#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 2.72 0.00 1.43 0.52 -1.26 -5.14 118.95 117.22 3iwk s ARG 8 Ca 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 3iwk s ARG 8 Cb 0.00 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3iwk s ARG 8 CO 0.00 -0.23 0.00 1.04 0.02 0.00 0.00 175.30 176.13 3iwk n GLN 9 N -1.72 3.81 -2.83 3.54 1.13 -1.26 -4.63 117.38 115.41 3iwk n GLN 9 Ca 0.06 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.72 3iwk n GLN 9 Cb 0.60 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.90 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iwk s LEU 10 N 0.00 4.57 -0.53 1.08 1.43 -0.73 -4.89 118.68 119.61 3iwk s LEU 10 Ca 0.00 1.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 3iwk s LEU 10 Cb 0.00 -3.47 0.09 0.00 0.03 0.00 0.00 46.19 42.83 3iwk s LEU 10 CO 0.00 0.10 0.57 0.12 0.23 0.00 0.00 176.35 177.37 3iwk s PHE 11 N -0.74 3.12 -0.05 0.29 5.36 -0.90 -0.72 117.98 124.33 3iwk s PHE 11 Ca 0.41 -0.89 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 3iwk s PHE 11 Cb -0.24 -3.64 0.02 0.00 -0.34 0.00 0.00 43.02 38.82 3iwk s PHE 11 CO 0.29 -1.05 -0.08 0.42 -1.46 0.00 0.00 175.22 173.33 3iwk s ILE 12 N 2.23 0.83 -1.38 3.12 1.01 -0.73 0.01 121.20 126.29 3iwk s ILE 12 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 3iwk s ILE 12 Cb -0.24 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.47 3iwk s ILE 12 CO 0.07 0.29 0.98 -0.67 0.00 0.00 0.00 174.94 175.61 3iwk n ASP 13 N 3.86 -3.96 0.00 3.58 2.03 -1.26 -2.58 116.55 118.22 3iwk n ASP 13 Ca -0.24 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.38 3iwk n ASP 13 Cb 0.51 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 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 -1.67 0.61 3.59 0.27 0.00 -1.26 -4.46 105.19 102.27 3iwk n GLY 14 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3iwk n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iwk s GLU 15 N -0.11 1.62 -0.11 1.61 -1.05 -1.07 -4.89 118.70 114.70 3iwk s GLU 15 Ca 0.00 -1.31 -0.26 0.00 -0.15 0.00 0.00 54.97 53.26 3iwk s GLU 15 Cb 0.00 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 3iwk s GLU 15 CO 0.00 -0.68 0.82 -1.58 0.95 0.00 0.00 175.26 174.77 3iwk s TRP 16 N -3.85 3.50 -0.07 4.83 0.52 -1.26 -1.77 118.94 120.85 3iwk s TRP 16 Ca 0.23 1.33 0.04 0.00 0.02 0.00 0.00 56.10 57.72 3iwk s TRP 16 Cb -0.01 -2.98 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 3iwk s TRP 16 CO 0.10 -0.11 -0.18 1.03 0.02 0.00 0.00 176.95 177.81 3iwk s ARG 17 N 1.59 2.17 0.24 4.98 1.81 0.10 -4.96 118.95 124.89 3iwk s ARG 17 Ca 0.40 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.47 3iwk s ARG 17 Cb -0.18 -1.76 -0.09 0.00 -0.45 0.00 0.00 34.95 32.47 3iwk s ARG 17 CO 0.16 0.17 1.20 0.08 -0.68 0.00 0.00 175.30 176.23 3iwk s VAL 18 N 0.30 3.35 0.23 3.52 1.01 -1.26 -1.77 120.40 125.78 3iwk s VAL 18 Ca -0.11 1.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.79 3iwk s VAL 18 Cb -0.15 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.31 3iwk s VAL 18 CO 0.05 0.25 1.33 -0.81 0.00 0.00 0.00 175.10 175.92 3iwk n PRO 19 N 1.78 1.82 -0.13 2.72 -0.04 -1.26 -4.89 135.00 134.99 3iwk n PRO 19 Ca 0.02 0.65 -0.05 0.00 -0.04 0.00 0.00 63.50 64.07 3iwk n PRO 19 Cb 0.44 -2.25 0.01 0.00 -0.04 0.00 0.00 33.50 31.65 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3iwk h ILE 20 N 2.91 0.34 0.00 0.52 1.08 -1.93 -1.16 117.51 119.26 3iwk h ILE 20 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3iwk h ILE 20 Cb 1.29 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3iwk h ILE 20 CO 0.73 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 178.37 3iwk n LEU 21 N -5.40 0.00 -3.77 1.44 4.32 -1.26 -4.94 117.00 107.39 3iwk n LEU 21 Ca 0.03 0.41 -0.26 0.00 -0.02 0.00 0.00 56.01 56.16 3iwk n LEU 21 Cb 0.31 -0.41 0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3iwk n LEU 21 CO 0.09 -0.01 0.11 -3.20 -1.22 0.00 0.00 177.39 173.16 3iwk n ASN 22 N -1.41 -4.41 -4.95 -1.43 5.15 -0.44 -5.00 115.26 102.77 3iwk n ASN 22 Ca 0.10 -0.71 -0.25 0.00 -0.60 0.00 0.00 54.58 53.12 3iwk n ASN 22 Cb 0.29 -4.29 -0.03 0.00 -0.53 0.00 0.00 39.78 35.23 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 -6.35 3.47 0.02 1.20 -0.14 -1.26 -5.05 119.74 111.63 3iwk s LYS 23 Ca 0.49 -0.55 0.01 0.00 -1.36 0.00 0.00 55.97 54.56 3iwk s LYS 23 Cb -0.24 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.02 3iwk s LYS 23 CO 0.80 0.43 -0.05 1.03 -0.76 0.00 0.00 175.35 176.79 3iwk s ARG 24 N -3.57 0.38 -0.19 1.68 0.52 -1.26 -1.76 118.95 114.74 3iwk s ARG 24 Ca 0.36 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.96 3iwk s ARG 24 Cb -0.10 -0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.22 3iwk s ARG 24 CO 0.30 0.01 -0.01 0.42 0.02 0.00 0.00 175.30 176.04 3iwk s ILE 25 N -1.13 3.98 0.34 1.52 1.01 0.11 -4.89 121.20 122.14 3iwk s ILE 25 Ca -0.10 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 3iwk s ILE 25 Cb -0.08 -2.78 -0.10 0.00 0.01 0.00 0.00 42.46 39.50 3iwk s ILE 25 CO -0.00 0.45 1.37 -2.84 0.00 0.00 0.00 174.94 173.92 3iwk s PRO 26 N 0.79 4.27 -0.29 2.79 0.02 -1.26 -0.31 135.00 141.02 3iwk s PRO 26 Ca 0.00 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.31 3iwk s PRO 26 Cb -0.14 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.37 3iwk s PRO 26 CO 0.02 -0.31 0.02 1.21 -0.33 0.00 0.00 177.00 177.62 3iwk s ASN 27 N -0.32 4.87 0.08 2.53 2.47 -0.07 -4.88 114.94 119.62 3iwk s ASN 27 Ca 0.51 -0.98 -0.22 0.00 0.42 0.00 0.00 52.86 52.60 3iwk s ASN 27 Cb -0.42 -1.77 -0.07 0.00 -1.45 0.00 0.00 41.25 37.54 3iwk s ASN 27 CO 0.55 -0.22 0.64 -0.63 -3.72 0.00 0.00 177.10 173.73 3iwk s ILE 28 N 1.37 4.66 -0.35 -5.21 -1.09 -1.26 -1.49 121.20 117.83 3iwk s ILE 28 Ca -0.01 1.38 -0.29 0.00 -2.23 0.00 0.00 60.65 59.51 3iwk s ILE 28 Cb -0.18 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.73 3iwk s ILE 28 CO -0.00 0.51 1.08 0.21 -1.23 0.00 0.00 174.94 175.51 3iwk s ASN 29 N -0.90 6.86 0.33 3.58 3.04 -0.58 -4.92 114.94 122.36 3iwk s ASN 29 Ca 0.32 0.92 0.25 0.00 0.04 0.00 0.00 52.86 54.39 3iwk s ASN 29 Cb -0.20 -2.54 1.17 0.00 -1.54 0.00 0.00 41.25 38.13 3iwk s ASN 29 CO 0.21 -0.95 1.76 1.55 -3.04 0.00 0.00 177.10 176.63 3iwk h PRO 30 N 8.33 0.00 0.00 0.43 0.13 -1.80 0.13 132.00 139.22 3iwk h PRO 30 Ca -0.21 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.71 3iwk h PRO 30 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3iwk h PRO 30 CO 1.05 0.00 -1.20 1.03 -0.23 0.00 0.00 178.00 178.65 3iwk h SER 31 N 0.00 0.00 0.00 1.44 0.87 -1.91 -1.11 113.55 112.84 3iwk h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3iwk h SER 31 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3iwk h SER 31 CO 0.00 0.86 -0.97 0.35 -0.53 0.00 0.00 176.83 176.54 3iwk n THR 32 N -3.17 0.00 -0.92 2.23 -2.24 -1.07 -3.69 114.28 105.43 3iwk n THR 32 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3iwk n THR 32 Cb 0.93 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.58 0.00 -3.13 -0.78 1.02 0.45 -4.36 120.64 112.25 3iwk n GLU 33 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3iwk n GLU 33 Cb 0.13 -2.39 -0.05 0.00 -0.02 0.00 0.00 31.44 29.10 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 -2.78 6.66 0.25 1.62 0.01 -1.25 -4.82 114.94 114.62 3iwk s ASN 34 Ca 0.00 1.14 -0.30 0.00 -0.71 0.00 0.00 52.86 52.99 3iwk s ASN 34 Cb 0.00 -2.32 -0.09 0.00 0.41 0.00 0.00 41.25 39.25 3iwk s ASN 34 CO 0.00 -0.23 1.29 -0.63 -1.51 0.00 0.00 177.10 176.02 3iwk s ILE 35 N -2.05 3.08 0.00 0.60 1.01 -1.26 -1.53 121.20 121.04 3iwk s ILE 35 Ca 0.52 0.97 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3iwk s ILE 35 Cb -0.10 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3iwk s ILE 35 CO 0.22 0.18 0.31 0.00 0.00 0.00 0.00 174.94 175.65 3iwk n ILE 36 N 1.90 0.01 -1.81 2.92 0.13 -0.56 -4.90 119.36 117.06 3iwk n ILE 36 Ca 0.03 -0.30 0.00 0.00 -1.10 0.00 0.00 62.75 61.38 3iwk n ILE 36 Cb 0.43 1.39 0.00 0.00 -0.84 0.00 0.00 39.64 40.62 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3iwk n GLY 37 N -0.01 -1.71 3.27 4.50 0.00 -1.24 -5.02 105.19 104.98 3iwk n GLY 37 Ca 0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.09 0.12 -0.03 1.61 1.47 -1.26 -0.89 116.67 115.60 3iwk s ASP 38 Ca 0.00 -1.28 0.02 0.00 1.18 0.00 0.00 52.55 52.46 3iwk s ASP 38 Cb 0.00 0.41 0.01 0.00 -0.34 0.00 0.00 42.92 43.00 3iwk s ASP 38 CO 0.00 -0.88 -0.06 -0.63 0.68 0.00 0.00 175.17 174.28 3iwk s ILE 39 N -4.12 0.56 0.22 2.11 -1.09 0.58 -4.72 121.20 114.74 3iwk s ILE 39 Ca 0.34 -0.21 -0.31 0.00 -2.23 0.00 0.00 60.65 58.25 3iwk s ILE 39 Cb 0.06 -0.54 -0.10 0.00 -1.58 0.00 0.00 42.46 40.29 3iwk s ILE 39 CO 0.10 0.20 1.54 -2.16 -1.23 0.00 0.00 174.94 173.39 3iwk s PRO 40 N 0.47 4.21 -0.66 2.79 0.04 -1.26 0.04 135.00 140.63 3iwk s PRO 40 Ca -0.06 2.39 -0.14 0.00 0.04 0.00 0.00 61.00 63.22 3iwk s PRO 40 Cb -0.10 -3.11 0.17 0.00 0.04 0.00 0.00 34.50 31.49 3iwk s PRO 40 CO 0.00 -0.55 0.60 0.00 0.04 0.00 0.00 177.00 177.09 3iwk s ALA 41 N 0.57 3.82 0.47 8.56 0.00 -0.73 -3.63 121.76 130.82 3iwk s ALA 41 Ca 0.65 -2.89 -0.22 0.00 0.00 0.00 0.00 51.96 49.50 3iwk s ALA 41 Cb -0.44 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 3iwk s ALA 41 CO 0.38 -2.12 1.13 0.00 0.00 0.00 0.00 175.76 175.15 3iwk s ALA 42 N 0.93 2.92 0.47 0.00 0.00 0.72 -4.53 121.76 122.28 3iwk s ALA 42 Ca 0.10 0.86 0.04 0.00 0.00 0.00 0.00 51.96 52.95 3iwk s ALA 42 Cb -0.21 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3iwk s ALA 42 CO -0.02 -0.60 0.02 -0.08 0.00 0.00 0.00 175.76 175.07 3iwk s THR 43 N -1.64 1.52 0.27 0.00 -1.32 -1.26 -3.92 115.64 109.29 3iwk s THR 43 Ca 0.65 -1.98 -0.01 0.00 -1.21 0.00 0.00 61.69 59.13 3iwk s THR 43 Cb -0.26 -2.51 0.39 0.00 -1.51 0.00 0.00 72.50 68.61 3iwk s THR 43 CO 0.31 0.00 1.39 1.17 -2.21 0.00 0.00 174.62 175.28 3iwk n LYS 44 N -1.16 -0.07 0.12 7.08 3.00 -1.26 -0.79 118.16 125.08 3iwk n LYS 44 Ca -0.13 1.35 -0.02 0.00 -0.00 0.00 0.00 58.31 59.51 3iwk n LYS 44 Cb 0.67 -2.10 0.20 0.00 0.00 0.00 0.00 35.03 33.80 3iwk n LYS 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3iwk h GLU 45 N 0.00 0.11 -0.31 1.64 5.08 -1.99 -1.87 114.58 117.25 3iwk h GLU 45 Ca 0.50 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.64 3iwk h GLU 45 Cb 0.95 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3iwk h GLU 45 CO -0.86 0.61 -0.40 -0.44 -1.00 0.00 0.00 179.01 176.92 3iwk h ASP 46 N 0.09 0.88 -0.67 1.42 3.45 -1.34 -3.06 116.42 117.19 3iwk h ASP 46 Ca -0.00 -0.50 -0.01 0.00 0.43 0.00 0.00 57.03 56.96 3iwk h ASP 46 Cb 0.96 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.45 3iwk h ASP 46 CO 0.07 1.21 0.39 0.58 -1.57 0.00 0.00 179.24 179.92 3iwk h VAL 47 N 0.59 1.20 -0.55 -1.35 2.07 -1.15 -2.12 116.25 114.94 3iwk h VAL 47 Ca 0.04 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3iwk h VAL 47 Cb 0.99 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3iwk h VAL 47 CO 0.09 0.21 0.19 0.44 0.02 0.00 0.00 177.57 178.53 3iwk h ASP 48 N 0.91 0.18 -0.47 0.57 5.19 -1.35 -0.22 116.42 121.23 3iwk h ASP 48 Ca 0.24 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3iwk h ASP 48 Cb -0.01 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 3iwk h ASP 48 CO -0.04 0.12 0.30 -0.07 -3.12 0.00 0.00 179.24 176.43 3iwk h LEU 49 N 0.37 0.55 -0.71 1.55 3.38 -1.35 -1.10 115.31 118.00 3iwk h LEU 49 Ca 0.27 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.23 3iwk h LEU 49 Cb 0.32 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3iwk h LEU 49 CO -0.28 0.41 0.46 0.00 0.09 0.00 0.00 178.44 179.12 3iwk h ALA 50 N 1.16 0.91 -0.32 1.53 0.00 -0.80 -1.08 119.26 120.67 3iwk h ALA 50 Ca 0.17 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 50 Cb -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3iwk h ALA 50 CO -0.04 0.28 -0.49 0.28 0.00 0.00 0.00 179.25 179.28 3iwk h VAL 51 N 0.92 1.27 -0.61 0.00 2.07 -0.79 -1.46 116.25 117.65 3iwk h VAL 51 Ca 0.27 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3iwk h VAL 51 Cb -0.05 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3iwk h VAL 51 CO -0.08 0.55 0.39 0.44 0.02 0.00 0.00 177.57 178.89 3iwk h ASP 52 N 0.69 0.71 -0.75 0.57 3.32 -1.04 0.12 116.42 120.04 3iwk h ASP 52 Ca 0.03 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3iwk h ASP 52 Cb 1.09 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3iwk h ASP 52 CO 0.11 0.52 0.28 0.00 -1.72 0.00 0.00 179.24 178.43 3iwk h ALA 53 N 1.21 1.05 -0.52 3.45 0.00 -1.07 -0.18 119.26 123.21 3iwk h ALA 53 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3iwk h ALA 53 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3iwk h ALA 53 CO -0.05 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 3iwk h ALA 54 N 1.18 0.72 -0.76 0.00 0.00 -0.91 -1.44 119.26 118.05 3iwk h ALA 54 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 54 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3iwk h ALA 54 CO -0.02 0.62 0.36 0.87 0.00 0.00 0.00 179.25 181.08 3iwk h LYS 55 N 0.86 1.10 -0.33 0.00 1.79 -0.45 -3.01 116.57 116.52 3iwk h LYS 55 Ca 0.14 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 58.31 3iwk h LYS 55 Cb 0.66 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 3iwk h LYS 55 CO 0.05 0.86 -0.30 0.00 -1.08 0.00 0.00 179.45 178.98 3iwk h ARG 56 N 1.07 0.70 0.00 3.15 3.08 -0.92 -3.01 114.38 118.45 3iwk h ARG 56 Ca 0.26 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3iwk h ARG 56 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3iwk h ARG 56 CO -0.03 0.91 -0.06 0.00 -1.07 0.00 0.00 179.97 179.72 3iwk h ALA 57 N 1.07 1.39 -0.13 0.04 0.00 -1.13 -2.35 119.26 118.15 3iwk h ALA 57 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 57 Cb 0.81 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3iwk h ALA 57 CO 0.07 0.08 -0.08 0.44 0.00 0.00 0.00 179.25 179.76 3iwk n ILE 58 N -3.73 2.15 -2.35 0.00 -5.35 -1.19 -4.36 119.36 104.53 3iwk n ILE 58 Ca -0.02 -2.35 -0.42 0.00 -0.27 0.00 0.00 62.75 59.69 3iwk n ILE 58 Cb 0.16 -0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 37.78 3iwk n ILE 58 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3iwk s SER 59 N -2.59 7.00 0.00 7.28 0.15 -0.89 -4.66 113.70 120.00 3iwk s SER 59 Ca 0.38 2.07 0.00 0.00 0.70 0.00 0.00 55.95 59.09 3iwk s SER 59 Cb 0.33 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 3iwk s SER 59 CO 0.03 -0.54 0.00 0.54 1.20 0.00 0.00 173.24 174.47 3iwk n ARG 60 N 4.21 0.00 -0.24 5.44 5.12 -1.26 0.17 116.66 130.10 3iwk n ARG 60 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 3iwk n ARG 60 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 3iwk n ARG 60 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3iwk n LYS 61 N -0.03 -0.94 -1.87 5.56 4.01 -1.26 -4.85 118.16 118.78 3iwk n LYS 61 Ca 0.00 0.08 -0.41 0.00 -0.51 0.00 0.00 58.31 57.47 3iwk n LYS 61 Cb 0.00 -2.68 -0.03 0.00 -0.51 0.00 0.00 35.03 31.81 3iwk n LYS 61 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3iwk s ASN 62 N -0.64 5.40 0.80 4.39 0.01 0.13 -4.44 114.94 120.59 3iwk s ASN 62 Ca 0.00 1.12 0.00 0.00 -0.71 0.00 0.00 52.86 53.27 3iwk s ASN 62 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 3iwk s ASN 62 CO 0.00 -2.13 0.00 0.61 -1.51 0.00 0.00 177.10 174.07 3iwk n GLY 63 N 5.65 1.97 2.61 0.66 0.00 -1.26 -4.33 105.19 110.49 3iwk n GLY 63 Ca 0.26 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3iwk n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3iwk n ARG 64 N 9.59 4.60 0.00 1.61 0.63 -1.26 -4.93 116.66 126.89 3iwk n ARG 64 Ca 0.00 -3.78 0.00 0.00 -0.92 0.00 0.00 57.85 53.15 3iwk n ARG 64 Cb 0.00 -2.64 0.00 0.00 0.45 0.00 0.00 32.46 30.27 3iwk n ARG 64 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3iwk n ASP 65 N 1.70 0.00 0.00 6.15 8.00 -1.26 -4.81 116.55 126.33 3iwk n ASP 65 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.03 3iwk n ASP 65 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3iwk n ASP 65 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3iwk n TRP 66 N -1.51 0.00 0.22 1.24 -0.00 -1.26 -4.22 117.44 111.91 3iwk n TRP 66 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.59 3iwk n TRP 66 Cb 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 31.31 31.74 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 -0.01 5.87 4.64 -1.83 -2.82 113.55 119.41 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 0.25 -0.74 0.00 -0.87 0.00 0.00 176.83 175.47 3iwk n ALA 68 N -2.24 4.17 -1.60 5.18 0.00 -1.26 -4.91 120.51 119.85 3iwk n ALA 68 Ca 0.00 -0.62 -0.35 0.00 0.00 0.00 0.00 53.44 52.47 3iwk n ALA 68 Cb 0.44 -0.77 0.06 0.00 0.00 0.00 0.00 19.45 19.18 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk s ALA 69 N -2.72 2.38 0.78 0.00 0.00 -1.07 -4.99 121.76 116.15 3iwk s ALA 69 Ca 0.13 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 3iwk s ALA 69 Cb 0.17 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.90 3iwk s ALA 69 CO 0.72 -1.45 1.22 -1.54 0.00 0.00 0.00 175.76 174.70 3iwk s SER 70 N -1.81 3.75 0.43 0.00 1.04 -1.26 -4.92 113.70 110.94 3iwk s SER 70 Ca 0.76 2.39 0.12 0.00 0.48 0.00 0.00 55.95 59.70 3iwk s SER 70 Cb -0.30 -2.59 0.93 0.00 0.10 0.00 0.00 66.02 64.16 3iwk s SER 70 CO 0.38 -2.56 1.99 1.23 0.98 0.00 0.00 173.24 175.26 3iwk h GLY 71 N -0.69 0.17 1.63 7.32 0.00 -1.93 -3.01 103.07 106.56 3iwk h GLY 71 Ca -0.47 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 3iwk h GLY 71 CO 0.47 0.09 -0.55 1.48 0.00 0.00 0.00 176.54 178.03 3iwk h SER 72 N 0.15 0.43 0.04 0.19 4.64 -1.85 -1.66 113.55 115.50 3iwk h SER 72 Ca 0.03 -0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3iwk h SER 72 Cb 0.26 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3iwk h SER 72 CO 0.01 0.89 -0.02 0.25 -0.87 0.00 0.00 176.83 177.09 3iwk h LEU 73 N 0.30 -0.05 -1.21 5.97 5.85 -1.91 -1.70 115.31 122.56 3iwk h LEU 73 Ca 0.01 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.41 3iwk h LEU 73 Cb 1.05 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 3iwk h LEU 73 CO 0.09 0.36 0.56 0.03 -0.34 0.00 0.00 178.44 179.14 3iwk h ARG 74 N -0.47 0.92 -0.91 1.25 3.08 -1.55 -0.91 114.38 115.79 3iwk h ARG 74 Ca -0.01 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.01 3iwk h ARG 74 Cb 0.42 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3iwk h ARG 74 CO 0.01 0.61 0.60 0.00 -1.07 0.00 0.00 179.97 180.12 3iwk h ALA 75 N 1.54 1.17 -0.79 0.04 0.00 -1.19 -1.96 119.26 118.07 3iwk h ALA 75 Ca 0.37 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3iwk h ALA 75 Cb 0.22 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3iwk h ALA 75 CO -0.14 0.51 0.52 0.00 0.00 0.00 0.00 179.25 180.14 3iwk h ARG 76 N 1.20 1.00 -0.33 0.00 3.08 -0.21 0.06 114.38 119.18 3iwk h ARG 76 Ca 0.34 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 3iwk h ARG 76 Cb -0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 3iwk h ARG 76 CO -0.09 0.66 0.15 1.88 -1.07 0.00 0.00 179.97 181.50 3iwk h TYR 77 N 1.03 0.48 -0.68 3.04 0.05 -1.18 0.38 116.97 120.10 3iwk h TYR 77 Ca 0.30 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.07 3iwk h TYR 77 Cb -0.07 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 3iwk h TYR 77 CO -0.02 0.44 0.44 -0.07 -1.05 0.00 0.00 178.16 177.90 3iwk h LEU 78 N 0.39 0.75 -0.77 3.88 3.38 -0.91 0.23 115.31 122.27 3iwk h LEU 78 Ca 0.11 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3iwk h LEU 78 Cb 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3iwk h LEU 78 CO -0.01 0.54 0.05 0.03 0.09 0.00 0.00 178.44 179.13 3iwk h ARG 79 N 0.89 0.98 -0.50 1.13 3.08 -0.86 0.16 114.38 119.26 3iwk h ARG 79 Ca 0.26 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3iwk h ARG 79 Cb -0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3iwk h ARG 79 CO -0.07 0.94 0.18 0.00 -1.07 0.00 0.00 179.97 179.95 3iwk h ALA 80 N 1.13 0.66 -0.43 0.04 0.00 -0.25 -0.56 119.26 119.84 3iwk h ALA 80 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iwk h ALA 80 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3iwk h ALA 80 CO 0.02 0.29 0.24 0.82 0.00 0.00 0.00 179.25 180.62 3iwk h ILE 81 N 0.68 1.15 -0.74 0.00 2.04 -0.36 -2.78 117.51 117.50 3iwk h ILE 81 Ca 0.17 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3iwk h ILE 81 Cb 0.23 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3iwk h ILE 81 CO -0.01 0.16 0.36 0.00 0.00 0.00 0.00 178.15 178.66 3iwk h ALA 82 N 1.09 1.24 -0.55 1.87 0.00 -0.58 -1.84 119.26 120.49 3iwk h ALA 82 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 82 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3iwk h ALA 82 CO -0.03 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.74 3iwk h ALA 83 N 1.35 0.83 -0.46 0.00 0.00 -0.98 -0.53 119.26 119.47 3iwk h ALA 83 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 83 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iwk h ALA 83 CO -0.03 0.66 0.11 -0.22 0.00 0.00 0.00 179.25 179.77 3iwk h LYS 84 N 0.91 0.73 0.04 0.00 1.63 -1.28 -0.66 116.57 117.94 3iwk h LYS 84 Ca 0.15 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3iwk h LYS 84 Cb 0.62 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 3iwk h LYS 84 CO 0.04 0.73 -0.08 0.82 -3.45 0.00 0.00 179.45 177.51 3iwk h ILE 85 N 0.61 0.81 -0.59 2.00 1.08 -1.12 -2.06 117.51 118.24 3iwk h ILE 85 Ca 0.14 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.71 3iwk h ILE 85 Cb 0.33 0.81 -0.07 0.00 -3.07 0.00 0.00 36.82 34.82 3iwk h ILE 85 CO 0.00 0.00 0.20 0.50 -0.69 0.00 0.00 178.15 178.16 3iwk h LYS 86 N -0.15 0.36 -0.70 2.37 3.64 -0.98 -1.60 116.57 119.51 3iwk h LYS 86 Ca 0.02 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3iwk h LYS 86 Cb 0.17 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3iwk h LYS 86 CO -0.05 0.24 0.45 1.49 -2.27 0.00 0.00 179.45 179.31 3iwk h GLU 87 N 0.37 0.88 -0.73 1.90 4.81 -0.82 -2.69 114.58 118.29 3iwk h GLU 87 Ca 0.30 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 3iwk h GLU 87 Cb 0.38 -0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.47 3iwk h GLU 87 CO -0.31 0.58 0.18 1.63 -0.73 0.00 0.00 179.01 180.36 3iwk n LYS 88 N -4.63 3.89 -0.20 1.92 5.02 -0.80 -4.69 118.16 118.66 3iwk n LYS 88 Ca 0.07 -2.88 -0.01 0.00 -2.02 0.00 0.00 58.31 53.47 3iwk n LYS 88 Cb 0.05 -2.18 0.06 0.00 -0.02 0.00 0.00 35.03 32.95 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 2.88 0.01 -0.46 1.97 3.64 -0.95 -0.39 116.57 123.26 3iwk h LYS 89 Ca 0.18 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3iwk h LYS 89 Cb 2.14 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.94 3iwk h LYS 89 CO 0.63 0.01 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.22 3iwk h ASP 90 N 0.01 0.88 -0.01 4.20 5.19 -1.86 -0.11 116.42 124.72 3iwk h ASP 90 Ca 0.29 -0.29 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 3iwk h ASP 90 Cb 0.45 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 39.73 3iwk h ASP 90 CO -0.62 1.03 -0.63 -0.08 -3.12 0.00 0.00 179.24 175.83 3iwk h GLU 91 N 0.78 0.44 -0.27 3.56 4.57 -1.83 -2.95 114.58 118.87 3iwk h GLU 91 Ca 0.12 -0.46 -0.06 0.00 -1.18 0.00 0.00 59.36 57.77 3iwk h GLU 91 Cb 0.68 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3iwk h GLU 91 CO 0.05 1.12 -0.10 -0.07 -1.18 0.00 0.00 179.01 178.83 3iwk h LEU 92 N -0.05 0.42 -0.09 1.64 3.38 -1.06 -2.46 115.31 117.09 3iwk h LEU 92 Ca -0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3iwk h LEU 92 Cb 1.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3iwk h LEU 92 CO 0.12 0.57 0.06 1.23 0.09 0.00 0.00 178.44 180.51 3iwk h GLY 93 N 0.87 0.12 2.00 0.83 0.00 -1.02 -0.90 103.07 104.97 3iwk h GLY 93 Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 3iwk h GLY 93 CO 0.02 0.04 -0.51 0.07 0.00 0.00 0.00 176.54 176.16 3iwk h LYS 94 N 0.12 0.00 -0.19 4.80 2.10 -1.42 -1.91 116.57 120.07 3iwk h LYS 94 Ca 0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 3iwk h LYS 94 Cb -0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 3iwk h LYS 94 CO -0.01 0.51 0.04 -0.07 -2.00 0.00 0.00 179.45 177.92 3iwk h LEU 95 N 0.00 0.29 -0.62 7.07 3.38 -1.22 -1.39 115.31 122.81 3iwk h LEU 95 Ca -0.01 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3iwk h LEU 95 Cb 0.95 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3iwk h LEU 95 CO 0.07 0.46 0.34 -0.08 0.09 0.00 0.00 178.44 179.32 3iwk h GLU 96 N 0.11 0.63 -0.28 1.13 4.57 -1.07 -1.15 114.58 118.52 3iwk h GLU 96 Ca 0.06 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3iwk h GLU 96 Cb 0.29 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3iwk h GLU 96 CO 0.00 0.42 0.07 1.03 -1.18 0.00 0.00 179.01 179.35 3iwk h SER 97 N 0.65 0.42 -0.46 1.04 0.87 -1.20 -1.71 113.55 113.16 3iwk h SER 97 Ca 0.28 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3iwk h SER 97 Cb 0.16 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3iwk h SER 97 CO -0.17 0.54 0.13 0.40 -0.53 0.00 0.00 176.83 177.20 3iwk h ILE 98 N 0.29 1.22 -0.22 2.23 2.04 -1.19 -0.85 117.51 121.02 3iwk h ILE 98 Ca 0.09 -0.77 -0.19 0.00 1.00 0.00 0.00 64.86 64.99 3iwk h ILE 98 Cb 0.28 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3iwk h ILE 98 CO 0.00 0.29 -0.60 -0.78 0.00 0.00 0.00 178.15 177.06 3iwk h ASP 99 N 0.76 0.90 0.00 1.72 3.58 -0.85 -3.39 116.42 119.14 3iwk h ASP 99 Ca 0.17 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.04 3iwk h ASP 99 Cb 0.27 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3iwk h ASP 99 CO -0.00 1.32 -0.28 0.00 -2.88 0.00 0.00 179.24 177.39 3iwk n GLY 101 N 1.29 0.63 3.79 0.00 0.00 -0.33 -4.34 105.19 106.23 3iwk n GLY 101 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.76 4.33 0.32 1.61 -2.85 -1.24 -3.61 119.74 117.53 3iwk s LYS 102 Ca 0.00 1.34 -0.27 0.00 -1.00 0.00 0.00 55.97 56.05 3iwk s LYS 102 Cb 0.00 -2.53 -0.14 0.00 -2.06 0.00 0.00 37.83 33.10 3iwk s LYS 102 CO 0.00 0.03 0.88 -2.30 0.10 0.00 0.00 175.35 174.07 3iwk n PRO 103 N -0.00 1.08 -0.33 1.78 -0.02 -1.26 -4.57 135.00 131.68 3iwk n PRO 103 Ca 0.04 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3iwk n PRO 103 Cb 0.51 -1.73 0.29 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.63 0.69 -1.15 2.45 5.85 -1.42 -0.26 115.31 123.10 3iwk h LEU 104 Ca -0.39 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.35 3iwk h LEU 104 Cb 1.36 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3iwk h LEU 104 CO 0.58 0.25 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.34 3iwk h GLU 105 N 0.71 0.27 -0.41 1.25 5.08 -1.88 0.17 114.58 119.77 3iwk h GLU 105 Ca 0.54 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.75 3iwk h GLU 105 Cb 0.83 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3iwk h GLU 105 CO -0.38 0.52 0.03 0.93 -1.00 0.00 0.00 179.01 179.11 3iwk h GLU 106 N 0.25 0.71 -0.61 2.33 5.08 -1.43 -2.35 114.58 118.55 3iwk h GLU 106 Ca 0.04 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3iwk h GLU 106 Cb 0.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3iwk h GLU 106 CO 0.04 0.77 0.02 0.00 -1.00 0.00 0.00 179.01 178.85 3iwk h ALA 107 N 0.91 0.82 -0.77 3.43 0.00 -0.61 -1.35 119.26 121.68 3iwk h ALA 107 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 107 Cb 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3iwk h ALA 107 CO 0.01 0.64 0.49 -0.07 0.00 0.00 0.00 179.25 180.32 3iwk h LEU 108 N 0.96 0.91 -0.61 0.00 4.07 -0.69 -2.17 115.31 117.78 3iwk h LEU 108 Ca 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 3iwk h LEU 108 Cb 0.53 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 3iwk h LEU 108 CO 0.03 0.68 0.31 0.00 -1.08 0.00 0.00 178.44 178.39 3iwk h ALA 109 N 1.26 0.78 -0.57 1.53 0.00 -1.13 -2.52 119.26 118.62 3iwk h ALA 109 Ca 0.28 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 109 Cb -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3iwk h ALA 109 CO -0.06 0.32 0.27 -0.44 0.00 0.00 0.00 179.25 179.35 3iwk h ASP 110 N 0.83 0.37 -0.54 0.00 3.45 -0.98 -2.24 116.42 117.31 3iwk h ASP 110 Ca 0.21 0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.68 3iwk h ASP 110 Cb 0.08 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 3iwk h ASP 110 CO -0.03 0.24 0.22 -0.07 -1.57 0.00 0.00 179.24 178.03 3iwk h LEU 111 N 0.51 0.78 -1.14 1.55 3.38 -1.19 0.12 115.31 119.33 3iwk h LEU 111 Ca 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3iwk h LEU 111 Cb 0.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3iwk h LEU 111 CO -0.20 0.71 0.47 0.44 0.09 0.00 0.00 178.44 179.95 3iwk h ASP 112 N 0.84 0.94 0.37 -0.43 3.32 -1.10 -2.28 116.42 118.07 3iwk h ASP 112 Ca 0.20 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 3iwk h ASP 112 Cb 0.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3iwk h ASP 112 CO -0.02 0.72 -0.64 0.44 -1.72 0.00 0.00 179.24 178.03 3iwk h ASP 113 N 1.08 0.30 0.27 6.45 3.32 -0.66 -2.08 116.42 125.10 3iwk h ASP 113 Ca 0.28 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3iwk h ASP 113 Cb -0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3iwk h ASP 113 CO -0.05 0.86 -0.13 0.58 -1.72 0.00 0.00 179.24 178.77 3iwk h VAL 114 N 0.19 0.75 -0.35 -1.35 2.07 -0.49 0.63 116.25 117.69 3iwk h VAL 114 Ca -0.01 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3iwk h VAL 114 Cb 1.16 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3iwk h VAL 114 CO 0.10 0.03 0.08 0.58 0.02 0.00 0.00 177.57 178.37 3iwk h VAL 115 N -0.43 0.83 -0.59 2.57 2.07 -1.43 -1.32 116.25 117.96 3iwk h VAL 115 Ca -0.04 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3iwk h VAL 115 Cb 0.32 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3iwk h VAL 115 CO 0.06 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.93 3iwk h ALA 116 N 1.26 1.33 -0.27 1.67 0.00 -1.29 -1.54 119.26 120.42 3iwk h ALA 116 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 116 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iwk h ALA 116 CO -0.21 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.38 3iwk h PHE 118 N 0.32 1.17 -0.19 0.00 0.04 -1.03 -1.77 116.94 115.47 3iwk h PHE 118 Ca 0.06 -0.10 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 3iwk h PHE 118 Cb 0.68 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3iwk h PHE 118 CO 0.06 0.91 -0.48 0.93 -0.60 0.00 0.00 178.31 179.13 3iwk h GLU 119 N 1.09 0.51 -0.24 1.51 5.08 -1.22 -0.72 114.58 120.59 3iwk h GLU 119 Ca 0.24 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3iwk h GLU 119 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3iwk h GLU 119 CO -0.01 0.88 0.09 -0.92 -1.00 0.00 0.00 179.01 178.05 3iwk h TYR 120 N 0.41 0.37 0.00 4.33 3.20 -0.76 -2.20 116.97 122.33 3iwk h TYR 120 Ca 0.02 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3iwk h TYR 120 Cb 1.00 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 3iwk h TYR 120 CO 0.04 0.40 -0.00 1.88 -1.64 0.00 0.00 178.16 178.84 3iwk h TYR 121 N 0.24 0.00 -0.45 -3.82 -1.99 -1.22 -2.06 116.97 107.67 3iwk h TYR 121 Ca 0.08 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.75 3iwk h TYR 121 Cb 0.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 3iwk h TYR 121 CO -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 178.16 178.19 3iwk h ALA 122 N 2.00 0.61 -0.21 3.88 0.00 -0.97 -0.73 119.26 123.83 3iwk h ALA 122 Ca -0.00 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3iwk h ALA 122 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3iwk h ALA 122 CO 0.00 0.37 0.03 0.78 0.00 0.00 0.00 179.25 180.43 3iwk h GLY 123 N 0.63 0.22 1.58 0.00 0.00 -0.75 -0.38 103.07 104.38 3iwk h GLY 123 Ca 0.13 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3iwk h GLY 123 CO 0.02 -0.01 -0.09 1.41 0.00 0.00 0.00 176.54 177.86 3iwk h LEU 124 N 0.11 0.49 -0.54 3.11 4.07 -1.41 -2.65 115.31 118.49 3iwk h LEU 124 Ca 0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3iwk h LEU 124 Cb 0.10 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 3iwk h LEU 124 CO -0.14 0.63 0.30 0.00 -1.08 0.00 0.00 178.44 178.16 3iwk h ALA 125 N 1.43 0.69 -0.24 1.53 0.00 -0.65 -2.33 119.26 119.68 3iwk h ALA 125 Ca 0.09 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 125 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iwk h ALA 125 CO 0.02 0.20 0.17 0.93 0.00 0.00 0.00 179.25 180.58 3iwk h GLU 126 N 0.72 0.02 -0.00 0.00 5.08 -0.73 -2.55 114.58 117.11 3iwk h GLU 126 Ca 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3iwk h GLU 126 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3iwk h GLU 126 CO -0.03 0.01 -0.62 0.39 -1.00 0.00 0.00 179.01 177.76 3iwk n GLU 127 N -4.47 0.23 -0.05 2.33 1.02 -0.97 -4.54 120.64 114.20 3iwk n GLU 127 Ca 0.03 -0.16 -0.12 0.00 -0.02 0.00 0.00 57.16 56.88 3iwk n GLU 127 Cb 0.31 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 3iwk n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iwk h LEU 128 N 0.40 0.26 -2.38 -4.62 5.85 -0.98 -3.01 115.31 110.82 3iwk h LEU 128 Ca 0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3iwk h LEU 128 Cb 0.52 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3iwk h LEU 128 CO 0.00 0.51 -0.01 0.44 -0.34 0.00 0.00 178.44 179.05 3iwk h ASP 129 N -0.01 0.00 0.87 1.25 5.19 -1.80 -1.57 116.42 120.36 3iwk h ASP 129 Ca 0.04 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 3iwk h ASP 129 Cb 0.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3iwk h ASP 129 CO 0.01 0.01 -0.24 0.28 -3.12 0.00 0.00 179.24 176.18 3iwk h SER 130 N 0.00 0.00 0.17 6.45 0.02 -1.82 -3.15 113.55 115.22 3iwk h SER 130 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iwk h SER 130 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3iwk h SER 130 CO 0.00 0.24 -0.40 0.29 -1.14 0.00 0.00 176.83 175.82 3iwk n LYS 131 N -3.43 0.82 -2.10 3.45 5.02 -0.59 -4.93 118.16 116.40 3iwk n LYS 131 Ca -0.00 -0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 55.38 3iwk n LYS 131 Cb 0.43 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 3iwk n LYS 131 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iwk s GLN 132 N -2.57 3.24 -1.43 1.97 -1.52 -1.19 -3.42 119.66 114.74 3iwk s GLN 132 Ca 0.20 1.40 -0.06 0.00 -1.95 0.00 0.00 55.36 54.96 3iwk s GLN 132 Cb 0.19 -2.01 0.03 0.00 -0.22 0.00 0.00 33.01 31.00 3iwk s GLN 132 CO 0.58 -0.90 0.52 1.63 -0.25 0.00 0.00 175.29 176.87 3iwk n LYS 133 N -1.77 -4.12 -1.89 2.91 5.02 -0.77 -4.94 118.16 112.59 3iwk n LYS 133 Ca 0.10 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 3iwk n LYS 133 Cb 0.52 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.99 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 -3.05 3.78 0.26 7.82 0.00 -1.16 -4.69 121.76 124.72 3iwk s ALA 134 Ca 0.32 1.37 -0.24 0.00 0.00 0.00 0.00 51.96 53.42 3iwk s ALA 134 Cb -0.15 -3.65 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 3iwk s ALA 134 CO 0.39 -0.88 0.83 -1.25 0.00 0.00 0.00 175.76 174.86 3iwk s PRO 135 N 1.50 4.46 -0.23 0.00 0.04 -1.26 -1.32 135.00 138.20 3iwk s PRO 135 Ca 0.72 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 3iwk s PRO 135 Cb -0.44 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3iwk s PRO 135 CO 0.32 0.38 0.04 0.42 0.04 0.00 0.00 177.00 178.20 3iwk s ILE 136 N -1.50 4.20 -0.09 0.56 -1.09 0.52 -4.95 121.20 118.85 3iwk s ILE 136 Ca 0.45 -0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 58.35 3iwk s ILE 136 Cb -0.19 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 3iwk s ILE 136 CO 0.23 0.38 1.51 -0.44 -1.23 0.00 0.00 174.94 175.39 3iwk s SER 137 N 1.29 6.77 0.15 3.58 0.01 -1.26 -4.29 113.70 119.95 3iwk s SER 137 Ca 0.04 2.04 0.07 0.00 1.31 0.00 0.00 55.95 59.42 3iwk s SER 137 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 3iwk s SER 137 CO 0.02 -0.86 -0.05 -0.76 0.41 0.00 0.00 173.24 172.00 3iwk s LEU 138 N 3.78 3.16 0.00 2.44 1.02 -1.26 -5.04 118.68 122.78 3iwk s LEU 138 Ca 0.66 -0.42 0.20 0.00 0.02 0.00 0.00 54.13 54.60 3iwk s LEU 138 Cb -0.29 -1.87 0.62 0.00 0.02 0.00 0.00 46.19 44.66 3iwk s LEU 138 CO 0.24 0.13 1.48 -0.81 0.02 0.00 0.00 176.35 177.41 3iwk n PRO 139 N 0.24 1.96 -0.05 1.29 -0.04 -1.26 -4.45 135.00 132.69 3iwk n PRO 139 Ca -0.11 -1.45 -0.20 0.00 -0.04 0.00 0.00 63.50 61.69 3iwk n PRO 139 Cb 0.54 -1.42 -0.13 0.00 -0.04 0.00 0.00 33.50 32.45 3iwk n PRO 139 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3iwk n MET 140 N 0.68 0.72 0.00 0.54 2.81 -1.26 -4.98 117.12 115.63 3iwk n MET 140 Ca 0.17 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 3iwk n MET 140 Cb 0.40 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 3iwk n MET 140 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3iwk n ASP 141 N -3.42 0.00 -0.51 7.83 9.92 -1.26 -4.60 116.55 124.51 3iwk n ASP 141 Ca -0.37 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.02 3iwk n ASP 141 Cb 1.02 -0.54 0.42 0.00 -0.64 0.00 0.00 41.12 41.39 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3iwk n THR 142 N -1.59 0.00 -4.19 -3.53 -2.24 -1.26 -4.85 114.28 96.61 3iwk n THR 142 Ca 0.00 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.34 3iwk n THR 142 Cb 0.00 0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.10 1.26 -0.03 4.78 0.40 -1.26 -0.10 117.98 120.93 3iwk s PHE 143 Ca 0.34 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 3iwk s PHE 143 Cb 0.20 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 43.06 3iwk s PHE 143 CO 0.37 0.08 -0.04 0.21 0.70 0.00 0.00 175.22 176.53 3iwk s LYS 144 N -2.14 0.60 -0.01 0.44 2.20 -0.33 -4.85 119.74 115.65 3iwk s LYS 144 Ca 0.02 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 3iwk s LYS 144 Cb -0.08 -0.63 -0.01 0.00 -1.51 0.00 0.00 37.83 35.61 3iwk s LYS 144 CO 0.02 -0.02 -0.11 0.45 -0.36 0.00 0.00 175.35 175.33 3iwk s SER 145 N 0.55 1.37 0.15 1.43 0.15 -1.26 -0.03 113.70 116.06 3iwk s SER 145 Ca -0.07 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.34 3iwk s SER 145 Cb -0.10 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 3iwk s SER 145 CO -0.00 0.12 0.12 -0.72 1.20 0.00 0.00 173.24 173.96 3iwk s TYR 146 N -0.14 0.80 0.05 3.44 -0.85 -0.22 -0.36 117.35 120.07 3iwk s TYR 146 Ca 0.02 -1.15 0.05 0.00 -0.52 0.00 0.00 57.07 55.47 3iwk s TYR 146 Cb -0.06 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 3iwk s TYR 146 CO -0.00 -0.58 -0.06 0.96 -1.52 0.00 0.00 175.55 174.35 3iwk s ILE 147 N -4.05 3.66 -0.07 -3.49 -4.36 -0.43 -0.62 121.20 111.85 3iwk s ILE 147 Ca 0.24 -0.94 0.03 0.00 -0.26 0.00 0.00 60.65 59.72 3iwk s ILE 147 Cb 0.06 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.10 3iwk s ILE 147 CO 0.03 0.26 -0.15 -0.76 0.24 0.00 0.00 174.94 174.56 3iwk s LEU 148 N -1.81 2.66 -0.51 0.37 1.43 0.58 -1.85 118.68 119.54 3iwk s LEU 148 Ca 0.20 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 3iwk s LEU 148 Cb -0.11 -1.55 0.12 0.00 0.03 0.00 0.00 46.19 44.69 3iwk s LEU 148 CO 0.11 0.29 0.43 -0.54 0.23 0.00 0.00 176.35 176.88 3iwk s LYS 149 N -0.42 2.76 0.17 1.70 -0.14 -1.26 -0.87 119.74 121.67 3iwk s LYS 149 Ca 0.05 -1.73 0.04 0.00 -1.36 0.00 0.00 55.97 52.97 3iwk s LYS 149 Cb -0.12 -4.13 -0.04 0.00 -1.68 0.00 0.00 37.83 31.86 3iwk s LYS 149 CO 0.02 -1.27 0.21 -1.21 -0.76 0.00 0.00 175.35 172.35 3iwk s GLU 150 N 1.49 3.15 0.62 1.68 2.02 -0.89 -4.92 118.70 121.85 3iwk s GLU 150 Ca 0.04 -0.77 -0.17 0.00 0.02 0.00 0.00 54.97 54.09 3iwk s GLU 150 Cb -0.28 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 3iwk s GLU 150 CO 0.01 0.49 1.14 -2.14 0.02 0.00 0.00 175.26 174.78 3iwk s PRO 151 N -3.27 2.93 0.45 0.39 0.02 -1.26 -0.72 135.00 133.53 3iwk s PRO 151 Ca 0.33 1.56 0.25 0.00 0.02 0.00 0.00 61.00 63.16 3iwk s PRO 151 Cb -0.10 -1.95 0.82 0.00 0.02 0.00 0.00 34.50 33.28 3iwk s PRO 151 CO 0.26 -1.18 1.78 0.97 -0.33 0.00 0.00 177.00 178.50 3iwk h ILE 152 N 0.48 0.35 0.00 2.83 6.09 -1.03 -3.42 117.51 122.82 3iwk h ILE 152 Ca -0.48 -1.09 0.00 0.00 -1.37 0.00 0.00 64.86 61.92 3iwk h ILE 152 Cb 1.26 1.83 0.00 0.00 0.47 0.00 0.00 36.82 40.38 3iwk h ILE 152 CO 0.55 0.16 0.00 0.61 -3.07 0.00 0.00 178.15 176.40 3iwk n GLY 153 N 0.43 0.24 3.65 8.18 0.00 -1.26 -4.83 105.19 111.60 3iwk n GLY 153 Ca 0.01 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 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 5.23 -0.09 1.61 1.01 -1.26 -2.62 120.40 124.28 3iwk s VAL 154 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.55 3iwk s VAL 154 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3iwk s VAL 154 CO 0.00 0.25 -0.17 0.68 0.00 0.00 0.00 175.10 175.86 3iwk s VAL 155 N 1.46 2.73 -0.22 2.92 -7.23 -0.38 -0.19 120.40 119.48 3iwk s VAL 155 Ca 0.15 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.38 3iwk s VAL 155 Cb -0.15 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 3iwk s VAL 155 CO 0.08 0.56 0.31 0.00 -0.31 0.00 0.00 175.10 175.73 3iwk s ALA 156 N -0.04 3.58 -0.31 1.32 0.00 -0.27 -0.39 121.76 125.65 3iwk s ALA 156 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3iwk s ALA 156 Cb -0.14 -2.53 0.07 0.00 0.00 0.00 0.00 23.12 20.52 3iwk s ALA 156 CO 0.04 -0.28 0.00 -0.51 0.00 0.00 0.00 175.76 175.01 3iwk s LEU 157 N 1.27 4.16 -0.21 0.00 1.02 0.46 -0.71 118.68 124.67 3iwk s LEU 157 Ca 0.15 -1.65 -0.03 0.00 0.02 0.00 0.00 54.13 52.61 3iwk s LEU 157 Cb -0.14 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.41 3iwk s LEU 157 CO 0.07 -0.31 -0.06 -0.63 0.02 0.00 0.00 176.35 175.44 3iwk s ILE 158 N 1.09 3.25 0.11 -0.59 1.01 -0.42 -0.05 121.20 125.60 3iwk s ILE 158 Ca -0.00 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3iwk s ILE 158 Cb -0.20 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3iwk s ILE 158 CO -0.05 0.44 -0.14 0.42 0.00 0.00 0.00 174.94 175.61 3iwk s THR 159 N 1.35 1.30 0.72 2.92 -4.23 -1.09 -2.02 115.64 114.59 3iwk s THR 159 Ca 0.04 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 3iwk s THR 159 Cb -0.14 -1.43 0.11 0.00 1.34 0.00 0.00 72.50 72.37 3iwk s THR 159 CO -0.03 -0.36 1.00 -2.16 -0.54 0.00 0.00 174.62 172.53 3iwk s PRO 160 N -2.43 1.78 0.00 3.99 0.04 -1.23 -2.62 135.00 134.52 3iwk s PRO 160 Ca 0.06 -0.83 0.24 0.00 0.04 0.00 0.00 61.00 60.51 3iwk s PRO 160 Cb -0.06 -2.27 0.24 0.00 0.04 0.00 0.00 34.50 32.45 3iwk s PRO 160 CO 0.03 -1.41 1.23 -2.67 0.04 0.00 0.00 177.00 174.22 3iwk n TRP 161 N -2.88 0.00 0.09 0.56 4.27 -1.26 -3.98 117.44 114.23 3iwk n TRP 161 Ca 0.13 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.63 3iwk n TRP 161 Cb 0.60 -0.10 -0.07 0.00 -1.36 0.00 0.00 31.31 30.38 3iwk n TRP 161 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3iwk h ASN 162 N 0.73 0.28 -2.11 -0.67 -1.07 -1.95 -3.33 115.58 107.46 3iwk h ASN 162 Ca 0.00 -0.26 -0.58 0.00 0.07 0.00 0.00 56.30 55.53 3iwk h ASN 162 Cb 0.55 -0.09 -0.41 0.00 -2.07 0.00 0.00 38.32 36.31 3iwk h ASN 162 CO 0.00 1.13 -0.83 -1.22 0.07 0.00 0.00 177.43 176.58 3iwk n TYR 163 N -3.57 1.94 -0.03 4.14 4.01 -1.26 -5.01 117.16 117.38 3iwk n TYR 163 Ca -0.05 -3.90 -0.09 0.00 -0.16 0.00 0.00 57.90 53.71 3iwk n TYR 163 Cb 0.90 -0.47 -0.02 0.00 -0.31 0.00 0.00 39.34 39.44 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 3.97 -0.24 -0.01 -0.72 0.11 -1.69 0.32 132.00 133.74 3iwk h PRO 164 Ca 0.14 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3iwk h PRO 164 Cb 0.75 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3iwk h PRO 164 CO 0.67 -0.16 -0.03 0.35 -0.21 0.00 0.00 178.00 178.62 3iwk h PHE 165 N -0.25 0.05 -0.27 0.65 3.04 -1.90 -3.02 116.94 115.25 3iwk h PHE 165 Ca 0.12 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 3iwk h PHE 165 Cb 0.44 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 3iwk h PHE 165 CO -0.36 0.67 0.05 1.25 -2.02 0.00 0.00 178.31 177.90 3iwk h LEU 166 N -0.58 0.42 -0.82 0.59 5.85 -1.81 -0.19 115.31 118.77 3iwk h LEU 166 Ca -0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3iwk h LEU 166 Cb 0.67 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3iwk h LEU 166 CO 0.01 0.56 0.52 -0.03 -0.34 0.00 0.00 178.44 179.16 3iwk h MET 167 N 0.26 1.10 -0.54 1.25 4.05 -0.49 0.29 114.93 120.85 3iwk h MET 167 Ca 0.08 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3iwk h MET 167 Cb 0.32 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3iwk h MET 167 CO 0.00 0.76 0.35 0.00 0.23 0.00 0.00 176.91 178.25 3iwk h ALA 168 N 1.28 0.69 -0.47 0.39 0.00 -1.37 -3.06 119.26 116.72 3iwk h ALA 168 Ca 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3iwk h ALA 168 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3iwk h ALA 168 CO -0.06 0.15 0.14 1.15 0.00 0.00 0.00 179.25 180.63 3iwk h THR 169 N 0.73 1.23 -1.20 0.00 2.02 -0.18 0.17 112.91 115.69 3iwk h THR 169 Ca 0.20 -0.78 0.34 0.00 0.77 0.00 0.00 66.41 66.94 3iwk h THR 169 Cb -0.05 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3iwk h THR 169 CO -0.04 0.28 0.84 -0.50 0.37 0.00 0.00 175.52 176.47 3iwk h TRP 170 N 0.63 0.16 0.00 3.16 4.06 -0.36 -0.71 115.95 122.89 3iwk h TRP 170 Ca 0.15 0.01 -0.42 0.00 2.06 0.00 0.00 58.89 60.69 3iwk h TRP 170 Cb 0.29 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.34 3iwk h TRP 170 CO 0.02 0.00 -2.50 1.63 -3.56 0.00 0.00 178.44 174.03 3iwk n LYS 171 N -4.29 0.63 -0.05 0.49 5.02 -0.98 -4.48 118.16 114.51 3iwk n LYS 171 Ca 0.27 0.19 -0.11 0.00 -2.02 0.00 0.00 58.31 56.64 3iwk n LYS 171 Cb 1.22 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 34.68 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 -0.35 1.12 0.07 -0.18 2.04 -0.36 -2.49 117.51 117.36 3iwk h ILE 172 Ca -0.62 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 64.90 3iwk h ILE 172 Cb 1.80 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3iwk h ILE 172 CO -0.21 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 177.98 3iwk h ALA 173 N 0.97 -0.14 0.00 1.87 0.00 -1.37 -0.82 119.26 119.76 3iwk h ALA 173 Ca 0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 173 Cb 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3iwk h ALA 173 CO -0.01 -0.60 -0.55 -1.00 0.00 0.00 0.00 179.25 177.10 3iwk h PRO 174 N -0.18 0.00 0.22 0.00 0.13 -1.78 -1.62 132.00 128.77 3iwk h PRO 174 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3iwk h PRO 174 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3iwk h PRO 174 CO -0.04 0.55 -0.11 0.00 -0.23 0.00 0.00 178.00 178.17 3iwk h ALA 175 N 1.45 -0.30 -0.57 -0.56 0.00 -1.01 -1.41 119.26 116.87 3iwk h ALA 175 Ca -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 175 Cb 0.97 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3iwk h ALA 175 CO 0.07 -0.67 0.07 -0.07 0.00 0.00 0.00 179.25 178.65 3iwk h LEU 176 N -0.30 0.91 -1.68 0.00 3.38 -1.17 -1.61 115.31 114.84 3iwk h LEU 176 Ca -0.03 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.76 3iwk h LEU 176 Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3iwk h LEU 176 CO 0.05 0.95 0.37 0.00 0.09 0.00 0.00 178.44 179.90 3iwk h ALA 177 N 0.99 2.03 0.00 1.53 0.00 -1.14 -1.51 119.26 121.17 3iwk h ALA 177 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iwk h ALA 177 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iwk h ALA 177 CO 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 179.25 179.03 3iwk h ALA 178 N 1.72 0.95 0.00 0.00 0.00 -1.04 -3.43 119.26 117.46 3iwk h ALA 178 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3iwk h ALA 178 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3iwk h ALA 178 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3iwk n GLY 179 N 1.19 1.08 3.86 0.00 0.00 -0.57 -4.10 105.19 106.65 3iwk n GLY 179 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.15 3.13 0.06 0.00 0.00 -1.08 -4.39 121.76 116.34 3iwk s ALA 181 Ca 0.56 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3iwk s ALA 181 Cb -0.12 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3iwk s ALA 181 CO 0.54 0.46 -0.17 0.00 0.00 0.00 0.00 175.76 176.58 3iwk s ALA 182 N -0.44 2.64 -0.20 0.00 0.00 0.71 -1.25 121.76 123.22 3iwk s ALA 182 Ca 0.07 -1.23 -0.02 0.00 0.00 0.00 0.00 51.96 50.78 3iwk s ALA 182 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3iwk s ALA 182 CO 0.02 0.58 -0.11 0.42 0.00 0.00 0.00 175.76 176.67 3iwk s ILE 183 N -1.00 2.81 -0.15 0.00 1.09 0.47 -1.15 121.20 123.28 3iwk s ILE 183 Ca 0.16 -0.68 -0.08 0.00 -1.10 0.00 0.00 60.65 58.94 3iwk s ILE 183 Cb -0.11 -2.25 -0.04 0.00 -1.06 0.00 0.00 42.46 39.01 3iwk s ILE 183 CO 0.07 0.47 0.12 -0.22 -0.10 0.00 0.00 174.94 175.28 3iwk s LEU 184 N 1.39 4.23 -0.42 2.97 2.96 0.73 -0.40 118.68 130.13 3iwk s LEU 184 Ca 0.05 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 3iwk s LEU 184 Cb -0.14 -2.05 0.12 0.00 0.50 0.00 0.00 46.19 44.62 3iwk s LEU 184 CO -0.07 0.30 0.18 -0.75 -1.32 0.00 0.00 176.35 174.69 3iwk s LYS 185 N -0.36 1.47 0.88 1.98 2.36 0.93 -1.25 119.74 125.75 3iwk s LYS 185 Ca 0.11 -2.04 -0.12 0.00 -2.55 0.00 0.00 55.97 51.38 3iwk s LYS 185 Cb -0.12 -2.79 0.12 0.00 -1.05 0.00 0.00 37.83 33.99 3iwk s LYS 185 CO 0.01 -1.07 1.09 -1.25 1.55 0.00 0.00 175.35 175.69 3iwk s PRO 186 N 0.45 1.40 0.40 4.03 0.04 -1.26 -2.66 135.00 137.41 3iwk s PRO 186 Ca 0.15 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 3iwk s PRO 186 Cb -0.23 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 3iwk s PRO 186 CO -0.05 -2.12 1.27 0.45 0.04 0.00 0.00 177.00 176.59 3iwk s SER 187 N -3.55 6.39 0.00 6.66 0.15 -1.08 -4.66 113.70 117.61 3iwk s SER 187 Ca 0.63 2.58 0.11 0.00 0.70 0.00 0.00 55.95 59.98 3iwk s SER 187 Cb -0.17 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.09 3iwk s SER 187 CO 0.56 -0.79 1.26 -1.84 1.20 0.00 0.00 173.24 173.63 3iwk n GLU 188 N 0.16 0.17 0.07 5.44 0.00 -1.26 -2.19 120.64 123.03 3iwk n GLU 188 Ca 0.04 0.17 0.09 0.00 0.00 0.00 0.00 57.16 57.46 3iwk n GLU 188 Cb 0.44 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.33 3iwk n GLU 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3iwk n LEU 189 N -1.28 0.67 -3.17 -1.84 4.77 -1.26 -4.75 117.00 110.15 3iwk n LEU 189 Ca 0.06 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.15 3iwk n LEU 189 Cb 0.09 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3iwk n LEU 189 CO 0.09 -0.09 -0.11 0.00 -1.33 0.00 0.00 177.39 175.94 3iwk s ALA 190 N -3.32 -0.46 -0.37 -1.18 0.00 -0.93 -4.70 121.76 110.80 3iwk s ALA 190 Ca -0.02 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.76 3iwk s ALA 190 Cb 0.10 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 3iwk s ALA 190 CO 0.82 -2.12 0.32 0.43 0.00 0.00 0.00 175.76 175.21 3iwk n SER 191 N 3.35 0.46 0.12 0.00 7.64 -1.24 -4.46 113.62 119.50 3iwk n SER 191 Ca 0.20 -0.73 -0.14 0.00 1.01 0.00 0.00 58.87 59.21 3iwk n SER 191 Cb 0.50 0.87 -0.08 0.00 -1.01 0.00 0.00 64.21 64.49 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 0.18 0.86 -0.52 0.44 -1.51 -1.94 -2.27 116.25 111.49 3iwk h VAL 192 Ca 0.00 -0.31 -0.05 0.00 -1.23 0.00 0.00 66.70 65.10 3iwk h VAL 192 Cb 0.17 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 3iwk h VAL 192 CO 0.00 0.07 0.10 0.71 -1.23 0.00 0.00 177.57 177.23 3iwk h THR 193 N -0.43 1.23 -0.86 7.19 1.35 -1.90 -1.73 112.91 117.76 3iwk h THR 193 Ca -0.03 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3iwk h THR 193 Cb 0.33 0.72 -0.04 0.00 -1.73 0.00 0.00 68.15 67.42 3iwk h THR 193 CO 0.05 0.31 0.55 0.00 -0.25 0.00 0.00 175.52 176.17 3iwk h LEU 195 N 1.17 0.47 -1.73 0.00 3.38 -0.74 -2.27 115.31 115.59 3iwk h LEU 195 Ca 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3iwk h LEU 195 Cb -0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3iwk h LEU 195 CO -0.06 0.79 -0.15 -0.33 0.09 0.00 0.00 178.44 178.77 3iwk h GLU 196 N 0.39 0.00 -0.43 1.13 4.39 -0.73 -2.09 114.58 117.23 3iwk h GLU 196 Ca 0.04 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 3iwk h GLU 196 Cb 0.79 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3iwk h GLU 196 CO 0.06 0.15 0.01 1.25 -1.16 0.00 0.00 179.01 179.33 3iwk h LEU 197 N 0.00 0.66 0.06 1.33 5.85 -0.71 -2.22 115.31 120.27 3iwk h LEU 197 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3iwk h LEU 197 Cb 0.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3iwk h LEU 197 CO 0.02 0.72 -0.05 1.23 -0.34 0.00 0.00 178.44 180.02 3iwk h GLY 198 N 0.93 -0.11 1.02 3.75 0.00 -1.37 -0.51 103.07 106.79 3iwk h GLY 198 Ca 0.14 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.60 3iwk h GLY 198 CO 0.01 -0.06 0.47 -2.09 0.00 0.00 0.00 176.54 174.88 3iwk h GLU 199 N -0.12 0.69 -0.34 4.80 4.57 -1.51 0.11 114.58 122.77 3iwk h GLU 199 Ca 0.00 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 3iwk h GLU 199 Cb 0.12 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3iwk h GLU 199 CO -0.01 0.45 -0.18 0.82 -1.18 0.00 0.00 179.01 178.91 3iwk h ILE 200 N 0.71 1.29 -0.86 2.32 2.04 -0.95 -1.18 117.51 120.88 3iwk h ILE 200 Ca 0.31 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3iwk h ILE 200 Cb 0.32 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3iwk h ILE 200 CO -0.11 0.43 0.49 0.00 0.00 0.00 0.00 178.15 178.96 3iwk h LYS 202 N 1.19 0.11 -0.62 0.00 3.64 -0.87 -0.87 116.57 119.15 3iwk h LYS 202 Ca 0.30 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3iwk h LYS 202 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3iwk h LYS 202 CO -0.05 0.07 0.15 0.93 -2.27 0.00 0.00 179.45 178.28 3iwk h GLU 203 N 0.11 0.97 0.00 1.90 5.08 -0.98 -2.67 114.58 118.99 3iwk h GLU 203 Ca 0.03 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3iwk h GLU 203 Cb -0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3iwk h GLU 203 CO -0.01 0.86 0.00 0.28 -1.00 0.00 0.00 179.01 179.15 3iwk n VAL 204 N -4.25 0.29 -2.18 3.13 0.31 -0.06 -4.93 118.33 110.65 3iwk n VAL 204 Ca 0.05 -0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 3iwk n VAL 204 Cb 0.24 -0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 1.30 0.15 3.69 2.92 0.00 -0.46 -4.99 105.19 107.80 3iwk n GLY 205 Ca 0.06 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 3iwk n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 206 N -0.96 3.41 -4.57 0.99 7.94 -0.46 -4.85 117.00 118.50 3iwk n LEU 206 Ca -0.07 1.09 -0.49 0.00 -1.11 0.00 0.00 56.01 55.43 3iwk n LEU 206 Cb 0.55 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 42.99 3iwk n LEU 206 CO 0.09 -0.16 0.69 -2.65 -1.11 0.00 0.00 177.39 174.26 3iwk n PRO 207 N 3.35 1.13 -0.98 1.96 -0.02 -1.26 -4.77 135.00 134.40 3iwk n PRO 207 Ca 0.16 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 3iwk n PRO 207 Cb 0.31 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 3iwk n PRO 207 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3iwk n ARG 208 N 1.66 0.00 -0.94 -0.52 0.63 -1.26 -2.28 116.66 113.96 3iwk n ARG 208 Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 3iwk n ARG 208 Cb 0.25 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.23 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iwk n GLY 209 N 3.12 0.58 0.12 5.14 0.00 -1.26 -4.56 105.19 108.33 3iwk n GLY 209 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 1.51 -3.22 1.61 2.07 -1.75 -3.30 116.25 113.16 3iwk h VAL 210 Ca 0.00 -2.82 -0.51 0.00 0.82 0.00 0.00 66.70 64.19 3iwk h VAL 210 Cb 0.00 2.64 -0.37 0.00 -1.52 0.00 0.00 31.29 32.04 3iwk h VAL 210 CO 0.00 0.82 -0.79 -0.22 0.02 0.00 0.00 177.57 177.40 3iwk s LEU 211 N -7.31 1.11 -0.09 2.57 2.96 -1.26 -0.20 118.68 116.46 3iwk s LEU 211 Ca -0.03 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3iwk s LEU 211 Cb 0.09 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 3iwk s LEU 211 CO 0.85 -0.15 -0.14 0.20 -1.32 0.00 0.00 176.35 175.78 3iwk s ASN 212 N 1.76 3.96 -0.41 3.68 -0.87 -0.30 -4.74 114.94 118.03 3iwk s ASN 212 Ca 0.04 -0.27 -0.02 0.00 -1.57 0.00 0.00 52.86 51.04 3iwk s ASN 212 Cb -0.13 -1.20 0.11 0.00 -0.02 0.00 0.00 41.25 40.01 3iwk s ASN 212 CO -0.07 0.26 0.19 -0.63 -2.57 0.00 0.00 177.10 174.28 3iwk s ILE 213 N -0.21 3.13 -0.33 0.60 1.01 0.10 -0.19 121.20 125.32 3iwk s ILE 213 Ca 0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 60.65 58.37 3iwk s ILE 213 Cb -0.13 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 3iwk s ILE 213 CO 0.03 -0.69 0.20 -0.69 0.00 0.00 0.00 174.94 173.79 3iwk s VAL 214 N 1.02 4.91 0.17 2.92 1.01 -0.38 -2.12 120.40 127.93 3iwk s VAL 214 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3iwk s VAL 214 Cb -0.22 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3iwk s VAL 214 CO -0.05 0.01 0.17 0.28 0.00 0.00 0.00 175.10 175.51 3iwk s THR 215 N 1.66 4.61 -5.00 3.92 -1.32 -1.26 -4.10 115.64 114.15 3iwk s THR 215 Ca 0.05 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 3iwk s THR 215 Cb -0.17 -3.38 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 3iwk s THR 215 CO 0.08 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3iwk n GLY 216 N -0.50 -0.37 3.77 6.08 0.00 -1.24 -0.20 105.19 112.73 3iwk n GLY 216 Ca -0.08 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 4.40 0.16 0.99 1.02 -1.26 -4.17 118.68 119.82 3iwk s LEU 217 Ca 0.00 1.91 -0.23 0.00 0.02 0.00 0.00 54.13 55.82 3iwk s LEU 217 Cb 0.00 -3.93 0.05 0.00 0.02 0.00 0.00 46.19 42.33 3iwk s LEU 217 CO 0.00 -0.07 1.60 1.23 0.02 0.00 0.00 176.35 179.13 3iwk h GLY 218 N 3.34 -0.27 1.75 -3.19 0.00 -1.96 0.15 103.07 102.89 3iwk h GLY 218 Ca -0.47 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3iwk h GLY 218 CO 0.65 -0.21 0.00 -2.39 0.00 0.00 0.00 176.54 174.60 3iwk n HIS 219 N -5.41 0.00 0.00 5.60 1.44 -1.26 -1.31 115.22 114.28 3iwk n HIS 219 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3iwk n HIS 219 Cb 0.33 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.07 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 -1.37 0.00 0.08 -1.40 1.02 -0.94 -4.52 120.64 113.52 3iwk n GLU 220 Ca 0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 3iwk n GLU 220 Cb 0.21 -0.13 -0.08 0.00 -0.02 0.00 0.00 31.44 31.42 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 -1.07 -0.15 -0.04 0.62 0.00 -0.84 -1.61 119.26 116.17 3iwk h ALA 221 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 221 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iwk h ALA 221 CO 0.00 -0.54 0.02 0.78 0.00 0.00 0.00 179.25 179.51 3iwk h GLY 222 N -0.23 0.05 1.04 0.00 0.00 -1.15 -1.56 103.07 101.22 3iwk h GLY 222 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3iwk h GLY 222 CO 0.02 0.02 0.33 0.00 0.00 0.00 0.00 176.54 176.92 3iwk h ALA 223 N 0.95 1.03 -0.60 3.60 0.00 -1.23 -0.05 119.26 122.97 3iwk h ALA 223 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3iwk h ALA 223 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3iwk h ALA 223 CO -0.00 0.64 0.23 0.77 0.00 0.00 0.00 179.25 180.89 3iwk h SER 224 N 1.14 0.82 -0.08 0.00 0.02 -1.24 -0.23 113.55 113.98 3iwk h SER 224 Ca 0.27 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3iwk h SER 224 Cb 0.19 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3iwk h SER 224 CO -0.03 0.77 0.01 0.25 -1.14 0.00 0.00 176.83 176.70 3iwk h LEU 225 N 0.83 0.13 -1.08 5.07 5.85 -0.92 -2.32 115.31 122.86 3iwk h LEU 225 Ca 0.20 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3iwk h LEU 225 Cb 0.21 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3iwk h LEU 225 CO -0.02 0.38 0.22 0.00 -0.34 0.00 0.00 178.44 178.69 3iwk h ALA 226 N 0.75 1.27 -0.01 1.25 0.00 -0.97 -2.96 119.26 118.61 3iwk h ALA 226 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 226 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iwk h ALA 226 CO 0.00 0.53 -0.08 -1.13 0.00 0.00 0.00 179.25 178.57 3iwk n SER 227 N -4.31 0.66 -4.72 0.00 3.41 -0.11 -4.66 113.62 103.89 3iwk n SER 227 Ca 0.05 -0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 57.38 3iwk n SER 227 Cb 0.18 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.30 3.13 0.49 7.33 5.04 -0.88 -4.92 115.29 123.19 3iwk s HIS 228 Ca 0.33 0.87 0.17 0.00 -1.54 0.00 0.00 55.06 54.90 3iwk s HIS 228 Cb 0.20 -3.79 1.22 0.00 0.04 0.00 0.00 32.58 30.26 3iwk s HIS 228 CO 0.43 -2.77 2.09 -1.35 -2.34 0.00 0.00 174.74 170.80 3iwk h PRO 229 N 6.32 0.00 -0.00 2.88 0.11 -1.91 -3.08 132.00 136.32 3iwk h PRO 229 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3iwk h PRO 229 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iwk h PRO 229 CO 0.86 0.08 -0.47 -0.25 -0.21 0.00 0.00 178.00 178.01 3iwk n ASP 230 N -4.34 0.72 -4.72 -2.05 8.00 -1.26 -4.85 116.55 108.06 3iwk n ASP 230 Ca -0.03 -0.52 -0.42 0.00 0.71 0.00 0.00 54.79 54.54 3iwk n ASP 230 Cb 0.16 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 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 -2.85 3.73 -0.14 2.53 1.01 -1.17 -4.68 120.40 118.83 3iwk s VAL 231 Ca 0.15 1.30 0.19 0.00 0.00 0.00 0.00 61.98 63.61 3iwk s VAL 231 Cb 0.18 -3.83 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 3iwk s VAL 231 CO 0.66 0.13 0.73 0.47 0.00 0.00 0.00 175.10 177.10 3iwk n ASP 232 N 3.50 0.65 -3.69 3.32 8.00 0.73 -4.96 116.55 124.11 3iwk n ASP 232 Ca 0.08 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 3iwk n ASP 232 Cb 0.45 0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 42.00 3iwk n ASP 232 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iwk s LYS 233 N -3.03 0.61 -0.17 -1.24 2.36 -1.12 -4.04 119.74 113.10 3iwk s LYS 233 Ca -0.04 0.80 -0.03 0.00 -2.55 0.00 0.00 55.97 54.15 3iwk s LYS 233 Cb 0.09 0.25 -0.02 0.00 -1.05 0.00 0.00 37.83 37.10 3iwk s LYS 233 CO 0.82 -0.09 -0.05 0.42 1.55 0.00 0.00 175.35 178.00 3iwk s ILE 234 N 0.57 3.60 -0.21 5.43 1.01 -0.93 -1.11 121.20 129.55 3iwk s ILE 234 Ca -0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 3iwk s ILE 234 Cb -0.05 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 3iwk s ILE 234 CO -0.03 0.47 -0.09 -0.55 0.00 0.00 0.00 174.94 174.75 3iwk s SER 235 N 0.72 3.98 0.04 3.58 0.15 0.12 -1.88 113.70 120.40 3iwk s SER 235 Ca -0.03 -0.47 0.05 0.00 0.70 0.00 0.00 55.95 56.21 3iwk s SER 235 Cb -0.15 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.47 3iwk s SER 235 CO 0.02 -0.02 -0.15 0.12 1.20 0.00 0.00 173.24 174.42 3iwk s PHE 236 N 1.43 1.30 -0.08 3.44 5.36 -0.61 -1.30 117.98 127.51 3iwk s PHE 236 Ca 0.06 -0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 55.63 3iwk s PHE 236 Cb -0.14 -0.77 0.05 0.00 -0.34 0.00 0.00 43.02 41.82 3iwk s PHE 236 CO -0.06 0.05 0.15 0.99 -1.46 0.00 0.00 175.22 174.89 3iwk s THR 237 N -0.87 -0.25 -1.75 0.12 2.01 -0.86 -1.27 115.64 112.77 3iwk s THR 237 Ca 0.02 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.38 3iwk s THR 237 Cb -0.08 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.14 3iwk s THR 237 CO 0.01 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 3iwk n GLY 238 N 5.29 -0.66 3.75 4.40 0.00 -0.60 -3.48 105.19 113.89 3iwk n GLY 238 Ca -0.05 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 4.87 0.22 1.61 1.04 -1.26 -3.57 113.70 112.60 3iwk s SER 239 Ca 0.00 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.52 3iwk s SER 239 Cb 0.00 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.86 3iwk s SER 239 CO 0.00 -1.80 1.75 0.28 0.98 0.00 0.00 173.24 174.45 3iwk h SER 240 N 0.11 0.29 -0.40 7.02 0.02 -1.95 -2.01 113.55 116.64 3iwk h SER 240 Ca -0.48 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 3iwk h SER 240 Cb 1.27 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 3iwk h SER 240 CO 0.53 0.16 -0.18 0.00 -1.14 0.00 0.00 176.83 176.20 3iwk h ALA 241 N 1.43 0.56 -0.41 3.77 0.00 -1.99 -1.36 119.26 121.26 3iwk h ALA 241 Ca 0.33 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 241 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iwk h ALA 241 CO -0.31 0.50 -0.33 1.15 0.00 0.00 0.00 179.25 180.27 3iwk h THR 242 N 0.64 1.27 -0.75 0.00 2.02 -1.93 -1.77 112.91 112.39 3iwk h THR 242 Ca 0.09 -1.50 0.07 0.00 0.77 0.00 0.00 66.41 65.83 3iwk h THR 242 Cb 0.73 1.31 -0.06 0.00 -1.74 0.00 0.00 68.15 68.40 3iwk h THR 242 CO 0.06 0.51 0.43 1.23 0.37 0.00 0.00 175.52 178.12 3iwk h GLY 243 N 0.78 1.12 0.72 2.16 0.00 -1.25 0.28 103.07 106.88 3iwk h GLY 243 Ca 0.07 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.15 3iwk h GLY 243 CO 0.09 0.18 0.26 0.23 0.00 0.00 0.00 176.54 177.30 3iwk h SER 244 N 0.78 0.37 -0.68 0.19 0.87 -1.01 -1.50 113.55 112.57 3iwk h SER 244 Ca 0.34 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.85 3iwk h SER 244 Cb 0.21 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3iwk h SER 244 CO -0.19 0.25 0.14 0.11 -0.53 0.00 0.00 176.83 176.62 3iwk h LYS 245 N 0.50 1.11 -0.11 2.24 1.57 -0.34 -2.33 116.57 119.21 3iwk h LYS 245 Ca 0.23 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3iwk h LYS 245 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3iwk h LYS 245 CO -0.16 1.00 0.03 0.82 -0.57 0.00 0.00 179.45 180.56 3iwk h ILE 246 N 1.04 0.96 -0.42 1.86 1.08 -0.22 -1.31 117.51 120.50 3iwk h ILE 246 Ca 0.21 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.62 3iwk h ILE 246 Cb 0.40 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 3iwk h ILE 246 CO 0.01 0.01 0.10 -0.03 -0.69 0.00 0.00 178.15 177.55 3iwk h MET 247 N 0.08 0.63 -0.35 2.37 4.05 -1.21 -0.76 114.93 119.74 3iwk h MET 247 Ca 0.05 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.31 3iwk h MET 247 Cb 0.04 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3iwk h MET 247 CO -0.06 0.58 0.05 1.15 0.23 0.00 0.00 176.91 178.86 3iwk h THR 248 N 0.61 1.24 -0.63 -0.77 2.02 -1.08 -1.48 112.91 112.82 3iwk h THR 248 Ca 0.14 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 3iwk h THR 248 Cb 0.24 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3iwk h THR 248 CO -0.00 0.29 0.13 0.74 0.37 0.00 0.00 175.52 177.05 3iwk h THR 249 N 0.42 1.26 -0.50 3.16 2.02 -0.86 -2.80 112.91 115.60 3iwk h THR 249 Ca 0.11 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 3iwk h THR 249 Cb 0.37 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3iwk h THR 249 CO 0.01 0.36 0.11 0.00 0.37 0.00 0.00 175.52 176.37 3iwk h ALA 250 N 1.04 1.27 -0.49 6.16 0.00 -1.06 -2.92 119.26 123.26 3iwk h ALA 250 Ca 0.20 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3iwk h ALA 250 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3iwk h ALA 250 CO 0.01 0.51 0.32 0.00 0.00 0.00 0.00 179.25 180.09 3iwk h ALA 251 N 1.40 1.71 -0.94 0.00 0.00 -1.00 0.26 119.26 120.69 3iwk h ALA 251 Ca 0.16 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.24 3iwk h ALA 251 Cb 0.28 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 3iwk h ALA 251 CO -0.00 0.25 0.51 1.96 0.00 0.00 0.00 179.25 181.97 3iwk h GLN 252 N 0.61 0.58 -0.04 0.00 1.08 -1.45 -1.97 115.11 113.92 3iwk h GLN 252 Ca 0.19 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3iwk h GLN 252 Cb 0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3iwk h GLN 252 CO -0.04 0.39 0.00 1.28 -0.95 0.00 0.00 178.83 179.50 3iwk n LEU 253 N -4.89 2.53 -3.95 1.46 4.32 -0.95 -5.01 117.00 110.52 3iwk n LEU 253 Ca 0.22 -2.91 -0.28 0.00 -0.02 0.00 0.00 56.01 53.03 3iwk n LEU 253 Cb 0.59 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3iwk n LEU 253 CO 0.18 0.68 -0.07 0.52 -1.22 0.00 0.00 177.39 177.48 3iwk n VAL 254 N -1.14 -2.68 -3.10 4.08 0.31 0.66 -4.96 118.33 111.51 3iwk n VAL 254 Ca 0.14 -0.27 -0.39 0.00 -0.01 0.00 0.00 64.34 63.81 3iwk n VAL 254 Cb 0.62 -2.74 -0.05 0.00 -0.91 0.00 0.00 33.84 30.75 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 -6.53 4.40 0.79 5.55 1.02 0.17 -4.97 119.74 120.17 3iwk s LYS 255 Ca 0.32 0.91 -0.14 0.00 0.02 0.00 0.00 55.97 57.09 3iwk s LYS 255 Cb -0.17 -3.33 0.07 0.00 -0.52 0.00 0.00 37.83 33.89 3iwk s LYS 255 CO 0.87 0.40 1.22 -0.35 -0.92 0.00 0.00 175.35 176.56 3iwk n PRO 256 N 2.47 0.29 -3.78 -1.68 -0.04 -1.26 -4.65 135.00 126.35 3iwk n PRO 256 Ca -0.06 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 3iwk n PRO 256 Cb 0.50 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.40 3iwk n PRO 256 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iwk s VAL 257 N -2.04 0.00 -0.00 0.52 1.01 -1.26 -2.20 120.40 116.44 3iwk s VAL 257 Ca 0.75 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.75 3iwk s VAL 257 Cb -0.30 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 3iwk s VAL 257 CO 0.49 -0.02 -0.21 -0.94 0.00 0.00 0.00 175.10 174.42 3iwk s SER 258 N 0.04 2.44 -0.07 3.32 1.04 -0.79 -4.90 113.70 114.78 3iwk s SER 258 Ca -0.01 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 3iwk s SER 258 Cb -0.02 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3iwk s SER 258 CO 0.01 0.24 -0.01 -0.76 0.98 0.00 0.00 173.24 173.70 3iwk s LEU 259 N -0.62 0.67 -0.32 2.42 1.43 -0.55 -1.57 118.68 120.13 3iwk s LEU 259 Ca 0.08 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 3iwk s LEU 259 Cb -0.08 -0.46 0.05 0.00 0.03 0.00 0.00 46.19 45.73 3iwk s LEU 259 CO -0.00 -0.18 0.06 -1.61 0.23 0.00 0.00 176.35 174.84 3iwk s GLU 260 N 1.88 2.50 0.44 1.70 2.02 -0.39 -1.83 118.70 125.02 3iwk s GLU 260 Ca 0.04 -1.25 0.03 0.00 0.02 0.00 0.00 54.97 53.81 3iwk s GLU 260 Cb -0.12 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.81 3iwk s GLU 260 CO -0.05 -0.66 0.24 1.28 0.02 0.00 0.00 175.26 176.09 3iwk n LEU 261 N 4.71 0.00 0.00 1.80 4.77 -0.52 -1.56 117.00 126.19 3iwk n LEU 261 Ca -0.12 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 3iwk n LEU 261 Cb 0.44 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3iwk n LEU 261 CO 0.29 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 3iwk n GLY 262 N -0.28 -1.39 3.84 -0.72 0.00 -1.23 -4.87 105.19 100.54 3iwk n GLY 262 Ca -0.06 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 3iwk n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 263 N -0.39 -0.05 -0.42 -0.02 0.00 -1.14 -4.52 107.32 100.77 3iwk s GLY 263 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.72 3iwk s GLY 263 CO 0.00 2.16 0.52 1.17 0.00 0.00 0.00 173.10 176.95 3iwk n LYS 264 N -0.66 0.83 -2.45 2.90 3.00 -1.26 -4.64 118.16 115.87 3iwk n LYS 264 Ca -0.03 -3.38 -0.41 0.00 -0.00 0.00 0.00 58.31 54.49 3iwk n LYS 264 Cb 0.60 -1.40 -0.04 0.00 0.00 0.00 0.00 35.03 34.20 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 -1.13 7.19 0.21 3.14 0.01 -1.17 -4.76 113.70 117.19 3iwk s SER 265 Ca 0.35 2.17 -0.15 0.00 1.31 0.00 0.00 55.95 59.64 3iwk s SER 265 Cb 0.15 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 3iwk s SER 265 CO -0.11 -0.27 0.62 -2.16 0.41 0.00 0.00 173.24 171.73 3iwk s PRO 266 N -0.48 4.01 -0.17 12.44 0.04 -1.26 -1.62 135.00 147.95 3iwk s PRO 266 Ca 0.50 0.56 0.01 0.00 0.04 0.00 0.00 61.00 62.11 3iwk s PRO 266 Cb -0.31 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.47 3iwk s PRO 266 CO 0.37 0.37 -0.17 -1.50 0.04 0.00 0.00 177.00 176.10 3iwk s ILE 267 N -1.65 2.37 -0.26 0.56 2.07 0.04 -1.07 121.20 123.25 3iwk s ILE 267 Ca 0.44 -0.85 -0.09 0.00 -1.41 0.00 0.00 60.65 58.74 3iwk s ILE 267 Cb -0.14 -2.00 -0.04 0.00 0.13 0.00 0.00 42.46 40.42 3iwk s ILE 267 CO 0.20 0.52 0.13 -0.69 -1.91 0.00 0.00 174.94 173.18 3iwk s VAL 268 N 1.11 4.80 -0.26 4.00 1.01 0.37 -1.14 120.40 130.30 3iwk s VAL 268 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 3iwk s VAL 268 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3iwk s VAL 268 CO -0.07 0.30 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 3iwk s VAL 269 N 1.64 3.61 0.77 2.92 1.01 -0.23 -0.43 120.40 129.70 3iwk s VAL 269 Ca 0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3iwk s VAL 269 Cb -0.15 -2.78 0.12 0.00 0.00 0.00 0.00 36.38 33.57 3iwk s VAL 269 CO 0.07 0.23 1.08 -0.36 0.00 0.00 0.00 175.10 176.12 3iwk s PHE 270 N 1.47 2.08 -0.03 5.22 0.08 -0.65 -1.45 117.98 124.70 3iwk s PHE 270 Ca 0.03 0.13 0.18 0.00 0.12 0.00 0.00 56.93 57.40 3iwk s PHE 270 Cb -0.16 -3.36 0.38 0.00 -0.57 0.00 0.00 43.02 39.31 3iwk s PHE 270 CO -0.00 -1.83 1.59 1.05 -0.10 0.00 0.00 175.22 175.92 3iwk h GLU 271 N -0.83 0.00 -3.76 0.44 9.09 -1.92 -3.39 114.58 114.21 3iwk h GLU 271 Ca -0.41 0.00 -0.75 0.00 0.05 0.00 0.00 59.36 58.25 3iwk h GLU 271 Cb 1.28 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 28.23 3iwk h GLU 271 CO 0.47 0.41 1.99 -0.40 0.05 0.00 0.00 179.01 181.52 3iwk n ASP 272 N -3.32 5.04 -3.79 3.06 5.75 -1.26 -4.91 116.55 117.12 3iwk n ASP 272 Ca 0.01 -3.07 -0.13 0.00 -0.01 0.00 0.00 54.79 51.59 3iwk n ASP 272 Cb 0.62 -1.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.11 3iwk n ASP 272 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iwk s VAL 273 N 0.78 0.06 -0.42 2.12 0.11 -1.26 -1.26 120.40 120.54 3iwk s VAL 273 Ca 0.41 -0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 58.66 3iwk s VAL 273 Cb 0.08 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 3iwk s VAL 273 CO -0.00 -0.28 1.27 -0.62 -3.33 0.00 0.00 175.10 172.14 3iwk s ASP 274 N -1.31 6.54 0.18 3.54 -1.08 -1.26 -4.92 116.67 118.37 3iwk s ASP 274 Ca -0.14 0.75 -0.13 0.00 -0.52 0.00 0.00 52.55 52.52 3iwk s ASP 274 Cb -0.06 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 38.99 3iwk s ASP 274 CO 0.04 -1.28 1.82 -0.07 0.52 0.00 0.00 175.17 176.20 3iwk h LEU 275 N 11.50 0.54 -0.58 -1.34 4.07 -1.99 -2.09 115.31 125.42 3iwk h LEU 275 Ca -0.25 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.60 3iwk h LEU 275 Cb 1.08 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 3iwk h LEU 275 CO 1.09 0.38 -0.17 0.44 -1.08 0.00 0.00 178.44 179.10 3iwk h ASP 276 N 0.66 0.97 -0.18 -0.43 3.32 -1.99 -0.82 116.42 117.95 3iwk h ASP 276 Ca 0.23 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.82 3iwk h ASP 276 Cb 0.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3iwk h ASP 276 CO -0.10 1.11 -0.35 0.11 -1.72 0.00 0.00 179.24 178.29 3iwk h LYS 277 N 0.84 0.56 -0.17 3.56 1.57 -1.91 -2.89 116.57 118.13 3iwk h LYS 277 Ca 0.12 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3iwk h LYS 277 Cb 0.72 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3iwk h LYS 277 CO 0.06 0.97 -0.30 -0.24 -0.57 0.00 0.00 179.45 179.37 3iwk h VAL 278 N 0.21 1.27 -0.71 0.50 3.04 -1.42 -2.97 116.25 116.18 3iwk h VAL 278 Ca 0.01 -1.29 0.10 0.00 -1.01 0.00 0.00 66.70 64.51 3iwk h VAL 278 Cb 0.95 1.47 -0.07 0.00 -2.01 0.00 0.00 31.29 31.63 3iwk h VAL 278 CO 0.08 0.40 0.34 0.00 -1.01 0.00 0.00 177.57 177.38 3iwk h ALA 279 N 1.40 0.98 -0.41 3.17 0.00 -1.02 -0.08 119.26 123.30 3iwk h ALA 279 Ca 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iwk h ALA 279 Cb 0.68 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3iwk h ALA 279 CO 0.05 -0.06 0.12 1.49 0.00 0.00 0.00 179.25 180.85 3iwk h GLU 280 N 0.58 0.64 -0.82 0.00 4.81 -1.36 -2.53 114.58 115.90 3iwk h GLU 280 Ca 0.35 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3iwk h GLU 280 Cb 0.38 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3iwk h GLU 280 CO -0.28 0.64 0.53 -1.49 -0.73 0.00 0.00 179.01 177.68 3iwk h TRP 281 N 0.52 0.99 -0.27 0.92 -0.00 -1.16 0.21 115.95 117.16 3iwk h TRP 281 Ca 0.13 0.03 -0.19 0.00 -0.00 0.00 0.00 58.89 58.86 3iwk h TRP 281 Cb 0.28 -0.33 0.00 0.00 -0.00 0.00 0.00 29.16 29.11 3iwk h TRP 281 CO 0.01 0.57 -0.56 0.00 -0.00 0.00 0.00 178.44 178.46 3iwk h THR 282 N 1.03 1.28 -0.67 1.49 1.03 -1.02 0.39 112.91 116.44 3iwk h THR 282 Ca 0.33 -1.75 -0.01 0.00 -0.01 0.00 0.00 66.41 64.96 3iwk h THR 282 Cb 0.01 1.66 -0.03 0.00 -1.07 0.00 0.00 68.15 68.72 3iwk h THR 282 CO -0.11 0.57 0.36 0.58 -0.01 0.00 0.00 175.52 176.91 3iwk h VAL 283 N 0.65 1.21 -0.38 0.00 2.07 -1.23 -2.21 116.25 116.36 3iwk h VAL 283 Ca 0.01 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3iwk h VAL 283 Cb 1.17 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3iwk h VAL 283 CO 0.12 0.23 0.12 0.15 0.02 0.00 0.00 177.57 178.22 3iwk h PHE 284 N 0.92 0.61 -0.10 1.57 3.04 -0.37 0.31 116.94 122.92 3iwk h PHE 284 Ca 0.23 -0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.15 3iwk h PHE 284 Cb 0.05 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 3iwk h PHE 284 CO -0.00 0.58 0.10 0.78 -2.02 0.00 0.00 178.31 177.74 3iwk h GLY 285 N 0.47 0.00 0.00 2.40 0.00 0.05 -2.95 103.07 103.03 3iwk h GLY 285 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 3iwk h GLY 285 CO -0.00 0.00 -1.65 0.00 0.00 0.00 0.00 176.54 174.88 3iwk n PHE 287 N -2.41 0.00 -1.55 0.00 0.99 0.11 -3.98 117.46 110.62 3iwk n PHE 287 Ca -0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.88 3iwk n PHE 287 Cb 0.80 -0.70 0.02 0.00 -1.00 0.00 0.00 39.48 38.59 3iwk n PHE 287 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iwk n PHE 288 N -2.46 0.41 -3.09 1.38 -0.00 -1.12 -0.88 117.46 111.70 3iwk n PHE 288 Ca -0.16 0.54 -0.22 0.00 -0.00 0.00 0.00 57.45 57.61 3iwk n PHE 288 Cb 0.81 -2.11 0.02 0.00 -0.00 0.00 0.00 39.48 38.20 3iwk n PHE 288 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3iwk n THR 289 N -0.91 -1.68 -3.11 -2.13 -1.04 -1.26 -1.24 114.28 102.91 3iwk n THR 289 Ca 0.11 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.90 3iwk n THR 289 Cb 0.41 -2.97 0.01 0.00 -1.82 0.00 0.00 70.33 65.96 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 -2.43 -4.82 0.00 8.00 3.02 -0.74 -1.23 115.26 117.06 3iwk n ASN 290 Ca -0.09 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 3iwk n ASN 290 Cb 0.60 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.29 0.88 2.58 7.41 0.00 -0.06 -3.05 105.19 111.67 3iwk n GLY 291 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3iwk n GLY 291 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iwk n GLN 292 N -2.00 4.42 -5.21 1.61 6.02 -0.36 -3.65 117.38 118.21 3iwk n GLN 292 Ca 0.00 -3.55 -0.32 0.00 -0.01 0.00 0.00 57.00 53.12 3iwk n GLN 292 Cb 0.00 -2.69 -0.17 0.00 1.02 0.00 0.00 30.24 28.41 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 -0.99 2.12 0.30 5.09 1.01 -1.26 -4.81 121.20 122.67 3iwk s ILE 293 Ca 0.50 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3iwk s ILE 293 Cb 0.16 -1.80 0.28 0.00 0.01 0.00 0.00 42.46 41.11 3iwk s ILE 293 CO -0.07 0.56 1.92 0.00 0.00 0.00 0.00 174.94 177.35 3iwk n SER 295 N -4.48 3.99 -4.59 0.00 3.41 -1.26 -2.90 113.62 107.79 3iwk n SER 295 Ca 0.13 -2.21 -0.52 0.00 -0.26 0.00 0.00 58.87 56.01 3iwk n SER 295 Cb 0.19 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.23 -0.98 -2.79 7.33 0.00 -0.91 -4.63 120.51 119.76 3iwk n ALA 296 Ca 0.23 0.52 -0.43 0.00 0.00 0.00 0.00 53.44 53.75 3iwk n ALA 296 Cb 0.70 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 3iwk n ALA 296 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iwk s THR 297 N 0.45 4.54 -1.91 0.00 -4.23 -0.42 -3.04 115.64 111.03 3iwk s THR 297 Ca 0.84 -1.86 0.24 0.00 -1.18 0.00 0.00 61.69 59.73 3iwk s THR 297 Cb -0.95 -4.97 0.09 0.00 1.34 0.00 0.00 72.50 68.01 3iwk s THR 297 CO 0.47 -1.74 1.27 -1.54 -0.54 0.00 0.00 174.62 172.53 3iwk n SER 298 N 7.11 1.63 -4.20 3.99 3.41 -0.64 -4.18 113.62 120.75 3iwk n SER 298 Ca 0.36 -1.27 -0.35 0.00 -0.26 0.00 0.00 58.87 57.35 3iwk n SER 298 Cb 0.47 0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 64.64 3iwk n SER 298 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iwk s ARG 299 N -2.50 2.63 -0.16 4.33 0.52 -1.08 -1.61 118.95 121.09 3iwk s ARG 299 Ca 0.20 -1.13 -0.17 0.00 -0.52 0.00 0.00 55.73 54.11 3iwk s ARG 299 Cb 0.18 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 3iwk s ARG 299 CO 0.56 -0.53 0.44 -1.17 0.02 0.00 0.00 175.30 174.62 3iwk s LEU 300 N 1.30 4.22 -0.40 2.53 0.20 0.13 -0.78 118.68 125.87 3iwk s LEU 300 Ca -0.03 0.67 0.03 0.00 0.69 0.00 0.00 54.13 55.50 3iwk s LEU 300 Cb -0.18 -2.61 0.11 0.00 -0.43 0.00 0.00 46.19 43.08 3iwk s LEU 300 CO -0.02 -0.03 0.14 -0.63 -0.29 0.00 0.00 176.35 175.52 3iwk s ILE 301 N 0.94 2.09 -0.12 6.68 1.01 -0.29 -0.18 121.20 131.33 3iwk s ILE 301 Ca 0.23 -2.54 -0.06 0.00 0.00 0.00 0.00 60.65 58.28 3iwk s ILE 301 Cb -0.15 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3iwk s ILE 301 CO 0.09 -0.70 0.09 -0.69 0.00 0.00 0.00 174.94 173.72 3iwk s VAL 302 N 0.57 5.05 0.32 2.92 1.01 -0.63 -1.07 120.40 128.57 3iwk s VAL 302 Ca 0.13 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 3iwk s VAL 302 Cb -0.21 -3.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.85 3iwk s VAL 302 CO -0.07 0.59 1.31 1.57 0.00 0.00 0.00 175.10 178.50 3iwk n HIS 303 N 2.26 2.24 0.25 5.22 -0.00 -0.53 -1.00 115.22 123.66 3iwk n HIS 303 Ca -0.19 0.53 0.09 0.00 0.46 0.00 0.00 57.72 58.60 3iwk n HIS 303 Cb 0.54 -2.42 0.64 0.00 -0.12 0.00 0.00 29.99 28.62 3iwk n HIS 303 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3iwk h GLU 304 N 2.93 0.00 0.00 1.57 4.11 -0.76 -2.06 114.58 120.37 3iwk h GLU 304 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3iwk h GLU 304 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3iwk h GLU 304 CO 0.66 0.09 0.00 -1.13 0.07 0.00 0.00 179.01 178.69 3iwk n SER 305 N -4.24 0.00 0.00 3.06 3.41 -1.26 -2.94 113.62 111.65 3iwk n SER 305 Ca -0.03 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3iwk n SER 305 Cb 0.17 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3iwk n SER 305 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3iwk n ILE 306 N -1.50 0.00 -0.16 -1.33 -5.35 -1.10 -4.93 119.36 104.99 3iwk n ILE 306 Ca 0.05 -0.25 -0.03 0.00 -0.27 0.00 0.00 62.75 62.25 3iwk n ILE 306 Cb 0.22 1.47 0.03 0.00 -1.74 0.00 0.00 39.64 39.62 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 0.00 0.24 0.03 -1.28 0.00 -1.26 0.11 119.26 117.10 3iwk h ALA 307 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 307 Cb 0.23 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iwk h ALA 307 CO 0.00 -0.50 -0.99 -0.24 0.00 0.00 0.00 179.25 177.52 3iwk h VAL 308 N -0.06 1.44 -0.34 0.00 3.04 -1.89 -0.69 116.25 117.75 3iwk h VAL 308 Ca 0.24 -2.60 -0.10 0.00 -1.01 0.00 0.00 66.70 63.23 3iwk h VAL 308 Cb 0.43 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 3iwk h VAL 308 CO -0.55 0.77 -0.17 -0.08 -1.01 0.00 0.00 177.57 176.53 3iwk h GLU 309 N 0.18 0.71 -0.19 4.17 4.81 -1.89 -2.11 114.58 120.26 3iwk h GLU 309 Ca -0.08 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 3iwk h GLU 309 Cb 1.64 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 3iwk h GLU 309 CO 0.17 0.91 0.05 0.35 -0.73 0.00 0.00 179.01 179.76 3iwk h PHE 310 N 0.48 0.32 -0.46 0.92 3.57 -0.75 -1.59 116.94 119.43 3iwk h PHE 310 Ca 0.07 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3iwk h PHE 310 Cb 0.71 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3iwk h PHE 310 CO 0.06 0.42 0.14 0.28 -2.23 0.00 0.00 178.31 176.99 3iwk h VAL 311 N 0.12 1.19 -0.09 1.41 2.07 -1.17 -1.16 116.25 118.62 3iwk h VAL 311 Ca 0.06 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3iwk h VAL 311 Cb 0.27 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3iwk h VAL 311 CO 0.00 0.24 0.06 -0.78 0.02 0.00 0.00 177.57 177.11 3iwk h ASP 312 N 0.66 0.10 -0.95 0.57 3.58 -1.11 -1.61 116.42 117.67 3iwk h ASP 312 Ca 0.15 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.62 3iwk h ASP 312 Cb 0.20 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 3iwk h ASP 312 CO -0.01 0.08 0.62 0.11 -2.88 0.00 0.00 179.24 177.17 3iwk h LYS 313 N 0.11 1.19 -0.59 0.28 1.57 -0.82 -2.25 116.57 116.07 3iwk h LYS 313 Ca 0.03 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3iwk h LYS 313 Cb -0.00 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 31.98 3iwk h LYS 313 CO -0.01 0.79 0.27 -0.07 -0.57 0.00 0.00 179.45 179.86 3iwk h LEU 314 N 1.23 0.35 -0.35 2.94 4.07 -0.87 -1.00 115.31 121.68 3iwk h LEU 314 Ca 0.36 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.39 3iwk h LEU 314 Cb -0.06 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3iwk h LEU 314 CO -0.10 0.23 0.20 0.58 -1.08 0.00 0.00 178.44 178.27 3iwk h VAL 315 N 0.50 1.02 -0.48 1.22 2.07 -0.74 0.15 116.25 119.99 3iwk h VAL 315 Ca 0.28 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3iwk h VAL 315 Cb 0.25 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3iwk h VAL 315 CO -0.22 0.07 0.28 0.11 0.02 0.00 0.00 177.57 177.83 3iwk h LYS 316 N 0.40 0.66 -0.32 1.57 1.57 -1.13 0.70 116.57 120.03 3iwk h LYS 316 Ca 0.14 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3iwk h LYS 316 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3iwk h LYS 316 CO -0.07 0.50 0.15 -1.49 -0.57 0.00 0.00 179.45 177.96 3iwk h TRP 317 N 0.64 0.47 -0.34 -1.35 4.06 -1.02 -2.70 115.95 115.71 3iwk h TRP 317 Ca 0.17 -0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.13 3iwk h TRP 317 Cb 0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 3iwk h TRP 317 CO -0.03 0.42 0.14 0.00 -3.56 0.00 0.00 178.44 175.41 3iwk h ALA 318 N 1.00 0.40 0.00 1.49 0.00 -0.31 -2.49 119.26 119.35 3iwk h ALA 318 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iwk h ALA 318 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iwk h ALA 318 CO -0.01 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.38 3iwk n GLU 319 N -4.99 0.08 0.00 0.00 1.02 0.21 -2.60 120.64 114.36 3iwk n GLU 319 Ca 0.01 0.24 0.11 0.00 -0.02 0.00 0.00 57.16 57.50 3iwk n GLU 319 Cb 0.11 -1.64 0.14 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.79 0.70 -4.66 1.62 5.15 -0.95 -4.91 115.26 110.43 3iwk n ASN 320 Ca 0.04 -0.52 -0.42 0.00 -0.60 0.00 0.00 54.58 53.07 3iwk n ASN 320 Cb 0.25 0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.95 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 -2.97 3.53 -0.04 -1.44 1.01 -1.07 -4.94 121.20 115.29 3iwk s ILE 321 Ca 0.11 0.64 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 3iwk s ILE 321 Cb 0.17 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 3iwk s ILE 321 CO 0.74 -0.07 1.62 -0.75 0.00 0.00 0.00 174.94 176.48 3iwk s LYS 322 N 4.16 4.19 -0.22 2.79 2.20 -1.26 -4.90 119.74 126.71 3iwk s LYS 322 Ca 0.75 2.17 -0.06 0.00 -0.36 0.00 0.00 55.97 58.47 3iwk s LYS 322 Cb -0.33 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.05 3iwk s LYS 322 CO 0.31 -0.81 0.03 -1.50 -0.36 0.00 0.00 175.35 173.02 3iwk s ILE 323 N 3.75 4.17 0.32 5.43 1.10 -1.26 -1.23 121.20 133.47 3iwk s ILE 323 Ca 0.72 -0.23 -0.16 0.00 -0.51 0.00 0.00 60.65 60.47 3iwk s ILE 323 Cb -0.33 -2.91 0.06 0.00 0.15 0.00 0.00 42.46 39.43 3iwk s ILE 323 CO 0.29 0.40 0.82 -1.54 -2.11 0.00 0.00 174.94 172.80 3iwk n SER 324 N 4.41 -2.05 -4.69 4.50 3.41 -1.07 -5.01 113.62 113.12 3iwk n SER 324 Ca -0.17 -2.34 -0.43 0.00 -0.26 0.00 0.00 58.87 55.67 3iwk n SER 324 Cb 0.52 3.40 -0.02 0.00 -0.26 0.00 0.00 64.21 67.85 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 -1.44 2.91 0.30 4.04 2.03 -1.26 -4.38 116.55 118.75 3iwk n ASP 325 Ca -0.07 1.17 0.17 0.00 0.52 0.00 0.00 54.79 56.59 3iwk n ASP 325 Cb 0.56 -1.47 0.95 0.00 -0.72 0.00 0.00 41.12 40.44 3iwk n ASP 325 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iwk h PRO 326 N 3.64 0.00 0.00 -0.67 0.11 -1.87 -2.00 132.00 131.21 3iwk h PRO 326 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iwk h PRO 326 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iwk h PRO 326 CO 0.71 0.03 -0.43 1.28 -0.21 0.00 0.00 178.00 179.38 3iwk n LEU 327 N -3.46 0.45 -4.77 2.35 4.77 -1.26 -1.07 117.00 114.01 3iwk n LEU 327 Ca -0.02 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.69 3iwk n LEU 327 Cb 0.14 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 3iwk n LEU 327 CO 0.25 0.07 0.85 -0.70 -1.33 0.00 0.00 177.39 176.54 3iwk s GLU 328 N -3.03 4.34 0.19 3.23 2.12 -0.75 -4.96 118.70 119.84 3iwk s GLU 328 Ca 0.11 1.91 -0.33 0.00 0.36 0.00 0.00 54.97 57.01 3iwk s GLU 328 Cb 0.17 -2.95 -0.13 0.00 0.26 0.00 0.00 34.13 31.48 3iwk s GLU 328 CO 0.67 -0.09 1.54 -1.91 -0.54 0.00 0.00 175.26 174.93 3iwk n GLU 329 N 0.64 2.19 -1.00 4.30 2.13 -1.26 -2.70 120.64 124.93 3iwk n GLU 329 Ca 0.01 0.79 -0.00 0.00 0.66 0.00 0.00 57.16 58.62 3iwk n GLU 329 Cb 0.45 -2.53 -0.00 0.00 0.27 0.00 0.00 31.44 29.63 3iwk n GLU 329 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iwk n GLY 330 N 3.02 0.47 3.72 8.31 0.00 -1.26 -5.00 105.19 114.46 3iwk n GLY 330 Ca 0.15 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.78 0.02 -3.62 0.00 5.12 -0.37 -4.82 116.66 116.78 3iwk n ARG 332 Ca 0.13 -0.38 -0.04 0.00 -1.93 0.00 0.00 57.85 55.63 3iwk n ARG 332 Cb 0.38 -0.88 -0.06 0.00 -1.16 0.00 0.00 32.46 30.75 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 -0.23 -0.97 0.00 0.55 2.96 -0.84 -4.89 118.68 115.26 3iwk s LEU 333 Ca 0.00 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 3iwk s LEU 333 Cb 0.00 1.93 0.00 0.00 0.50 0.00 0.00 46.19 48.62 3iwk s LEU 333 CO 0.00 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 3iwk n GLY 334 N 5.43 1.40 3.92 7.98 0.00 -1.26 -2.59 105.19 120.07 3iwk n GLY 334 Ca -0.10 -2.00 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 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 0.24 3.54 0.52 1.61 0.04 -1.24 -4.76 135.00 134.96 3iwk s PRO 335 Ca 0.00 -0.03 -0.23 0.00 0.04 0.00 0.00 61.00 60.78 3iwk s PRO 335 Cb 0.00 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 3iwk s PRO 335 CO 0.00 0.01 1.39 0.42 0.04 0.00 0.00 177.00 178.86 3iwk s ILE 336 N -2.45 2.01 0.34 0.56 -1.09 0.15 -4.71 121.20 116.02 3iwk s ILE 336 Ca 0.44 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.93 3iwk s ILE 336 Cb -0.10 -3.01 0.30 0.00 -1.58 0.00 0.00 42.46 38.08 3iwk s ILE 336 CO 0.38 0.00 1.91 1.62 -1.23 0.00 0.00 174.94 177.62 3iwk h VAL 337 N 1.70 0.95 -4.02 2.92 3.04 -1.89 -3.43 116.25 115.53 3iwk h VAL 337 Ca -0.51 -0.27 -0.13 0.00 -1.01 0.00 0.00 66.70 64.78 3iwk h VAL 337 Cb 1.29 0.09 -0.11 0.00 -2.01 0.00 0.00 31.29 30.54 3iwk h VAL 337 CO 0.58 0.15 -0.31 -0.94 -1.01 0.00 0.00 177.57 176.03 3iwk s SER 338 N -5.97 0.01 0.08 3.17 1.04 -1.26 -4.53 113.70 106.23 3iwk s SER 338 Ca -0.10 -1.11 -0.22 0.00 0.48 0.00 0.00 55.95 55.00 3iwk s SER 338 Cb 0.21 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.71 3iwk s SER 338 CO 0.79 -1.02 1.61 -0.08 0.98 0.00 0.00 173.24 175.51 3iwk h GLU 339 N 2.40 0.18 -0.70 4.02 4.81 -1.98 -1.34 114.58 121.97 3iwk h GLU 339 Ca -0.30 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3iwk h GLU 339 Cb 1.25 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 3iwk h GLU 339 CO 0.42 0.29 0.41 0.00 -0.73 0.00 0.00 179.01 179.40 3iwk h ALA 340 N 0.89 0.93 -0.32 2.92 0.00 -1.99 -0.48 119.26 121.21 3iwk h ALA 340 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 340 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iwk h ALA 340 CO -0.00 0.12 -0.22 1.96 0.00 0.00 0.00 179.25 181.11 3iwk h GLN 341 N 0.76 0.62 -0.11 0.00 1.08 -1.96 -1.99 115.11 113.52 3iwk h GLN 341 Ca 0.30 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3iwk h GLN 341 Cb 0.14 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3iwk h GLN 341 CO -0.16 0.80 0.02 -0.92 -0.95 0.00 0.00 178.83 177.62 3iwk h TYR 342 N 0.55 0.20 -0.57 2.96 3.20 -0.57 -1.52 116.97 121.21 3iwk h TYR 342 Ca 0.08 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.99 3iwk h TYR 342 Cb 0.68 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.84 3iwk h TYR 342 CO 0.03 0.37 0.28 0.87 -1.64 0.00 0.00 178.16 178.07 3iwk h LYS 343 N -0.03 0.51 -0.55 1.82 1.57 -1.03 -1.26 116.57 117.60 3iwk h LYS 343 Ca 0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3iwk h LYS 343 Cb 0.27 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3iwk h LYS 343 CO 0.00 0.34 0.34 0.87 -0.57 0.00 0.00 179.45 180.43 3iwk h LYS 344 N 0.53 0.66 -0.15 3.15 1.57 -1.22 0.25 116.57 121.36 3iwk h LYS 344 Ca 0.26 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3iwk h LYS 344 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3iwk h LYS 344 CO -0.20 0.44 0.05 0.28 -0.57 0.00 0.00 179.45 179.45 3iwk h VAL 345 N 0.68 1.17 -0.57 0.50 2.07 -1.02 -1.77 116.25 117.31 3iwk h VAL 345 Ca 0.22 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3iwk h VAL 345 Cb -0.01 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3iwk h VAL 345 CO -0.08 0.16 0.31 -0.07 0.02 0.00 0.00 177.57 177.90 3iwk h LEU 346 N 0.07 0.69 -0.98 2.57 3.38 -1.07 -2.29 115.31 117.68 3iwk h LEU 346 Ca 0.05 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 346 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3iwk h LEU 346 CO -0.00 0.56 -0.26 0.78 0.09 0.00 0.00 178.44 179.60 3iwk h ASN 347 N 0.78 0.43 -0.46 -0.43 2.35 -0.67 -0.40 115.58 117.18 3iwk h ASN 347 Ca 0.20 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3iwk h ASN 347 Cb 0.02 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3iwk h ASN 347 CO -0.03 0.69 0.11 0.00 -1.65 0.00 0.00 177.43 176.54 3iwk h ILE 349 N 0.61 1.26 -0.28 0.00 2.04 -1.24 -1.95 117.51 117.96 3iwk h ILE 349 Ca 0.14 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 3iwk h ILE 349 Cb 0.33 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3iwk h ILE 349 CO 0.00 0.37 -0.03 -1.28 0.00 0.00 0.00 178.15 177.20 3iwk h SER 350 N 0.99 0.51 -0.47 1.72 0.87 -0.81 -2.84 113.55 113.53 3iwk h SER 350 Ca 0.21 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.39 3iwk h SER 350 Cb 0.38 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 3iwk h SER 350 CO 0.00 0.73 0.17 0.28 -0.53 0.00 0.00 176.83 177.48 3iwk h SER 351 N 0.29 0.71 -0.57 6.23 0.02 -0.60 -1.91 113.55 117.73 3iwk h SER 351 Ca 0.07 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3iwk h SER 351 Cb 0.49 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3iwk h SER 351 CO 0.02 0.68 0.33 0.00 -1.14 0.00 0.00 176.83 176.71 3iwk h ALA 352 N 1.43 0.72 0.10 3.77 0.00 -1.23 -0.53 119.26 123.52 3iwk h ALA 352 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iwk h ALA 352 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 352 CO -0.01 0.22 -0.20 0.87 0.00 0.00 0.00 179.25 180.13 3iwk h LYS 353 N 0.76 -0.36 -0.96 0.00 1.57 -1.25 -0.57 116.57 115.76 3iwk h LYS 353 Ca 0.20 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.20 3iwk h LYS 353 Cb 0.01 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.32 3iwk h LYS 353 CO -0.04 -0.24 0.61 0.77 -0.57 0.00 0.00 179.45 179.99 3iwk h SER 354 N -0.37 0.60 0.37 0.86 0.02 -0.89 0.13 113.55 114.26 3iwk h SER 354 Ca 0.03 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3iwk h SER 354 Cb 0.40 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3iwk h SER 354 CO -0.12 0.23 -0.06 -0.62 -1.14 0.00 0.00 176.83 175.12 3iwk n GLU 355 N -4.63 0.67 -0.11 3.45 1.02 -0.25 -4.92 120.64 115.87 3iwk n GLU 355 Ca 0.21 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3iwk n GLU 355 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.24 0.93 3.91 0.62 0.00 0.44 -5.07 105.19 107.26 3iwk n GLY 356 Ca 0.16 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 3.25 -0.27 4.61 0.00 -0.25 -4.97 121.76 122.12 3iwk s ALA 357 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 3iwk s ALA 357 Cb 0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 3iwk s ALA 357 CO 0.00 -0.74 0.18 0.99 0.00 0.00 0.00 175.76 176.20 3iwk s THR 358 N -3.00 5.28 -0.77 0.00 2.01 0.02 -4.41 115.64 114.77 3iwk s THR 358 Ca 0.53 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.44 3iwk s THR 358 Cb -0.11 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 68.94 3iwk s THR 358 CO 0.47 0.26 1.23 -0.63 -0.69 0.00 0.00 174.62 175.26 3iwk s ILE 359 N 1.69 3.92 -0.06 1.82 -1.09 -1.26 -0.72 121.20 125.49 3iwk s ILE 359 Ca 0.07 -0.01 -0.26 0.00 -2.23 0.00 0.00 60.65 58.22 3iwk s ILE 359 Cb -0.16 -4.88 -0.22 0.00 -1.58 0.00 0.00 42.46 35.61 3iwk s ILE 359 CO 0.10 -1.77 1.07 0.25 -1.23 0.00 0.00 174.94 173.36 3iwk h LEU 360 N 12.53 0.09 -8.32 2.97 6.46 -1.54 -3.46 115.31 124.03 3iwk h LEU 360 Ca -0.19 -0.71 -0.20 0.00 -0.12 0.00 0.00 57.88 56.66 3iwk h LEU 360 Cb 1.05 -0.03 -0.16 0.00 -0.73 0.00 0.00 40.66 40.79 3iwk h LEU 360 CO 1.27 0.78 -0.70 0.28 -0.62 0.00 0.00 178.44 179.46 3iwk s THR 361 N -3.39 0.51 0.00 1.05 -1.32 -1.22 -5.00 115.64 106.27 3iwk s THR 361 Ca -0.17 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.62 3iwk s THR 361 Cb 0.00 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 3iwk s THR 361 CO 0.70 -0.80 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 3iwk n GLY 362 N 0.36 0.64 1.68 6.08 0.00 -1.24 -2.39 105.19 110.32 3iwk n GLY 362 Ca -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.67 3.67 -0.02 0.00 -1.25 -4.98 105.19 103.28 3iwk n GLY 363 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -0.24 2.05 0.43 1.61 1.04 -1.26 -4.98 118.95 117.60 3iwk s ARG 364 Ca 0.00 -1.54 -0.26 0.00 -1.04 0.00 0.00 55.73 52.89 3iwk s ARG 364 Cb 0.00 0.54 -0.09 0.00 -2.04 0.00 0.00 34.95 33.36 3iwk s ARG 364 CO 0.00 -0.91 1.42 0.54 -0.04 0.00 0.00 175.30 176.31 3iwk n ARG 365 N -0.53 2.31 -2.19 3.89 1.74 -1.26 -1.02 116.66 119.60 3iwk n ARG 365 Ca -0.04 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.45 3iwk n ARG 365 Cb 0.61 -2.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 3iwk n ARG 365 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3iwk s PRO 366 N -2.32 4.41 0.26 5.56 0.02 -1.26 -4.84 135.00 136.83 3iwk s PRO 366 Ca 0.59 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.71 3iwk s PRO 366 Cb -0.47 -3.09 0.43 0.00 0.02 0.00 0.00 34.50 31.40 3iwk s PRO 366 CO 0.59 -0.11 1.85 0.93 -0.33 0.00 0.00 177.00 179.94 3iwk h GLU 367 N 3.45 1.00 -0.01 5.54 4.39 -2.01 -2.60 114.58 124.35 3iwk h GLU 367 Ca -0.48 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3iwk h GLU 367 Cb 1.22 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3iwk h GLU 367 CO 0.66 0.66 0.00 -2.39 -1.16 0.00 0.00 179.01 176.78 3iwk n HIS 368 N -4.59 0.01 -3.73 4.33 1.44 -1.26 -4.62 115.22 106.80 3iwk n HIS 368 Ca 0.16 -0.01 -0.29 0.00 -2.01 0.00 0.00 57.72 55.57 3iwk n HIS 368 Cb 0.24 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.20 3iwk n HIS 368 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3iwk s LEU 369 N -1.43 1.85 -0.07 2.39 1.43 -0.98 -5.02 118.68 116.85 3iwk s LEU 369 Ca 0.21 -1.39 -0.21 0.00 -1.03 0.00 0.00 54.13 51.72 3iwk s LEU 369 Cb 0.10 -0.77 -0.30 0.00 0.03 0.00 0.00 46.19 45.25 3iwk s LEU 369 CO 0.16 -0.38 0.79 0.11 0.23 0.00 0.00 176.35 177.26 3iwk h LYS 370 N 8.15 0.27 -6.20 1.70 6.56 -1.82 -3.42 116.57 121.81 3iwk h LYS 370 Ca -0.15 -0.47 -0.54 0.00 -1.06 0.00 0.00 60.65 58.44 3iwk h LYS 370 Cb 1.04 0.17 -0.06 0.00 -0.57 0.00 0.00 32.23 32.82 3iwk h LYS 370 CO 0.43 1.22 -0.55 0.15 -2.06 0.00 0.00 179.45 178.65 3iwk s LYS 371 N -2.43 2.88 0.00 3.15 1.02 -1.26 -5.05 119.74 118.05 3iwk s LYS 371 Ca -0.16 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 54.84 3iwk s LYS 371 Cb 0.02 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3iwk s LYS 371 CO 0.81 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 176.08 3iwk n GLY 372 N -0.78 1.22 2.47 -3.33 0.00 -1.24 -4.74 105.19 98.79 3iwk n GLY 372 Ca -0.08 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 1.29 2.84 -3.63 1.61 0.53 -0.42 -4.91 117.16 114.46 3iwk n TYR 373 Ca 0.00 -3.05 -0.36 0.00 -1.02 0.00 0.00 57.90 53.46 3iwk n TYR 373 Cb 0.00 -2.52 -0.07 0.00 -1.03 0.00 0.00 39.34 35.72 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 2.54 3.50 -0.01 -0.72 0.40 -1.26 0.34 117.98 122.77 3iwk s PHE 374 Ca 0.61 0.57 0.05 0.00 -0.60 0.00 0.00 56.93 57.56 3iwk s PHE 374 Cb 0.16 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3iwk s PHE 374 CO -0.07 0.37 -0.16 0.08 0.70 0.00 0.00 175.22 176.14 3iwk s VAL 375 N 0.05 1.24 0.48 -0.44 1.01 -1.26 -4.26 120.40 117.21 3iwk s VAL 375 Ca 0.15 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3iwk s VAL 375 Cb -0.13 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3iwk s VAL 375 CO 0.04 0.35 1.15 -1.61 0.00 0.00 0.00 175.10 175.03 3iwk s GLU 376 N -0.37 3.64 0.17 2.72 2.02 -0.18 -4.91 118.70 121.79 3iwk s GLU 376 Ca 0.06 1.73 -0.32 0.00 0.02 0.00 0.00 54.97 56.46 3iwk s GLU 376 Cb -0.06 -2.29 -0.11 0.00 0.10 0.00 0.00 34.13 31.77 3iwk s GLU 376 CO -0.01 -0.64 1.70 -1.25 0.02 0.00 0.00 175.26 175.09 3iwk s PRO 377 N -2.87 4.16 -0.12 0.39 0.04 -1.26 -3.93 135.00 131.40 3iwk s PRO 377 Ca 0.66 2.52 0.01 0.00 0.04 0.00 0.00 61.00 64.23 3iwk s PRO 377 Cb -0.27 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 3iwk s PRO 377 CO 0.32 -0.73 -0.16 0.99 0.04 0.00 0.00 177.00 177.46 3iwk s THR 378 N 1.65 2.80 -0.16 1.26 2.01 0.14 -3.67 115.64 119.67 3iwk s THR 378 Ca 0.75 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 3iwk s THR 378 Cb -0.46 -2.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 3iwk s THR 378 CO 0.33 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.05 3iwk s ILE 379 N 0.38 3.05 -0.20 1.82 1.01 -1.00 0.26 121.20 126.51 3iwk s ILE 379 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3iwk s ILE 379 Cb -0.16 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.01 3iwk s ILE 379 CO 0.06 0.50 -0.15 -0.63 0.00 0.00 0.00 174.94 174.72 3iwk s ILE 380 N 0.73 2.38 0.50 2.92 1.01 0.31 -1.21 121.20 127.85 3iwk s ILE 380 Ca -0.05 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3iwk s ILE 380 Cb -0.15 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.28 3iwk s ILE 380 CO 0.02 0.44 0.24 1.07 0.00 0.00 0.00 174.94 176.71 3iwk n THR 381 N 4.64 0.00 -3.93 2.92 5.66 0.10 -1.01 114.28 122.66 3iwk n THR 381 Ca -0.20 -2.14 -0.27 0.00 -3.05 0.00 0.00 64.05 58.40 3iwk n THR 381 Cb 0.49 0.14 -0.00 0.00 -1.55 0.00 0.00 70.33 69.41 3iwk n THR 381 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3iwk n ASP 382 N -1.63 -1.55 -4.85 1.09 9.92 -1.26 -0.80 116.55 117.47 3iwk n ASP 382 Ca -0.09 -0.93 -0.35 0.00 -0.53 0.00 0.00 54.79 52.89 3iwk n ASP 382 Cb 0.60 -3.36 -0.06 0.00 -0.64 0.00 0.00 41.12 37.66 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3iwk s VAL 383 N -3.71 4.86 -0.00 2.53 1.01 -1.25 -4.44 120.40 119.39 3iwk s VAL 383 Ca 0.20 0.78 0.08 0.00 0.00 0.00 0.00 61.98 63.05 3iwk s VAL 383 Cb -0.11 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3iwk s VAL 383 CO 0.87 0.18 -0.26 -0.89 0.00 0.00 0.00 175.10 175.00 3iwk s THR 384 N -1.54 2.10 0.57 3.92 2.01 -1.26 -4.87 115.64 116.57 3iwk s THR 384 Ca 0.40 -1.17 0.30 0.00 0.31 0.00 0.00 61.69 61.53 3iwk s THR 384 Cb -0.14 -1.75 0.43 0.00 0.01 0.00 0.00 72.50 71.05 3iwk s THR 384 CO 0.19 0.53 1.85 0.74 -0.69 0.00 0.00 174.62 177.24 3iwk h THR 385 N 4.42 0.41 -0.00 -0.82 2.02 -1.99 0.02 112.91 116.96 3iwk h THR 385 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3iwk h THR 385 Cb 1.13 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3iwk h THR 385 CO 0.46 0.00 -0.26 -1.54 0.37 0.00 0.00 175.52 174.56 3iwk n SER 386 N -3.89 0.45 -4.79 4.18 3.41 -1.26 -4.74 113.62 106.98 3iwk n SER 386 Ca 0.14 -0.25 -0.33 0.00 -0.26 0.00 0.00 58.87 58.16 3iwk n SER 386 Cb 0.85 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 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 -2.80 3.33 0.27 4.33 1.00 -0.01 -4.98 119.30 120.44 3iwk s MET 387 Ca 0.18 1.33 -0.03 0.00 0.00 0.00 0.00 55.69 57.17 3iwk s MET 387 Cb 0.19 -2.03 0.35 0.00 0.00 0.00 0.00 34.83 33.34 3iwk s MET 387 CO 0.58 -0.82 1.87 0.37 0.00 0.00 0.00 175.02 177.03 3iwk h GLN 388 N 0.71 1.04 0.00 2.03 4.15 -1.91 -2.83 115.11 118.30 3iwk h GLN 388 Ca -0.48 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 58.80 3iwk h GLN 388 Cb 1.23 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.73 3iwk h GLN 388 CO 0.57 0.80 0.00 -0.84 -1.93 0.00 0.00 178.83 177.43 3iwk h ILE 389 N 1.04 0.00 0.06 2.39 -0.00 -1.89 0.53 117.51 119.65 3iwk h ILE 389 Ca 0.26 -0.45 -0.24 0.00 -0.00 0.00 0.00 64.86 64.43 3iwk h ILE 389 Cb 0.09 1.37 -0.00 0.00 -0.00 0.00 0.00 36.82 38.28 3iwk h ILE 389 CO -0.03 0.00 -1.07 -0.25 -0.00 0.00 0.00 178.15 176.79 3iwk h TRP 390 N 0.00 0.44 0.00 0.16 2.91 -1.77 -3.40 115.95 114.28 3iwk h TRP 390 Ca 0.00 -0.28 -0.23 0.00 1.13 0.00 0.00 58.89 59.51 3iwk h TRP 390 Cb 0.49 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 29.07 3iwk h TRP 390 CO 0.00 1.16 -1.36 -2.13 -1.03 0.00 0.00 178.44 175.09 3iwk n ARG 391 N -3.60 0.55 -3.54 2.65 0.63 -1.02 -4.99 116.66 107.35 3iwk n ARG 391 Ca -0.06 0.50 -0.35 0.00 -0.92 0.00 0.00 57.85 57.02 3iwk n ARG 391 Cb 0.93 -1.68 -0.05 0.00 0.45 0.00 0.00 32.46 32.10 3iwk n ARG 391 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3iwk s GLU 392 N -2.39 3.80 -0.12 -0.14 2.02 0.15 -4.91 118.70 117.11 3iwk s GLU 392 Ca -0.28 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.64 3iwk s GLU 392 Cb 0.07 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 3iwk s GLU 392 CO 0.51 0.55 1.37 -2.00 0.02 0.00 0.00 175.26 175.70 3iwk s GLU 393 N -1.92 4.23 -0.09 1.61 2.12 -1.26 -4.76 118.70 118.64 3iwk s GLU 393 Ca 0.34 1.82 -0.25 0.00 0.36 0.00 0.00 54.97 57.24 3iwk s GLU 393 Cb -0.14 -3.79 -0.29 0.00 0.26 0.00 0.00 34.13 30.17 3iwk s GLU 393 CO 0.18 -0.71 0.83 0.28 -0.54 0.00 0.00 175.26 175.30 3iwk h VAL 394 N 5.43 1.61 -5.51 3.70 2.07 -1.93 -3.48 116.25 118.14 3iwk h VAL 394 Ca -0.31 -2.46 -0.36 0.00 0.82 0.00 0.00 66.70 64.39 3iwk h VAL 394 Cb 1.13 3.26 0.14 0.00 -1.52 0.00 0.00 31.29 34.30 3iwk h VAL 394 CO 0.95 0.67 -0.65 0.33 0.02 0.00 0.00 177.57 178.89 3iwk n PHE 395 N -4.31 -2.59 -3.95 1.57 7.35 -1.26 -4.68 117.46 109.58 3iwk n PHE 395 Ca -0.13 0.94 -0.09 0.00 -0.76 0.00 0.00 57.45 57.41 3iwk n PHE 395 Cb 0.69 -4.80 -0.06 0.00 0.35 0.00 0.00 39.48 35.66 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 -3.48 0.45 -0.95 7.13 0.00 -1.24 -4.48 107.32 104.75 3iwk s GLY 396 Ca 0.45 -0.80 -0.17 0.00 0.00 0.00 0.00 44.72 44.19 3iwk s GLY 396 CO 0.68 -0.67 2.05 -1.55 0.00 0.00 0.00 173.10 173.61 3iwk n PRO 397 N -0.31 1.93 -4.07 2.90 -0.04 -1.17 -4.54 135.00 129.69 3iwk n PRO 397 Ca -0.05 -1.93 -0.27 0.00 -0.04 0.00 0.00 63.50 61.22 3iwk n PRO 397 Cb 0.63 -2.90 -0.17 0.00 -0.04 0.00 0.00 33.50 31.01 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 4.30 1.10 -0.13 0.52 1.01 -1.26 0.27 120.40 126.20 3iwk s VAL 398 Ca 0.53 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3iwk s VAL 398 Cb 0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 3iwk s VAL 398 CO 0.05 0.37 -0.15 -0.22 0.00 0.00 0.00 175.10 175.15 3iwk s LEU 399 N 1.45 2.57 -0.15 3.92 2.96 0.14 -4.86 118.68 124.71 3iwk s LEU 399 Ca 0.00 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 3iwk s LEU 399 Cb -0.13 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3iwk s LEU 399 CO -0.06 0.15 0.05 0.00 -1.32 0.00 0.00 176.35 175.17 3iwk s ALA 400 N 0.44 3.41 -0.10 5.97 0.00 -0.63 0.11 121.76 130.96 3iwk s ALA 400 Ca -0.11 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3iwk s ALA 400 Cb -0.16 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.19 3iwk s ALA 400 CO 0.05 0.36 -0.20 0.08 0.00 0.00 0.00 175.76 176.04 3iwk s VAL 401 N -0.17 1.82 0.16 0.00 1.01 -0.18 0.18 120.40 123.23 3iwk s VAL 401 Ca 0.07 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3iwk s VAL 401 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3iwk s VAL 401 CO 0.01 0.51 -0.13 -0.54 0.00 0.00 0.00 175.10 174.95 3iwk s LYS 402 N 0.55 1.16 0.28 2.72 1.02 0.74 -3.81 119.74 122.39 3iwk s LYS 402 Ca -0.15 -1.44 0.09 0.00 0.02 0.00 0.00 55.97 54.48 3iwk s LYS 402 Cb -0.17 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 3iwk s LYS 402 CO 0.05 0.15 0.08 -0.08 -0.92 0.00 0.00 175.35 174.63 3iwk s THR 403 N -2.83 3.59 0.14 2.17 -1.32 -1.26 -1.61 115.64 114.53 3iwk s THR 403 Ca 0.17 -1.74 -0.14 0.00 -1.21 0.00 0.00 61.69 58.76 3iwk s THR 403 Cb -0.01 -3.00 0.02 0.00 -1.51 0.00 0.00 72.50 68.00 3iwk s THR 403 CO 0.04 -0.33 0.37 0.72 -2.21 0.00 0.00 174.62 173.21 3iwk s PHE 404 N -2.30 -0.03 -0.01 9.09 -0.12 -0.17 -4.83 117.98 119.60 3iwk s PHE 404 Ca 0.33 -0.32 -0.00 0.00 -0.05 0.00 0.00 56.93 56.89 3iwk s PHE 404 Cb -0.06 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 3iwk s PHE 404 CO 0.22 -0.72 -0.01 -1.13 -0.05 0.00 0.00 175.22 173.52 3iwk n SER 405 N -0.22 2.14 -4.89 1.98 3.41 -1.26 0.03 113.62 114.81 3iwk n SER 405 Ca -0.13 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.25 3iwk n SER 405 Cb 0.63 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.02 4.90 0.16 6.66 -4.23 -1.26 -4.94 115.64 114.91 3iwk s THR 406 Ca -0.02 -1.06 -0.16 0.00 -1.18 0.00 0.00 61.69 59.28 3iwk s THR 406 Cb 0.00 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.27 3iwk s THR 406 CO 0.02 -0.24 1.81 -0.08 -0.54 0.00 0.00 174.62 175.59 3iwk h GLU 407 N 1.69 0.53 -0.96 3.99 4.81 -1.99 -1.68 114.58 120.97 3iwk h GLU 407 Ca -0.49 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 58.84 3iwk h GLU 407 Cb 1.22 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 3iwk h GLU 407 CO 0.63 0.35 0.61 1.49 -0.73 0.00 0.00 179.01 181.36 3iwk h GLU 408 N 0.54 0.84 -0.17 1.92 4.81 -1.99 -1.29 114.58 119.24 3iwk h GLU 408 Ca 0.16 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.16 3iwk h GLU 408 Cb -0.04 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.16 3iwk h GLU 408 CO -0.05 0.55 -0.58 1.49 -0.73 0.00 0.00 179.01 179.69 3iwk h GLU 409 N 0.86 0.69 -0.48 1.92 4.81 -1.85 -2.06 114.58 118.47 3iwk h GLU 409 Ca 0.49 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3iwk h GLU 409 Cb 0.61 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3iwk h GLU 409 CO -0.25 1.14 0.24 0.00 -0.73 0.00 0.00 179.01 179.41 3iwk h ALA 410 N 0.55 0.62 -0.38 2.92 0.00 -0.84 -1.70 119.26 120.43 3iwk h ALA 410 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 410 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3iwk h ALA 410 CO 0.12 0.17 0.21 0.82 0.00 0.00 0.00 179.25 180.57 3iwk h ILE 411 N 0.63 1.14 -0.62 0.00 2.04 -1.25 0.06 117.51 119.52 3iwk h ILE 411 Ca 0.17 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3iwk h ILE 411 Cb 0.10 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3iwk h ILE 411 CO -0.02 0.15 0.13 0.78 0.00 0.00 0.00 178.15 179.18 3iwk h ASN 412 N 0.49 0.93 -0.49 1.72 2.35 -1.27 -1.00 115.58 118.31 3iwk h ASN 412 Ca 0.14 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3iwk h ASN 412 Cb 0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3iwk h ASN 412 CO -0.02 0.91 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.43 3iwk h LEU 413 N 0.93 1.00 -0.78 1.61 3.38 -1.15 -2.24 115.31 118.07 3iwk h LEU 413 Ca 0.20 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3iwk h LEU 413 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3iwk h LEU 413 CO 0.00 1.15 0.50 0.00 0.09 0.00 0.00 178.44 180.19 3iwk h ALA 414 N 0.88 0.99 -0.18 1.53 0.00 -0.62 -2.59 119.26 119.27 3iwk h ALA 414 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 414 Cb 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3iwk h ALA 414 CO 0.06 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.82 3iwk n ASN 415 N -4.52 1.53 -3.55 0.00 3.02 -0.41 -4.63 115.26 106.70 3iwk n ASN 415 Ca 0.08 -1.73 -0.41 0.00 -0.03 0.00 0.00 54.58 52.48 3iwk n ASN 415 Cb 0.03 -0.12 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.25 6.35 -3.53 6.41 2.03 -0.85 -4.79 116.55 122.42 3iwk n ASP 416 Ca 0.15 -2.78 -0.14 0.00 0.52 0.00 0.00 54.79 52.53 3iwk n ASP 416 Cb 0.30 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.07 3iwk n ASP 416 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3iwk s THR 417 N 2.14 0.00 -0.83 5.18 -1.32 -1.26 -4.99 115.64 114.56 3iwk s THR 417 Ca 0.56 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.30 3iwk s THR 417 Cb 0.16 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.26 3iwk s THR 417 CO -0.07 0.00 1.54 1.41 -2.21 0.00 0.00 174.62 175.29 3iwk n HIS 418 N 0.67 0.35 -1.82 9.09 8.25 -1.26 -4.88 115.22 125.62 3iwk n HIS 418 Ca -0.15 0.10 -0.29 0.00 -0.26 0.00 0.00 57.72 57.12 3iwk n HIS 418 Cb 0.58 -0.56 0.11 0.00 1.12 0.00 0.00 29.99 31.25 3iwk n HIS 418 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iwk s TYR 419 N -3.08 2.68 -0.36 4.41 4.12 -1.26 -0.53 117.35 123.33 3iwk s TYR 419 Ca 0.10 0.72 0.05 0.00 0.02 0.00 0.00 57.07 57.96 3iwk s TYR 419 Cb 0.15 -3.55 0.23 0.00 -1.52 0.00 0.00 41.96 37.28 3iwk s TYR 419 CO 0.66 -2.02 1.21 0.41 0.02 0.00 0.00 175.55 175.82 3iwk n GLY 420 N -3.12 0.18 0.00 0.71 0.00 -1.20 -4.69 105.19 97.07 3iwk n GLY 420 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.45 1.59 -4.94 0.99 7.94 -1.26 -1.16 117.00 119.71 3iwk n LEU 421 Ca -0.14 0.00 -0.23 0.00 -1.11 0.00 0.00 56.01 54.53 3iwk n LEU 421 Cb 0.74 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.70 3iwk n LEU 421 CO -0.09 0.00 0.13 -0.83 -1.11 0.00 0.00 177.39 175.49 3iwk s GLY 422 N -0.96 2.12 -0.20 -3.96 0.00 -1.26 -1.42 107.32 101.64 3iwk s GLY 422 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 44.72 42.76 3iwk s GLY 422 CO 0.00 -1.80 1.10 -1.35 0.00 0.00 0.00 173.10 171.05 3iwk s SER 423 N -4.37 -0.29 0.00 1.64 1.04 -0.25 -4.19 113.70 107.29 3iwk s SER 423 Ca 0.46 0.34 0.02 0.00 0.48 0.00 0.00 55.95 57.25 3iwk s SER 423 Cb -0.04 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 3iwk s SER 423 CO 0.28 -0.24 -0.06 0.00 0.98 0.00 0.00 173.24 174.20 3iwk s ALA 424 N -0.94 0.50 -0.09 5.32 0.00 -0.23 0.05 121.76 126.37 3iwk s ALA 424 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3iwk s ALA 424 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3iwk s ALA 424 CO -0.02 0.10 -0.20 0.08 0.00 0.00 0.00 175.76 175.71 3iwk s VAL 425 N -0.35 1.78 -0.29 0.00 1.01 0.01 -0.48 120.40 122.08 3iwk s VAL 425 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3iwk s VAL 425 Cb -0.04 -1.56 0.07 0.00 0.00 0.00 0.00 36.38 34.85 3iwk s VAL 425 CO -0.00 0.50 -0.03 -0.04 0.00 0.00 0.00 175.10 175.53 3iwk s MET 426 N 0.46 2.16 -0.28 2.72 -1.94 0.43 0.07 119.30 122.92 3iwk s MET 426 Ca -0.17 -1.44 -0.23 0.00 -1.71 0.00 0.00 55.69 52.14 3iwk s MET 426 Cb -0.17 -3.07 0.09 0.00 2.01 0.00 0.00 34.83 33.69 3iwk s MET 426 CO 0.07 -0.68 0.80 0.45 -0.01 0.00 0.00 175.02 175.66 3iwk s SER 427 N 1.16 -0.70 0.45 3.03 0.15 -1.26 -1.64 113.70 114.89 3iwk s SER 427 Ca -0.04 1.29 0.25 0.00 0.70 0.00 0.00 55.95 58.15 3iwk s SER 427 Cb -0.20 1.30 0.92 0.00 -1.71 0.00 0.00 66.02 66.33 3iwk s SER 427 CO -0.04 -0.22 1.82 0.78 1.20 0.00 0.00 173.24 176.78 3iwk h ASN 428 N 5.28 0.00 -1.88 5.45 2.35 -1.58 -3.40 115.58 121.80 3iwk h ASN 428 Ca -0.29 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.93 3iwk h ASN 428 Cb 1.18 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.47 3iwk h ASN 428 CO 0.09 0.19 1.19 -0.62 -1.65 0.00 0.00 177.43 176.64 3iwk s ASP 429 N -6.13 6.02 0.44 5.81 -1.08 -1.26 -4.87 116.67 115.60 3iwk s ASP 429 Ca 0.01 -0.57 0.22 0.00 -0.52 0.00 0.00 52.55 51.69 3iwk s ASP 429 Cb 0.10 -2.56 1.03 0.00 -1.46 0.00 0.00 42.92 40.03 3iwk s ASP 429 CO 0.63 -1.92 1.90 -0.07 0.52 0.00 0.00 175.17 176.23 3iwk h LEU 430 N 13.89 0.00 -0.63 -1.34 3.38 -2.00 -1.81 115.31 126.80 3iwk h LEU 430 Ca -0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3iwk h LEU 430 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3iwk h LEU 430 CO 1.30 0.25 0.24 -0.33 0.09 0.00 0.00 178.44 179.98 3iwk h GLU 431 N 0.00 0.96 -0.47 1.13 5.08 -1.96 -1.49 114.58 117.83 3iwk h GLU 431 Ca -0.00 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 3iwk h GLU 431 Cb 0.61 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3iwk h GLU 431 CO 0.03 0.82 0.04 -0.09 -1.00 0.00 0.00 179.01 178.81 3iwk h ARG 432 N 0.90 0.80 -0.77 2.33 2.43 -1.82 -2.31 114.38 115.93 3iwk h ARG 432 Ca 0.21 -0.24 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3iwk h ARG 432 Cb 0.23 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 3iwk h ARG 432 CO -0.01 0.83 0.43 0.00 -1.51 0.00 0.00 179.97 179.71 3iwk h GLU 434 N 0.74 0.39 -0.35 0.00 4.81 -1.10 -1.30 114.58 117.76 3iwk h GLU 434 Ca 0.37 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 3iwk h GLU 434 Cb 0.33 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 3iwk h GLU 434 CO -0.24 0.47 -0.14 0.00 -0.73 0.00 0.00 179.01 178.37 3iwk h ARG 435 N 0.23 -0.07 -0.40 1.92 3.08 -1.01 -2.15 114.38 115.98 3iwk h ARG 435 Ca 0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3iwk h ARG 435 Cb 0.25 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 3iwk h ARG 435 CO -0.00 -0.05 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.65 3iwk h LEU 436 N -0.07 0.71 -2.02 3.04 4.07 -1.18 -2.23 115.31 117.62 3iwk h LEU 436 Ca 0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 3iwk h LEU 436 Cb 0.34 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3iwk h LEU 436 CO -0.40 0.86 -0.07 0.77 -1.08 0.00 0.00 178.44 178.52 3iwk h SER 437 N 0.65 0.00 0.75 -0.43 4.64 -0.78 0.91 113.55 119.29 3iwk h SER 437 Ca 0.11 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.21 3iwk h SER 437 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3iwk h SER 437 CO 0.04 0.07 -1.01 0.11 -0.87 0.00 0.00 176.83 175.16 3iwk h LYS 438 N 0.00 0.14 0.00 4.77 1.57 -0.83 -3.36 116.57 118.86 3iwk h LYS 438 Ca -0.00 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 3iwk h LYS 438 Cb 0.13 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3iwk h LYS 438 CO 0.01 1.03 -1.13 0.00 -0.57 0.00 0.00 179.45 178.79 3iwk h ALA 439 N 0.89 0.65 -2.47 3.86 0.00 -0.71 -3.46 119.26 118.02 3iwk h ALA 439 Ca -0.05 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.60 3iwk h ALA 439 Cb 1.71 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.67 3iwk h ALA 439 CO 0.15 0.82 0.72 -0.51 0.00 0.00 0.00 179.25 180.43 3iwk s LEU 440 N -5.99 4.35 -1.18 0.00 1.43 0.19 -4.95 118.68 112.53 3iwk s LEU 440 Ca -0.01 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.15 3iwk s LEU 440 Cb 0.08 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.93 3iwk s LEU 440 CO 0.79 -0.63 1.34 0.00 0.23 0.00 0.00 176.35 178.08 3iwk n GLN 441 N 4.42 3.43 -3.77 1.70 6.02 -1.26 -4.93 117.38 122.98 3iwk n GLN 441 Ca 0.11 -4.04 -0.11 0.00 -0.01 0.00 0.00 57.00 52.96 3iwk n GLN 441 Cb 0.44 -2.88 -0.07 0.00 1.02 0.00 0.00 30.24 28.74 3iwk n GLN 441 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iwk s ALA 442 N 0.64 -0.57 0.10 -1.58 0.00 -1.26 -4.55 121.76 114.55 3iwk s ALA 442 Ca 0.39 -0.19 0.25 0.00 0.00 0.00 0.00 51.96 52.41 3iwk s ALA 442 Cb -0.05 0.40 0.92 0.00 0.00 0.00 0.00 23.12 24.39 3iwk s ALA 442 CO -0.02 -0.46 1.82 0.78 0.00 0.00 0.00 175.76 177.88 3iwk h GLY 443 N 3.02 0.00 -6.28 0.00 0.00 -0.79 -3.44 103.07 95.58 3iwk h GLY 443 Ca -0.33 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.56 3iwk h GLY 443 CO 0.49 0.00 -0.78 -0.42 0.00 0.00 0.00 176.54 175.83 3iwk s ILE 444 N -3.61 0.67 -0.19 2.60 1.01 -0.64 -4.74 121.20 116.30 3iwk s ILE 444 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 3iwk s ILE 444 Cb 0.10 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.89 3iwk s ILE 444 CO 0.63 0.27 -0.16 -0.69 0.00 0.00 0.00 174.94 174.99 3iwk s VAL 445 N 1.06 2.40 -0.06 2.92 1.01 -1.26 -1.08 120.40 125.39 3iwk s VAL 445 Ca -0.08 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 3iwk s VAL 445 Cb -0.14 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3iwk s VAL 445 CO -0.01 0.51 0.34 0.26 0.00 0.00 0.00 175.10 176.20 3iwk s TRP 446 N 1.34 3.64 -0.20 5.22 0.51 0.11 -4.99 118.94 124.57 3iwk s TRP 446 Ca 0.05 0.82 -0.02 0.00 -2.12 0.00 0.00 56.10 54.84 3iwk s TRP 446 Cb -0.13 -2.25 -0.00 0.00 -0.81 0.00 0.00 33.47 30.27 3iwk s TRP 446 CO -0.10 0.55 -0.10 0.42 -0.51 0.00 0.00 176.95 177.21 3iwk s ILE 447 N -0.65 2.96 -1.70 2.03 1.01 -1.26 -0.81 121.20 122.79 3iwk s ILE 447 Ca 0.21 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 3iwk s ILE 447 Cb -0.15 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3iwk s ILE 447 CO 0.10 0.47 0.24 0.59 0.00 0.00 0.00 174.94 176.33 3iwk n ASN 448 N 4.60 -6.00 -2.00 3.58 3.02 0.11 -4.92 115.26 113.65 3iwk n ASN 448 Ca -0.19 -0.12 -0.01 0.00 -0.03 0.00 0.00 54.58 54.22 3iwk n ASN 448 Cb 0.51 -4.93 0.01 0.00 -0.61 0.00 0.00 39.78 34.75 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 -1.46 -1.93 0.00 0.00 0.00 -1.26 -4.64 121.76 112.47 3iwk s ALA 450 Ca 0.10 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.30 3iwk s ALA 450 Cb -0.01 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.69 3iwk s ALA 450 CO 0.03 -0.35 0.00 1.04 0.00 0.00 0.00 175.76 176.47 3iwk n GLN 451 N 3.62 0.00 -1.67 0.00 1.13 -1.26 -4.55 117.38 114.65 3iwk n GLN 451 Ca -0.18 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.44 3iwk n GLN 451 Cb 0.57 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.90 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3iwk n PRO 452 N -1.31 2.05 -3.22 -1.09 -0.02 -1.26 -4.93 135.00 125.22 3iwk n PRO 452 Ca 0.00 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 61.97 3iwk n PRO 452 Cb 0.00 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.03 3iwk n PRO 452 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iwk n SER 453 N 2.14 2.16 -4.76 2.55 2.88 -1.26 -5.10 113.62 112.23 3iwk n SER 453 Ca 0.11 -3.16 -0.41 0.00 -1.33 0.00 0.00 58.87 54.09 3iwk n SER 453 Cb 0.32 -0.63 -0.02 0.00 -0.75 0.00 0.00 64.21 63.13 3iwk n SER 453 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3iwk s PHE 454 N -2.22 2.95 -0.59 0.66 0.40 -1.26 -4.93 117.98 112.99 3iwk s PHE 454 Ca 0.40 1.20 0.23 0.00 -0.60 0.00 0.00 56.93 58.16 3iwk s PHE 454 Cb 0.22 -3.81 0.92 0.00 0.51 0.00 0.00 43.02 40.86 3iwk s PHE 454 CO -0.08 -2.42 1.69 0.44 0.70 0.00 0.00 175.22 175.55 3iwk n ILE 455 N 1.40 0.80 0.34 0.64 -0.00 -1.26 -2.39 119.36 118.89 3iwk n ILE 455 Ca 0.03 0.17 0.13 0.00 -0.00 0.00 0.00 62.75 63.08 3iwk n ILE 455 Cb 0.41 -1.06 0.29 0.00 -0.00 0.00 0.00 39.64 39.27 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 -5.98 6.28 7.50 -1.93 0.65 115.11 121.62 3iwk h GLN 456 Ca 0.00 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.48 3iwk h GLN 456 Cb 0.40 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.80 3iwk h GLN 456 CO 0.00 0.00 -0.60 0.00 -1.50 0.00 0.00 178.83 176.73 3iwk s ALA 457 N -3.22 3.41 0.24 3.87 0.00 -1.01 -4.12 121.76 120.93 3iwk s ALA 457 Ca 0.07 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 3iwk s ALA 457 Cb 0.07 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 3iwk s ALA 457 CO 0.63 0.63 1.35 -1.25 0.00 0.00 0.00 175.76 177.11 3iwk s PRO 458 N -1.22 4.35 -0.09 0.00 0.04 -1.26 -3.90 135.00 132.92 3iwk s PRO 458 Ca 0.17 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.39 3iwk s PRO 458 Cb -0.12 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.29 3iwk s PRO 458 CO 0.07 -0.28 -0.16 -0.46 0.04 0.00 0.00 177.00 176.20 3iwk s TRP 459 N -0.18 1.87 0.00 0.56 -0.11 0.13 -4.95 118.94 116.26 3iwk s TRP 459 Ca 0.56 -0.77 0.00 0.00 1.22 0.00 0.00 56.10 57.11 3iwk s TRP 459 Cb -0.39 -1.33 0.00 0.00 -1.50 0.00 0.00 33.47 30.26 3iwk s TRP 459 CO 0.42 -0.37 0.00 0.41 -4.62 0.00 0.00 176.95 172.80 3iwk n GLY 460 N 3.86 1.35 3.71 5.86 0.00 -1.26 -0.17 105.19 118.53 3iwk n GLY 460 Ca -0.21 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 3iwk n GLY 460 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 461 N 0.00 2.04 0.49 -0.02 0.00 -1.26 -3.80 107.32 104.77 3iwk s GLY 461 Ca 0.00 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 42.85 3iwk s GLY 461 CO 0.00 -1.82 0.18 -0.26 0.00 0.00 0.00 173.10 171.20 3iwk s ILE 462 N -2.48 1.63 0.00 0.90 -4.36 -0.31 -3.75 121.20 112.83 3iwk s ILE 462 Ca 0.37 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 3iwk s ILE 462 Cb -0.01 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.31 3iwk s ILE 462 CO 0.22 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.69 3iwk n LYS 463 N -1.41 0.00 0.00 0.37 5.02 -1.26 -2.27 118.16 118.61 3iwk n LYS 463 Ca -0.08 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.32 3iwk n LYS 463 Cb 0.65 0.00 0.65 0.00 -0.02 0.00 0.00 35.03 36.32 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 0.62 0.00 1.97 1.74 0.31 -1.77 116.66 133.54 3iwk n ARG 464 Ca 0.00 0.02 0.13 0.00 -0.77 0.00 0.00 57.85 57.23 3iwk n ARG 464 Cb 0.00 -1.50 0.59 0.00 -1.02 0.00 0.00 32.46 30.53 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3iwk n SER 465 N -1.07 0.00 0.00 0.55 7.64 -0.96 -4.77 113.62 115.00 3iwk n SER 465 Ca 0.16 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.52 3iwk n SER 465 Cb 0.10 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 3iwk n SER 465 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iwk n GLY 466 N 1.31 0.21 3.64 0.23 0.00 -0.73 -1.44 105.19 108.41 3iwk n GLY 466 Ca 0.07 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.15 0.00 1.61 -0.71 -0.76 -3.90 117.98 114.07 3iwk s PHE 467 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 3iwk s PHE 467 Cb 0.00 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.38 3iwk s PHE 467 CO 0.00 -0.52 0.00 0.41 -1.34 0.00 0.00 175.22 173.77 3iwk n GLY 468 N -0.37 -0.09 3.08 1.99 0.00 -1.26 -1.48 105.19 107.06 3iwk n GLY 468 Ca -0.06 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 3iwk n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwk s ARG 469 N -3.35 1.35 0.42 1.61 1.81 -1.26 -4.30 118.95 115.23 3iwk s ARG 469 Ca 0.00 -0.47 0.07 0.00 -1.72 0.00 0.00 55.73 53.61 3iwk s ARG 469 Cb 0.00 -1.22 -0.04 0.00 -0.45 0.00 0.00 34.95 33.24 3iwk s ARG 469 CO 0.00 0.20 0.24 -1.21 -0.68 0.00 0.00 175.30 173.86 3iwk s GLU 470 N 0.03 2.31 0.36 3.54 2.02 0.76 -3.74 118.70 123.98 3iwk s GLU 470 Ca -0.02 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.20 3iwk s GLU 470 Cb -0.09 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.05 3iwk s GLU 470 CO 0.01 -0.16 0.00 1.28 0.02 0.00 0.00 175.26 176.41 3iwk n LEU 471 N -1.34 -0.61 0.00 1.80 4.77 -1.26 0.17 117.00 120.52 3iwk n LEU 471 Ca 0.00 1.42 0.00 0.00 -0.03 0.00 0.00 56.01 57.40 3iwk n LEU 471 Cb 0.64 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 39.48 3iwk n LEU 471 CO 0.45 -1.52 0.00 0.61 -1.33 0.00 0.00 177.39 175.60 3iwk n GLY 472 N -3.52 0.83 0.16 -0.72 0.00 0.23 -1.10 105.19 101.07 3iwk n GLY 472 Ca -0.05 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.67 1.61 5.08 -1.87 -3.13 114.58 115.61 3iwk h GLU 473 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3iwk h GLU 473 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3iwk h GLU 473 CO 0.00 0.00 0.13 -1.49 -1.00 0.00 0.00 179.01 176.65 3iwk h TRP 474 N 0.00 1.15 -0.76 4.33 4.06 -1.86 -1.66 115.95 121.21 3iwk h TRP 474 Ca 0.00 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.80 3iwk h TRP 474 Cb 0.66 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 3iwk h TRP 474 CO 0.00 0.96 0.48 0.78 -3.56 0.00 0.00 178.44 177.10 3iwk h GLY 475 N 1.01 1.08 0.79 1.49 0.00 -1.05 -2.17 103.07 104.23 3iwk h GLY 475 Ca 0.20 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3iwk h GLY 475 CO 0.01 0.41 0.01 -2.00 0.00 0.00 0.00 176.54 174.97 3iwk h LEU 476 N 1.04 0.05 -2.14 3.11 6.46 -1.59 -3.13 115.31 119.12 3iwk h LEU 476 Ca 0.28 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 3iwk h LEU 476 Cb -0.08 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 3iwk h LEU 476 CO -0.06 0.26 0.09 -0.33 -0.62 0.00 0.00 178.44 177.78 3iwk h GLU 477 N -0.16 0.00 0.00 1.25 4.39 -1.03 -2.32 114.58 116.71 3iwk h GLU 477 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3iwk h GLU 477 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3iwk h GLU 477 CO -0.00 0.00 0.03 -0.97 -1.16 0.00 0.00 179.01 176.91 3iwk h ASN 478 N 0.00 0.00 -0.01 1.42 -1.24 -1.33 -1.71 115.58 112.71 3iwk h ASN 478 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3iwk h ASN 478 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3iwk h ASN 478 CO -0.00 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.92 3iwk n TYR 479 N -3.00 0.01 -4.31 0.67 4.02 -0.88 -5.00 117.16 108.67 3iwk n TYR 479 Ca -0.03 -0.37 -0.33 0.00 -0.01 0.00 0.00 57.90 57.16 3iwk n TYR 479 Cb 0.10 -0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.29 3iwk n TYR 479 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iwk s LEU 480 N -0.75 3.53 -0.04 7.72 1.43 -0.64 -0.37 118.68 129.55 3iwk s LEU 480 Ca 0.01 0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3iwk s LEU 480 Cb 0.00 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3iwk s LEU 480 CO 0.01 0.30 -0.19 -0.94 0.23 0.00 0.00 176.35 175.75 3iwk s SER 481 N -1.41 3.60 0.09 2.29 1.04 0.10 -4.82 113.70 114.58 3iwk s SER 481 Ca 0.18 -0.32 -0.29 0.00 0.48 0.00 0.00 55.95 56.00 3iwk s SER 481 Cb -0.11 -0.66 -0.06 0.00 0.10 0.00 0.00 66.02 65.29 3iwk s SER 481 CO 0.09 0.33 0.92 -0.69 0.98 0.00 0.00 173.24 174.86 3iwk s VAL 482 N -0.63 4.57 -0.15 5.02 1.01 -1.26 -2.10 120.40 126.85 3iwk s VAL 482 Ca 0.10 1.98 0.02 0.00 0.00 0.00 0.00 61.98 64.07 3iwk s VAL 482 Cb -0.11 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.00 3iwk s VAL 482 CO 0.00 0.32 -0.20 -0.75 0.00 0.00 0.00 175.10 174.47 3iwk s LYS 483 N 0.05 3.05 -0.10 2.72 2.20 -0.05 -4.98 119.74 122.62 3iwk s LYS 483 Ca 0.45 -0.83 -0.22 0.00 -0.36 0.00 0.00 55.97 55.02 3iwk s LYS 483 Cb -0.23 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 3iwk s LYS 483 CO 0.28 -0.06 0.64 -1.14 -0.36 0.00 0.00 175.35 174.71 3iwk s GLN 484 N 0.94 4.37 -0.23 4.03 0.74 -1.26 -0.31 119.66 127.95 3iwk s GLN 484 Ca -0.04 0.74 0.02 0.00 0.05 0.00 0.00 55.36 56.13 3iwk s GLN 484 Cb -0.15 -3.47 0.05 0.00 1.10 0.00 0.00 33.01 30.54 3iwk s GLN 484 CO -0.04 0.02 -0.12 0.08 -0.55 0.00 0.00 175.29 174.67 3iwk s VAL 485 N 1.00 1.98 -0.05 1.34 1.01 0.21 -4.98 120.40 120.91 3iwk s VAL 485 Ca 0.33 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 61.04 3iwk s VAL 485 Cb -0.17 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3iwk s VAL 485 CO 0.15 0.12 -0.24 -0.89 0.00 0.00 0.00 175.10 174.24 3iwk s THR 486 N 1.23 2.18 -0.07 3.92 2.01 -1.26 -1.06 115.64 122.59 3iwk s THR 486 Ca -0.04 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 60.97 3iwk s THR 486 Cb -0.18 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.54 3iwk s THR 486 CO -0.07 0.57 -0.20 -0.60 -0.69 0.00 0.00 174.62 173.63 3iwk s ARG 487 N -0.26 2.34 -0.19 4.92 3.52 0.96 -4.98 118.95 125.26 3iwk s ARG 487 Ca -0.00 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.65 3iwk s ARG 487 Cb -0.13 -1.89 -0.02 0.00 -1.56 0.00 0.00 34.95 31.35 3iwk s ARG 487 CO 0.03 0.21 0.73 -0.47 -0.81 0.00 0.00 175.30 174.99 3iwk s TYR 488 N 0.23 3.38 -0.23 5.12 5.04 -1.26 -1.19 117.35 128.44 3iwk s TYR 488 Ca -0.11 1.08 -0.06 0.00 -2.44 0.00 0.00 57.07 55.54 3iwk s TYR 488 Cb -0.15 -2.92 -0.12 0.00 0.35 0.00 0.00 41.96 39.12 3iwk s TYR 488 CO 0.05 -0.23 -0.25 2.41 -1.34 0.00 0.00 175.55 176.19 3iwk n THR 489 N 4.78 1.27 -1.33 4.34 -1.04 0.85 -5.00 114.28 118.16 3iwk n THR 489 Ca 0.02 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.05 61.33 3iwk n THR 489 Cb 0.49 -1.58 0.11 0.00 -1.82 0.00 0.00 70.33 67.53 3iwk n THR 489 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3iwk s SER 490 N -6.68 4.09 0.17 8.00 1.04 -1.23 -4.99 113.70 114.12 3iwk s SER 490 Ca -0.31 1.52 0.13 0.00 0.48 0.00 0.00 55.95 57.77 3iwk s SER 490 Cb 0.10 -2.23 -0.06 0.00 0.10 0.00 0.00 66.02 63.93 3iwk s SER 490 CO 0.45 -2.25 1.22 0.44 0.98 0.00 0.00 173.24 174.09 3iwk h ASP 491 N -1.28 0.00 -2.95 7.02 3.32 -1.97 -3.48 116.42 117.09 3iwk h ASP 491 Ca -0.47 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 3iwk h ASP 491 Cb 1.26 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.94 3iwk h ASP 491 CO 0.55 0.67 0.20 1.21 -1.72 0.00 0.00 179.24 180.15 3iwk n GLU 492 N -3.17 1.45 -1.44 3.56 4.07 -1.26 -4.95 120.64 118.91 3iwk n GLU 492 Ca -0.02 0.52 -0.34 0.00 -0.06 0.00 0.00 57.16 57.25 3iwk n GLU 492 Cb 0.83 -2.03 0.09 0.00 -0.06 0.00 0.00 31.44 30.27 3iwk n GLU 492 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3iwk s PRO 493 N -1.88 2.15 0.22 5.31 0.02 -1.26 -4.92 135.00 134.64 3iwk s PRO 493 Ca 0.61 1.74 -0.07 0.00 0.02 0.00 0.00 61.00 63.30 3iwk s PRO 493 Cb -0.59 -1.84 0.32 0.00 0.02 0.00 0.00 34.50 32.41 3iwk s PRO 493 CO 0.58 -1.82 1.79 2.35 -0.33 0.00 0.00 177.00 179.58 3iwk h TRP 494 N -0.31 0.70 -0.84 6.54 -0.00 -1.99 -3.46 115.95 116.59 3iwk h TRP 494 Ca -0.47 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.39 3iwk h TRP 494 Cb 1.29 -0.21 0.01 0.00 -0.00 0.00 0.00 29.16 30.25 3iwk h TRP 494 CO 0.47 0.29 -0.07 0.41 -0.00 0.00 0.00 178.44 179.54 3iwk n GLY 495 N -1.30 0.46 0.10 2.65 0.00 -1.26 -4.98 105.19 100.86 3iwk n GLY 495 Ca 0.11 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3iwk n GLY 495 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3iwk n TRP 496 N -3.54 0.07 -3.18 1.61 -0.00 -1.26 -4.99 117.44 106.15 3iwk n TRP 496 Ca -0.02 0.03 -0.33 0.00 -0.00 0.00 0.00 57.50 57.18 3iwk n TRP 496 Cb 0.52 -0.62 -0.06 0.00 -0.00 0.00 0.00 31.31 31.14 3iwk n TRP 496 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3iwk s TYR 497 N -2.78 3.42 -0.12 5.87 2.02 -1.26 -5.03 117.35 119.46 3iwk s TYR 497 Ca -0.30 1.18 -0.29 0.00 -0.37 0.00 0.00 57.07 57.28 3iwk s TYR 497 Cb 0.06 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 3iwk s TYR 497 CO 0.43 0.16 1.54 -0.65 -1.57 0.00 0.00 175.55 175.46 3iwk s GLN 498 N -2.82 4.11 0.39 -0.62 -1.52 -1.26 -5.00 119.66 112.94 3iwk s GLN 498 Ca 0.51 1.93 -0.27 0.00 -1.95 0.00 0.00 55.36 55.59 3iwk s GLN 498 Cb -0.11 -3.94 -0.09 0.00 -0.22 0.00 0.00 33.01 28.65 3iwk s GLN 498 CO 0.18 -0.90 1.34 -1.25 -0.25 0.00 0.00 175.29 174.41 3iwk s PRO 499 N 4.02 4.06 -0.16 2.91 0.04 -1.26 -4.87 135.00 139.74 3iwk s PRO 499 Ca 0.68 2.24 -0.42 0.00 0.04 0.00 0.00 61.00 63.54 3iwk s PRO 499 Cb -0.28 -2.85 -0.20 0.00 0.04 0.00 0.00 34.50 31.21 3iwk s PRO 499 CO 0.25 -0.45 1.23 -2.30 0.04 0.00 0.00 177.00 175.78 3iwk n PRO 500 N 0.31 0.00 0.00 0.56 -0.02 -1.26 -5.28 135.00 129.31 3iwk n PRO 500 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3iwk n PRO 500 Cb 0.42 -1.48 0.78 0.00 -0.02 0.00 0.00 33.50 33.20 3iwk n PRO 500 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93