY 495 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3iwk n TRP 496 N -2.89 0.00 -3.45 1.61 -0.00 -1.26 -5.05 117.44 106.41 3iwk n TRP 496 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.10 3iwk n TRP 496 Cb 0.60 -0.55 -0.02 0.00 -0.00 0.00 0.00 31.31 31.34 3iwk n TRP 496 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3iwk s TYR 497 N -2.28 3.49 -0.04 5.87 2.02 -1.26 -5.06 117.35 120.09 3iwk s TYR 497 Ca -0.21 0.34 -0.30 0.00 -0.37 0.00 0.00 57.07 56.53 3iwk s TYR 497 Cb 0.07 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3iwk s TYR 497 CO 0.29 0.17 1.32 -0.65 -1.57 0.00 0.00 175.55 175.11 3iwk s GLN 498 N -4.16 4.30 0.44 -0.62 -1.52 -1.26 -5.02 119.66 111.82 3iwk s GLN 498 Ca 0.40 1.84 -0.25 0.00 -1.95 0.00 0.00 55.36 55.40 3iwk s GLN 498 Cb -0.10 -3.60 -0.08 0.00 -0.22 0.00 0.00 33.01 29.02 3iwk s GLN 498 CO 0.35 -0.55 1.25 -2.14 -0.25 0.00 0.00 175.29 173.95 3iwk s PRO 499 N 2.48 3.83 0.00 2.91 0.02 -1.26 -5.01 135.00 137.96 3iwk s PRO 499 Ca 0.60 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3iwk s PRO 499 Cb -0.28 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3iwk s PRO 499 CO 0.24 -0.56 0.53 -0.35 -0.33 0.00 0.00 177.00 176.52 3iwk n PRO 500 N -0.18 0.00 0.00 5.54 -0.04 -1.26 -4.96 135.00 134.11 3iwk n PRO 500 Ca 0.05 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3iwk n PRO 500 Cb 0.45 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.89 3iwk n PRO 500 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3iwk n SER 501 N -0.66 0.00 -0.32 3.54 7.64 -1.26 -5.33 113.62 117.23 3iwk n SER 501 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3iwk n SER 501 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3iwk n SER 501 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32