#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk s ARG 8 N 0.00 3.39 0.00 4.33 3.00 -1.26 -5.12 118.95 123.29 3iwk s ARG 8 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 55.73 55.89 3iwk s ARG 8 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 34.95 32.61 3iwk s ARG 8 CO 0.00 -0.34 0.00 1.04 0.00 0.00 0.00 175.30 176.00 3iwk n GLN 9 N -2.35 2.13 -2.48 3.54 1.13 -1.26 -4.56 117.38 113.52 3iwk n GLN 9 Ca 0.02 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.72 3iwk n GLN 9 Cb 0.56 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.88 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iwk s LEU 10 N 0.00 3.95 -0.45 1.08 1.43 -0.51 -4.79 118.68 119.40 3iwk s LEU 10 Ca 0.00 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 55.07 3iwk s LEU 10 Cb 0.00 -4.40 0.12 0.00 0.03 0.00 0.00 46.19 41.94 3iwk s LEU 10 CO 0.00 -0.75 0.30 0.12 0.23 0.00 0.00 176.35 176.25 3iwk s PHE 11 N -1.80 3.48 -0.08 0.29 5.36 -0.84 -0.47 117.98 123.92 3iwk s PHE 11 Ca 0.64 -2.05 0.02 0.00 -0.96 0.00 0.00 56.93 54.58 3iwk s PHE 11 Cb -0.20 -3.41 0.01 0.00 -0.34 0.00 0.00 43.02 39.08 3iwk s PHE 11 CO 0.25 -0.99 -0.13 0.42 -1.46 0.00 0.00 175.22 173.31 3iwk s ILE 12 N 1.29 1.25 -1.56 3.12 1.01 -0.63 -0.41 121.20 125.27 3iwk s ILE 12 Ca 0.07 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 3iwk s ILE 12 Cb -0.25 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.08 3iwk s ILE 12 CO -0.02 0.38 0.47 -0.67 0.00 0.00 0.00 174.94 175.10 3iwk n ASP 13 N 3.94 -5.79 -0.02 3.58 2.03 -1.26 -1.87 116.55 117.16 3iwk n ASP 13 Ca -0.21 -0.23 -0.00 0.00 0.52 0.00 0.00 54.79 54.87 3iwk n ASP 13 Cb 0.52 -4.72 -0.00 0.00 -0.72 0.00 0.00 41.12 36.20 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 -1.37 0.47 3.15 0.27 0.00 -1.26 -4.43 105.19 102.01 3iwk n GLY 14 Ca -0.13 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.58 0.77 0.02 1.61 0.41 -0.78 -4.93 118.70 115.22 3iwk s GLU 15 Ca 0.00 -0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 53.36 3iwk s GLU 15 Cb 0.00 -0.73 -0.05 0.00 -1.78 0.00 0.00 34.13 31.58 3iwk s GLU 15 CO 0.00 0.16 1.18 -1.58 -0.49 0.00 0.00 175.26 174.53 3iwk s TRP 16 N -1.26 3.39 -0.07 1.61 0.52 -1.26 -1.61 118.94 120.26 3iwk s TRP 16 Ca -0.03 1.32 -0.03 0.00 0.02 0.00 0.00 56.10 57.38 3iwk s TRP 16 Cb -0.10 -3.39 0.04 0.00 -1.15 0.00 0.00 33.47 28.87 3iwk s TRP 16 CO 0.02 -1.16 0.14 0.50 0.02 0.00 0.00 176.95 176.47 3iwk s ARG 17 N 1.38 0.05 0.26 4.98 6.06 0.38 -4.96 118.95 127.10 3iwk s ARG 17 Ca 0.57 0.43 -0.30 0.00 -2.50 0.00 0.00 55.73 53.94 3iwk s ARG 17 Cb -0.27 -0.24 -0.10 0.00 0.06 0.00 0.00 34.95 34.39 3iwk s ARG 17 CO 0.27 -0.23 1.44 0.08 -2.50 0.00 0.00 175.30 174.36 3iwk s VAL 18 N 1.67 2.62 0.36 7.11 1.01 -1.26 -1.42 120.40 130.49 3iwk s VAL 18 Ca -0.03 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 3iwk s VAL 18 Cb -0.12 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 3iwk s VAL 18 CO -0.05 0.09 0.92 -2.65 0.00 0.00 0.00 175.10 173.40 3iwk n PRO 19 N 2.24 1.18 -0.31 2.72 -0.02 -1.26 -4.89 135.00 134.66 3iwk n PRO 19 Ca 0.06 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3iwk n PRO 19 Cb 0.40 -1.84 0.19 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.58 0.90 -0.08 4.25 1.08 -1.93 -0.75 117.51 122.55 3iwk h ILE 20 Ca -0.41 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 3iwk h ILE 20 Cb 1.35 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3iwk h ILE 20 CO 0.57 0.15 0.00 0.18 -0.69 0.00 0.00 178.15 178.36 3iwk n LEU 21 N -4.72 2.12 -3.86 1.44 4.77 -1.26 -4.98 117.00 110.51 3iwk n LEU 21 Ca 0.15 -0.77 -0.28 0.00 -0.03 0.00 0.00 56.01 55.08 3iwk n LEU 21 Cb 0.31 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3iwk n LEU 21 CO 0.26 0.38 0.10 -3.20 -1.33 0.00 0.00 177.39 173.60 3iwk n ASN 22 N 0.65 -4.42 -4.95 -1.43 5.15 -0.29 -4.99 115.26 104.98 3iwk n ASN 22 Ca 0.17 -0.77 -0.24 0.00 -0.60 0.00 0.00 54.58 53.15 3iwk n ASN 22 Cb 0.44 -4.01 -0.02 0.00 -0.53 0.00 0.00 39.78 35.66 3iwk n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3iwk s LYS 23 N -6.51 3.47 0.02 1.20 1.02 -1.26 -5.03 119.74 112.65 3iwk s LYS 23 Ca 0.56 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 56.01 3iwk s LYS 23 Cb -0.28 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3iwk s LYS 23 CO 0.82 0.40 -0.05 1.03 -0.92 0.00 0.00 175.35 176.62 3iwk s ARG 24 N -3.72 0.41 -0.21 1.68 0.52 -1.26 -1.89 118.95 114.48 3iwk s ARG 24 Ca 0.36 -0.49 -0.08 0.00 -0.52 0.00 0.00 55.73 55.00 3iwk s ARG 24 Cb -0.10 -0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.10 3iwk s ARG 24 CO 0.30 0.05 0.09 0.42 0.02 0.00 0.00 175.30 176.18 3iwk s ILE 25 N -0.89 4.85 0.74 1.52 1.01 0.53 -4.87 121.20 124.09 3iwk s ILE 25 Ca -0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 3iwk s ILE 25 Cb -0.07 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 39.23 3iwk s ILE 25 CO -0.00 0.40 1.14 -2.16 0.00 0.00 0.00 174.94 174.33 3iwk s PRO 26 N 0.80 2.20 -0.14 2.79 0.04 -1.26 -0.81 135.00 138.62 3iwk s PRO 26 Ca 0.05 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 3iwk s PRO 26 Cb -0.13 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3iwk s PRO 26 CO 0.02 -1.73 -0.10 1.21 0.04 0.00 0.00 177.00 176.43 3iwk s ASN 27 N -2.57 2.55 -0.14 6.66 2.47 0.16 -4.82 114.94 119.24 3iwk s ASN 27 Ca 0.68 -0.46 -0.12 0.00 0.42 0.00 0.00 52.86 53.39 3iwk s ASN 27 Cb -0.23 -1.02 -0.05 0.00 -1.45 0.00 0.00 41.25 38.50 3iwk s ASN 27 CO 0.48 -0.10 0.23 -0.63 -3.72 0.00 0.00 177.10 173.36 3iwk s ILE 28 N 1.58 5.34 -0.26 -5.21 -1.09 -1.26 -1.20 121.20 119.10 3iwk s ILE 28 Ca 0.04 0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.59 3iwk s ILE 28 Cb -0.13 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 3iwk s ILE 28 CO -0.09 0.47 1.47 0.21 -1.23 0.00 0.00 174.94 175.77 3iwk s ASN 29 N -0.03 6.50 0.59 3.58 3.04 -0.27 -4.90 114.94 123.45 3iwk s ASN 29 Ca 0.15 1.40 0.35 0.00 0.04 0.00 0.00 52.86 54.80 3iwk s ASN 29 Cb -0.13 -2.54 1.86 0.00 -1.54 0.00 0.00 41.25 38.91 3iwk s ASN 29 CO 0.03 -1.19 2.20 1.55 -3.04 0.00 0.00 177.10 176.65 3iwk h PRO 30 N 10.13 0.00 0.00 0.43 0.13 -1.81 0.16 132.00 141.03 3iwk h PRO 30 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3iwk h PRO 30 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3iwk h PRO 30 CO 1.02 0.04 -0.25 1.03 -0.23 0.00 0.00 178.00 179.60 3iwk h SER 31 N 0.00 0.00 0.00 1.44 0.87 -1.90 -1.17 113.55 112.78 3iwk h SER 31 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3iwk h SER 31 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3iwk h SER 31 CO 0.00 0.00 -0.64 0.35 -0.53 0.00 0.00 176.83 176.02 3iwk n THR 32 N -2.93 0.00 -1.03 2.23 -2.24 -0.95 -3.91 114.28 105.45 3iwk n THR 32 Ca 0.03 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 3iwk n THR 32 Cb 0.53 0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.11 -0.48 -3.65 -0.78 1.02 0.50 -4.47 120.64 111.67 3iwk n GLU 33 Ca 0.00 0.25 -0.31 0.00 -0.02 0.00 0.00 57.16 57.08 3iwk n GLU 33 Cb 0.10 -3.71 -0.05 0.00 -0.02 0.00 0.00 31.44 27.77 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 -2.21 6.49 -0.10 1.62 0.01 -1.25 -4.87 114.94 114.64 3iwk s ASN 34 Ca 0.00 0.61 -0.30 0.00 -0.71 0.00 0.00 52.86 52.46 3iwk s ASN 34 Cb 0.00 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 3iwk s ASN 34 CO 0.00 0.04 1.19 -0.63 -1.51 0.00 0.00 177.10 176.18 3iwk s ILE 35 N -1.68 4.34 -0.93 0.60 1.01 -1.26 -1.12 121.20 122.16 3iwk s ILE 35 Ca 0.41 1.65 0.09 0.00 0.00 0.00 0.00 60.65 62.80 3iwk s ILE 35 Cb -0.12 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.33 3iwk s ILE 35 CO 0.25 -0.04 0.68 2.30 0.00 0.00 0.00 174.94 178.12 3iwk n ILE 36 N 4.82 0.00 -3.69 2.92 -5.35 -0.34 -4.94 119.36 112.78 3iwk n ILE 36 Ca 0.11 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3iwk n ILE 36 Cb 0.46 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.50 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 0.65 -1.11 3.45 3.28 0.00 -1.23 -5.03 105.19 105.21 3iwk n GLY 37 Ca 0.04 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.01 0.09 1.61 1.47 -1.26 -0.66 116.67 113.90 3iwk s ASP 38 Ca 0.00 -1.01 0.04 0.00 1.18 0.00 0.00 52.55 52.76 3iwk s ASP 38 Cb 0.00 0.51 -0.03 0.00 -0.34 0.00 0.00 42.92 43.05 3iwk s ASP 38 CO 0.00 -1.02 -0.11 0.27 0.68 0.00 0.00 175.17 174.99 3iwk s ILE 39 N -4.04 0.96 0.43 2.11 -4.36 0.01 -4.87 121.20 111.45 3iwk s ILE 39 Ca 0.25 -1.58 -0.26 0.00 -0.26 0.00 0.00 60.65 58.79 3iwk s ILE 39 Cb 0.02 -1.30 -0.09 0.00 1.25 0.00 0.00 42.46 42.33 3iwk s ILE 39 CO 0.08 -0.51 1.44 -2.84 0.24 0.00 0.00 174.94 173.35 3iwk s PRO 40 N -2.62 3.83 -0.60 0.37 0.02 -1.26 -0.35 135.00 134.39 3iwk s PRO 40 Ca 0.04 2.46 -0.04 0.00 0.02 0.00 0.00 61.00 63.48 3iwk s PRO 40 Cb -0.04 -2.76 0.16 0.00 0.02 0.00 0.00 34.50 31.88 3iwk s PRO 40 CO 0.00 -0.72 0.43 0.00 -0.33 0.00 0.00 177.00 176.38 3iwk s ALA 41 N -1.18 3.55 0.42 -1.55 0.00 -0.79 -3.52 121.76 118.69 3iwk s ALA 41 Ca 0.58 -3.12 -0.24 0.00 0.00 0.00 0.00 51.96 49.18 3iwk s ALA 41 Cb -0.44 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 3iwk s ALA 41 CO 0.58 -2.06 1.09 0.00 0.00 0.00 0.00 175.76 175.37 3iwk s ALA 42 N 0.20 3.05 0.38 0.00 0.00 -0.38 -4.51 121.76 120.50 3iwk s ALA 42 Ca 0.15 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.90 3iwk s ALA 42 Cb -0.20 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3iwk s ALA 42 CO -0.04 -0.36 0.02 0.25 0.00 0.00 0.00 175.76 175.63 3iwk n THR 43 N -0.21 0.00 -0.33 0.00 -2.24 -1.26 -3.62 114.28 106.62 3iwk n THR 43 Ca 0.06 -1.87 0.18 0.00 -2.27 0.00 0.00 64.05 60.15 3iwk n THR 43 Cb 0.49 0.42 0.43 0.00 -2.10 0.00 0.00 70.33 69.57 3iwk n THR 43 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3iwk h LYS 44 N 0.00 0.53 -0.29 -0.78 3.64 -1.95 -1.21 116.57 116.52 3iwk h LYS 44 Ca -0.32 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 3iwk h LYS 44 Cb 0.99 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3iwk h LYS 44 CO 0.52 0.35 -0.22 0.93 -2.27 0.00 0.00 179.45 178.76 3iwk h GLU 45 N 0.54 0.55 -0.22 1.90 3.07 -2.00 -1.41 114.58 117.02 3iwk h GLU 45 Ca 0.60 -0.20 -0.18 0.00 -0.50 0.00 0.00 59.36 59.08 3iwk h GLU 45 Cb 1.24 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3iwk h GLU 45 CO -0.36 0.73 -0.55 -0.44 -1.40 0.00 0.00 179.01 176.99 3iwk h ASP 46 N 0.49 0.86 -0.71 1.42 5.19 -1.63 -2.90 116.42 119.14 3iwk h ASP 46 Ca 0.07 -0.57 -0.03 0.00 -0.62 0.00 0.00 57.03 55.88 3iwk h ASP 46 Cb 0.65 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 3iwk h ASP 46 CO 0.05 1.28 0.32 0.58 -3.12 0.00 0.00 179.24 178.35 3iwk h VAL 47 N 0.49 1.24 -0.46 -1.35 2.07 -1.27 -0.86 116.25 116.11 3iwk h VAL 47 Ca -0.01 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3iwk h VAL 47 Cb 1.17 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3iwk h VAL 47 CO 0.12 0.29 0.20 0.44 0.02 0.00 0.00 177.57 178.63 3iwk h ASP 48 N 1.00 0.25 -0.81 0.57 3.32 -1.28 0.13 116.42 119.59 3iwk h ASP 48 Ca 0.24 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3iwk h ASP 48 Cb 0.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3iwk h ASP 48 CO -0.03 0.18 0.43 -0.07 -1.72 0.00 0.00 179.24 178.03 3iwk h LEU 49 N 0.39 1.03 -0.17 1.55 3.38 -1.26 -0.08 115.31 120.16 3iwk h LEU 49 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3iwk h LEU 49 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3iwk h LEU 49 CO -0.18 0.84 0.05 0.00 0.09 0.00 0.00 178.44 179.24 3iwk h ALA 50 N 1.23 0.22 -0.72 1.53 0.00 -0.58 -0.37 119.26 120.57 3iwk h ALA 50 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 50 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 50 CO -0.04 -0.16 0.19 0.28 0.00 0.00 0.00 179.25 179.51 3iwk h VAL 51 N 0.10 1.26 -0.33 0.00 2.07 -0.68 -1.82 116.25 116.85 3iwk h VAL 51 Ca 0.05 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3iwk h VAL 51 Cb 0.22 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3iwk h VAL 51 CO -0.00 0.37 0.12 0.44 0.02 0.00 0.00 177.57 178.52 3iwk h ASP 52 N 1.08 0.13 -0.93 0.57 5.19 -0.86 -0.48 116.42 121.11 3iwk h ASP 52 Ca 0.23 0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 3iwk h ASP 52 Cb 0.35 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 3iwk h ASP 52 CO -0.00 0.11 0.60 0.00 -3.12 0.00 0.00 179.24 176.83 3iwk h ALA 53 N 1.21 1.28 -0.25 3.45 0.00 -0.78 -1.14 119.26 123.02 3iwk h ALA 53 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 53 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3iwk h ALA 53 CO -0.15 0.39 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 3iwk h ALA 54 N 1.42 0.35 -0.74 0.00 0.00 -0.98 -1.17 119.26 118.14 3iwk h ALA 54 Ca 0.40 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3iwk h ALA 54 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3iwk h ALA 54 CO -0.16 0.11 0.47 0.87 0.00 0.00 0.00 179.25 180.54 3iwk h LYS 55 N 0.23 0.89 -0.15 0.00 1.79 -0.81 -1.61 116.57 116.91 3iwk h LYS 55 Ca 0.07 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 3iwk h LYS 55 Cb 0.47 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3iwk h LYS 55 CO 0.02 0.59 -0.31 0.00 -1.08 0.00 0.00 179.45 178.67 3iwk h ARG 56 N 0.92 0.28 -0.13 3.15 3.08 -1.19 -2.68 114.38 117.82 3iwk h ARG 56 Ca 0.30 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 3iwk h ARG 56 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3iwk h ARG 56 CO -0.11 0.57 -0.11 0.00 -1.07 0.00 0.00 179.97 179.25 3iwk h ALA 57 N 1.43 1.56 0.00 0.04 0.00 -0.22 -0.07 119.26 122.00 3iwk h ALA 57 Ca 0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3iwk h ALA 57 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3iwk h ALA 57 CO 0.05 0.32 -1.72 0.44 0.00 0.00 0.00 179.25 178.33 3iwk n ILE 58 N -4.30 0.97 0.11 0.00 -5.35 -1.01 -4.14 119.36 105.64 3iwk n ILE 58 Ca -0.01 -0.68 0.05 0.00 -0.27 0.00 0.00 62.75 61.84 3iwk n ILE 58 Cb 0.25 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.64 3iwk n ILE 58 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3iwk h SER 59 N 0.00 0.00 -1.75 7.28 4.64 -1.43 -3.26 113.55 119.03 3iwk h SER 59 Ca -0.21 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.45 3iwk h SER 59 Cb 1.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.69 3iwk h SER 59 CO 0.03 0.35 1.08 -1.14 -0.87 0.00 0.00 176.83 176.29 3iwk n ARG 60 N -3.01 1.69 -3.80 4.77 0.63 -0.05 -2.07 116.66 114.83 3iwk n ARG 60 Ca -0.01 0.60 -0.28 0.00 -0.92 0.00 0.00 57.85 57.24 3iwk n ARG 60 Cb 0.70 -2.45 0.04 0.00 0.45 0.00 0.00 32.46 31.21 3iwk n ARG 60 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3iwk n LYS 61 N 6.47 -6.26 -1.99 -0.14 5.02 -1.26 -1.91 118.16 118.10 3iwk n LYS 61 Ca 0.26 0.67 -0.19 0.00 -2.02 0.00 0.00 58.31 57.04 3iwk n LYS 61 Cb 0.23 -5.60 -0.04 0.00 -0.02 0.00 0.00 35.03 29.60 3iwk n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iwk n ASN 62 N -2.91 -5.43 0.00 4.39 5.03 -0.88 -2.75 115.26 112.71 3iwk n ASN 62 Ca 0.00 0.21 0.00 0.00 0.87 0.00 0.00 54.58 55.67 3iwk n ASN 62 Cb 0.55 -4.55 0.00 0.00 -1.02 0.00 0.00 39.78 34.76 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3iwk n GLY 63 N -0.83 1.66 0.32 7.41 0.00 -0.80 -4.65 105.19 108.31 3iwk n GLY 63 Ca -0.21 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.99 3iwk n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iwk h ARG 64 N 2.95 0.00 0.00 1.61 2.47 -1.65 0.64 114.38 120.40 3iwk h ARG 64 Ca 0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3iwk h ARG 64 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3iwk h ARG 64 CO 0.00 0.00 -0.08 -0.44 0.56 0.00 0.00 179.97 180.01 3iwk h ASP 65 N 0.00 0.00 0.00 7.04 3.32 -1.83 -3.39 116.42 121.56 3iwk h ASP 65 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3iwk h ASP 65 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3iwk h ASP 65 CO -0.00 0.08 0.00 1.87 -1.72 0.00 0.00 179.24 179.47 3iwk n TRP 66 N -3.12 -1.23 0.16 4.55 -0.00 0.02 -4.93 117.44 112.89 3iwk n TRP 66 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.56 3iwk n TRP 66 Cb 0.56 0.43 0.19 0.00 -0.00 0.00 0.00 31.31 32.49 3iwk n TRP 66 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3iwk h SER 67 N 0.00 0.00 -0.20 5.87 4.64 -1.39 -2.83 113.55 119.63 3iwk h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwk h SER 67 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3iwk h SER 67 CO 0.00 0.50 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 3iwk n ALA 68 N -2.30 2.38 -1.62 5.18 0.00 -0.06 -4.75 120.51 119.35 3iwk n ALA 68 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 53.44 52.30 3iwk n ALA 68 Cb 0.63 -0.53 0.12 0.00 0.00 0.00 0.00 19.45 19.66 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk s ALA 69 N -1.14 2.05 0.44 0.00 0.00 -1.07 -4.76 121.76 117.27 3iwk s ALA 69 Ca 0.23 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 3iwk s ALA 69 Cb 0.14 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 3iwk s ALA 69 CO 0.20 -2.04 1.40 0.45 0.00 0.00 0.00 175.76 175.76 3iwk s SER 70 N -4.11 5.99 0.57 0.00 0.15 -1.26 -4.91 113.70 110.12 3iwk s SER 70 Ca 0.63 2.86 0.26 0.00 0.70 0.00 0.00 55.95 60.39 3iwk s SER 70 Cb -0.14 -2.65 1.59 0.00 -1.71 0.00 0.00 66.02 63.11 3iwk s SER 70 CO 0.53 -1.09 2.15 1.23 1.20 0.00 0.00 173.24 177.25 3iwk h GLY 71 N 2.42 0.00 2.00 9.45 0.00 -1.93 -1.73 103.07 113.28 3iwk h GLY 71 Ca -0.51 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3iwk h GLY 71 CO 0.61 0.00 -0.02 1.48 0.00 0.00 0.00 176.54 178.62 3iwk h SER 72 N 0.00 0.00 -0.28 0.19 4.64 -1.86 -1.28 113.55 114.96 3iwk h SER 72 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 3iwk h SER 72 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3iwk h SER 72 CO -0.00 0.02 -0.23 0.25 -0.87 0.00 0.00 176.83 176.00 3iwk h LEU 73 N 0.00 0.68 -0.44 5.97 5.85 -1.69 -3.03 115.31 122.66 3iwk h LEU 73 Ca -0.00 -0.45 -0.17 0.00 0.84 0.00 0.00 57.88 58.10 3iwk h LEU 73 Cb 0.84 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 3iwk h LEU 73 CO 0.00 0.99 -0.57 0.03 -0.34 0.00 0.00 178.44 178.55 3iwk h ARG 74 N 0.38 0.63 -0.97 1.25 3.08 -1.50 -3.07 114.38 114.19 3iwk h ARG 74 Ca 0.05 -0.41 0.10 0.00 0.07 0.00 0.00 59.98 59.79 3iwk h ARG 74 Cb 0.78 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.80 3iwk h ARG 74 CO 0.06 1.03 0.60 0.00 -1.07 0.00 0.00 179.97 180.59 3iwk h ALA 75 N 0.88 1.41 -0.68 0.04 0.00 -1.29 -1.07 119.26 118.55 3iwk h ALA 75 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 75 Cb 1.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3iwk h ALA 75 CO 0.11 0.26 0.28 -0.09 0.00 0.00 0.00 179.25 179.82 3iwk h ARG 76 N 1.01 0.99 -0.41 0.00 2.43 -1.43 0.11 114.38 117.08 3iwk h ARG 76 Ca 0.46 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 59.32 3iwk h ARG 76 Cb 0.37 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3iwk h ARG 76 CO -0.23 0.80 -0.32 1.88 -1.51 0.00 0.00 179.97 180.59 3iwk h TYR 77 N 0.98 1.12 -0.56 2.20 0.05 -1.38 -2.61 116.97 116.77 3iwk h TYR 77 Ca 0.23 -0.31 -0.06 0.00 0.05 0.00 0.00 58.73 58.64 3iwk h TYR 77 Cb 0.17 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3iwk h TYR 77 CO 0.01 1.14 0.10 -0.07 -1.05 0.00 0.00 178.16 178.30 3iwk h LEU 78 N 0.77 0.83 -0.69 3.88 3.38 -0.42 -0.54 115.31 122.53 3iwk h LEU 78 Ca 0.08 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3iwk h LEU 78 Cb 0.91 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3iwk h LEU 78 CO 0.08 0.83 -0.45 0.03 0.09 0.00 0.00 178.44 179.03 3iwk h ARG 79 N 0.84 0.48 -0.29 1.13 3.08 -0.85 -1.62 114.38 117.15 3iwk h ARG 79 Ca 0.18 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.82 3iwk h ARG 79 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3iwk h ARG 79 CO 0.00 0.84 -0.42 0.00 -1.07 0.00 0.00 179.97 179.32 3iwk h ALA 80 N 1.13 0.72 -0.19 0.04 0.00 -1.04 -0.91 119.26 119.00 3iwk h ALA 80 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3iwk h ALA 80 Cb 0.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3iwk h ALA 80 CO 0.08 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.89 3iwk h ILE 81 N 0.58 1.17 -0.23 0.00 2.04 -1.07 -2.21 117.51 117.80 3iwk h ILE 81 Ca 0.04 -0.52 0.05 0.00 1.00 0.00 0.00 64.86 65.43 3iwk h ILE 81 Cb 0.96 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3iwk h ILE 81 CO 0.09 0.16 -0.06 0.00 0.00 0.00 0.00 178.15 178.35 3iwk h ALA 82 N 0.90 0.15 -0.85 1.87 0.00 -1.15 -1.14 119.26 119.04 3iwk h ALA 82 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iwk h ALA 82 Cb 0.19 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3iwk h ALA 82 CO -0.00 -0.47 0.54 0.00 0.00 0.00 0.00 179.25 179.32 3iwk h ALA 83 N 1.23 1.07 -0.59 0.00 0.00 -1.14 0.49 119.26 120.32 3iwk h ALA 83 Ca 0.11 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 83 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3iwk h ALA 83 CO -0.23 0.50 -0.04 -0.22 0.00 0.00 0.00 179.25 179.26 3iwk h LYS 84 N 1.15 1.06 -0.58 0.00 1.63 -1.15 -1.97 116.57 116.71 3iwk h LYS 84 Ca 0.31 -0.36 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 3iwk h LYS 84 Cb -0.10 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 3iwk h LYS 84 CO -0.06 1.06 0.08 0.82 -3.45 0.00 0.00 179.45 177.89 3iwk h ILE 85 N 0.96 1.26 -0.54 2.00 2.04 -0.86 -2.82 117.51 119.54 3iwk h ILE 85 Ca 0.16 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3iwk h ILE 85 Cb 0.60 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3iwk h ILE 85 CO 0.04 0.37 0.30 0.50 0.00 0.00 0.00 178.15 179.36 3iwk h LYS 86 N 0.87 0.57 -0.04 2.37 3.64 -0.65 -1.75 116.57 121.58 3iwk h LYS 86 Ca 0.17 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3iwk h LYS 86 Cb 0.45 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3iwk h LYS 86 CO 0.01 0.38 -0.32 1.05 -2.27 0.00 0.00 179.45 178.30 3iwk h GLU 87 N 0.59 0.08 -0.62 1.90 4.11 -1.34 -2.89 114.58 116.42 3iwk h GLU 87 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3iwk h GLU 87 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3iwk h GLU 87 CO -0.13 0.40 0.00 1.63 0.07 0.00 0.00 179.01 180.98 3iwk n LYS 88 N -4.13 3.04 0.12 1.06 5.02 -0.89 -4.73 118.16 117.64 3iwk n LYS 88 Ca -0.02 -2.13 -0.15 0.00 -2.02 0.00 0.00 58.31 53.99 3iwk n LYS 88 Cb 0.38 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.58 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 3.06 -0.66 -0.81 1.97 3.64 -1.11 -0.88 116.57 121.78 3iwk h LYS 89 Ca 0.00 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3iwk h LYS 89 Cb 1.15 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3iwk h LYS 89 CO 0.18 -0.44 0.34 -0.44 -2.27 0.00 0.00 179.45 176.81 3iwk h ASP 90 N -0.69 1.11 -0.13 4.20 3.32 -1.86 -0.36 116.42 122.01 3iwk h ASP 90 Ca 0.01 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3iwk h ASP 90 Cb 0.71 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3iwk h ASP 90 CO -0.26 0.97 0.08 -0.08 -1.72 0.00 0.00 179.24 178.23 3iwk h GLU 91 N 1.18 0.19 -0.17 3.56 4.81 -1.86 -2.33 114.58 119.96 3iwk h GLU 91 Ca 0.27 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3iwk h GLU 91 Cb 0.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3iwk h GLU 91 CO -0.02 0.18 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.95 3iwk h LEU 92 N 0.14 0.42 -0.48 1.64 3.38 -0.95 -2.45 115.31 117.01 3iwk h LEU 92 Ca 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3iwk h LEU 92 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3iwk h LEU 92 CO -0.01 0.79 0.24 1.23 0.09 0.00 0.00 178.44 180.78 3iwk h GLY 93 N 1.16 0.73 0.78 0.83 0.00 -0.98 0.14 103.07 105.73 3iwk h GLY 93 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.03 3iwk h GLY 93 CO 0.07 0.33 0.07 1.70 0.00 0.00 0.00 176.54 178.71 3iwk h LYS 94 N 0.63 0.17 -0.71 4.80 3.64 -1.27 0.42 116.57 124.25 3iwk h LYS 94 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3iwk h LYS 94 Cb 0.09 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3iwk h LYS 94 CO -0.02 0.11 0.38 -0.07 -2.27 0.00 0.00 179.45 177.57 3iwk h LEU 95 N 0.17 0.90 -0.54 5.20 3.38 -1.13 -1.25 115.31 122.04 3iwk h LEU 95 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iwk h LEU 95 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3iwk h LEU 95 CO -0.12 0.75 0.34 -0.08 0.09 0.00 0.00 178.44 179.41 3iwk h GLU 96 N 0.98 0.72 -0.32 1.13 4.57 -0.36 0.11 114.58 121.41 3iwk h GLU 96 Ca 0.25 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 3iwk h GLU 96 Cb 0.06 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3iwk h GLU 96 CO -0.04 0.51 -0.21 1.03 -1.18 0.00 0.00 179.01 179.12 3iwk h SER 97 N 0.73 0.62 -0.03 1.04 0.87 -0.64 -1.87 113.55 114.26 3iwk h SER 97 Ca 0.19 -0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 3iwk h SER 97 Cb -0.04 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3iwk h SER 97 CO -0.04 0.83 -0.60 0.40 -0.53 0.00 0.00 176.83 176.89 3iwk h ILE 98 N 0.55 1.31 -0.29 2.23 2.04 -1.07 -2.47 117.51 119.82 3iwk h ILE 98 Ca 0.08 -1.85 -0.18 0.00 1.00 0.00 0.00 64.86 63.91 3iwk h ILE 98 Cb 0.67 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3iwk h ILE 98 CO 0.05 0.58 -0.51 -0.78 0.00 0.00 0.00 178.15 177.49 3iwk h ASP 99 N 0.47 0.95 0.00 1.72 3.58 -0.42 -3.38 116.42 119.34 3iwk h ASP 99 Ca -0.00 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.92 3iwk h ASP 99 Cb 1.18 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.95 3iwk h ASP 99 CO 0.12 1.29 -0.27 0.00 -2.88 0.00 0.00 179.24 177.50 3iwk n GLY 101 N 1.27 0.75 3.81 0.00 0.00 -0.93 -4.34 105.19 105.75 3iwk n GLY 101 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.49 4.13 0.40 1.61 -2.85 -1.25 -3.55 119.74 117.73 3iwk s LYS 102 Ca 0.00 1.22 -0.25 0.00 -1.00 0.00 0.00 55.97 55.94 3iwk s LYS 102 Cb 0.00 -2.21 -0.11 0.00 -2.06 0.00 0.00 37.83 33.45 3iwk s LYS 102 CO 0.00 -0.13 1.13 -2.30 0.10 0.00 0.00 175.35 174.15 3iwk n PRO 103 N -0.63 1.62 -0.29 1.78 -0.02 -1.26 -4.54 135.00 131.66 3iwk n PRO 103 Ca 0.07 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.21 3iwk n PRO 103 Cb 0.53 -2.17 0.24 0.00 -0.02 0.00 0.00 33.50 32.08 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 1.85 0.40 -1.66 2.45 5.85 -1.33 -0.33 115.31 122.55 3iwk h LEU 104 Ca -0.45 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3iwk h LEU 104 Cb 1.32 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3iwk h LEU 104 CO 0.59 0.12 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.31 3iwk h GLU 105 N 0.51 0.00 -0.25 1.25 5.08 -1.89 0.08 114.58 119.36 3iwk h GLU 105 Ca 0.48 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 3iwk h GLU 105 Cb 0.78 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3iwk h GLU 105 CO -0.43 0.17 -0.09 0.93 -1.00 0.00 0.00 179.01 178.59 3iwk h GLU 106 N 0.00 0.50 -0.88 2.33 5.08 -1.43 -2.67 114.58 117.52 3iwk h GLU 106 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3iwk h GLU 106 Cb 0.30 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3iwk h GLU 106 CO 0.02 0.74 0.51 0.00 -1.00 0.00 0.00 179.01 179.28 3iwk h ALA 107 N 0.74 1.12 -0.67 3.43 0.00 -0.81 -1.39 119.26 121.69 3iwk h ALA 107 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 107 Cb 0.58 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 107 CO 0.03 0.60 0.24 -0.07 0.00 0.00 0.00 179.25 180.05 3iwk h LEU 108 N 1.21 0.94 -0.73 0.00 4.07 -1.03 -1.74 115.31 118.03 3iwk h LEU 108 Ca 0.31 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 3iwk h LEU 108 Cb -0.02 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 3iwk h LEU 108 CO -0.06 0.87 0.29 0.00 -1.08 0.00 0.00 178.44 178.46 3iwk h ALA 109 N 1.10 0.94 -0.87 1.53 0.00 -1.18 -1.82 119.26 118.97 3iwk h ALA 109 Ca 0.22 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 109 Cb 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3iwk h ALA 109 CO -0.01 0.57 0.55 -0.44 0.00 0.00 0.00 179.25 179.92 3iwk h ASP 110 N 1.04 0.89 0.03 0.00 3.45 -0.91 -1.24 116.42 119.69 3iwk h ASP 110 Ca 0.24 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.56 3iwk h ASP 110 Cb 0.22 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 3iwk h ASP 110 CO -0.02 0.59 -0.51 -0.07 -1.57 0.00 0.00 179.24 177.67 3iwk h LEU 111 N 1.04 0.58 -0.58 1.55 4.07 -1.01 0.28 115.31 121.24 3iwk h LEU 111 Ca 0.36 -0.29 0.07 0.00 0.08 0.00 0.00 57.88 58.10 3iwk h LEU 111 Cb 0.09 -0.17 -0.06 0.00 1.08 0.00 0.00 40.66 41.61 3iwk h LEU 111 CO -0.14 0.99 0.27 -0.78 -1.08 0.00 0.00 178.44 177.69 3iwk h ASP 112 N 0.42 0.35 -0.19 -0.43 3.58 -1.05 -1.97 116.42 117.14 3iwk h ASP 112 Ca 0.02 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 3iwk h ASP 112 Cb 1.03 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 3iwk h ASP 112 CO 0.09 0.23 -0.26 0.44 -2.88 0.00 0.00 179.24 176.86 3iwk h ASP 113 N 0.50 0.67 -0.44 2.28 3.32 -0.55 -2.15 116.42 120.05 3iwk h ASP 113 Ca 0.27 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3iwk h ASP 113 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3iwk h ASP 113 CO -0.22 0.91 0.29 0.58 -1.72 0.00 0.00 179.24 179.08 3iwk h VAL 114 N 0.57 1.10 0.07 -1.35 2.07 -0.18 -1.11 116.25 117.43 3iwk h VAL 114 Ca 0.08 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3iwk h VAL 114 Cb 0.74 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3iwk h VAL 114 CO 0.06 0.11 -0.04 0.58 0.02 0.00 0.00 177.57 178.30 3iwk h VAL 115 N 0.59 0.93 -0.41 2.57 2.07 -1.16 -2.42 116.25 118.41 3iwk h VAL 115 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3iwk h VAL 115 Cb -0.05 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3iwk h VAL 115 CO -0.04 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.74 3iwk h ALA 116 N 0.83 1.57 -0.14 1.67 0.00 -1.24 -1.56 119.26 120.39 3iwk h ALA 116 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 116 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3iwk h ALA 116 CO 0.02 0.35 -0.24 0.00 0.00 0.00 0.00 179.25 179.37 3iwk h PHE 118 N 0.00 1.03 -0.37 0.00 0.04 -1.28 -1.35 116.94 115.01 3iwk h PHE 118 Ca 0.01 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 3iwk h PHE 118 Cb 0.82 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3iwk h PHE 118 CO 0.10 0.61 0.05 0.93 -0.60 0.00 0.00 178.31 179.40 3iwk h GLU 119 N 1.08 0.62 -0.04 1.51 5.08 -1.04 -1.35 114.58 120.44 3iwk h GLU 119 Ca 0.33 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3iwk h GLU 119 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3iwk h GLU 119 CO -0.10 0.69 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.59 3iwk h TYR 120 N 0.46 -0.22 0.00 4.33 3.20 0.07 -2.68 116.97 122.13 3iwk h TYR 120 Ca 0.11 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3iwk h TYR 120 Cb 0.38 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 3iwk h TYR 120 CO 0.03 -0.13 -0.11 1.88 -1.64 0.00 0.00 178.16 178.18 3iwk h TYR 121 N -0.13 0.00 -0.64 -3.82 -1.99 -1.16 -2.04 116.97 107.19 3iwk h TYR 121 Ca 0.05 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3iwk h TYR 121 Cb 0.20 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.90 3iwk h TYR 121 CO -0.17 0.11 0.32 0.00 -0.00 0.00 0.00 178.16 178.42 3iwk h ALA 122 N 1.89 0.83 -0.69 3.88 0.00 -1.06 -0.69 119.26 123.42 3iwk h ALA 122 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3iwk h ALA 122 Cb 0.73 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3iwk h ALA 122 CO 0.01 0.38 0.30 0.78 0.00 0.00 0.00 179.25 180.73 3iwk h GLY 123 N 0.89 1.08 1.77 0.00 0.00 -1.05 -2.52 103.07 103.24 3iwk h GLY 123 Ca 0.22 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 3iwk h GLY 123 CO -0.03 0.54 -0.34 1.41 0.00 0.00 0.00 176.54 178.12 3iwk h LEU 124 N 0.97 0.27 -0.43 3.11 4.07 -1.36 -2.82 115.31 119.11 3iwk h LEU 124 Ca 0.23 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 3iwk h LEU 124 Cb 0.17 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3iwk h LEU 124 CO -0.02 0.60 0.15 0.00 -1.08 0.00 0.00 178.44 178.08 3iwk h ALA 125 N 1.42 0.57 0.00 1.53 0.00 -0.77 -2.38 119.26 119.64 3iwk h ALA 125 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 125 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3iwk h ALA 125 CO 0.05 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 3iwk n GLU 126 N -4.58 0.18 0.17 0.00 0.28 -0.98 -2.29 120.64 113.42 3iwk n GLU 126 Ca 0.00 0.19 0.12 0.00 -0.16 0.00 0.00 57.16 57.32 3iwk n GLU 126 Cb 0.17 -1.73 0.15 0.00 1.43 0.00 0.00 31.44 31.46 3iwk n GLU 126 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3iwk h GLU 127 N 0.00 0.00 -0.58 3.44 5.08 -1.31 -3.38 114.58 117.83 3iwk h GLU 127 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3iwk h GLU 127 Cb 0.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3iwk h GLU 127 CO 0.00 0.00 0.26 1.25 -1.00 0.00 0.00 179.01 179.52 3iwk h LEU 128 N 0.00 0.74 -1.12 1.33 5.85 -1.00 -2.67 115.31 118.44 3iwk h LEU 128 Ca 0.00 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3iwk h LEU 128 Cb 0.96 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3iwk h LEU 128 CO 0.00 0.65 0.59 0.44 -0.34 0.00 0.00 178.44 179.78 3iwk h ASP 129 N 0.82 1.03 1.10 1.25 5.19 -1.74 -2.09 116.42 121.98 3iwk h ASP 129 Ca 0.20 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3iwk h ASP 129 Cb 0.12 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.37 3iwk h ASP 129 CO -0.02 0.75 0.00 0.77 -3.12 0.00 0.00 179.24 177.61 3iwk h SER 130 N 1.21 0.00 0.87 6.45 4.64 -1.74 -3.12 113.55 121.85 3iwk h SER 130 Ca 0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 3iwk h SER 130 Cb -0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3iwk h SER 130 CO -0.07 0.00 -1.15 0.29 -0.87 0.00 0.00 176.83 175.03 3iwk n LYS 131 N -2.43 0.61 -1.61 4.77 5.02 -0.81 -4.89 118.16 118.83 3iwk n LYS 131 Ca 0.03 0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 56.01 3iwk n LYS 131 Cb 0.33 -1.80 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 3iwk n LYS 131 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3iwk n GLN 132 N -2.66 1.34 -1.81 1.97 3.00 -1.08 -3.07 117.38 115.08 3iwk n GLN 132 Ca -0.02 0.48 -0.14 0.00 -0.01 0.00 0.00 57.00 57.32 3iwk n GLN 132 Cb 0.59 -2.04 -0.03 0.00 0.00 0.00 0.00 30.24 28.76 3iwk n GLN 132 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3iwk n LYS 133 N 0.14 -1.04 -1.70 -1.09 5.02 -0.26 -4.94 118.16 114.29 3iwk n LYS 133 Ca 0.09 0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 3iwk n LYS 133 Cb 0.39 -5.02 -0.03 0.00 -0.02 0.00 0.00 35.03 30.35 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 -2.60 3.58 0.48 7.82 0.00 -1.17 -4.63 121.76 125.24 3iwk s ALA 134 Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 3iwk s ALA 134 Cb 0.00 -3.84 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 3iwk s ALA 134 CO 0.00 -1.56 1.13 -1.25 0.00 0.00 0.00 175.76 174.08 3iwk s PRO 135 N 4.43 3.68 -0.22 0.00 0.04 -1.26 -1.38 135.00 140.29 3iwk s PRO 135 Ca 0.87 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 3iwk s PRO 135 Cb -0.42 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3iwk s PRO 135 CO 0.40 -0.59 0.02 0.42 0.04 0.00 0.00 177.00 177.29 3iwk s ILE 136 N -1.65 4.00 0.08 0.56 -1.09 0.35 -4.90 121.20 118.55 3iwk s ILE 136 Ca 0.66 -0.29 -0.31 0.00 -2.23 0.00 0.00 60.65 58.48 3iwk s ILE 136 Cb -0.26 -2.83 -0.07 0.00 -1.58 0.00 0.00 42.46 37.72 3iwk s ILE 136 CO 0.31 0.39 1.30 -0.55 -1.23 0.00 0.00 174.94 175.16 3iwk s SER 137 N 1.30 6.95 0.12 3.58 0.15 -1.26 -4.27 113.70 120.27 3iwk s SER 137 Ca 0.04 2.16 0.10 0.00 0.70 0.00 0.00 55.95 58.95 3iwk s SER 137 Cb -0.15 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 3iwk s SER 137 CO 0.01 -0.57 -0.24 -0.76 1.20 0.00 0.00 173.24 172.88 3iwk s LEU 138 N 1.17 2.31 0.14 3.45 1.02 -1.26 -5.05 118.68 120.46 3iwk s LEU 138 Ca 0.62 -0.72 -0.09 0.00 0.02 0.00 0.00 54.13 53.95 3iwk s LEU 138 Cb -0.33 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.77 3iwk s LEU 138 CO 0.29 0.13 1.42 -0.65 0.02 0.00 0.00 176.35 177.56 3iwk h PRO 139 N 3.97 0.78 -7.00 1.29 0.11 -1.96 -3.45 132.00 125.74 3iwk h PRO 139 Ca -0.49 -0.51 -0.53 0.00 0.11 0.00 0.00 66.00 64.57 3iwk h PRO 139 Cb 1.17 0.07 0.10 0.00 0.11 0.00 0.00 31.00 32.46 3iwk h PRO 139 CO 0.39 1.14 0.60 1.41 -0.21 0.00 0.00 178.00 181.33 3iwk s MET 140 N -4.04 3.57 0.01 1.05 1.75 -1.26 -4.96 119.30 115.41 3iwk s MET 140 Ca -0.10 2.15 0.14 0.00 -1.25 0.00 0.00 55.69 56.63 3iwk s MET 140 Cb 0.10 -2.48 -0.18 0.00 2.84 0.00 0.00 34.83 35.11 3iwk s MET 140 CO 0.88 -0.82 0.77 -0.44 -0.65 0.00 0.00 175.02 174.76 3iwk h ASP 141 N 2.03 0.00 0.31 1.11 3.45 -2.04 -3.39 116.42 117.89 3iwk h ASP 141 Ca -0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.96 3iwk h ASP 141 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3iwk h ASP 141 CO 0.60 0.81 0.00 0.35 -1.57 0.00 0.00 179.24 179.43 3iwk n THR 142 N -3.00 0.04 -4.19 0.35 -2.24 -1.26 -4.82 114.28 99.16 3iwk n THR 142 Ca -0.13 0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 3iwk n THR 142 Cb 0.95 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 3iwk n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iwk s PHE 143 N -2.33 1.16 -0.01 4.78 0.40 -1.26 0.24 117.98 120.95 3iwk s PHE 143 Ca 0.35 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 3iwk s PHE 143 Cb 0.20 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 43.11 3iwk s PHE 143 CO 0.40 0.05 0.00 0.21 0.70 0.00 0.00 175.22 176.58 3iwk s LYS 144 N -2.57 0.14 0.01 0.44 2.20 0.19 -4.89 119.74 115.26 3iwk s LYS 144 Ca 0.05 0.04 0.03 0.00 -0.36 0.00 0.00 55.97 55.73 3iwk s LYS 144 Cb -0.05 -0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.00 3iwk s LYS 144 CO 0.01 -0.07 -0.08 0.45 -0.36 0.00 0.00 175.35 175.30 3iwk s SER 145 N 0.56 0.95 0.24 1.43 0.15 -1.26 0.52 113.70 116.29 3iwk s SER 145 Ca -0.05 -0.28 -0.09 0.00 0.70 0.00 0.00 55.95 56.24 3iwk s SER 145 Cb -0.08 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 3iwk s SER 145 CO -0.01 0.01 0.38 -0.72 1.20 0.00 0.00 173.24 174.10 3iwk s TYR 146 N -0.56 0.65 0.05 3.44 -0.85 -0.38 -0.50 117.35 119.21 3iwk s TYR 146 Ca -0.01 -0.96 0.07 0.00 -0.52 0.00 0.00 57.07 55.65 3iwk s TYR 146 Cb -0.05 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.21 3iwk s TYR 146 CO 0.00 -0.91 -0.14 0.96 -1.52 0.00 0.00 175.55 173.94 3iwk s ILE 147 N -3.97 3.07 -0.06 -3.49 -4.36 -0.48 -0.53 121.20 111.38 3iwk s ILE 147 Ca 0.28 -1.16 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 3iwk s ILE 147 Cb 0.01 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 3iwk s ILE 147 CO 0.11 0.28 -0.14 -0.76 0.24 0.00 0.00 174.94 174.67 3iwk s LEU 148 N -1.67 2.75 -0.42 0.37 1.43 0.13 -1.10 118.68 120.17 3iwk s LEU 148 Ca 0.17 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3iwk s LEU 148 Cb -0.11 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.63 3iwk s LEU 148 CO 0.08 0.32 0.26 -0.54 0.23 0.00 0.00 176.35 176.70 3iwk s LYS 149 N -0.58 2.52 0.12 1.70 1.02 -1.26 0.16 119.74 123.43 3iwk s LYS 149 Ca 0.08 -1.54 0.06 0.00 0.02 0.00 0.00 55.97 54.59 3iwk s LYS 149 Cb -0.11 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.39 3iwk s LYS 149 CO 0.01 -1.00 0.01 -1.21 -0.92 0.00 0.00 175.35 172.24 3iwk s GLU 150 N 1.38 2.51 0.37 1.68 2.02 -0.20 -4.89 118.70 121.56 3iwk s GLU 150 Ca 0.04 -0.93 -0.28 0.00 0.02 0.00 0.00 54.97 53.81 3iwk s GLU 150 Cb -0.23 -2.48 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 3iwk s GLU 150 CO 0.01 0.51 1.52 -0.35 0.02 0.00 0.00 175.26 176.96 3iwk n PRO 151 N 0.27 2.72 0.19 0.39 -0.04 -1.25 0.57 135.00 137.85 3iwk n PRO 151 Ca -0.10 0.95 0.06 0.00 -0.04 0.00 0.00 63.50 64.37 3iwk n PRO 151 Cb 0.53 -2.70 0.56 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.03 1.05 0.00 0.52 6.09 -1.50 -3.42 117.51 123.28 3iwk h ILE 152 Ca -0.50 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 3iwk h ILE 152 Cb 1.24 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.48 3iwk h ILE 152 CO 0.66 0.06 0.00 0.61 -3.07 0.00 0.00 178.15 176.42 3iwk n GLY 153 N -1.41 0.50 3.60 8.18 0.00 -1.26 -4.88 105.19 109.92 3iwk n GLY 153 Ca -0.01 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 5.24 -0.03 1.61 1.01 -1.26 -2.17 120.40 124.80 3iwk s VAL 154 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.42 3iwk s VAL 154 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3iwk s VAL 154 CO 0.00 0.20 -0.13 0.68 0.00 0.00 0.00 175.10 175.85 3iwk s VAL 155 N 1.89 3.16 -0.26 2.92 -7.23 -0.13 0.14 120.40 120.89 3iwk s VAL 155 Ca 0.12 -0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.40 3iwk s VAL 155 Cb -0.16 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3iwk s VAL 155 CO 0.10 0.51 0.12 0.00 -0.31 0.00 0.00 175.10 175.53 3iwk s ALA 156 N -0.82 3.36 -0.31 1.32 0.00 0.08 -1.04 121.76 124.36 3iwk s ALA 156 Ca 0.13 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 3iwk s ALA 156 Cb -0.11 -2.25 0.05 0.00 0.00 0.00 0.00 23.12 20.81 3iwk s ALA 156 CO 0.03 -0.44 0.04 -0.51 0.00 0.00 0.00 175.76 174.87 3iwk s LEU 157 N 1.54 4.05 -0.19 0.00 1.02 -0.09 -0.80 118.68 124.22 3iwk s LEU 157 Ca 0.06 -1.22 -0.02 0.00 0.02 0.00 0.00 54.13 52.98 3iwk s LEU 157 Cb -0.15 -1.77 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 3iwk s LEU 157 CO 0.07 -0.28 -0.10 -0.63 0.02 0.00 0.00 176.35 175.42 3iwk s ILE 158 N 1.31 3.00 0.07 -0.59 1.01 -0.65 -0.08 121.20 125.27 3iwk s ILE 158 Ca -0.04 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3iwk s ILE 158 Cb -0.20 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3iwk s ILE 158 CO 0.00 0.47 -0.16 0.42 0.00 0.00 0.00 174.94 175.67 3iwk s THR 159 N 1.23 1.30 0.76 2.92 -4.23 -1.01 -1.95 115.64 114.66 3iwk s THR 159 Ca 0.03 -1.25 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 3iwk s THR 159 Cb -0.14 -1.19 0.11 0.00 1.34 0.00 0.00 72.50 72.61 3iwk s THR 159 CO -0.04 -0.08 1.07 -2.16 -0.54 0.00 0.00 174.62 172.88 3iwk s PRO 160 N -1.53 1.71 0.00 3.99 0.04 -1.22 -2.63 135.00 135.35 3iwk s PRO 160 Ca 0.02 -0.53 0.23 0.00 0.04 0.00 0.00 61.00 60.76 3iwk s PRO 160 Cb -0.09 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.38 3iwk s PRO 160 CO 0.02 -1.55 1.11 -2.67 0.04 0.00 0.00 177.00 173.96 3iwk n TRP 161 N -3.08 0.00 -0.08 0.56 4.27 -1.26 -4.15 117.44 113.70 3iwk n TRP 161 Ca 0.11 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.59 3iwk n TRP 161 Cb 0.60 -0.09 -0.03 0.00 -1.36 0.00 0.00 31.31 30.43 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 0.17 0.96 -2.43 -0.67 -1.07 -1.95 -3.32 115.58 107.26 3iwk h ASN 162 Ca 0.00 -0.49 -0.60 0.00 0.07 0.00 0.00 56.30 55.28 3iwk h ASN 162 Cb 0.51 -0.27 -0.41 0.00 -2.07 0.00 0.00 38.32 36.08 3iwk h ASN 162 CO 0.00 1.29 -0.75 -1.22 0.07 0.00 0.00 177.43 176.81 3iwk n TYR 163 N -4.02 1.98 0.10 4.14 4.01 -1.26 -5.00 117.16 117.11 3iwk n TYR 163 Ca -0.04 -3.94 -0.12 0.00 -0.16 0.00 0.00 57.90 53.64 3iwk n TYR 163 Cb 0.61 -0.40 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 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 4.71 -0.41 -0.06 -0.72 0.11 -1.72 0.13 132.00 134.04 3iwk h PRO 164 Ca 0.17 0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.14 3iwk h PRO 164 Cb 0.77 0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.98 3iwk h PRO 164 CO 0.65 -0.27 -0.61 0.35 -0.21 0.00 0.00 178.00 177.91 3iwk h PHE 165 N -0.42 0.74 -0.04 0.65 3.57 -1.91 -2.99 116.94 116.53 3iwk h PHE 165 Ca 0.03 -0.36 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 3iwk h PHE 165 Cb 0.46 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3iwk h PHE 165 CO -0.23 1.16 0.01 1.25 -2.23 0.00 0.00 178.31 178.27 3iwk h LEU 166 N 0.11 0.05 -1.09 0.59 5.85 -1.83 -0.63 115.31 118.36 3iwk h LEU 166 Ca -0.06 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.48 3iwk h LEU 166 Cb 1.28 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 3iwk h LEU 166 CO 0.12 0.24 0.62 0.24 -0.34 0.00 0.00 178.44 179.32 3iwk h MET 167 N -0.14 1.21 -0.11 1.25 2.86 -0.87 0.17 114.93 119.31 3iwk h MET 167 Ca 0.01 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3iwk h MET 167 Cb 0.20 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3iwk h MET 167 CO -0.00 0.80 0.07 0.00 1.06 0.00 0.00 176.91 178.84 3iwk h ALA 168 N 1.43 0.14 -0.75 6.32 0.00 -1.36 -2.99 119.26 122.05 3iwk h ALA 168 Ca 0.35 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3iwk h ALA 168 Cb -0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3iwk h ALA 168 CO -0.08 -0.38 0.31 1.15 0.00 0.00 0.00 179.25 180.25 3iwk h THR 169 N 0.14 1.25 -0.71 0.00 2.02 -0.42 0.18 112.91 115.38 3iwk h THR 169 Ca 0.04 -0.77 0.20 0.00 0.77 0.00 0.00 66.41 66.66 3iwk h THR 169 Cb -0.01 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 3iwk h THR 169 CO -0.02 0.31 0.54 -0.50 0.37 0.00 0.00 175.52 176.23 3iwk h TRP 170 N 1.08 0.00 0.00 3.16 4.06 -0.54 -1.62 115.95 122.09 3iwk h TRP 170 Ca 0.25 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.81 3iwk h TRP 170 Cb 0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.28 3iwk h TRP 170 CO 0.02 0.00 -2.43 1.63 -3.56 0.00 0.00 178.44 174.10 3iwk n LYS 171 N -4.17 0.60 0.22 0.49 5.02 -0.70 -4.53 118.16 115.08 3iwk n LYS 171 Ca 0.14 0.17 -0.15 0.00 -2.02 0.00 0.00 58.31 56.45 3iwk n LYS 171 Cb 0.81 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 34.26 3iwk n LYS 171 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3iwk h ILE 172 N -0.26 0.61 -0.22 -0.18 2.04 -0.40 -2.17 117.51 116.94 3iwk h ILE 172 Ca -0.59 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3iwk h ILE 172 Cb 1.78 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.54 3iwk h ILE 172 CO -0.17 0.05 -0.34 0.00 0.00 0.00 0.00 178.15 177.69 3iwk h ALA 173 N -0.16 -0.35 0.00 1.87 0.00 -1.54 0.96 119.26 120.04 3iwk h ALA 173 Ca -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3iwk h ALA 173 Cb 0.49 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3iwk h ALA 173 CO 0.09 -0.80 -0.56 -1.00 0.00 0.00 0.00 179.25 176.98 3iwk h PRO 174 N -0.37 0.00 -0.11 0.00 0.13 -1.78 -0.80 132.00 129.08 3iwk h PRO 174 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3iwk h PRO 174 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 3iwk h PRO 174 CO -0.42 0.56 0.06 0.00 -0.23 0.00 0.00 178.00 177.97 3iwk h ALA 175 N 1.44 0.14 -0.19 -0.56 0.00 -0.71 -0.34 119.26 119.05 3iwk h ALA 175 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 175 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3iwk h ALA 175 CO 0.07 -0.32 0.02 -0.07 0.00 0.00 0.00 179.25 178.95 3iwk h LEU 176 N 0.09 0.31 -1.28 0.00 3.38 -0.77 -1.18 115.31 115.86 3iwk h LEU 176 Ca 0.04 -0.28 0.15 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 176 Cb 0.06 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3iwk h LEU 176 CO -0.01 0.52 0.58 0.00 0.09 0.00 0.00 178.44 179.62 3iwk h ALA 177 N 0.81 1.84 0.00 1.53 0.00 -1.07 0.15 119.26 122.52 3iwk h ALA 177 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 177 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iwk h ALA 177 CO 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.17 3iwk h ALA 178 N 1.60 1.00 0.00 0.00 0.00 -0.81 -3.44 119.26 117.61 3iwk h ALA 178 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3iwk h ALA 178 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iwk h ALA 178 CO -0.21 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.45 3iwk n GLY 179 N 0.41 0.85 3.88 0.00 0.00 0.54 -3.78 105.19 107.08 3iwk n GLY 179 Ca 0.03 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.13 3.51 0.12 0.00 0.00 -0.92 -4.49 121.76 116.85 3iwk s ALA 181 Ca 0.54 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.84 3iwk s ALA 181 Cb -0.11 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 3iwk s ALA 181 CO 0.52 0.59 -0.20 0.00 0.00 0.00 0.00 175.76 176.67 3iwk s ALA 182 N -0.92 1.83 -0.18 0.00 0.00 0.10 -0.95 121.76 121.64 3iwk s ALA 182 Ca 0.14 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3iwk s ALA 182 Cb -0.12 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.82 3iwk s ALA 182 CO 0.03 0.32 -0.11 0.42 0.00 0.00 0.00 175.76 176.43 3iwk s ILE 183 N -1.39 1.58 -0.18 0.00 1.09 -0.20 -1.13 121.20 120.96 3iwk s ILE 183 Ca 0.08 -0.89 -0.15 0.00 -1.10 0.00 0.00 60.65 58.60 3iwk s ILE 183 Cb -0.09 -1.62 -0.04 0.00 -1.06 0.00 0.00 42.46 39.65 3iwk s ILE 183 CO 0.05 0.23 0.37 -0.22 -0.10 0.00 0.00 174.94 175.27 3iwk s LEU 184 N 1.44 4.19 -0.43 2.97 2.96 0.11 -0.91 118.68 129.00 3iwk s LEU 184 Ca 0.00 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3iwk s LEU 184 Cb -0.15 -2.48 0.12 0.00 0.50 0.00 0.00 46.19 44.18 3iwk s LEU 184 CO -0.09 -0.02 0.21 -0.75 -1.32 0.00 0.00 176.35 174.39 3iwk s LYS 185 N 1.01 1.98 0.74 1.98 2.36 0.89 -0.69 119.74 128.01 3iwk s LYS 185 Ca 0.18 -1.97 -0.11 0.00 -2.55 0.00 0.00 55.97 51.52 3iwk s LYS 185 Cb -0.14 -3.52 0.04 0.00 -1.05 0.00 0.00 37.83 33.15 3iwk s LYS 185 CO 0.07 -1.06 1.08 -2.14 1.55 0.00 0.00 175.35 174.85 3iwk s PRO 186 N 0.86 2.56 0.34 4.03 0.02 -1.26 -2.42 135.00 139.14 3iwk s PRO 186 Ca 0.10 0.68 -0.29 0.00 0.02 0.00 0.00 61.00 61.52 3iwk s PRO 186 Cb -0.22 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 3iwk s PRO 186 CO -0.05 -1.30 1.38 0.45 -0.33 0.00 0.00 177.00 177.16 3iwk s SER 187 N -4.00 6.62 0.49 2.53 0.15 -1.08 -4.56 113.70 113.85 3iwk s SER 187 Ca 0.59 2.81 0.29 0.00 0.70 0.00 0.00 55.95 60.34 3iwk s SER 187 Cb -0.13 -2.65 1.58 0.00 -1.71 0.00 0.00 66.02 63.10 3iwk s SER 187 CO 0.54 -0.67 1.87 1.05 1.20 0.00 0.00 173.24 177.24 3iwk h GLU 188 N 3.44 0.00 0.00 5.44 9.09 -1.93 -2.20 114.58 128.42 3iwk h GLU 188 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3iwk h GLU 188 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3iwk h GLU 188 CO 0.66 0.00 -0.64 -0.07 0.05 0.00 0.00 179.01 179.02 3iwk h LEU 189 N 0.00 0.00 -5.89 3.06 3.38 -1.93 -3.43 115.31 110.51 3iwk h LEU 189 Ca 0.00 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3iwk h LEU 189 Cb 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.75 3iwk h LEU 189 CO 0.00 0.04 -0.52 0.00 0.09 0.00 0.00 178.44 178.04 3iwk s ALA 190 N -3.25 -1.81 -0.38 1.53 0.00 -0.83 -4.72 121.76 112.30 3iwk s ALA 190 Ca 0.04 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.81 3iwk s ALA 190 Cb 0.10 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 3iwk s ALA 190 CO 0.73 -2.20 0.38 0.43 0.00 0.00 0.00 175.76 175.10 3iwk n SER 191 N 4.04 0.70 -0.02 0.00 7.64 -1.23 -4.39 113.62 120.35 3iwk n SER 191 Ca 0.13 -0.85 -0.11 0.00 1.01 0.00 0.00 58.87 59.05 3iwk n SER 191 Cb 0.54 0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 64.28 3iwk n SER 191 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3iwk h VAL 192 N 0.40 1.13 -0.23 0.44 -1.51 -1.94 -0.79 116.25 113.74 3iwk h VAL 192 Ca 0.00 -0.37 -0.14 0.00 -1.23 0.00 0.00 66.70 64.96 3iwk h VAL 192 Cb 0.15 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 3iwk h VAL 192 CO 0.00 0.11 -0.45 0.71 -1.23 0.00 0.00 177.57 176.71 3iwk h THR 193 N 0.07 1.31 -0.81 7.19 1.35 -1.90 -1.10 112.91 119.01 3iwk h THR 193 Ca 0.04 -1.65 0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3iwk h THR 193 Cb 0.13 1.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 3iwk h THR 193 CO -0.00 0.52 0.54 0.00 -0.25 0.00 0.00 175.52 176.32 3iwk h LEU 195 N 1.06 0.68 -2.02 0.00 3.38 -0.72 -2.95 115.31 114.74 3iwk h LEU 195 Ca 0.31 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3iwk h LEU 195 Cb -0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3iwk h LEU 195 CO -0.08 0.80 0.21 -0.33 0.09 0.00 0.00 178.44 179.13 3iwk h GLU 196 N 0.54 0.00 -0.29 1.13 4.39 -0.49 0.23 114.58 120.09 3iwk h GLU 196 Ca 0.12 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.86 3iwk h GLU 196 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3iwk h GLU 196 CO 0.02 0.00 0.20 1.25 -1.16 0.00 0.00 179.01 179.31 3iwk h LEU 197 N 0.00 0.17 -0.12 1.33 5.85 -1.15 -2.63 115.31 118.77 3iwk h LEU 197 Ca 0.13 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3iwk h LEU 197 Cb 0.54 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3iwk h LEU 197 CO -0.00 0.12 0.01 1.23 -0.34 0.00 0.00 178.44 179.45 3iwk h GLY 198 N 0.20 0.12 0.84 3.75 0.00 -0.59 -1.56 103.07 105.83 3iwk h GLY 198 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3iwk h GLY 198 CO -0.02 -0.01 0.29 -2.09 0.00 0.00 0.00 176.54 174.71 3iwk h GLU 199 N 0.05 0.56 -0.69 4.80 4.57 -1.54 -2.03 114.58 120.30 3iwk h GLU 199 Ca 0.05 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 3iwk h GLU 199 Cb 0.06 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.46 3iwk h GLU 199 CO -0.09 0.37 0.37 0.82 -1.18 0.00 0.00 179.01 179.31 3iwk h ILE 200 N 0.58 0.92 -0.79 2.32 2.04 -1.21 0.27 117.51 121.64 3iwk h ILE 200 Ca 0.21 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3iwk h ILE 200 Cb 0.05 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 3iwk h ILE 200 CO -0.11 0.12 0.52 0.00 0.00 0.00 0.00 178.15 178.68 3iwk h LYS 202 N 1.07 -0.05 -0.37 0.00 3.64 -0.51 0.50 116.57 120.85 3iwk h LYS 202 Ca 0.29 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 3iwk h LYS 202 Cb -0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3iwk h LYS 202 CO -0.06 0.36 0.25 0.93 -2.27 0.00 0.00 179.45 178.65 3iwk h GLU 203 N -0.47 0.36 0.00 1.90 5.08 -0.28 -1.83 114.58 119.34 3iwk h GLU 203 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3iwk h GLU 203 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3iwk h GLU 203 CO 0.01 0.24 -0.55 0.28 -1.00 0.00 0.00 179.01 177.99 3iwk n VAL 204 N -4.48 0.28 -2.62 3.13 0.31 0.32 -4.97 118.33 110.29 3iwk n VAL 204 Ca 0.04 -0.21 -0.09 0.00 -0.01 0.00 0.00 64.34 64.07 3iwk n VAL 204 Cb 0.16 -0.09 0.02 0.00 -0.91 0.00 0.00 33.84 33.02 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 1.38 0.24 3.73 2.92 0.00 -0.02 -4.99 105.19 108.44 3iwk n GLY 205 Ca 0.04 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3iwk n GLY 205 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwk s LEU 206 N -3.02 4.36 0.18 0.99 2.96 -0.13 -4.88 118.68 119.14 3iwk s LEU 206 Ca 0.14 2.82 -0.33 0.00 -0.22 0.00 0.00 54.13 56.54 3iwk s LEU 206 Cb -0.06 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 3iwk s LEU 206 CO 0.17 -0.89 1.23 -2.65 -1.32 0.00 0.00 176.35 172.89 3iwk n PRO 207 N 3.19 1.33 -1.68 0.98 -0.02 -1.26 -4.81 135.00 132.72 3iwk n PRO 207 Ca 0.12 0.47 -0.44 0.00 -2.02 0.00 0.00 63.50 61.64 3iwk n PRO 207 Cb 0.37 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.89 2.09 0.00 -0.52 1.85 -1.26 -2.52 116.66 118.19 3iwk n ARG 208 Ca 0.15 0.74 0.00 0.00 -1.00 0.00 0.00 57.85 57.74 3iwk n ARG 208 Cb 0.25 -2.37 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 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 1.60 2.13 0.26 2.89 0.00 -1.26 -4.60 105.19 106.21 3iwk n GLY 209 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 1.28 -3.24 1.61 2.07 -1.77 -3.30 116.25 112.90 3iwk h VAL 210 Ca 0.00 -1.51 -0.53 0.00 0.82 0.00 0.00 66.70 65.48 3iwk h VAL 210 Cb 0.00 1.36 -0.37 0.00 -1.52 0.00 0.00 31.29 30.76 3iwk h VAL 210 CO 0.00 0.50 -0.79 -0.22 0.02 0.00 0.00 177.57 177.07 3iwk s LEU 211 N -8.82 1.29 -0.01 2.57 2.96 -1.26 0.02 118.68 115.43 3iwk s LEU 211 Ca -0.10 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3iwk s LEU 211 Cb 0.12 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 3iwk s LEU 211 CO 0.86 -0.15 -0.23 0.20 -1.32 0.00 0.00 176.35 175.71 3iwk s ASN 212 N 1.71 3.34 -0.17 3.68 -0.87 -0.29 -4.67 114.94 117.67 3iwk s ASN 212 Ca 0.03 -0.42 0.01 0.00 -1.57 0.00 0.00 52.86 50.91 3iwk s ASN 212 Cb -0.14 -0.47 0.02 0.00 -0.02 0.00 0.00 41.25 40.65 3iwk s ASN 212 CO -0.08 0.31 -0.16 -0.63 -2.57 0.00 0.00 177.10 173.98 3iwk s ILE 213 N -0.68 1.76 -0.26 0.60 1.01 0.45 0.08 121.20 124.15 3iwk s ILE 213 Ca 0.11 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.98 3iwk s ILE 213 Cb -0.10 -1.65 0.07 0.00 0.01 0.00 0.00 42.46 40.79 3iwk s ILE 213 CO 0.00 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.66 3iwk s VAL 214 N 1.40 1.80 0.33 2.92 1.01 0.13 -1.99 120.40 126.00 3iwk s VAL 214 Ca 0.04 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.49 3iwk s VAL 214 Cb -0.13 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3iwk s VAL 214 CO -0.11 -0.19 0.53 0.42 0.00 0.00 0.00 175.10 175.75 3iwk s THR 215 N 1.24 5.11 -5.00 3.92 -4.23 -1.26 -4.07 115.64 111.36 3iwk s THR 215 Ca -0.03 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3iwk s THR 215 Cb -0.19 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.80 3iwk s THR 215 CO -0.07 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 3iwk n GLY 216 N -1.66 -0.79 3.77 3.99 0.00 -1.23 -1.25 105.19 108.02 3iwk n GLY 216 Ca -0.05 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 4.31 0.23 0.99 1.02 -1.26 -3.99 118.68 119.98 3iwk s LEU 217 Ca 0.00 2.54 -0.07 0.00 0.02 0.00 0.00 54.13 56.62 3iwk s LEU 217 Cb 0.00 -3.83 0.28 0.00 0.02 0.00 0.00 46.19 42.66 3iwk s LEU 217 CO 0.00 -0.63 1.87 1.23 0.02 0.00 0.00 176.35 178.84 3iwk h GLY 218 N 3.00 1.25 1.59 -3.19 0.00 -1.96 -0.03 103.07 103.74 3iwk h GLY 218 Ca -0.49 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.44 3iwk h GLY 218 CO 0.64 0.32 -0.00 -2.39 0.00 0.00 0.00 176.54 175.11 3iwk n HIS 219 N -4.58 0.00 0.00 5.60 1.44 -1.26 -1.11 115.22 115.31 3iwk n HIS 219 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3iwk n HIS 219 Cb 0.12 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 29.93 3iwk n HIS 219 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3iwk n GLU 220 N -1.30 0.00 -0.04 -1.40 1.02 -0.79 -4.53 120.64 113.61 3iwk n GLU 220 Ca 0.14 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.17 3iwk n GLU 220 Cb 0.25 -0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.56 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 -1.33 0.20 -0.21 0.62 0.00 -1.09 -1.83 119.26 115.62 3iwk h ALA 221 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 221 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iwk h ALA 221 CO 0.00 -0.21 0.03 0.78 0.00 0.00 0.00 179.25 179.84 3iwk h GLY 222 N 0.09 0.22 0.95 0.00 0.00 -1.32 -1.29 103.07 101.71 3iwk h GLY 222 Ca 0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 3iwk h GLY 222 CO -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 176.54 176.49 3iwk h ALA 223 N 1.16 0.53 -0.65 3.60 0.00 -1.14 -1.73 119.26 121.03 3iwk h ALA 223 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3iwk h ALA 223 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3iwk h ALA 223 CO -0.14 0.33 0.28 0.77 0.00 0.00 0.00 179.25 180.49 3iwk h SER 224 N 0.52 0.85 -0.12 0.00 0.02 -1.23 -1.47 113.55 112.12 3iwk h SER 224 Ca 0.11 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3iwk h SER 224 Cb 0.52 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 3iwk h SER 224 CO 0.03 0.75 -0.03 0.25 -1.14 0.00 0.00 176.83 176.68 3iwk h LEU 225 N 0.93 0.24 -1.30 5.07 5.85 -1.11 -2.41 115.31 122.57 3iwk h LEU 225 Ca 0.22 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 3iwk h LEU 225 Cb 0.14 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3iwk h LEU 225 CO -0.02 0.55 -0.10 0.00 -0.34 0.00 0.00 178.44 178.52 3iwk h ALA 226 N 0.70 1.43 -0.01 1.25 0.00 -1.15 -2.84 119.26 118.64 3iwk h ALA 226 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iwk h ALA 226 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iwk h ALA 226 CO 0.01 0.40 -0.25 -1.13 0.00 0.00 0.00 179.25 178.28 3iwk n SER 227 N -4.26 0.88 -4.70 0.00 3.41 -0.57 -4.58 113.62 103.80 3iwk n SER 227 Ca 0.00 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.42 3iwk n SER 227 Cb 0.27 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iwk s HIS 228 N -2.55 2.79 -0.21 7.33 5.04 -0.91 -4.87 115.29 121.91 3iwk s HIS 228 Ca 0.24 0.51 0.25 0.00 -1.54 0.00 0.00 55.06 54.51 3iwk s HIS 228 Cb 0.19 -3.93 1.22 0.00 0.04 0.00 0.00 32.58 30.11 3iwk s HIS 228 CO 0.53 -3.56 1.76 -1.00 -2.34 0.00 0.00 174.74 170.13 3iwk h PRO 229 N 7.48 0.00 -0.01 2.88 0.13 -1.91 -2.92 132.00 137.65 3iwk h PRO 229 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3iwk h PRO 229 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3iwk h PRO 229 CO 0.92 0.00 -0.46 -0.25 -0.23 0.00 0.00 178.00 177.98 3iwk n ASP 230 N -2.37 1.96 -4.71 1.44 8.00 -1.26 -4.88 116.55 114.73 3iwk n ASP 230 Ca -0.00 -1.48 -0.42 0.00 0.71 0.00 0.00 54.79 53.60 3iwk n ASP 230 Cb 0.12 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -2.38 3.67 -0.12 2.53 1.01 -1.10 -4.73 120.40 119.28 3iwk s VAL 231 Ca 0.17 1.19 0.16 0.00 0.00 0.00 0.00 61.98 63.51 3iwk s VAL 231 Cb 0.17 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.66 3iwk s VAL 231 CO 0.54 0.09 0.88 0.44 0.00 0.00 0.00 175.10 177.05 3iwk h ASP 232 N 6.83 0.00 -4.38 3.32 3.32 -0.65 -3.48 116.42 121.39 3iwk h ASP 232 Ca -0.42 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.57 3iwk h ASP 232 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3iwk h ASP 232 CO 0.84 0.60 0.06 -0.75 -1.72 0.00 0.00 179.24 178.27 3iwk s LYS 233 N -2.91 0.84 -0.18 3.56 2.20 -1.15 -4.16 119.74 117.94 3iwk s LYS 233 Ca -0.02 0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3iwk s LYS 233 Cb 0.09 0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.80 3iwk s LYS 233 CO 0.81 -0.17 -0.11 0.42 -0.36 0.00 0.00 175.35 175.94 3iwk s ILE 234 N -0.27 2.96 -0.27 5.43 1.01 -0.96 -0.74 121.20 128.36 3iwk s ILE 234 Ca -0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 3iwk s ILE 234 Cb -0.03 -2.29 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 3iwk s ILE 234 CO 0.04 0.48 0.04 -0.55 0.00 0.00 0.00 174.94 174.95 3iwk s SER 235 N 1.07 4.89 0.01 3.58 0.15 0.02 -1.53 113.70 121.90 3iwk s SER 235 Ca -0.00 -0.56 0.08 0.00 0.70 0.00 0.00 55.95 56.16 3iwk s SER 235 Cb -0.15 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 3iwk s SER 235 CO -0.02 -0.12 -0.24 0.12 1.20 0.00 0.00 173.24 174.17 3iwk s PHE 236 N 1.50 2.13 -0.05 3.44 5.36 -0.26 -1.63 117.98 128.47 3iwk s PHE 236 Ca 0.04 -0.40 -0.00 0.00 -0.96 0.00 0.00 56.93 55.60 3iwk s PHE 236 Cb -0.16 -1.32 0.03 0.00 -0.34 0.00 0.00 43.02 41.23 3iwk s PHE 236 CO 0.01 0.04 -0.00 0.99 -1.46 0.00 0.00 175.22 174.80 3iwk s THR 237 N -0.68 0.30 -4.59 0.12 2.01 -0.82 -1.22 115.64 110.75 3iwk s THR 237 Ca 0.10 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3iwk s THR 237 Cb -0.09 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.00 3iwk s THR 237 CO 0.01 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3iwk n GLY 238 N 4.64 -0.51 3.74 4.40 0.00 -0.64 -3.41 105.19 113.42 3iwk n GLY 238 Ca -0.16 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3iwk n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwk s SER 239 N -4.00 4.58 0.17 1.61 1.04 -1.26 -3.53 113.70 112.31 3iwk s SER 239 Ca 0.00 2.16 -0.14 0.00 0.48 0.00 0.00 55.95 58.45 3iwk s SER 239 Cb 0.00 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.61 3iwk s SER 239 CO 0.00 -1.99 1.82 0.28 0.98 0.00 0.00 173.24 174.32 3iwk h SER 240 N -0.24 0.62 -0.47 7.02 0.02 -1.94 -1.53 113.55 117.04 3iwk h SER 240 Ca -0.47 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3iwk h SER 240 Cb 1.27 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 3iwk h SER 240 CO 0.51 0.48 0.19 0.00 -1.14 0.00 0.00 176.83 176.88 3iwk h ALA 241 N 1.17 0.61 -0.43 3.77 0.00 -1.98 -0.81 119.26 121.59 3iwk h ALA 241 Ca 0.19 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3iwk h ALA 241 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iwk h ALA 241 CO -0.04 0.21 -0.28 1.15 0.00 0.00 0.00 179.25 180.30 3iwk h THR 242 N 0.62 1.27 -0.96 0.00 2.02 -1.94 -2.13 112.91 111.79 3iwk h THR 242 Ca 0.16 -1.44 0.08 0.00 0.77 0.00 0.00 66.41 65.98 3iwk h THR 242 Cb 0.18 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 3iwk h THR 242 CO -0.01 0.49 0.62 1.23 0.37 0.00 0.00 175.52 178.22 3iwk h GLY 243 N 0.77 1.47 1.07 2.16 0.00 -1.11 0.11 103.07 107.53 3iwk h GLY 243 Ca 0.09 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3iwk h GLY 243 CO 0.08 0.27 0.10 0.23 0.00 0.00 0.00 176.54 177.21 3iwk h SER 244 N 1.06 1.06 -0.12 0.19 0.87 -0.99 -1.55 113.55 114.06 3iwk h SER 244 Ca 0.43 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.60 3iwk h SER 244 Cb 0.29 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 3iwk h SER 244 CO -0.19 1.06 -0.36 0.11 -0.53 0.00 0.00 176.83 176.92 3iwk h LYS 245 N 1.02 0.63 -0.39 2.24 1.57 -0.64 -1.67 116.57 119.33 3iwk h LYS 245 Ca 0.20 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 3iwk h LYS 245 Cb 0.46 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3iwk h LYS 245 CO 0.02 0.90 -0.24 0.82 -0.57 0.00 0.00 179.45 180.37 3iwk h ILE 246 N 0.53 1.28 -0.55 1.86 2.04 -0.69 -1.24 117.51 120.74 3iwk h ILE 246 Ca 0.05 -1.40 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 3iwk h ILE 246 Cb 0.86 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3iwk h ILE 246 CO 0.07 0.47 -0.01 -0.03 0.00 0.00 0.00 178.15 178.66 3iwk h MET 247 N 0.67 0.95 -0.84 2.37 4.05 -1.25 0.58 114.93 121.46 3iwk h MET 247 Ca 0.08 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3iwk h MET 247 Cb 0.81 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.48 3iwk h MET 247 CO 0.07 0.94 0.53 1.15 0.23 0.00 0.00 176.91 179.83 3iwk h THR 248 N 0.87 1.22 0.09 -0.77 2.02 -1.16 -0.45 112.91 114.74 3iwk h THR 248 Ca 0.16 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3iwk h THR 248 Cb 0.52 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3iwk h THR 248 CO 0.03 0.22 -0.04 0.74 0.37 0.00 0.00 175.52 176.84 3iwk h THR 249 N 1.14 1.09 -0.91 3.16 2.02 -0.90 -2.96 112.91 115.55 3iwk h THR 249 Ca 0.30 -0.65 0.18 0.00 0.77 0.00 0.00 66.41 67.01 3iwk h THR 249 Cb -0.09 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 67.75 3iwk h THR 249 CO -0.06 0.16 0.59 0.00 0.37 0.00 0.00 175.52 176.58 3iwk h ALA 250 N 0.46 1.97 0.00 6.16 0.00 -0.76 -1.46 119.26 125.63 3iwk h ALA 250 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 250 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iwk h ALA 250 CO 0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 179.25 178.92 3iwk h ALA 251 N 1.61 1.53 -0.82 0.00 0.00 -0.91 0.31 119.26 120.98 3iwk h ALA 251 Ca 0.47 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.39 3iwk h ALA 251 Cb 0.93 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3iwk h ALA 251 CO -0.22 0.13 0.53 1.96 0.00 0.00 0.00 179.25 181.65 3iwk h GLN 252 N 0.00 0.74 0.00 0.00 1.08 -1.23 -2.83 115.11 112.87 3iwk h GLN 252 Ca -0.00 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3iwk h GLN 252 Cb 0.22 -0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 27.40 3iwk h GLN 252 CO 0.01 0.49 -0.49 1.28 -0.95 0.00 0.00 178.83 179.17 3iwk n LEU 253 N -4.51 1.80 -4.00 1.46 4.77 -0.93 -5.01 117.00 110.57 3iwk n LEU 253 Ca 0.14 -2.81 -0.29 0.00 -0.03 0.00 0.00 56.01 53.02 3iwk n LEU 253 Cb 0.32 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3iwk n LEU 253 CO 0.32 0.84 -0.11 0.52 -1.33 0.00 0.00 177.39 177.63 3iwk n VAL 254 N -0.66 -2.45 -3.05 4.08 0.31 -0.12 -4.94 118.33 111.50 3iwk n VAL 254 Ca 0.12 -0.29 -0.39 0.00 -0.01 0.00 0.00 64.34 63.77 3iwk n VAL 254 Cb 0.78 -2.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.16 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 -6.62 4.45 0.58 5.55 1.02 -0.09 -4.99 119.74 119.64 3iwk s LYS 255 Ca 0.31 1.00 -0.18 0.00 0.02 0.00 0.00 55.97 57.12 3iwk s LYS 255 Cb -0.16 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 3iwk s LYS 255 CO 0.88 0.42 1.15 -1.25 -0.92 0.00 0.00 175.35 175.64 3iwk s PRO 256 N -0.51 3.10 -0.01 -1.68 0.04 -1.26 -4.64 135.00 130.04 3iwk s PRO 256 Ca 0.35 1.65 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 3iwk s PRO 256 Cb -0.21 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3iwk s PRO 256 CO 0.23 -1.06 0.10 0.54 0.04 0.00 0.00 177.00 176.84 3iwk s VAL 257 N -1.82 0.06 -0.04 -0.36 0.11 -1.26 -2.25 120.40 114.83 3iwk s VAL 257 Ca 0.73 -0.50 0.05 0.00 -2.93 0.00 0.00 61.98 59.33 3iwk s VAL 257 Cb -0.25 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3iwk s VAL 257 CO 0.32 -0.28 -0.18 -0.94 -3.33 0.00 0.00 175.10 170.69 3iwk s SER 258 N -0.91 2.25 -0.12 3.54 1.04 -0.58 -4.92 113.70 114.00 3iwk s SER 258 Ca -0.10 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 55.96 3iwk s SER 258 Cb -0.06 -0.61 0.03 0.00 0.10 0.00 0.00 66.02 65.47 3iwk s SER 258 CO 0.01 0.16 -0.08 -0.76 0.98 0.00 0.00 173.24 173.55 3iwk s LEU 259 N 0.00 1.28 -0.36 2.42 1.43 -0.59 -1.10 118.68 121.77 3iwk s LEU 259 Ca -0.03 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 3iwk s LEU 259 Cb -0.12 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.27 3iwk s LEU 259 CO 0.02 -0.12 0.14 -0.70 0.23 0.00 0.00 176.35 175.93 3iwk s GLU 260 N 1.68 2.63 0.00 1.70 2.12 -0.36 -1.50 118.70 124.97 3iwk s GLU 260 Ca 0.04 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.16 3iwk s GLU 260 Cb -0.13 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3iwk s GLU 260 CO -0.08 -0.72 0.00 1.28 -0.54 0.00 0.00 175.26 175.19 3iwk n LEU 261 N 4.85 0.00 0.00 2.70 4.77 -0.30 -1.62 117.00 127.40 3iwk n LEU 261 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3iwk n LEU 261 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3iwk n LEU 261 CO 0.33 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3iwk n GLY 262 N 5.00 -1.88 3.63 -0.72 0.00 -1.23 -4.86 105.19 105.13 3iwk n GLY 262 Ca 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.78 -0.35 -0.46 -0.02 0.00 -1.16 -4.53 107.32 100.02 3iwk s GLY 263 Ca 0.00 0.83 0.07 0.00 0.00 0.00 0.00 44.72 45.63 3iwk s GLY 263 CO 0.00 0.22 0.57 1.17 0.00 0.00 0.00 173.10 175.05 3iwk n LYS 264 N -0.36 1.15 -2.48 2.90 3.00 -1.26 -4.55 118.16 116.56 3iwk n LYS 264 Ca -0.06 -3.60 -0.41 0.00 -0.00 0.00 0.00 58.31 54.24 3iwk n LYS 264 Cb 0.61 -1.52 -0.04 0.00 0.00 0.00 0.00 35.03 34.08 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 -1.43 7.25 0.22 3.14 0.01 -1.18 -4.82 113.70 116.88 3iwk s SER 265 Ca 0.36 2.21 -0.11 0.00 1.31 0.00 0.00 55.95 59.72 3iwk s SER 265 Cb 0.15 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.69 3iwk s SER 265 CO -0.09 -0.19 0.56 -2.16 0.41 0.00 0.00 173.24 171.77 3iwk s PRO 266 N -0.99 3.85 -0.22 12.44 0.04 -1.26 -2.10 135.00 146.75 3iwk s PRO 266 Ca 0.47 0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.86 3iwk s PRO 266 Cb -0.31 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.58 3iwk s PRO 266 CO 0.39 0.34 -0.13 -1.50 0.04 0.00 0.00 177.00 176.14 3iwk s ILE 267 N -1.75 1.99 -0.25 0.56 2.07 0.39 -0.68 121.20 123.53 3iwk s ILE 267 Ca 0.46 -1.28 -0.15 0.00 -1.41 0.00 0.00 60.65 58.26 3iwk s ILE 267 Cb -0.12 -2.01 -0.04 0.00 0.13 0.00 0.00 42.46 40.42 3iwk s ILE 267 CO 0.21 0.17 0.38 -0.69 -1.91 0.00 0.00 174.94 173.09 3iwk s VAL 268 N 1.24 5.18 -0.24 4.00 1.01 0.77 -0.80 120.40 131.56 3iwk s VAL 268 Ca -0.03 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3iwk s VAL 268 Cb -0.17 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3iwk s VAL 268 CO -0.08 0.19 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 3iwk s VAL 269 N 1.82 2.51 0.63 2.92 1.01 0.09 0.08 120.40 129.44 3iwk s VAL 269 Ca 0.16 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 3iwk s VAL 269 Cb -0.15 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.94 3iwk s VAL 269 CO 0.09 0.16 0.93 -0.36 0.00 0.00 0.00 175.10 175.92 3iwk s PHE 270 N 1.24 3.11 0.33 5.22 0.08 -0.35 -1.60 117.98 126.00 3iwk s PHE 270 Ca -0.02 0.52 0.16 0.00 0.12 0.00 0.00 56.93 57.71 3iwk s PHE 270 Cb -0.17 -2.89 0.81 0.00 -0.57 0.00 0.00 43.02 40.19 3iwk s PHE 270 CO -0.06 -1.03 1.83 1.05 -0.10 0.00 0.00 175.22 176.92 3iwk h GLU 271 N -0.30 0.00 -3.53 0.44 9.09 -1.91 -3.35 114.58 115.02 3iwk h GLU 271 Ca -0.45 0.00 -0.74 0.00 0.05 0.00 0.00 59.36 58.22 3iwk h GLU 271 Cb 1.28 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.27 3iwk h GLU 271 CO 0.60 0.34 2.49 -0.40 0.05 0.00 0.00 179.01 182.10 3iwk n ASP 272 N -3.88 5.22 -4.01 3.06 5.75 -1.26 -4.90 116.55 116.53 3iwk n ASP 272 Ca -0.01 -3.01 -0.09 0.00 -0.01 0.00 0.00 54.79 51.67 3iwk n ASP 272 Cb 0.41 -1.52 -0.11 0.00 -1.03 0.00 0.00 41.12 38.87 3iwk n ASP 272 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3iwk s VAL 273 N 1.14 0.20 -0.44 2.12 -7.23 -1.26 -1.26 120.40 113.68 3iwk s VAL 273 Ca 0.45 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.26 3iwk s VAL 273 Cb 0.12 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.54 3iwk s VAL 273 CO -0.04 -0.56 1.73 -0.62 -0.31 0.00 0.00 175.10 175.30 3iwk s ASP 274 N -1.71 5.80 0.23 4.85 -1.08 -1.26 -4.88 116.67 118.61 3iwk s ASP 274 Ca -0.11 0.87 -0.07 0.00 -0.52 0.00 0.00 52.55 52.71 3iwk s ASP 274 Cb -0.07 -2.53 0.31 0.00 -1.46 0.00 0.00 42.92 39.16 3iwk s ASP 274 CO -0.02 -1.86 1.81 -0.07 0.52 0.00 0.00 175.17 175.55 3iwk h LEU 275 N 14.21 0.63 -0.29 -1.34 4.07 -1.98 -1.50 115.31 129.11 3iwk h LEU 275 Ca -0.30 0.03 -0.12 0.00 0.08 0.00 0.00 57.88 57.58 3iwk h LEU 275 Cb 1.15 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.80 3iwk h LEU 275 CO 1.11 0.39 -0.28 0.44 -1.08 0.00 0.00 178.44 179.02 3iwk h ASP 276 N 0.76 0.75 -0.73 -0.43 3.32 -1.99 -0.92 116.42 117.19 3iwk h ASP 276 Ca 0.34 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 3iwk h ASP 276 Cb 0.24 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3iwk h ASP 276 CO -0.20 1.06 0.25 0.11 -1.72 0.00 0.00 179.24 178.73 3iwk h LYS 277 N 0.45 1.14 -0.09 3.56 1.57 -1.88 -2.76 116.57 118.56 3iwk h LYS 277 Ca 0.05 -0.23 -0.18 0.00 -1.87 0.00 0.00 60.65 58.42 3iwk h LYS 277 Cb 0.84 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3iwk h LYS 277 CO 0.07 0.96 -0.70 0.28 -0.57 0.00 0.00 179.45 179.49 3iwk h VAL 278 N 1.10 1.37 -0.96 0.50 2.07 -1.23 -3.04 116.25 116.07 3iwk h VAL 278 Ca 0.24 -2.09 0.04 0.00 0.82 0.00 0.00 66.70 65.71 3iwk h VAL 278 Cb 0.28 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 3iwk h VAL 278 CO -0.01 0.63 0.62 0.00 0.02 0.00 0.00 177.57 178.83 3iwk h ALA 279 N 0.97 1.27 -0.43 1.67 0.00 -0.96 -0.94 119.26 120.84 3iwk h ALA 279 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 279 Cb 1.26 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3iwk h ALA 279 CO 0.12 0.50 0.15 1.49 0.00 0.00 0.00 179.25 181.50 3iwk h GLU 280 N 1.20 0.66 -0.92 0.00 4.81 -1.46 -2.09 114.58 116.79 3iwk h GLU 280 Ca 0.38 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3iwk h GLU 280 Cb 0.01 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3iwk h GLU 280 CO -0.12 0.64 0.56 -1.49 -0.73 0.00 0.00 179.01 177.87 3iwk h TRP 281 N 0.55 1.20 0.02 0.92 4.06 -1.25 0.22 115.95 121.67 3iwk h TRP 281 Ca 0.14 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.87 3iwk h TRP 281 Cb 0.24 -0.40 -0.00 0.00 -1.00 0.00 0.00 29.16 28.01 3iwk h TRP 281 CO 0.01 0.79 -0.96 1.79 -3.56 0.00 0.00 178.44 176.51 3iwk h THR 282 N 1.27 1.44 -0.55 1.49 1.35 -1.13 0.90 112.91 117.69 3iwk h THR 282 Ca 0.33 -2.57 -0.11 0.00 -0.55 0.00 0.00 66.41 63.51 3iwk h THR 282 Cb -0.07 2.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 3iwk h THR 282 CO -0.06 0.76 -0.11 0.58 -0.25 0.00 0.00 175.52 176.44 3iwk h VAL 283 N 0.18 1.27 -0.14 6.82 2.07 -1.23 -2.55 116.25 122.66 3iwk h VAL 283 Ca -0.08 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 3iwk h VAL 283 Cb 1.61 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3iwk h VAL 283 CO 0.16 0.45 0.08 0.15 0.02 0.00 0.00 177.57 178.43 3iwk h PHE 284 N 0.91 0.19 0.00 1.57 3.04 -0.85 0.21 116.94 122.02 3iwk h PHE 284 Ca 0.14 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3iwk h PHE 284 Cb 0.68 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.13 3iwk h PHE 284 CO 0.05 0.18 0.00 0.78 -2.02 0.00 0.00 178.31 177.30 3iwk h GLY 285 N 0.14 0.00 0.00 2.40 0.00 -0.65 -2.45 103.07 102.50 3iwk h GLY 285 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3iwk h GLY 285 CO -0.01 0.00 -1.31 0.00 0.00 0.00 0.00 176.54 175.22 3iwk n PHE 287 N -2.42 0.00 -1.75 0.00 0.99 0.73 -3.85 117.46 111.16 3iwk n PHE 287 Ca -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 56.99 3iwk n PHE 287 Cb 0.62 -0.08 0.06 0.00 -1.00 0.00 0.00 39.48 39.09 3iwk n PHE 287 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 3iwk s PHE 288 N -2.61 2.10 -1.44 1.38 2.19 -0.93 -2.20 117.98 116.48 3iwk s PHE 288 Ca 0.03 1.47 -0.08 0.00 0.33 0.00 0.00 56.93 58.69 3iwk s PHE 288 Cb 0.11 -3.71 0.04 0.00 -1.31 0.00 0.00 43.02 38.16 3iwk s PHE 288 CO 0.64 -2.92 0.63 2.41 1.83 0.00 0.00 175.22 177.81 3iwk n THR 289 N -1.80 -1.66 -3.50 0.12 -1.04 -1.26 -0.88 114.28 104.26 3iwk n THR 289 Ca 0.15 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.91 3iwk n THR 289 Cb 0.48 -2.79 0.01 0.00 -1.82 0.00 0.00 70.33 66.21 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 -2.49 -4.48 -0.03 8.00 3.02 -0.94 -0.98 115.26 117.37 3iwk n ASN 290 Ca -0.05 -0.51 -0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3iwk n ASN 290 Cb 0.58 -3.64 -0.00 0.00 -0.61 0.00 0.00 39.78 36.11 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 -1.40 0.30 2.64 7.41 0.00 -0.06 -3.18 105.19 110.91 3iwk n GLY 291 Ca -0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3iwk n GLY 291 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iwk n GLN 292 N -1.20 4.78 -4.82 1.61 6.02 -0.16 -2.94 117.38 120.67 3iwk n GLN 292 Ca -0.00 -4.18 -0.33 0.00 -0.01 0.00 0.00 57.00 52.47 3iwk n GLN 292 Cb 0.24 -2.46 -0.13 0.00 1.02 0.00 0.00 30.24 28.91 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 -3.78 3.13 0.20 5.09 1.01 -1.26 -4.81 121.20 120.78 3iwk s ILE 293 Ca 0.44 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3iwk s ILE 293 Cb 0.23 -2.26 0.14 0.00 0.01 0.00 0.00 42.46 40.58 3iwk s ILE 293 CO -0.17 0.57 1.87 0.00 0.00 0.00 0.00 174.94 177.20 3iwk n SER 295 N -4.61 5.30 -4.60 0.00 3.41 -1.26 -2.99 113.62 108.86 3iwk n SER 295 Ca 0.07 -2.79 -0.57 0.00 -0.26 0.00 0.00 58.87 55.32 3iwk n SER 295 Cb 0.04 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 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 0.69 -1.63 -2.62 7.33 0.00 -1.11 -4.62 120.51 118.54 3iwk n ALA 296 Ca 0.27 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.79 3iwk n ALA 296 Cb 1.08 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3iwk n ALA 296 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iwk n THR 297 N 2.78 4.02 1.08 0.00 -2.24 0.52 -3.09 114.28 117.35 3iwk n THR 297 Ca 0.22 -4.23 0.11 0.00 -2.27 0.00 0.00 64.05 57.87 3iwk n THR 297 Cb 0.12 -2.41 0.35 0.00 -2.10 0.00 0.00 70.33 66.29 3iwk n THR 297 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3iwk n SER 298 N 7.18 2.01 -3.91 3.42 3.41 -0.89 -4.32 113.62 120.52 3iwk n SER 298 Ca 0.45 -1.75 -0.30 0.00 -0.26 0.00 0.00 58.87 57.00 3iwk n SER 298 Cb 0.44 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.77 1.28 -0.07 4.33 0.52 -1.08 -1.52 118.95 120.64 3iwk s ARG 299 Ca 0.34 -1.41 -0.27 0.00 -0.52 0.00 0.00 55.73 53.87 3iwk s ARG 299 Cb 0.19 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 3iwk s ARG 299 CO 0.28 -0.87 0.85 -1.17 0.02 0.00 0.00 175.30 174.41 3iwk s LEU 300 N 1.25 4.30 -0.43 2.53 0.20 0.60 -0.46 118.68 126.67 3iwk s LEU 300 Ca 0.06 1.38 0.03 0.00 0.69 0.00 0.00 54.13 56.29 3iwk s LEU 300 Cb -0.18 -3.32 0.12 0.00 -0.43 0.00 0.00 46.19 42.37 3iwk s LEU 300 CO -0.13 -0.25 0.19 -0.63 -0.29 0.00 0.00 176.35 175.23 3iwk s ILE 301 N 1.27 1.98 0.03 6.68 1.01 0.02 -1.09 121.20 131.09 3iwk s ILE 301 Ca 0.44 -2.65 -0.01 0.00 0.00 0.00 0.00 60.65 58.43 3iwk s ILE 301 Cb -0.19 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3iwk s ILE 301 CO 0.20 -0.77 0.15 0.68 0.00 0.00 0.00 174.94 175.21 3iwk s VAL 302 N 0.39 5.11 0.24 2.92 -7.23 -0.94 -0.74 120.40 120.16 3iwk s VAL 302 Ca 0.15 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 3iwk s VAL 302 Cb -0.23 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.20 3iwk s VAL 302 CO -0.05 0.25 1.30 -2.28 -0.31 0.00 0.00 175.10 174.01 3iwk s HIS 303 N -1.35 3.22 0.50 2.82 2.46 -0.63 -1.07 115.29 121.23 3iwk s HIS 303 Ca 0.29 1.28 0.18 0.00 0.47 0.00 0.00 55.06 57.28 3iwk s HIS 303 Cb -0.13 -3.61 1.22 0.00 -0.13 0.00 0.00 32.58 29.94 3iwk s HIS 303 CO 0.21 -1.84 2.06 1.05 -2.47 0.00 0.00 174.74 173.74 3iwk h GLU 304 N 4.80 0.13 0.00 2.88 4.11 -1.34 -2.10 114.58 123.06 3iwk h GLU 304 Ca -0.46 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 3iwk h GLU 304 Cb 1.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3iwk h GLU 304 CO 0.74 0.09 -0.12 0.66 0.07 0.00 0.00 179.01 180.44 3iwk h SER 305 N 0.13 0.00 -0.01 3.06 4.64 -1.91 -2.81 113.55 116.66 3iwk h SER 305 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3iwk h SER 305 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3iwk h SER 305 CO -0.02 0.12 -0.02 2.30 -0.87 0.00 0.00 176.83 178.34 3iwk n ILE 306 N -3.61 0.00 -0.17 0.95 -5.35 -0.96 -4.85 119.36 105.37 3iwk n ILE 306 Ca -0.02 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.90 3iwk n ILE 306 Cb 0.25 1.09 -0.01 0.00 -1.74 0.00 0.00 39.64 39.22 3iwk n ILE 306 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iwk h ALA 307 N 0.91 -0.18 -0.34 -1.28 0.00 -1.11 0.19 119.26 117.43 3iwk h ALA 307 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 307 Cb 0.19 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3iwk h ALA 307 CO 0.00 -0.74 -0.38 -0.39 0.00 0.00 0.00 179.25 177.74 3iwk h VAL 308 N -0.22 1.28 -0.20 0.00 -1.51 -1.89 -1.27 116.25 112.44 3iwk h VAL 308 Ca 0.19 -1.55 -0.10 0.00 -1.23 0.00 0.00 66.70 64.01 3iwk h VAL 308 Cb 0.56 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3iwk h VAL 308 CO -0.63 0.51 -0.28 -0.08 -1.23 0.00 0.00 177.57 175.86 3iwk h GLU 309 N 0.67 0.54 -0.32 5.19 4.81 -1.76 -2.13 114.58 121.58 3iwk h GLU 309 Ca 0.06 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 3iwk h GLU 309 Cb 0.94 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3iwk h GLU 309 CO 0.09 0.92 0.06 0.35 -0.73 0.00 0.00 179.01 179.69 3iwk h PHE 310 N 0.21 0.56 -0.14 0.92 3.57 -0.66 -2.37 116.94 119.03 3iwk h PHE 310 Ca 0.02 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 3iwk h PHE 310 Cb 0.86 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3iwk h PHE 310 CO 0.09 0.60 -0.31 0.28 -2.23 0.00 0.00 178.31 176.73 3iwk h VAL 311 N 0.36 1.27 -0.05 1.41 2.07 -1.26 -0.29 116.25 119.76 3iwk h VAL 311 Ca 0.10 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 3iwk h VAL 311 Cb 0.33 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3iwk h VAL 311 CO 0.00 0.39 0.00 -0.78 0.02 0.00 0.00 177.57 177.20 3iwk h ASP 312 N 0.23 0.08 -0.62 0.57 1.82 -1.34 -0.83 116.42 116.34 3iwk h ASP 312 Ca 0.03 -0.30 0.09 0.00 -0.39 0.00 0.00 57.03 56.47 3iwk h ASP 312 Cb 0.67 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.62 3iwk h ASP 312 CO 0.05 0.36 0.41 0.11 -1.61 0.00 0.00 179.24 178.56 3iwk h LYS 313 N -0.20 0.45 -0.37 0.28 1.57 -1.21 -1.68 116.57 115.41 3iwk h LYS 313 Ca 0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 3iwk h LYS 313 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3iwk h LYS 313 CO 0.00 0.30 -0.03 1.25 -0.57 0.00 0.00 179.45 180.41 3iwk h LEU 314 N 0.47 0.66 -1.05 2.94 5.85 -0.76 -1.27 115.31 122.16 3iwk h LEU 314 Ca 0.28 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3iwk h LEU 314 Cb 0.49 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3iwk h LEU 314 CO -0.08 0.83 0.55 0.58 -0.34 0.00 0.00 178.44 179.98 3iwk h VAL 315 N 0.48 1.24 -0.11 1.05 2.07 -0.45 -1.80 116.25 118.74 3iwk h VAL 315 Ca 0.10 -0.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.95 3iwk h VAL 315 Cb 0.51 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3iwk h VAL 315 CO 0.02 0.25 -0.67 0.11 0.02 0.00 0.00 177.57 177.30 3iwk h LYS 316 N 1.22 0.45 -0.38 1.57 1.57 -1.03 -0.50 116.57 119.47 3iwk h LYS 316 Ca 0.32 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3iwk h LYS 316 Cb -0.08 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3iwk h LYS 316 CO -0.06 0.96 -0.18 -1.49 -0.57 0.00 0.00 179.45 178.11 3iwk h TRP 317 N 0.32 0.79 -0.20 -1.35 4.06 -1.14 -3.10 115.95 115.34 3iwk h TRP 317 Ca -0.02 -0.16 -0.08 0.00 2.06 0.00 0.00 58.89 60.69 3iwk h TRP 317 Cb 1.23 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 3iwk h TRP 317 CO 0.04 0.84 -0.20 0.00 -3.56 0.00 0.00 178.44 175.56 3iwk h ALA 318 N 1.17 0.29 0.00 1.49 0.00 -1.03 -3.10 119.26 118.07 3iwk h ALA 318 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iwk h ALA 318 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3iwk h ALA 318 CO 0.05 0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.91 3iwk n GLU 319 N -4.44 0.15 0.00 0.00 1.02 -0.22 -2.55 120.64 114.60 3iwk n GLU 319 Ca -0.05 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 3iwk n GLU 319 Cb 0.41 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.42 3iwk n GLU 319 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iwk n ASN 320 N -1.39 2.42 -4.65 1.62 5.15 -1.17 -4.92 115.26 112.33 3iwk n ASN 320 Ca 0.07 -1.72 -0.43 0.00 -0.60 0.00 0.00 54.58 51.91 3iwk n ASN 320 Cb 0.19 0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.63 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 -2.23 4.13 -0.13 -1.44 1.01 -1.06 -4.96 121.20 116.52 3iwk s ILE 321 Ca 0.24 1.32 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 3iwk s ILE 321 Cb 0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3iwk s ILE 321 CO 0.43 -0.27 1.87 -0.75 0.00 0.00 0.00 174.94 176.21 3iwk s LYS 322 N 3.90 3.76 -0.26 2.79 2.20 -1.26 -4.86 119.74 126.01 3iwk s LYS 322 Ca 0.58 2.06 -0.05 0.00 -0.36 0.00 0.00 55.97 58.20 3iwk s LYS 322 Cb -0.21 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 3iwk s LYS 322 CO 0.20 -1.36 0.02 -1.50 -0.36 0.00 0.00 175.35 172.35 3iwk s ILE 323 N 5.67 3.65 0.30 5.43 1.10 -1.26 -0.38 121.20 135.70 3iwk s ILE 323 Ca 0.83 -0.65 -0.10 0.00 -0.51 0.00 0.00 60.65 60.22 3iwk s ILE 323 Cb -0.33 -2.80 0.04 0.00 0.15 0.00 0.00 42.46 39.52 3iwk s ILE 323 CO 0.34 0.21 0.58 -1.54 -2.11 0.00 0.00 174.94 172.43 3iwk n SER 324 N 4.82 -1.69 -4.64 4.50 3.41 -0.93 -4.99 113.62 114.11 3iwk n SER 324 Ca -0.16 -2.26 -0.49 0.00 -0.26 0.00 0.00 58.87 55.70 3iwk n SER 324 Cb 0.49 2.83 -0.05 0.00 -0.26 0.00 0.00 64.21 67.22 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 -1.45 2.45 0.17 4.04 2.03 -1.26 -4.36 116.55 118.17 3iwk n ASP 325 Ca -0.06 1.09 0.18 0.00 0.52 0.00 0.00 54.79 56.53 3iwk n ASP 325 Cb 0.46 -1.31 0.73 0.00 -0.72 0.00 0.00 41.12 40.28 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 5.53 0.00 0.00 -0.67 0.13 -1.87 -1.53 132.00 133.59 3iwk h PRO 326 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iwk h PRO 326 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3iwk h PRO 326 CO 0.85 0.00 -0.82 1.28 -0.23 0.00 0.00 178.00 179.08 3iwk n LEU 327 N -3.38 0.63 -4.76 1.56 4.77 -1.26 -0.88 117.00 113.68 3iwk n LEU 327 Ca 0.05 0.04 -0.39 0.00 -0.03 0.00 0.00 56.01 55.67 3iwk n LEU 327 Cb 0.59 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3iwk n LEU 327 CO 0.22 0.04 0.99 -0.70 -1.33 0.00 0.00 177.39 176.61 3iwk s GLU 328 N -3.15 3.62 0.23 3.23 2.12 -0.58 -4.94 118.70 119.24 3iwk s GLU 328 Ca 0.06 2.23 -0.31 0.00 0.36 0.00 0.00 54.97 57.30 3iwk s GLU 328 Cb 0.15 -2.55 -0.11 0.00 0.26 0.00 0.00 34.13 31.87 3iwk s GLU 328 CO 0.76 -0.80 1.66 -2.00 -0.54 0.00 0.00 175.26 174.34 3iwk s GLU 329 N -2.54 4.14 0.00 4.30 2.12 -1.26 -2.69 118.70 122.76 3iwk s GLU 329 Ca 0.63 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.52 3iwk s GLU 329 Cb -0.40 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3iwk s GLU 329 CO 0.50 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3iwk n GLY 330 N 3.39 1.57 3.62 -1.50 0.00 -1.26 -5.01 105.19 106.00 3iwk n GLY 330 Ca 0.13 0.00 -0.53 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 3.28 4.20 -3.68 0.00 5.12 0.49 -4.82 116.66 121.24 3iwk n ARG 332 Ca 0.20 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.94 3iwk n ARG 332 Cb 0.19 -0.66 -0.17 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.22 0.16 0.00 0.55 2.96 -0.51 -4.88 118.68 114.74 3iwk s LEU 333 Ca 0.00 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 3iwk s LEU 333 Cb 0.00 0.05 0.05 0.00 0.50 0.00 0.00 46.19 46.79 3iwk s LEU 333 CO 0.00 -0.23 0.34 0.61 -1.32 0.00 0.00 176.35 175.75 3iwk n GLY 334 N 5.17 0.75 3.91 7.98 0.00 -1.26 -2.19 105.19 119.54 3iwk n GLY 334 Ca -0.07 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.31 3.23 0.61 1.61 0.04 -1.23 -4.80 135.00 131.16 3iwk s PRO 335 Ca 0.23 0.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.23 3iwk s PRO 335 Cb -0.01 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 3iwk s PRO 335 CO 0.15 -0.49 1.24 0.42 0.04 0.00 0.00 177.00 178.36 3iwk s ILE 336 N -2.91 2.42 0.45 0.56 -1.09 0.14 -4.71 121.20 116.07 3iwk s ILE 336 Ca 0.51 0.26 0.12 0.00 -2.23 0.00 0.00 60.65 59.32 3iwk s ILE 336 Cb -0.10 -3.10 0.29 0.00 -1.58 0.00 0.00 42.46 37.96 3iwk s ILE 336 CO 0.46 -0.06 2.06 1.62 -1.23 0.00 0.00 174.94 177.79 3iwk h VAL 337 N 0.76 1.00 -3.46 2.92 3.04 -1.89 -3.43 116.25 115.20 3iwk h VAL 337 Ca -0.51 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 3iwk h VAL 337 Cb 1.31 0.63 -0.11 0.00 -2.01 0.00 0.00 31.29 31.11 3iwk h VAL 337 CO 0.54 0.06 -0.08 -0.94 -1.01 0.00 0.00 177.57 176.15 3iwk s SER 338 N -6.65 -0.18 0.19 3.17 1.04 -1.26 -4.57 113.70 105.44 3iwk s SER 338 Ca -0.07 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 55.70 3iwk s SER 338 Cb 0.18 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.94 3iwk s SER 338 CO 0.72 -0.98 1.79 -0.08 0.98 0.00 0.00 173.24 175.67 3iwk h GLU 339 N 2.32 0.97 -0.55 4.02 4.81 -1.97 -0.49 114.58 123.70 3iwk h GLU 339 Ca -0.30 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3iwk h GLU 339 Cb 1.25 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3iwk h GLU 339 CO 0.42 0.76 0.34 0.00 -0.73 0.00 0.00 179.01 179.80 3iwk h ALA 340 N 1.16 0.69 -0.44 2.92 0.00 -2.00 -1.82 119.26 119.78 3iwk h ALA 340 Ca 0.24 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 340 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3iwk h ALA 340 CO -0.03 0.16 -0.28 1.96 0.00 0.00 0.00 179.25 181.06 3iwk h GLN 341 N 0.74 0.95 -0.38 0.00 1.08 -1.94 -2.48 115.11 113.08 3iwk h GLN 341 Ca 0.20 -0.44 0.07 0.00 -1.45 0.00 0.00 58.65 57.04 3iwk h GLN 341 Cb -0.04 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.30 3iwk h GLN 341 CO -0.04 1.10 -0.07 -0.92 -0.95 0.00 0.00 178.83 177.95 3iwk h TYR 342 N 0.80 -0.15 -0.22 2.96 3.20 -0.76 0.16 116.97 122.96 3iwk h TYR 342 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3iwk h TYR 342 Cb 0.86 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 3iwk h TYR 342 CO 0.05 -0.14 0.10 0.87 -1.64 0.00 0.00 178.16 177.41 3iwk h LYS 343 N 0.03 0.31 -0.53 1.82 1.57 -1.31 -1.78 116.57 116.68 3iwk h LYS 343 Ca 0.18 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3iwk h LYS 343 Cb 0.28 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 3iwk h LYS 343 CO -0.37 0.33 0.25 0.87 -0.57 0.00 0.00 179.45 179.96 3iwk h LYS 344 N 0.22 0.47 -0.25 3.15 1.57 -0.98 0.52 116.57 121.26 3iwk h LYS 344 Ca 0.07 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3iwk h LYS 344 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3iwk h LYS 344 CO -0.01 0.31 0.12 0.28 -0.57 0.00 0.00 179.45 179.58 3iwk h VAL 345 N 0.49 0.98 -0.47 0.50 2.07 -0.89 -1.07 116.25 117.85 3iwk h VAL 345 Ca 0.24 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 3iwk h VAL 345 Cb 0.18 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3iwk h VAL 345 CO -0.18 0.05 0.06 -0.07 0.02 0.00 0.00 177.57 177.44 3iwk h LEU 346 N 0.25 0.70 -1.40 2.57 3.38 -0.58 -2.11 115.31 118.13 3iwk h LEU 346 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3iwk h LEU 346 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3iwk h LEU 346 CO -0.08 0.74 -0.29 0.78 0.09 0.00 0.00 178.44 179.68 3iwk h ASN 347 N 0.71 0.00 0.02 -0.43 2.35 0.33 -2.10 115.58 116.46 3iwk h ASN 347 Ca 0.15 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.73 3iwk h ASN 347 Cb 0.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 3iwk h ASN 347 CO 0.01 0.29 -0.59 0.00 -1.65 0.00 0.00 177.43 175.49 3iwk h ILE 349 N 0.44 1.35 0.00 0.00 2.04 -1.07 -2.80 117.51 117.47 3iwk h ILE 349 Ca -0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 3iwk h ILE 349 Cb 1.15 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3iwk h ILE 349 CO 0.11 0.27 -0.37 0.77 0.00 0.00 0.00 178.15 178.94 3iwk h SER 350 N -0.44 0.00 -0.71 1.72 4.64 -1.48 -2.35 113.55 114.92 3iwk h SER 350 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3iwk h SER 350 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3iwk h SER 350 CO 0.00 0.37 0.28 0.28 -0.87 0.00 0.00 176.83 176.89 3iwk h SER 351 N 0.00 1.00 -0.19 4.97 0.02 -1.44 -1.31 113.55 116.59 3iwk h SER 351 Ca -0.00 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3iwk h SER 351 Cb 0.71 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3iwk h SER 351 CO 0.05 0.89 0.05 0.00 -1.14 0.00 0.00 176.83 176.68 3iwk h ALA 352 N 1.25 0.20 -0.30 3.77 0.00 -1.15 -1.60 119.26 121.43 3iwk h ALA 352 Ca 0.24 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3iwk h ALA 352 Cb 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3iwk h ALA 352 CO -0.02 -0.38 -0.18 0.87 0.00 0.00 0.00 179.25 179.54 3iwk h LYS 353 N 0.13 -0.14 0.00 0.00 1.57 -1.26 -1.07 116.57 115.79 3iwk h LYS 353 Ca 0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3iwk h LYS 353 Cb 0.07 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3iwk h LYS 353 CO -0.10 -0.09 -0.07 0.77 -0.57 0.00 0.00 179.45 179.39 3iwk h SER 354 N -0.15 0.00 0.12 0.86 0.02 -0.98 -1.64 113.55 111.77 3iwk h SER 354 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3iwk h SER 354 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3iwk h SER 354 CO -0.39 0.07 -0.18 -0.62 -1.14 0.00 0.00 176.83 174.57 3iwk n GLU 355 N -4.07 1.23 0.00 3.45 1.02 -0.63 -4.94 120.64 116.70 3iwk n GLU 355 Ca -0.03 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 3iwk n GLU 355 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 1.30 1.09 3.89 0.62 0.00 -0.62 -5.01 105.19 106.45 3iwk n GLY 356 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 3.24 -0.24 4.61 0.00 -0.45 -4.93 121.76 121.98 3iwk s ALA 357 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 3iwk s ALA 357 Cb 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 3iwk s ALA 357 CO 0.00 -0.58 0.04 0.99 0.00 0.00 0.00 175.76 176.21 3iwk s THR 358 N -2.98 4.07 -0.83 0.00 2.01 0.14 -4.32 115.64 113.73 3iwk s THR 358 Ca 0.52 -0.25 -0.25 0.00 0.31 0.00 0.00 61.69 62.01 3iwk s THR 358 Cb -0.11 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.56 3iwk s THR 358 CO 0.49 0.36 1.30 -0.63 -0.69 0.00 0.00 174.62 175.45 3iwk s ILE 359 N 1.56 3.87 0.25 1.82 -1.09 -1.26 -0.18 121.20 126.18 3iwk s ILE 359 Ca 0.06 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 3iwk s ILE 359 Cb -0.15 -4.94 -0.03 0.00 -1.58 0.00 0.00 42.46 35.77 3iwk s ILE 359 CO 0.02 -1.84 1.59 -0.07 -1.23 0.00 0.00 174.94 173.41 3iwk h LEU 360 N 12.71 0.27 -7.14 2.97 3.38 -1.27 -3.46 115.31 122.77 3iwk h LEU 360 Ca -0.12 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 3iwk h LEU 360 Cb 1.04 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 3iwk h LEU 360 CO 1.31 0.77 0.06 0.28 0.09 0.00 0.00 178.44 180.96 3iwk s THR 361 N -3.84 0.02 0.00 0.22 -1.32 -1.22 -4.98 115.64 104.51 3iwk s THR 361 Ca -0.04 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 3iwk s THR 361 Cb 0.12 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 3iwk s THR 361 CO 0.79 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.74 3iwk n GLY 362 N 1.01 0.69 2.22 6.08 0.00 -1.25 -2.28 105.19 111.65 3iwk n GLY 362 Ca -0.20 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 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 0.85 3.42 -0.02 0.00 -1.26 -5.00 105.19 103.19 3iwk n GLY 363 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -2.36 1.24 0.27 1.61 1.70 -1.26 -4.99 118.95 115.16 3iwk s ARG 364 Ca 0.00 -0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 3iwk s ARG 364 Cb 0.00 0.47 -0.09 0.00 -0.57 0.00 0.00 34.95 34.75 3iwk s ARG 364 CO 0.00 -0.50 1.15 -0.98 -1.08 0.00 0.00 175.30 173.89 3iwk s ARG 365 N -3.88 4.57 0.47 3.89 1.70 -1.26 -1.69 118.95 122.74 3iwk s ARG 365 Ca 0.10 1.88 -0.24 0.00 -0.47 0.00 0.00 55.73 57.00 3iwk s ARG 365 Cb 0.01 -3.18 -0.07 0.00 -0.57 0.00 0.00 34.95 31.13 3iwk s ARG 365 CO -0.04 0.09 1.39 -2.14 -1.08 0.00 0.00 175.30 173.52 3iwk s PRO 366 N -1.26 3.60 0.26 3.89 0.02 -1.26 -4.89 135.00 135.35 3iwk s PRO 366 Ca 0.47 2.32 -0.03 0.00 0.02 0.00 0.00 61.00 63.77 3iwk s PRO 366 Cb -0.33 -2.57 0.33 0.00 0.02 0.00 0.00 34.50 31.95 3iwk s PRO 366 CO 0.42 -0.86 1.83 1.49 -0.33 0.00 0.00 177.00 179.55 3iwk h GLU 367 N 2.16 0.99 -0.00 5.54 4.22 -2.00 -2.96 114.58 122.53 3iwk h GLU 367 Ca -0.51 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 58.76 3iwk h GLU 367 Cb 1.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3iwk h GLU 367 CO 0.60 0.82 -0.01 -2.39 -2.18 0.00 0.00 179.01 175.85 3iwk n HIS 368 N -4.29 0.00 -3.83 0.92 1.44 -1.26 -4.47 115.22 103.73 3iwk n HIS 368 Ca 0.06 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.47 3iwk n HIS 368 Cb 0.19 -0.04 -0.14 0.00 0.12 0.00 0.00 29.99 30.12 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 -2.09 3.43 0.34 2.39 1.43 -1.12 -4.97 118.68 118.09 3iwk s LEU 369 Ca 0.43 -2.63 0.11 0.00 -1.03 0.00 0.00 54.13 51.02 3iwk s LEU 369 Cb 0.22 -1.30 0.59 0.00 0.03 0.00 0.00 46.19 45.73 3iwk s LEU 369 CO 0.38 -0.28 1.75 0.11 0.23 0.00 0.00 176.35 178.55 3iwk h LYS 370 N 6.85 0.02 -6.43 1.70 1.79 -1.81 -3.44 116.57 115.26 3iwk h LYS 370 Ca -0.05 -0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 57.78 3iwk h LYS 370 Cb 0.93 -0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.42 3iwk h LYS 370 CO 0.56 0.47 -0.79 0.15 -1.08 0.00 0.00 179.45 178.76 3iwk s LYS 371 N -4.01 1.64 0.00 3.15 1.02 -1.26 -5.09 119.74 115.19 3iwk s LYS 371 Ca -0.02 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.36 3iwk s LYS 371 Cb 0.14 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 3iwk s LYS 371 CO 0.74 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.95 3iwk n GLY 372 N -0.14 2.27 2.43 -3.33 0.00 -1.25 -4.78 105.19 100.39 3iwk n GLY 372 Ca -0.09 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 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 1.50 2.08 -3.47 1.61 0.53 -0.44 -4.95 117.16 114.02 3iwk n TYR 373 Ca 0.00 -2.48 -0.37 0.00 -1.02 0.00 0.00 57.90 54.03 3iwk n TYR 373 Cb 0.00 -1.74 -0.07 0.00 -1.03 0.00 0.00 39.34 36.50 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 -0.86 3.49 0.01 -0.72 0.40 -1.26 0.25 117.98 119.30 3iwk s PHE 374 Ca 0.58 0.71 0.04 0.00 -0.60 0.00 0.00 56.93 57.66 3iwk s PHE 374 Cb 0.26 -2.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 3iwk s PHE 374 CO -0.13 0.25 -0.13 0.14 0.70 0.00 0.00 175.22 176.05 3iwk s VAL 375 N 0.40 1.05 0.57 -0.44 -7.23 -1.26 -4.25 120.40 109.24 3iwk s VAL 375 Ca 0.20 -0.74 -0.19 0.00 -1.81 0.00 0.00 61.98 59.44 3iwk s VAL 375 Cb -0.14 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 3iwk s VAL 375 CO 0.06 0.16 1.14 -1.61 -0.31 0.00 0.00 175.10 174.55 3iwk s GLU 376 N -0.66 3.17 0.20 4.82 2.02 -0.68 -4.90 118.70 122.66 3iwk s GLU 376 Ca 0.03 1.62 -0.32 0.00 0.02 0.00 0.00 54.97 56.33 3iwk s GLU 376 Cb -0.06 -1.98 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 3iwk s GLU 376 CO 0.00 -1.00 1.71 -2.14 0.02 0.00 0.00 175.26 173.86 3iwk s PRO 377 N -3.43 4.14 -0.09 0.39 0.02 -1.26 -4.12 135.00 130.64 3iwk s PRO 377 Ca 0.73 2.58 0.02 0.00 0.02 0.00 0.00 61.00 64.34 3iwk s PRO 377 Cb -0.25 -3.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 3iwk s PRO 377 CO 0.31 -0.74 -0.14 0.99 -0.33 0.00 0.00 177.00 177.08 3iwk s THR 378 N 1.31 3.03 -0.12 0.99 2.01 0.98 -3.90 115.64 119.94 3iwk s THR 378 Ca 0.75 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3iwk s THR 378 Cb -0.49 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 69.80 3iwk s THR 378 CO 0.32 0.56 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.96 3iwk s ILE 379 N -0.15 1.98 -0.19 1.82 1.01 -0.97 -0.63 121.20 124.08 3iwk s ILE 379 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3iwk s ILE 379 Cb -0.13 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3iwk s ILE 379 CO 0.03 0.54 -0.17 -0.63 0.00 0.00 0.00 174.94 174.71 3iwk s ILE 380 N 0.61 2.33 0.54 2.92 1.01 0.83 -0.66 121.20 128.77 3iwk s ILE 380 Ca -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3iwk s ILE 380 Cb -0.17 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3iwk s ILE 380 CO 0.03 0.51 0.17 0.42 0.00 0.00 0.00 174.94 176.07 3iwk s THR 381 N 1.33 1.26 -1.26 2.92 -4.23 0.75 -0.63 115.64 115.78 3iwk s THR 381 Ca 0.05 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3iwk s THR 381 Cb -0.13 -2.06 -0.00 0.00 1.34 0.00 0.00 72.50 71.65 3iwk s THR 381 CO -0.11 0.00 0.78 0.47 -0.54 0.00 0.00 174.62 175.22 3iwk n ASP 382 N -1.50 -1.83 -4.86 3.99 8.00 -1.26 0.24 116.55 119.34 3iwk n ASP 382 Ca -0.13 -0.78 -0.38 0.00 0.71 0.00 0.00 54.79 54.21 3iwk n ASP 382 Cb 0.66 -4.31 -0.06 0.00 -0.02 0.00 0.00 41.12 37.39 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 383 N -3.58 5.26 -0.06 2.53 1.01 -1.25 -4.20 120.40 120.11 3iwk s VAL 383 Ca 0.05 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.59 3iwk s VAL 383 Cb -0.01 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3iwk s VAL 383 CO 0.79 0.60 -0.14 -0.89 0.00 0.00 0.00 175.10 175.46 3iwk s THR 384 N -1.06 3.08 0.60 3.92 2.01 -1.26 -4.89 115.64 118.04 3iwk s THR 384 Ca 0.19 -0.71 0.28 0.00 0.31 0.00 0.00 61.69 61.77 3iwk s THR 384 Cb -0.14 -2.21 0.41 0.00 0.01 0.00 0.00 72.50 70.56 3iwk s THR 384 CO 0.09 0.59 1.44 0.74 -0.69 0.00 0.00 174.62 176.78 3iwk h THR 385 N 4.43 0.07 -0.00 -0.82 2.02 -1.99 0.13 112.91 116.74 3iwk h THR 385 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3iwk h THR 385 Cb 1.16 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3iwk h THR 385 CO 0.51 0.00 -0.55 -1.54 0.37 0.00 0.00 175.52 174.31 3iwk n SER 386 N -3.37 0.58 -4.79 4.18 3.41 -1.26 -4.76 113.62 107.61 3iwk n SER 386 Ca 0.21 -0.36 -0.35 0.00 -0.26 0.00 0.00 58.87 58.11 3iwk n SER 386 Cb 1.38 0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 65.62 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 -2.98 3.96 0.24 4.33 1.00 0.44 -4.95 119.30 121.33 3iwk s MET 387 Ca 0.11 1.40 -0.05 0.00 0.00 0.00 0.00 55.69 57.15 3iwk s MET 387 Cb 0.17 -2.26 0.37 0.00 0.00 0.00 0.00 34.83 33.11 3iwk s MET 387 CO 0.71 -0.30 1.80 1.96 0.00 0.00 0.00 175.02 179.20 3iwk h GLN 388 N 1.93 0.72 0.00 2.03 4.20 -1.92 -2.02 115.11 120.05 3iwk h GLN 388 Ca -0.49 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.18 3iwk h GLN 388 Cb 1.22 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3iwk h GLN 388 CO 0.60 0.48 0.00 -0.84 -0.67 0.00 0.00 178.83 178.40 3iwk h ILE 389 N 0.75 0.00 0.13 2.54 -0.00 -1.88 0.08 117.51 119.13 3iwk h ILE 389 Ca 0.38 -0.21 -0.32 0.00 -0.00 0.00 0.00 64.86 64.71 3iwk h ILE 389 Cb 0.34 1.06 -0.01 0.00 -0.00 0.00 0.00 36.82 38.21 3iwk h ILE 389 CO -0.24 0.00 -1.64 -0.25 -0.00 0.00 0.00 178.15 176.02 3iwk h TRP 390 N 0.00 0.49 0.06 0.16 2.91 -1.67 -3.41 115.95 114.48 3iwk h TRP 390 Ca 0.00 -0.36 -0.33 0.00 1.13 0.00 0.00 58.89 59.34 3iwk h TRP 390 Cb 0.23 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 3iwk h TRP 390 CO 0.00 1.46 -1.86 0.54 -1.03 0.00 0.00 178.44 177.55 3iwk n ARG 391 N -3.46 0.69 -5.00 2.65 1.74 -0.83 -4.98 116.66 107.46 3iwk n ARG 391 Ca -0.20 0.27 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 3iwk n ARG 391 Cb 1.05 -1.75 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 3iwk n ARG 391 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3iwk s GLU 392 N -2.58 1.86 0.16 5.56 2.02 -0.05 -4.90 118.70 120.78 3iwk s GLU 392 Ca -0.13 -1.05 -0.32 0.00 0.02 0.00 0.00 54.97 53.50 3iwk s GLU 392 Cb 0.07 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 32.24 3iwk s GLU 392 CO 0.80 0.52 1.62 -2.00 0.02 0.00 0.00 175.26 176.21 3iwk s GLU 393 N -1.05 4.19 -0.17 1.61 2.12 -1.26 -4.70 118.70 119.45 3iwk s GLU 393 Ca 0.11 2.41 -0.16 0.00 0.36 0.00 0.00 54.97 57.69 3iwk s GLU 393 Cb -0.10 -3.20 -0.22 0.00 0.26 0.00 0.00 34.13 30.87 3iwk s GLU 393 CO 0.01 -0.66 0.31 0.28 -0.54 0.00 0.00 175.26 174.66 3iwk h VAL 394 N 4.08 0.84 -3.65 3.70 2.07 -1.93 -3.49 116.25 117.86 3iwk h VAL 394 Ca -0.43 -2.26 -0.27 0.00 0.82 0.00 0.00 66.70 64.57 3iwk h VAL 394 Cb 1.20 2.38 0.07 0.00 -1.52 0.00 0.00 31.29 33.42 3iwk h VAL 394 CO 0.93 0.55 -0.43 0.33 0.02 0.00 0.00 177.57 178.96 3iwk n PHE 395 N -4.08 -1.60 -4.05 1.57 7.35 -1.26 -4.64 117.46 110.75 3iwk n PHE 395 Ca -0.31 0.51 -0.11 0.00 -0.76 0.00 0.00 57.45 56.77 3iwk n PHE 395 Cb 0.82 -3.51 -0.05 0.00 0.35 0.00 0.00 39.48 37.09 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 -3.00 0.94 -0.97 7.13 0.00 -1.15 -4.39 107.32 105.88 3iwk s GLY 396 Ca 0.29 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.62 3iwk s GLY 396 CO 0.36 -0.83 1.95 -1.55 0.00 0.00 0.00 173.10 173.03 3iwk n PRO 397 N -0.43 1.76 -3.75 2.90 -0.04 -1.19 -4.56 135.00 129.70 3iwk n PRO 397 Ca -0.01 -2.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.06 3iwk n PRO 397 Cb 0.62 -3.18 -0.17 0.00 -0.04 0.00 0.00 33.50 30.73 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 6.20 0.35 -0.15 0.52 1.01 -1.26 -0.01 120.40 127.06 3iwk s VAL 398 Ca 0.59 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 3iwk s VAL 398 Cb 0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3iwk s VAL 398 CO 0.10 0.12 0.00 -0.22 0.00 0.00 0.00 175.10 175.10 3iwk s LEU 399 N 1.97 3.49 -0.18 3.92 2.96 0.20 -4.85 118.68 126.20 3iwk s LEU 399 Ca 0.04 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3iwk s LEU 399 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3iwk s LEU 399 CO -0.06 0.22 0.03 0.00 -1.32 0.00 0.00 176.35 175.22 3iwk s ALA 400 N 0.10 3.25 -0.15 5.97 0.00 -0.58 -0.12 121.76 130.24 3iwk s ALA 400 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3iwk s ALA 400 Cb -0.13 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 3iwk s ALA 400 CO 0.02 0.14 -0.15 0.08 0.00 0.00 0.00 175.76 175.84 3iwk s VAL 401 N 0.47 2.70 0.26 0.00 1.01 0.19 -0.29 120.40 124.74 3iwk s VAL 401 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.30 3iwk s VAL 401 Cb -0.13 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3iwk s VAL 401 CO 0.01 0.52 -0.10 -0.54 0.00 0.00 0.00 175.10 175.00 3iwk s LYS 402 N 0.69 1.50 0.26 2.72 -0.14 -0.25 -3.95 119.74 120.58 3iwk s LYS 402 Ca -0.07 -1.73 0.11 0.00 -1.36 0.00 0.00 55.97 52.92 3iwk s LYS 402 Cb -0.16 -1.20 -0.05 0.00 -1.68 0.00 0.00 37.83 34.75 3iwk s LYS 402 CO 0.02 0.11 -0.11 -0.08 -0.76 0.00 0.00 175.35 174.53 3iwk s THR 403 N -2.95 2.95 0.14 2.17 -1.32 -1.26 -2.21 115.64 113.16 3iwk s THR 403 Ca 0.27 -2.13 -0.09 0.00 -1.21 0.00 0.00 61.69 58.54 3iwk s THR 403 Cb 0.02 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.45 3iwk s THR 403 CO 0.11 -0.36 0.25 0.72 -2.21 0.00 0.00 174.62 173.13 3iwk s PHE 404 N -2.34 0.34 -0.07 9.09 -0.12 -0.23 -4.88 117.98 119.77 3iwk s PHE 404 Ca 0.30 -0.72 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3iwk s PHE 404 Cb -0.06 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 3iwk s PHE 404 CO 0.17 -0.67 -0.08 -1.13 -0.05 0.00 0.00 175.22 173.46 3iwk n SER 405 N -0.17 1.80 -4.91 1.98 3.41 -1.26 -0.84 113.62 113.63 3iwk n SER 405 Ca -0.09 0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 58.35 3iwk n SER 405 Cb 0.63 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.14 3.62 0.09 6.66 -4.23 -1.26 -4.92 115.64 113.46 3iwk s THR 406 Ca -0.10 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 58.99 3iwk s THR 406 Cb 0.03 -3.23 -0.08 0.00 1.34 0.00 0.00 72.50 70.56 3iwk s THR 406 CO 0.14 -0.15 1.52 -0.08 -0.54 0.00 0.00 174.62 175.52 3iwk h GLU 407 N 1.09 0.45 -0.84 3.99 4.81 -2.00 -2.44 114.58 119.64 3iwk h GLU 407 Ca -0.45 -0.15 0.16 0.00 -0.13 0.00 0.00 59.36 58.80 3iwk h GLU 407 Cb 1.26 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 3iwk h GLU 407 CO 0.56 0.63 0.55 1.49 -0.73 0.00 0.00 179.01 181.51 3iwk h GLU 408 N 0.23 0.51 -0.16 1.92 4.81 -2.00 -1.32 114.58 118.58 3iwk h GLU 408 Ca 0.07 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 3iwk h GLU 408 Cb 0.42 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.70 3iwk h GLU 408 CO 0.01 0.34 -0.77 1.49 -0.73 0.00 0.00 179.01 179.36 3iwk h GLU 409 N 0.53 0.81 -0.31 1.92 4.81 -1.93 -2.54 114.58 117.86 3iwk h GLU 409 Ca 0.42 -0.65 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3iwk h GLU 409 Cb 0.86 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3iwk h GLU 409 CO -0.17 1.26 0.09 0.00 -0.73 0.00 0.00 179.01 179.46 3iwk h ALA 410 N 0.56 0.41 -0.53 2.92 0.00 -0.85 -1.95 119.26 119.81 3iwk h ALA 410 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3iwk h ALA 410 Cb 1.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3iwk h ALA 410 CO 0.16 0.05 0.29 0.82 0.00 0.00 0.00 179.25 180.57 3iwk h ILE 411 N 0.34 1.18 -0.30 0.00 2.04 -1.31 -0.75 117.51 118.72 3iwk h ILE 411 Ca 0.10 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 3iwk h ILE 411 Cb 0.26 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3iwk h ILE 411 CO -0.00 0.20 -0.20 0.78 0.00 0.00 0.00 178.15 178.92 3iwk h ASN 412 N 0.72 0.55 -0.24 1.72 2.35 -1.40 -1.54 115.58 117.74 3iwk h ASN 412 Ca 0.19 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3iwk h ASN 412 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3iwk h ASN 412 CO -0.03 0.76 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.30 3iwk h LEU 413 N 0.50 0.54 -0.79 1.61 3.38 -1.18 -2.32 115.31 117.05 3iwk h LEU 413 Ca 0.08 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3iwk h LEU 413 Cb 0.63 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3iwk h LEU 413 CO 0.04 0.85 0.49 0.00 0.09 0.00 0.00 178.44 179.91 3iwk h ALA 414 N 0.71 1.06 -0.07 1.53 0.00 -0.94 -1.76 119.26 119.79 3iwk h ALA 414 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 414 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3iwk h ALA 414 CO 0.04 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.62 3iwk n ASN 415 N -4.65 1.15 -3.47 0.00 3.02 -0.60 -4.53 115.26 106.18 3iwk n ASN 415 Ca 0.10 -1.50 -0.40 0.00 -0.03 0.00 0.00 54.58 52.76 3iwk n ASN 415 Cb 0.14 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.06 6.77 -3.58 6.41 2.03 -0.66 -4.79 116.55 122.66 3iwk n ASP 416 Ca 0.18 -2.67 -0.17 0.00 0.52 0.00 0.00 54.79 52.65 3iwk n ASP 416 Cb 0.27 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.03 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 2.62 0.01 -0.77 5.18 -1.32 -1.26 -4.97 115.64 115.13 3iwk s THR 417 Ca 0.60 -0.11 0.26 0.00 -1.21 0.00 0.00 61.69 61.23 3iwk s THR 417 Cb 0.16 -0.91 0.25 0.00 -1.51 0.00 0.00 72.50 70.49 3iwk s THR 417 CO -0.07 -0.06 1.74 0.00 -2.21 0.00 0.00 174.62 174.02 3iwk n HIS 418 N 1.02 0.73 -2.02 9.09 1.44 -1.26 -4.87 115.22 119.35 3iwk n HIS 418 Ca -0.20 0.21 -0.28 0.00 -2.01 0.00 0.00 57.72 55.44 3iwk n HIS 418 Cb 0.57 -0.83 0.14 0.00 0.12 0.00 0.00 29.99 29.99 3iwk n HIS 418 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3iwk s TYR 419 N -3.09 2.15 -0.36 -1.40 1.51 -1.26 -1.67 117.35 113.24 3iwk s TYR 419 Ca 0.11 0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.61 3iwk s TYR 419 Cb 0.14 -3.72 0.23 0.00 -0.11 0.00 0.00 41.96 38.50 3iwk s TYR 419 CO 0.60 -2.15 1.21 0.41 -1.11 0.00 0.00 175.55 174.51 3iwk n GLY 420 N -3.44 -0.09 0.00 0.71 0.00 -1.19 -4.72 105.19 96.47 3iwk n GLY 420 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.30 0.83 0.00 0.99 7.94 -1.26 -0.51 117.00 124.69 3iwk n LEU 421 Ca -0.13 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.60 3iwk n LEU 421 Cb 0.73 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.69 3iwk n LEU 421 CO -0.09 0.00 0.11 0.61 -1.11 0.00 0.00 177.39 176.91 3iwk n GLY 422 N 2.56 2.57 0.00 -3.96 0.00 -1.26 -1.16 105.19 103.94 3iwk n GLY 422 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3iwk n GLY 422 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iwk n SER 423 N -2.08 0.00 -3.98 1.61 3.41 -0.92 -4.21 113.62 107.45 3iwk n SER 423 Ca 0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.45 3iwk n SER 423 Cb 0.43 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 3iwk n SER 423 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwk s ALA 424 N -1.59 0.69 -0.15 7.33 0.00 0.15 -0.37 121.76 127.81 3iwk s ALA 424 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3iwk s ALA 424 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 3iwk s ALA 424 CO 0.00 0.13 -0.16 0.08 0.00 0.00 0.00 175.76 175.81 3iwk s VAL 425 N 0.07 2.66 -0.25 0.00 1.01 -0.10 -0.16 120.40 123.62 3iwk s VAL 425 Ca -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3iwk s VAL 425 Cb -0.06 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.23 3iwk s VAL 425 CO -0.00 0.52 -0.05 -0.04 0.00 0.00 0.00 175.10 175.53 3iwk s MET 426 N 0.76 2.89 -0.29 2.72 -1.94 0.11 -0.29 119.30 123.26 3iwk s MET 426 Ca -0.06 -0.94 -0.16 0.00 -1.71 0.00 0.00 55.69 52.81 3iwk s MET 426 Cb -0.15 -3.02 0.18 0.00 2.01 0.00 0.00 34.83 33.85 3iwk s MET 426 CO 0.01 -0.39 1.13 0.45 -0.01 0.00 0.00 175.02 176.21 3iwk s SER 427 N 1.35 -0.27 0.51 3.03 0.15 -1.26 -1.21 113.70 116.00 3iwk s SER 427 Ca 0.01 0.42 0.29 0.00 0.70 0.00 0.00 55.95 57.37 3iwk s SER 427 Cb -0.16 1.12 1.34 0.00 -1.71 0.00 0.00 66.02 66.60 3iwk s SER 427 CO -0.04 -0.07 2.00 0.78 1.20 0.00 0.00 173.24 177.11 3iwk h ASN 428 N 5.60 0.00 -3.51 5.45 2.35 -1.57 -3.40 115.58 120.51 3iwk h ASN 428 Ca -0.27 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.92 3iwk h ASN 428 Cb 1.17 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.47 3iwk h ASN 428 CO 0.21 0.12 0.96 -0.62 -1.65 0.00 0.00 177.43 176.45 3iwk s ASP 429 N -5.98 6.55 0.30 5.81 3.68 -1.26 -4.92 116.67 120.85 3iwk s ASP 429 Ca -0.01 0.36 0.09 0.00 2.13 0.00 0.00 52.55 55.12 3iwk s ASP 429 Cb 0.11 -2.55 0.47 0.00 -1.45 0.00 0.00 42.92 39.51 3iwk s ASP 429 CO 0.58 -1.35 1.69 -0.07 0.13 0.00 0.00 175.17 176.15 3iwk h LEU 430 N 11.55 0.09 -0.65 -1.34 4.07 -2.00 -2.84 115.31 124.19 3iwk h LEU 430 Ca -0.24 -0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.54 3iwk h LEU 430 Cb 1.06 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 3iwk h LEU 430 CO 1.15 0.57 -0.42 -0.33 -1.08 0.00 0.00 178.44 178.33 3iwk h GLU 431 N 0.07 0.57 -0.52 1.13 5.08 -1.96 -1.79 114.58 117.16 3iwk h GLU 431 Ca 0.00 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 3iwk h GLU 431 Cb 0.90 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3iwk h GLU 431 CO 0.07 0.89 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.78 3iwk h ARG 432 N 0.47 0.96 -0.05 2.33 2.43 -1.95 -2.54 114.38 116.02 3iwk h ARG 432 Ca 0.04 -0.33 0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3iwk h ARG 432 Cb 0.92 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3iwk h ARG 432 CO 0.08 1.00 0.00 0.00 -1.51 0.00 0.00 179.97 179.54 3iwk h GLU 434 N 0.02 0.91 -0.43 0.00 4.81 -1.31 0.16 114.58 118.74 3iwk h GLU 434 Ca 0.02 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3iwk h GLU 434 Cb 0.02 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 3iwk h GLU 434 CO -0.03 0.60 0.16 -0.09 -0.73 0.00 0.00 179.01 178.92 3iwk h ARG 435 N 0.94 0.32 -0.13 1.92 2.43 -1.23 -1.81 114.38 116.83 3iwk h ARG 435 Ca 0.30 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.27 3iwk h ARG 435 Cb 0.01 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3iwk h ARG 435 CO -0.11 0.21 -0.69 -0.07 -1.51 0.00 0.00 179.97 177.80 3iwk h LEU 436 N 0.33 0.63 -1.40 3.80 4.07 -0.89 -2.81 115.31 119.05 3iwk h LEU 436 Ca 0.20 -0.39 0.08 0.00 0.08 0.00 0.00 57.88 57.85 3iwk h LEU 436 Cb 0.18 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 3iwk h LEU 436 CO -0.20 1.14 0.48 0.77 -1.08 0.00 0.00 178.44 179.55 3iwk h SER 437 N 0.38 0.63 -0.05 -0.43 4.64 -0.31 0.24 113.55 118.65 3iwk h SER 437 Ca -0.02 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 3iwk h SER 437 Cb 1.27 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3iwk h SER 437 CO 0.13 0.39 -0.66 0.11 -0.87 0.00 0.00 176.83 175.93 3iwk h LYS 438 N 0.71 0.67 0.00 4.77 1.57 -1.28 -3.34 116.57 119.67 3iwk h LYS 438 Ca 0.33 -0.49 -0.15 0.00 -1.87 0.00 0.00 60.65 58.47 3iwk h LYS 438 Cb 0.36 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3iwk h LYS 438 CO -0.11 1.11 -0.84 0.00 -0.57 0.00 0.00 179.45 179.03 3iwk h ALA 439 N 0.77 0.61 -2.48 3.86 0.00 -0.98 -3.45 119.26 117.58 3iwk h ALA 439 Ca -0.02 -0.67 -0.53 0.00 0.00 0.00 0.00 54.91 53.69 3iwk h ALA 439 Cb 1.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.07 3iwk h ALA 439 CO 0.13 0.85 0.91 -0.51 0.00 0.00 0.00 179.25 180.64 3iwk s LEU 440 N -6.35 4.36 -1.15 0.00 1.43 0.73 -4.93 118.68 112.77 3iwk s LEU 440 Ca 0.02 2.43 -0.14 0.00 -1.03 0.00 0.00 54.13 55.41 3iwk s LEU 440 Cb 0.08 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.91 3iwk s LEU 440 CO 0.78 -0.82 1.34 -1.10 0.23 0.00 0.00 176.35 176.78 3iwk s GLN 441 N 2.11 4.03 0.18 1.70 -0.21 -1.26 -4.93 119.66 121.27 3iwk s GLN 441 Ca 0.70 -2.54 -0.18 0.00 0.02 0.00 0.00 55.36 53.36 3iwk s GLN 441 Cb -0.39 -4.97 0.03 0.00 1.00 0.00 0.00 33.01 28.69 3iwk s GLN 441 CO 0.31 -1.69 0.51 0.00 -2.12 0.00 0.00 175.29 172.29 3iwk s ALA 442 N 1.36 -1.00 -0.11 6.09 0.00 -1.26 -4.51 121.76 122.33 3iwk s ALA 442 Ca 0.39 -0.11 0.14 0.00 0.00 0.00 0.00 51.96 52.38 3iwk s ALA 442 Cb -0.04 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3iwk s ALA 442 CO -0.02 -0.77 1.31 0.78 0.00 0.00 0.00 175.76 177.05 3iwk h GLY 443 N 2.21 0.00 -5.83 0.00 0.00 -0.96 -3.45 103.07 95.05 3iwk h GLY 443 Ca -0.30 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.47 3iwk h GLY 443 CO 0.39 0.00 -0.83 -0.42 0.00 0.00 0.00 176.54 175.68 3iwk s ILE 444 N -2.91 1.39 -0.17 2.60 1.01 -0.77 -4.81 121.20 117.54 3iwk s ILE 444 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3iwk s ILE 444 Cb 0.08 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3iwk s ILE 444 CO 0.77 0.41 -0.20 -0.69 0.00 0.00 0.00 174.94 175.23 3iwk s VAL 445 N 0.73 2.12 -0.11 2.92 1.01 -1.26 -2.17 120.40 123.63 3iwk s VAL 445 Ca -0.13 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3iwk s VAL 445 Cb -0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3iwk s VAL 445 CO 0.03 0.54 0.24 0.26 0.00 0.00 0.00 175.10 176.17 3iwk s TRP 446 N 1.17 3.58 -0.22 5.22 0.51 0.50 -5.00 118.94 124.71 3iwk s TRP 446 Ca 0.02 0.64 -0.02 0.00 -2.12 0.00 0.00 56.10 54.62 3iwk s TRP 446 Cb -0.14 -2.15 0.01 0.00 -0.81 0.00 0.00 33.47 30.38 3iwk s TRP 446 CO -0.10 0.54 -0.09 0.42 -0.51 0.00 0.00 176.95 177.21 3iwk s ILE 447 N -0.52 2.88 -1.75 2.03 1.01 -1.26 -0.92 121.20 122.66 3iwk s ILE 447 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3iwk s ILE 447 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3iwk s ILE 447 CO 0.06 0.40 0.00 0.59 0.00 0.00 0.00 174.94 175.99 3iwk n ASN 448 N 4.72 -5.31 -2.54 3.58 3.02 0.60 -4.94 115.26 114.38 3iwk n ASN 448 Ca -0.19 0.19 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 3iwk n ASN 448 Cb 0.50 -4.40 0.02 0.00 -0.61 0.00 0.00 39.78 35.28 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 -1.81 -1.97 0.00 0.00 0.00 -1.26 -4.65 121.76 112.07 3iwk s ALA 450 Ca 0.15 2.39 0.00 0.00 0.00 0.00 0.00 51.96 54.49 3iwk s ALA 450 Cb -0.03 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3iwk s ALA 450 CO 0.07 -0.57 0.00 1.04 0.00 0.00 0.00 175.76 176.29 3iwk n GLN 451 N 4.68 0.00 -1.71 0.00 1.13 -1.26 -4.48 117.38 115.75 3iwk n GLN 451 Ca -0.17 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.46 3iwk n GLN 451 Cb 0.55 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.88 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3iwk n PRO 452 N -1.10 2.44 -3.86 -1.09 -0.02 -1.26 -4.96 135.00 125.14 3iwk n PRO 452 Ca 0.00 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 62.05 3iwk n PRO 452 Cb 0.00 -2.61 -0.14 0.00 -0.02 0.00 0.00 33.50 30.72 3iwk n PRO 452 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iwk s SER 453 N 0.52 4.24 0.13 2.55 1.04 -1.26 -5.10 113.70 115.82 3iwk s SER 453 Ca 0.68 -2.31 -0.27 0.00 0.48 0.00 0.00 55.95 54.52 3iwk s SER 453 Cb -0.56 -1.30 -0.07 0.00 0.10 0.00 0.00 66.02 64.18 3iwk s SER 453 CO 0.47 -0.33 0.84 -0.36 0.98 0.00 0.00 173.24 174.83 3iwk s PHE 454 N 0.71 3.86 -0.68 5.02 0.40 -1.26 -4.96 117.98 121.06 3iwk s PHE 454 Ca 0.13 1.68 0.19 0.00 -0.60 0.00 0.00 56.93 58.33 3iwk s PHE 454 Cb -0.21 -2.88 0.81 0.00 0.51 0.00 0.00 43.02 41.25 3iwk s PHE 454 CO -0.09 0.37 1.58 0.44 0.70 0.00 0.00 175.22 178.23 3iwk n ILE 455 N 2.16 0.96 0.45 0.64 -0.00 -1.26 -1.87 119.36 120.45 3iwk n ILE 455 Ca -0.02 0.28 0.12 0.00 -0.00 0.00 0.00 62.75 63.13 3iwk n ILE 455 Cb 0.49 -1.15 0.20 0.00 -0.00 0.00 0.00 39.64 39.17 3iwk n ILE 455 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3iwk h GLN 456 N 0.00 0.00 -5.95 6.28 7.50 -1.93 0.44 115.11 121.45 3iwk h GLN 456 Ca 0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 3iwk h GLN 456 Cb 0.28 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.67 3iwk h GLN 456 CO 0.00 0.00 -0.61 0.00 -1.50 0.00 0.00 178.83 176.72 3iwk s ALA 457 N -3.19 3.32 0.26 3.87 0.00 -0.78 -4.31 121.76 120.94 3iwk s ALA 457 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 3iwk s ALA 457 Cb 0.11 -1.51 -0.11 0.00 0.00 0.00 0.00 23.12 21.62 3iwk s ALA 457 CO 0.70 0.59 1.51 -1.25 0.00 0.00 0.00 175.76 177.30 3iwk s PRO 458 N -0.90 4.21 -0.05 0.00 0.04 -1.26 -4.18 135.00 132.85 3iwk s PRO 458 Ca 0.13 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.62 3iwk s PRO 458 Cb -0.11 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3iwk s PRO 458 CO 0.02 -0.51 -0.15 -0.46 0.04 0.00 0.00 177.00 175.95 3iwk s TRP 459 N 0.03 1.57 0.00 0.56 -0.11 0.95 -4.94 118.94 117.00 3iwk s TRP 459 Ca 0.61 -0.51 0.00 0.00 1.22 0.00 0.00 56.10 57.42 3iwk s TRP 459 Cb -0.44 -1.10 0.00 0.00 -1.50 0.00 0.00 33.47 30.43 3iwk s TRP 459 CO 0.45 -0.22 0.00 0.41 -4.62 0.00 0.00 176.95 172.97 3iwk n GLY 460 N 3.45 0.74 3.40 5.86 0.00 -1.26 -0.30 105.19 117.08 3iwk n GLY 460 Ca -0.20 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 3iwk n GLY 460 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwk n GLY 461 N -1.17 3.38 3.57 -0.02 0.00 -1.26 -3.91 105.19 105.78 3iwk n GLY 461 Ca 0.00 -2.34 -0.26 0.00 0.00 0.00 0.00 46.02 43.41 3iwk n GLY 461 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iwk s ILE 462 N -2.64 1.08 0.00 -0.61 -4.36 0.33 -4.02 121.20 110.98 3iwk s ILE 462 Ca 0.08 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 3iwk s ILE 462 Cb -0.01 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.19 3iwk s ILE 462 CO 0.05 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.52 3iwk n LYS 463 N -0.94 0.00 0.00 0.37 5.02 -1.26 -2.05 118.16 119.31 3iwk n LYS 463 Ca -0.08 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.30 3iwk n LYS 463 Cb 0.66 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 36.11 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 14.00 0.25 0.00 1.97 5.12 -0.67 -2.13 116.66 135.19 3iwk n ARG 464 Ca 0.00 0.12 0.14 0.00 -1.93 0.00 0.00 57.85 56.18 3iwk n ARG 464 Cb 0.00 -1.50 0.78 0.00 -1.16 0.00 0.00 32.46 30.58 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3iwk n SER 465 N -1.28 0.00 0.00 0.55 7.64 -0.87 -4.69 113.62 114.97 3iwk n SER 465 Ca 0.08 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.35 3iwk n SER 465 Cb 0.14 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.82 -0.09 3.78 0.23 0.00 -0.91 -1.15 105.19 107.87 3iwk n GLY 466 Ca 0.18 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.12 0.00 1.61 -0.71 -0.56 -3.87 117.98 114.33 3iwk s PHE 467 Ca 0.00 -0.22 0.00 0.00 -1.04 0.00 0.00 56.93 55.67 3iwk s PHE 467 Cb 0.00 0.66 0.00 0.00 -1.21 0.00 0.00 43.02 42.47 3iwk s PHE 467 CO 0.00 -0.91 0.00 0.41 -1.34 0.00 0.00 175.22 173.38 3iwk n GLY 468 N -0.48 -0.78 3.00 1.99 0.00 -1.26 -1.54 105.19 106.11 3iwk n GLY 468 Ca -0.06 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.78 0.61 0.37 1.61 1.81 -1.26 -4.40 118.95 114.91 3iwk s ARG 469 Ca 0.00 -0.29 0.08 0.00 -1.72 0.00 0.00 55.73 53.80 3iwk s ARG 469 Cb 0.00 -0.59 -0.05 0.00 -0.45 0.00 0.00 34.95 33.86 3iwk s ARG 469 CO 0.00 0.16 0.12 -1.21 -0.68 0.00 0.00 175.30 173.69 3iwk s GLU 470 N -0.22 2.23 0.22 3.54 2.02 0.59 -3.65 118.70 123.44 3iwk s GLU 470 Ca 0.03 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.28 3iwk s GLU 470 Cb -0.03 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3iwk s GLU 470 CO -0.00 0.02 0.00 1.28 0.02 0.00 0.00 175.26 176.57 3iwk n LEU 471 N -1.14 -0.38 0.00 1.80 4.77 -1.26 -0.04 117.00 120.76 3iwk n LEU 471 Ca -0.02 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 3iwk n LEU 471 Cb 0.63 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3iwk n LEU 471 CO 0.44 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 3iwk n GLY 472 N -2.89 0.92 0.18 -0.72 0.00 0.15 -1.46 105.19 101.36 3iwk n GLY 472 Ca -0.03 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.45 1.61 5.08 -1.87 -3.20 114.58 115.75 3iwk h GLU 473 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3iwk h GLU 473 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3iwk h GLU 473 CO 0.00 0.00 0.21 -1.49 -1.00 0.00 0.00 179.01 176.73 3iwk h TRP 474 N 0.00 0.65 -0.97 4.33 4.06 -1.87 -0.32 115.95 121.83 3iwk h TRP 474 Ca 0.00 -0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.93 3iwk h TRP 474 Cb 0.77 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.68 3iwk h TRP 474 CO 0.00 0.52 0.64 0.78 -3.56 0.00 0.00 178.44 176.82 3iwk h GLY 475 N 0.58 1.37 0.99 1.49 0.00 -1.25 -1.71 103.07 104.55 3iwk h GLY 475 Ca 0.15 -0.50 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3iwk h GLY 475 CO -0.02 0.48 0.01 -2.00 0.00 0.00 0.00 176.54 175.00 3iwk h LEU 476 N 1.29 0.80 -1.58 3.11 6.46 -1.60 -3.10 115.31 120.69 3iwk h LEU 476 Ca 0.36 -0.30 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 3iwk h LEU 476 Cb -0.11 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 3iwk h LEU 476 CO -0.09 0.91 -0.22 -0.08 -0.62 0.00 0.00 178.44 178.34 3iwk h GLU 477 N 0.67 0.00 0.00 1.25 4.57 -0.56 -2.11 114.58 118.41 3iwk h GLU 477 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3iwk h GLU 477 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3iwk h GLU 477 CO 0.02 0.22 0.00 -0.97 -1.18 0.00 0.00 179.01 177.10 3iwk h ASN 478 N 0.00 0.00 -0.12 1.04 -1.24 -1.24 -2.39 115.58 111.62 3iwk h ASN 478 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3iwk h ASN 478 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 3iwk h ASN 478 CO 0.03 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.95 3iwk n TYR 479 N -2.41 0.21 -4.41 0.67 4.02 -0.80 -5.00 117.16 109.44 3iwk n TYR 479 Ca -0.00 -0.60 -0.31 0.00 -0.01 0.00 0.00 57.90 56.97 3iwk n TYR 479 Cb 0.12 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.43 2.98 0.00 7.72 1.43 -0.90 -1.32 118.68 127.16 3iwk s LEU 480 Ca 0.15 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3iwk s LEU 480 Cb 0.10 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3iwk s LEU 480 CO 0.05 0.23 -0.07 -0.55 0.23 0.00 0.00 176.35 176.25 3iwk s SER 481 N -1.75 4.63 -0.22 2.29 0.15 0.19 -4.75 113.70 114.24 3iwk s SER 481 Ca 0.18 -0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.56 3iwk s SER 481 Cb -0.11 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 3iwk s SER 481 CO 0.10 0.28 0.29 -0.69 1.20 0.00 0.00 173.24 174.41 3iwk s VAL 482 N -0.99 5.27 -0.19 4.45 1.01 -1.26 -1.04 120.40 127.65 3iwk s VAL 482 Ca 0.17 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 3iwk s VAL 482 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3iwk s VAL 482 CO 0.07 0.29 -0.11 -0.75 0.00 0.00 0.00 175.10 174.60 3iwk s LYS 483 N 1.21 3.23 -0.13 2.72 2.20 0.12 -4.97 119.74 124.13 3iwk s LYS 483 Ca 0.13 -0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 54.78 3iwk s LYS 483 Cb -0.14 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 3iwk s LYS 483 CO 0.06 -0.15 0.80 -1.14 -0.36 0.00 0.00 175.35 174.57 3iwk s GLN 484 N 1.25 4.35 -0.26 4.03 0.74 -1.26 0.21 119.66 128.73 3iwk s GLN 484 Ca 0.03 1.01 0.01 0.00 0.05 0.00 0.00 55.36 56.46 3iwk s GLN 484 Cb -0.14 -3.53 0.05 0.00 1.10 0.00 0.00 33.01 30.49 3iwk s GLN 484 CO -0.05 -0.20 -0.08 0.08 -0.55 0.00 0.00 175.29 174.48 3iwk s VAL 485 N 1.69 2.44 -0.15 1.34 1.01 0.31 -4.97 120.40 122.07 3iwk s VAL 485 Ca 0.39 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 60.92 3iwk s VAL 485 Cb -0.17 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3iwk s VAL 485 CO 0.15 0.01 -0.21 -0.89 0.00 0.00 0.00 175.10 174.16 3iwk s THR 486 N 1.17 2.04 -0.10 3.92 2.01 -1.26 -1.25 115.64 122.17 3iwk s THR 486 Ca -0.06 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.01 3iwk s THR 486 Cb -0.19 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 3iwk s THR 486 CO -0.04 0.54 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.63 3iwk s ARG 487 N 0.95 3.00 -0.20 4.92 3.52 0.19 -4.97 118.95 126.36 3iwk s ARG 487 Ca -0.04 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 3iwk s ARG 487 Cb -0.15 -2.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.86 3iwk s ARG 487 CO -0.05 0.28 1.04 -0.47 -0.81 0.00 0.00 175.30 175.29 3iwk s TYR 488 N 0.14 3.36 -0.43 5.12 5.04 -1.26 -0.64 117.35 128.67 3iwk s TYR 488 Ca -0.10 1.48 0.17 0.00 -2.44 0.00 0.00 57.07 56.18 3iwk s TYR 488 Cb -0.16 -3.26 -0.22 0.00 0.35 0.00 0.00 41.96 38.67 3iwk s TYR 488 CO 0.06 -0.48 0.56 -2.37 -1.34 0.00 0.00 175.55 171.98 3iwk n THR 489 N 5.14 0.00 -2.24 4.34 5.66 0.14 -4.97 114.28 122.34 3iwk n THR 489 Ca 0.11 -0.24 -0.32 0.00 -3.05 0.00 0.00 64.05 60.55 3iwk n THR 489 Cb 0.47 0.58 -0.02 0.00 -1.55 0.00 0.00 70.33 69.81 3iwk n THR 489 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3iwk s SER 490 N -3.25 6.38 0.00 1.09 0.15 -1.17 -4.97 113.70 111.93 3iwk s SER 490 Ca 0.00 1.60 0.25 0.00 0.70 0.00 0.00 55.95 58.50 3iwk s SER 490 Cb 0.12 -2.51 0.40 0.00 -1.71 0.00 0.00 66.02 62.33 3iwk s SER 490 CO 0.71 -0.75 1.38 -0.67 1.20 0.00 0.00 173.24 175.10 3iwk n ASP 491 N -1.85 2.53 -4.79 5.45 2.03 -1.26 -4.95 116.55 113.71 3iwk n ASP 491 Ca 0.07 -1.83 -0.35 0.00 0.52 0.00 0.00 54.79 53.20 3iwk n ASP 491 Cb 0.54 0.03 -0.05 0.00 -0.72 0.00 0.00 41.12 40.92 3iwk n ASP 491 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3iwk s GLU 492 N -2.04 4.14 0.61 -0.67 0.41 -1.26 -5.05 118.70 114.85 3iwk s GLU 492 Ca 0.30 1.40 -0.17 0.00 -0.41 0.00 0.00 54.97 56.08 3iwk s GLU 492 Cb 0.20 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 30.11 3iwk s GLU 492 CO 0.33 -0.14 1.15 -1.25 -0.49 0.00 0.00 175.26 174.86 3iwk s PRO 493 N -2.71 2.95 0.34 0.39 0.04 -1.26 -4.95 135.00 129.80 3iwk s PRO 493 Ca 0.60 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.27 3iwk s PRO 493 Cb -0.18 -1.95 0.61 0.00 0.04 0.00 0.00 34.50 33.02 3iwk s PRO 493 CO 0.23 -1.18 2.00 2.35 0.04 0.00 0.00 177.00 180.45 3iwk h TRP 494 N 0.59 0.82 -0.33 0.56 -0.00 -1.99 -3.46 115.95 112.15 3iwk h TRP 494 Ca -0.49 0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 58.28 3iwk h TRP 494 Cb 1.27 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.16 30.10 3iwk h TRP 494 CO 0.50 0.52 -0.13 0.41 -0.00 0.00 0.00 178.44 179.75 3iwk n GLY 495 N -1.42 0.90 0.09 2.65 0.00 -1.26 -4.92 105.19 101.23 3iwk n GLY 495 Ca 0.07 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 3iwk n GLY 495 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3iwk h TRP 496 N 0.00 0.21 -2.72 1.61 2.91 -2.04 -3.47 115.95 112.44 3iwk h TRP 496 Ca -0.14 -0.15 -0.53 0.00 1.13 0.00 0.00 58.89 59.20 3iwk h TRP 496 Cb 0.52 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 3iwk h TRP 496 CO 0.24 1.16 -0.38 0.71 -1.03 0.00 0.00 178.44 179.14 3iwk s TYR 497 N -2.31 3.48 -0.28 2.65 2.02 -1.26 -5.06 117.35 116.59 3iwk s TYR 497 Ca -0.18 0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.48 3iwk s TYR 497 Cb -0.01 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3iwk s TYR 497 CO 0.74 0.42 1.24 -1.14 -1.57 0.00 0.00 175.55 175.24 3iwk s GLN 498 N -3.35 4.01 0.53 -0.62 2.00 -1.26 -5.01 119.66 115.95 3iwk s GLN 498 Ca 0.37 1.28 -0.20 0.00 -2.00 0.00 0.00 55.36 54.81 3iwk s GLN 498 Cb -0.11 -3.83 -0.06 0.00 0.80 0.00 0.00 33.01 29.81 3iwk s GLN 498 CO 0.29 -1.00 1.15 -2.14 -0.50 0.00 0.00 175.29 173.09 3iwk s PRO 499 N 3.93 3.42 0.36 1.67 0.02 -1.26 -5.00 135.00 138.14 3iwk s PRO 499 Ca 0.53 1.69 -0.25 0.00 0.02 0.00 0.00 61.00 62.99 3iwk s PRO 499 Cb -0.16 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 3iwk s PRO 499 CO 0.20 -0.81 0.99 -1.25 -0.33 0.00 0.00 177.00 175.79 3iwk s PRO 500 N -3.13 4.41 0.00 5.54 0.04 -1.26 -5.29 135.00 135.31 3iwk s PRO 500 Ca 0.71 1.40 0.29 0.00 0.04 0.00 0.00 61.00 63.44 3iwk s PRO 500 Cb -0.26 -2.67 1.74 0.00 0.04 0.00 0.00 34.50 33.35 3iwk s PRO 500 CO 0.30 0.10 2.07 0.43 0.04 0.00 0.00 177.00 179.94