#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iaw n PRO 11 N 0.00 0.00 -0.20 5.31 -0.04 -1.26 0.11 135.00 138.93 1iaw n PRO 11 Ca 0.00 0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1iaw n PRO 11 Cb 0.00 -1.07 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1iaw n PRO 11 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1iaw h ASP 12 N 0.00 -0.48 0.52 3.54 3.32 -2.00 -0.13 116.42 121.19 1iaw h ASP 12 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1iaw h ASP 12 Cb 0.00 0.34 0.01 0.00 0.22 0.00 0.00 39.33 39.89 1iaw h ASP 12 CO 0.00 -0.18 -0.25 0.44 -1.72 0.00 0.00 179.24 177.54 1iaw h ASP 13 N 0.03 -0.59 -0.19 6.45 3.32 -1.99 -2.48 116.42 120.96 1iaw h ASP 13 Ca 0.29 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1iaw h ASP 13 Cb 0.45 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1iaw h ASP 13 CO -0.58 -0.21 0.09 0.44 -1.72 0.00 0.00 179.24 177.26 1iaw h ASP 14 N -1.06 0.29 -0.75 6.45 3.32 0.86 -0.06 116.42 125.48 1iaw h ASP 14 Ca -0.07 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1iaw h ASP 14 Cb 0.61 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1iaw h ASP 14 CO 0.12 0.28 0.36 0.25 -1.72 0.00 0.00 179.24 178.53 1iaw h LEU 15 N 0.33 0.98 -0.22 1.55 6.46 -1.03 -1.39 115.31 121.99 1iaw h LEU 15 Ca 0.08 -0.13 -0.09 0.00 -0.12 0.00 0.00 57.88 57.62 1iaw h LEU 15 Cb 0.08 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 1iaw h LEU 15 CO -0.01 0.84 -0.43 -0.33 -0.62 0.00 0.00 178.44 177.89 1iaw h GLU 16 N 1.06 0.00 -0.44 1.25 5.08 -0.84 -0.24 114.58 120.45 1iaw h GLU 16 Ca 0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1iaw h GLU 16 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1iaw h GLU 16 CO -0.03 0.43 0.01 -0.09 -1.00 0.00 0.00 179.01 178.33 1iaw h ARG 17 N 0.00 0.71 -0.03 2.33 2.43 -0.47 0.15 114.38 119.50 1iaw h ARG 17 Ca -0.00 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1iaw h ARG 17 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1iaw h ARG 17 CO 0.06 0.72 -0.19 0.28 -1.51 0.00 0.00 179.97 179.33 1iaw h VAL 18 N 0.67 1.48 -0.15 0.20 2.07 -0.99 -2.94 116.25 116.59 1iaw h VAL 18 Ca 0.14 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 66.02 1iaw h VAL 18 Cb 0.41 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 1iaw h VAL 18 CO 0.02 0.46 -0.23 -0.09 0.02 0.00 0.00 177.57 177.75 1iaw h ARG 19 N -0.40 -0.27 -0.90 1.57 2.43 -0.68 0.23 114.38 116.37 1iaw h ARG 19 Ca -0.01 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 1iaw h ARG 19 Cb 0.85 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 1iaw h ARG 19 CO 0.04 -0.18 0.58 0.00 -1.51 0.00 0.00 179.97 178.89 1iaw h ALA 20 N 0.70 1.90 -0.07 2.80 0.00 -0.76 0.17 119.26 123.99 1iaw h ALA 20 Ca 0.11 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1iaw h ALA 20 Cb 0.44 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1iaw h ALA 20 CO -0.31 -0.15 -0.74 1.15 0.00 0.00 0.00 179.25 179.20 1iaw h THR 21 N 0.64 1.33 -0.47 0.00 2.02 -1.08 -2.71 112.91 112.63 1iaw h THR 21 Ca 0.46 -2.02 -0.02 0.00 0.77 0.00 0.00 66.41 65.61 1iaw h THR 21 Cb 0.81 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 1iaw h THR 21 CO -0.21 0.62 0.24 -0.07 0.37 0.00 0.00 175.52 176.46 1iaw h LEU 22 N 0.27 0.61 -2.44 2.58 3.38 0.21 -1.31 115.31 118.62 1iaw h LEU 22 Ca -0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1iaw h LEU 22 Cb 1.39 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1iaw h LEU 22 CO 0.15 0.56 -0.02 1.88 0.09 0.00 0.00 178.44 181.10 1iaw h TYR 23 N 0.62 0.00 0.11 1.13 -1.99 -0.75 -1.18 116.97 114.91 1iaw h TYR 23 Ca 0.16 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.62 1iaw h TYR 23 Cb 0.10 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.85 1iaw h TYR 23 CO -0.01 0.02 -1.20 1.03 -0.00 0.00 0.00 178.16 178.00 1iaw h SER 24 N 0.00 0.65 0.07 3.88 0.87 -0.92 -3.06 113.55 115.04 1iaw h SER 24 Ca -0.00 -0.62 -0.10 0.00 -1.23 0.00 0.00 61.79 59.84 1iaw h SER 24 Cb 0.17 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1iaw h SER 24 CO 0.00 1.45 -0.48 -0.07 -0.53 0.00 0.00 176.83 177.20 1iaw h LEU 25 N 0.18 0.23 -6.25 2.23 3.38 -0.75 -3.41 115.31 110.92 1iaw h LEU 25 Ca -0.15 -0.95 -0.59 0.00 0.09 0.00 0.00 57.88 56.28 1iaw h LEU 25 Cb 1.89 -0.07 -0.40 0.00 0.09 0.00 0.00 40.66 42.16 1iaw h LEU 25 CO 0.21 1.22 -0.85 -0.67 0.09 0.00 0.00 178.44 178.45 1iaw n ASP 26 N -4.35 1.67 -0.33 -0.43 2.03 -0.53 -4.98 116.55 109.62 1iaw n ASP 26 Ca -0.13 -2.97 0.18 0.00 0.52 0.00 0.00 54.79 52.39 1iaw n ASP 26 Cb 0.66 -0.65 0.42 0.00 -0.72 0.00 0.00 41.12 40.83 1iaw n ASP 26 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iaw h PRO 27 N 4.46 0.53 0.00 -0.67 0.13 -1.73 -2.18 132.00 132.54 1iaw h PRO 27 Ca 0.15 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1iaw h PRO 27 Cb 0.79 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1iaw h PRO 27 CO 0.61 0.35 -1.54 -0.25 -0.23 0.00 0.00 178.00 176.94 1iaw n ASP 28 N -4.75 0.38 0.00 1.44 8.00 -1.26 -4.94 116.55 115.41 1iaw n ASP 28 Ca 0.25 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1iaw n ASP 28 Cb 0.75 1.32 0.00 0.00 -0.02 0.00 0.00 41.12 43.18 1iaw n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iaw n GLY 29 N 1.25 0.64 0.28 0.44 0.00 -0.82 -4.76 105.19 102.21 1iaw n GLY 29 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1iaw n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iaw h ASP 30 N 0.00 0.58 0.09 1.61 3.32 -1.92 0.40 116.42 120.50 1iaw h ASP 30 Ca 0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1iaw h ASP 30 Cb 0.00 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1iaw h ASP 30 CO 0.00 0.36 -0.04 0.03 -1.72 0.00 0.00 179.24 177.87 1iaw h ARG 31 N 0.72 -0.11 0.25 3.56 3.08 -1.93 0.24 114.38 120.18 1iaw h ARG 31 Ca 0.34 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.40 1iaw h ARG 31 Cb 0.26 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1iaw h ARG 31 CO -0.21 0.15 -0.47 1.15 -1.07 0.00 0.00 179.97 179.51 1iaw h THR 32 N -0.37 0.07 -0.82 2.04 2.02 -1.82 0.67 112.91 114.71 1iaw h THR 32 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.28 1iaw h THR 32 Cb 0.31 0.07 -0.08 0.00 -1.74 0.00 0.00 68.15 66.72 1iaw h THR 32 CO 0.02 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.36 1iaw h ALA 33 N -0.49 1.18 -0.17 6.16 0.00 -0.23 0.38 119.26 126.10 1iaw h ALA 33 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1iaw h ALA 33 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1iaw h ALA 33 CO -0.20 0.04 0.03 0.78 0.00 0.00 0.00 179.25 179.90 1iaw h GLY 34 N 0.73 0.25 1.16 0.00 0.00 -0.28 -1.48 103.07 103.46 1iaw h GLY 34 Ca 0.41 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.43 1iaw h GLY 34 CO -0.28 0.11 -0.63 -2.08 0.00 0.00 0.00 176.54 173.66 1iaw h VAL 35 N 0.23 1.27 -0.69 4.60 2.07 0.12 -1.93 116.25 121.92 1iaw h VAL 35 Ca 0.06 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 1iaw h VAL 35 Cb 0.12 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1iaw h VAL 35 CO -0.00 0.59 0.33 -0.07 0.02 0.00 0.00 177.57 178.44 1iaw h LEU 36 N 0.64 0.91 0.41 2.57 3.38 -0.40 0.15 115.31 122.98 1iaw h LEU 36 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1iaw h LEU 36 Cb 1.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1iaw h LEU 36 CO 0.14 0.79 -0.26 -0.09 0.09 0.00 0.00 178.44 179.11 1iaw h ARG 37 N 0.97 -0.62 -0.70 1.13 9.65 -1.25 -1.32 114.38 122.24 1iaw h ARG 37 Ca 0.24 0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.17 1iaw h ARG 37 Cb 0.12 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 1iaw h ARG 37 CO -0.03 -0.41 0.46 -0.44 2.80 0.00 0.00 179.97 182.35 1iaw h ASP 38 N -0.64 0.78 -0.13 -3.80 3.32 -1.07 -2.57 116.42 112.31 1iaw h ASP 38 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1iaw h ASP 38 Cb 0.53 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1iaw h ASP 38 CO 0.05 0.56 0.08 0.74 -1.72 0.00 0.00 179.24 178.95 1iaw h THR 39 N 0.92 1.05 -0.09 0.35 2.02 -0.53 0.34 112.91 116.97 1iaw h THR 39 Ca 0.26 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.36 1iaw h THR 39 Cb -0.08 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1iaw h THR 39 CO -0.07 0.05 -0.20 -0.07 0.37 0.00 0.00 175.52 175.60 1iaw h LEU 40 N 0.15 -0.61 -1.16 2.58 3.38 -1.14 0.32 115.31 118.82 1iaw h LEU 40 Ca 0.05 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.21 1iaw h LEU 40 Cb 0.01 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1iaw h LEU 40 CO -0.01 -0.25 0.59 0.44 0.09 0.00 0.00 178.44 179.29 1iaw h ASP 41 N -0.27 0.85 -0.43 -0.43 3.45 -1.08 0.39 116.42 118.90 1iaw h ASP 41 Ca 0.09 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.54 1iaw h ASP 41 Cb 0.40 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1iaw h ASP 41 CO -0.25 0.51 0.15 -0.61 -1.57 0.00 0.00 179.24 177.47 1iaw h GLN 42 N 0.94 0.65 -0.15 3.56 4.15 0.12 -2.33 115.11 122.05 1iaw h GLN 42 Ca 0.41 -0.13 -0.16 0.00 0.77 0.00 0.00 58.65 59.55 1iaw h GLN 42 Cb 0.36 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1iaw h GLN 42 CO -0.18 0.62 -0.56 1.25 -1.93 0.00 0.00 178.83 178.03 1iaw h LEU 43 N 0.55 0.52 -1.45 -2.39 5.85 0.10 -2.75 115.31 115.73 1iaw h LEU 43 Ca 0.14 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1iaw h LEU 43 Cb 0.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1iaw h LEU 43 CO -0.01 0.97 0.23 1.88 -0.34 0.00 0.00 178.44 181.17 1iaw h TYR 44 N 0.35 0.59 -6.17 1.25 0.99 -0.14 -3.46 116.97 110.39 1iaw h TYR 44 Ca 0.00 -0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 1iaw h TYR 44 Cb 1.09 -0.19 0.02 0.00 1.00 0.00 0.00 36.73 38.64 1iaw h TYR 44 CO 0.04 0.42 -0.73 -3.47 -0.00 0.00 0.00 178.16 174.41 1iaw n ASP 45 N -4.42 -5.32 -0.48 3.88 4.64 -0.89 -4.37 116.55 109.59 1iaw n ASP 45 Ca 0.03 -0.71 0.39 0.00 -1.38 0.00 0.00 54.79 53.13 1iaw n ASP 45 Cb 0.10 -4.23 0.70 0.00 -1.04 0.00 0.00 41.12 36.65 1iaw n ASP 45 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1iaw h GLY 46 N -2.28 0.72 1.02 0.27 0.00 -1.73 -0.88 103.07 100.19 1iaw h GLY 46 Ca -0.58 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1iaw h GLY 46 CO 0.64 -0.20 0.36 -1.61 0.00 0.00 0.00 176.54 175.73 1iaw h GLN 47 N 0.08 1.11 0.04 4.80 4.15 -1.89 -2.02 115.11 121.37 1iaw h GLN 47 Ca 0.78 -0.17 -0.22 0.00 0.77 0.00 0.00 58.65 59.81 1iaw h GLN 47 Cb 2.72 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 30.19 1iaw h GLN 47 CO -0.23 0.87 -1.19 -0.09 -1.93 0.00 0.00 178.83 176.27 1iaw h ARG 48 N 1.08 0.07 -0.00 1.69 2.43 -1.52 -3.28 114.38 114.85 1iaw h ARG 48 Ca 0.26 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1iaw h ARG 48 Cb 0.13 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1iaw h ARG 48 CO -0.03 1.06 -0.65 0.25 -1.51 0.00 0.00 179.97 179.09 1iaw n THR 49 N -4.27 0.00 -1.24 0.20 -2.24 -0.69 -4.95 114.28 101.10 1iaw n THR 49 Ca -0.28 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1iaw n THR 49 Cb 0.73 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1iaw n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iaw n GLY 50 N 1.48 0.91 3.89 3.38 0.00 -0.76 -4.98 105.19 109.10 1iaw n GLY 50 Ca 0.06 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1iaw n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaw s ARG 51 N -2.41 3.69 0.00 1.61 0.52 -1.26 -4.93 118.95 116.16 1iaw s ARG 51 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1iaw s ARG 51 Cb 0.00 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.96 1iaw s ARG 51 CO 0.00 0.07 0.08 -2.67 0.02 0.00 0.00 175.30 172.80 1iaw n TRP 52 N -1.20 0.00 -4.43 -0.53 2.14 -1.26 -4.17 117.44 107.99 1iaw n TRP 52 Ca 0.00 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.36 1iaw n TRP 52 Cb 0.54 0.03 -0.14 0.00 -0.81 0.00 0.00 31.31 30.94 1iaw n TRP 52 CO 0.00 0.00 0.00 1.21 2.07 0.00 0.00 177.69 180.97 1iaw s ASN 53 N 0.00 1.68 0.44 -0.67 3.84 -1.26 -4.67 114.94 114.29 1iaw s ASN 53 Ca 0.00 -0.41 0.15 0.00 0.21 0.00 0.00 52.86 52.81 1iaw s ASN 53 Cb 0.00 -0.13 0.98 0.00 -0.55 0.00 0.00 41.25 41.55 1iaw s ASN 53 CO 0.00 0.07 1.97 0.15 -2.79 0.00 0.00 177.10 176.51 1iaw h PHE 54 N 5.15 0.00 0.00 0.43 3.57 -1.98 -2.28 116.94 121.82 1iaw h PHE 54 Ca -0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1iaw h PHE 54 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1iaw h PHE 54 CO 0.50 0.20 0.00 -0.40 -2.23 0.00 0.00 178.31 176.38 1iaw n ASP 55 N -4.27 0.00 -0.70 0.41 5.68 -1.26 -2.30 116.55 114.11 1iaw n ASP 55 Ca -0.02 -0.98 0.09 0.00 -0.50 0.00 0.00 54.79 53.38 1iaw n ASP 55 Cb 0.26 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.53 1iaw n ASP 55 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iaw n GLN 56 N -1.00 1.90 -3.81 0.11 6.02 -0.86 -4.87 117.38 114.87 1iaw n GLN 56 Ca 0.23 -1.37 -0.33 0.00 -0.01 0.00 0.00 57.00 55.52 1iaw n GLN 56 Cb 0.11 -1.38 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 1iaw n GLN 56 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iaw s LEU 57 N -1.36 4.35 0.84 1.08 1.43 -0.97 -5.05 118.68 119.00 1iaw s LEU 57 Ca 0.31 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 1iaw s LEU 57 Cb 0.17 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.64 1iaw s LEU 57 CO 0.24 0.20 1.10 -1.00 0.23 0.00 0.00 176.35 177.12 1iaw s HIS 58 N -1.42 2.62 0.13 0.29 3.76 -1.26 -4.84 115.29 114.57 1iaw s HIS 58 Ca 0.32 1.16 -0.24 0.00 -0.15 0.00 0.00 55.06 56.15 1iaw s HIS 58 Cb -0.13 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 1iaw s HIS 58 CO 0.21 -2.04 1.65 -0.22 -0.85 0.00 0.00 174.74 173.49 1iaw h LYS 59 N -1.29 -0.27 0.00 1.40 3.64 -1.99 -2.17 116.57 115.90 1iaw h LYS 59 Ca -0.48 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1iaw h LYS 59 Cb 1.28 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1iaw h LYS 59 CO 0.58 -0.18 0.00 0.25 -2.27 0.00 0.00 179.45 177.83 1iaw n THR 60 N -5.34 0.57 0.08 1.00 -2.24 -1.26 -2.17 114.28 104.93 1iaw n THR 60 Ca -0.04 0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 1iaw n THR 60 Cb 0.25 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 1iaw n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iaw h GLU 61 N 0.00 0.02 -0.48 -0.78 5.08 -1.78 -2.71 114.58 113.92 1iaw h GLU 61 Ca 0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1iaw h GLU 61 Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1iaw h GLU 61 CO 0.00 0.94 -0.22 0.87 -1.00 0.00 0.00 179.01 179.59 1iaw h LYS 62 N 0.01 0.99 -0.73 2.33 1.57 -0.90 -2.68 116.57 117.16 1iaw h LYS 62 Ca -0.01 -0.42 0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1iaw h LYS 62 Cb 1.64 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.83 1iaw h LYS 62 CO 0.12 1.10 0.26 1.15 -0.57 0.00 0.00 179.45 181.51 1iaw h THR 63 N 0.85 0.64 -0.37 -0.16 2.02 -1.30 -1.38 112.91 113.22 1iaw h THR 63 Ca 0.11 -0.14 0.09 0.00 0.77 0.00 0.00 66.41 67.24 1iaw h THR 63 Cb 0.80 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1iaw h THR 63 CO 0.07 0.07 0.26 -0.74 0.37 0.00 0.00 175.52 175.55 1iaw h HIS 64 N 0.40 0.11 -1.14 3.16 6.17 -1.16 -2.13 115.15 120.55 1iaw h HIS 64 Ca 0.40 0.00 0.32 0.00 0.71 0.00 0.00 60.37 61.80 1iaw h HIS 64 Cb 0.61 -0.03 -0.09 0.00 2.52 0.00 0.00 27.41 30.41 1iaw h HIS 64 CO -0.19 0.05 0.75 1.98 0.71 0.00 0.00 177.93 181.24 1iaw h MET 65 N 0.10 0.24 0.49 5.26 -1.53 -1.27 0.18 114.93 118.40 1iaw h MET 65 Ca 0.17 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.39 1iaw h MET 65 Cb 0.56 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.56 1iaw h MET 65 CO -0.02 0.16 -0.23 0.78 0.14 0.00 0.00 176.91 177.74 1iaw h GLY 66 N 0.25 -0.68 0.08 1.39 0.00 -1.55 -1.07 103.07 101.48 1iaw h GLY 66 Ca 0.64 0.25 0.11 0.00 0.00 0.00 0.00 47.33 48.33 1iaw h GLY 66 CO -0.26 -0.25 -0.01 -0.84 0.00 0.00 0.00 176.54 175.18 1iaw h THR 67 N -0.86 0.56 -0.23 4.70 2.02 -0.85 -1.58 112.91 116.67 1iaw h THR 67 Ca -0.07 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1iaw h THR 67 Cb 0.58 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1iaw h THR 67 CO 0.11 0.02 0.09 -0.07 0.37 0.00 0.00 175.52 176.04 1iaw h LEU 68 N 0.11 0.11 -1.04 2.58 3.38 -1.07 0.17 115.31 119.54 1iaw h LEU 68 Ca 0.28 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1iaw h LEU 68 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1iaw h LEU 68 CO -0.47 0.09 0.65 0.58 0.09 0.00 0.00 178.44 179.39 1iaw h VAL 69 N 0.20 1.22 -0.25 1.22 2.07 -0.49 0.25 116.25 120.47 1iaw h VAL 69 Ca 0.10 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1iaw h VAL 69 Cb 0.05 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.63 1iaw h VAL 69 CO -0.09 0.24 -0.10 -0.08 0.02 0.00 0.00 177.57 177.56 1iaw h GLU 70 N 1.30 0.51 -0.40 1.57 4.22 -0.90 -0.65 114.58 120.23 1iaw h GLU 70 Ca 0.37 -0.21 -0.11 0.00 0.08 0.00 0.00 59.36 59.49 1iaw h GLU 70 Cb -0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1iaw h GLU 70 CO -0.09 0.76 -0.20 0.82 -2.18 0.00 0.00 179.01 178.11 1iaw h ILE 71 N 0.25 1.27 0.00 2.32 2.04 -0.57 -2.30 117.51 120.52 1iaw h ILE 71 Ca 0.06 -1.30 -0.25 0.00 1.00 0.00 0.00 64.86 64.36 1iaw h ILE 71 Cb 0.59 1.17 0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1iaw h ILE 71 CO 0.03 0.44 -1.02 0.78 0.00 0.00 0.00 178.15 178.38 1iaw h ASN 72 N 0.69 0.79 -0.61 1.72 2.35 -0.47 -2.24 115.58 117.80 1iaw h ASN 72 Ca 0.10 -0.63 -0.02 0.00 -0.55 0.00 0.00 56.30 55.20 1iaw h ASN 72 Cb 0.71 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1iaw h ASN 72 CO 0.05 1.43 0.29 -0.07 -1.65 0.00 0.00 177.43 177.49 1iaw h LEU 73 N 0.34 0.80 -0.13 1.61 3.38 -1.15 -1.46 115.31 118.71 1iaw h LEU 73 Ca -0.11 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1iaw h LEU 73 Cb 1.66 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.15 1iaw h LEU 73 CO 0.19 0.71 -0.29 -0.74 0.09 0.00 0.00 178.44 178.40 1iaw h HIS 74 N 0.84 -0.80 -0.76 1.13 2.76 -1.37 -1.19 115.15 115.77 1iaw h HIS 74 Ca 0.21 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1iaw h HIS 74 Cb 0.12 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 1iaw h HIS 74 CO 0.00 -0.37 0.42 -0.09 -1.30 0.00 0.00 177.93 176.58 1iaw h ARG 75 N -0.37 1.05 0.52 5.26 2.43 -1.17 0.12 114.38 122.23 1iaw h ARG 75 Ca 0.10 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1iaw h ARG 75 Cb 0.52 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1iaw h ARG 75 CO -0.34 0.77 -0.25 1.49 -1.51 0.00 0.00 179.97 180.13 1iaw h GLU 76 N 1.06 -0.68 -0.00 0.20 4.57 -0.53 -3.27 114.58 115.94 1iaw h GLU 76 Ca 0.27 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1iaw h GLU 76 Cb 0.03 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1iaw h GLU 76 CO -0.04 -0.45 -0.01 1.19 -1.18 0.00 0.00 179.01 178.52 1iaw n PHE 77 N -4.46 0.00 -3.83 0.92 3.01 -0.52 -4.94 117.46 107.65 1iaw n PHE 77 Ca -0.09 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.11 1iaw n PHE 77 Cb 0.28 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.72 1iaw n PHE 77 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1iaw n GLN 78 N -0.84 -3.08 -2.44 -1.08 1.13 0.42 -4.93 117.38 106.56 1iaw n GLN 78 Ca 0.22 0.46 -0.36 0.00 -1.94 0.00 0.00 57.00 55.38 1iaw n GLN 78 Cb 0.17 -4.55 -0.03 0.00 0.11 0.00 0.00 30.24 25.94 1iaw n GLN 78 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1iaw s PHE 79 N -3.78 3.03 0.56 1.08 0.08 -1.13 -5.03 117.98 112.79 1iaw s PHE 79 Ca 0.12 1.59 -0.11 0.00 0.12 0.00 0.00 56.93 58.65 1iaw s PHE 79 Cb -0.04 -3.20 -0.05 0.00 -0.57 0.00 0.00 43.02 39.16 1iaw s PHE 79 CO 0.87 -1.01 0.96 0.20 -0.10 0.00 0.00 175.22 176.13 1iaw s GLY 80 N -1.64 1.74 0.88 4.36 0.00 -1.25 -4.94 107.32 106.47 1iaw s GLY 80 Ca 0.63 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 45.14 1iaw s GLY 80 CO 0.27 0.14 1.12 0.99 0.00 0.00 0.00 173.10 175.63 1iaw s ASP 81 N -3.85 3.34 0.21 1.64 1.01 -1.26 -2.21 116.67 115.54 1iaw s ASP 81 Ca 0.54 2.03 0.05 0.00 0.71 0.00 0.00 52.55 55.88 1iaw s ASP 81 Cb -0.11 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 1iaw s ASP 81 CO 0.46 -2.81 0.23 -0.83 0.21 0.00 0.00 175.17 172.44 1iaw s GLY 82 N -2.92 1.48 0.04 0.21 0.00 -1.08 -3.97 107.32 101.09 1iaw s GLY 82 Ca 0.65 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.83 1iaw s GLY 82 CO 0.58 -1.29 1.42 -2.75 0.00 0.00 0.00 173.10 171.06 1iaw h PHE 83 N 1.74 -0.55 0.00 1.90 3.04 -1.93 -3.39 116.94 117.75 1iaw h PHE 83 Ca -0.49 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.43 1iaw h PHE 83 Cb 1.22 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.91 1iaw h PHE 83 CO 0.53 -0.26 -1.19 -1.91 -2.02 0.00 0.00 178.31 173.47 1iaw n GLU 84 N -5.28 1.19 -3.38 1.11 2.13 -1.26 -5.05 120.64 110.11 1iaw n GLU 84 Ca -0.11 -0.02 -0.19 0.00 0.66 0.00 0.00 57.16 57.49 1iaw n GLU 84 Cb 0.29 -1.09 -0.00 0.00 0.27 0.00 0.00 31.44 30.91 1iaw n GLU 84 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1iaw s THR 85 N -2.20 4.01 0.23 6.31 -4.23 -1.26 -5.01 115.64 113.48 1iaw s THR 85 Ca -0.01 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1iaw s THR 85 Cb 0.02 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.66 1iaw s THR 85 CO 0.15 -0.17 1.69 0.44 -0.54 0.00 0.00 174.62 176.18 1iaw h ASP 86 N 0.80 -0.04 -3.98 3.99 3.32 -1.85 -2.85 116.42 115.81 1iaw h ASP 86 Ca -0.46 0.14 -0.35 0.00 0.02 0.00 0.00 57.03 56.38 1iaw h ASP 86 Cb 1.26 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.93 1iaw h ASP 86 CO 0.53 -0.04 -0.29 -1.22 -1.72 0.00 0.00 179.24 176.50 1iaw n TYR 87 N -5.17 0.08 -3.69 4.55 0.53 0.62 -2.86 117.16 111.22 1iaw n TYR 87 Ca 0.12 -1.64 -0.16 0.00 -1.02 0.00 0.00 57.90 55.20 1iaw n TYR 87 Cb 0.40 -0.00 -0.15 0.00 -1.03 0.00 0.00 39.34 38.55 1iaw n TYR 87 CO 0.00 0.00 0.00 -2.00 -1.02 0.00 0.00 176.86 173.84 1iaw s GLU 88 N -2.97 0.05 -0.09 -0.72 2.12 -0.94 -2.02 118.70 114.12 1iaw s GLU 88 Ca 0.13 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1iaw s GLU 88 Cb 0.01 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.17 1iaw s GLU 88 CO 0.09 -0.26 -0.08 0.42 -0.54 0.00 0.00 175.26 174.89 1iaw s ILE 89 N 1.91 0.95 -1.46 -3.70 1.01 0.16 -3.88 121.20 116.19 1iaw s ILE 89 Ca -0.01 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1iaw s ILE 89 Cb -0.12 -0.96 0.08 0.00 0.01 0.00 0.00 42.46 41.47 1iaw s ILE 89 CO -0.06 0.34 0.75 0.00 0.00 0.00 0.00 174.94 175.98 1iaw n ALA 90 N 4.64 -1.16 -0.03 9.38 0.00 -1.26 -0.29 120.51 131.80 1iaw n ALA 90 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1iaw n ALA 90 Cb 0.50 -3.76 0.00 0.00 0.00 0.00 0.00 19.45 16.19 1iaw n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iaw n GLY 91 N -1.47 2.49 3.88 0.00 0.00 -1.26 -4.92 105.19 103.91 1iaw n GLY 91 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1iaw n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iaw s VAL 92 N -2.88 5.31 -0.41 1.61 1.01 0.61 -5.06 120.40 120.60 1iaw s VAL 92 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1iaw s VAL 92 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1iaw s VAL 92 CO 0.00 0.44 0.95 -1.10 0.00 0.00 0.00 175.10 175.38 1iaw s GLN 93 N -1.54 3.74 0.04 2.72 -1.52 -1.26 0.40 119.66 122.24 1iaw s GLN 93 Ca 0.25 0.45 0.09 0.00 -1.95 0.00 0.00 55.36 54.19 1iaw s GLN 93 Cb -0.13 -3.85 -0.03 0.00 -0.22 0.00 0.00 33.01 28.78 1iaw s GLN 93 CO 0.13 -1.07 -0.24 0.08 -0.25 0.00 0.00 175.29 173.94 1iaw s VAL 94 N 3.65 2.31 0.07 1.09 1.01 -0.85 -3.44 120.40 124.23 1iaw s VAL 94 Ca 0.39 -1.30 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1iaw s VAL 94 Cb -0.11 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1iaw s VAL 94 CO 0.22 0.39 -0.14 -1.81 0.00 0.00 0.00 175.10 173.75 1iaw s ASP 95 N -1.22 4.10 -0.12 3.32 -0.00 -0.70 -0.27 116.67 121.79 1iaw s ASP 95 Ca 0.12 -0.41 -0.04 0.00 -0.00 0.00 0.00 52.55 52.22 1iaw s ASP 95 Cb -0.10 -0.72 -0.04 0.00 -0.00 0.00 0.00 42.92 42.06 1iaw s ASP 95 CO 0.02 0.22 0.04 0.00 -0.00 0.00 0.00 175.17 175.46 1iaw s LYS 97 N -0.53 0.32 0.02 0.00 -0.14 -0.37 -4.92 119.74 114.11 1iaw s LYS 97 Ca 0.10 -0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.51 1iaw s LYS 97 Cb -0.12 -0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 35.74 1iaw s LYS 97 CO 0.02 0.07 -0.03 0.12 -0.76 0.00 0.00 175.35 174.77 1iaw s PHE 98 N -0.25 0.30 -0.05 3.18 5.36 -1.26 -1.09 117.98 124.17 1iaw s PHE 98 Ca -0.00 -0.53 -0.25 0.00 -0.96 0.00 0.00 56.93 55.19 1iaw s PHE 98 Cb -0.02 -0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 1iaw s PHE 98 CO -0.00 -0.18 0.55 0.45 -1.46 0.00 0.00 175.22 174.57 1iaw s SER 99 N -1.49 -0.50 0.40 6.13 0.15 -1.02 -4.81 113.70 112.56 1iaw s SER 99 Ca -0.15 0.53 0.24 0.00 0.70 0.00 0.00 55.95 57.27 1iaw s SER 99 Cb -0.10 0.51 0.45 0.00 -1.71 0.00 0.00 66.02 65.17 1iaw s SER 99 CO -0.01 -0.53 1.65 0.00 1.20 0.00 0.00 173.24 175.55 1iaw h MET 100 N 3.44 0.00 -4.97 5.44 -0.00 -1.89 -3.34 114.93 113.60 1iaw h MET 100 Ca -0.28 0.00 -0.65 0.00 -0.00 0.00 0.00 59.70 58.77 1iaw h MET 100 Cb 1.15 0.00 -0.23 0.00 -0.00 0.00 0.00 31.60 32.52 1iaw h MET 100 CO 0.38 0.00 -0.64 -1.12 -0.00 0.00 0.00 176.91 175.53 1iaw s SER 101 N -5.88 5.03 0.09 -0.10 0.01 -1.26 -4.78 113.70 106.80 1iaw s SER 101 Ca 0.07 -0.22 -0.37 0.00 1.31 0.00 0.00 55.95 56.75 1iaw s SER 101 Cb 0.06 -1.90 -0.17 0.00 0.21 0.00 0.00 66.02 64.23 1iaw s SER 101 CO 0.65 -0.02 1.31 1.67 0.41 0.00 0.00 173.24 177.26 1iaw n GLN 102 N 4.83 1.09 -0.81 12.44 -0.06 -1.26 -1.21 117.38 132.39 1iaw n GLN 102 Ca -0.16 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1iaw n GLN 102 Cb 0.51 -2.01 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 1iaw n GLN 102 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1iaw n GLY 103 N 2.42 0.42 0.89 1.69 0.00 -1.26 -4.90 105.19 104.45 1iaw n GLY 103 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1iaw n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iaw n ALA 104 N 1.00 2.85 -1.68 4.61 0.00 -0.35 -4.51 120.51 122.42 1iaw n ALA 104 Ca 0.00 -0.69 -0.44 0.00 0.00 0.00 0.00 53.44 52.31 1iaw n ALA 104 Cb 0.07 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1iaw n ALA 104 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1iaw n TRP 105 N 0.31 2.24 -3.09 0.00 8.01 -1.26 -4.97 117.44 118.68 1iaw n TRP 105 Ca 0.11 0.45 -0.42 0.00 -1.31 0.00 0.00 57.50 56.33 1iaw n TRP 105 Cb 0.50 -2.46 -0.06 0.00 -2.01 0.00 0.00 31.31 27.28 1iaw n TRP 105 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1iaw s MET 106 N -0.74 3.77 -0.26 -0.99 -1.94 -1.26 -4.39 119.30 113.49 1iaw s MET 106 Ca 0.65 0.18 -0.06 0.00 -1.71 0.00 0.00 55.69 54.76 1iaw s MET 106 Cb -0.62 -3.78 -0.01 0.00 2.01 0.00 0.00 34.83 32.43 1iaw s MET 106 CO 0.52 -0.70 0.03 -0.51 -0.01 0.00 0.00 175.02 174.36 1iaw s LEU 107 N 2.74 3.40 0.55 -0.03 1.43 -0.43 -4.92 118.68 121.41 1iaw s LEU 107 Ca 0.26 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1iaw s LEU 107 Cb -0.14 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1iaw s LEU 107 CO 0.14 -0.09 0.86 -2.16 0.23 0.00 0.00 176.35 175.33 1iaw s PRO 108 N 1.51 3.26 0.54 1.29 0.04 -1.26 -1.05 135.00 139.33 1iaw s PRO 108 Ca 0.04 0.17 0.36 0.00 0.04 0.00 0.00 61.00 61.61 1iaw s PRO 108 Cb -0.16 -2.30 1.54 0.00 0.04 0.00 0.00 34.50 33.63 1iaw s PRO 108 CO 0.00 -0.47 1.81 -1.00 0.04 0.00 0.00 177.00 177.39 1iaw h PRO 109 N -0.02 0.00 0.00 0.56 0.13 -1.91 -0.38 132.00 130.38 1iaw h PRO 109 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1iaw h PRO 109 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1iaw h PRO 109 CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 1iaw n GLU 110 N -4.17 0.80 -0.00 0.86 0.00 -1.26 -3.11 120.64 113.76 1iaw n GLU 110 Ca 0.24 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.51 1iaw n GLU 110 Cb 1.20 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 31.01 1iaw n GLU 110 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1iaw n SER 111 N -1.06 0.71 -4.66 -1.84 3.41 -0.15 -4.88 113.62 105.15 1iaw n SER 111 Ca 0.20 -0.70 -0.46 0.00 -0.26 0.00 0.00 58.87 57.65 1iaw n SER 111 Cb 0.12 1.29 -0.04 0.00 -0.26 0.00 0.00 64.21 65.33 1iaw n SER 111 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iaw n ILE 112 N -1.72 0.46 0.00 -1.33 5.41 -1.18 -0.81 119.36 120.19 1iaw n ILE 112 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1iaw n ILE 112 Cb 0.40 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 1iaw n ILE 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1iaw n GLY 113 N 2.72 3.13 3.94 7.39 0.00 0.56 -5.01 105.19 117.91 1iaw n GLY 113 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1iaw n GLY 113 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1iaw s HIS 114 N -1.63 2.93 -0.12 1.61 3.76 0.01 -4.79 115.29 117.07 1iaw s HIS 114 Ca 0.00 0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 55.20 1iaw s HIS 114 Cb 0.00 -3.07 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 1iaw s HIS 114 CO 0.00 -1.25 0.13 0.42 -0.85 0.00 0.00 174.74 173.19 1iaw s ILE 115 N -3.12 5.45 0.01 0.60 1.01 -1.22 -2.28 121.20 121.64 1iaw s ILE 115 Ca 0.59 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.51 1iaw s ILE 115 Cb -0.11 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1iaw s ILE 115 CO 0.43 0.62 -0.25 0.00 0.00 0.00 0.00 174.94 175.74 1iaw s LEU 117 N -0.85 5.43 -0.38 0.00 2.96 0.64 -1.59 118.68 124.89 1iaw s LEU 117 Ca 0.10 -1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 1iaw s LEU 117 Cb -0.10 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1iaw s LEU 117 CO 0.00 -0.79 0.42 0.68 -1.32 0.00 0.00 176.35 175.34 1iaw s VAL 118 N 2.07 5.11 0.06 1.68 -7.23 0.03 -1.24 120.40 120.87 1iaw s VAL 118 Ca 0.08 -0.07 0.07 0.00 -1.81 0.00 0.00 61.98 60.25 1iaw s VAL 118 Cb -0.23 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 1iaw s VAL 118 CO 0.08 -0.25 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.85 1iaw s ILE 119 N 2.14 3.10 -0.10 -0.62 1.01 -0.25 -0.74 121.20 125.73 1iaw s ILE 119 Ca 0.13 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 1iaw s ILE 119 Cb -0.17 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 39.97 1iaw s ILE 119 CO 0.13 0.27 0.27 0.86 0.00 0.00 0.00 174.94 176.46 1iaw s TRP 120 N -1.03 -0.30 0.01 3.97 -0.00 -0.71 -2.45 118.94 118.44 1iaw s TRP 120 Ca 0.17 0.73 -0.06 0.00 -0.00 0.00 0.00 56.10 56.93 1iaw s TRP 120 Cb -0.11 0.10 -0.00 0.00 -0.00 0.00 0.00 33.47 33.46 1iaw s TRP 120 CO 0.08 -0.15 0.12 0.00 -0.00 0.00 0.00 176.95 177.00 1iaw s ALA 121 N 0.21 -0.24 -0.07 5.86 0.00 -1.25 -0.81 121.76 125.45 1iaw s ALA 121 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1iaw s ALA 121 Cb -0.02 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1iaw s ALA 121 CO -0.00 -0.23 0.01 0.45 0.00 0.00 0.00 175.76 175.99 1iaw s SER 122 N -1.58 1.60 0.14 0.00 0.15 -0.47 -4.75 113.70 108.79 1iaw s SER 122 Ca -0.12 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 1iaw s SER 122 Cb -0.06 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.80 1iaw s SER 122 CO -0.00 -0.21 1.46 -0.78 1.20 0.00 0.00 173.24 174.90 1iaw h ASP 123 N 8.34 1.01 -0.33 5.45 1.82 -1.97 -2.32 116.42 128.42 1iaw h ASP 123 Ca -0.18 -0.48 0.01 0.00 -0.39 0.00 0.00 57.03 55.99 1iaw h ASP 123 Cb 1.12 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 1iaw h ASP 123 CO 0.25 1.29 0.20 -0.61 -1.61 0.00 0.00 179.24 178.75 1iaw h GLN 124 N 0.75 0.39 0.00 0.28 5.75 -1.95 -1.34 115.11 118.98 1iaw h GLN 124 Ca 0.05 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1iaw h GLN 124 Cb 1.03 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1iaw h GLN 124 CO 0.10 0.26 0.00 1.04 -2.65 0.00 0.00 178.83 177.58 1iaw n GLN 125 N -4.90 0.98 -4.02 1.69 6.02 -1.22 -4.89 117.38 111.04 1iaw n GLN 125 Ca -0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 1iaw n GLN 125 Cb 0.05 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 1iaw n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iaw s ALA 127 N -3.64 0.20 0.09 0.00 0.00 -0.90 -0.83 121.76 116.68 1iaw s ALA 127 Ca 0.33 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 1iaw s ALA 127 Cb -0.17 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1iaw s ALA 127 CO 0.89 -0.34 0.28 1.67 0.00 0.00 0.00 175.76 178.25 1iaw s TRP 128 N -3.20 -0.00 0.04 0.00 1.48 -1.26 -1.36 118.94 114.64 1iaw s TRP 128 Ca 0.00 -0.35 -0.04 0.00 -1.06 0.00 0.00 56.10 54.65 1iaw s TRP 128 Cb 0.03 0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 32.39 1iaw s TRP 128 CO -0.07 -0.59 0.06 0.95 -4.06 0.00 0.00 176.95 173.23 1iaw s THR 129 N -3.65 0.15 -0.14 0.66 -4.23 0.01 -5.00 115.64 103.44 1iaw s THR 129 Ca 0.03 -1.28 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 1iaw s THR 129 Cb 0.03 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.88 1iaw s THR 129 CO -0.10 -0.70 0.35 0.00 -0.54 0.00 0.00 174.62 173.62 1iaw s ALA 130 N -2.97 -0.86 0.34 3.99 0.00 -1.26 -1.73 121.76 119.27 1iaw s ALA 130 Ca -0.02 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1iaw s ALA 130 Cb 0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1iaw s ALA 130 CO -0.06 -0.21 0.33 0.20 0.00 0.00 0.00 175.76 176.01 1iaw s GLY 131 N 0.95 2.17 0.02 0.00 0.00 0.08 0.00 107.32 110.54 1iaw s GLY 131 Ca -0.06 -1.96 0.04 0.00 0.00 0.00 0.00 44.72 42.74 1iaw s GLY 131 CO -0.07 -1.36 -0.13 1.08 0.00 0.00 0.00 173.10 172.62 1iaw s LEU 132 N -3.35 2.11 -0.14 0.66 1.43 -0.78 -0.79 118.68 117.82 1iaw s LEU 132 Ca 0.38 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 1iaw s LEU 132 Cb 0.02 -0.58 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1iaw s LEU 132 CO 0.27 0.07 0.37 0.54 0.23 0.00 0.00 176.35 177.82 1iaw s VAL 133 N -0.64 -0.01 -0.56 -1.59 0.11 -0.62 -0.46 120.40 116.63 1iaw s VAL 133 Ca 0.02 0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 1iaw s VAL 133 Cb -0.07 -0.52 0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1iaw s VAL 133 CO 0.00 0.01 0.87 -0.75 -3.33 0.00 0.00 175.10 171.91 1iaw s LYS 134 N 0.48 3.23 0.02 1.54 2.47 -1.26 -1.39 119.74 124.83 1iaw s LYS 134 Ca -0.02 -0.55 -0.30 0.00 -1.56 0.00 0.00 55.97 53.54 1iaw s LYS 134 Cb -0.04 -4.10 -0.08 0.00 -1.46 0.00 0.00 37.83 32.14 1iaw s LYS 134 CO -0.02 -1.50 1.85 0.08 0.16 0.00 0.00 175.35 175.92 1iaw s VAL 135 N 3.65 3.12 -0.06 4.02 1.01 -0.97 -4.93 120.40 126.26 1iaw s VAL 135 Ca 0.25 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 1iaw s VAL 135 Cb -0.15 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1iaw s VAL 135 CO 0.15 -0.02 0.01 -0.63 0.00 0.00 0.00 175.10 174.61 1iaw s ILE 136 N 4.07 0.26 0.58 2.22 1.01 -1.26 -0.33 121.20 127.75 1iaw s ILE 136 Ca 0.83 0.15 0.30 0.00 0.00 0.00 0.00 60.65 61.92 1iaw s ILE 136 Cb -0.40 -0.42 0.44 0.00 0.01 0.00 0.00 42.46 42.09 1iaw s ILE 136 CO 0.37 0.22 1.30 -0.81 0.00 0.00 0.00 174.94 176.02 1iaw n PRO 137 N 4.88 0.01 -0.02 2.79 -0.04 -1.26 0.24 135.00 141.59 1iaw n PRO 137 Ca -0.12 1.00 -0.08 0.00 -0.04 0.00 0.00 63.50 64.26 1iaw n PRO 137 Cb 0.50 -2.45 0.09 0.00 -0.04 0.00 0.00 33.50 31.60 1iaw n PRO 137 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1iaw h GLN 138 N 0.00 0.62 -0.65 0.54 4.15 -2.00 -3.13 115.11 114.64 1iaw h GLN 138 Ca 0.55 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1iaw h GLN 138 Cb 2.99 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 30.67 1iaw h GLN 138 CO -0.01 0.90 0.04 1.19 -1.93 0.00 0.00 178.83 179.02 1iaw n PHE 139 N -4.04 1.93 -4.51 3.99 0.99 0.14 -4.93 117.46 111.03 1iaw n PHE 139 Ca -0.02 -0.72 -0.33 0.00 -0.00 0.00 0.00 57.45 56.39 1iaw n PHE 139 Cb 0.51 -0.50 -0.11 0.00 -1.00 0.00 0.00 39.48 38.39 1iaw n PHE 139 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1iaw s LEU 140 N -2.50 3.15 0.00 4.37 1.43 -1.19 -0.94 118.68 123.00 1iaw s LEU 140 Ca 0.49 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1iaw s LEU 140 Cb 0.38 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.82 1iaw s LEU 140 CO 0.14 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1iaw n GLY 141 N 1.74 0.44 3.77 -3.19 0.00 0.62 -4.76 105.19 103.80 1iaw n GLY 141 Ca -0.16 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1iaw n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iaw s THR 142 N 0.86 2.45 0.51 2.61 2.01 -1.26 -4.60 115.64 118.22 1iaw s THR 142 Ca 0.00 0.40 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 1iaw s THR 142 Cb 0.00 -3.23 -0.07 0.00 0.01 0.00 0.00 72.50 69.21 1iaw s THR 142 CO 0.00 0.05 1.08 0.00 -0.69 0.00 0.00 174.62 175.07 1iaw s ALA 143 N -1.26 2.79 1.03 7.40 0.00 -1.26 -4.43 121.76 126.03 1iaw s ALA 143 Ca 0.59 0.72 -0.13 0.00 0.00 0.00 0.00 51.96 53.14 1iaw s ALA 143 Cb -0.39 -3.31 0.18 0.00 0.00 0.00 0.00 23.12 19.60 1iaw s ALA 143 CO 0.50 -0.53 0.99 -1.71 0.00 0.00 0.00 175.76 175.01 1iaw n ASN 144 N -1.10 -0.18 0.24 0.00 4.05 0.25 -4.84 115.26 113.69 1iaw n ASN 144 Ca 0.10 -1.32 0.15 0.00 0.45 0.00 0.00 54.58 53.96 1iaw n ASN 144 Cb 0.52 -0.77 0.48 0.00 1.23 0.00 0.00 39.78 41.24 1iaw n ASN 144 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1iaw h ARG 145 N 0.00 0.00 -0.52 1.20 2.43 -1.97 -2.04 114.38 113.47 1iaw h ARG 145 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1iaw h ARG 145 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1iaw h ARG 145 CO 0.23 0.00 0.00 -3.47 -1.51 0.00 0.00 179.97 175.22 1iaw n ASP 146 N -2.97 3.49 -0.94 -3.80 2.03 -1.26 -4.95 116.55 108.15 1iaw n ASP 146 Ca 0.02 -1.97 -0.07 0.00 0.52 0.00 0.00 54.79 53.29 1iaw n ASP 146 Cb 0.38 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1iaw n ASP 146 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1iaw n LEU 147 N 1.28 -1.53 -4.91 -2.67 4.77 -0.77 -4.89 117.00 108.27 1iaw n LEU 147 Ca 0.19 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1iaw n LEU 147 Cb 0.55 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 1iaw n LEU 147 CO 0.14 -0.02 -0.09 -0.54 -1.33 0.00 0.00 177.39 175.54 1iaw s LYS 148 N -4.55 3.50 0.18 3.23 1.02 -1.26 -3.93 119.74 117.92 1iaw s LYS 148 Ca 0.04 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 55.78 1iaw s LYS 148 Cb -0.02 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1iaw s LYS 148 CO 0.04 0.57 -0.14 1.03 -0.92 0.00 0.00 175.35 175.93 1iaw s ARG 149 N -2.52 1.23 0.29 1.68 0.52 -0.22 0.87 118.95 120.79 1iaw s ARG 149 Ca 0.36 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.15 1iaw s ARG 149 Cb -0.13 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 1iaw s ARG 149 CO 0.26 0.17 0.26 1.03 0.02 0.00 0.00 175.30 177.05 1iaw s ARG 150 N -3.43 2.90 0.25 3.54 0.52 -1.26 -1.32 118.95 120.15 1iaw s ARG 150 Ca 0.19 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.98 1iaw s ARG 150 Cb -0.01 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.80 1iaw s ARG 150 CO 0.05 0.27 1.18 -0.51 0.02 0.00 0.00 175.30 176.31 1iaw s LEU 151 N -3.93 4.49 0.87 2.53 1.43 -1.26 -0.28 118.68 122.53 1iaw s LEU 151 Ca 0.37 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.67 1iaw s LEU 151 Cb -0.07 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.64 1iaw s LEU 151 CO 0.26 -0.31 1.17 0.42 0.23 0.00 0.00 176.35 178.12 1iaw s THR 152 N -0.68 1.99 0.36 5.49 -4.23 -0.11 -4.73 115.64 113.74 1iaw s THR 152 Ca 0.49 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.07 1iaw s THR 152 Cb -0.34 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 70.93 1iaw s THR 152 CO 0.41 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.77 1iaw h PRO 153 N -1.32 0.71 -0.63 3.99 0.11 -1.95 0.15 132.00 133.06 1iaw h PRO 153 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1iaw h PRO 153 Cb 1.33 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1iaw h PRO 153 CO 0.62 0.47 0.30 1.49 -0.21 0.00 0.00 178.00 180.67 1iaw h GLU 154 N 0.73 0.92 0.00 1.05 4.81 -1.91 -2.55 114.58 117.62 1iaw h GLU 154 Ca 0.35 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1iaw h GLU 154 Cb 0.41 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1iaw h GLU 154 CO -0.13 0.74 -0.16 0.78 -0.73 0.00 0.00 179.01 179.51 1iaw h GLY 155 N 0.87 0.00 2.00 1.92 0.00 -0.93 -2.14 103.07 104.79 1iaw h GLY 155 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1iaw h GLY 155 CO -0.03 0.00 -0.22 3.21 0.00 0.00 0.00 176.54 179.50 1iaw h ARG 156 N 0.00 0.00 0.00 4.80 3.08 -0.80 -3.01 114.38 118.45 1iaw h ARG 156 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1iaw h ARG 156 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1iaw h ARG 156 CO 0.02 0.22 -0.14 0.00 -1.07 0.00 0.00 179.97 179.01 1iaw h ALA 157 N 1.78 1.01 0.00 0.04 0.00 -1.20 -2.96 119.26 117.92 1iaw h ALA 157 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1iaw h ALA 157 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1iaw h ALA 157 CO 0.03 0.17 -0.41 1.04 0.00 0.00 0.00 179.25 180.08 1iaw n GLN 158 N -3.26 0.25 -1.93 0.00 1.13 -1.14 -4.89 117.38 107.54 1iaw n GLN 158 Ca 0.01 0.11 -0.41 0.00 -1.94 0.00 0.00 57.00 54.77 1iaw n GLN 158 Cb 0.40 -1.70 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 1iaw n GLN 158 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1iaw s VAL 159 N -3.13 2.40 -0.47 5.09 1.01 -1.12 -4.83 120.40 119.36 1iaw s VAL 159 Ca 0.08 0.36 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1iaw s VAL 159 Cb 0.14 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.35 1iaw s VAL 159 CO 0.68 0.07 0.41 -0.69 0.00 0.00 0.00 175.10 175.56 1iaw s VAL 160 N -0.45 5.20 0.37 2.92 1.01 0.39 -4.90 120.40 124.93 1iaw s VAL 160 Ca 0.57 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 1iaw s VAL 160 Cb -0.44 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 1iaw s VAL 160 CO 0.50 -0.56 1.43 0.29 0.00 0.00 0.00 175.10 176.76 1iaw n LYS 161 N 5.31 2.51 -4.77 2.72 5.02 -1.26 -1.87 118.16 125.83 1iaw n LYS 161 Ca -0.11 0.88 -0.33 0.00 -2.02 0.00 0.00 58.31 56.73 1iaw n LYS 161 Cb 0.44 -2.57 -0.13 0.00 -0.02 0.00 0.00 35.03 32.75 1iaw n LYS 161 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1iaw s LEU 162 N -1.78 2.88 -0.58 -0.35 1.43 0.10 -4.82 118.68 115.56 1iaw s LEU 162 Ca 0.54 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.38 1iaw s LEU 162 Cb -0.50 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1iaw s LEU 162 CO 0.63 0.31 0.65 0.79 0.23 0.00 0.00 176.35 178.96 1iaw n TRP 163 N 2.59 -3.20 -1.89 0.29 8.01 -1.26 -4.52 117.44 117.46 1iaw n TRP 163 Ca -0.18 1.26 -0.35 0.00 -1.31 0.00 0.00 57.50 56.93 1iaw n TRP 163 Cb 0.52 -3.99 0.04 0.00 -2.01 0.00 0.00 31.31 25.87 1iaw n TRP 163 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1iaw s PRO 164 N -2.85 2.83 -1.36 -0.99 0.02 -1.26 -3.49 135.00 127.90 1iaw s PRO 164 Ca 0.13 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.85 1iaw s PRO 164 Cb -0.04 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1iaw s PRO 164 CO 0.77 -1.28 0.02 -0.25 -0.33 0.00 0.00 177.00 175.92 1iaw n ASP 165 N -1.92 0.77 -4.28 2.53 8.00 -1.26 -4.92 116.55 115.46 1iaw n ASP 165 Ca 0.13 -1.12 -0.29 0.00 0.71 0.00 0.00 54.79 54.22 1iaw n ASP 165 Cb 0.50 -1.39 0.17 0.00 -0.02 0.00 0.00 41.12 40.38 1iaw n ASP 165 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1iaw s HIS 166 N -4.18 1.77 0.70 1.24 -3.43 -1.23 -5.04 115.29 105.12 1iaw s HIS 166 Ca 0.02 0.32 -0.11 0.00 -0.80 0.00 0.00 55.06 54.49 1iaw s HIS 166 Cb -0.01 -3.93 0.01 0.00 -1.43 0.00 0.00 32.58 27.21 1iaw s HIS 166 CO 0.88 -2.44 1.06 0.20 -2.00 0.00 0.00 174.74 172.43 1iaw s GLY 167 N -4.84 1.68 0.78 -1.38 0.00 -1.26 -5.03 107.32 97.28 1iaw s GLY 167 Ca 0.72 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 1iaw s GLY 167 CO 0.52 0.41 1.09 -1.59 0.00 0.00 0.00 173.10 173.52 1iaw s LYS 168 N -5.01 2.18 0.31 2.90 -2.85 -1.26 -4.83 119.74 111.17 1iaw s LYS 168 Ca 0.58 1.04 -0.29 0.00 -1.00 0.00 0.00 55.97 56.30 1iaw s LYS 168 Cb -0.14 -1.90 -0.11 0.00 -2.06 0.00 0.00 37.83 33.62 1iaw s LYS 168 CO 0.55 -1.66 1.52 -1.17 0.10 0.00 0.00 175.35 174.69 1iaw s LEU 169 N -5.90 4.35 -0.13 2.77 2.96 -0.01 -4.87 118.68 117.84 1iaw s LEU 169 Ca 0.61 2.90 -0.33 0.00 -0.22 0.00 0.00 54.13 57.10 1iaw s LEU 169 Cb -0.17 -3.64 -0.10 0.00 0.50 0.00 0.00 46.19 42.78 1iaw s LEU 169 CO 0.56 -0.84 1.99 1.67 -1.32 0.00 0.00 176.35 178.41 1iaw n GLN 170 N 1.74 2.07 -1.47 1.98 7.27 -1.26 -4.75 117.38 122.96 1iaw n GLN 170 Ca 0.06 0.71 -0.46 0.00 0.07 0.00 0.00 57.00 57.38 1iaw n GLN 170 Cb 0.39 -2.76 -0.02 0.00 2.41 0.00 0.00 30.24 30.26 1iaw n GLN 170 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1iaw n GLU 171 N 7.32 0.54 -3.53 3.69 2.13 -1.26 -4.96 120.64 124.56 1iaw n GLU 171 Ca 0.26 0.19 -0.42 0.00 0.66 0.00 0.00 57.16 57.85 1iaw n GLU 171 Cb 0.32 -1.34 -0.09 0.00 0.27 0.00 0.00 31.44 30.60 1iaw n GLU 171 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1iaw s ASN 172 N -0.83 5.82 0.05 4.31 3.84 -1.26 -5.02 114.94 121.85 1iaw s ASN 172 Ca 0.62 -1.34 -0.16 0.00 0.21 0.00 0.00 52.86 52.18 1iaw s ASN 172 Cb -0.82 -2.06 -0.07 0.00 -0.55 0.00 0.00 41.25 37.75 1iaw s ASN 172 CO 0.58 -0.54 1.26 0.25 -2.79 0.00 0.00 177.10 175.85 1iaw h LEU 173 N 8.52 -0.73 -1.69 3.21 5.85 -1.96 -2.59 115.31 125.92 1iaw h LEU 173 Ca -0.25 0.07 0.26 0.00 0.84 0.00 0.00 57.88 58.80 1iaw h LEU 173 Cb 1.10 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1iaw h LEU 173 CO 0.78 -0.27 0.67 -0.07 -0.34 0.00 0.00 178.44 179.21 1iaw h LEU 174 N -0.38 0.23 -0.90 2.25 3.38 -1.95 0.15 115.31 118.09 1iaw h LEU 174 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iaw h LEU 174 Cb 0.37 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1iaw h LEU 174 CO -0.11 0.07 0.00 0.25 0.09 0.00 0.00 178.44 178.73 1iaw h LEU 175 N 0.22 0.00 -2.16 1.67 5.85 -1.74 -3.33 115.31 115.82 1iaw h LEU 175 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1iaw h LEU 175 Cb 1.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1iaw h LEU 175 CO -0.13 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.38 1iaw n HIS 176 N -2.89 0.11 -3.01 1.25 8.25 0.50 -5.00 115.22 114.44 1iaw n HIS 176 Ca 0.02 -0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 56.90 1iaw n HIS 176 Cb 0.35 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 1iaw n HIS 176 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1iaw s ILE 177 N -0.73 4.83 0.12 1.59 -4.36 -1.07 -4.99 121.20 116.59 1iaw s ILE 177 Ca 0.08 0.54 -0.35 0.00 -0.26 0.00 0.00 60.65 60.66 1iaw s ILE 177 Cb 0.05 -3.71 -0.17 0.00 1.25 0.00 0.00 42.46 39.87 1iaw s ILE 177 CO 0.06 -0.42 1.11 -2.65 0.24 0.00 0.00 174.94 173.28 1iaw n PRO 178 N -1.07 0.78 -0.28 0.37 -0.02 -1.26 -4.74 135.00 128.77 1iaw n PRO 178 Ca 0.02 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1iaw n PRO 178 Cb 0.54 -1.75 0.24 0.00 -0.02 0.00 0.00 33.50 32.50 1iaw n PRO 178 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1iaw h GLY 179 N 3.28 1.26 1.10 -1.23 0.00 -1.96 -1.26 103.07 104.26 1iaw h GLY 179 Ca -0.44 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1iaw h GLY 179 CO 0.69 -0.24 0.12 1.29 0.00 0.00 0.00 176.54 178.40 1iaw h ASP 180 N 0.32 1.05 -0.61 0.19 2.03 -1.99 -0.50 116.42 116.91 1iaw h ASP 180 Ca 0.49 -0.24 -0.03 0.00 -0.73 0.00 0.00 57.03 56.51 1iaw h ASP 180 Cb 0.88 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 39.07 1iaw h ASP 180 CO -0.53 1.03 0.26 0.58 -1.03 0.00 0.00 179.24 179.55 1iaw h VAL 181 N 1.03 1.23 -0.59 4.15 2.07 -1.64 -1.58 116.25 120.92 1iaw h VAL 181 Ca 0.21 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1iaw h VAL 181 Cb 0.42 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1iaw h VAL 181 CO 0.01 0.27 0.17 -0.09 0.02 0.00 0.00 177.57 177.95 1iaw h ARG 182 N 0.85 0.92 -0.90 1.57 2.43 -0.95 -2.28 114.38 116.02 1iaw h ARG 182 Ca 0.21 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1iaw h ARG 182 Cb 0.18 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1iaw h ARG 182 CO -0.02 0.83 0.59 -0.44 -1.51 0.00 0.00 179.97 179.42 1iaw h ASP 183 N 0.83 0.98 0.10 -3.80 3.45 -0.77 -1.41 116.42 115.81 1iaw h ASP 183 Ca 0.19 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.58 1iaw h ASP 183 Cb 0.30 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1iaw h ASP 183 CO -0.00 0.68 -0.19 1.56 -1.57 0.00 0.00 179.24 179.72 1iaw h GLN 184 N 1.15 0.19 0.03 3.56 4.20 -0.93 -1.08 115.11 122.23 1iaw h GLN 184 Ca 0.35 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 1iaw h GLN 184 Cb -0.03 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1iaw h GLN 184 CO -0.11 0.38 -0.01 0.82 -0.67 0.00 0.00 178.83 179.24 1iaw h ILE 185 N 0.18 1.35 0.00 2.54 2.04 -0.73 -2.91 117.51 119.98 1iaw h ILE 185 Ca 0.03 -1.26 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 1iaw h ILE 185 Cb 0.44 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1iaw h ILE 185 CO 0.03 0.32 -0.50 -0.26 0.00 0.00 0.00 178.15 177.73 1iaw h PHE 186 N -0.60 0.00 0.00 1.37 -1.00 -1.21 -3.13 116.94 112.36 1iaw h PHE 186 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1iaw h PHE 186 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1iaw h PHE 186 CO 0.11 0.50 -0.43 0.66 -1.61 0.00 0.00 178.31 177.54 1iaw h SER 187 N 0.00 0.00 -1.54 2.17 4.64 -1.32 -3.46 113.55 114.04 1iaw h SER 187 Ca -0.01 -0.08 -0.70 0.00 -0.47 0.00 0.00 61.79 60.53 1iaw h SER 187 Cb 1.19 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.34 1iaw h SER 187 CO 0.07 0.04 0.30 0.00 -0.87 0.00 0.00 176.83 176.37 1iaw n ALA 188 N -1.94 -1.65 -2.45 5.18 0.00 -1.10 -4.95 120.51 113.61 1iaw n ALA 188 Ca 0.03 0.53 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 1iaw n ALA 188 Cb 0.48 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 1iaw n ALA 188 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iaw s LYS 189 N 0.19 1.60 0.55 0.00 -0.14 -1.26 -4.43 119.74 116.26 1iaw s LYS 189 Ca 0.84 -1.79 -0.05 0.00 -1.36 0.00 0.00 55.97 53.61 1iaw s LYS 189 Cb -1.01 -1.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 1iaw s LYS 189 CO 0.50 0.13 0.84 0.45 -0.76 0.00 0.00 175.35 176.52 1iaw s SER 190 N -3.47 5.73 -0.01 2.83 0.15 -1.26 -4.89 113.70 112.77 1iaw s SER 190 Ca 0.29 0.67 -0.10 0.00 0.70 0.00 0.00 55.95 57.51 1iaw s SER 190 Cb 0.01 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 1iaw s SER 190 CO 0.13 -0.93 0.66 0.28 1.20 0.00 0.00 173.24 174.57 1iaw h SER 191 N -0.02 -0.30 0.00 5.45 0.02 -2.01 -3.46 113.55 113.23 1iaw h SER 191 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1iaw h SER 191 Cb 1.25 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1iaw h SER 191 CO 0.60 -0.09 0.00 -1.14 -1.14 0.00 0.00 176.83 175.06 1iaw n ARG 192 N -3.62 1.89 0.00 3.45 0.00 -1.26 -5.05 116.66 112.06 1iaw n ARG 192 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1iaw n ARG 192 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.60 1iaw n ARG 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1iaw n GLY 193 N 5.00 0.07 0.00 5.14 0.00 -1.26 -4.86 105.19 109.28 1iaw n GLY 193 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1iaw n GLY 193 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iaw n ASN 194 N -1.63 0.19 -4.49 1.61 2.85 -1.26 -4.99 115.26 107.55 1iaw n ASN 194 Ca 0.00 -0.59 -0.34 0.00 -0.11 0.00 0.00 54.58 53.54 1iaw n ASN 194 Cb 0.00 0.19 -0.12 0.00 1.24 0.00 0.00 39.78 41.09 1iaw n ASN 194 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1iaw s GLN 195 N -0.19 3.66 -0.15 1.20 -0.21 -1.26 -5.01 119.66 117.69 1iaw s GLN 195 Ca 0.00 -0.51 0.18 0.00 0.02 0.00 0.00 55.36 55.05 1iaw s GLN 195 Cb 0.00 -2.98 0.38 0.00 1.00 0.00 0.00 33.01 31.41 1iaw s GLN 195 CO 0.00 0.17 1.25 0.72 -2.12 0.00 0.00 175.29 175.31 1iaw n HIS 196 N 3.76 0.34 0.07 0.91 8.25 -1.26 -4.70 115.22 122.59 1iaw n HIS 196 Ca -0.17 -0.98 -0.09 0.00 -0.26 0.00 0.00 57.72 56.22 1iaw n HIS 196 Cb 0.52 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 1iaw n HIS 196 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1iaw h GLY 197 N 0.65 -1.17 0.21 -1.41 0.00 -1.89 -1.55 103.07 97.91 1iaw h GLY 197 Ca 0.00 0.58 0.14 0.00 0.00 0.00 0.00 47.33 48.05 1iaw h GLY 197 CO 0.08 -0.36 0.41 -1.61 0.00 0.00 0.00 176.54 175.06 1iaw h GLN 198 N -0.41 0.56 -0.25 4.80 5.75 -1.87 -1.89 115.11 121.81 1iaw h GLN 198 Ca -0.01 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 1iaw h GLN 198 Cb 0.40 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 1iaw h GLN 198 CO -0.14 0.37 -0.09 0.00 -2.65 0.00 0.00 178.83 176.33 1iaw h ALA 199 N 1.55 0.13 -0.25 3.38 0.00 -1.80 -0.51 119.26 121.75 1iaw h ALA 199 Ca 0.45 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.40 1iaw h ALA 199 Cb 0.65 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1iaw h ALA 199 CO -0.37 -0.50 -0.10 0.00 0.00 0.00 0.00 179.25 178.28 1iaw h ARG 200 N -0.04 0.41 -0.23 0.00 3.08 -0.54 -2.29 114.38 114.77 1iaw h ARG 200 Ca 0.13 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1iaw h ARG 200 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1iaw h ARG 200 CO -0.28 0.52 -0.07 0.28 -1.07 0.00 0.00 179.97 179.35 1iaw h VAL 201 N 0.39 1.29 -0.69 2.04 2.07 -0.69 -1.03 116.25 119.62 1iaw h VAL 201 Ca 0.08 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.56 1iaw h VAL 201 Cb 0.42 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1iaw h VAL 201 CO 0.02 0.34 0.40 0.78 0.02 0.00 0.00 177.57 179.13 1iaw h ASN 202 N 0.19 0.61 -0.59 0.57 2.35 -0.87 -1.43 115.58 116.41 1iaw h ASN 202 Ca 0.06 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1iaw h ASN 202 Cb 0.55 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1iaw h ASN 202 CO 0.03 0.40 0.17 -0.08 -1.65 0.00 0.00 177.43 176.29 1iaw h GLU 203 N 0.74 0.92 -0.59 0.81 4.57 -1.29 -2.33 114.58 117.40 1iaw h GLU 203 Ca 0.30 -0.21 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 1iaw h GLU 203 Cb 0.16 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 28.54 1iaw h GLU 203 CO -0.17 0.83 0.16 1.25 -1.18 0.00 0.00 179.01 179.91 1iaw h LEU 204 N 0.83 0.08 0.00 1.64 5.85 -0.22 0.22 115.31 123.71 1iaw h LEU 204 Ca 0.19 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1iaw h LEU 204 Cb 0.31 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1iaw h LEU 204 CO -0.00 0.05 0.00 0.49 -0.34 0.00 0.00 178.44 178.64 1iaw n PHE 205 N -5.08 0.00 -0.03 1.25 0.99 -0.63 -2.09 117.46 111.86 1iaw n PHE 205 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.32 1iaw n PHE 205 Cb 0.30 -0.22 -0.13 0.00 -1.00 0.00 0.00 39.48 38.43 1iaw n PHE 205 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1iaw n ARG 206 N -1.22 0.69 0.05 -1.08 1.74 0.63 -4.48 116.66 112.99 1iaw n ARG 206 Ca 0.15 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.72 1iaw n ARG 206 Cb 0.19 -1.72 0.21 0.00 -1.02 0.00 0.00 32.46 30.12 1iaw n ARG 206 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1iaw n ARG 207 N -3.82 0.22 -3.99 5.56 5.12 -0.37 -4.75 116.66 114.64 1iaw n ARG 207 Ca -0.32 0.07 -0.31 0.00 -1.93 0.00 0.00 57.85 55.36 1iaw n ARG 207 Cb 0.92 -1.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.43 1iaw n ARG 207 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1iaw s VAL 208 N -3.12 2.02 0.25 1.55 1.01 -0.89 -5.10 120.40 116.11 1iaw s VAL 208 Ca 0.08 -1.98 0.10 0.00 0.00 0.00 0.00 61.98 60.18 1iaw s VAL 208 Cb 0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1iaw s VAL 208 CO 0.71 -0.44 -0.10 -1.00 0.00 0.00 0.00 175.10 174.27 1iaw s HIS 209 N 1.07 2.53 -1.61 5.22 3.76 -1.26 -4.60 115.29 120.41 1iaw s HIS 209 Ca 0.05 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1iaw s HIS 209 Cb -0.19 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.35 1iaw s HIS 209 CO -0.09 0.62 0.00 0.41 -0.85 0.00 0.00 174.74 174.83 1iaw n GLY 210 N -0.53 -0.33 2.94 -2.22 0.00 -0.14 -4.96 105.19 99.95 1iaw n GLY 210 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1iaw n GLY 210 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iaw s ARG 211 N -4.93 0.21 0.20 1.61 0.52 -1.26 -4.73 118.95 110.56 1iaw s ARG 211 Ca 0.00 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.56 1iaw s ARG 211 Cb 0.00 0.01 -0.08 0.00 0.52 0.00 0.00 34.95 35.40 1iaw s ARG 211 CO 0.00 -0.01 1.18 -0.51 0.02 0.00 0.00 175.30 175.98 1iaw s LEU 212 N -0.82 4.46 -0.15 2.53 1.43 -1.26 -4.43 118.68 120.45 1iaw s LEU 212 Ca -0.08 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1iaw s LEU 212 Cb -0.06 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.58 1iaw s LEU 212 CO -0.00 -0.34 -0.13 -0.63 0.23 0.00 0.00 176.35 175.48 1iaw s ILE 213 N -0.20 1.48 0.68 -0.59 1.01 -0.67 -4.95 121.20 117.97 1iaw s ILE 213 Ca 0.52 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1iaw s ILE 213 Cb -0.32 -1.41 0.11 0.00 0.01 0.00 0.00 42.46 40.85 1iaw s ILE 213 CO 0.37 0.42 0.94 -0.83 0.00 0.00 0.00 174.94 175.85 1iaw s GLY 214 N 1.52 1.76 0.17 6.18 0.00 -1.26 -1.55 107.32 114.14 1iaw s GLY 214 Ca 0.05 -1.77 -0.23 0.00 0.00 0.00 0.00 44.72 42.76 1iaw s GLY 214 CO -0.10 -1.24 1.59 3.21 0.00 0.00 0.00 173.10 176.55 1iaw h ARG 215 N -0.37 -0.23 -0.41 2.90 3.08 -1.80 -2.25 114.38 115.31 1iaw h ARG 215 Ca -0.36 0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.78 1iaw h ARG 215 Cb 1.27 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.28 1iaw h ARG 215 CO 0.41 -0.15 -0.40 0.00 -1.07 0.00 0.00 179.97 178.76 1iaw h ALA 216 N 0.74 -0.35 -0.60 0.04 0.00 -1.95 0.14 119.26 117.28 1iaw h ALA 216 Ca 0.18 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1iaw h ALA 216 Cb 0.56 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1iaw h ALA 216 CO -0.60 -0.82 0.40 0.28 0.00 0.00 0.00 179.25 178.50 1iaw h VAL 217 N -0.30 1.06 -0.02 0.00 2.07 -1.82 -1.01 116.25 116.23 1iaw h VAL 217 Ca 0.15 -0.23 -0.20 0.00 0.82 0.00 0.00 66.70 67.24 1iaw h VAL 217 Cb 0.57 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1iaw h VAL 217 CO -0.57 0.12 -0.83 0.40 0.02 0.00 0.00 177.57 176.71 1iaw h ILE 218 N 0.68 1.44 -0.17 4.57 2.04 -0.74 -2.92 117.51 122.40 1iaw h ILE 218 Ca 0.24 -2.41 -0.08 0.00 1.00 0.00 0.00 64.86 63.61 1iaw h ILE 218 Cb 0.12 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1iaw h ILE 218 CO -0.07 0.71 -0.21 0.00 0.00 0.00 0.00 178.15 178.59 1iaw h ALA 219 N 0.94 0.26 -0.94 1.87 0.00 -0.46 -0.72 119.26 120.21 1iaw h ALA 219 Ca -0.05 -0.36 0.16 0.00 0.00 0.00 0.00 54.91 54.67 1iaw h ALA 219 Cb 1.44 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 1iaw h ALA 219 CO 0.13 0.20 0.54 1.15 0.00 0.00 0.00 179.25 181.28 1iaw h THR 220 N 0.10 0.75 0.00 0.00 2.02 -1.22 0.61 112.91 115.17 1iaw h THR 220 Ca 0.02 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1iaw h THR 220 Cb 0.76 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1iaw h THR 220 CO 0.05 0.14 -0.35 0.58 0.37 0.00 0.00 175.52 176.31 1iaw h VAL 221 N 0.75 1.50 -0.38 3.16 2.07 -1.50 -3.38 116.25 118.46 1iaw h VAL 221 Ca 0.52 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 1iaw h VAL 221 Cb 0.73 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1iaw h VAL 221 CO -0.35 0.51 0.23 0.00 0.02 0.00 0.00 177.57 177.97 1iaw h ALA 222 N -0.17 0.49 -5.90 1.67 0.00 -0.90 -3.45 119.26 111.01 1iaw h ALA 222 Ca -0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1iaw h ALA 222 Cb 1.05 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1iaw h ALA 222 CO -0.06 -0.01 -0.45 0.94 0.00 0.00 0.00 179.25 179.68 1iaw n GLN 223 N -4.77 -1.41 -3.81 0.00 7.27 0.21 -4.46 117.38 110.41 1iaw n GLN 223 Ca 0.00 1.17 0.02 0.00 0.07 0.00 0.00 57.00 58.26 1iaw n GLN 223 Cb 0.06 -4.47 0.00 0.00 2.41 0.00 0.00 30.24 28.24 1iaw n GLN 223 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1iaw s GLN 224 N -3.86 0.48 0.27 3.69 -2.07 -1.24 -4.95 119.66 111.99 1iaw s GLN 224 Ca 0.03 -0.29 -0.29 0.00 -1.82 0.00 0.00 55.36 52.99 1iaw s GLN 224 Cb -0.01 0.15 -0.10 0.00 -1.09 0.00 0.00 33.01 31.96 1iaw s GLN 224 CO 0.81 -0.22 1.25 -0.51 -1.32 0.00 0.00 175.29 175.29 1iaw s ASP 225 N -3.38 6.95 -1.17 12.60 1.01 -1.26 -3.46 116.67 127.96 1iaw s ASP 225 Ca 0.21 2.47 -0.01 0.00 0.71 0.00 0.00 52.55 55.93 1iaw s ASP 225 Cb 0.02 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1iaw s ASP 225 CO -0.02 -0.42 0.97 -0.67 0.21 0.00 0.00 175.17 175.24 1iaw n ASP 226 N 1.54 -2.92 0.18 0.27 -0.08 -1.26 -4.92 116.55 109.37 1iaw n ASP 226 Ca 0.02 -0.65 0.07 0.00 -1.51 0.00 0.00 54.79 52.71 1iaw n ASP 226 Cb 0.43 -5.09 0.56 0.00 2.34 0.00 0.00 41.12 39.36 1iaw n ASP 226 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1iaw h PHE 227 N -1.74 0.15 0.00 -0.67 -5.15 -1.93 -2.75 116.94 104.85 1iaw h PHE 227 Ca -0.60 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.18 1iaw h PHE 227 Cb 1.34 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 37.46 1iaw h PHE 227 CO 0.41 0.11 0.00 0.52 -2.00 0.00 0.00 178.31 177.36 1iaw h MET 228 N 0.16 0.00 -0.01 6.09 2.86 -1.91 -2.78 114.93 119.33 1iaw h MET 228 Ca 0.04 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1iaw h MET 228 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1iaw h MET 228 CO -0.01 0.00 -0.81 -0.22 1.06 0.00 0.00 176.91 176.93 1iaw h LYS 229 N 0.00 0.20 0.00 1.72 3.11 -1.87 -3.17 116.57 116.56 1iaw h LYS 229 Ca 0.00 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 1iaw h LYS 229 Cb 0.22 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.50 1iaw h LYS 229 CO 0.00 0.91 0.02 0.54 -2.81 0.00 0.00 179.45 178.10 1iaw n ARG 230 N -3.71 0.00 -0.04 1.90 5.12 -1.05 -0.67 116.66 118.22 1iaw n ARG 230 Ca -0.03 0.19 0.04 0.00 -1.93 0.00 0.00 57.85 56.12 1iaw n ARG 230 Cb 0.76 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 30.39 1iaw n ARG 230 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1iaw n VAL 231 N -1.17 0.42 -2.23 1.55 0.31 -1.20 -0.75 118.33 115.27 1iaw n VAL 231 Ca 0.00 -0.58 -0.13 0.00 -0.01 0.00 0.00 64.34 63.62 1iaw n VAL 231 Cb 0.02 -0.14 0.07 0.00 -0.91 0.00 0.00 33.84 32.88 1iaw n VAL 231 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1iaw n ARG 232 N -2.37 0.03 0.00 5.55 1.74 0.16 -1.80 116.66 119.96 1iaw n ARG 232 Ca -0.13 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.59 1iaw n ARG 232 Cb 0.72 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 1iaw n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iaw n GLY 233 N 0.83 -1.95 0.00 -0.13 0.00 -1.26 -2.82 105.19 99.86 1iaw n GLY 233 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1iaw n GLY 233 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iaw n SER 234 N -0.73 0.00 -3.37 1.61 7.64 -1.26 -3.64 113.62 113.87 1iaw n SER 234 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1iaw n SER 234 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1iaw n SER 234 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iaw n GLY 235 N 0.79 2.45 3.51 0.23 0.00 -1.26 -4.59 105.19 106.33 1iaw n GLY 235 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1iaw n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iaw s GLY 236 N 4.63 0.06 0.45 -0.02 0.00 -1.13 -4.61 107.32 106.70 1iaw s GLY 236 Ca 0.45 -0.39 0.28 0.00 0.00 0.00 0.00 44.72 45.05 1iaw s GLY 236 CO 0.07 -0.38 1.74 0.00 0.00 0.00 0.00 173.10 174.53 1iaw h ALA 237 N 2.25 2.67 -0.92 3.20 0.00 -1.04 -2.24 119.26 123.18 1iaw h ALA 237 Ca -0.28 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1iaw h ALA 237 Cb 1.25 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1iaw h ALA 237 CO 0.38 -1.11 0.60 -0.09 0.00 0.00 0.00 179.25 179.03 1iaw h ARG 238 N 0.20 1.02 0.02 0.00 2.43 -1.37 -1.12 114.38 115.56 1iaw h ARG 238 Ca 0.65 -0.06 -0.39 0.00 -0.81 0.00 0.00 59.98 59.37 1iaw h ARG 238 Cb 2.06 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 31.32 1iaw h ARG 238 CO -0.23 0.68 -2.37 -1.13 -1.51 0.00 0.00 179.97 175.41 1iaw n SER 239 N -4.49 2.00 -0.34 -3.80 3.41 -0.89 -3.88 113.62 105.63 1iaw n SER 239 Ca 0.14 -0.01 0.04 0.00 -0.26 0.00 0.00 58.87 58.78 1iaw n SER 239 Cb 0.19 -0.55 0.21 0.00 -0.26 0.00 0.00 64.21 63.80 1iaw n SER 239 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1iaw h ILE 240 N -0.12 1.06 -0.12 -1.33 2.04 -1.47 -0.89 117.51 116.68 1iaw h ILE 240 Ca -0.56 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1iaw h ILE 240 Cb 1.88 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1iaw h ILE 240 CO -0.10 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1iaw n LEU 241 N -4.51 1.21 0.47 1.44 4.77 -0.43 -4.35 117.00 115.60 1iaw n LEU 241 Ca 0.15 -0.50 -0.20 0.00 -0.03 0.00 0.00 56.01 55.43 1iaw n LEU 241 Cb 0.22 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1iaw n LEU 241 CO 0.32 0.25 0.58 -0.09 -1.33 0.00 0.00 177.39 177.12 1iaw h ARG 242 N 1.61 -1.14 0.00 3.23 2.43 -1.27 -2.59 114.38 116.65 1iaw h ARG 242 Ca 0.00 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1iaw h ARG 242 Cb 0.35 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1iaw h ARG 242 CO 0.00 -0.76 0.05 -0.35 -1.51 0.00 0.00 179.97 177.40 1iaw n PRO 243 N -5.60 0.00 -0.04 0.20 -0.04 -1.26 -0.14 135.00 128.12 1iaw n PRO 243 Ca -0.16 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1iaw n PRO 243 Cb 0.47 -1.55 0.23 0.00 -0.04 0.00 0.00 33.50 32.61 1iaw n PRO 243 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iaw n GLU 244 N -1.21 2.19 -0.78 0.54 1.02 -0.99 -4.53 120.64 116.88 1iaw n GLU 244 Ca 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1iaw n GLU 244 Cb 0.05 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1iaw n GLU 244 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iaw n GLY 245 N 1.33 0.58 3.76 0.62 0.00 0.79 -4.80 105.19 107.47 1iaw n GLY 245 Ca 0.16 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1iaw n GLY 245 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iaw s ILE 246 N -2.00 4.79 0.06 -0.61 1.01 -1.15 0.47 121.20 123.76 1iaw s ILE 246 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.65 1iaw s ILE 246 Cb 0.00 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1iaw s ILE 246 CO 0.00 0.60 -0.21 0.27 0.00 0.00 0.00 174.94 175.60 1iaw s ILE 247 N -0.95 1.73 -0.28 2.92 -4.36 -0.20 -4.29 121.20 115.77 1iaw s ILE 247 Ca 0.14 -1.29 0.02 0.00 -0.26 0.00 0.00 60.65 59.26 1iaw s ILE 247 Cb -0.12 -1.51 0.06 0.00 1.25 0.00 0.00 42.46 42.14 1iaw s ILE 247 CO 0.03 0.17 -0.06 -0.63 0.24 0.00 0.00 174.94 174.69 1iaw s ILE 248 N -0.87 2.43 -0.25 8.37 1.01 -1.26 -2.58 121.20 128.05 1iaw s ILE 248 Ca 0.08 -1.63 -0.17 0.00 0.00 0.00 0.00 60.65 58.93 1iaw s ILE 248 Cb -0.09 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1iaw s ILE 248 CO 0.02 -0.11 0.45 -0.76 0.00 0.00 0.00 174.94 174.54 1iaw s LEU 249 N 1.13 4.08 0.00 2.97 1.43 0.55 -4.90 118.68 123.93 1iaw s LEU 249 Ca -0.06 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1iaw s LEU 249 Cb -0.20 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1iaw s LEU 249 CO -0.04 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1iaw n GLY 250 N 4.35 0.81 0.00 -3.19 0.00 -1.26 -0.99 105.19 104.90 1iaw n GLY 250 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1iaw n GLY 250 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iaw n HIS 251 N 0.00 0.00 -3.91 1.61 1.44 -1.26 -4.38 115.22 108.73 1iaw n HIS 251 Ca 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 1iaw n HIS 251 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1iaw n HIS 251 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iaw n GLN 252 N -1.44 1.55 0.00 -1.40 10.64 -1.26 -4.56 117.38 120.92 1iaw n GLN 252 Ca 0.00 -0.76 0.00 0.00 -1.83 0.00 0.00 57.00 54.41 1iaw n GLN 252 Cb 0.00 0.15 0.00 0.00 -0.86 0.00 0.00 30.24 29.53 1iaw n GLN 252 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1iaw n ASP 253 N -1.46 0.00 0.09 2.61 10.43 -1.26 -2.59 116.55 124.36 1iaw n ASP 253 Ca -0.03 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.44 1iaw n ASP 253 Cb 0.14 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.07 1iaw n ASP 253 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1iaw n ASN 254 N 3.88 0.76 -0.38 -2.24 3.02 -1.26 -4.49 115.26 114.55 1iaw n ASN 254 Ca 0.00 0.30 -0.04 0.00 -0.03 0.00 0.00 54.58 54.81 1iaw n ASN 254 Cb 0.00 0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1iaw n ASN 254 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1iaw h ASP 255 N 0.00 -1.62 -0.63 6.41 5.19 -1.81 -1.18 116.42 122.78 1iaw h ASP 255 Ca -0.02 0.31 0.11 0.00 -0.62 0.00 0.00 57.03 56.82 1iaw h ASP 255 Cb 1.05 0.80 -0.09 0.00 0.18 0.00 0.00 39.33 41.28 1iaw h ASP 255 CO 0.00 -0.28 0.17 1.55 -3.12 0.00 0.00 179.24 177.57 1iaw h PRO 256 N -0.02 0.30 0.42 3.56 0.13 -1.79 -0.85 132.00 133.76 1iaw h PRO 256 Ca 0.29 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.38 1iaw h PRO 256 Cb 0.55 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1iaw h PRO 256 CO -0.95 0.20 -0.20 -0.22 -0.23 0.00 0.00 178.00 176.59 1iaw h LYS 257 N 0.31 -0.55 -0.90 0.86 3.64 -1.60 -2.17 116.57 116.17 1iaw h LYS 257 Ca 0.33 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 60.00 1iaw h LYS 257 Cb 0.48 0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 32.27 1iaw h LYS 257 CO -0.39 -0.25 0.17 0.28 -2.27 0.00 0.00 179.45 177.00 1iaw h VAL 258 N -0.99 0.21 -0.29 2.00 2.07 -1.08 1.32 116.25 119.49 1iaw h VAL 258 Ca -0.06 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1iaw h VAL 258 Cb 0.56 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1iaw h VAL 258 CO 0.10 0.02 -0.14 0.00 0.02 0.00 0.00 177.57 177.57 1iaw h ALA 259 N 1.85 1.22 0.18 1.67 0.00 -1.14 -2.62 119.26 120.42 1iaw h ALA 259 Ca 0.57 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1iaw h ALA 259 Cb 1.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1iaw h ALA 259 CO -0.74 0.51 -0.09 -0.97 0.00 0.00 0.00 179.25 177.96 1iaw h ASN 260 N 0.47 -0.21 -0.36 0.00 -1.24 0.23 0.11 115.58 114.57 1iaw h ASN 260 Ca 0.08 -0.30 0.10 0.00 0.71 0.00 0.00 56.30 56.90 1iaw h ASN 260 Cb 0.52 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1iaw h ASN 260 CO 0.03 0.23 0.27 0.44 -1.29 0.00 0.00 177.43 177.11 1iaw h ASP 261 N -0.70 0.00 0.00 1.15 3.45 -0.74 0.44 116.42 120.03 1iaw h ASP 261 Ca -0.03 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1iaw h ASP 261 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1iaw h ASP 261 CO 0.04 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.89 1iaw n LEU 262 N -4.36 0.00 -1.34 1.55 4.77 -0.99 -3.20 117.00 113.43 1iaw n LEU 262 Ca 0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1iaw n LEU 262 Cb 0.45 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1iaw n LEU 262 CO 0.35 -0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 176.97 1iaw n GLY 263 N 0.80 0.07 3.80 -0.72 0.00 0.16 -4.78 105.19 104.51 1iaw n GLY 263 Ca 0.22 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1iaw n GLY 263 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iaw s LEU 264 N -3.08 3.40 0.27 0.99 1.43 0.39 -5.03 118.68 117.04 1iaw s LEU 264 Ca 0.08 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 1iaw s LEU 264 Cb -0.04 -1.95 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 1iaw s LEU 264 CO 0.10 -0.38 1.29 -2.84 0.23 0.00 0.00 176.35 174.75 1iaw s PRO 265 N -3.94 4.40 -0.29 1.29 0.02 -1.26 -4.28 135.00 130.93 1iaw s PRO 265 Ca 0.40 2.10 -0.16 0.00 0.02 0.00 0.00 61.00 63.36 1iaw s PRO 265 Cb -0.03 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1iaw s PRO 265 CO 0.25 -0.17 0.43 0.08 -0.33 0.00 0.00 177.00 177.25 1iaw s VAL 266 N -0.57 5.12 0.25 3.83 1.01 -1.26 -4.85 120.40 123.93 1iaw s VAL 266 Ca 0.52 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 1iaw s VAL 266 Cb -0.37 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1iaw s VAL 266 CO 0.45 0.04 0.79 -2.16 0.00 0.00 0.00 175.10 174.21 1iaw s PRO 267 N 2.17 4.36 0.74 2.72 0.04 -1.26 -5.09 135.00 138.68 1iaw s PRO 267 Ca 0.16 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.13 1iaw s PRO 267 Cb -0.16 -2.86 0.07 0.00 0.04 0.00 0.00 34.50 31.59 1iaw s PRO 267 CO 0.11 0.36 1.07 1.03 0.04 0.00 0.00 177.00 179.61 1iaw s ARG 268 N -1.99 2.11 0.29 4.56 0.52 -1.26 -4.40 118.95 118.77 1iaw s ARG 268 Ca 0.45 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 55.24 1iaw s ARG 268 Cb -0.17 -2.09 -0.12 0.00 0.52 0.00 0.00 34.95 33.08 1iaw s ARG 268 CO 0.22 -1.37 1.46 1.17 0.02 0.00 0.00 175.30 176.79 1iaw n LYS 269 N -3.07 2.33 0.00 3.54 4.81 -1.26 -1.19 118.16 123.32 1iaw n LYS 269 Ca 0.08 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1iaw n LYS 269 Cb 0.61 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1iaw n LYS 269 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iaw n GLY 270 N 1.75 2.63 3.62 3.14 0.00 -1.26 -5.03 105.19 110.04 1iaw n GLY 270 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1iaw n GLY 270 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iaw s GLN 271 N -0.77 2.21 0.05 1.61 -0.21 -0.34 -1.95 119.66 120.26 1iaw s GLN 271 Ca 0.00 -1.35 -0.06 0.00 0.02 0.00 0.00 55.36 53.97 1iaw s GLN 271 Cb 0.00 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.83 1iaw s GLN 271 CO 0.00 0.39 0.12 0.14 -2.12 0.00 0.00 175.29 173.82 1iaw s VAL 272 N -2.08 0.14 -0.03 1.09 -7.23 -0.60 -4.36 120.40 107.32 1iaw s VAL 272 Ca 0.29 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.39 1iaw s VAL 272 Cb -0.07 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1iaw s VAL 272 CO 0.18 -0.62 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.48 1iaw s VAL 273 N -2.85 1.51 0.13 1.32 1.01 -0.16 -1.66 120.40 119.69 1iaw s VAL 273 Ca -0.03 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1iaw s VAL 273 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1iaw s VAL 273 CO -0.06 0.43 -0.20 0.00 0.00 0.00 0.00 175.10 175.27 1iaw s ALA 274 N -0.20 1.91 -0.13 5.51 0.00 -1.26 -0.33 121.76 127.26 1iaw s ALA 274 Ca 0.01 -1.35 -0.31 0.00 0.00 0.00 0.00 51.96 50.32 1iaw s ALA 274 Cb -0.10 -0.23 0.13 0.00 0.00 0.00 0.00 23.12 22.92 1iaw s ALA 274 CO 0.01 0.33 1.03 0.00 0.00 0.00 0.00 175.76 177.13 1iaw s ALA 275 N -1.47 -1.94 -0.16 0.00 0.00 -1.06 -0.96 121.76 116.16 1iaw s ALA 275 Ca 0.10 1.46 -0.10 0.00 0.00 0.00 0.00 51.96 53.42 1iaw s ALA 275 Cb -0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1iaw s ALA 275 CO 0.05 -0.46 0.18 0.50 0.00 0.00 0.00 175.76 176.04 1iaw s ARG 276 N -1.88 4.01 0.23 0.00 3.52 -1.26 -1.04 118.95 122.54 1iaw s ARG 276 Ca 0.03 -0.10 0.11 0.00 -0.13 0.00 0.00 55.73 55.64 1iaw s ARG 276 Cb -0.01 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 1iaw s ARG 276 CO -0.03 0.42 -0.20 0.14 -0.81 0.00 0.00 175.30 174.83 1iaw s VAL 277 N -0.03 2.21 0.04 7.11 -7.23 0.18 -1.02 120.40 121.65 1iaw s VAL 277 Ca 0.12 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 1iaw s VAL 277 Cb -0.12 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1iaw s VAL 277 CO 0.02 -0.35 -0.07 0.68 -0.31 0.00 0.00 175.10 175.07 1iaw s VAL 278 N -2.32 0.44 0.21 1.32 -7.23 -1.02 -4.61 120.40 107.19 1iaw s VAL 278 Ca 0.24 -1.02 -0.32 0.00 -1.81 0.00 0.00 61.98 59.07 1iaw s VAL 278 Cb -0.05 -0.52 -0.13 0.00 0.56 0.00 0.00 36.38 36.24 1iaw s VAL 278 CO 0.11 -0.40 1.64 -2.65 -0.31 0.00 0.00 175.10 173.50 1iaw n PRO 279 N 1.53 2.55 -2.17 4.82 -0.02 -1.26 -2.36 135.00 138.09 1iaw n PRO 279 Ca -0.23 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1iaw n PRO 279 Cb 0.55 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1iaw n PRO 279 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iaw s ALA 280 N 0.83 3.60 0.92 3.55 0.00 -0.78 -4.84 121.76 125.05 1iaw s ALA 280 Ca 0.74 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.54 1iaw s ALA 280 Cb -0.56 -3.61 0.15 0.00 0.00 0.00 0.00 23.12 19.09 1iaw s ALA 280 CO 0.37 -0.94 1.13 -0.51 0.00 0.00 0.00 175.76 175.81 1iaw s ASP 281 N 1.96 2.93 -0.24 0.00 1.01 -1.26 -4.81 116.67 116.26 1iaw s ASP 281 Ca 0.66 2.10 -0.38 0.00 0.71 0.00 0.00 52.55 55.63 1iaw s ASP 281 Cb -0.33 -2.54 -0.14 0.00 1.01 0.00 0.00 42.92 40.92 1iaw s ASP 281 CO 0.28 -3.08 1.84 1.21 0.21 0.00 0.00 175.17 175.63 1iaw n GLU 282 N -4.21 1.40 0.00 8.23 2.13 -1.26 -2.69 120.64 124.25 1iaw n GLU 282 Ca 0.11 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1iaw n GLU 282 Cb 0.52 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1iaw n GLU 282 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iaw n GLY 283 N 4.57 2.19 2.40 8.31 0.00 -1.26 -4.95 105.19 116.45 1iaw n GLY 283 Ca 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1iaw n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1iaw n ASP 284 N 4.49 -4.35 -1.84 1.61 -0.08 -1.09 -4.70 116.55 110.59 1iaw n ASP 284 Ca 0.00 1.32 -0.03 0.00 -1.51 0.00 0.00 54.79 54.56 1iaw n ASP 284 Cb 0.00 -3.21 -0.05 0.00 2.34 0.00 0.00 41.12 40.20 1iaw n ASP 284 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1iaw n GLN 285 N 2.02 0.97 -4.14 -0.67 6.02 -1.26 -4.78 117.38 115.53 1iaw n GLN 285 Ca -0.07 -0.27 -0.17 0.00 -0.01 0.00 0.00 57.00 56.49 1iaw n GLN 285 Cb 0.10 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 29.83 1iaw n GLN 285 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1iaw s ARG 286 N 0.98 0.74 0.20 -1.09 0.52 -1.26 -5.11 118.95 113.92 1iaw s ARG 286 Ca 0.18 -0.91 -0.32 0.00 -0.52 0.00 0.00 55.73 54.15 1iaw s ARG 286 Cb 0.09 -0.66 -0.13 0.00 0.52 0.00 0.00 34.95 34.77 1iaw s ARG 286 CO 0.00 0.14 1.66 1.04 0.02 0.00 0.00 175.30 178.16 1iaw n GLN 287 N 1.29 2.54 -4.32 3.54 6.02 -1.26 -4.98 117.38 120.21 1iaw n GLN 287 Ca -0.21 0.92 -0.20 0.00 -0.01 0.00 0.00 57.00 57.50 1iaw n GLN 287 Cb 0.54 -2.73 -0.11 0.00 1.02 0.00 0.00 30.24 28.97 1iaw n GLN 287 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1iaw s THR 288 N 0.96 1.69 -0.04 5.09 -4.23 -1.19 -4.42 115.64 113.49 1iaw s THR 288 Ca 0.75 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1iaw s THR 288 Cb -0.57 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1iaw s THR 288 CO 0.36 -0.45 0.09 0.00 -0.54 0.00 0.00 174.62 174.08 1iaw s ALA 289 N -2.43 -0.10 0.41 3.99 0.00 -0.27 -4.47 121.76 118.89 1iaw s ALA 289 Ca 0.17 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 1iaw s ALA 289 Cb -0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 1iaw s ALA 289 CO 0.06 -0.12 1.04 -2.00 0.00 0.00 0.00 175.76 174.74 1iaw s GLU 290 N 0.98 4.14 0.00 0.00 2.12 -1.26 -0.83 118.70 123.84 1iaw s GLU 290 Ca -0.08 1.47 0.00 0.00 0.36 0.00 0.00 54.97 56.72 1iaw s GLU 290 Cb -0.11 -2.48 0.00 0.00 0.26 0.00 0.00 34.13 31.81 1iaw s GLU 290 CO -0.04 -0.16 0.00 -0.89 -0.54 0.00 0.00 175.26 173.63 1iaw n ILE 291 N -0.19 0.00 0.00 -3.70 5.41 -1.13 -4.92 119.36 114.83 1iaw n ILE 291 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1iaw n ILE 291 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 1iaw n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iaw n GLN 292 N 0.00 0.00 0.00 0.38 1.13 -1.26 -4.83 117.38 112.80 1iaw n GLN 292 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1iaw n GLN 292 Cb 0.00 -0.59 0.00 0.00 0.11 0.00 0.00 30.24 29.76 1iaw n GLN 292 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iaw n GLY 293 N -0.03 0.00 3.93 1.08 0.00 -1.26 -5.08 105.19 103.83 1iaw n GLY 293 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1iaw n GLY 293 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iaw s ARG 294 N -1.88 3.17 0.28 1.61 1.70 -1.26 -5.07 118.95 117.51 1iaw s ARG 294 Ca 0.00 -0.94 -0.22 0.00 -0.47 0.00 0.00 55.73 54.09 1iaw s ARG 294 Cb 0.00 -2.76 -0.09 0.00 -0.57 0.00 0.00 34.95 31.53 1iaw s ARG 294 CO 0.00 0.29 0.83 1.03 -1.08 0.00 0.00 175.30 176.37 1iaw s ARG 295 N -4.00 4.39 0.36 3.89 0.52 -1.26 -2.82 118.95 120.02 1iaw s ARG 295 Ca 0.37 1.08 0.07 0.00 -0.52 0.00 0.00 55.73 56.73 1iaw s ARG 295 Cb -0.09 -2.81 -0.07 0.00 0.52 0.00 0.00 34.95 32.50 1iaw s ARG 295 CO 0.28 0.33 -0.02 -1.58 0.02 0.00 0.00 175.30 174.33 1iaw s TRP 296 N -1.59 2.29 0.24 -0.53 0.52 -0.01 -1.86 118.94 117.99 1iaw s TRP 296 Ca 0.47 -0.69 -0.05 0.00 0.02 0.00 0.00 56.10 55.85 1iaw s TRP 296 Cb -0.17 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 1iaw s TRP 296 CO 0.22 0.36 0.30 0.00 0.02 0.00 0.00 176.95 177.86 1iaw s ALA 297 N -2.86 0.66 -0.16 0.98 0.00 -1.00 -1.11 121.76 118.28 1iaw s ALA 297 Ca 0.34 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.62 1iaw s ALA 297 Cb 0.07 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.43 1iaw s ALA 297 CO 0.16 -0.71 0.89 0.08 0.00 0.00 0.00 175.76 176.18 1iaw s VAL 298 N -3.94 4.84 1.04 0.00 1.01 -1.26 -2.44 120.40 119.65 1iaw s VAL 298 Ca 0.32 1.77 -0.14 0.00 0.00 0.00 0.00 61.98 63.94 1iaw s VAL 298 Cb 0.03 -4.20 0.13 0.00 0.00 0.00 0.00 36.38 32.35 1iaw s VAL 298 CO 0.13 0.00 0.57 0.00 0.00 0.00 0.00 175.10 175.80 1iaw n ALA 299 N 5.27 -2.75 -2.54 5.51 0.00 -0.19 -4.87 120.51 120.94 1iaw n ALA 299 Ca 0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 53.44 52.36 1iaw n ALA 299 Cb 0.48 -1.84 -0.15 0.00 0.00 0.00 0.00 19.45 17.94 1iaw n ALA 299 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iaw s VAL 300 N -2.40 1.23 0.13 0.00 1.01 -1.26 -4.99 120.40 114.12 1iaw s VAL 300 Ca 0.61 -0.71 -0.35 0.00 0.00 0.00 0.00 61.98 61.53 1iaw s VAL 300 Cb -0.20 -1.03 -0.16 0.00 0.00 0.00 0.00 36.38 34.99 1iaw s VAL 300 CO 0.65 0.31 1.36 -0.81 0.00 0.00 0.00 175.10 176.61 1iaw n PRO 301 N 2.60 1.46 0.00 2.72 -0.04 -1.26 -1.41 135.00 139.07 1iaw n PRO 301 Ca -0.15 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1iaw n PRO 301 Cb 0.55 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1iaw n PRO 301 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1iaw n GLY 302 N 2.58 2.57 3.77 0.55 0.00 -1.26 -5.08 105.19 108.32 1iaw n GLY 302 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1iaw n GLY 302 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iaw s ASP 303 N -1.49 6.50 0.09 1.61 -0.00 -0.50 -4.97 116.67 117.92 1iaw s ASP 303 Ca 0.00 2.21 -0.31 0.00 -0.00 0.00 0.00 52.55 54.45 1iaw s ASP 303 Cb 0.00 -2.60 -0.09 0.00 -0.00 0.00 0.00 42.92 40.23 1iaw s ASP 303 CO 0.00 -0.68 1.64 -2.16 -0.00 0.00 0.00 175.17 173.97 1iaw s PRO 304 N -2.50 4.20 -0.52 8.23 0.04 -1.26 -4.90 135.00 138.29 1iaw s PRO 304 Ca 0.59 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.71 1iaw s PRO 304 Cb -0.27 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 1iaw s PRO 304 CO 0.33 -0.71 2.00 0.42 0.04 0.00 0.00 177.00 179.08 1iaw s ILE 305 N 2.28 3.28 -0.06 0.56 1.01 -1.26 -4.93 121.20 122.07 1iaw s ILE 305 Ca 0.73 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.50 1iaw s ILE 305 Cb -0.41 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1iaw s ILE 305 CO 0.32 -0.57 0.22 -0.69 0.00 0.00 0.00 174.94 174.22 1iaw s VAL 306 N 9.48 5.37 0.19 2.92 1.01 -1.26 -4.90 120.40 133.22 1iaw s VAL 306 Ca 0.78 0.27 -0.32 0.00 0.00 0.00 0.00 61.98 62.71 1iaw s VAL 306 Cb -0.16 -3.50 -0.11 0.00 0.00 0.00 0.00 36.38 32.60 1iaw s VAL 306 CO 0.25 0.53 1.69 -0.70 0.00 0.00 0.00 175.10 176.87 1iaw s GLU 307 N -1.29 4.15 0.76 2.72 2.12 -1.26 -3.19 118.70 122.72 1iaw s GLU 307 Ca 0.20 2.54 -0.11 0.00 0.36 0.00 0.00 54.97 57.96 1iaw s GLU 307 Cb -0.13 -3.15 0.05 0.00 0.26 0.00 0.00 34.13 31.16 1iaw s GLU 307 CO 0.10 -0.72 1.09 0.00 -0.54 0.00 0.00 175.26 175.19 1iaw s ALA 308 N 1.34 2.26 0.94 6.30 0.00 -0.92 -4.89 121.76 126.79 1iaw s ALA 308 Ca 0.74 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 1iaw s ALA 308 Cb -0.48 -3.28 0.17 0.00 0.00 0.00 0.00 23.12 19.53 1iaw s ALA 308 CO 0.32 -1.74 1.21 -2.14 0.00 0.00 0.00 175.76 173.42 1iaw s PRO 309 N -4.83 0.84 -0.45 0.00 0.02 -1.26 -4.92 135.00 124.40 1iaw s PRO 309 Ca 0.62 -0.06 0.02 0.00 0.02 0.00 0.00 61.00 61.60 1iaw s PRO 309 Cb -0.17 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.63 1iaw s PRO 309 CO 0.55 -2.34 0.20 0.08 -0.33 0.00 0.00 177.00 175.16 1iaw s VAL 310 N -3.54 2.76 -0.30 3.83 1.01 -1.26 -4.95 120.40 117.95 1iaw s VAL 310 Ca 0.68 -2.71 -0.41 0.00 0.00 0.00 0.00 61.98 59.54 1iaw s VAL 310 Cb -0.09 -2.93 -0.16 0.00 0.00 0.00 0.00 36.38 33.20 1iaw s VAL 310 CO 0.53 -0.72 1.75 0.55 0.00 0.00 0.00 175.10 177.21 1iaw n VAL 311 N 3.82 0.29 -0.48 2.92 3.14 -1.26 -4.87 118.33 121.89 1iaw n VAL 311 Ca 0.04 -0.06 -0.29 0.00 -2.96 0.00 0.00 64.34 61.08 1iaw n VAL 311 Cb 0.38 -1.19 0.24 0.00 -1.06 0.00 0.00 33.84 32.20 1iaw n VAL 311 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1iaw n PRO 312 N 5.40 -2.80 -0.04 1.45 -0.04 -1.26 -4.97 135.00 132.74 1iaw n PRO 312 Ca 0.27 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1iaw n PRO 312 Cb 0.12 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1iaw n PRO 312 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33