#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk n ARG 8 N 0.00 0.01 -2.23 1.43 1.74 -1.26 -4.61 116.66 111.74 3iwk n ARG 8 Ca 0.00 -1.02 -0.05 0.00 -0.77 0.00 0.00 57.85 56.01 3iwk n ARG 8 Cb 0.00 -0.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.93 3iwk n ARG 8 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3iwk n GLN 9 N -0.01 1.69 -2.91 5.56 3.00 -1.26 -4.52 117.38 118.92 3iwk n GLN 9 Ca 0.00 -0.53 -0.40 0.00 -0.01 0.00 0.00 57.00 56.06 3iwk n GLN 9 Cb 0.70 0.12 -0.05 0.00 0.00 0.00 0.00 30.24 31.01 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3iwk s LEU 10 N 0.00 4.50 -0.52 1.08 1.43 -0.70 -4.85 118.68 119.62 3iwk s LEU 10 Ca 0.01 1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 3iwk s LEU 10 Cb -0.00 -3.34 0.09 0.00 0.03 0.00 0.00 46.19 42.96 3iwk s LEU 10 CO 0.01 0.05 0.54 0.12 0.23 0.00 0.00 176.35 177.29 3iwk s PHE 11 N -0.33 3.15 -0.05 0.29 5.36 -0.78 0.47 117.98 126.09 3iwk s PHE 11 Ca 0.40 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 3iwk s PHE 11 Cb -0.22 -3.56 0.02 0.00 -0.34 0.00 0.00 43.02 38.92 3iwk s PHE 11 CO 0.26 -1.00 -0.06 0.42 -1.46 0.00 0.00 175.22 173.37 3iwk s ILE 12 N 2.09 0.69 -1.50 3.12 1.01 -0.06 0.09 121.20 126.63 3iwk s ILE 12 Ca 0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3iwk s ILE 12 Cb -0.24 -0.68 0.07 0.00 0.01 0.00 0.00 42.46 41.62 3iwk s ILE 12 CO 0.07 0.26 0.89 -0.67 0.00 0.00 0.00 174.94 175.48 3iwk n ASP 13 N 3.98 -3.79 -0.03 3.58 2.03 -1.26 -1.46 116.55 119.60 3iwk n ASP 13 Ca -0.25 -0.82 -0.00 0.00 0.52 0.00 0.00 54.79 54.24 3iwk n ASP 13 Cb 0.51 -3.77 -0.00 0.00 -0.72 0.00 0.00 41.12 37.14 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 -1.66 0.43 3.06 0.27 0.00 -1.26 -4.45 105.19 101.58 3iwk n GLY 14 Ca -0.03 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 3iwk n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwk s GLU 15 N -0.53 0.56 -0.16 1.61 8.01 -0.53 -4.93 118.70 122.73 3iwk s GLU 15 Ca 0.00 -0.67 -0.29 0.00 0.01 0.00 0.00 54.97 54.02 3iwk s GLU 15 Cb 0.00 -0.39 -0.01 0.00 -4.31 0.00 0.00 34.13 29.41 3iwk s GLU 15 CO 0.00 0.08 1.23 -1.58 0.01 0.00 0.00 175.26 175.00 3iwk s TRP 16 N -1.12 2.96 -0.08 1.61 0.52 -1.26 -0.88 118.94 120.69 3iwk s TRP 16 Ca -0.07 1.10 0.01 0.00 0.02 0.00 0.00 56.10 57.16 3iwk s TRP 16 Cb -0.08 -3.46 0.02 0.00 -1.15 0.00 0.00 33.47 28.79 3iwk s TRP 16 CO 0.00 -1.49 -0.10 1.03 0.02 0.00 0.00 176.95 176.41 3iwk s ARG 17 N 3.26 1.59 0.29 4.98 0.52 0.18 -4.93 118.95 124.83 3iwk s ARG 17 Ca 0.54 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.11 3iwk s ARG 17 Cb -0.21 -1.43 -0.10 0.00 0.52 0.00 0.00 34.95 33.73 3iwk s ARG 17 CO 0.15 -0.07 1.31 0.08 0.02 0.00 0.00 175.30 176.79 3iwk s VAL 18 N 1.00 2.87 0.21 3.52 1.01 -1.26 -1.71 120.40 126.03 3iwk s VAL 18 Ca -0.08 0.81 -0.32 0.00 0.00 0.00 0.00 61.98 62.39 3iwk s VAL 18 Cb -0.15 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 3iwk s VAL 18 CO -0.00 0.17 1.33 -2.65 0.00 0.00 0.00 175.10 173.95 3iwk n PRO 19 N 1.42 1.71 -0.29 2.72 -0.02 -1.26 -4.88 135.00 134.40 3iwk n PRO 19 Ca 0.02 0.61 0.18 0.00 -2.02 0.00 0.00 63.50 62.29 3iwk n PRO 19 Cb 0.42 -2.22 0.46 0.00 -0.02 0.00 0.00 33.50 32.14 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3iwk h ILE 20 N 2.95 0.67 -0.01 4.25 1.08 -1.93 0.15 117.51 124.68 3iwk h ILE 20 Ca -0.44 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3iwk h ILE 20 Cb 1.30 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 3iwk h ILE 20 CO 0.75 0.09 -0.38 0.18 -0.69 0.00 0.00 178.15 178.10 3iwk n LEU 21 N -4.59 1.31 -3.58 1.44 4.32 -1.26 -4.98 117.00 109.65 3iwk n LEU 21 Ca 0.21 -0.41 -0.26 0.00 -0.02 0.00 0.00 56.01 55.52 3iwk n LEU 21 Cb 0.69 -0.09 0.03 0.00 -1.62 0.00 0.00 43.42 42.43 3iwk n LEU 21 CO 0.28 0.25 0.07 -3.20 -1.22 0.00 0.00 177.39 173.57 3iwk n ASN 22 N -0.55 -5.07 -4.77 -1.43 2.85 0.53 -4.98 115.26 101.85 3iwk n ASN 22 Ca 0.10 -0.57 -0.39 0.00 -0.11 0.00 0.00 54.58 53.61 3iwk n ASN 22 Cb 0.38 -4.07 -0.06 0.00 1.24 0.00 0.00 39.78 37.28 3iwk n ASN 22 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3iwk s LYS 23 N -6.27 4.46 0.10 1.20 2.20 -1.26 -5.01 119.74 115.15 3iwk s LYS 23 Ca 0.53 1.01 0.08 0.00 -0.36 0.00 0.00 55.97 57.23 3iwk s LYS 23 Cb -0.26 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3iwk s LYS 23 CO 0.65 0.45 -0.20 1.03 -0.36 0.00 0.00 175.35 176.92 3iwk s ARG 24 N -0.63 1.11 -0.16 4.03 1.81 -1.26 -0.63 118.95 123.22 3iwk s ARG 24 Ca 0.35 -1.16 -0.03 0.00 -1.72 0.00 0.00 55.73 53.18 3iwk s ARG 24 Cb -0.21 -1.36 -0.02 0.00 -0.45 0.00 0.00 34.95 32.91 3iwk s ARG 24 CO 0.23 0.31 -0.07 0.42 -0.68 0.00 0.00 175.30 175.52 3iwk s ILE 25 N -1.19 3.54 0.59 1.52 1.01 0.16 -4.85 121.20 121.99 3iwk s ILE 25 Ca 0.06 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.05 3iwk s ILE 25 Cb -0.10 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3iwk s ILE 25 CO 0.04 0.49 1.22 -2.16 0.00 0.00 0.00 174.94 174.54 3iwk s PRO 26 N 0.55 2.94 -0.15 2.79 0.04 -1.26 -0.23 135.00 139.68 3iwk s PRO 26 Ca -0.05 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.88 3iwk s PRO 26 Cb -0.15 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3iwk s PRO 26 CO 0.03 -1.24 -0.20 1.21 0.04 0.00 0.00 177.00 176.84 3iwk s ASN 27 N -1.53 3.05 -0.14 6.66 2.47 0.14 -4.81 114.94 120.77 3iwk s ASN 27 Ca 0.78 -0.60 -0.08 0.00 0.42 0.00 0.00 52.86 53.37 3iwk s ASN 27 Cb -0.32 -1.42 -0.04 0.00 -1.45 0.00 0.00 41.25 38.02 3iwk s ASN 27 CO 0.34 0.04 0.16 -0.63 -3.72 0.00 0.00 177.10 173.29 3iwk s ILE 28 N 1.03 5.45 -0.29 -5.21 -1.09 -1.26 -1.28 121.20 118.55 3iwk s ILE 28 Ca -0.02 0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 58.36 3iwk s ILE 28 Cb -0.14 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 3iwk s ILE 28 CO -0.06 0.56 1.22 0.21 -1.23 0.00 0.00 174.94 175.64 3iwk s ASN 29 N -0.62 6.78 0.38 3.58 3.04 0.33 -4.90 114.94 123.53 3iwk s ASN 29 Ca 0.14 1.20 0.07 0.00 0.04 0.00 0.00 52.86 54.31 3iwk s ASN 29 Cb -0.12 -2.54 0.80 0.00 -1.54 0.00 0.00 41.25 37.85 3iwk s ASN 29 CO 0.03 -0.99 1.99 1.55 -3.04 0.00 0.00 177.10 176.64 3iwk h PRO 30 N 8.79 0.66 0.00 0.43 0.13 -1.80 0.31 132.00 140.52 3iwk h PRO 30 Ca -0.24 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3iwk h PRO 30 Cb 1.09 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3iwk h PRO 30 CO 1.03 0.43 -0.22 -1.13 -0.23 0.00 0.00 178.00 177.88 3iwk n SER 31 N -4.47 0.77 -0.03 1.44 3.41 -1.26 -1.11 113.62 112.37 3iwk n SER 31 Ca 0.09 0.41 -0.03 0.00 -0.26 0.00 0.00 58.87 59.08 3iwk n SER 31 Cb 0.20 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 3iwk n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iwk n THR 32 N -2.21 0.44 -0.98 6.66 -2.24 -0.95 -3.72 114.28 111.29 3iwk n THR 32 Ca 0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3iwk n THR 32 Cb 0.43 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.19 -3.82 -0.78 1.02 0.11 -4.41 120.64 110.36 3iwk n GLU 33 Ca -0.11 0.05 -0.33 0.00 -0.02 0.00 0.00 57.16 56.75 3iwk n GLU 33 Cb 0.68 -3.12 -0.05 0.00 -0.02 0.00 0.00 31.44 28.93 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 -2.25 6.43 -0.13 1.62 0.01 -1.25 -4.81 114.94 114.56 3iwk s ASN 34 Ca 0.00 0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 52.30 3iwk s ASN 34 Cb 0.00 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.58 3iwk s ASN 34 CO 0.00 0.19 1.63 -0.63 -1.51 0.00 0.00 177.10 176.78 3iwk s ILE 35 N -1.44 3.66 -1.63 0.60 1.01 -1.26 -0.52 121.20 121.63 3iwk s ILE 35 Ca 0.32 0.78 0.17 0.00 0.00 0.00 0.00 60.65 61.92 3iwk s ILE 35 Cb -0.13 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3iwk s ILE 35 CO 0.22 -0.15 0.91 2.30 0.00 0.00 0.00 174.94 178.22 3iwk n ILE 36 N 5.86 0.00 -3.67 2.92 -5.35 -0.40 -4.94 119.36 113.78 3iwk n ILE 36 Ca 0.18 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 3iwk n ILE 36 Cb 0.44 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iwk n GLY 37 N 1.16 -0.78 3.41 3.28 0.00 -1.22 -5.03 105.19 106.00 3iwk n GLY 37 Ca 0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 0.15 -0.03 1.61 1.47 -1.26 -0.68 116.67 113.92 3iwk s ASP 38 Ca 0.00 -1.20 0.01 0.00 1.18 0.00 0.00 52.55 52.55 3iwk s ASP 38 Cb 0.00 0.50 0.01 0.00 -0.34 0.00 0.00 42.92 43.10 3iwk s ASP 38 CO 0.00 -1.02 -0.05 -0.63 0.68 0.00 0.00 175.17 174.15 3iwk s ILE 39 N -3.98 0.51 0.37 2.11 -1.09 0.68 -4.88 121.20 114.92 3iwk s ILE 39 Ca 0.31 -0.16 -0.28 0.00 -2.23 0.00 0.00 60.65 58.28 3iwk s ILE 39 Cb 0.03 -0.50 -0.11 0.00 -1.58 0.00 0.00 42.46 40.30 3iwk s ILE 39 CO 0.12 0.19 1.49 -2.16 -1.23 0.00 0.00 174.94 173.35 3iwk s PRO 40 N 0.56 4.12 -0.40 2.79 0.04 -1.26 0.39 135.00 141.24 3iwk s PRO 40 Ca -0.07 2.57 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 3iwk s PRO 40 Cb -0.11 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.52 3iwk s PRO 40 CO 0.00 -0.54 0.22 0.00 0.04 0.00 0.00 177.00 176.73 3iwk s ALA 41 N -1.01 3.24 0.47 8.56 0.00 0.20 -3.81 121.76 129.41 3iwk s ALA 41 Ca 0.54 -2.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 3iwk s ALA 41 Cb -0.46 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 3iwk s ALA 41 CO 0.62 -1.56 0.98 0.00 0.00 0.00 0.00 175.76 175.79 3iwk s ALA 42 N 1.43 3.02 0.31 0.00 0.00 0.38 -4.38 121.76 122.52 3iwk s ALA 42 Ca 0.02 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.38 3iwk s ALA 42 Cb -0.22 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 3iwk s ALA 42 CO 0.03 -0.08 0.01 0.99 0.00 0.00 0.00 175.76 176.71 3iwk s THR 43 N -2.32 1.42 0.20 0.00 2.01 -1.26 -3.64 115.64 112.05 3iwk s THR 43 Ca 0.62 -2.05 -0.06 0.00 0.31 0.00 0.00 61.69 60.50 3iwk s THR 43 Cb -0.10 -2.65 0.33 0.00 0.01 0.00 0.00 72.50 70.08 3iwk s THR 43 CO 0.21 -0.14 1.15 1.17 -0.69 0.00 0.00 174.62 176.32 3iwk n LYS 44 N -0.65 -0.07 -0.29 4.92 3.00 -1.26 -0.96 118.16 122.84 3iwk n LYS 44 Ca -0.04 1.15 -0.05 0.00 -0.00 0.00 0.00 58.31 59.37 3iwk n LYS 44 Cb 0.65 -1.71 0.07 0.00 0.00 0.00 0.00 35.03 34.04 3iwk n LYS 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3iwk h GLU 45 N 0.00 1.12 -0.24 1.64 4.39 -1.99 -1.24 114.58 118.26 3iwk h GLU 45 Ca 0.35 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 3iwk h GLU 45 Cb 0.53 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3iwk h GLU 45 CO -0.76 0.82 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.32 3iwk h ASP 46 N 1.11 0.55 -0.90 1.42 5.19 -1.44 -2.84 116.42 119.50 3iwk h ASP 46 Ca 0.28 -0.43 0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3iwk h ASP 46 Cb 0.03 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.32 3iwk h ASP 46 CO -0.05 0.86 0.56 0.58 -3.12 0.00 0.00 179.24 178.08 3iwk h VAL 47 N 0.23 1.04 -0.98 -1.35 2.07 -1.10 -1.14 116.25 115.01 3iwk h VAL 47 Ca 0.05 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3iwk h VAL 47 Cb 0.68 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3iwk h VAL 47 CO 0.04 0.18 0.65 0.44 0.02 0.00 0.00 177.57 178.90 3iwk h ASP 48 N 1.01 1.08 -0.58 0.57 5.19 -1.17 -1.53 116.42 120.99 3iwk h ASP 48 Ca 0.40 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 3iwk h ASP 48 Cb 0.20 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 3iwk h ASP 48 CO -0.18 0.74 0.02 -0.07 -3.12 0.00 0.00 179.24 176.63 3iwk h LEU 49 N 1.25 1.00 -0.32 1.55 3.38 -1.00 -1.71 115.31 119.46 3iwk h LEU 49 Ca 0.39 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3iwk h LEU 49 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3iwk h LEU 49 CO -0.12 1.04 0.05 0.00 0.09 0.00 0.00 178.44 179.50 3iwk h ALA 50 N 1.06 0.42 -0.39 1.53 0.00 -0.85 -1.77 119.26 119.27 3iwk h ALA 50 Ca 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 50 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 50 CO 0.03 0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.76 3iwk h VAL 51 N 0.35 1.23 -0.51 0.00 2.07 -1.27 -0.91 116.25 117.23 3iwk h VAL 51 Ca 0.10 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.89 3iwk h VAL 51 Cb 0.35 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3iwk h VAL 51 CO 0.01 0.28 0.11 0.44 0.02 0.00 0.00 177.57 178.43 3iwk h ASP 52 N 0.49 0.03 -0.69 0.57 3.32 -1.28 0.90 116.42 119.75 3iwk h ASP 52 Ca 0.12 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3iwk h ASP 52 Cb 0.33 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 3iwk h ASP 52 CO 0.00 0.04 0.23 0.00 -1.72 0.00 0.00 179.24 177.79 3iwk h ALA 53 N 1.39 0.91 -0.53 3.45 0.00 -1.07 -1.41 119.26 122.00 3iwk h ALA 53 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3iwk h ALA 53 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3iwk h ALA 53 CO -0.32 0.57 0.23 0.00 0.00 0.00 0.00 179.25 179.73 3iwk h ALA 54 N 1.10 0.69 -0.52 0.00 0.00 -0.67 -1.44 119.26 118.43 3iwk h ALA 54 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 54 Cb 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3iwk h ALA 54 CO -0.01 0.28 0.34 0.87 0.00 0.00 0.00 179.25 180.73 3iwk h LYS 55 N 0.71 0.66 -0.47 0.00 1.79 -0.53 -2.70 116.57 116.04 3iwk h LYS 55 Ca 0.18 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 3iwk h LYS 55 Cb 0.17 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3iwk h LYS 55 CO -0.02 0.44 0.08 0.00 -1.08 0.00 0.00 179.45 178.87 3iwk h ARG 56 N 0.68 0.72 0.00 3.15 3.08 -1.07 -2.55 114.38 118.39 3iwk h ARG 56 Ca 0.20 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3iwk h ARG 56 Cb -0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3iwk h ARG 56 CO -0.06 0.68 -0.09 0.00 -1.07 0.00 0.00 179.97 179.43 3iwk h ALA 57 N 1.40 1.67 -0.21 0.04 0.00 -0.93 -2.77 119.26 118.46 3iwk h ALA 57 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 57 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iwk h ALA 57 CO 0.00 0.12 0.00 0.44 0.00 0.00 0.00 179.25 179.81 3iwk n ILE 58 N -4.17 0.97 -2.26 0.00 -5.35 -1.13 -2.57 119.36 104.85 3iwk n ILE 58 Ca -0.03 -0.99 -0.42 0.00 -0.27 0.00 0.00 62.75 61.05 3iwk n ILE 58 Cb 0.17 0.52 -0.03 0.00 -1.74 0.00 0.00 39.64 38.56 3iwk n ILE 58 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3iwk s SER 59 N -0.99 6.93 0.44 7.28 0.15 -0.98 -4.77 113.70 121.76 3iwk s SER 59 Ca 0.14 2.27 0.20 0.00 0.70 0.00 0.00 55.95 59.26 3iwk s SER 59 Cb 0.07 -2.59 1.15 0.00 -1.71 0.00 0.00 66.02 62.94 3iwk s SER 59 CO 0.10 -0.54 1.86 -0.09 1.20 0.00 0.00 173.24 175.76 3iwk h ARG 60 N 6.16 0.33 -0.36 5.44 2.43 -1.91 0.14 114.38 126.61 3iwk h ARG 60 Ca -0.43 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 58.82 3iwk h ARG 60 Cb 1.21 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3iwk h ARG 60 CO 0.81 0.22 0.27 -0.22 -1.51 0.00 0.00 179.97 179.54 3iwk h LYS 61 N 0.34 0.00 -6.29 0.20 3.64 -1.94 -3.42 116.57 109.10 3iwk h LYS 61 Ca 0.47 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 59.30 3iwk h LYS 61 Cb 1.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3iwk h LYS 61 CO -0.16 0.00 0.86 1.21 -2.27 0.00 0.00 179.45 179.09 3iwk s ASN 62 N -6.35 6.89 0.00 4.20 3.04 0.50 -4.90 114.94 118.32 3iwk s ASN 62 Ca -0.05 1.96 0.17 0.00 0.04 0.00 0.00 52.86 54.98 3iwk s ASN 62 Cb 0.18 -2.55 0.94 0.00 -1.54 0.00 0.00 41.25 38.28 3iwk s ASN 62 CO 0.69 -0.73 1.61 0.61 -3.04 0.00 0.00 177.10 176.25 3iwk n GLY 63 N 3.64 -0.81 1.52 1.21 0.00 -1.26 -2.92 105.19 106.56 3iwk n GLY 63 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3iwk n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3iwk n ARG 64 N -0.60 0.89 -2.46 1.61 0.63 -1.26 -5.11 116.66 110.37 3iwk n ARG 64 Ca 0.13 -2.69 -0.42 0.00 -0.92 0.00 0.00 57.85 53.95 3iwk n ARG 64 Cb 0.09 -0.79 -0.03 0.00 0.45 0.00 0.00 32.46 32.18 3iwk n ARG 64 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3iwk s ASP 65 N -2.68 7.15 0.18 6.15 -4.77 -1.15 -4.95 116.67 116.61 3iwk s ASP 65 Ca 0.35 2.06 -0.10 0.00 -3.30 0.00 0.00 52.55 51.57 3iwk s ASP 65 Cb 0.38 -2.59 0.08 0.00 -1.09 0.00 0.00 42.92 39.69 3iwk s ASP 65 CO -0.11 -0.36 1.67 -0.25 0.70 0.00 0.00 175.17 176.81 3iwk h TRP 66 N 5.98 1.14 0.00 2.11 2.91 -1.84 -2.59 115.95 123.66 3iwk h TRP 66 Ca -0.43 -0.17 -0.03 0.00 1.13 0.00 0.00 58.89 59.39 3iwk h TRP 66 Cb 1.21 -0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 29.55 3iwk h TRP 66 CO 0.65 0.97 -0.16 0.66 -1.03 0.00 0.00 178.44 179.53 3iwk h SER 67 N 0.97 0.00 0.12 2.65 4.64 -1.81 -3.04 113.55 117.07 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 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3iwk h SER 67 CO 0.02 0.16 -1.58 0.00 -0.87 0.00 0.00 176.83 174.55 3iwk n ALA 68 N -2.18 3.31 -1.70 5.18 0.00 -1.17 -4.93 120.51 119.03 3iwk n ALA 68 Ca 0.01 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 3iwk n ALA 68 Cb 0.41 -0.81 0.05 0.00 0.00 0.00 0.00 19.45 19.11 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk n ALA 69 N -2.03 1.05 -1.75 0.00 0.00 -0.98 -4.94 120.51 111.85 3iwk n ALA 69 Ca -0.01 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3iwk n ALA 69 Cb 0.50 -2.28 0.02 0.00 0.00 0.00 0.00 19.45 17.69 3iwk n ALA 69 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iwk n SER 70 N -1.19 3.16 -0.34 0.00 3.41 -1.26 -4.87 113.62 112.52 3iwk n SER 70 Ca 0.13 1.10 0.16 0.00 -0.26 0.00 0.00 58.87 60.00 3iwk n SER 70 Cb 0.46 -1.59 0.37 0.00 -0.26 0.00 0.00 64.21 63.20 3iwk n SER 70 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3iwk h GLY 71 N 2.14 1.70 2.00 5.00 0.00 -1.92 -1.18 103.07 110.81 3iwk h GLY 71 Ca -0.51 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 3iwk h GLY 71 CO 0.60 -0.12 -0.46 1.48 0.00 0.00 0.00 176.54 178.05 3iwk h SER 72 N 0.65 0.00 -0.25 0.19 4.64 -1.82 -1.58 113.55 115.38 3iwk h SER 72 Ca 0.59 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.87 3iwk h SER 72 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3iwk h SER 72 CO -0.38 0.46 -0.01 0.25 -0.87 0.00 0.00 176.83 176.27 3iwk h LEU 73 N 0.00 0.44 -0.51 5.97 5.85 -1.58 -1.46 115.31 124.02 3iwk h LEU 73 Ca -0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3iwk h LEU 73 Cb 0.95 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3iwk h LEU 73 CO 0.06 0.66 0.30 0.03 -0.34 0.00 0.00 178.44 179.15 3iwk h ARG 74 N 0.22 0.70 -0.87 1.25 3.08 -1.36 -2.12 114.38 115.27 3iwk h ARG 74 Ca 0.07 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.18 3iwk h ARG 74 Cb 0.44 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 3iwk h ARG 74 CO 0.02 0.52 0.56 0.00 -1.07 0.00 0.00 179.97 180.00 3iwk h ALA 75 N 1.14 1.79 -0.44 0.04 0.00 -1.22 -0.92 119.26 119.66 3iwk h ALA 75 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 75 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3iwk h ALA 75 CO -0.03 -0.01 0.03 -0.09 0.00 0.00 0.00 179.25 179.14 3iwk h ARG 76 N 0.72 0.69 -0.18 0.00 9.65 -0.58 0.27 114.38 124.95 3iwk h ARG 76 Ca 0.43 -0.16 -0.21 0.00 -1.10 0.00 0.00 59.98 58.94 3iwk h ARG 76 Cb 0.63 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 29.13 3iwk h ARG 76 CO -0.19 0.69 -0.69 1.88 2.80 0.00 0.00 179.97 184.46 3iwk h TYR 77 N 0.66 1.04 -0.44 2.20 0.05 -1.11 -2.16 116.97 117.22 3iwk h TYR 77 Ca 0.14 -0.44 -0.00 0.00 0.05 0.00 0.00 58.73 58.47 3iwk h TYR 77 Cb 0.36 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3iwk h TYR 77 CO 0.02 1.27 0.26 -0.07 -1.05 0.00 0.00 178.16 178.58 3iwk h LEU 78 N 0.52 0.53 -1.53 3.88 3.38 -0.74 0.67 115.31 122.02 3iwk h LEU 78 Ca -0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3iwk h LEU 78 Cb 1.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3iwk h LEU 78 CO 0.14 0.44 -0.07 0.03 0.09 0.00 0.00 178.44 179.08 3iwk h ARG 79 N 0.57 0.21 0.03 1.13 3.08 -0.52 -0.28 114.38 118.61 3iwk h ARG 79 Ca 0.16 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.92 3iwk h ARG 79 Cb 0.02 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.04 3iwk h ARG 79 CO -0.03 0.30 -1.03 0.00 -1.07 0.00 0.00 179.97 178.15 3iwk h ALA 80 N 1.72 0.26 -0.12 0.04 0.00 -0.88 -2.10 119.26 118.18 3iwk h ALA 80 Ca 0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 3iwk h ALA 80 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iwk h ALA 80 CO 0.01 0.80 0.04 0.82 0.00 0.00 0.00 179.25 180.93 3iwk h ILE 81 N 0.24 1.16 -0.53 0.00 2.04 -0.64 -2.55 117.51 117.23 3iwk h ILE 81 Ca -0.11 -0.50 0.06 0.00 1.00 0.00 0.00 64.86 65.31 3iwk h ILE 81 Cb 1.68 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.99 3iwk h ILE 81 CO 0.18 0.15 0.24 0.00 0.00 0.00 0.00 178.15 178.72 3iwk h ALA 82 N 0.87 0.68 -0.89 1.87 0.00 -1.08 -1.66 119.26 119.04 3iwk h ALA 82 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 82 Cb 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3iwk h ALA 82 CO -0.00 -0.12 0.46 0.00 0.00 0.00 0.00 179.25 179.59 3iwk h ALA 83 N 1.31 1.14 -0.15 0.00 0.00 -1.36 -1.26 119.26 118.95 3iwk h ALA 83 Ca 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 83 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3iwk h ALA 83 CO -0.20 0.67 0.00 -0.22 0.00 0.00 0.00 179.25 179.50 3iwk h LYS 84 N 1.25 0.26 -0.34 0.00 1.63 -1.01 -2.42 116.57 115.94 3iwk h LYS 84 Ca 0.31 -0.08 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 3iwk h LYS 84 Cb 0.06 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.62 3iwk h LYS 84 CO -0.05 0.49 0.03 0.82 -3.45 0.00 0.00 179.45 177.29 3iwk h ILE 85 N 0.01 0.79 -0.75 2.00 2.04 -1.25 -2.66 117.51 117.68 3iwk h ILE 85 Ca 0.04 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 66.00 3iwk h ILE 85 Cb 0.37 0.64 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 3iwk h ILE 85 CO 0.01 0.02 0.28 0.50 0.00 0.00 0.00 178.15 178.97 3iwk h LYS 86 N 0.14 0.41 -0.69 2.37 3.64 -1.08 -0.83 116.57 120.53 3iwk h LYS 86 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3iwk h LYS 86 Cb 0.21 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3iwk h LYS 86 CO -0.25 0.27 0.42 0.93 -2.27 0.00 0.00 179.45 178.55 3iwk h GLU 87 N 0.42 0.92 -0.63 1.90 5.08 -1.09 -2.86 114.58 118.32 3iwk h GLU 87 Ca 0.41 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3iwk h GLU 87 Cb 0.64 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3iwk h GLU 87 CO -0.41 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 3iwk n LYS 88 N -4.41 3.99 -0.28 2.33 5.02 -0.43 -4.71 118.16 119.67 3iwk n LYS 88 Ca 0.07 -2.96 0.01 0.00 -2.02 0.00 0.00 58.31 53.41 3iwk n LYS 88 Cb 0.06 -1.97 0.08 0.00 -0.02 0.00 0.00 35.03 33.17 3iwk n LYS 88 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3iwk h LYS 89 N 4.07 -0.03 -0.02 1.97 3.64 -1.02 -0.17 116.57 125.01 3iwk h LYS 89 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3iwk h LYS 89 Cb 1.57 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3iwk h LYS 89 CO 0.29 -0.02 0.01 -0.44 -2.27 0.00 0.00 179.45 177.01 3iwk h ASP 90 N -0.03 0.03 -0.33 4.20 5.19 -1.86 0.58 116.42 124.19 3iwk h ASP 90 Ca 0.35 -0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.43 3iwk h ASP 90 Cb 0.58 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 3iwk h ASP 90 CO -0.82 0.25 -0.16 -0.08 -3.12 0.00 0.00 179.24 175.32 3iwk h GLU 91 N -0.19 0.79 -0.12 3.56 4.57 -1.84 -1.36 114.58 119.98 3iwk h GLU 91 Ca 0.01 -0.29 -0.14 0.00 -1.18 0.00 0.00 59.36 57.76 3iwk h GLU 91 Cb 0.23 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3iwk h GLU 91 CO 0.00 0.90 -0.53 -0.07 -1.18 0.00 0.00 179.01 178.13 3iwk h LEU 92 N 0.70 0.37 -0.50 1.64 3.38 -0.99 -2.59 115.31 117.32 3iwk h LEU 92 Ca 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3iwk h LEU 92 Cb 0.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3iwk h LEU 92 CO 0.05 0.83 0.18 1.23 0.09 0.00 0.00 178.44 180.82 3iwk h GLY 93 N 1.28 0.81 0.98 0.83 0.00 -0.66 -2.14 103.07 104.18 3iwk h GLY 93 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3iwk h GLY 93 CO 0.09 0.43 0.01 1.70 0.00 0.00 0.00 176.54 178.76 3iwk h LYS 94 N 0.67 0.02 0.00 4.80 3.64 -1.08 -1.42 116.57 123.20 3iwk h LYS 94 Ca 0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3iwk h LYS 94 Cb 0.22 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3iwk h LYS 94 CO -0.01 0.02 -0.23 1.47 -2.27 0.00 0.00 179.45 178.43 3iwk n LEU 95 N -5.08 0.68 -0.07 5.20 -0.00 -0.99 -1.92 117.00 114.81 3iwk n LEU 95 Ca -0.06 0.43 -0.13 0.00 -0.00 0.00 0.00 56.01 56.24 3iwk n LEU 95 Cb 0.03 -0.29 -0.06 0.00 -0.00 0.00 0.00 43.42 43.10 3iwk n LEU 95 CO 0.33 -0.11 0.60 -0.08 -0.00 0.00 0.00 177.39 178.13 3iwk h GLU 96 N 0.00 0.46 -0.63 1.47 4.57 -1.19 -1.53 114.58 117.72 3iwk h GLU 96 Ca 0.00 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 3iwk h GLU 96 Cb 0.70 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 3iwk h GLU 96 CO 0.00 0.81 0.41 1.03 -1.18 0.00 0.00 179.01 180.09 3iwk h SER 97 N 0.13 0.71 -0.66 1.04 0.87 -1.06 -1.84 113.55 112.75 3iwk h SER 97 Ca 0.03 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3iwk h SER 97 Cb 0.72 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3iwk h SER 97 CO 0.05 0.51 0.09 0.40 -0.53 0.00 0.00 176.83 177.35 3iwk h ILE 98 N 0.84 1.26 -0.12 2.23 2.04 -1.43 -0.71 117.51 121.63 3iwk h ILE 98 Ca 0.24 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 3iwk h ILE 98 Cb -0.08 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3iwk h ILE 98 CO -0.06 0.39 -0.05 -0.78 0.00 0.00 0.00 178.15 177.65 3iwk h ASP 99 N 1.03 0.25 0.00 1.72 3.58 -0.95 -3.38 116.42 118.67 3iwk h ASP 99 Ca 0.20 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.24 3iwk h ASP 99 Cb 0.46 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3iwk h ASP 99 CO 0.02 0.61 -1.49 0.00 -2.88 0.00 0.00 179.24 175.49 3iwk n GLY 101 N 1.86 0.64 3.80 0.00 0.00 -0.27 -4.33 105.19 106.89 3iwk n GLY 101 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.94 3.92 0.43 1.61 -2.85 -1.24 -3.67 119.74 116.99 3iwk s LYS 102 Ca 0.00 1.31 -0.24 0.00 -1.00 0.00 0.00 55.97 56.04 3iwk s LYS 102 Cb 0.00 -2.14 -0.10 0.00 -2.06 0.00 0.00 37.83 33.53 3iwk s LYS 102 CO 0.00 -0.32 0.97 -2.30 0.10 0.00 0.00 175.35 173.80 3iwk n PRO 103 N -0.84 1.26 -0.27 1.78 -0.02 -1.26 -4.58 135.00 131.07 3iwk n PRO 103 Ca 0.09 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 3iwk n PRO 103 Cb 0.53 -2.00 0.20 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.42 0.31 -1.38 2.45 5.85 -1.36 -0.86 115.31 121.74 3iwk h LEU 104 Ca -0.44 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3iwk h LEU 104 Cb 1.34 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3iwk h LEU 104 CO 0.56 0.10 0.13 -0.33 -0.34 0.00 0.00 178.44 178.56 3iwk h GLU 105 N 0.46 0.55 -0.31 1.25 5.08 -1.88 0.23 114.58 119.96 3iwk h GLU 105 Ca 0.44 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3iwk h GLU 105 Cb 0.68 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3iwk h GLU 105 CO -0.42 0.48 -0.01 0.93 -1.00 0.00 0.00 179.01 178.99 3iwk h GLU 106 N 0.55 0.55 -0.55 2.33 5.08 -1.53 -2.23 114.58 118.78 3iwk h GLU 106 Ca 0.13 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iwk h GLU 106 Cb 0.15 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3iwk h GLU 106 CO -0.01 0.69 0.33 0.00 -1.00 0.00 0.00 179.01 179.02 3iwk h ALA 107 N 0.83 0.70 -0.74 3.43 0.00 -0.64 -1.49 119.26 121.36 3iwk h ALA 107 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 107 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 107 CO 0.02 0.19 0.25 -0.07 0.00 0.00 0.00 179.25 179.64 3iwk h LEU 108 N 0.74 1.05 -0.83 0.00 3.38 -0.96 -1.53 115.31 117.16 3iwk h LEU 108 Ca 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3iwk h LEU 108 Cb -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3iwk h LEU 108 CO -0.04 0.96 0.43 0.00 0.09 0.00 0.00 178.44 179.88 3iwk h ALA 109 N 1.13 1.07 -0.58 1.53 0.00 -1.18 -2.18 119.26 119.05 3iwk h ALA 109 Ca 0.24 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 109 Cb 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3iwk h ALA 109 CO -0.01 0.61 0.34 -0.44 0.00 0.00 0.00 179.25 179.75 3iwk h ASP 110 N 1.17 0.55 -0.71 0.00 3.45 -0.65 -1.87 116.42 118.37 3iwk h ASP 110 Ca 0.29 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.71 3iwk h ASP 110 Cb 0.08 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.71 3iwk h ASP 110 CO -0.04 0.38 0.27 -0.07 -1.57 0.00 0.00 179.24 178.21 3iwk h LEU 111 N 0.67 1.00 -1.38 1.55 4.07 -1.03 0.88 115.31 121.07 3iwk h LEU 111 Ca 0.24 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 3iwk h LEU 111 Cb 0.05 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 3iwk h LEU 111 CO -0.11 0.90 0.08 0.44 -1.08 0.00 0.00 178.44 178.68 3iwk h ASP 112 N 1.05 0.46 0.29 -0.43 3.45 -1.07 -2.03 116.42 118.15 3iwk h ASP 112 Ca 0.24 -0.06 -0.23 0.00 0.43 0.00 0.00 57.03 57.42 3iwk h ASP 112 Cb 0.23 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3iwk h ASP 112 CO -0.02 0.46 -0.93 0.44 -1.57 0.00 0.00 179.24 177.63 3iwk h ASP 113 N 0.49 0.57 -0.07 6.45 3.32 -0.51 -2.33 116.42 124.34 3iwk h ASP 113 Ca 0.12 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.75 3iwk h ASP 113 Cb 0.19 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3iwk h ASP 113 CO -0.00 1.24 -0.09 0.58 -1.72 0.00 0.00 179.24 179.25 3iwk h VAL 114 N 0.25 0.74 -0.03 -1.35 2.07 -0.60 0.74 116.25 118.07 3iwk h VAL 114 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3iwk h VAL 114 Cb 1.56 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3iwk h VAL 114 CO 0.16 0.00 -0.19 0.58 0.02 0.00 0.00 177.57 178.14 3iwk h VAL 115 N -0.13 0.53 -0.06 2.57 2.07 -1.38 -1.51 116.25 118.35 3iwk h VAL 115 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3iwk h VAL 115 Cb 0.21 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3iwk h VAL 115 CO -0.15 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.37 3iwk h ALA 116 N 0.63 1.78 -0.07 1.67 0.00 -1.28 -1.55 119.26 120.45 3iwk h ALA 116 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 116 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iwk h ALA 116 CO -0.20 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.16 3iwk h PHE 118 N -0.26 0.49 -0.60 0.00 0.04 -0.98 -1.61 116.94 114.04 3iwk h PHE 118 Ca 0.01 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.82 3iwk h PHE 118 Cb 0.53 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3iwk h PHE 118 CO 0.08 0.30 0.37 0.93 -0.60 0.00 0.00 178.31 179.40 3iwk h GLU 119 N 0.53 0.72 0.02 1.51 5.08 -1.30 0.33 114.58 121.47 3iwk h GLU 119 Ca 0.16 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3iwk h GLU 119 Cb -0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3iwk h GLU 119 CO -0.05 0.48 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.43 3iwk h TYR 120 N 0.74 -0.22 0.00 4.33 3.20 -0.50 -2.35 116.97 122.17 3iwk h TYR 120 Ca 0.23 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 3iwk h TYR 120 Cb -0.01 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3iwk h TYR 120 CO -0.05 -0.13 -0.25 1.88 -1.64 0.00 0.00 178.16 177.97 3iwk h TYR 121 N -0.16 0.00 -0.46 -3.82 -1.99 -1.16 -2.31 116.97 107.06 3iwk h TYR 121 Ca 0.03 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.78 3iwk h TYR 121 Cb 0.19 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3iwk h TYR 121 CO -0.15 0.25 0.28 0.00 -0.00 0.00 0.00 178.16 178.54 3iwk h ALA 122 N 1.75 0.59 -0.44 3.88 0.00 -0.69 -0.06 119.26 124.30 3iwk h ALA 122 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3iwk h ALA 122 Cb 0.79 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3iwk h ALA 122 CO 0.03 -0.03 0.20 0.78 0.00 0.00 0.00 179.25 180.23 3iwk h GLY 123 N 0.56 0.59 1.27 0.00 0.00 -0.89 -0.51 103.07 104.10 3iwk h GLY 123 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 3iwk h GLY 123 CO -0.08 0.08 0.19 1.41 0.00 0.00 0.00 176.54 178.14 3iwk h LEU 124 N 0.40 0.85 -0.48 3.11 4.07 -1.33 -2.41 115.31 119.51 3iwk h LEU 124 Ca 0.19 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 3iwk h LEU 124 Cb 0.13 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 3iwk h LEU 124 CO -0.16 0.80 0.17 0.00 -1.08 0.00 0.00 178.44 178.18 3iwk h ALA 125 N 1.32 0.63 -0.70 1.53 0.00 -0.48 -1.46 119.26 120.10 3iwk h ALA 125 Ca 0.20 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3iwk h ALA 125 Cb 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3iwk h ALA 125 CO -0.01 0.26 0.46 0.93 0.00 0.00 0.00 179.25 180.89 3iwk h GLU 126 N 0.64 0.68 0.00 0.00 5.08 -0.83 -2.69 114.58 117.46 3iwk h GLU 126 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iwk h GLU 126 Cb 0.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3iwk h GLU 126 CO -0.01 0.45 -0.68 0.39 -1.00 0.00 0.00 179.01 178.16 3iwk n GLU 127 N -4.48 0.25 -0.25 2.33 1.02 -0.93 -4.42 120.64 114.16 3iwk n GLU 127 Ca 0.10 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 3iwk n GLU 127 Cb 0.24 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.07 3iwk n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iwk h LEU 128 N 0.00 1.02 -1.12 -4.62 5.85 -0.91 -2.90 115.31 112.62 3iwk h LEU 128 Ca 0.00 -0.22 0.18 0.00 0.84 0.00 0.00 57.88 58.69 3iwk h LEU 128 Cb 0.71 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 3iwk h LEU 128 CO 0.00 0.97 0.61 0.44 -0.34 0.00 0.00 178.44 180.12 3iwk h ASP 129 N 1.02 0.72 1.52 1.25 3.32 -1.77 -0.69 116.42 121.79 3iwk h ASP 129 Ca 0.22 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3iwk h ASP 129 Cb 0.32 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3iwk h ASP 129 CO -0.00 0.28 0.00 0.77 -1.72 0.00 0.00 179.24 178.57 3iwk h SER 130 N 0.72 0.00 1.16 6.45 4.64 -1.81 -2.98 113.55 121.73 3iwk h SER 130 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3iwk h SER 130 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3iwk h SER 130 CO -0.32 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.93 3iwk n LYS 131 N -2.73 0.15 -1.35 4.77 4.01 -0.27 -4.88 118.16 117.85 3iwk n LYS 131 Ca 0.04 0.17 -0.32 0.00 -0.51 0.00 0.00 58.31 57.69 3iwk n LYS 131 Cb 0.43 -1.69 0.09 0.00 -0.51 0.00 0.00 35.03 33.34 3iwk n LYS 131 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3iwk s GLN 132 N -3.08 2.25 -1.84 1.97 -1.52 -1.13 -3.63 119.66 112.67 3iwk s GLN 132 Ca 0.11 1.34 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 3iwk s GLN 132 Cb 0.14 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 31.05 3iwk s GLN 132 CO 0.53 -1.67 0.00 1.63 -0.25 0.00 0.00 175.29 175.52 3iwk n LYS 133 N -3.21 -1.55 -1.69 2.91 5.02 -0.89 -4.91 118.16 113.84 3iwk n LYS 133 Ca 0.10 1.03 -0.42 0.00 -2.02 0.00 0.00 58.31 57.00 3iwk n LYS 133 Cb 0.52 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.68 3.38 0.62 7.82 0.00 -1.21 -4.66 121.76 125.03 3iwk s ALA 134 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 3iwk s ALA 134 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 3iwk s ALA 134 CO 0.00 -1.85 1.10 -1.25 0.00 0.00 0.00 175.76 173.77 3iwk s PRO 135 N 4.86 3.00 -0.18 0.00 0.04 -1.26 -1.58 135.00 139.88 3iwk s PRO 135 Ca 0.90 1.40 0.01 0.00 0.04 0.00 0.00 61.00 63.35 3iwk s PRO 135 Cb -0.39 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.19 3iwk s PRO 135 CO 0.39 -1.10 -0.20 0.42 0.04 0.00 0.00 177.00 176.56 3iwk s ILE 136 N -2.25 2.07 0.11 0.56 -1.09 0.03 -4.89 121.20 115.75 3iwk s ILE 136 Ca 0.67 -0.97 -0.31 0.00 -2.23 0.00 0.00 60.65 57.82 3iwk s ILE 136 Cb -0.20 -1.88 -0.07 0.00 -1.58 0.00 0.00 42.46 38.72 3iwk s ILE 136 CO 0.38 0.52 1.34 -0.94 -1.23 0.00 0.00 174.94 175.00 3iwk s SER 137 N 1.28 6.89 0.16 3.58 1.04 -1.26 -4.35 113.70 121.04 3iwk s SER 137 Ca 0.04 2.25 0.09 0.00 0.48 0.00 0.00 55.95 58.82 3iwk s SER 137 Cb -0.13 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 3iwk s SER 137 CO -0.13 -0.60 -0.12 -0.76 0.98 0.00 0.00 173.24 172.61 3iwk s LEU 138 N 1.02 2.89 -0.01 2.42 1.02 -1.26 -5.07 118.68 119.68 3iwk s LEU 138 Ca 0.63 -0.58 -0.25 0.00 0.02 0.00 0.00 54.13 53.94 3iwk s LEU 138 Cb -0.35 -1.61 -0.19 0.00 0.02 0.00 0.00 46.19 44.05 3iwk s LEU 138 CO 0.30 0.13 1.28 -0.65 0.02 0.00 0.00 176.35 177.43 3iwk h PRO 139 N 3.16 -0.05 -7.07 1.29 0.11 -1.96 -3.45 132.00 124.02 3iwk h PRO 139 Ca -0.47 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.19 3iwk h PRO 139 Cb 1.19 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iwk h PRO 139 CO 0.52 0.38 0.36 -1.64 -0.21 0.00 0.00 178.00 177.41 3iwk s MET 140 N -4.39 4.05 0.21 1.05 -1.94 -1.26 -4.98 119.30 112.04 3iwk s MET 140 Ca -0.15 1.19 0.24 0.00 -1.71 0.00 0.00 55.69 55.26 3iwk s MET 140 Cb 0.02 -2.15 0.28 0.00 2.01 0.00 0.00 34.83 34.99 3iwk s MET 140 CO 0.65 -0.19 1.33 -0.44 -0.01 0.00 0.00 175.02 176.36 3iwk h ASP 141 N 1.71 0.00 -0.06 3.03 3.45 -2.05 -3.35 116.42 119.15 3iwk h ASP 141 Ca -0.49 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 56.89 3iwk h ASP 141 Cb 1.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 3iwk h ASP 141 CO 0.60 0.04 0.00 0.35 -1.57 0.00 0.00 179.24 178.66 3iwk n THR 142 N -2.48 0.08 -4.06 0.35 -2.24 -1.26 -4.84 114.28 99.82 3iwk n THR 142 Ca 0.03 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3iwk n THR 142 Cb 0.49 -0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.92 0.62 -0.02 4.78 0.40 -1.26 -1.00 117.98 119.58 3iwk s PHE 143 Ca 0.28 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3iwk s PHE 143 Cb 0.14 -0.38 0.01 0.00 0.51 0.00 0.00 43.02 43.30 3iwk s PHE 143 CO 0.22 -0.12 -0.02 0.21 0.70 0.00 0.00 175.22 176.21 3iwk s LYS 144 N -1.84 0.34 -0.00 0.44 2.20 -0.34 -4.92 119.74 115.62 3iwk s LYS 144 Ca -0.08 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3iwk s LYS 144 Cb -0.08 -0.41 0.00 0.00 -1.51 0.00 0.00 37.83 35.83 3iwk s LYS 144 CO -0.01 -0.02 -0.01 0.45 -0.36 0.00 0.00 175.35 175.40 3iwk s SER 145 N 0.43 0.15 0.22 1.43 0.15 -1.26 0.48 113.70 115.30 3iwk s SER 145 Ca -0.04 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 3iwk s SER 145 Cb -0.07 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 3iwk s SER 145 CO -0.01 0.01 0.22 -0.72 1.20 0.00 0.00 173.24 173.95 3iwk s TYR 146 N 0.01 1.02 0.13 3.44 -0.85 -0.10 -0.79 117.35 120.22 3iwk s TYR 146 Ca 0.00 -1.26 0.07 0.00 -0.52 0.00 0.00 57.07 55.37 3iwk s TYR 146 Cb -0.01 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.90 3iwk s TYR 146 CO -0.00 -0.75 -0.08 0.96 -1.52 0.00 0.00 175.55 174.16 3iwk s ILE 147 N -4.05 3.39 -0.01 -3.49 -4.36 -0.61 -0.76 121.20 111.30 3iwk s ILE 147 Ca 0.35 -1.36 0.08 0.00 -0.26 0.00 0.00 60.65 59.46 3iwk s ILE 147 Cb 0.05 -2.62 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 3iwk s ILE 147 CO 0.13 0.04 -0.25 -0.76 0.24 0.00 0.00 174.94 174.33 3iwk s LEU 148 N -2.43 2.06 -0.45 0.37 1.43 -0.08 -2.09 118.68 117.49 3iwk s LEU 148 Ca 0.23 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3iwk s LEU 148 Cb -0.10 -1.29 0.09 0.00 0.03 0.00 0.00 46.19 44.92 3iwk s LEU 148 CO 0.15 0.30 0.33 -0.54 0.23 0.00 0.00 176.35 176.82 3iwk s LYS 149 N -0.67 2.68 0.06 1.70 1.02 -1.26 -0.91 119.74 122.35 3iwk s LYS 149 Ca 0.10 -1.53 0.02 0.00 0.02 0.00 0.00 55.97 54.58 3iwk s LYS 149 Cb -0.10 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 3iwk s LYS 149 CO -0.01 -1.06 0.06 -1.21 -0.92 0.00 0.00 175.35 172.21 3iwk s GLU 150 N 1.47 2.86 0.48 1.68 2.02 -0.73 -4.91 118.70 121.56 3iwk s GLU 150 Ca 0.04 -0.66 -0.24 0.00 0.02 0.00 0.00 54.97 54.12 3iwk s GLU 150 Cb -0.25 -2.72 -0.08 0.00 0.10 0.00 0.00 34.13 31.19 3iwk s GLU 150 CO 0.02 0.58 1.34 -0.35 0.02 0.00 0.00 175.26 176.88 3iwk n PRO 151 N 0.71 1.93 0.27 0.39 -0.04 -1.25 -0.41 135.00 136.59 3iwk n PRO 151 Ca -0.10 0.69 0.15 0.00 -0.04 0.00 0.00 63.50 64.20 3iwk n PRO 151 Cb 0.52 -2.52 0.72 0.00 -0.04 0.00 0.00 33.50 32.18 3iwk n PRO 151 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3iwk h ILE 152 N 1.88 0.34 0.00 0.52 6.09 -1.27 -3.42 117.51 121.66 3iwk h ILE 152 Ca -0.50 -0.59 0.00 0.00 -1.37 0.00 0.00 64.86 62.40 3iwk h ILE 152 Cb 1.29 1.44 0.00 0.00 0.47 0.00 0.00 36.82 40.02 3iwk h ILE 152 CO 0.59 0.10 0.00 0.61 -3.07 0.00 0.00 178.15 176.38 3iwk n GLY 153 N -0.36 0.26 3.70 8.18 0.00 -1.26 -4.84 105.19 110.86 3iwk n GLY 153 Ca -0.01 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 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 5.26 -0.08 1.61 1.01 -1.26 -2.21 120.40 124.73 3iwk s VAL 154 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.63 3iwk s VAL 154 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3iwk s VAL 154 CO 0.00 0.33 -0.23 0.68 0.00 0.00 0.00 175.10 175.88 3iwk s VAL 155 N 0.83 2.18 -0.34 2.92 -7.23 -0.11 -0.01 120.40 118.66 3iwk s VAL 155 Ca 0.17 -1.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.16 3iwk s VAL 155 Cb -0.14 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3iwk s VAL 155 CO 0.06 0.56 0.55 0.00 -0.31 0.00 0.00 175.10 175.95 3iwk s ALA 156 N 0.11 3.49 -0.36 1.32 0.00 0.04 -1.24 121.76 125.13 3iwk s ALA 156 Ca -0.11 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3iwk s ALA 156 Cb -0.16 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 19.98 3iwk s ALA 156 CO 0.06 -1.18 0.13 -0.51 0.00 0.00 0.00 175.76 174.27 3iwk s LEU 157 N 2.46 4.54 -0.20 0.00 1.02 0.06 0.25 118.68 126.81 3iwk s LEU 157 Ca 0.21 -1.32 -0.01 0.00 0.02 0.00 0.00 54.13 53.02 3iwk s LEU 157 Cb -0.15 -1.87 0.01 0.00 0.02 0.00 0.00 46.19 44.20 3iwk s LEU 157 CO 0.13 -0.38 -0.12 -0.63 0.02 0.00 0.00 176.35 175.36 3iwk s ILE 158 N 1.36 2.68 0.17 -0.59 1.01 -0.15 -0.32 121.20 125.36 3iwk s ILE 158 Ca -0.00 -0.77 0.09 0.00 0.00 0.00 0.00 60.65 59.97 3iwk s ILE 158 Cb -0.21 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3iwk s ILE 158 CO 0.01 0.46 -0.19 0.42 0.00 0.00 0.00 174.94 175.64 3iwk s THR 159 N 1.37 1.88 0.66 2.92 -4.23 -1.04 -2.02 115.64 115.17 3iwk s THR 159 Ca 0.05 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 3iwk s THR 159 Cb -0.14 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 71.89 3iwk s THR 159 CO -0.08 -0.30 0.93 -2.16 -0.54 0.00 0.00 174.62 172.47 3iwk s PRO 160 N -2.80 2.22 0.00 3.99 0.04 -1.20 -2.90 135.00 134.36 3iwk s PRO 160 Ca 0.16 -0.54 0.25 0.00 0.04 0.00 0.00 61.00 60.91 3iwk s PRO 160 Cb -0.06 -2.29 0.44 0.00 0.04 0.00 0.00 34.50 32.62 3iwk s PRO 160 CO 0.07 -1.10 1.37 -2.67 0.04 0.00 0.00 177.00 174.71 3iwk n TRP 161 N -2.72 0.00 0.08 0.56 4.27 -1.26 -4.01 117.44 114.36 3iwk n TRP 161 Ca 0.09 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.60 3iwk n TRP 161 Cb 0.60 -0.06 -0.11 0.00 -1.36 0.00 0.00 31.31 30.38 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 1.98 0.14 -2.13 -0.67 -1.07 -1.95 -3.34 115.58 108.55 3iwk h ASN 162 Ca 0.00 -0.15 -0.58 0.00 0.07 0.00 0.00 56.30 55.64 3iwk h ASN 162 Cb 0.63 -0.05 -0.40 0.00 -2.07 0.00 0.00 38.32 36.44 3iwk h ASN 162 CO 0.00 1.10 -0.92 -1.22 0.07 0.00 0.00 177.43 176.46 3iwk n TYR 163 N -3.44 1.02 0.00 4.14 4.01 -1.26 -5.02 117.16 116.62 3iwk n TYR 163 Ca -0.03 -3.76 -0.10 0.00 -0.16 0.00 0.00 57.90 53.85 3iwk n TYR 163 Cb 0.95 -0.39 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 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 4.21 -0.37 -0.03 -0.72 0.11 -1.70 0.14 132.00 133.64 3iwk h PRO 164 Ca 0.13 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 3iwk h PRO 164 Cb 0.81 0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.01 3iwk h PRO 164 CO 0.59 -0.25 -0.47 0.35 -0.21 0.00 0.00 178.00 178.01 3iwk h PHE 165 N -0.38 0.54 -0.47 0.65 3.04 -1.90 -3.13 116.94 115.28 3iwk h PHE 165 Ca 0.10 -0.27 -0.05 0.00 3.98 0.00 0.00 57.97 61.72 3iwk h PHE 165 Cb 0.53 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 3iwk h PHE 165 CO -0.39 1.06 0.09 1.25 -2.02 0.00 0.00 178.31 178.30 3iwk h LEU 166 N -0.14 0.74 -0.59 0.59 5.85 -1.79 -1.26 115.31 118.71 3iwk h LEU 166 Ca -0.05 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 3iwk h LEU 166 Cb 1.17 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3iwk h LEU 166 CO 0.09 0.80 -0.05 0.24 -0.34 0.00 0.00 178.44 179.19 3iwk h MET 167 N 0.65 1.07 -0.42 1.25 2.86 -0.86 0.01 114.93 119.49 3iwk h MET 167 Ca 0.15 -0.36 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3iwk h MET 167 Cb 0.37 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3iwk h MET 167 CO 0.01 1.07 0.25 0.00 1.06 0.00 0.00 176.91 179.29 3iwk h ALA 168 N 0.97 0.53 -0.69 6.32 0.00 -1.47 -3.02 119.26 121.90 3iwk h ALA 168 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 168 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3iwk h ALA 168 CO 0.04 -0.08 0.35 1.15 0.00 0.00 0.00 179.25 180.71 3iwk h THR 169 N 0.50 1.22 -0.58 0.00 2.02 -0.80 0.16 112.91 115.43 3iwk h THR 169 Ca 0.17 -0.59 0.17 0.00 0.77 0.00 0.00 66.41 66.93 3iwk h THR 169 Cb 0.01 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3iwk h THR 169 CO -0.08 0.25 0.57 -0.50 0.37 0.00 0.00 175.52 176.13 3iwk h TRP 170 N 0.95 0.00 0.00 3.16 4.06 -0.88 -1.59 115.95 121.65 3iwk h TRP 170 Ca 0.24 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.79 3iwk h TRP 170 Cb 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.18 3iwk h TRP 170 CO 0.00 0.00 -2.36 1.63 -3.56 0.00 0.00 178.44 174.15 3iwk n LYS 171 N -3.78 0.53 -0.19 0.49 5.02 -0.78 -4.53 118.16 114.93 3iwk n LYS 171 Ca 0.11 0.21 -0.09 0.00 -2.02 0.00 0.00 58.31 56.52 3iwk n LYS 171 Cb 0.79 -1.39 0.01 0.00 -0.02 0.00 0.00 35.03 34.42 3iwk n LYS 171 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3iwk h ILE 172 N -0.68 1.25 -0.14 -0.18 -0.00 -0.55 -1.85 117.51 115.35 3iwk h ILE 172 Ca -0.60 -0.95 -0.00 0.00 -0.00 0.00 0.00 64.86 63.31 3iwk h ILE 172 Cb 1.60 0.84 -0.01 0.00 -0.00 0.00 0.00 36.82 39.26 3iwk h ILE 172 CO -0.31 0.34 0.08 0.00 -0.00 0.00 0.00 178.15 178.26 3iwk h ALA 173 N 0.98 0.19 -0.18 0.16 0.00 -1.53 0.34 119.26 119.23 3iwk h ALA 173 Ca 0.16 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 173 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iwk h ALA 173 CO 0.01 -0.27 -0.41 -1.00 0.00 0.00 0.00 179.25 177.58 3iwk h PRO 174 N 0.13 0.40 0.12 0.00 0.13 -1.77 -1.92 132.00 129.09 3iwk h PRO 174 Ca 0.05 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 3iwk h PRO 174 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 3iwk h PRO 174 CO -0.01 0.75 -0.06 0.00 -0.23 0.00 0.00 178.00 178.45 3iwk h ALA 175 N 1.23 -0.16 -0.63 -0.56 0.00 -0.75 -0.28 119.26 118.11 3iwk h ALA 175 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 175 Cb 0.86 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3iwk h ALA 175 CO 0.07 -0.57 0.13 -0.07 0.00 0.00 0.00 179.25 178.81 3iwk h LEU 176 N -0.21 0.99 -1.03 0.00 3.38 -0.39 -1.66 115.31 116.38 3iwk h LEU 176 Ca -0.02 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 176 Cb 0.17 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3iwk h LEU 176 CO 0.03 0.98 0.65 0.00 0.09 0.00 0.00 178.44 180.19 3iwk h ALA 177 N 1.04 1.31 0.00 1.53 0.00 -1.19 -0.67 119.26 121.27 3iwk h ALA 177 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 177 Cb 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iwk h ALA 177 CO 0.01 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3iwk h ALA 178 N 1.39 1.00 0.00 0.00 0.00 -0.73 -3.44 119.26 117.48 3iwk h ALA 178 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3iwk h ALA 178 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3iwk h ALA 178 CO -0.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3iwk n GLY 179 N -0.11 1.01 3.86 0.00 0.00 -0.26 -3.90 105.19 105.78 3iwk n GLY 179 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.91 3.55 0.04 0.00 0.00 -0.94 -4.36 121.76 117.14 3iwk s ALA 181 Ca 0.57 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3iwk s ALA 181 Cb -0.10 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 3iwk s ALA 181 CO 0.43 0.62 -0.21 0.00 0.00 0.00 0.00 175.76 176.59 3iwk s ALA 182 N -0.99 1.82 -0.21 0.00 0.00 0.36 -0.93 121.76 121.82 3iwk s ALA 182 Ca 0.15 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3iwk s ALA 182 Cb -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3iwk s ALA 182 CO 0.05 0.42 -0.10 0.42 0.00 0.00 0.00 175.76 176.54 3iwk s ILE 183 N -0.76 2.87 -0.15 0.00 1.09 -0.37 -0.69 121.20 123.18 3iwk s ILE 183 Ca 0.08 -0.69 -0.11 0.00 -1.10 0.00 0.00 60.65 58.83 3iwk s ILE 183 Cb -0.09 -2.29 -0.05 0.00 -1.06 0.00 0.00 42.46 38.98 3iwk s ILE 183 CO 0.01 0.45 0.21 -0.22 -0.10 0.00 0.00 174.94 175.29 3iwk s LEU 184 N 1.40 4.28 -0.42 2.97 2.96 0.15 -0.76 118.68 129.26 3iwk s LEU 184 Ca 0.05 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3iwk s LEU 184 Cb -0.14 -2.22 0.12 0.00 0.50 0.00 0.00 46.19 44.45 3iwk s LEU 184 CO -0.07 0.21 0.17 -0.75 -1.32 0.00 0.00 176.35 174.60 3iwk s LYS 185 N -0.02 1.47 0.84 1.98 2.36 0.57 -1.17 119.74 125.78 3iwk s LYS 185 Ca 0.14 -2.02 -0.12 0.00 -2.55 0.00 0.00 55.97 51.41 3iwk s LYS 185 Cb -0.12 -2.83 0.10 0.00 -1.05 0.00 0.00 37.83 33.93 3iwk s LYS 185 CO 0.02 -1.06 1.18 -1.25 1.55 0.00 0.00 175.35 175.80 3iwk s PRO 186 N 0.49 1.68 0.40 4.03 0.05 -1.26 -2.48 135.00 137.90 3iwk s PRO 186 Ca 0.14 0.11 -0.26 0.00 0.05 0.00 0.00 61.00 61.04 3iwk s PRO 186 Cb -0.22 -1.92 -0.09 0.00 0.05 0.00 0.00 34.50 32.32 3iwk s PRO 186 CO -0.06 -1.79 1.22 0.45 0.05 0.00 0.00 177.00 176.87 3iwk s SER 187 N -4.49 6.47 0.37 6.66 0.15 -1.14 -4.55 113.70 117.17 3iwk s SER 187 Ca 0.63 2.48 0.26 0.00 0.70 0.00 0.00 55.95 60.03 3iwk s SER 187 Cb -0.11 -2.63 1.32 0.00 -1.71 0.00 0.00 66.02 62.89 3iwk s SER 187 CO 0.50 -0.73 1.80 1.05 1.20 0.00 0.00 173.24 177.07 3iwk h GLU 188 N 2.72 0.00 0.00 5.44 9.09 -1.94 -2.58 114.58 127.31 3iwk h GLU 188 Ca -0.49 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 58.86 3iwk h GLU 188 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 3iwk h GLU 188 CO 0.63 0.00 -0.56 -0.07 0.05 0.00 0.00 179.01 179.06 3iwk h LEU 189 N 0.00 0.00 -5.59 3.06 3.38 -1.93 -3.43 115.31 110.80 3iwk h LEU 189 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 189 Cb 0.13 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.66 3iwk h LEU 189 CO 0.00 0.23 -0.61 0.00 0.09 0.00 0.00 178.44 178.16 3iwk s ALA 190 N -3.13 -1.23 -0.51 1.53 0.00 -0.97 -4.70 121.76 112.75 3iwk s ALA 190 Ca 0.03 -0.81 0.11 0.00 0.00 0.00 0.00 51.96 51.30 3iwk s ALA 190 Cb 0.07 -2.41 -0.12 0.00 0.00 0.00 0.00 23.12 20.66 3iwk s ALA 190 CO 0.74 -2.17 0.47 0.43 0.00 0.00 0.00 175.76 175.22 3iwk n SER 191 N 3.30 0.60 0.13 0.00 7.64 -1.22 -4.43 113.62 119.65 3iwk n SER 191 Ca 0.19 -0.74 -0.12 0.00 1.01 0.00 0.00 58.87 59.21 3iwk n SER 191 Cb 0.53 1.02 -0.07 0.00 -1.01 0.00 0.00 64.21 64.68 3iwk n SER 191 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iwk h VAL 192 N 0.00 0.00 -0.34 0.44 2.07 -1.93 -1.81 116.25 114.68 3iwk h VAL 192 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3iwk h VAL 192 Cb 0.27 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3iwk h VAL 192 CO 0.00 0.00 0.22 0.71 0.02 0.00 0.00 177.57 178.52 3iwk h THR 193 N -0.59 1.09 -0.70 2.57 1.35 -1.88 -1.46 112.91 113.29 3iwk h THR 193 Ca -0.02 -0.18 -0.05 0.00 -0.55 0.00 0.00 66.41 65.61 3iwk h THR 193 Cb 0.55 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 3iwk h THR 193 CO -0.12 0.09 0.23 0.00 -0.25 0.00 0.00 175.52 175.47 3iwk h LEU 195 N 1.03 0.22 -1.11 0.00 3.38 -0.43 -2.32 115.31 116.08 3iwk h LEU 195 Ca 0.23 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3iwk h LEU 195 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3iwk h LEU 195 CO -0.01 0.46 -0.20 -0.33 0.09 0.00 0.00 178.44 178.45 3iwk h GLU 196 N 0.21 0.39 -0.23 1.13 4.39 -0.94 -1.91 114.58 117.61 3iwk h GLU 196 Ca 0.04 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.62 3iwk h GLU 196 Cb 0.52 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3iwk h GLU 196 CO 0.04 0.58 0.16 1.25 -1.16 0.00 0.00 179.01 179.87 3iwk h LEU 197 N 0.36 0.23 -0.25 1.33 5.85 -0.72 -1.59 115.31 120.52 3iwk h LEU 197 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3iwk h LEU 197 Cb 0.55 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3iwk h LEU 197 CO 0.04 0.16 0.16 1.23 -0.34 0.00 0.00 178.44 179.69 3iwk h GLY 198 N 0.27 0.36 1.03 3.75 0.00 -1.14 -1.56 103.07 105.78 3iwk h GLY 198 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 3iwk h GLY 198 CO -0.02 0.14 0.32 -2.09 0.00 0.00 0.00 176.54 174.89 3iwk h GLU 199 N 0.33 1.11 -0.68 4.80 4.57 -1.27 -2.19 114.58 121.25 3iwk h GLU 199 Ca 0.09 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3iwk h GLU 199 Cb -0.02 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.35 3iwk h GLU 199 CO -0.02 0.89 0.44 0.82 -1.18 0.00 0.00 179.01 179.97 3iwk h ILE 200 N 1.07 1.14 -0.59 2.32 2.04 -1.11 0.08 117.51 122.46 3iwk h ILE 200 Ca 0.25 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3iwk h ILE 200 Cb 0.18 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3iwk h ILE 200 CO -0.02 0.16 0.22 0.00 0.00 0.00 0.00 178.15 178.51 3iwk h LYS 202 N 0.86 0.00 0.00 0.00 3.64 -0.95 -1.84 116.57 118.29 3iwk h LYS 202 Ca 0.20 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3iwk h LYS 202 Cb 0.19 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3iwk h LYS 202 CO -0.02 0.28 -0.06 0.93 -2.27 0.00 0.00 179.45 178.32 3iwk h GLU 203 N -0.28 0.00 -0.02 1.90 5.08 -0.76 -2.18 114.58 118.32 3iwk h GLU 203 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iwk h GLU 203 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3iwk h GLU 203 CO 0.00 0.06 -0.18 0.28 -1.00 0.00 0.00 179.01 178.17 3iwk n VAL 204 N -4.18 0.00 -2.29 3.13 0.31 -0.62 -4.98 118.33 109.70 3iwk n VAL 204 Ca -0.03 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 3iwk n VAL 204 Cb 0.14 1.15 -0.00 0.00 -0.91 0.00 0.00 33.84 34.21 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 1.34 -0.17 3.64 2.92 0.00 -0.82 -4.98 105.19 107.13 3iwk n GLY 205 Ca 0.13 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.95 2.54 -4.65 0.99 7.94 -0.75 -4.86 117.00 116.27 3iwk n LEU 206 Ca -0.15 1.14 -0.45 0.00 -1.11 0.00 0.00 56.01 55.44 3iwk n LEU 206 Cb 0.62 -1.35 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 3iwk n LEU 206 CO 0.19 -0.78 0.91 -2.65 -1.11 0.00 0.00 177.39 173.94 3iwk n PRO 207 N 1.91 1.82 -1.74 1.96 -0.02 -1.26 -4.86 135.00 132.81 3iwk n PRO 207 Ca 0.13 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 3iwk n PRO 207 Cb 0.29 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3iwk n PRO 207 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3iwk n ARG 208 N 1.70 2.59 -0.48 -0.52 1.85 -1.26 -2.46 116.66 118.08 3iwk n ARG 208 Ca 0.11 0.92 0.00 0.00 -1.00 0.00 0.00 57.85 57.88 3iwk n ARG 208 Cb 0.31 -2.67 0.00 0.00 -1.05 0.00 0.00 32.46 29.04 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iwk n GLY 209 N 1.98 1.33 0.18 2.89 0.00 -1.26 -4.54 105.19 105.77 3iwk n GLY 209 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.21 1.61 2.07 -1.77 -3.27 116.25 112.98 3iwk h VAL 210 Ca 0.00 -2.36 -0.55 0.00 0.82 0.00 0.00 66.70 64.61 3iwk h VAL 210 Cb 0.00 2.50 -0.36 0.00 -1.52 0.00 0.00 31.29 31.91 3iwk h VAL 210 CO 0.00 0.72 -0.81 -0.22 0.02 0.00 0.00 177.57 177.28 3iwk s LEU 211 N -7.96 1.41 -0.04 2.57 2.96 -1.26 -0.49 118.68 115.88 3iwk s LEU 211 Ca -0.09 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3iwk s LEU 211 Cb 0.07 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.81 3iwk s LEU 211 CO 0.92 -0.07 -0.25 0.20 -1.32 0.00 0.00 176.35 175.83 3iwk s ASN 212 N 1.43 3.08 -0.25 3.68 -0.87 0.13 -4.72 114.94 117.42 3iwk s ASN 212 Ca 0.01 -0.49 0.02 0.00 -1.57 0.00 0.00 52.86 50.83 3iwk s ASN 212 Cb -0.13 -0.64 0.06 0.00 -0.02 0.00 0.00 41.25 40.52 3iwk s ASN 212 CO -0.06 0.28 -0.07 -0.63 -2.57 0.00 0.00 177.10 174.04 3iwk s ILE 213 N -0.35 1.86 -0.34 0.60 1.01 0.11 0.29 121.20 124.39 3iwk s ILE 213 Ca 0.02 -1.47 0.01 0.00 0.00 0.00 0.00 60.65 59.21 3iwk s ILE 213 Cb -0.12 -2.06 0.09 0.00 0.01 0.00 0.00 42.46 40.37 3iwk s ILE 213 CO 0.02 -0.09 0.05 -0.69 0.00 0.00 0.00 174.94 174.23 3iwk s VAL 214 N 1.24 2.66 0.38 2.92 1.01 -0.32 -1.87 120.40 126.43 3iwk s VAL 214 Ca -0.07 -1.97 -0.04 0.00 0.00 0.00 0.00 61.98 59.91 3iwk s VAL 214 Cb -0.19 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3iwk s VAL 214 CO -0.06 -0.43 0.66 0.42 0.00 0.00 0.00 175.10 175.68 3iwk s THR 215 N 1.07 4.98 -5.00 3.92 -4.23 -1.26 -4.27 115.64 110.84 3iwk s THR 215 Ca 0.04 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3iwk s THR 215 Cb -0.20 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.82 3iwk s THR 215 CO -0.05 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 3iwk n GLY 216 N -1.67 -0.89 3.76 3.99 0.00 -1.25 -0.47 105.19 108.67 3iwk n GLY 216 Ca -0.01 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 4.56 0.21 0.99 1.02 -1.26 -4.02 118.68 120.18 3iwk s LEU 217 Ca 0.00 2.22 -0.10 0.00 0.02 0.00 0.00 54.13 56.27 3iwk s LEU 217 Cb 0.00 -3.63 0.29 0.00 0.02 0.00 0.00 46.19 42.87 3iwk s LEU 217 CO 0.00 -0.10 1.70 1.23 0.02 0.00 0.00 176.35 179.19 3iwk h GLY 218 N 3.84 0.74 2.00 -3.19 0.00 -1.95 0.20 103.07 104.71 3iwk h GLY 218 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3iwk h GLY 218 CO 0.67 -0.13 0.00 1.12 0.00 0.00 0.00 176.54 178.20 3iwk h HIS 219 N 0.22 0.00 0.00 5.60 2.07 -1.95 0.19 115.15 121.29 3iwk h HIS 219 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 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 -0.27 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.98 3iwk n GLU 220 N -2.79 0.00 -0.28 5.12 1.02 -0.75 -4.40 120.64 118.55 3iwk n GLU 220 Ca 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 3iwk n GLU 220 Cb 0.36 -0.07 0.06 0.00 -0.02 0.00 0.00 31.44 31.77 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 1.00 0.24 0.62 0.00 -0.70 -1.92 119.26 116.50 3iwk h ALA 221 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iwk h ALA 221 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3iwk h ALA 221 CO 0.00 0.57 -0.11 0.78 0.00 0.00 0.00 179.25 180.48 3iwk h GLY 222 N 1.10 -0.34 0.94 0.00 0.00 -1.04 -1.80 103.07 101.92 3iwk h GLY 222 Ca 0.27 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.74 3iwk h GLY 222 CO -0.03 -0.12 0.50 0.00 0.00 0.00 0.00 176.54 176.89 3iwk h ALA 223 N 0.11 1.00 -0.90 3.60 0.00 -0.71 0.99 119.26 123.36 3iwk h ALA 223 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 223 Cb 0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3iwk h ALA 223 CO 0.05 0.35 0.58 0.77 0.00 0.00 0.00 179.25 181.01 3iwk h SER 224 N 1.01 0.99 0.09 0.00 0.02 -1.31 0.67 113.55 115.01 3iwk h SER 224 Ca 0.30 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3iwk h SER 224 Cb -0.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.26 3iwk h SER 224 CO -0.09 0.69 -0.04 0.25 -1.14 0.00 0.00 176.83 176.50 3iwk h LEU 225 N 1.16 -0.10 -1.42 5.07 5.85 -1.01 -2.75 115.31 122.12 3iwk h LEU 225 Ca 0.35 -0.46 0.12 0.00 0.84 0.00 0.00 57.88 58.73 3iwk h LEU 225 Cb -0.05 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3iwk h LEU 225 CO -0.10 0.45 0.51 0.00 -0.34 0.00 0.00 178.44 178.97 3iwk h ALA 226 N 0.09 1.89 0.00 1.25 0.00 -0.71 -2.32 119.26 119.45 3iwk h ALA 226 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 226 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3iwk h ALA 226 CO 0.02 -0.07 -0.12 0.77 0.00 0.00 0.00 179.25 179.85 3iwk h SER 227 N 0.61 0.00 -2.44 0.00 0.02 -0.88 -3.43 113.55 107.44 3iwk h SER 227 Ca 0.38 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.78 3iwk h SER 227 Cb 0.61 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.19 3iwk h SER 227 CO -0.14 0.12 1.05 1.57 -1.14 0.00 0.00 176.83 178.28 3iwk n HIS 228 N -3.15 2.56 0.28 3.45 -0.00 -0.87 -4.88 115.22 112.61 3iwk n HIS 228 Ca 0.03 -0.04 0.17 0.00 -0.00 0.00 0.00 57.72 57.87 3iwk n HIS 228 Cb 0.53 -2.69 0.83 0.00 -0.00 0.00 0.00 29.99 28.66 3iwk n HIS 228 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3iwk h PRO 229 N 7.94 0.00 0.00 1.57 0.13 -1.91 -2.94 132.00 136.79 3iwk h PRO 229 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iwk h PRO 229 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3iwk h PRO 229 CO 0.94 0.00 -0.91 -0.25 -0.23 0.00 0.00 178.00 177.55 3iwk n ASP 230 N -2.69 0.82 -4.73 1.44 8.00 -1.26 -4.88 116.55 113.25 3iwk n ASP 230 Ca -0.01 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.33 3iwk n ASP 230 Cb 0.12 0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 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 -3.03 3.03 -0.15 2.53 1.01 -1.11 -4.71 120.40 117.96 3iwk s VAL 231 Ca 0.08 0.82 0.19 0.00 0.00 0.00 0.00 61.98 63.07 3iwk s VAL 231 Cb 0.16 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.90 3iwk s VAL 231 CO 0.83 0.11 0.82 0.47 0.00 0.00 0.00 175.10 177.32 3iwk n ASP 232 N 2.95 0.73 -3.65 3.32 8.00 0.99 -4.96 116.55 123.93 3iwk n ASP 232 Ca 0.08 0.31 -0.11 0.00 0.71 0.00 0.00 54.79 55.77 3iwk n ASP 232 Cb 0.42 0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.91 3iwk n ASP 232 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iwk s LYS 233 N -3.10 0.72 -0.14 -1.24 2.36 -1.14 -4.06 119.74 113.14 3iwk s LYS 233 Ca -0.03 1.00 -0.03 0.00 -2.55 0.00 0.00 55.97 54.36 3iwk s LYS 233 Cb 0.09 0.27 -0.03 0.00 -1.05 0.00 0.00 37.83 37.11 3iwk s LYS 233 CO 0.81 -0.11 -0.05 0.42 1.55 0.00 0.00 175.35 177.98 3iwk s ILE 234 N 0.83 3.83 -0.19 5.43 1.01 -0.87 -0.78 121.20 130.46 3iwk s ILE 234 Ca -0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 3iwk s ILE 234 Cb -0.05 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.77 3iwk s ILE 234 CO -0.07 0.51 -0.15 -0.55 0.00 0.00 0.00 174.94 174.68 3iwk s SER 235 N 0.22 3.51 -0.02 3.58 0.15 0.14 -1.71 113.70 119.57 3iwk s SER 235 Ca -0.03 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.10 3iwk s SER 235 Cb -0.14 -1.56 -0.01 0.00 -1.71 0.00 0.00 66.02 62.61 3iwk s SER 235 CO 0.03 0.01 -0.12 0.12 1.20 0.00 0.00 173.24 174.47 3iwk s PHE 236 N 1.27 1.18 -0.09 3.44 5.36 -0.38 -0.98 117.98 127.80 3iwk s PHE 236 Ca 0.04 -0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 55.73 3iwk s PHE 236 Cb -0.14 -0.79 0.03 0.00 -0.34 0.00 0.00 43.02 41.79 3iwk s PHE 236 CO -0.09 -0.06 0.01 0.99 -1.46 0.00 0.00 175.22 174.61 3iwk s THR 237 N -0.11 0.35 -2.26 0.12 2.01 -0.86 -1.22 115.64 113.67 3iwk s THR 237 Ca 0.01 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3iwk s THR 237 Cb -0.07 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.86 3iwk s THR 237 CO 0.00 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 3iwk n GLY 238 N 5.15 -0.61 3.78 4.40 0.00 -0.70 -3.25 105.19 113.96 3iwk n GLY 238 Ca -0.07 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 5.28 0.12 1.61 1.04 -1.26 -3.40 113.70 113.09 3iwk s SER 239 Ca 0.00 1.93 -0.24 0.00 0.48 0.00 0.00 55.95 58.12 3iwk s SER 239 Cb 0.00 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 3iwk s SER 239 CO 0.00 -1.51 1.67 0.28 0.98 0.00 0.00 173.24 174.66 3iwk h SER 240 N 0.08 -0.50 -0.57 7.02 0.02 -1.93 -1.17 113.55 116.50 3iwk h SER 240 Ca -0.47 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.62 3iwk h SER 240 Cb 1.24 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.93 3iwk h SER 240 CO 0.55 -0.23 0.27 0.00 -1.14 0.00 0.00 176.83 176.27 3iwk h ALA 241 N 0.64 0.74 -0.40 3.77 0.00 -1.99 -1.54 119.26 120.48 3iwk h ALA 241 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 241 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iwk h ALA 241 CO -0.16 -0.11 -0.19 1.15 0.00 0.00 0.00 179.25 179.95 3iwk h THR 242 N 0.50 1.28 -0.49 0.00 2.02 -1.93 -2.57 112.91 111.72 3iwk h THR 242 Ca 0.27 -1.32 0.08 0.00 0.77 0.00 0.00 66.41 66.21 3iwk h THR 242 Cb 0.24 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 3iwk h THR 242 CO -0.22 0.44 0.10 1.23 0.37 0.00 0.00 175.52 177.44 3iwk h GLY 243 N 0.64 0.59 0.99 2.16 0.00 -0.72 0.17 103.07 106.91 3iwk h GLY 243 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3iwk h GLY 243 CO 0.06 -0.07 0.64 0.23 0.00 0.00 0.00 176.54 177.41 3iwk h SER 244 N 0.23 1.11 -0.11 0.19 0.87 -1.23 -1.06 113.55 113.55 3iwk h SER 244 Ca 0.24 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 3iwk h SER 244 Cb 0.32 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3iwk h SER 244 CO -0.32 0.80 -0.26 0.11 -0.53 0.00 0.00 176.83 176.63 3iwk h LYS 245 N 1.31 0.57 -0.06 2.24 1.57 -0.84 -0.27 116.57 121.08 3iwk h LYS 245 Ca 0.36 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3iwk h LYS 245 Cb -0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3iwk h LYS 245 CO -0.08 0.78 0.02 0.82 -0.57 0.00 0.00 179.45 180.41 3iwk h ILE 246 N 0.50 1.18 -0.59 1.86 1.08 -0.30 -1.58 117.51 119.65 3iwk h ILE 246 Ca 0.07 -0.53 -0.05 0.00 -0.39 0.00 0.00 64.86 63.96 3iwk h ILE 246 Cb 0.71 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 3iwk h ILE 246 CO 0.05 0.15 0.16 -0.03 -0.69 0.00 0.00 178.15 177.79 3iwk h MET 247 N -0.11 0.91 -0.80 2.37 4.05 -1.14 -0.07 114.93 120.15 3iwk h MET 247 Ca 0.02 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 3iwk h MET 247 Cb 0.22 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 3iwk h MET 247 CO -0.00 0.81 0.43 1.15 0.23 0.00 0.00 176.91 179.53 3iwk h THR 248 N 0.88 1.23 -0.11 -0.77 2.02 -0.91 -0.62 112.91 114.63 3iwk h THR 248 Ca 0.19 -0.59 -0.21 0.00 0.77 0.00 0.00 66.41 66.57 3iwk h THR 248 Cb 0.30 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3iwk h THR 248 CO -0.00 0.26 -0.77 0.74 0.37 0.00 0.00 175.52 176.12 3iwk h THR 249 N 1.11 1.30 -0.22 3.16 2.02 -0.72 -3.17 112.91 116.39 3iwk h THR 249 Ca 0.28 -2.00 -0.06 0.00 0.77 0.00 0.00 66.41 65.40 3iwk h THR 249 Cb 0.03 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3iwk h THR 249 CO -0.05 0.62 -0.14 0.00 0.37 0.00 0.00 175.52 176.32 3iwk h ALA 250 N 0.49 1.34 -0.91 6.16 0.00 -0.82 -2.79 119.26 122.73 3iwk h ALA 250 Ca -0.07 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.69 3iwk h ALA 250 Cb 1.41 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 3iwk h ALA 250 CO 0.16 0.44 0.59 0.00 0.00 0.00 0.00 179.25 180.44 3iwk h ALA 251 N 1.51 1.62 -0.95 0.00 0.00 -1.09 0.29 119.26 120.64 3iwk h ALA 251 Ca 0.07 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.18 3iwk h ALA 251 Cb 0.46 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 3iwk h ALA 251 CO 0.03 0.19 0.51 1.96 0.00 0.00 0.00 179.25 181.94 3iwk h GLN 252 N 0.91 0.55 -0.06 0.00 4.20 -1.53 -1.78 115.11 117.40 3iwk h GLN 252 Ca 0.43 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3iwk h GLN 252 Cb 0.42 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3iwk h GLN 252 CO -0.19 0.37 0.00 1.28 -0.67 0.00 0.00 178.83 179.62 3iwk n LEU 253 N -4.91 2.51 -3.80 1.46 4.32 -0.91 -5.00 117.00 110.67 3iwk n LEU 253 Ca 0.23 -2.70 -0.25 0.00 -0.02 0.00 0.00 56.01 53.28 3iwk n LEU 253 Cb 0.63 -0.31 0.03 0.00 -1.62 0.00 0.00 43.42 42.15 3iwk n LEU 253 CO 0.17 0.65 -0.01 0.52 -1.22 0.00 0.00 177.39 177.49 3iwk n VAL 254 N -0.90 -3.48 -2.82 4.08 0.31 0.70 -4.95 118.33 111.27 3iwk n VAL 254 Ca 0.12 -0.32 -0.40 0.00 -0.01 0.00 0.00 64.34 63.73 3iwk n VAL 254 Cb 0.55 -3.36 -0.06 0.00 -0.91 0.00 0.00 33.84 30.06 3iwk n VAL 254 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3iwk s LYS 255 N -6.25 4.77 0.67 5.55 -0.14 0.51 -4.97 119.74 119.88 3iwk s LYS 255 Ca 0.25 1.39 -0.15 0.00 -1.36 0.00 0.00 55.97 56.10 3iwk s LYS 255 Cb -0.12 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.76 3iwk s LYS 255 CO 0.82 0.54 1.12 -1.25 -0.76 0.00 0.00 175.35 175.82 3iwk s PRO 256 N -1.17 2.70 -0.08 -1.68 0.04 -1.26 -4.65 135.00 128.91 3iwk s PRO 256 Ca 0.39 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 3iwk s PRO 256 Cb -0.25 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3iwk s PRO 256 CO 0.30 -1.33 0.28 0.08 0.04 0.00 0.00 177.00 176.38 3iwk s VAL 257 N -2.33 0.02 -0.01 -0.36 1.01 -1.26 -2.05 120.40 115.42 3iwk s VAL 257 Ca 0.67 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.54 3iwk s VAL 257 Cb -0.21 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3iwk s VAL 257 CO 0.42 -0.10 -0.19 -0.94 0.00 0.00 0.00 175.10 174.30 3iwk s SER 258 N -0.34 2.18 -0.05 3.32 1.04 -0.69 -4.91 113.70 114.24 3iwk s SER 258 Ca -0.05 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3iwk s SER 258 Cb -0.03 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3iwk s SER 258 CO 0.01 0.22 -0.02 -0.76 0.98 0.00 0.00 173.24 173.67 3iwk s LEU 259 N -0.50 1.06 -0.31 2.42 1.43 -0.72 -1.24 118.68 120.82 3iwk s LEU 259 Ca 0.07 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3iwk s LEU 259 Cb -0.07 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.79 3iwk s LEU 259 CO -0.01 -0.11 0.05 -0.70 0.23 0.00 0.00 176.35 175.82 3iwk s GLU 260 N 1.26 2.67 0.00 1.70 2.12 -0.36 -2.26 118.70 123.84 3iwk s GLU 260 Ca -0.06 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.15 3iwk s GLU 260 Cb -0.13 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.95 3iwk s GLU 260 CO -0.02 -0.58 0.00 1.28 -0.54 0.00 0.00 175.26 175.40 3iwk n LEU 261 N 4.75 0.00 0.00 2.70 4.77 0.40 -1.72 117.00 127.91 3iwk n LEU 261 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3iwk n LEU 261 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3iwk n LEU 261 CO 0.29 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3iwk n GLY 262 N 5.00 -2.98 3.81 -0.72 0.00 -1.22 -4.83 105.19 104.26 3iwk n GLY 262 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.88 -0.10 -0.42 -0.02 0.00 -1.21 -4.51 107.32 99.19 3iwk s GLY 263 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.63 3iwk s GLY 263 CO 0.00 0.07 0.61 1.17 0.00 0.00 0.00 173.10 174.95 3iwk n LYS 264 N -0.49 0.70 -2.56 2.90 3.00 -1.26 -4.54 118.16 115.92 3iwk n LYS 264 Ca -0.05 -2.82 -0.40 0.00 -0.00 0.00 0.00 58.31 55.03 3iwk n LYS 264 Cb 0.60 -1.30 -0.05 0.00 0.00 0.00 0.00 35.03 34.28 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 -1.22 7.36 0.06 3.14 0.01 -1.12 -4.81 113.70 117.12 3iwk s SER 265 Ca 0.34 2.12 -0.10 0.00 1.31 0.00 0.00 55.95 59.62 3iwk s SER 265 Cb 0.18 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.74 3iwk s SER 265 CO -0.15 -0.10 0.40 -2.16 0.41 0.00 0.00 173.24 171.64 3iwk s PRO 266 N -0.96 3.78 -0.21 12.44 0.04 -1.26 -1.49 135.00 147.35 3iwk s PRO 266 Ca 0.45 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 3iwk s PRO 266 Cb -0.29 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.22 3iwk s PRO 266 CO 0.37 0.58 -0.11 -1.50 0.04 0.00 0.00 177.00 176.37 3iwk s ILE 267 N -1.35 2.75 -0.31 0.56 2.07 -0.11 -0.40 121.20 124.41 3iwk s ILE 267 Ca 0.31 -0.74 -0.11 0.00 -1.41 0.00 0.00 60.65 58.71 3iwk s ILE 267 Cb -0.14 -2.23 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 3iwk s ILE 267 CO 0.17 0.45 0.19 -0.69 -1.91 0.00 0.00 174.94 173.15 3iwk s VAL 268 N 1.38 4.95 -0.24 4.00 1.01 0.82 -0.65 120.40 131.67 3iwk s VAL 268 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 3iwk s VAL 268 Cb -0.14 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3iwk s VAL 268 CO -0.08 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 174.45 3iwk s VAL 269 N 1.68 4.06 0.62 2.92 1.01 -0.39 -0.23 120.40 130.06 3iwk s VAL 269 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3iwk s VAL 269 Cb -0.17 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.39 3iwk s VAL 269 CO 0.08 0.36 0.86 -0.36 0.00 0.00 0.00 175.10 176.05 3iwk s PHE 270 N 1.58 2.42 0.22 5.22 0.08 -0.31 -1.90 117.98 125.30 3iwk s PHE 270 Ca 0.06 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.04 3iwk s PHE 270 Cb -0.15 -2.85 0.21 0.00 -0.57 0.00 0.00 43.02 39.66 3iwk s PHE 270 CO 0.02 -1.19 1.55 1.05 -0.10 0.00 0.00 175.22 176.55 3iwk h GLU 271 N -0.17 0.41 -5.15 0.44 9.09 -1.92 -3.39 114.58 113.91 3iwk h GLU 271 Ca -0.40 -0.25 -0.69 0.00 0.05 0.00 0.00 59.36 58.06 3iwk h GLU 271 Cb 1.29 0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 28.35 3iwk h GLU 271 CO 0.49 0.85 2.56 -0.40 0.05 0.00 0.00 179.01 182.55 3iwk n ASP 272 N -3.95 4.52 -3.69 3.06 5.75 -1.26 -4.88 116.55 116.10 3iwk n ASP 272 Ca -0.03 -2.89 -0.13 0.00 -0.01 0.00 0.00 54.79 51.73 3iwk n ASP 272 Cb 0.58 -1.71 -0.09 0.00 -1.03 0.00 0.00 41.12 38.87 3iwk n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3iwk s VAL 273 N 3.87 -0.00 -0.59 2.12 1.01 -1.26 -1.83 120.40 123.73 3iwk s VAL 273 Ca 0.51 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 3iwk s VAL 273 Cb 0.08 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3iwk s VAL 273 CO 0.02 0.00 1.56 -0.62 0.00 0.00 0.00 175.10 176.06 3iwk s ASP 274 N 0.29 5.84 0.28 3.32 -1.08 -1.26 -4.89 116.67 119.17 3iwk s ASP 274 Ca -0.00 0.25 -0.00 0.00 -0.52 0.00 0.00 52.55 52.28 3iwk s ASP 274 Cb -0.04 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.38 3iwk s ASP 274 CO 0.01 -1.95 1.88 -0.07 0.52 0.00 0.00 175.17 175.56 3iwk h LEU 275 N 14.19 0.96 -0.40 -1.34 4.07 -1.99 -2.15 115.31 128.66 3iwk h LEU 275 Ca -0.27 0.02 -0.18 0.00 0.08 0.00 0.00 57.88 57.53 3iwk h LEU 275 Cb 1.11 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 3iwk h LEU 275 CO 1.20 0.59 -0.64 0.44 -1.08 0.00 0.00 178.44 178.94 3iwk h ASP 276 N 1.08 0.68 0.06 -0.43 3.32 -1.98 0.98 116.42 120.12 3iwk h ASP 276 Ca 0.44 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3iwk h ASP 276 Cb 0.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3iwk h ASP 276 CO -0.19 1.15 -0.03 0.11 -1.72 0.00 0.00 179.24 178.56 3iwk h LYS 277 N 0.44 -0.07 0.00 3.56 1.57 -1.83 -2.71 116.57 117.53 3iwk h LYS 277 Ca -0.01 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3iwk h LYS 277 Cb 1.21 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3iwk h LYS 277 CO 0.12 0.24 -0.29 -0.39 -0.57 0.00 0.00 179.45 178.56 3iwk h VAL 278 N -0.40 0.66 -0.57 0.50 -1.51 -1.48 -2.90 116.25 110.56 3iwk h VAL 278 Ca -0.01 -1.36 0.07 0.00 -1.23 0.00 0.00 66.70 64.17 3iwk h VAL 278 Cb 0.35 1.89 -0.06 0.00 -2.13 0.00 0.00 31.29 31.35 3iwk h VAL 278 CO 0.01 0.29 0.26 0.00 -1.23 0.00 0.00 177.57 176.90 3iwk h ALA 279 N 1.71 0.74 -0.80 5.19 0.00 -0.73 -0.50 119.26 124.87 3iwk h ALA 279 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3iwk h ALA 279 Cb 0.87 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3iwk h ALA 279 CO 0.04 -0.11 0.34 1.49 0.00 0.00 0.00 179.25 181.01 3iwk h GLU 280 N 0.49 1.18 -0.57 0.00 4.81 -1.28 -2.55 114.58 116.67 3iwk h GLU 280 Ca 0.27 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3iwk h GLU 280 Cb 0.24 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3iwk h GLU 280 CO -0.22 0.94 0.18 -1.49 -0.73 0.00 0.00 179.01 177.70 3iwk h TRP 281 N 1.15 0.91 -0.23 0.92 4.06 -1.20 0.97 115.95 122.53 3iwk h TRP 281 Ca 0.27 -0.09 -0.17 0.00 2.06 0.00 0.00 58.89 60.96 3iwk h TRP 281 Cb 0.19 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.08 3iwk h TRP 281 CO 0.02 0.76 -0.55 1.79 -3.56 0.00 0.00 178.44 176.90 3iwk h THR 282 N 0.79 1.30 -0.74 1.49 1.35 -1.08 0.50 112.91 116.53 3iwk h THR 282 Ca 0.18 -1.77 -0.06 0.00 -0.55 0.00 0.00 66.41 64.22 3iwk h THR 282 Cb 0.27 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 3iwk h THR 282 CO -0.01 0.56 0.24 0.58 -0.25 0.00 0.00 175.52 176.64 3iwk h VAL 283 N 0.53 1.26 -0.05 6.82 2.07 -1.34 -2.13 116.25 123.41 3iwk h VAL 283 Ca 0.01 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3iwk h VAL 283 Cb 1.12 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3iwk h VAL 283 CO 0.11 0.36 0.02 0.15 0.02 0.00 0.00 177.57 178.23 3iwk h PHE 284 N 1.11 0.07 -0.04 1.57 3.04 -0.52 0.11 116.94 122.28 3iwk h PHE 284 Ca 0.24 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.20 3iwk h PHE 284 Cb 0.31 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 3iwk h PHE 284 CO 0.03 0.20 0.13 0.78 -2.02 0.00 0.00 178.31 177.42 3iwk h GLY 285 N -0.08 0.00 0.00 2.40 0.00 0.28 -2.48 103.07 103.19 3iwk h GLY 285 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3iwk h GLY 285 CO -0.00 0.00 -1.04 0.00 0.00 0.00 0.00 176.54 175.50 3iwk n PHE 287 N -2.03 0.00 -1.63 0.00 0.99 0.37 -3.76 117.46 111.39 3iwk n PHE 287 Ca -0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.06 3iwk n PHE 287 Cb 0.52 -0.41 0.05 0.00 -1.00 0.00 0.00 39.48 38.64 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 -2.12 1.05 -2.71 1.38 -0.00 -0.94 -1.85 117.46 112.27 3iwk n PHE 288 Ca -0.03 0.45 -0.18 0.00 -0.00 0.00 0.00 57.45 57.69 3iwk n PHE 288 Cb 0.51 -2.18 0.00 0.00 -0.00 0.00 0.00 39.48 37.82 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 -1.54 -0.97 -2.78 -2.13 -1.04 -1.26 -0.96 114.28 103.60 3iwk n THR 289 Ca 0.13 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.93 3iwk n THR 289 Cb 0.46 -2.26 0.01 0.00 -1.82 0.00 0.00 70.33 66.73 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 -5.83 0.00 8.00 3.02 -0.77 -1.56 115.26 116.07 3iwk n ASN 290 Ca -0.13 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3iwk n ASN 290 Cb 0.61 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 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 -1.28 1.05 2.52 7.41 0.00 -0.14 -2.86 105.19 111.89 3iwk n GLY 291 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 2.42 -4.07 1.61 6.02 -0.60 -3.36 117.38 117.40 3iwk n GLN 292 Ca 0.00 -2.45 -0.35 0.00 -0.01 0.00 0.00 57.00 54.19 3iwk n GLN 292 Cb 0.00 -2.15 -0.09 0.00 1.02 0.00 0.00 30.24 29.02 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 -2.55 4.79 0.22 5.09 1.01 -1.26 -4.81 121.20 123.69 3iwk s ILE 293 Ca 0.58 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 3iwk s ILE 293 Cb 0.39 -3.12 0.17 0.00 0.01 0.00 0.00 42.46 39.91 3iwk s ILE 293 CO -0.24 0.52 1.82 0.00 0.00 0.00 0.00 174.94 177.04 3iwk n SER 295 N -4.73 4.28 -4.65 0.00 3.41 -1.26 -3.31 113.62 107.36 3iwk n SER 295 Ca 0.10 -2.54 -0.52 0.00 -0.26 0.00 0.00 58.87 55.66 3iwk n SER 295 Cb 0.18 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 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 0.67 -0.04 -2.67 7.33 0.00 -0.97 -4.65 120.51 120.18 3iwk n ALA 296 Ca 0.21 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.66 3iwk n ALA 296 Cb 0.86 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.79 4.33 -2.59 0.00 -4.23 -0.25 -2.81 115.64 111.88 3iwk s THR 297 Ca 0.88 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.64 3iwk s THR 297 Cb -0.89 -5.11 0.34 0.00 1.34 0.00 0.00 72.50 68.18 3iwk s THR 297 CO 0.50 -1.92 1.49 -1.54 -0.54 0.00 0.00 174.62 172.61 3iwk n SER 298 N 7.75 2.08 -4.08 3.99 3.41 -0.55 -4.31 113.62 121.90 3iwk n SER 298 Ca 0.45 -1.64 -0.33 0.00 -0.26 0.00 0.00 58.87 57.09 3iwk n SER 298 Cb 0.46 0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.08 2.00 -0.18 4.33 0.52 -1.02 -1.23 118.95 121.30 3iwk s ARG 299 Ca 0.31 -1.57 -0.24 0.00 -0.52 0.00 0.00 55.73 53.72 3iwk s ARG 299 Cb 0.20 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 3iwk s ARG 299 CO 0.36 -0.77 0.75 -1.17 0.02 0.00 0.00 175.30 174.49 3iwk s LEU 300 N 1.07 4.17 -0.54 2.53 0.20 0.62 -0.94 118.68 125.80 3iwk s LEU 300 Ca 0.01 1.05 0.02 0.00 0.69 0.00 0.00 54.13 55.89 3iwk s LEU 300 Cb -0.20 -3.10 0.14 0.00 -0.43 0.00 0.00 46.19 42.59 3iwk s LEU 300 CO -0.05 -0.34 0.30 -0.63 -0.29 0.00 0.00 176.35 175.34 3iwk s ILE 301 N 2.01 2.95 0.01 6.68 1.01 0.18 -0.24 121.20 133.80 3iwk s ILE 301 Ca 0.35 -3.12 -0.07 0.00 0.00 0.00 0.00 60.65 57.81 3iwk s ILE 301 Cb -0.16 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3iwk s ILE 301 CO 0.12 -0.81 0.27 -0.69 0.00 0.00 0.00 174.94 173.83 3iwk s VAL 302 N -0.11 5.30 0.17 2.92 1.01 -0.45 -1.26 120.40 127.98 3iwk s VAL 302 Ca 0.16 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 3iwk s VAL 302 Cb -0.24 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 3iwk s VAL 302 CO -0.02 0.37 1.53 -2.28 0.00 0.00 0.00 175.10 174.70 3iwk s HIS 303 N -1.29 3.08 0.31 5.22 2.46 -0.80 -1.40 115.29 122.87 3iwk s HIS 303 Ca 0.27 0.73 0.08 0.00 0.47 0.00 0.00 55.06 56.61 3iwk s HIS 303 Cb -0.13 -3.88 0.83 0.00 -0.13 0.00 0.00 32.58 29.27 3iwk s HIS 303 CO 0.16 -3.17 1.72 1.05 -2.47 0.00 0.00 174.74 172.03 3iwk h GLU 304 N 6.56 0.52 0.00 2.88 4.11 -1.53 -1.91 114.58 125.22 3iwk h GLU 304 Ca -0.43 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 3iwk h GLU 304 Cb 1.21 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iwk h GLU 304 CO 0.89 0.35 -0.10 0.66 0.07 0.00 0.00 179.01 180.88 3iwk h SER 305 N 0.54 0.00 -0.03 3.06 4.64 -1.91 -2.77 113.55 117.08 3iwk h SER 305 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3iwk h SER 305 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3iwk h SER 305 CO -0.48 0.10 0.00 2.30 -0.87 0.00 0.00 176.83 177.87 3iwk n ILE 306 N -3.85 0.12 -0.01 0.95 -5.35 -0.79 -4.81 119.36 105.62 3iwk n ILE 306 Ca -0.02 -0.56 -0.09 0.00 -0.27 0.00 0.00 62.75 61.81 3iwk n ILE 306 Cb 0.19 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.13 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 1.28 -0.13 -0.12 -1.28 0.00 -1.07 -1.76 119.26 116.19 3iwk h ALA 307 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 307 Cb 0.32 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iwk h ALA 307 CO 0.00 -0.65 0.02 -0.24 0.00 0.00 0.00 179.25 178.39 3iwk h VAL 308 N -0.24 1.20 -0.01 0.00 3.04 -1.87 -0.86 116.25 117.51 3iwk h VAL 308 Ca 0.10 -0.64 -0.16 0.00 -1.01 0.00 0.00 66.70 65.00 3iwk h VAL 308 Cb 0.40 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 3iwk h VAL 308 CO -0.29 0.19 -0.73 1.05 -1.01 0.00 0.00 177.57 176.78 3iwk h GLU 309 N -0.02 0.08 -0.04 4.17 4.11 -1.92 -2.03 114.58 118.93 3iwk h GLU 309 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 3iwk h GLU 309 Cb 0.27 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3iwk h GLU 309 CO 0.00 0.77 0.00 0.35 0.07 0.00 0.00 179.01 180.21 3iwk h PHE 310 N 0.05 0.07 -0.27 2.06 3.57 -1.22 -1.09 116.94 120.12 3iwk h PHE 310 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3iwk h PHE 310 Cb 1.29 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3iwk h PHE 310 CO 0.01 0.33 0.02 0.28 -2.23 0.00 0.00 178.31 176.73 3iwk h VAL 311 N -0.21 1.15 -0.72 1.41 2.07 -1.18 0.99 116.25 119.76 3iwk h VAL 311 Ca 0.01 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 3iwk h VAL 311 Cb 0.30 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3iwk h VAL 311 CO 0.00 0.20 0.19 -0.78 0.02 0.00 0.00 177.57 177.20 3iwk h ASP 312 N 0.39 1.07 -0.31 0.57 1.82 -1.24 -0.72 116.42 118.01 3iwk h ASP 312 Ca 0.09 -0.22 -0.13 0.00 -0.39 0.00 0.00 57.03 56.39 3iwk h ASP 312 Cb 0.22 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 3iwk h ASP 312 CO 0.00 1.01 -0.26 0.11 -1.61 0.00 0.00 179.24 178.49 3iwk h LYS 313 N 1.08 0.81 -0.36 0.28 1.57 -0.06 -2.56 116.57 117.33 3iwk h LYS 313 Ca 0.23 -0.35 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3iwk h LYS 313 Cb 0.35 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 3iwk h LYS 313 CO -0.00 0.98 0.06 -0.07 -0.57 0.00 0.00 179.45 179.85 3iwk h LEU 314 N 0.69 -0.01 -0.62 2.94 4.07 -0.57 -1.23 115.31 120.59 3iwk h LEU 314 Ca 0.09 0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.17 3iwk h LEU 314 Cb 0.80 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.57 3iwk h LEU 314 CO 0.07 0.03 0.31 0.58 -1.08 0.00 0.00 178.44 178.35 3iwk h VAL 315 N 0.18 0.92 -0.37 1.22 2.07 -0.94 0.08 116.25 119.41 3iwk h VAL 315 Ca 0.17 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 3iwk h VAL 315 Cb 0.20 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3iwk h VAL 315 CO -0.23 0.11 -0.33 0.11 0.02 0.00 0.00 177.57 177.25 3iwk h LYS 316 N 0.58 0.87 -0.21 1.57 1.57 -1.11 -0.43 116.57 119.41 3iwk h LYS 316 Ca 0.29 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3iwk h LYS 316 Cb 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3iwk h LYS 316 CO -0.20 1.09 0.07 -1.49 -0.57 0.00 0.00 179.45 178.35 3iwk h TRP 317 N 0.67 0.13 -0.85 -1.35 4.06 -0.97 -2.58 115.95 115.05 3iwk h TRP 317 Ca 0.06 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 3iwk h TRP 317 Cb 0.91 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.00 3iwk h TRP 317 CO 0.06 0.06 0.52 0.00 -3.56 0.00 0.00 178.44 175.53 3iwk h ALA 318 N 1.13 1.09 0.00 1.49 0.00 -0.76 -2.52 119.26 119.68 3iwk h ALA 318 Ca 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 318 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3iwk h ALA 318 CO -0.09 0.55 -0.36 0.93 0.00 0.00 0.00 179.25 180.28 3iwk h GLU 319 N 1.17 0.00 -0.00 0.00 5.08 -1.03 -2.94 114.58 116.86 3iwk h GLU 319 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3iwk h GLU 319 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3iwk h GLU 319 CO -0.06 0.36 -0.18 -1.71 -1.00 0.00 0.00 179.01 176.42 3iwk n ASN 320 N -3.66 0.22 -4.65 1.42 5.15 -0.97 -4.86 115.26 107.91 3iwk n ASN 320 Ca -0.01 0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 53.67 3iwk n ASN 320 Cb 0.46 -0.20 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 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 -2.93 3.33 0.07 -1.44 1.01 -1.08 -4.94 121.20 115.21 3iwk s ILE 321 Ca 0.15 0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.88 3iwk s ILE 321 Cb 0.19 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 3iwk s ILE 321 CO 0.58 -0.07 1.61 -0.75 0.00 0.00 0.00 174.94 176.31 3iwk s LYS 322 N 4.57 4.21 -0.17 2.79 2.20 -1.26 -4.88 119.74 127.20 3iwk s LYS 322 Ca 0.82 2.28 0.01 0.00 -0.36 0.00 0.00 55.97 58.72 3iwk s LYS 322 Cb -0.35 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 3iwk s LYS 322 CO 0.34 -0.70 -0.18 -1.50 -0.36 0.00 0.00 175.35 172.95 3iwk s ILE 323 N 2.48 2.30 0.15 5.43 1.10 -1.26 -1.42 121.20 129.98 3iwk s ILE 323 Ca 0.72 -0.88 -0.10 0.00 -0.51 0.00 0.00 60.65 59.89 3iwk s ILE 323 Cb -0.39 -1.96 0.04 0.00 0.15 0.00 0.00 42.46 40.29 3iwk s ILE 323 CO 0.31 0.53 0.49 -1.54 -2.11 0.00 0.00 174.94 172.62 3iwk n SER 324 N 4.34 -1.08 -4.66 4.50 3.41 -1.10 -5.01 113.62 114.02 3iwk n SER 324 Ca -0.20 -1.67 -0.46 0.00 -0.26 0.00 0.00 58.87 56.28 3iwk n SER 324 Cb 0.51 1.78 -0.04 0.00 -0.26 0.00 0.00 64.21 66.20 3iwk n SER 324 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iwk n ASP 325 N -1.12 2.91 0.28 4.04 2.03 -1.26 -4.45 116.55 118.97 3iwk n ASP 325 Ca -0.03 1.09 0.19 0.00 0.52 0.00 0.00 54.79 56.56 3iwk n ASP 325 Cb 0.31 -1.41 0.96 0.00 -0.72 0.00 0.00 41.12 40.27 3iwk n ASP 325 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iwk h PRO 326 N 5.56 0.00 0.00 -0.67 0.13 -1.87 -1.96 132.00 133.18 3iwk h PRO 326 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3iwk h PRO 326 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3iwk h PRO 326 CO 0.86 0.00 -0.47 1.28 -0.23 0.00 0.00 178.00 179.44 3iwk n LEU 327 N -2.83 0.63 -4.78 1.56 4.77 -1.26 -0.96 117.00 114.12 3iwk n LEU 327 Ca -0.02 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 3iwk n LEU 327 Cb 0.10 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3iwk n LEU 327 CO 0.18 -0.04 0.78 -0.70 -1.33 0.00 0.00 177.39 176.29 3iwk s GLU 328 N -3.12 3.67 0.35 3.23 2.12 -0.74 -4.95 118.70 119.26 3iwk s GLU 328 Ca 0.08 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 3iwk s GLU 328 Cb 0.14 -2.23 -0.11 0.00 0.26 0.00 0.00 34.13 32.20 3iwk s GLU 328 CO 0.68 -0.59 1.47 -2.00 -0.54 0.00 0.00 175.26 174.28 3iwk s GLU 329 N -2.97 4.17 0.00 4.30 2.12 -1.26 -3.01 118.70 122.04 3iwk s GLU 329 Ca 0.67 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.49 3iwk s GLU 329 Cb -0.24 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3iwk s GLU 329 CO 0.29 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 3iwk n GLY 330 N 0.93 0.94 3.71 -1.50 0.00 -1.26 -4.99 105.19 103.02 3iwk n GLY 330 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 4.82 6.03 -3.67 0.00 5.12 -0.67 -4.80 116.66 123.48 3iwk n ARG 332 Ca 0.17 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.96 3iwk n ARG 332 Cb 0.36 -0.54 -0.13 0.00 -1.16 0.00 0.00 32.46 30.99 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 -2.05 -0.21 0.00 0.55 2.96 -0.51 -4.90 118.68 114.53 3iwk s LEU 333 Ca 0.00 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 3iwk s LEU 333 Cb 0.00 0.75 0.04 0.00 0.50 0.00 0.00 46.19 47.48 3iwk s LEU 333 CO 0.00 -0.23 0.35 0.61 -1.32 0.00 0.00 176.35 175.76 3iwk n GLY 334 N 5.16 2.09 3.87 7.98 0.00 -1.26 -2.72 105.19 120.31 3iwk n GLY 334 Ca -0.09 -2.18 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.20 3.01 0.57 1.61 0.04 -1.24 -4.81 135.00 130.97 3iwk s PRO 335 Ca 0.26 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 3iwk s PRO 335 Cb -0.02 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 3iwk s PRO 335 CO 0.17 -0.95 1.20 0.42 0.04 0.00 0.00 177.00 177.87 3iwk s ILE 336 N -3.29 2.75 0.40 0.56 -1.09 0.11 -4.74 121.20 115.91 3iwk s ILE 336 Ca 0.57 0.48 0.10 0.00 -2.23 0.00 0.00 60.65 59.58 3iwk s ILE 336 Cb -0.11 -3.20 0.31 0.00 -1.58 0.00 0.00 42.46 37.87 3iwk s ILE 336 CO 0.53 -0.09 1.97 1.62 -1.23 0.00 0.00 174.94 177.74 3iwk h VAL 337 N 1.08 0.95 -3.32 2.92 3.04 -1.88 -3.42 116.25 115.62 3iwk h VAL 337 Ca -0.50 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.98 3iwk h VAL 337 Cb 1.29 0.32 -0.09 0.00 -2.01 0.00 0.00 31.29 30.80 3iwk h VAL 337 CO 0.56 0.11 0.04 -0.94 -1.01 0.00 0.00 177.57 176.33 3iwk s SER 338 N -6.21 -0.22 0.18 3.17 1.04 -1.26 -4.56 113.70 105.84 3iwk s SER 338 Ca -0.09 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.61 3iwk s SER 338 Cb 0.20 0.62 0.07 0.00 0.10 0.00 0.00 66.02 67.00 3iwk s SER 338 CO 0.76 -1.15 1.66 -0.08 0.98 0.00 0.00 173.24 175.41 3iwk h GLU 339 N 2.16 1.02 -0.50 4.02 4.81 -1.98 0.17 114.58 124.28 3iwk h GLU 339 Ca -0.26 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 3iwk h GLU 339 Cb 1.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3iwk h GLU 339 CO 0.33 0.97 0.01 0.00 -0.73 0.00 0.00 179.01 179.58 3iwk h ALA 340 N 1.01 1.07 -0.27 2.92 0.00 -2.00 -2.08 119.26 119.92 3iwk h ALA 340 Ca 0.18 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 3iwk h ALA 340 Cb 0.46 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3iwk h ALA 340 CO 0.02 0.58 -0.53 1.96 0.00 0.00 0.00 179.25 181.28 3iwk h GLN 341 N 0.77 0.79 -0.32 0.00 1.08 -1.92 -2.90 115.11 112.60 3iwk h GLN 341 Ca 0.15 -0.49 0.05 0.00 -1.45 0.00 0.00 58.65 56.92 3iwk h GLN 341 Cb 0.46 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 3iwk h GLN 341 CO 0.02 1.12 0.01 -0.92 -0.95 0.00 0.00 178.83 178.11 3iwk h TYR 342 N 0.61 0.01 -0.19 2.96 3.20 -0.65 -2.17 116.97 120.73 3iwk h TYR 342 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3iwk h TYR 342 Cb 1.12 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 3iwk h TYR 342 CO 0.06 -0.04 0.13 0.87 -1.64 0.00 0.00 178.16 177.54 3iwk h LYS 343 N 0.11 0.25 -0.54 1.82 1.57 -1.41 -2.24 116.57 116.14 3iwk h LYS 343 Ca 0.16 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 3iwk h LYS 343 Cb 0.20 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 3iwk h LYS 343 CO -0.25 0.17 -0.03 0.87 -0.57 0.00 0.00 179.45 179.64 3iwk h LYS 344 N 0.26 0.09 -0.43 3.15 1.57 -1.27 0.33 116.57 120.27 3iwk h LYS 344 Ca 0.07 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3iwk h LYS 344 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3iwk h LYS 344 CO -0.02 0.06 0.17 0.28 -0.57 0.00 0.00 179.45 179.37 3iwk h VAL 345 N 0.09 1.20 -0.76 0.50 2.07 -1.24 -0.10 116.25 118.01 3iwk h VAL 345 Ca 0.27 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3iwk h VAL 345 Cb 0.43 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3iwk h VAL 345 CO -0.48 0.23 0.25 -0.07 0.02 0.00 0.00 177.57 177.51 3iwk h LEU 346 N 0.54 1.10 -1.00 2.57 3.38 -0.75 -2.24 115.31 118.92 3iwk h LEU 346 Ca 0.14 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3iwk h LEU 346 Cb 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3iwk h LEU 346 CO -0.01 1.01 0.06 0.78 0.09 0.00 0.00 178.44 180.37 3iwk h ASN 347 N 1.13 0.74 -0.82 -0.43 2.35 -0.10 -0.23 115.58 118.21 3iwk h ASN 347 Ca 0.25 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3iwk h ASN 347 Cb 0.30 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 3iwk h ASN 347 CO -0.01 0.77 0.54 0.00 -1.65 0.00 0.00 177.43 177.08 3iwk h ILE 349 N 1.08 1.29 -0.06 0.00 2.04 -0.85 -1.71 117.51 119.31 3iwk h ILE 349 Ca 0.31 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 3iwk h ILE 349 Cb -0.09 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3iwk h ILE 349 CO -0.08 0.25 -0.42 0.77 0.00 0.00 0.00 178.15 178.68 3iwk h SER 350 N -0.21 0.13 -0.87 1.72 4.64 -1.00 -1.98 113.55 115.99 3iwk h SER 350 Ca 0.02 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3iwk h SER 350 Cb 0.41 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 3iwk h SER 350 CO 0.01 0.54 0.46 0.28 -0.87 0.00 0.00 176.83 177.25 3iwk h SER 351 N 0.11 1.09 -0.69 4.97 0.02 -1.06 0.48 113.55 118.48 3iwk h SER 351 Ca 0.01 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3iwk h SER 351 Cb 0.79 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3iwk h SER 351 CO 0.06 0.89 0.45 0.00 -1.14 0.00 0.00 176.83 177.09 3iwk h ALA 352 N 1.25 0.87 -0.45 3.77 0.00 -0.72 -1.09 119.26 122.90 3iwk h ALA 352 Ca 0.30 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3iwk h ALA 352 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3iwk h ALA 352 CO -0.05 0.29 0.09 -0.22 0.00 0.00 0.00 179.25 179.36 3iwk h LYS 353 N 0.92 0.73 -0.40 0.00 3.64 -1.06 -1.06 116.57 119.35 3iwk h LYS 353 Ca 0.25 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3iwk h LYS 353 Cb -0.10 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3iwk h LYS 353 CO -0.06 0.74 0.26 0.77 -2.27 0.00 0.00 179.45 178.90 3iwk h SER 354 N 0.60 0.42 -0.10 4.20 0.02 -0.63 -2.41 113.55 115.64 3iwk h SER 354 Ca 0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3iwk h SER 354 Cb 0.36 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3iwk h SER 354 CO 0.01 0.30 0.00 -0.62 -1.14 0.00 0.00 176.83 175.37 3iwk n GLU 355 N -4.48 1.51 -0.31 3.45 1.02 -0.44 -4.90 120.64 116.50 3iwk n GLU 355 Ca 0.03 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.41 3iwk n GLU 355 Cb 0.10 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.05 0.83 3.86 0.62 0.00 -0.91 -5.05 105.19 105.59 3iwk n GLY 356 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.05 2.91 -0.20 4.61 0.00 -0.42 -4.96 121.76 121.66 3iwk s ALA 357 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 3iwk s ALA 357 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3iwk s ALA 357 CO 0.00 -0.96 0.05 0.99 0.00 0.00 0.00 175.76 175.83 3iwk s THR 358 N -3.19 4.41 -0.73 0.00 2.01 0.90 -4.43 115.64 114.60 3iwk s THR 358 Ca 0.57 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.20 3iwk s THR 358 Cb -0.12 -3.01 0.09 0.00 0.01 0.00 0.00 72.50 69.47 3iwk s THR 358 CO 0.54 0.42 1.00 -0.63 -0.69 0.00 0.00 174.62 175.25 3iwk s ILE 359 N 0.89 4.47 0.21 1.82 -1.09 -1.26 -0.30 121.20 125.94 3iwk s ILE 359 Ca 0.03 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 57.68 3iwk s ILE 359 Cb -0.14 -4.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.01 3iwk s ILE 359 CO 0.02 -1.46 1.55 -0.07 -1.23 0.00 0.00 174.94 173.76 3iwk h LEU 360 N 11.02 0.57 -7.18 2.97 3.38 -1.60 -3.46 115.31 121.00 3iwk h LEU 360 Ca -0.16 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3iwk h LEU 360 Cb 1.06 -0.16 -0.20 0.00 0.09 0.00 0.00 40.66 41.45 3iwk h LEU 360 CO 1.16 0.96 0.01 0.28 0.09 0.00 0.00 178.44 180.95 3iwk s THR 361 N -4.08 0.02 0.00 0.22 -1.32 -1.23 -4.99 115.64 104.26 3iwk s THR 361 Ca -0.07 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 3iwk s THR 361 Cb 0.12 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 3iwk s THR 361 CO 0.83 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 3iwk n GLY 362 N 1.23 0.71 2.32 6.08 0.00 -1.24 -2.12 105.19 112.17 3iwk n GLY 362 Ca -0.19 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 0.26 3.55 -0.02 0.00 -1.26 -4.97 105.19 102.75 3iwk n GLY 363 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 3iwk n GLY 363 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iwk s ARG 364 N -5.29 0.78 0.17 1.61 3.52 -1.26 -5.01 118.95 113.48 3iwk s ARG 364 Ca 0.19 0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.66 3iwk s ARG 364 Cb -0.08 0.37 -0.09 0.00 -1.56 0.00 0.00 34.95 33.59 3iwk s ARG 364 CO 0.23 -0.25 1.37 0.50 -0.81 0.00 0.00 175.30 176.35 3iwk s ARG 365 N -1.19 4.34 0.36 5.12 3.52 -1.26 -0.94 118.95 128.89 3iwk s ARG 365 Ca -0.05 2.11 -0.28 0.00 -0.13 0.00 0.00 55.73 57.38 3iwk s ARG 365 Cb -0.00 -3.20 -0.11 0.00 -1.56 0.00 0.00 34.95 30.08 3iwk s ARG 365 CO 0.05 -0.36 1.47 -2.14 -0.81 0.00 0.00 175.30 173.51 3iwk s PRO 366 N 0.34 4.15 0.20 5.12 0.02 -1.26 -4.90 135.00 138.67 3iwk s PRO 366 Ca 0.60 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 64.04 3iwk s PRO 366 Cb -0.38 -2.99 0.26 0.00 0.02 0.00 0.00 34.50 31.41 3iwk s PRO 366 CO 0.36 -0.49 1.72 1.49 -0.33 0.00 0.00 177.00 179.75 3iwk h GLU 367 N 3.30 0.31 -0.00 5.54 4.57 -2.00 -2.65 114.58 123.65 3iwk h GLU 367 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3iwk h GLU 367 Cb 1.23 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3iwk h GLU 367 CO 0.66 0.20 0.00 -2.39 -1.18 0.00 0.00 179.01 176.31 3iwk n HIS 368 N -5.07 0.00 -3.99 0.92 1.44 -1.26 -4.62 115.22 102.65 3iwk n HIS 368 Ca 0.08 -0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.48 3iwk n HIS 368 Cb 0.28 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.86 3.30 -0.08 2.39 1.02 -1.00 -5.00 118.68 117.45 3iwk s LEU 369 Ca 0.41 -1.47 -0.09 0.00 0.02 0.00 0.00 54.13 53.00 3iwk s LEU 369 Cb 0.19 -1.39 -0.29 0.00 0.02 0.00 0.00 46.19 44.72 3iwk s LEU 369 CO 0.32 -0.25 0.55 0.11 0.02 0.00 0.00 176.35 177.09 3iwk h LYS 370 N 7.83 0.35 -6.21 1.70 1.79 -1.82 -3.42 116.57 116.79 3iwk h LYS 370 Ca -0.15 -0.59 -0.58 0.00 -2.18 0.00 0.00 60.65 57.15 3iwk h LYS 370 Cb 1.05 0.22 -0.11 0.00 -1.58 0.00 0.00 32.23 31.81 3iwk h LYS 370 CO 0.45 1.28 -0.68 0.15 -1.08 0.00 0.00 179.45 179.57 3iwk s LYS 371 N -2.57 2.09 0.00 3.15 1.02 -1.26 -5.08 119.74 117.10 3iwk s LYS 371 Ca -0.19 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.28 3iwk s LYS 371 Cb 0.06 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3iwk s LYS 371 CO 0.82 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 176.02 3iwk n GLY 372 N -0.78 1.76 2.23 -3.33 0.00 -1.24 -4.75 105.19 99.07 3iwk n GLY 372 Ca -0.06 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 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 1.70 1.56 -3.30 1.61 0.53 -0.27 -4.91 117.16 114.07 3iwk n TYR 373 Ca 0.00 -2.46 -0.38 0.00 -1.02 0.00 0.00 57.90 54.04 3iwk n TYR 373 Cb 0.00 -2.06 -0.06 0.00 -1.03 0.00 0.00 39.34 36.19 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 1.24 3.53 -0.02 -0.72 0.40 -1.26 0.10 117.98 121.24 3iwk s PHE 374 Ca 0.67 0.92 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 3iwk s PHE 374 Cb 0.24 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 3iwk s PHE 374 CO -0.05 0.19 -0.21 0.08 0.70 0.00 0.00 175.22 175.92 3iwk s VAL 375 N 0.55 1.69 0.64 -0.44 1.01 -1.26 -4.29 120.40 118.30 3iwk s VAL 375 Ca 0.27 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3iwk s VAL 375 Cb -0.15 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3iwk s VAL 375 CO 0.11 0.48 1.17 -1.61 0.00 0.00 0.00 175.10 175.24 3iwk s GLU 376 N -0.41 2.74 0.32 2.72 2.02 -0.12 -4.92 118.70 121.05 3iwk s GLU 376 Ca 0.06 1.64 -0.29 0.00 0.02 0.00 0.00 54.97 56.40 3iwk s GLU 376 Cb -0.09 -1.92 -0.11 0.00 0.10 0.00 0.00 34.13 32.11 3iwk s GLU 376 CO -0.00 -1.34 1.57 -2.14 0.02 0.00 0.00 175.26 173.36 3iwk s PRO 377 N -3.72 4.12 -0.12 0.39 0.02 -1.26 -4.04 135.00 130.39 3iwk s PRO 377 Ca 0.73 2.58 0.03 0.00 0.02 0.00 0.00 61.00 64.36 3iwk s PRO 377 Cb -0.26 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3iwk s PRO 377 CO 0.38 -0.61 -0.23 0.99 -0.33 0.00 0.00 177.00 177.21 3iwk s THR 378 N -0.32 2.11 -0.18 0.99 2.01 0.55 -3.60 115.64 117.19 3iwk s THR 378 Ca 0.60 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 3iwk s THR 378 Cb -0.47 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 3iwk s THR 378 CO 0.52 0.55 -0.09 -0.63 -0.69 0.00 0.00 174.62 174.28 3iwk s ILE 379 N 0.54 3.11 -0.17 1.82 1.01 -0.90 -0.30 121.20 126.31 3iwk s ILE 379 Ca -0.14 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 3iwk s ILE 379 Cb -0.17 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3iwk s ILE 379 CO 0.04 0.47 -0.14 -0.63 0.00 0.00 0.00 174.94 174.68 3iwk s ILE 380 N 1.07 2.67 0.47 2.92 1.01 0.16 -1.36 121.20 128.14 3iwk s ILE 380 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3iwk s ILE 380 Cb -0.15 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 3iwk s ILE 380 CO -0.02 0.50 0.01 1.07 0.00 0.00 0.00 174.94 176.51 3iwk n THR 381 N 4.35 0.00 -3.61 2.92 5.66 0.59 -0.48 114.28 123.72 3iwk n THR 381 Ca -0.19 -2.25 -0.20 0.00 -3.05 0.00 0.00 64.05 58.36 3iwk n THR 381 Cb 0.51 0.49 0.05 0.00 -1.55 0.00 0.00 70.33 69.83 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 -1.32 -1.52 -4.90 1.09 10.43 -1.26 -0.07 116.55 119.00 3iwk n ASP 382 Ca -0.18 -0.76 -0.34 0.00 2.57 0.00 0.00 54.79 56.08 3iwk n ASP 382 Cb 0.60 -4.41 -0.05 0.00 1.84 0.00 0.00 41.12 39.10 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 -3.57 5.45 0.14 2.53 1.01 -1.26 -4.27 120.40 120.44 3iwk s VAL 383 Ca 0.01 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.01 3iwk s VAL 383 Cb -0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3iwk s VAL 383 CO 0.78 0.38 -0.20 -0.89 0.00 0.00 0.00 175.10 175.17 3iwk s THR 384 N -1.27 2.64 0.58 3.92 2.01 -1.26 -4.91 115.64 117.35 3iwk s THR 384 Ca 0.25 -1.70 0.28 0.00 0.31 0.00 0.00 61.69 60.83 3iwk s THR 384 Cb -0.13 -2.23 0.38 0.00 0.01 0.00 0.00 72.50 70.54 3iwk s THR 384 CO 0.16 0.02 1.98 0.00 -0.69 0.00 0.00 174.62 176.10 3iwk h THR 385 N 3.45 0.47 -0.00 -0.82 1.03 -1.99 -1.65 112.91 113.40 3iwk h THR 385 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 3iwk h THR 385 Cb 1.18 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.98 3iwk h THR 385 CO 0.46 0.00 -0.11 -1.54 -0.01 0.00 0.00 175.52 174.31 3iwk n SER 386 N -3.87 0.21 -4.81 0.00 3.41 -1.26 -4.73 113.62 102.57 3iwk n SER 386 Ca 0.06 -0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 3iwk n SER 386 Cb 0.54 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.78 3.31 0.13 4.33 1.00 -0.62 -5.00 119.30 119.68 3iwk s MET 387 Ca 0.20 1.11 -0.17 0.00 0.00 0.00 0.00 55.69 56.83 3iwk s MET 387 Cb 0.19 -2.04 -0.01 0.00 0.00 0.00 0.00 34.83 32.98 3iwk s MET 387 CO 0.53 -0.81 1.72 0.37 0.00 0.00 0.00 175.02 176.84 3iwk h GLN 388 N 0.21 0.52 0.00 2.03 4.15 -1.91 -3.05 115.11 117.07 3iwk h GLN 388 Ca -0.46 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3iwk h GLN 388 Cb 1.21 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3iwk h GLN 388 CO 0.58 0.45 0.00 0.44 -1.93 0.00 0.00 178.83 178.37 3iwk n ILE 389 N -4.74 0.84 0.09 2.39 -6.64 -1.26 -0.89 119.36 109.16 3iwk n ILE 389 Ca -0.00 0.28 -0.20 0.00 -1.77 0.00 0.00 62.75 61.06 3iwk n ILE 389 Cb 0.10 -1.23 -0.11 0.00 -1.44 0.00 0.00 39.64 36.95 3iwk n ILE 389 CO 0.00 0.00 0.00 -0.25 -1.77 0.00 0.00 176.55 174.53 3iwk h TRP 390 N 0.00 0.85 0.06 4.28 2.91 -1.81 -3.41 115.95 118.83 3iwk h TRP 390 Ca 0.00 -0.54 -0.37 0.00 1.13 0.00 0.00 58.89 59.11 3iwk h TRP 390 Cb 0.33 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.87 3iwk h TRP 390 CO 0.00 1.38 -2.21 2.89 -1.03 0.00 0.00 178.44 179.47 3iwk n ARG 391 N -3.74 0.70 -3.56 2.65 1.85 -0.84 -4.98 116.66 108.75 3iwk n ARG 391 Ca -0.12 0.20 -0.38 0.00 -1.00 0.00 0.00 57.85 56.56 3iwk n ARG 391 Cb 0.97 -1.62 -0.06 0.00 -1.05 0.00 0.00 32.46 30.70 3iwk n ARG 391 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3iwk s GLU 392 N -2.54 3.88 0.09 2.89 2.02 -0.06 -4.94 118.70 120.04 3iwk s GLU 392 Ca -0.26 0.29 -0.31 0.00 0.02 0.00 0.00 54.97 54.71 3iwk s GLU 392 Cb 0.08 -3.24 -0.08 0.00 0.10 0.00 0.00 34.13 30.98 3iwk s GLU 392 CO 0.70 0.64 1.58 -2.00 0.02 0.00 0.00 175.26 176.21 3iwk s GLU 393 N -0.85 4.22 -0.17 1.61 2.12 -1.26 -4.76 118.70 119.60 3iwk s GLU 393 Ca 0.22 2.28 -0.21 0.00 0.36 0.00 0.00 54.97 57.62 3iwk s GLU 393 Cb -0.15 -3.44 -0.22 0.00 0.26 0.00 0.00 34.13 30.58 3iwk s GLU 393 CO 0.11 -0.66 0.37 0.28 -0.54 0.00 0.00 175.26 174.82 3iwk h VAL 394 N 4.54 1.06 -4.66 3.70 2.07 -1.94 -3.49 116.25 117.53 3iwk h VAL 394 Ca -0.42 -2.25 -0.25 0.00 0.82 0.00 0.00 66.70 64.59 3iwk h VAL 394 Cb 1.20 2.51 0.12 0.00 -1.52 0.00 0.00 31.29 33.60 3iwk h VAL 394 CO 0.92 0.46 -0.55 0.33 0.02 0.00 0.00 177.57 178.75 3iwk n PHE 395 N -4.31 -1.73 -3.71 1.57 7.35 -1.26 -4.67 117.46 110.70 3iwk n PHE 395 Ca -0.27 0.71 -0.09 0.00 -0.76 0.00 0.00 57.45 57.03 3iwk n PHE 395 Cb 0.71 -4.21 -0.03 0.00 0.35 0.00 0.00 39.48 36.30 3iwk n PHE 395 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3iwk s GLY 396 N -3.83 -0.22 -1.06 7.13 0.00 -1.21 -4.51 107.32 103.61 3iwk s GLY 396 Ca 0.10 -0.08 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 3iwk s GLY 396 CO 0.54 -0.09 1.97 -1.55 0.00 0.00 0.00 173.10 173.98 3iwk n PRO 397 N -0.40 2.01 -3.76 2.90 -0.04 -1.13 -4.52 135.00 130.06 3iwk n PRO 397 Ca -0.09 -2.30 -0.25 0.00 -0.04 0.00 0.00 63.50 60.82 3iwk n PRO 397 Cb 0.62 -3.23 -0.17 0.00 -0.04 0.00 0.00 33.50 30.68 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 5.72 0.46 -0.17 0.52 1.01 -1.26 -0.33 120.40 126.35 3iwk s VAL 398 Ca 0.57 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 3iwk s VAL 398 Cb 0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3iwk s VAL 398 CO 0.07 0.05 -0.01 -0.22 0.00 0.00 0.00 175.10 174.99 3iwk s LEU 399 N 1.91 3.37 -0.16 3.92 2.96 0.59 -4.85 118.68 126.42 3iwk s LEU 399 Ca 0.02 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3iwk s LEU 399 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3iwk s LEU 399 CO -0.07 0.16 0.10 0.00 -1.32 0.00 0.00 176.35 175.22 3iwk s ALA 400 N 0.43 3.62 -0.11 5.97 0.00 -0.36 0.37 121.76 131.68 3iwk s ALA 400 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3iwk s ALA 400 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 3iwk s ALA 400 CO 0.02 0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.09 3iwk s VAL 401 N -0.17 3.21 0.12 0.00 1.01 0.37 -0.27 120.40 124.66 3iwk s VAL 401 Ca 0.09 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3iwk s VAL 401 Cb -0.12 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3iwk s VAL 401 CO 0.01 0.54 -0.10 -0.54 0.00 0.00 0.00 175.10 175.00 3iwk s LYS 402 N 0.03 0.97 0.07 2.72 -0.14 0.67 -4.03 119.74 120.03 3iwk s LYS 402 Ca -0.04 -1.31 0.04 0.00 -1.36 0.00 0.00 55.97 53.30 3iwk s LYS 402 Cb -0.14 -0.61 -0.04 0.00 -1.68 0.00 0.00 37.83 35.36 3iwk s LYS 402 CO 0.04 0.09 0.02 0.99 -0.76 0.00 0.00 175.35 175.73 3iwk s THR 403 N -2.86 4.21 0.04 2.17 2.01 -1.26 -1.34 115.64 118.61 3iwk s THR 403 Ca 0.11 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3iwk s THR 403 Cb -0.00 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3iwk s THR 403 CO 0.00 0.18 -0.03 0.72 -0.69 0.00 0.00 174.62 174.80 3iwk s PHE 404 N -1.29 0.44 -0.16 4.92 -0.12 -0.49 -4.89 117.98 116.38 3iwk s PHE 404 Ca 0.25 -0.87 -0.08 0.00 -0.05 0.00 0.00 56.93 56.19 3iwk s PHE 404 Cb -0.12 -0.32 -0.07 0.00 -0.63 0.00 0.00 43.02 41.88 3iwk s PHE 404 CO 0.18 -0.30 -0.21 -1.13 -0.05 0.00 0.00 175.22 173.71 3iwk n SER 405 N 0.65 1.27 -4.85 1.98 3.41 -1.26 -1.23 113.62 113.59 3iwk n SER 405 Ca -0.18 0.18 -0.24 0.00 -0.26 0.00 0.00 58.87 58.38 3iwk n SER 405 Cb 0.59 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.30 4.66 0.19 6.66 -4.23 -1.26 -4.93 115.64 114.42 3iwk s THR 406 Ca -0.23 -1.17 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 3iwk s THR 406 Cb 0.09 -3.46 0.09 0.00 1.34 0.00 0.00 72.50 70.56 3iwk s THR 406 CO 0.29 -0.24 1.83 -0.08 -0.54 0.00 0.00 174.62 175.89 3iwk h GLU 407 N 1.82 0.70 -0.96 3.99 4.81 -1.99 -0.69 114.58 122.26 3iwk h GLU 407 Ca -0.49 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3iwk h GLU 407 Cb 1.22 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.35 3iwk h GLU 407 CO 0.62 0.47 0.58 1.49 -0.73 0.00 0.00 179.01 181.44 3iwk h GLU 408 N 0.72 0.85 -0.21 1.92 4.81 -1.99 -0.72 114.58 119.96 3iwk h GLU 408 Ca 0.23 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3iwk h GLU 408 Cb -0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 3iwk h GLU 408 CO -0.09 0.56 -0.28 1.49 -0.73 0.00 0.00 179.01 179.96 3iwk h GLU 409 N 0.88 0.56 -0.62 1.92 4.81 -1.80 -2.14 114.58 118.19 3iwk h GLU 409 Ca 0.50 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3iwk h GLU 409 Cb 0.58 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3iwk h GLU 409 CO -0.30 0.92 0.37 0.00 -0.73 0.00 0.00 179.01 179.28 3iwk h ALA 410 N 0.63 0.81 -0.17 2.92 0.00 -0.67 -1.34 119.26 121.43 3iwk h ALA 410 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iwk h ALA 410 Cb 0.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3iwk h ALA 410 CO 0.07 0.10 0.07 0.82 0.00 0.00 0.00 179.25 180.31 3iwk h ILE 411 N 0.72 1.14 -0.69 0.00 2.04 -1.12 -1.36 117.51 118.24 3iwk h ILE 411 Ca 0.25 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3iwk h ILE 411 Cb 0.05 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3iwk h ILE 411 CO -0.12 0.13 0.31 0.78 0.00 0.00 0.00 178.15 179.25 3iwk h ASN 412 N 0.13 0.91 -0.53 1.72 2.35 -1.20 -0.80 115.58 118.16 3iwk h ASN 412 Ca 0.06 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 3iwk h ASN 412 Cb 0.15 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3iwk h ASN 412 CO -0.01 0.79 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.40 3iwk h LEU 413 N 0.99 1.01 -0.93 1.61 3.38 -1.18 -1.86 115.31 118.32 3iwk h LEU 413 Ca 0.24 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3iwk h LEU 413 Cb 0.14 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3iwk h LEU 413 CO -0.03 1.12 0.16 0.00 0.09 0.00 0.00 178.44 179.79 3iwk h ALA 414 N 0.92 1.14 -0.24 1.53 0.00 -0.71 -2.35 119.26 119.56 3iwk h ALA 414 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 414 Cb 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3iwk h ALA 414 CO 0.05 0.59 0.00 0.09 0.00 0.00 0.00 179.25 179.97 3iwk n ASN 415 N -4.26 1.76 -3.41 0.00 3.02 -0.36 -4.64 115.26 107.36 3iwk n ASN 415 Ca 0.05 -1.81 -0.40 0.00 -0.03 0.00 0.00 54.58 52.39 3iwk n ASN 415 Cb 0.23 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.41 7.89 -3.52 6.41 2.03 -0.71 -4.80 116.55 124.25 3iwk n ASP 416 Ca 0.15 -2.73 -0.17 0.00 0.52 0.00 0.00 54.79 52.56 3iwk n ASP 416 Cb 0.32 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 39.13 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 1.66 0.01 -0.83 5.18 -1.32 -1.26 -4.97 115.64 114.10 3iwk s THR 417 Ca 0.63 -0.04 0.26 0.00 -1.21 0.00 0.00 61.69 61.33 3iwk s THR 417 Cb 0.17 -0.98 0.15 0.00 -1.51 0.00 0.00 72.50 70.34 3iwk s THR 417 CO -0.07 -0.02 1.61 1.41 -2.21 0.00 0.00 174.62 175.34 3iwk n HIS 418 N 0.74 0.41 -1.77 9.09 8.25 -1.26 -4.89 115.22 125.79 3iwk n HIS 418 Ca -0.19 0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.10 3iwk n HIS 418 Cb 0.58 -0.61 0.15 0.00 1.12 0.00 0.00 29.99 31.23 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 -3.07 2.14 -0.31 4.41 1.51 -1.26 -0.88 117.35 119.88 3iwk s TYR 419 Ca 0.10 0.58 0.06 0.00 -1.01 0.00 0.00 57.07 56.81 3iwk s TYR 419 Cb 0.15 -3.71 0.23 0.00 -0.11 0.00 0.00 41.96 38.52 3iwk s TYR 419 CO 0.64 -2.41 1.18 0.41 -1.11 0.00 0.00 175.55 174.26 3iwk n GLY 420 N -3.06 0.47 0.00 0.71 0.00 -1.20 -4.65 105.19 97.45 3iwk n GLY 420 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.66 0.51 -4.83 0.99 7.94 -1.26 -1.28 117.00 118.40 3iwk n LEU 421 Ca -0.14 0.26 -0.31 0.00 -1.11 0.00 0.00 56.01 54.71 3iwk n LEU 421 Cb 0.74 -0.38 -0.04 0.00 0.53 0.00 0.00 43.42 44.27 3iwk n LEU 421 CO -0.10 -0.38 -0.13 -0.83 -1.11 0.00 0.00 177.39 174.85 3iwk s GLY 422 N -1.98 2.83 -0.29 -3.96 0.00 -1.26 -1.67 107.32 100.99 3iwk s GLY 422 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 44.72 43.96 3iwk s GLY 422 CO 0.00 -2.12 1.41 -1.35 0.00 0.00 0.00 173.10 171.05 3iwk s SER 423 N -4.06 -0.03 0.04 1.64 1.04 -0.89 -4.10 113.70 107.34 3iwk s SER 423 Ca 0.13 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.64 3iwk s SER 423 Cb -0.01 0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 3iwk s SER 423 CO 0.08 -0.02 -0.11 0.00 0.98 0.00 0.00 173.24 174.18 3iwk s ALA 424 N -0.53 0.87 -0.13 5.32 0.00 0.47 -0.68 121.76 127.08 3iwk s ALA 424 Ca 0.08 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3iwk s ALA 424 Cb -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3iwk s ALA 424 CO -0.12 0.12 -0.16 0.08 0.00 0.00 0.00 175.76 175.68 3iwk s VAL 425 N -0.93 1.64 -0.35 0.00 1.01 -0.57 -0.12 120.40 121.08 3iwk s VAL 425 Ca -0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3iwk s VAL 425 Cb -0.08 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.86 3iwk s VAL 425 CO 0.01 0.47 0.11 -0.04 0.00 0.00 0.00 175.10 175.64 3iwk s MET 426 N 1.08 2.49 -0.22 2.72 -1.94 0.68 -0.35 119.30 123.75 3iwk s MET 426 Ca -0.04 -1.31 -0.26 0.00 -1.71 0.00 0.00 55.69 52.37 3iwk s MET 426 Cb -0.14 -3.44 0.07 0.00 2.01 0.00 0.00 34.83 33.33 3iwk s MET 426 CO -0.04 -0.74 0.73 0.45 -0.01 0.00 0.00 175.02 175.41 3iwk s SER 427 N 1.50 -0.72 0.33 3.03 0.15 -1.26 -1.16 113.70 115.58 3iwk s SER 427 Ca -0.01 1.27 0.18 0.00 0.70 0.00 0.00 55.95 58.09 3iwk s SER 427 Cb -0.20 1.25 0.28 0.00 -1.71 0.00 0.00 66.02 65.63 3iwk s SER 427 CO 0.01 -0.32 1.55 0.78 1.20 0.00 0.00 173.24 176.46 3iwk h ASN 428 N 4.54 0.00 -2.60 5.45 2.35 -1.76 -3.42 115.58 120.14 3iwk h ASN 428 Ca -0.28 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.93 3iwk h ASN 428 Cb 1.16 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.47 3iwk h ASN 428 CO 0.12 0.38 1.15 -0.62 -1.65 0.00 0.00 177.43 176.81 3iwk s ASP 429 N -6.38 5.97 0.33 5.81 -1.08 -1.26 -4.87 116.67 115.19 3iwk s ASP 429 Ca 0.04 0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.55 3iwk s ASP 429 Cb 0.08 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.85 3iwk s ASP 429 CO 0.71 -1.84 1.76 -0.07 0.52 0.00 0.00 175.17 176.25 3iwk h LEU 430 N 13.68 0.00 -0.36 -1.34 4.07 -2.00 -2.26 115.31 127.11 3iwk h LEU 430 Ca -0.27 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.50 3iwk h LEU 430 Cb 1.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 3iwk h LEU 430 CO 1.19 0.00 -0.82 -0.33 -1.08 0.00 0.00 178.44 177.40 3iwk h GLU 431 N 0.00 0.18 -0.34 1.13 5.08 -1.97 -2.68 114.58 115.98 3iwk h GLU 431 Ca 0.00 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 3iwk h GLU 431 Cb 0.65 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3iwk h GLU 431 CO 0.00 0.90 -0.43 -0.09 -1.00 0.00 0.00 179.01 178.40 3iwk h ARG 432 N 0.11 0.86 -0.70 2.33 2.43 -1.84 -2.65 114.38 114.92 3iwk h ARG 432 Ca -0.03 -0.47 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3iwk h ARG 432 Cb 1.42 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 3iwk h ARG 432 CO 0.12 1.11 0.38 0.00 -1.51 0.00 0.00 179.97 180.08 3iwk h GLU 434 N 0.96 0.45 -0.05 0.00 4.81 -1.44 -0.82 114.58 118.48 3iwk h GLU 434 Ca 0.25 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3iwk h GLU 434 Cb 0.05 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.27 3iwk h GLU 434 CO -0.04 0.33 -0.43 0.00 -0.73 0.00 0.00 179.01 178.15 3iwk h ARG 435 N 0.43 -0.53 -0.13 1.92 3.08 -1.22 -1.92 114.38 116.01 3iwk h ARG 435 Ca 0.12 0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 3iwk h ARG 435 Cb -0.00 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3iwk h ARG 435 CO -0.02 -0.35 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.28 3iwk h LEU 436 N -0.55 0.21 -1.22 3.04 4.07 -1.33 -1.97 115.31 117.56 3iwk h LEU 436 Ca 0.06 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 3iwk h LEU 436 Cb 0.65 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 3iwk h LEU 436 CO -0.35 0.40 -0.07 0.77 -1.08 0.00 0.00 178.44 178.11 3iwk h SER 437 N 0.20 0.43 0.63 -0.43 4.64 -0.68 0.94 113.55 119.27 3iwk h SER 437 Ca 0.04 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3iwk h SER 437 Cb 0.44 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3iwk h SER 437 CO 0.03 0.55 -0.59 0.11 -0.87 0.00 0.00 176.83 176.05 3iwk h LYS 438 N 0.42 0.00 0.00 4.77 1.57 -0.65 -3.35 116.57 119.33 3iwk h LYS 438 Ca 0.09 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.65 3iwk h LYS 438 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3iwk h LYS 438 CO 0.02 0.59 -1.73 0.00 -0.57 0.00 0.00 179.45 177.76 3iwk n ALA 439 N -2.41 1.86 -2.26 3.86 0.00 -0.71 -4.88 120.51 115.98 3iwk n ALA 439 Ca -0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 3iwk n ALA 439 Cb 0.60 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 3iwk n ALA 439 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iwk s LEU 440 N -5.63 4.29 -1.17 0.00 1.43 0.24 -4.94 118.68 112.90 3iwk s LEU 440 Ca -0.05 2.03 -0.17 0.00 -1.03 0.00 0.00 54.13 54.91 3iwk s LEU 440 Cb 0.09 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.87 3iwk s LEU 440 CO 0.83 -0.73 1.47 -1.10 0.23 0.00 0.00 176.35 177.05 3iwk s GLN 441 N 2.74 3.92 0.08 1.70 -0.21 -1.26 -4.90 119.66 121.73 3iwk s GLN 441 Ca 0.63 -2.11 -0.16 0.00 0.02 0.00 0.00 55.36 53.74 3iwk s GLN 441 Cb -0.29 -5.21 0.03 0.00 1.00 0.00 0.00 33.01 28.54 3iwk s GLN 441 CO 0.24 -1.96 0.37 0.00 -2.12 0.00 0.00 175.29 171.82 3iwk s ALA 442 N 2.91 -0.85 -0.33 6.09 0.00 -1.26 -4.49 121.76 123.83 3iwk s ALA 442 Ca 0.45 0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.63 3iwk s ALA 442 Cb -0.01 0.50 0.21 0.00 0.00 0.00 0.00 23.12 23.83 3iwk s ALA 442 CO -0.00 -0.53 1.49 0.78 0.00 0.00 0.00 175.76 177.50 3iwk h GLY 443 N 2.74 0.00 -6.21 0.00 0.00 -0.92 -3.45 103.07 95.24 3iwk h GLY 443 Ca -0.33 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.54 3iwk h GLY 443 CO 0.47 0.00 -0.79 -0.42 0.00 0.00 0.00 176.54 175.80 3iwk s ILE 444 N -3.13 0.79 -0.18 2.60 1.01 -0.67 -4.71 121.20 116.91 3iwk s ILE 444 Ca 0.05 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3iwk s ILE 444 Cb 0.06 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.77 3iwk s ILE 444 CO 0.71 0.29 -0.19 -0.69 0.00 0.00 0.00 174.94 175.05 3iwk s VAL 445 N 1.00 2.00 -0.16 2.92 1.01 -1.26 -2.09 120.40 123.83 3iwk s VAL 445 Ca -0.09 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 3iwk s VAL 445 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3iwk s VAL 445 CO -0.00 0.53 0.14 0.26 0.00 0.00 0.00 175.10 176.03 3iwk s TRP 446 N 1.31 3.50 -0.19 5.22 0.51 0.14 -5.01 118.94 124.42 3iwk s TRP 446 Ca 0.05 0.44 -0.03 0.00 -2.12 0.00 0.00 56.10 54.44 3iwk s TRP 446 Cb -0.13 -2.06 -0.01 0.00 -0.81 0.00 0.00 33.47 30.46 3iwk s TRP 446 CO -0.13 0.50 -0.08 0.42 -0.51 0.00 0.00 176.95 177.16 3iwk s ILE 447 N -0.30 3.24 -1.88 2.03 1.01 -1.26 -1.51 121.20 122.53 3iwk s ILE 447 Ca 0.12 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3iwk s ILE 447 Cb -0.12 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.92 3iwk s ILE 447 CO 0.01 0.46 0.00 0.59 0.00 0.00 0.00 174.94 176.00 3iwk n ASN 448 N 4.35 -5.33 -2.48 3.58 3.02 0.52 -4.92 115.26 114.01 3iwk n ASN 448 Ca -0.18 0.27 -0.07 0.00 -0.03 0.00 0.00 54.58 54.57 3iwk n ASN 448 Cb 0.51 -4.60 0.02 0.00 -0.61 0.00 0.00 39.78 35.10 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 -1.88 -1.57 0.00 0.00 0.00 -1.26 -4.65 121.76 112.39 3iwk s ALA 450 Ca 0.13 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.14 3iwk s ALA 450 Cb -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3iwk s ALA 450 CO 0.09 -0.33 0.00 1.04 0.00 0.00 0.00 175.76 176.56 3iwk n GLN 451 N 4.07 0.00 -2.10 0.00 1.13 -1.26 -4.52 117.38 114.70 3iwk n GLN 451 Ca -0.20 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.44 3iwk n GLN 451 Cb 0.57 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.90 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3iwk s PRO 452 N -0.59 4.22 -0.78 -1.09 0.02 -1.26 -4.97 135.00 130.55 3iwk s PRO 452 Ca 0.00 2.09 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 3iwk s PRO 452 Cb 0.00 -3.75 0.20 0.00 0.02 0.00 0.00 34.50 30.97 3iwk s PRO 452 CO 0.00 -0.72 0.65 -1.54 -0.33 0.00 0.00 177.00 175.06 3iwk s SER 453 N 2.55 5.83 0.30 2.53 1.04 -1.26 -5.08 113.70 119.62 3iwk s SER 453 Ca 0.69 -3.23 -0.29 0.00 0.48 0.00 0.00 55.95 53.60 3iwk s SER 453 Cb -0.33 -1.94 -0.10 0.00 0.10 0.00 0.00 66.02 63.75 3iwk s SER 453 CO 0.28 -0.31 1.28 -0.36 0.98 0.00 0.00 173.24 175.10 3iwk s PHE 454 N -0.63 3.16 -0.89 5.02 0.40 -1.26 -4.93 117.98 118.86 3iwk s PHE 454 Ca 0.22 1.42 0.19 0.00 -0.60 0.00 0.00 56.93 58.16 3iwk s PHE 454 Cb -0.13 -3.61 0.80 0.00 0.51 0.00 0.00 43.02 40.59 3iwk s PHE 454 CO -0.08 -1.67 1.60 -0.89 0.70 0.00 0.00 175.22 174.88 3iwk n ILE 455 N 1.16 0.79 0.83 0.64 5.41 -1.26 -2.16 119.36 124.77 3iwk n ILE 455 Ca 0.01 0.18 0.12 0.00 1.00 0.00 0.00 62.75 64.06 3iwk n ILE 455 Cb 0.42 -0.93 0.27 0.00 -0.71 0.00 0.00 39.64 38.69 3iwk n ILE 455 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iwk n GLN 456 N -1.68 0.11 -4.62 0.38 3.00 -1.26 -0.89 117.38 112.42 3iwk n GLN 456 Ca 0.04 0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 3iwk n GLN 456 Cb 0.22 -1.58 -0.13 0.00 0.00 0.00 0.00 30.24 28.76 3iwk n GLN 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3iwk s ALA 457 N -3.06 2.85 0.31 -1.58 0.00 -0.92 -4.40 121.76 114.96 3iwk s ALA 457 Ca 0.10 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 3iwk s ALA 457 Cb 0.16 -1.31 -0.11 0.00 0.00 0.00 0.00 23.12 21.86 3iwk s ALA 457 CO 0.68 0.35 1.52 -1.25 0.00 0.00 0.00 175.76 177.07 3iwk s PRO 458 N -0.06 4.16 -0.11 0.00 0.04 -1.26 -4.35 135.00 133.41 3iwk s PRO 458 Ca -0.00 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.55 3iwk s PRO 458 Cb -0.13 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.40 3iwk s PRO 458 CO 0.03 -0.55 -0.10 -0.46 0.04 0.00 0.00 177.00 175.97 3iwk s TRP 459 N -0.34 1.65 0.00 0.56 -0.11 0.78 -4.96 118.94 116.53 3iwk s TRP 459 Ca 0.59 -0.82 0.00 0.00 1.22 0.00 0.00 56.10 57.09 3iwk s TRP 459 Cb -0.46 -1.30 0.00 0.00 -1.50 0.00 0.00 33.47 30.21 3iwk s TRP 459 CO 0.51 -0.51 0.00 0.41 -4.62 0.00 0.00 176.95 172.74 3iwk n GLY 460 N 4.72 -0.85 3.78 5.86 0.00 -1.26 -0.97 105.19 116.47 3iwk n GLY 460 Ca -0.15 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 2.66 0.49 -0.02 0.00 -1.26 -3.89 107.32 105.29 3iwk s GLY 461 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3iwk s GLY 461 CO 0.00 -2.06 0.05 0.29 0.00 0.00 0.00 173.10 171.38 3iwk n ILE 462 N -1.35 0.00 -3.54 0.90 -5.35 -0.41 -4.09 119.36 105.53 3iwk n ILE 462 Ca -0.09 -2.46 0.00 0.00 -0.27 0.00 0.00 62.75 59.92 3iwk n ILE 462 Cb 0.66 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 3iwk n ILE 462 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3iwk n LYS 463 N -1.18 0.00 0.00 6.28 5.02 -1.26 -2.15 118.16 124.87 3iwk n LYS 463 Ca -0.16 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.23 3iwk n LYS 463 Cb 0.65 0.00 0.61 0.00 -0.02 0.00 0.00 35.03 36.27 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 13.22 0.89 0.04 1.97 1.74 -0.06 -2.16 116.66 132.30 3iwk n ARG 464 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3iwk n ARG 464 Cb 0.00 -1.36 0.46 0.00 -1.02 0.00 0.00 32.46 30.54 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3iwk n SER 465 N -0.86 0.38 0.00 0.55 7.64 -0.92 -4.69 113.62 115.73 3iwk n SER 465 Ca 0.15 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3iwk n SER 465 Cb 0.07 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 1.43 0.44 3.63 0.23 0.00 -0.92 -0.45 105.19 109.56 3iwk n GLY 466 Ca 0.06 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.23 0.00 1.61 -0.71 -0.96 -3.76 117.98 113.93 3iwk s PHE 467 Ca 0.00 -0.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.76 3iwk s PHE 467 Cb 0.00 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 3iwk s PHE 467 CO 0.00 -1.03 0.00 0.41 -1.34 0.00 0.00 175.22 173.26 3iwk n GLY 468 N -0.40 -0.92 3.17 1.99 0.00 -1.26 -1.76 105.19 106.01 3iwk n GLY 468 Ca -0.09 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.51 2.06 0.44 1.61 1.81 -1.26 -4.45 118.95 115.66 3iwk s ARG 469 Ca 0.00 -0.70 0.08 0.00 -1.72 0.00 0.00 55.73 53.39 3iwk s ARG 469 Cb 0.00 -1.76 -0.00 0.00 -0.45 0.00 0.00 34.95 32.74 3iwk s ARG 469 CO 0.00 0.27 0.42 -1.21 -0.68 0.00 0.00 175.30 174.10 3iwk s GLU 470 N 0.02 2.49 0.38 3.54 2.02 -0.14 -3.59 118.70 123.43 3iwk s GLU 470 Ca -0.05 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 53.34 3iwk s GLU 470 Cb -0.13 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3iwk s GLU 470 CO 0.03 -0.30 0.00 1.28 0.02 0.00 0.00 175.26 176.29 3iwk n LEU 471 N -1.64 -0.65 0.00 1.80 4.77 -1.26 -0.15 117.00 119.86 3iwk n LEU 471 Ca 0.04 1.52 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 3iwk n LEU 471 Cb 0.62 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 3iwk n LEU 471 CO 0.42 -1.70 0.00 0.61 -1.33 0.00 0.00 177.39 175.39 3iwk n GLY 472 N -3.64 0.95 0.18 -0.72 0.00 -0.07 -0.77 105.19 101.11 3iwk n GLY 472 Ca -0.05 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.42 1.61 5.08 -1.88 -3.12 114.58 115.85 3iwk h GLU 473 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3iwk h GLU 473 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3iwk h GLU 473 CO 0.00 0.00 -0.23 -1.49 -1.00 0.00 0.00 179.01 176.29 3iwk h TRP 474 N 0.00 1.04 -0.94 4.33 6.55 -1.85 -2.18 115.95 122.90 3iwk h TRP 474 Ca 0.00 -0.27 0.06 0.00 0.95 0.00 0.00 58.89 59.63 3iwk h TRP 474 Cb 0.59 -0.24 -0.06 0.00 -0.86 0.00 0.00 29.16 28.59 3iwk h TRP 474 CO 0.00 1.06 0.61 0.78 -1.05 0.00 0.00 178.44 179.84 3iwk h GLY 475 N 0.72 1.38 0.84 1.49 0.00 -0.89 -0.39 103.07 106.23 3iwk h GLY 475 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3iwk h GLY 475 CO 0.07 0.34 0.04 -2.00 0.00 0.00 0.00 176.54 174.99 3iwk h LEU 476 N 1.11 0.27 -1.85 3.11 6.46 -1.61 -3.03 115.31 119.76 3iwk h LEU 476 Ca 0.40 -0.23 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3iwk h LEU 476 Cb 0.14 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3iwk h LEU 476 CO -0.14 0.42 0.13 -0.33 -0.62 0.00 0.00 178.44 177.90 3iwk h GLU 477 N 0.10 0.19 -0.11 1.25 4.39 -0.73 -1.70 114.58 117.97 3iwk h GLU 477 Ca 0.06 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3iwk h GLU 477 Cb 0.26 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3iwk h GLU 477 CO 0.00 0.13 0.20 -0.97 -1.16 0.00 0.00 179.01 177.20 3iwk h ASN 478 N 0.20 0.00 -0.06 1.42 -1.24 -0.96 -1.84 115.58 113.09 3iwk h ASN 478 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3iwk h ASN 478 Cb 0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.13 3iwk h ASN 478 CO -0.01 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.91 3iwk n TYR 479 N -3.43 0.08 -4.08 0.67 4.02 -0.66 -4.99 117.16 108.78 3iwk n TYR 479 Ca -0.00 -0.34 -0.30 0.00 -0.01 0.00 0.00 57.90 57.26 3iwk n TYR 479 Cb 0.29 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.52 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 -0.75 3.69 0.13 7.72 1.43 -0.69 -0.81 118.68 129.39 3iwk s LEU 480 Ca 0.05 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 3iwk s LEU 480 Cb 0.03 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 3iwk s LEU 480 CO 0.04 0.16 -0.20 -0.94 0.23 0.00 0.00 176.35 175.63 3iwk s SER 481 N -2.49 2.65 -0.10 2.29 1.04 0.45 -4.75 113.70 112.79 3iwk s SER 481 Ca 0.28 -0.76 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 3iwk s SER 481 Cb -0.12 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 3iwk s SER 481 CO 0.21 0.03 0.35 -0.69 0.98 0.00 0.00 173.24 174.13 3iwk s VAL 482 N -1.48 5.22 -0.17 5.02 1.01 -1.26 -1.77 120.40 126.97 3iwk s VAL 482 Ca 0.10 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.78 3iwk s VAL 482 Cb -0.08 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3iwk s VAL 482 CO 0.05 0.45 -0.17 -0.75 0.00 0.00 0.00 175.10 174.68 3iwk s LYS 483 N -0.04 3.13 -0.11 2.72 2.20 -0.09 -4.98 119.74 122.58 3iwk s LYS 483 Ca 0.20 -0.78 -0.24 0.00 -0.36 0.00 0.00 55.97 54.79 3iwk s LYS 483 Cb -0.14 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 3iwk s LYS 483 CO 0.08 -0.08 0.74 -1.14 -0.36 0.00 0.00 175.35 174.59 3iwk s GLN 484 N 1.02 4.38 -0.21 4.03 0.74 -1.26 -0.90 119.66 127.45 3iwk s GLN 484 Ca -0.02 0.90 0.01 0.00 0.05 0.00 0.00 55.36 56.30 3iwk s GLN 484 Cb -0.15 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.49 3iwk s GLN 484 CO -0.04 -0.08 -0.15 0.08 -0.55 0.00 0.00 175.29 174.55 3iwk s VAL 485 N 1.29 2.33 -0.07 1.34 1.01 0.06 -4.99 120.40 121.35 3iwk s VAL 485 Ca 0.37 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3iwk s VAL 485 Cb -0.17 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3iwk s VAL 485 CO 0.16 0.37 -0.14 -0.89 0.00 0.00 0.00 175.10 174.60 3iwk s THR 486 N 1.28 1.26 -0.07 3.92 2.01 -1.26 -0.92 115.64 121.85 3iwk s THR 486 Ca 0.02 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.52 3iwk s THR 486 Cb -0.15 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 3iwk s THR 486 CO -0.09 0.39 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.39 3iwk s ARG 487 N 0.70 2.76 -0.13 4.92 3.52 0.18 -4.97 118.95 125.93 3iwk s ARG 487 Ca -0.14 -0.87 -0.29 0.00 -0.13 0.00 0.00 55.73 54.30 3iwk s ARG 487 Cb -0.16 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 3iwk s ARG 487 CO 0.03 0.32 1.03 -0.47 -0.81 0.00 0.00 175.30 175.41 3iwk s TYR 488 N -0.01 3.44 -0.24 5.12 5.04 -1.26 -1.20 117.35 128.24 3iwk s TYR 488 Ca -0.08 1.53 -0.04 0.00 -2.44 0.00 0.00 57.07 56.04 3iwk s TYR 488 Cb -0.15 -3.23 -0.18 0.00 0.35 0.00 0.00 41.96 38.76 3iwk s TYR 488 CO 0.05 -0.37 -0.13 2.41 -1.34 0.00 0.00 175.55 176.17 3iwk n THR 489 N 4.76 1.55 -1.17 4.34 -1.04 -0.17 -4.99 114.28 117.56 3iwk n THR 489 Ca 0.10 -0.52 -0.33 0.00 -2.04 0.00 0.00 64.05 61.27 3iwk n THR 489 Cb 0.48 -1.61 0.12 0.00 -1.82 0.00 0.00 70.33 67.50 3iwk n THR 489 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3iwk s SER 490 N -6.83 3.84 0.00 8.00 0.15 -1.24 -4.95 113.70 112.67 3iwk s SER 490 Ca -0.33 2.21 0.27 0.00 0.70 0.00 0.00 55.95 58.79 3iwk s SER 490 Cb 0.10 -2.57 0.77 0.00 -1.71 0.00 0.00 66.02 62.60 3iwk s SER 490 CO 0.61 -2.49 1.58 0.47 1.20 0.00 0.00 173.24 174.60 3iwk n ASP 491 N -3.34 1.60 -4.77 5.45 9.92 -1.26 -4.96 116.55 119.19 3iwk n ASP 491 Ca 0.12 -1.39 -0.39 0.00 -0.53 0.00 0.00 54.79 52.60 3iwk n ASP 491 Cb 0.51 0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 41.05 3iwk n ASP 491 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3iwk s GLU 492 N -2.19 4.19 0.43 -1.24 8.01 -1.26 -5.01 118.70 121.63 3iwk s GLU 492 Ca 0.31 1.94 -0.25 0.00 0.01 0.00 0.00 54.97 56.98 3iwk s GLU 492 Cb 0.20 -2.84 -0.08 0.00 -4.31 0.00 0.00 34.13 27.10 3iwk s GLU 492 CO 0.40 -0.24 1.33 -1.25 0.01 0.00 0.00 175.26 175.52 3iwk s PRO 493 N -2.07 3.82 0.28 0.39 0.04 -1.26 -4.91 135.00 131.28 3iwk s PRO 493 Ca 0.54 2.21 0.01 0.00 0.04 0.00 0.00 61.00 63.80 3iwk s PRO 493 Cb -0.33 -2.67 0.53 0.00 0.04 0.00 0.00 34.50 32.07 3iwk s PRO 493 CO 0.43 -0.64 1.84 2.35 0.04 0.00 0.00 177.00 181.02 3iwk h TRP 494 N 2.46 1.13 -3.17 0.56 -0.00 -1.99 -3.46 115.95 111.47 3iwk h TRP 494 Ca -0.50 0.03 -0.23 0.00 -0.00 0.00 0.00 58.89 58.20 3iwk h TRP 494 Cb 1.26 -0.36 0.05 0.00 -0.00 0.00 0.00 29.16 30.11 3iwk h TRP 494 CO 0.52 0.46 -0.36 0.41 -0.00 0.00 0.00 178.44 179.47 3iwk n GLY 495 N -1.35 0.06 0.13 2.65 0.00 -1.26 -4.94 105.19 100.48 3iwk n GLY 495 Ca 0.18 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.93 0.66 -3.25 1.61 -0.00 -1.26 -4.99 117.44 106.28 3iwk n TRP 496 Ca -0.03 0.21 -0.23 0.00 -0.00 0.00 0.00 57.50 57.44 3iwk n TRP 496 Cb 0.55 -1.08 -0.00 0.00 -0.00 0.00 0.00 31.31 30.78 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 -2.48 3.41 -0.30 5.87 2.02 -1.26 -5.07 117.35 119.54 3iwk s TYR 497 Ca -0.31 0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.43 3iwk s TYR 497 Cb 0.09 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3iwk s TYR 497 CO 0.62 -0.03 0.97 -0.65 -1.57 0.00 0.00 175.55 174.89 3iwk s GLN 498 N -4.39 4.06 0.42 -0.62 -1.52 -1.26 -5.03 119.66 111.31 3iwk s GLN 498 Ca 0.43 0.95 -0.27 0.00 -1.95 0.00 0.00 55.36 54.52 3iwk s GLN 498 Cb -0.10 -3.72 -0.10 0.00 -0.22 0.00 0.00 33.01 28.88 3iwk s GLN 498 CO 0.37 -0.79 1.47 -2.14 -0.25 0.00 0.00 175.29 173.95 3iwk s PRO 499 N 3.35 3.88 0.82 2.91 0.02 -1.26 -5.00 135.00 139.72 3iwk s PRO 499 Ca 0.41 2.52 -0.10 0.00 0.02 0.00 0.00 61.00 63.84 3iwk s PRO 499 Cb -0.13 -2.81 0.08 0.00 0.02 0.00 0.00 34.50 31.67 3iwk s PRO 499 CO 0.13 -0.70 1.10 -1.25 -0.33 0.00 0.00 177.00 175.95 3iwk s PRO 500 N -2.29 1.88 0.05 5.54 0.04 -1.26 -4.98 135.00 133.98 3iwk s PRO 500 Ca 0.57 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 3iwk s PRO 500 Cb -0.46 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 3iwk s PRO 500 CO 0.60 -1.93 1.19 -1.12 0.04 0.00 0.00 177.00 175.79 3iwk s SER 501 N -3.23 7.08 0.00 6.66 0.01 -1.26 -5.33 113.70 117.64 3iwk s SER 501 Ca 0.63 1.98 0.13 0.00 1.31 0.00 0.00 55.95 60.00 3iwk s SER 501 Cb -0.18 -2.58 0.80 0.00 0.21 0.00 0.00 66.02 64.27 3iwk s SER 501 CO 0.57 -0.48 1.23 1.17 0.41 0.00 0.00 173.24 176.13