#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og0 s ALA 19 N 0.00 3.63 -0.35 4.61 0.00 -1.26 -5.06 121.76 123.32 1og0 s ALA 19 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 1og0 s ALA 19 Cb 0.00 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1og0 s ALA 19 CO 0.00 0.20 0.55 -2.00 0.00 0.00 0.00 175.76 174.51 1og0 s GLU 20 N 0.06 3.63 0.22 0.00 2.12 -1.26 -5.04 118.70 118.44 1og0 s GLU 20 Ca 0.19 -0.11 -0.08 0.00 0.36 0.00 0.00 54.97 55.33 1og0 s GLU 20 Cb -0.14 -3.81 -0.02 0.00 0.26 0.00 0.00 34.13 30.42 1og0 s GLU 20 CO 0.06 -0.67 0.32 -1.21 -0.54 0.00 0.00 175.26 173.23 1og0 s GLU 21 N 2.47 1.38 -0.51 4.30 2.02 -1.26 -4.93 118.70 122.18 1og0 s GLU 21 Ca 0.20 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1og0 s GLU 21 Cb -0.15 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1og0 s GLU 21 CO 0.14 -0.53 0.00 -0.25 0.02 0.00 0.00 175.26 174.64 1og0 n ASP 22 N -0.33 -1.61 0.30 -0.19 8.00 -1.26 -4.78 116.55 116.69 1og0 n ASP 22 Ca -0.00 0.20 0.17 0.00 0.71 0.00 0.00 54.79 55.87 1og0 n ASP 22 Cb 0.64 -1.68 0.96 0.00 -0.02 0.00 0.00 41.12 41.01 1og0 n ASP 22 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1og0 h VAL 23 N 0.00 0.37 -0.37 2.53 -1.51 -2.01 -0.28 116.25 114.97 1og0 h VAL 23 Ca -0.11 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.24 1og0 h VAL 23 Cb 0.57 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1og0 h VAL 23 CO 0.15 0.02 0.00 0.54 -1.23 0.00 0.00 177.57 177.05 1og0 n ARG 24 N -3.56 2.94 -3.56 5.19 1.74 -1.26 -4.87 116.66 113.28 1og0 n ARG 24 Ca -0.03 -2.31 -0.41 0.00 -0.77 0.00 0.00 57.85 54.34 1og0 n ARG 24 Cb 0.12 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 1og0 n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1og0 s ILE 25 N -1.43 4.46 0.31 0.55 -1.09 -0.12 -4.95 121.20 118.93 1og0 s ILE 25 Ca 0.31 -1.31 0.37 0.00 -2.23 0.00 0.00 60.65 57.79 1og0 s ILE 25 Cb 0.19 -3.71 0.41 0.00 -1.58 0.00 0.00 42.46 37.77 1og0 s ILE 25 CO 0.16 -0.51 2.12 -0.07 -1.23 0.00 0.00 174.94 175.41 1og0 h LEU 26 N 8.48 0.00 0.00 2.97 3.38 -1.89 -3.48 115.31 124.77 1og0 h LEU 26 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1og0 h LEU 26 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1og0 h LEU 26 CO 0.78 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1og0 n GLY 27 N -0.38 3.80 3.83 0.83 0.00 -1.26 -5.14 105.19 106.86 1og0 n GLY 27 Ca -0.01 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.65 1og0 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1og0 s TYR 28 N -2.00 3.18 0.03 1.61 1.51 -1.26 -5.13 117.35 115.28 1og0 s TYR 28 Ca 0.00 -0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1og0 s TYR 28 Cb 0.00 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1og0 s TYR 28 CO 0.00 0.52 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.31 1og0 s ASP 29 N -3.38 1.59 0.36 2.29 1.01 -1.26 -5.11 116.67 112.17 1og0 s ASP 29 Ca 0.32 -0.39 -0.28 0.00 0.71 0.00 0.00 52.55 52.90 1og0 s ASP 29 Cb -0.09 -0.12 -0.11 0.00 1.01 0.00 0.00 42.92 43.60 1og0 s ASP 29 CO 0.25 0.06 1.49 -0.81 0.21 0.00 0.00 175.17 176.36 1og0 n PRO 30 N 2.13 2.63 -4.15 8.23 -0.04 -1.26 -5.00 135.00 137.54 1og0 n PRO 30 Ca -0.17 0.92 -0.26 0.00 -0.04 0.00 0.00 63.50 63.95 1og0 n PRO 30 Cb 0.55 -2.65 -0.17 0.00 -0.04 0.00 0.00 33.50 31.19 1og0 n PRO 30 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1og0 s LEU 31 N -1.73 1.36 0.31 1.53 2.96 -1.26 -4.93 118.68 116.93 1og0 s LEU 31 Ca 0.55 -0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 1og0 s LEU 31 Cb -0.49 -0.84 -0.12 0.00 0.50 0.00 0.00 46.19 45.25 1og0 s LEU 31 CO 0.61 -0.06 1.48 0.00 -1.32 0.00 0.00 176.35 177.06 1og0 n ALA 32 N 4.52 2.00 -1.51 5.97 0.00 -1.26 -4.96 120.51 125.27 1og0 n ALA 32 Ca -0.17 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1og0 n ALA 32 Cb 0.51 -2.38 0.09 0.00 0.00 0.00 0.00 19.45 17.67 1og0 n ALA 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1og0 s SER 33 N 0.18 4.46 0.10 0.00 1.04 -1.26 -4.82 113.70 113.40 1og0 s SER 33 Ca 0.61 1.37 -0.24 0.00 0.48 0.00 0.00 55.95 58.18 1og0 s SER 33 Cb -0.54 -2.12 -0.12 0.00 0.10 0.00 0.00 66.02 63.35 1og0 s SER 33 CO 0.54 -2.00 1.71 -0.65 0.98 0.00 0.00 173.24 173.83 1og0 h PRO 34 N -1.11 -0.12 -0.75 4.02 0.11 -1.79 -0.54 132.00 131.82 1og0 h PRO 34 Ca -0.47 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.80 1og0 h PRO 34 Cb 1.26 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.30 1og0 h PRO 34 CO 0.58 -0.08 0.27 0.00 -0.21 0.00 0.00 178.00 178.56 1og0 h ALA 35 N 0.83 1.03 -0.19 -0.75 0.00 -0.55 0.31 119.26 119.94 1og0 h ALA 35 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1og0 h ALA 35 Cb 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1og0 h ALA 35 CO -0.04 -0.25 0.07 1.25 0.00 0.00 0.00 179.25 180.28 1og0 h LEU 36 N 0.40 0.27 -0.84 0.00 5.85 -1.67 -2.64 115.31 116.67 1og0 h LEU 36 Ca 0.41 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1og0 h LEU 36 Cb 0.65 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1og0 h LEU 36 CO -0.43 0.39 0.46 0.25 -0.34 0.00 0.00 178.44 178.76 1og0 h LEU 37 N 0.14 1.06 -1.84 2.25 7.12 0.14 -1.45 115.31 122.73 1og0 h LEU 37 Ca 0.06 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1og0 h LEU 37 Cb 0.21 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.07 1og0 h LEU 37 CO -0.00 0.86 0.00 1.56 -0.13 0.00 0.00 178.44 180.72 1og0 h GLN 38 N 1.17 0.00 0.08 1.25 4.20 -0.26 0.56 115.11 122.11 1og0 h GLN 38 Ca 0.30 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.67 1og0 h GLN 38 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1og0 h GLN 38 CO -0.05 0.00 -1.83 0.28 -0.67 0.00 0.00 178.83 176.56 1og0 n VAL 39 N -2.80 1.70 -0.01 -0.54 0.31 -0.83 -3.45 118.33 112.71 1og0 n VAL 39 Ca -0.01 -0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 63.75 1og0 n VAL 39 Cb 0.17 -1.81 -0.04 0.00 -0.91 0.00 0.00 33.84 31.24 1og0 n VAL 39 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1og0 h GLN 40 N -0.26 0.10 -3.21 5.55 4.20 -0.76 -3.29 115.11 117.43 1og0 h GLN 40 Ca -0.42 -0.01 -0.66 0.00 0.06 0.00 0.00 58.65 57.63 1og0 h GLN 40 Cb 1.81 -0.02 -0.39 0.00 0.30 0.00 0.00 27.48 29.18 1og0 h GLN 40 CO -0.02 0.07 -0.39 0.42 -0.67 0.00 0.00 178.83 178.23 1og0 s ILE 41 N -6.19 3.44 0.60 2.54 1.01 0.14 -5.09 121.20 117.66 1og0 s ILE 41 Ca -0.13 -4.01 -0.17 0.00 0.00 0.00 0.00 60.65 56.34 1og0 s ILE 41 Cb 0.08 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1og0 s ILE 41 CO 0.68 -1.01 1.10 -2.16 0.00 0.00 0.00 174.94 173.55 1og0 s PRO 42 N -1.27 3.14 -0.19 2.79 0.04 -1.22 -4.62 135.00 133.66 1og0 s PRO 42 Ca 0.25 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1og0 s PRO 42 Cb -0.08 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1og0 s PRO 42 CO -0.13 -0.99 0.49 0.00 0.04 0.00 0.00 177.00 176.41 1og0 s ALA 43 N -2.13 3.54 0.80 8.56 0.00 -1.26 -5.02 121.76 126.24 1og0 s ALA 43 Ca 0.68 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1og0 s ALA 43 Cb -0.21 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.22 1og0 s ALA 43 CO 0.34 -0.39 1.12 0.95 0.00 0.00 0.00 175.76 177.78 1og0 s THR 44 N 1.51 2.91 0.42 0.00 -4.23 -1.26 -4.78 115.64 110.20 1og0 s THR 44 Ca 0.23 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 61.18 1og0 s THR 44 Cb -0.15 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.33 1og0 s THR 44 CO 0.09 -0.37 1.98 -0.65 -0.54 0.00 0.00 174.62 175.14 1og0 h PRO 45 N -1.18 0.44 0.03 3.99 0.11 -1.99 -1.37 132.00 132.03 1og0 h PRO 45 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1og0 h PRO 45 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1og0 h PRO 45 CO 0.49 0.29 -0.01 1.15 -0.21 0.00 0.00 178.00 179.71 1og0 h THR 46 N 0.46 1.17 -0.53 -1.15 2.02 -1.91 -1.15 112.91 111.83 1og0 h THR 46 Ca 0.27 -0.64 0.10 0.00 0.77 0.00 0.00 66.41 66.91 1og0 h THR 46 Cb 0.46 1.60 -0.08 0.00 -1.74 0.00 0.00 68.15 68.39 1og0 h THR 46 CO -0.08 0.16 0.05 0.28 0.37 0.00 0.00 175.52 176.30 1og0 h SER 47 N -0.32 -0.13 0.33 4.18 0.02 -1.39 0.38 113.55 116.63 1og0 h SER 47 Ca -0.00 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1og0 h SER 47 Cb 0.30 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1og0 h SER 47 CO 0.01 -0.04 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.24 1og0 h LEU 48 N 0.17 0.02 0.03 5.07 3.38 -1.21 -1.84 115.31 120.92 1og0 h LEU 48 Ca 0.27 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 1og0 h LEU 48 Cb 0.40 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1og0 h LEU 48 CO -0.41 0.37 -0.77 -0.08 0.09 0.00 0.00 178.44 177.64 1og0 h GLU 49 N 0.02 0.47 -0.57 1.13 4.57 0.15 -2.90 114.58 117.46 1og0 h GLU 49 Ca -0.00 -0.55 0.06 0.00 -1.18 0.00 0.00 59.36 57.69 1og0 h GLU 49 Cb 0.62 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.32 1og0 h GLU 49 CO 0.05 1.19 0.27 1.15 -1.18 0.00 0.00 179.01 180.48 1og0 h THR 50 N -0.01 0.90 -0.65 0.32 2.02 -0.13 -0.88 112.91 114.49 1og0 h THR 50 Ca -0.10 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1og0 h THR 50 Cb 1.48 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1og0 h THR 50 CO 0.15 0.09 0.41 0.00 0.37 0.00 0.00 175.52 176.54 1og0 h ALA 51 N 1.33 0.82 -0.53 6.16 0.00 -1.39 -1.52 119.26 124.13 1og0 h ALA 51 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1og0 h ALA 51 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1og0 h ALA 51 CO -0.21 0.27 0.01 0.87 0.00 0.00 0.00 179.25 180.20 1og0 h LYS 52 N 0.88 0.94 0.02 0.00 1.57 -1.20 -2.65 116.57 116.12 1og0 h LYS 52 Ca 0.23 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1og0 h LYS 52 Cb -0.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1og0 h LYS 52 CO -0.05 0.95 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.68 1og0 h ARG 53 N 0.81 -0.02 -0.77 3.15 2.43 -0.96 -1.93 114.38 117.08 1og0 h ARG 53 Ca 0.15 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.45 1og0 h ARG 53 Cb 0.52 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 1og0 h ARG 53 CO 0.03 0.03 0.36 0.78 -1.51 0.00 0.00 179.97 179.66 1og0 h GLY 54 N -0.07 1.20 1.03 2.80 0.00 -1.20 -0.29 103.07 106.54 1og0 h GLY 54 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1og0 h GLY 54 CO 0.00 -0.04 0.10 3.21 0.00 0.00 0.00 176.54 179.82 1og0 h ARG 55 N 0.55 0.98 0.18 4.80 3.08 -1.21 -0.67 114.38 122.10 1og0 h ARG 55 Ca 0.41 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1og0 h ARG 55 Cb 0.57 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1og0 h ARG 55 CO -0.35 0.92 -0.09 0.00 -1.07 0.00 0.00 179.97 179.38 1og0 h ARG 56 N 0.89 -0.23 -0.56 0.04 3.08 -0.37 0.53 114.38 117.75 1og0 h ARG 56 Ca 0.18 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1og0 h ARG 56 Cb 0.41 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 1og0 h ARG 56 CO 0.01 -0.10 0.37 0.93 -1.07 0.00 0.00 179.97 180.12 1og0 h GLU 57 N -0.31 0.74 -0.57 0.04 5.08 -1.07 -0.83 114.58 117.66 1og0 h GLU 57 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1og0 h GLU 57 Cb 0.24 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1og0 h GLU 57 CO 0.04 0.49 0.35 0.00 -1.00 0.00 0.00 179.01 178.89 1og0 h ALA 58 N 1.21 0.72 -0.42 3.43 0.00 -0.95 -1.77 119.26 121.47 1og0 h ALA 58 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1og0 h ALA 58 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1og0 h ALA 58 CO -0.04 0.19 0.25 0.82 0.00 0.00 0.00 179.25 180.47 1og0 h ILE 59 N 0.76 1.14 -0.76 0.00 2.04 -0.44 -1.63 117.51 118.61 1og0 h ILE 59 Ca 0.20 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1og0 h ILE 59 Cb -0.04 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1og0 h ILE 59 CO -0.04 0.14 0.40 0.44 0.00 0.00 0.00 178.15 179.09 1og0 h ASP 60 N 0.55 0.97 -0.16 1.72 3.32 -0.86 -2.34 116.42 119.63 1og0 h ASP 60 Ca 0.15 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1og0 h ASP 60 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1og0 h ASP 60 CO -0.03 0.80 -0.08 0.40 -1.72 0.00 0.00 179.24 178.61 1og0 h ILE 61 N 1.06 1.32 0.00 0.35 2.04 -1.12 0.42 117.51 121.58 1og0 h ILE 61 Ca 0.27 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1og0 h ILE 61 Cb 0.06 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1og0 h ILE 61 CO -0.04 0.34 0.00 2.30 0.00 0.00 0.00 178.15 180.75 1og0 n ILE 62 N -4.62 0.54 0.86 -0.67 -5.35 -0.63 -2.88 119.36 106.61 1og0 n ILE 62 Ca -0.06 0.08 0.10 0.00 -0.27 0.00 0.00 62.75 62.60 1og0 n ILE 62 Cb 0.31 -0.78 0.04 0.00 -1.74 0.00 0.00 39.64 37.48 1og0 n ILE 62 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1og0 n THR 63 N -1.71 0.00 -0.00 7.28 -2.24 -0.89 -0.61 114.28 116.11 1og0 n THR 63 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1og0 n THR 63 Cb 0.28 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1og0 n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1og0 n GLY 64 N 1.22 0.35 0.19 3.38 0.00 -1.03 -4.95 105.19 104.36 1og0 n GLY 64 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1og0 n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og0 h LYS 65 N 3.79 0.00 -4.60 1.61 1.57 -1.20 -3.43 116.57 114.32 1og0 h LYS 65 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1og0 h LYS 65 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 1og0 h LYS 65 CO 0.00 0.00 -0.79 0.34 -0.57 0.00 0.00 179.45 178.43 1og0 s ASP 66 N -4.88 1.20 0.00 0.86 2.15 -0.84 -4.94 116.67 110.22 1og0 s ASP 66 Ca 0.03 -0.18 0.11 0.00 0.43 0.00 0.00 52.55 52.94 1og0 s ASP 66 Cb 0.09 -0.31 0.41 0.00 -0.30 0.00 0.00 42.92 42.82 1og0 s ASP 66 CO 0.46 0.07 1.30 -0.90 -0.17 0.00 0.00 175.17 175.94 1og0 n ASP 67 N 3.27 1.12 -4.91 -0.34 5.68 -1.26 -4.51 116.55 115.59 1og0 n ASP 67 Ca -0.18 -1.87 -0.28 0.00 -0.50 0.00 0.00 54.79 51.96 1og0 n ASP 67 Cb 0.54 -0.12 0.08 0.00 -1.14 0.00 0.00 41.12 40.48 1og0 n ASP 67 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1og0 s ARG 68 N -1.76 2.11 -0.17 0.11 0.52 -1.26 -4.97 118.95 113.53 1og0 s ARG 68 Ca 0.20 0.00 -0.04 0.00 -0.52 0.00 0.00 55.73 55.37 1og0 s ARG 68 Cb 0.10 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 1og0 s ARG 68 CO 0.15 -1.43 -0.03 0.08 0.02 0.00 0.00 175.30 174.09 1og0 s VAL 69 N -3.44 3.91 -0.08 3.52 1.01 -0.99 -4.90 120.40 119.43 1og0 s VAL 69 Ca 0.61 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1og0 s VAL 69 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1og0 s VAL 69 CO 0.48 0.47 1.20 -0.22 0.00 0.00 0.00 175.10 177.03 1og0 s LEU 70 N 0.55 4.26 -0.22 3.92 2.96 0.54 -1.66 118.68 129.02 1og0 s LEU 70 Ca -0.02 1.77 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1og0 s LEU 70 Cb -0.14 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1og0 s LEU 70 CO 0.02 -0.61 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.62 1og0 s VAL 71 N 2.43 2.25 -0.62 1.68 1.01 -0.93 -1.22 120.40 125.01 1og0 s VAL 71 Ca 0.55 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1og0 s VAL 71 Cb -0.24 -2.13 0.16 0.00 0.00 0.00 0.00 36.38 34.17 1og0 s VAL 71 CO 0.20 0.27 0.56 -0.63 0.00 0.00 0.00 175.10 175.50 1og0 s ILE 72 N 1.23 5.22 0.07 2.22 -1.09 -0.60 -0.06 121.20 128.19 1og0 s ILE 72 Ca -0.01 -1.83 0.08 0.00 -2.23 0.00 0.00 60.65 56.66 1og0 s ILE 72 Cb -0.16 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 1og0 s ILE 72 CO -0.08 -0.91 -0.22 0.54 -1.23 0.00 0.00 174.94 173.03 1og0 s VAL 73 N 1.13 1.81 0.00 2.92 0.11 -0.22 -1.94 120.40 124.21 1og0 s VAL 73 Ca 0.08 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1og0 s VAL 73 Cb -0.24 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.01 1og0 s VAL 73 CO -0.01 0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.50 1og0 n GLY 74 N 1.48 -0.01 3.37 6.54 0.00 -0.78 -1.06 105.19 114.73 1og0 n GLY 74 Ca -0.18 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1og0 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1og0 n PRO 75 N -1.41 0.03 -0.18 1.61 -0.02 0.24 -0.97 135.00 134.30 1og0 n PRO 75 Ca 0.00 0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 1og0 n PRO 75 Cb 0.00 -1.67 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1og0 n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1og0 s SER 77 N -6.58 -0.50 -0.21 0.00 1.04 -1.26 -4.54 113.70 101.64 1og0 s SER 77 Ca -0.12 0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 1og0 s SER 77 Cb 0.12 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1og0 s SER 77 CO 0.85 -0.54 0.17 -0.63 0.98 0.00 0.00 173.24 174.07 1og0 s ILE 78 N -1.17 5.38 0.00 -1.02 -1.09 -0.72 -4.81 121.20 117.76 1og0 s ILE 78 Ca -0.11 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1og0 s ILE 78 Cb -0.02 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1og0 s ILE 78 CO 0.08 0.40 0.18 0.00 -1.23 0.00 0.00 174.94 174.37 1og0 n HIS 79 N 3.79 0.00 -3.62 3.97 1.44 -1.26 -4.42 115.22 115.13 1og0 n HIS 79 Ca -0.15 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.30 1og0 n HIS 79 Cb 0.52 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.46 1og0 n HIS 79 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1og0 s ASP 80 N -0.10 2.51 0.38 4.39 -1.08 -1.26 -5.01 116.67 116.50 1og0 s ASP 80 Ca 0.00 -0.70 0.15 0.00 -0.52 0.00 0.00 52.55 51.48 1og0 s ASP 80 Cb 0.00 -0.29 0.78 0.00 -1.46 0.00 0.00 42.92 41.95 1og0 s ASP 80 CO 0.00 -0.35 1.83 -0.07 0.52 0.00 0.00 175.17 177.10 1og0 h LEU 81 N 8.40 0.00 0.13 -1.34 4.07 -1.98 -0.92 115.31 123.67 1og0 h LEU 81 Ca -0.16 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1og0 h LEU 81 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1og0 h LEU 81 CO 0.31 0.35 -0.06 -0.08 -1.08 0.00 0.00 178.44 177.88 1og0 h GLU 82 N 0.00 -0.17 -0.27 1.13 4.57 -1.99 -1.83 114.58 116.01 1og0 h GLU 82 Ca -0.00 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 1og0 h GLU 82 Cb 0.67 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1og0 h GLU 82 CO 0.05 0.14 -0.29 0.00 -1.18 0.00 0.00 179.01 177.73 1og0 h ALA 83 N 0.31 0.99 -0.14 2.92 0.00 -1.97 -2.62 119.26 118.75 1og0 h ALA 83 Ca -0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1og0 h ALA 83 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1og0 h ALA 83 CO 0.03 0.60 -0.25 0.00 0.00 0.00 0.00 179.25 179.63 1og0 h ALA 84 N 1.21 1.33 -0.09 0.00 0.00 -1.15 -2.02 119.26 118.54 1og0 h ALA 84 Ca 0.06 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1og0 h ALA 84 Cb 0.75 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1og0 h ALA 84 CO 0.06 0.46 -0.83 0.37 0.00 0.00 0.00 179.25 179.31 1og0 h GLN 85 N 0.22 0.63 -0.31 0.00 5.75 -1.02 -1.08 115.11 119.29 1og0 h GLN 85 Ca 0.04 -0.56 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 1og0 h GLN 85 Cb 0.56 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1og0 h GLN 85 CO 0.04 1.17 0.11 1.49 -2.65 0.00 0.00 178.83 178.99 1og0 h GLU 86 N 0.41 0.47 -0.51 1.69 4.81 -1.24 -1.82 114.58 118.38 1og0 h GLU 86 Ca -0.06 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1og0 h GLU 86 Cb 1.45 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 1og0 h GLU 86 CO 0.16 0.50 0.31 -0.92 -0.73 0.00 0.00 179.01 178.33 1og0 h TYR 87 N 0.35 0.58 -0.58 0.92 5.03 -1.35 -2.18 116.97 119.74 1og0 h TYR 87 Ca 0.10 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.48 1og0 h TYR 87 Cb 0.22 -0.19 -0.05 0.00 1.55 0.00 0.00 36.73 38.26 1og0 h TYR 87 CO 0.00 0.33 0.30 0.00 -1.32 0.00 0.00 178.16 177.48 1og0 h ALA 88 N 1.22 0.76 -0.30 1.82 0.00 -0.85 0.37 119.26 122.28 1og0 h ALA 88 Ca 0.20 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1og0 h ALA 88 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1og0 h ALA 88 CO -0.09 -0.04 0.13 -0.07 0.00 0.00 0.00 179.25 179.18 1og0 h LEU 89 N 0.57 0.18 0.04 0.00 -0.00 -0.79 0.34 115.31 115.65 1og0 h LEU 89 Ca 0.26 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1og0 h LEU 89 Cb 0.18 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1og0 h LEU 89 CO -0.18 0.14 -0.03 0.03 -0.00 0.00 0.00 178.44 178.40 1og0 h ARG 90 N 0.29 -0.07 -0.13 1.13 3.08 -0.80 -1.57 114.38 116.31 1og0 h ARG 90 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1og0 h ARG 90 Cb 0.07 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1og0 h ARG 90 CO -0.11 -0.05 -0.04 1.25 -1.07 0.00 0.00 179.97 179.96 1og0 h LEU 91 N -0.07 0.17 -0.27 3.04 5.85 -0.60 -2.41 115.31 121.02 1og0 h LEU 91 Ca -0.00 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 1og0 h LEU 91 Cb 0.06 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1og0 h LEU 91 CO 0.00 0.24 -0.23 0.50 -0.34 0.00 0.00 178.44 178.61 1og0 h LYS 92 N 0.19 0.64 0.77 1.25 1.63 0.14 0.73 116.57 121.90 1og0 h LYS 92 Ca 0.04 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.49 1og0 h LYS 92 Cb 0.20 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1og0 h LYS 92 CO 0.01 0.92 -0.37 -0.22 -3.45 0.00 0.00 179.45 176.34 1og0 h LYS 93 N 0.37 -0.99 -0.90 1.90 3.64 -0.95 -1.84 116.57 117.79 1og0 h LYS 93 Ca 0.05 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.63 1og0 h LYS 93 Cb 0.78 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.74 1og0 h LYS 93 CO 0.06 -0.66 0.52 1.25 -2.27 0.00 0.00 179.45 178.35 1og0 h LEU 94 N -1.03 0.71 -0.67 5.20 5.85 -1.48 -0.68 115.31 123.20 1og0 h LEU 94 Ca -0.11 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1og0 h LEU 94 Cb 0.79 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1og0 h LEU 94 CO 0.17 0.34 0.32 -1.28 -0.34 0.00 0.00 178.44 177.66 1og0 h SER 95 N 0.78 0.42 -0.40 1.25 0.87 -0.53 -1.02 113.55 114.93 1og0 h SER 95 Ca 0.47 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 61.07 1og0 h SER 95 Cb 0.56 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1og0 h SER 95 CO -0.31 0.25 0.18 0.44 -0.53 0.00 0.00 176.83 176.86 1og0 h ASP 96 N 0.57 0.53 0.33 6.23 3.45 -0.30 -0.72 116.42 126.50 1og0 h ASP 96 Ca 0.32 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.64 1og0 h ASP 96 Cb 0.32 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1og0 h ASP 96 CO -0.25 0.53 0.00 -0.08 -1.57 0.00 0.00 179.24 177.86 1og0 h GLU 97 N 0.50 0.00 0.00 3.56 4.81 -0.62 -2.94 114.58 119.89 1og0 h GLU 97 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1og0 h GLU 97 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1og0 h GLU 97 CO -0.01 0.00 -0.12 1.28 -0.73 0.00 0.00 179.01 179.43 1og0 n LEU 98 N -2.98 1.79 0.32 1.64 4.77 -0.49 -4.79 117.00 117.26 1og0 n LEU 98 Ca -0.02 -2.59 0.19 0.00 -0.03 0.00 0.00 56.01 53.56 1og0 n LEU 98 Cb 0.14 -0.33 1.05 0.00 -2.33 0.00 0.00 43.42 41.96 1og0 n LEU 98 CO 0.21 0.60 1.15 0.07 -1.33 0.00 0.00 177.39 178.10 1og0 h LYS 99 N 0.00 0.00 0.00 3.23 2.10 -0.96 0.30 116.57 121.24 1og0 h LYS 99 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1og0 h LYS 99 Cb 1.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1og0 h LYS 99 CO 0.00 0.00 -0.43 0.78 -2.00 0.00 0.00 179.45 177.80 1og0 h GLY 100 N 0.00 0.00 0.00 0.07 0.00 -1.86 -3.38 103.07 97.90 1og0 h GLY 100 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1og0 h GLY 100 CO -0.00 0.00 -2.01 1.22 0.00 0.00 0.00 176.54 175.75 1og0 n ASP 101 N -3.36 1.91 -4.60 0.19 10.43 -0.50 -4.86 116.55 115.75 1og0 n ASP 101 Ca 0.01 0.08 -0.30 0.00 2.57 0.00 0.00 54.79 57.15 1og0 n ASP 101 Cb 0.62 -0.42 -0.10 0.00 1.84 0.00 0.00 41.12 43.06 1og0 n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1og0 s LEU 102 N -6.56 3.15 -0.74 0.64 1.43 0.94 -2.35 118.68 115.20 1og0 s LEU 102 Ca -0.25 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1og0 s LEU 102 Cb 0.08 -1.90 0.20 0.00 0.03 0.00 0.00 46.19 44.60 1og0 s LEU 102 CO 0.36 0.21 0.62 -0.24 0.23 0.00 0.00 176.35 177.53 1og0 n SER 103 N 0.92 3.48 -4.76 2.29 2.88 -0.67 -4.15 113.62 113.61 1og0 n SER 103 Ca -0.13 -3.25 -0.41 0.00 -1.33 0.00 0.00 58.87 53.75 1og0 n SER 103 Cb 0.52 -0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 1og0 n SER 103 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1og0 s ILE 104 N -1.69 3.05 -0.00 2.46 1.01 -1.26 -2.19 121.20 122.58 1og0 s ILE 104 Ca 0.28 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.97 1og0 s ILE 104 Cb -0.01 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1og0 s ILE 104 CO -0.13 0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 174.37 1og0 s ILE 105 N -0.90 0.35 0.15 2.92 1.01 0.92 -4.62 121.20 121.03 1og0 s ILE 105 Ca 0.49 -0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.78 1og0 s ILE 105 Cb -0.37 -0.31 -0.07 0.00 0.01 0.00 0.00 42.46 41.73 1og0 s ILE 105 CO 0.46 0.09 0.56 -0.32 0.00 0.00 0.00 174.94 175.73 1og0 s MET 106 N -0.14 4.00 -0.24 2.79 -2.45 -0.61 -1.06 119.30 121.59 1og0 s MET 106 Ca 0.01 0.51 -0.27 0.00 -1.25 0.00 0.00 55.69 54.69 1og0 s MET 106 Cb -0.02 -2.93 0.01 0.00 1.25 0.00 0.00 34.83 33.14 1og0 s MET 106 CO -0.00 0.48 0.96 1.03 1.05 0.00 0.00 175.02 178.54 1og0 s ARG 107 N -1.95 4.21 -0.53 4.11 0.52 -0.22 -0.09 118.95 125.00 1og0 s ARG 107 Ca 0.38 1.17 0.07 0.00 -0.52 0.00 0.00 55.73 56.83 1og0 s ARG 107 Cb -0.15 -3.65 0.26 0.00 0.52 0.00 0.00 34.95 31.93 1og0 s ARG 107 CO 0.19 -0.61 0.67 0.00 0.02 0.00 0.00 175.30 175.57 1og0 n ALA 108 N 6.25 3.39 -2.71 2.13 0.00 0.04 -4.15 120.51 125.45 1og0 n ALA 108 Ca 0.10 -4.19 -0.40 0.00 0.00 0.00 0.00 53.44 48.95 1og0 n ALA 108 Cb 0.47 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 1og0 n ALA 108 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1og0 s TYR 109 N -2.03 3.55 -0.04 0.00 1.51 -1.26 -4.48 117.35 114.59 1og0 s TYR 109 Ca 0.39 1.22 -0.05 0.00 -1.01 0.00 0.00 57.07 57.62 1og0 s TYR 109 Cb 0.17 -2.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1og0 s TYR 109 CO -0.06 0.04 0.30 -0.07 -1.11 0.00 0.00 175.55 174.65 1og0 h LEU 110 N 7.01 -0.16-10.27 -1.29 -0.00 -1.89 -1.93 115.31 106.78 1og0 h LEU 110 Ca -0.39 0.01 -0.55 0.00 -0.00 0.00 0.00 57.88 56.94 1og0 h LEU 110 Cb 1.19 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 1og0 h LEU 110 CO 0.76 0.13 -0.33 -1.61 -0.00 0.00 0.00 178.44 177.40 1og0 s GLU 111 N -2.12 2.32 0.00 1.13 0.41 -1.26 -2.45 118.70 116.73 1og0 s GLU 111 Ca -0.03 -1.87 0.00 0.00 -0.41 0.00 0.00 54.97 52.67 1og0 s GLU 111 Cb 0.00 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1og0 s GLU 111 CO 0.08 -0.48 0.00 1.17 -0.49 0.00 0.00 175.26 175.55 1og0 n LYS 112 N -1.68 0.00 0.00 1.61 4.81 -1.26 -4.94 118.16 116.70 1og0 n LYS 112 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1og0 n LYS 112 Cb 0.64 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.69 1og0 n LYS 112 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og0 n GLY 118 N 4.14 2.55 3.71 3.14 0.00 -1.26 -5.08 105.19 112.39 1og0 n GLY 118 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1og0 n GLY 118 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1og0 n TRP 119 N 12.18 2.55 0.10 1.61 -0.00 -1.26 -4.95 117.44 127.67 1og0 n TRP 119 Ca 0.00 0.33 -0.05 0.00 -0.00 0.00 0.00 57.50 57.78 1og0 n TRP 119 Cb 0.00 -2.54 0.09 0.00 -0.00 0.00 0.00 31.31 28.86 1og0 n TRP 119 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 1og0 h LYS 120 N 4.56 0.14 0.00 5.87 1.79 -1.97 -3.50 116.57 123.45 1og0 h LYS 120 Ca -0.46 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 1og0 h LYS 120 Cb 1.25 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1og0 h LYS 120 CO 0.78 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 180.34 1og0 n GLY 121 N 0.49 3.44 0.26 3.86 0.00 -1.26 -4.59 105.19 107.39 1og0 n GLY 121 Ca -0.02 -1.89 0.04 0.00 0.00 0.00 0.00 46.02 44.15 1og0 n GLY 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1og0 h LEU 122 N 0.00 0.03 -0.05 0.99 5.85 -1.69 0.69 115.31 121.13 1og0 h LEU 122 Ca 0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1og0 h LEU 122 Cb 0.00 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1og0 h LEU 122 CO 0.00 -0.01 -0.00 0.40 -0.34 0.00 0.00 178.44 178.49 1og0 h ILE 123 N 0.28 1.26 0.19 4.05 2.04 -1.83 -2.66 117.51 120.84 1og0 h ILE 123 Ca 0.39 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1og0 h ILE 123 Cb 0.64 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1og0 h ILE 123 CO -0.47 0.21 -0.09 0.78 0.00 0.00 0.00 178.15 178.58 1og0 h ASN 124 N -0.21 -0.21 -2.77 1.72 4.21 -1.73 -3.34 115.58 113.25 1og0 h ASN 124 Ca 0.01 -0.28 -0.61 0.00 1.21 0.00 0.00 56.30 56.64 1og0 h ASN 124 Cb 0.34 0.05 -0.40 0.00 -1.12 0.00 0.00 38.32 37.19 1og0 h ASN 124 CO 0.00 0.20 -0.76 -0.62 -1.29 0.00 0.00 177.43 174.97 1og0 s ASP 125 N -5.32 3.26 0.27 5.81 2.15 0.24 -2.48 116.67 120.61 1og0 s ASP 125 Ca -0.14 -3.47 -0.02 0.00 0.43 0.00 0.00 52.55 49.34 1og0 s ASP 125 Cb 0.02 -1.08 0.37 0.00 -0.30 0.00 0.00 42.92 41.93 1og0 s ASP 125 CO 0.57 -0.13 1.84 1.55 -0.17 0.00 0.00 175.17 178.84 1og0 h PRO 126 N 5.53 0.93 0.00 4.34 0.13 -1.60 -2.80 132.00 138.53 1og0 h PRO 126 Ca 0.20 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1og0 h PRO 126 Cb 0.83 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1og0 h PRO 126 CO 0.56 0.77 0.00 -0.44 -0.23 0.00 0.00 178.00 178.66 1og0 h ASP 127 N 0.91 0.00 -4.90 1.44 3.32 -1.88 -3.48 116.42 111.83 1og0 h ASP 127 Ca 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1og0 h ASP 127 Cb 0.21 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.85 1og0 h ASP 127 CO -0.02 0.00 -0.40 0.52 -1.72 0.00 0.00 179.24 177.63 1og0 n VAL 128 N -2.90 -7.79 -2.67 -1.35 0.31 -1.06 -4.53 118.33 98.35 1og0 n VAL 128 Ca 0.03 -0.71 -0.05 0.00 -0.01 0.00 0.00 64.34 63.60 1og0 n VAL 128 Cb 0.41 -5.96 0.04 0.00 -0.91 0.00 0.00 33.84 27.41 1og0 n VAL 128 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1og0 n ASN 129 N -2.34 -1.42 -2.68 4.52 2.04 -1.26 -3.66 115.26 110.46 1og0 n ASN 129 Ca -0.03 -1.97 -0.08 0.00 -0.44 0.00 0.00 54.58 52.05 1og0 n ASN 129 Cb 0.56 1.05 -0.01 0.00 -2.53 0.00 0.00 39.78 38.84 1og0 n ASN 129 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1og0 n ASN 130 N -0.45 -2.18 -3.94 0.53 5.03 -1.26 -4.92 115.26 108.06 1og0 n ASN 130 Ca -0.18 0.22 -0.30 0.00 0.87 0.00 0.00 54.58 55.19 1og0 n ASN 130 Cb 0.72 -1.93 -0.16 0.00 -1.02 0.00 0.00 39.78 37.39 1og0 n ASN 130 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1og0 s THR 131 N -2.35 1.57 -1.09 3.41 -4.23 -1.26 -5.07 115.64 106.62 1og0 s THR 131 Ca 0.09 -1.27 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 1og0 s THR 131 Cb -0.05 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 72.00 1og0 s THR 131 CO 0.11 -0.12 1.57 -0.36 -0.54 0.00 0.00 174.62 175.28 1og0 s PHE 132 N 1.37 2.54 -1.06 3.99 0.08 -1.26 -4.64 117.98 119.00 1og0 s PHE 132 Ca -0.05 -0.93 -0.07 0.00 0.12 0.00 0.00 56.93 56.00 1og0 s PHE 132 Cb -0.19 -4.66 0.27 0.00 -0.57 0.00 0.00 43.02 37.88 1og0 s PHE 132 CO -0.06 -1.87 1.10 -1.71 -0.10 0.00 0.00 175.22 172.58 1og0 n ASN 133 N 9.21 5.38 -0.16 1.36 5.15 -1.03 -4.91 115.26 130.26 1og0 n ASN 133 Ca 0.38 -3.12 -0.04 0.00 -0.60 0.00 0.00 54.58 51.20 1og0 n ASN 133 Cb 0.49 -1.29 0.06 0.00 -0.53 0.00 0.00 39.78 38.51 1og0 n ASN 133 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1og0 h ILE 134 N 3.67 0.86 -0.54 -1.44 5.03 -1.72 -0.04 117.51 123.33 1og0 h ILE 134 Ca 0.18 -0.13 0.10 0.00 -0.12 0.00 0.00 64.86 64.89 1og0 h ILE 134 Cb 0.82 0.46 -0.08 0.00 -3.03 0.00 0.00 36.82 34.98 1og0 h ILE 134 CO 1.03 0.07 0.09 0.78 -0.68 0.00 0.00 178.15 179.44 1og0 h ASN 135 N 0.37 -0.04 0.17 1.72 2.35 -1.91 0.51 115.58 118.75 1og0 h ASN 135 Ca 0.23 0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 1og0 h ASN 135 Cb 0.22 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1og0 h ASN 135 CO -0.22 -0.00 -0.46 0.50 -1.65 0.00 0.00 177.43 175.60 1og0 h LYS 136 N 0.22 0.35 -0.35 0.81 3.64 -1.83 -2.41 116.57 117.00 1og0 h LYS 136 Ca 0.28 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1og0 h LYS 136 Cb 0.40 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1og0 h LYS 136 CO -0.38 0.75 0.17 0.78 -2.27 0.00 0.00 179.45 178.50 1og0 h GLY 137 N 1.22 0.54 1.62 5.01 0.00 0.11 0.41 103.07 111.98 1og0 h GLY 137 Ca 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1og0 h GLY 137 CO 0.08 0.25 -0.02 1.41 0.00 0.00 0.00 176.54 178.26 1og0 h LEU 138 N 0.43 0.44 0.02 3.11 3.38 -0.02 0.21 115.31 122.88 1og0 h LEU 138 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1og0 h LEU 138 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1og0 h LEU 138 CO -0.02 0.53 -0.01 1.56 0.09 0.00 0.00 178.44 180.60 1og0 h GLN 139 N 0.46 -0.02 -0.10 1.13 4.20 -0.89 -0.44 115.11 119.44 1og0 h GLN 139 Ca 0.10 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1og0 h GLN 139 Cb 0.34 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1og0 h GLN 139 CO 0.01 0.26 -0.03 0.77 -0.67 0.00 0.00 178.83 179.18 1og0 h SER 140 N -0.30 -0.10 -0.16 1.46 0.02 -0.56 0.17 113.55 114.09 1og0 h SER 140 Ca -0.00 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1og0 h SER 140 Cb 0.29 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.83 1og0 h SER 140 CO 0.00 -0.04 -0.41 0.00 -1.14 0.00 0.00 176.83 175.24 1og0 h ALA 141 N 1.10 -0.56 -0.50 3.77 0.00 -0.49 0.21 119.26 122.79 1og0 h ALA 141 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1og0 h ALA 141 Cb 0.08 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1og0 h ALA 141 CO -0.10 -0.91 0.00 -0.09 0.00 0.00 0.00 179.25 178.15 1og0 h ARG 142 N -0.47 0.84 -0.37 0.00 2.43 -0.79 -1.44 114.38 114.57 1og0 h ARG 142 Ca 0.08 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1og0 h ARG 142 Cb 0.62 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1og0 h ARG 142 CO -0.41 0.84 0.17 0.37 -1.51 0.00 0.00 179.97 179.43 1og0 h GLN 143 N 0.78 0.54 0.20 0.20 5.75 -0.09 -0.83 115.11 121.67 1og0 h GLN 143 Ca 0.15 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 1og0 h GLN 143 Cb 0.47 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1og0 h GLN 143 CO 0.02 0.50 -0.34 1.25 -2.65 0.00 0.00 178.83 177.61 1og0 h LEU 144 N 0.46 -0.96 -1.09 -2.39 5.85 -0.30 0.31 115.31 117.18 1og0 h LEU 144 Ca 0.13 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.08 1og0 h LEU 144 Cb 0.14 0.35 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 1og0 h LEU 144 CO -0.01 -0.45 0.61 -0.26 -0.34 0.00 0.00 178.44 177.99 1og0 h PHE 145 N -0.62 1.05 -0.17 1.25 -1.00 -1.09 -0.64 116.94 115.72 1og0 h PHE 145 Ca 0.01 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.77 1og0 h PHE 145 Cb 0.61 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 1og0 h PHE 145 CO -0.26 0.40 -0.08 0.28 -1.61 0.00 0.00 178.31 177.04 1og0 h VAL 146 N 0.90 1.31 -0.54 -0.55 2.07 -0.35 -2.02 116.25 117.07 1og0 h VAL 146 Ca 0.48 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1og0 h VAL 146 Cb 0.57 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1og0 h VAL 146 CO -0.25 0.33 0.19 0.78 0.02 0.00 0.00 177.57 178.65 1og0 h ASN 147 N 0.03 0.19 0.49 0.57 2.35 0.66 0.28 115.58 120.15 1og0 h ASN 147 Ca 0.04 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1og0 h ASN 147 Cb 0.55 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1og0 h ASN 147 CO 0.02 0.13 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.63 1og0 h LEU 148 N 0.37 -0.56 -2.39 1.61 3.38 -1.15 -3.13 115.31 113.45 1og0 h LEU 148 Ca 0.27 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1og0 h LEU 148 Cb 0.30 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1og0 h LEU 148 CO -0.27 -0.28 0.18 0.71 0.09 0.00 0.00 178.44 178.86 1og0 h THR 149 N -0.90 0.22 0.00 0.22 1.35 -1.36 -1.22 112.91 111.22 1og0 h THR 149 Ca -0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.73 1og0 h THR 149 Cb 0.51 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 1og0 h THR 149 CO 0.11 0.00 -0.32 -1.13 -0.25 0.00 0.00 175.52 173.93 1og0 h ASN 150 N 0.00 0.00 -0.37 5.36 -1.24 -0.87 -2.13 115.58 116.33 1og0 h ASN 150 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1og0 h ASN 150 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 1og0 h ASN 150 CO -0.00 0.32 0.00 2.30 -1.29 0.00 0.00 177.43 178.76 1og0 n ILE 151 N -4.05 0.64 -0.61 2.57 -5.35 -0.46 -4.66 119.36 107.44 1og0 n ILE 151 Ca -0.02 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 1og0 n ILE 151 Cb 0.37 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1og0 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1og0 n GLY 152 N 1.01 0.66 3.38 3.28 0.00 -0.80 -5.05 105.19 107.66 1og0 n GLY 152 Ca 0.13 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1og0 n GLY 152 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1og0 s LEU 153 N 0.00 4.22 0.94 0.99 2.96 -1.23 -4.97 118.68 121.58 1og0 s LEU 153 Ca 0.00 -0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 53.04 1og0 s LEU 153 Cb 0.00 -1.96 0.16 0.00 0.50 0.00 0.00 46.19 44.89 1og0 s LEU 153 CO 0.00 -0.26 1.11 -2.84 -1.32 0.00 0.00 176.35 173.05 1og0 s PRO 154 N 1.54 0.83 0.08 0.98 0.02 -1.26 -3.51 135.00 133.68 1og0 s PRO 154 Ca 0.03 1.32 0.01 0.00 0.02 0.00 0.00 61.00 62.38 1og0 s PRO 154 Cb -0.18 -1.72 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1og0 s PRO 154 CO 0.05 -2.68 -0.06 0.96 -0.33 0.00 0.00 177.00 174.94 1og0 s ILE 155 N -2.67 0.57 0.08 2.83 -4.36 -1.26 -1.57 121.20 114.81 1og0 s ILE 155 Ca 0.66 -1.79 0.03 0.00 -0.26 0.00 0.00 60.65 59.29 1og0 s ILE 155 Cb -0.22 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 41.96 1og0 s ILE 155 CO 0.59 -0.83 -0.09 -0.83 0.24 0.00 0.00 174.94 174.01 1og0 s GLY 156 N -2.81 0.74 0.22 6.27 0.00 0.88 -1.29 107.32 111.33 1og0 s GLY 156 Ca 0.08 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.57 1og0 s GLY 156 CO -0.05 -1.15 0.48 -0.45 0.00 0.00 0.00 173.10 171.93 1og0 s SER 157 N -2.24 -0.14 0.05 1.64 0.15 -0.57 -0.78 113.70 111.80 1og0 s SER 157 Ca 0.02 -0.74 -0.22 0.00 0.70 0.00 0.00 55.95 55.70 1og0 s SER 157 Cb -0.04 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1og0 s SER 157 CO -0.00 -1.09 0.66 -0.70 1.20 0.00 0.00 173.24 173.30 1og0 s GLU 158 N -3.95 4.38 -1.07 5.44 2.12 -1.26 -2.10 118.70 122.25 1og0 s GLU 158 Ca 0.16 0.88 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 1og0 s GLU 158 Cb -0.01 -3.32 0.10 0.00 0.26 0.00 0.00 34.13 31.17 1og0 s GLU 158 CO 0.04 0.42 1.39 -1.64 -0.54 0.00 0.00 175.26 174.93 1og0 s MET 159 N -0.45 3.75 0.00 4.30 -1.94 -0.51 -4.87 119.30 119.58 1og0 s MET 159 Ca 0.33 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.56 1og0 s MET 159 Cb -0.20 -5.19 0.00 0.00 2.01 0.00 0.00 34.83 31.45 1og0 s MET 159 CO 0.20 -1.99 0.93 1.28 -0.01 0.00 0.00 175.02 175.43 1og0 n LEU 160 N 7.43 0.00 0.00 -0.03 4.77 -1.26 -4.91 117.00 123.00 1og0 n LEU 160 Ca 0.33 0.93 -0.23 0.00 -0.03 0.00 0.00 56.01 57.01 1og0 n LEU 160 Cb 0.48 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1og0 n LEU 160 CO 0.62 -0.43 -0.17 -0.90 -1.33 0.00 0.00 177.39 175.18 1og0 n ASP 161 N -1.96 2.49 -0.33 -1.43 5.68 -1.26 -5.04 116.55 114.69 1og0 n ASP 161 Ca 0.00 -2.70 0.08 0.00 -0.50 0.00 0.00 54.79 51.67 1og0 n ASP 161 Cb 0.00 0.44 0.34 0.00 -1.14 0.00 0.00 41.12 40.76 1og0 n ASP 161 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1og0 n THR 162 N -0.89 0.16 -0.04 2.12 -2.24 -1.26 -4.31 114.28 107.82 1og0 n THR 162 Ca -0.13 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 1og0 n THR 162 Cb 0.49 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1og0 n THR 162 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1og0 n ILE 163 N -0.08 0.55 -0.35 2.28 5.41 -1.26 -4.60 119.36 121.31 1og0 n ILE 163 Ca 0.13 -0.08 0.24 0.00 1.00 0.00 0.00 62.75 64.04 1og0 n ILE 163 Cb 0.20 -1.64 0.49 0.00 -0.71 0.00 0.00 39.64 37.99 1og0 n ILE 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1og0 h SER 164 N -0.31 0.50 -0.73 4.38 0.02 -2.00 -1.39 113.55 114.02 1og0 h SER 164 Ca -0.20 0.15 0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1og0 h SER 164 Cb 1.12 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.66 1og0 h SER 164 CO -0.12 -0.05 0.30 -0.65 -1.14 0.00 0.00 176.83 175.16 1og0 h PRO 165 N 0.35 0.46 -0.78 3.45 0.11 -1.85 -0.59 132.00 133.14 1og0 h PRO 165 Ca 0.70 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 67.01 1og0 h PRO 165 Cb 1.68 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.66 1og0 h PRO 165 CO -0.50 0.30 0.69 1.96 -0.21 0.00 0.00 178.00 180.25 1og0 h GLN 166 N 0.47 0.00 0.00 1.05 1.08 -1.56 1.62 115.11 117.77 1og0 h GLN 166 Ca 0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 1og0 h GLN 166 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1og0 h GLN 166 CO -0.37 0.00 -0.94 0.66 -0.95 0.00 0.00 178.83 177.23 1og0 n TYR 167 N -3.86 0.63 0.00 2.96 4.02 -0.25 -4.63 117.16 116.03 1og0 n TYR 167 Ca 0.16 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 1og0 n TYR 167 Cb 0.97 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1og0 n TYR 167 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1og0 n LEU 168 N -2.31 0.00 -0.32 7.72 4.77 0.11 -4.86 117.00 122.11 1og0 n LEU 168 Ca 0.01 -0.07 0.18 0.00 -0.03 0.00 0.00 56.01 56.10 1og0 n LEU 168 Cb 0.49 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.97 1og0 n LEU 168 CO 0.39 0.00 1.08 0.00 -1.33 0.00 0.00 177.39 177.53 1og0 h ALA 169 N 0.00 1.68 0.00 -1.18 0.00 0.19 -0.86 119.26 119.09 1og0 h ALA 169 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1og0 h ALA 169 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1og0 h ALA 169 CO 0.00 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.40 1og0 n ASP 170 N -5.05 0.02 0.00 0.00 5.68 -1.26 -2.02 116.55 113.91 1og0 n ASP 170 Ca 0.27 -0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1og0 n ASP 170 Cb 0.81 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 1og0 n ASP 170 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1og0 n LEU 171 N -0.39 0.12 -4.75 -2.12 4.77 -0.33 -4.83 117.00 109.47 1og0 n LEU 171 Ca 0.00 -0.19 -0.38 0.00 -0.03 0.00 0.00 56.01 55.41 1og0 n LEU 171 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1og0 n LEU 171 CO 0.00 0.03 0.12 -0.69 -1.33 0.00 0.00 177.39 175.52 1og0 s VAL 172 N -0.13 5.17 -0.66 4.08 1.01 -0.86 -4.53 120.40 124.48 1og0 s VAL 172 Ca 0.00 0.84 0.20 0.00 0.00 0.00 0.00 61.98 63.03 1og0 s VAL 172 Cb 0.00 -3.75 -0.25 0.00 0.00 0.00 0.00 36.38 32.38 1og0 s VAL 172 CO 0.00 0.41 0.73 -1.20 0.00 0.00 0.00 175.10 175.03 1og0 n SER 173 N 3.17 0.73 -3.70 3.32 7.64 -0.41 -4.85 113.62 119.51 1og0 n SER 173 Ca -0.10 -0.66 -0.13 0.00 1.01 0.00 0.00 58.87 58.99 1og0 n SER 173 Cb 0.52 1.30 -0.09 0.00 -1.01 0.00 0.00 64.21 64.93 1og0 n SER 173 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1og0 s PHE 174 N -3.07 -0.56 0.03 1.43 5.36 -1.15 -4.25 117.98 115.75 1og0 s PHE 174 Ca 0.03 1.33 0.06 0.00 -0.96 0.00 0.00 56.93 57.38 1og0 s PHE 174 Cb 0.15 0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 43.02 1og0 s PHE 174 CO 0.84 -0.28 -0.16 0.20 -1.46 0.00 0.00 175.22 174.36 1og0 s GLY 175 N 0.48 0.88 0.07 13.12 0.00 -0.58 -1.51 107.32 119.77 1og0 s GLY 175 Ca -0.02 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 43.91 1og0 s GLY 175 CO -0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 173.10 172.12 1og0 s ALA 176 N -0.70 1.43 -0.28 3.20 0.00 -0.89 0.23 121.76 124.76 1og0 s ALA 176 Ca 0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1og0 s ALA 176 Cb -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.88 1og0 s ALA 176 CO 0.01 0.27 -0.01 0.42 0.00 0.00 0.00 175.76 176.45 1og0 s ILE 177 N -1.05 3.16 0.82 0.00 -1.09 0.78 -1.43 121.20 122.39 1og0 s ILE 177 Ca 0.03 -1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 57.24 1og0 s ILE 177 Cb -0.09 -2.68 0.09 0.00 -1.58 0.00 0.00 42.46 38.20 1og0 s ILE 177 CO 0.02 0.06 1.19 -0.83 -1.23 0.00 0.00 174.94 174.16 1og0 s GLY 178 N 1.34 2.07 0.38 6.18 0.00 -1.26 -2.02 107.32 114.00 1og0 s GLY 178 Ca -0.01 0.79 0.19 0.00 0.00 0.00 0.00 44.72 45.69 1og0 s GLY 178 CO -0.02 1.20 1.68 0.00 0.00 0.00 0.00 173.10 175.97 1og0 h ALA 179 N -1.07 2.22 0.00 3.20 0.00 -1.80 0.50 119.26 122.32 1og0 h ALA 179 Ca -0.46 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1og0 h ALA 179 Cb 1.29 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1og0 h ALA 179 CO 0.45 -0.78 0.00 0.54 0.00 0.00 0.00 179.25 179.46 1og0 n ARG 180 N -4.85 0.07 0.00 0.00 1.74 -1.26 -3.59 116.66 108.77 1og0 n ARG 180 Ca 0.31 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1og0 n ARG 180 Cb 1.07 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 1og0 n ARG 180 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1og0 n THR 181 N -1.72 0.00 -0.07 0.55 -2.24 0.12 -4.74 114.28 106.17 1og0 n THR 181 Ca 0.04 -0.48 0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1og0 n THR 181 Cb 0.26 1.01 0.71 0.00 -2.10 0.00 0.00 70.33 70.21 1og0 n THR 181 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1og0 h THR 182 N 0.01 0.39 0.00 4.28 2.02 -1.47 0.36 112.91 118.50 1og0 h THR 182 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1og0 h THR 182 Cb 0.01 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1og0 h THR 182 CO 0.00 0.00 -0.65 -0.62 0.37 0.00 0.00 175.52 174.62 1og0 n GLU 183 N -3.89 0.22 -1.90 6.66 1.02 -1.26 -4.67 120.64 116.82 1og0 n GLU 183 Ca 0.14 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.91 1og0 n GLU 183 Cb 0.89 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.66 1og0 n GLU 183 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1og0 s SER 184 N -3.88 6.38 0.25 1.62 0.15 0.12 -4.87 113.70 113.47 1og0 s SER 184 Ca 0.07 2.14 -0.04 0.00 0.70 0.00 0.00 55.95 58.82 1og0 s SER 184 Cb 0.15 -2.53 0.41 0.00 -1.71 0.00 0.00 66.02 62.34 1og0 s SER 184 CO 0.73 -1.18 1.80 -0.61 1.20 0.00 0.00 173.24 175.18 1og0 h GLN 185 N 10.82 0.73 -0.90 5.44 5.75 -1.90 -1.10 115.11 133.96 1og0 h GLN 185 Ca -0.41 -0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.15 1og0 h GLN 185 Cb 1.19 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 1og0 h GLN 185 CO 0.96 0.48 0.54 1.25 -2.65 0.00 0.00 178.83 179.42 1og0 h LEU 186 N 0.75 0.80 0.00 -2.39 5.85 -1.93 -0.93 115.31 117.45 1og0 h LEU 186 Ca 0.40 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1og0 h LEU 186 Cb 0.41 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1og0 h LEU 186 CO -0.27 0.46 -0.09 0.45 -0.34 0.00 0.00 178.44 178.65 1og0 h HIS 187 N 0.90 0.00 0.12 1.25 3.86 -1.52 -2.38 115.15 117.38 1og0 h HIS 187 Ca 0.43 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.34 1og0 h HIS 187 Cb 0.36 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.86 1og0 h HIS 187 CO -0.04 0.00 -1.25 0.00 0.86 0.00 0.00 177.93 177.50 1og0 h ARG 188 N 0.00 0.63 -0.48 2.45 3.08 -0.40 -2.29 114.38 117.37 1og0 h ARG 188 Ca 0.00 -0.84 -0.05 0.00 0.07 0.00 0.00 59.98 59.16 1og0 h ARG 188 Cb 0.95 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1og0 h ARG 188 CO 0.00 1.38 0.09 0.93 -1.07 0.00 0.00 179.97 181.31 1og0 h GLU 189 N 0.28 0.79 -0.78 0.04 5.08 -1.22 -2.17 114.58 116.59 1og0 h GLU 189 Ca -0.19 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1og0 h GLU 189 Cb 1.92 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 31.04 1og0 h GLU 189 CO 0.24 0.78 0.52 1.25 -1.00 0.00 0.00 179.01 180.80 1og0 h LEU 190 N 0.66 0.90 -1.26 1.33 5.85 -1.44 -2.15 115.31 119.21 1og0 h LEU 190 Ca 0.15 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1og0 h LEU 190 Cb 0.37 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1og0 h LEU 190 CO 0.01 0.65 -0.02 0.00 -0.34 0.00 0.00 178.44 178.74 1og0 h ALA 191 N 1.28 1.39 0.00 1.25 0.00 -1.16 -2.16 119.26 119.88 1og0 h ALA 191 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1og0 h ALA 191 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1og0 h ALA 191 CO -0.06 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1og0 n SER 192 N -4.28 0.00 -0.01 0.00 3.41 -0.81 -2.41 113.62 109.52 1og0 n SER 192 Ca 0.01 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1og0 n SER 192 Cb 0.25 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1og0 n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1og0 n GLY 193 N -0.43 1.62 3.84 5.00 0.00 -0.82 -1.51 105.19 112.88 1og0 n GLY 193 Ca 0.04 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1og0 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1og0 s LEU 194 N -0.80 4.19 -0.13 0.99 1.43 -1.01 -4.97 118.68 118.37 1og0 s LEU 194 Ca 0.01 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1og0 s LEU 194 Cb 0.01 -3.83 0.21 0.00 0.03 0.00 0.00 46.19 42.61 1og0 s LEU 194 CO 0.00 -0.09 1.26 -1.20 0.23 0.00 0.00 176.35 176.55 1og0 n SER 195 N 0.14 3.19 -3.85 2.29 7.64 -1.26 -4.88 113.62 116.89 1og0 n SER 195 Ca 0.01 -2.48 -0.07 0.00 1.01 0.00 0.00 58.87 57.33 1og0 n SER 195 Cb 0.52 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 63.10 1og0 n SER 195 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1og0 s PHE 196 N -1.05 -0.18 0.34 1.43 -0.12 -1.26 -5.05 117.98 112.08 1og0 s PHE 196 Ca 0.18 -0.27 -0.29 0.00 -0.05 0.00 0.00 56.93 56.49 1og0 s PHE 196 Cb 0.15 0.71 -0.11 0.00 -0.63 0.00 0.00 43.02 43.14 1og0 s PHE 196 CO 0.03 -1.23 1.39 -2.14 -0.05 0.00 0.00 175.22 173.22 1og0 s PRO 197 N -3.88 4.26 -0.11 1.99 0.02 -1.26 -4.85 135.00 131.17 1og0 s PRO 197 Ca 0.11 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.52 1og0 s PRO 197 Cb -0.06 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1og0 s PRO 197 CO 0.07 -0.34 -0.23 0.08 -0.33 0.00 0.00 177.00 176.25 1og0 s VAL 198 N -0.99 2.03 -0.22 3.83 1.01 -0.74 -1.53 120.40 123.78 1og0 s VAL 198 Ca 0.52 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1og0 s VAL 198 Cb -0.42 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1og0 s VAL 198 CO 0.55 0.55 0.13 -0.83 0.00 0.00 0.00 175.10 175.51 1og0 s GLY 199 N 0.52 1.97 -0.31 4.51 0.00 0.14 -1.76 107.32 112.39 1og0 s GLY 199 Ca -0.15 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1og0 s GLY 199 CO 0.05 0.30 0.19 -1.36 0.00 0.00 0.00 173.10 172.28 1og0 s PHE 200 N 0.85 3.20 0.51 1.90 0.08 -0.09 -0.15 117.98 124.28 1og0 s PHE 200 Ca 0.07 -0.22 -0.19 0.00 0.12 0.00 0.00 56.93 56.71 1og0 s PHE 200 Cb -0.13 -2.40 -0.07 0.00 -0.57 0.00 0.00 43.02 39.85 1og0 s PHE 200 CO 0.03 -0.32 1.03 0.15 -0.10 0.00 0.00 175.22 176.00 1og0 s LYS 201 N 1.70 3.71 0.85 0.44 1.02 -0.86 -1.19 119.74 125.42 1og0 s LYS 201 Ca 0.06 1.27 -0.11 0.00 0.02 0.00 0.00 55.97 57.20 1og0 s LYS 201 Cb -0.17 -2.09 0.10 0.00 -0.52 0.00 0.00 37.83 35.16 1og0 s LYS 201 CO 0.09 -0.50 1.09 0.54 -0.92 0.00 0.00 175.35 175.66 1og0 s ASN 202 N -2.31 3.89 0.85 2.83 4.22 -0.88 -4.54 114.94 119.00 1og0 s ASN 202 Ca 0.65 1.46 -0.13 0.00 -2.14 0.00 0.00 52.86 52.69 1og0 s ASN 202 Cb -0.15 -2.16 0.04 0.00 1.28 0.00 0.00 41.25 40.26 1og0 s ASN 202 CO 0.25 -2.37 0.73 0.61 -2.04 0.00 0.00 177.10 174.29 1og0 n GLY 203 N -1.45 -1.17 0.04 0.45 0.00 -0.32 -4.50 105.19 98.24 1og0 n GLY 203 Ca 0.07 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.58 1og0 n GLY 203 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1og0 n THR 204 N -3.28 1.07 0.42 2.61 -2.24 -1.26 -1.38 114.28 110.22 1og0 n THR 204 Ca 0.10 0.29 0.07 0.00 -2.27 0.00 0.00 64.05 62.24 1og0 n THR 204 Cb 0.52 -1.11 0.21 0.00 -2.10 0.00 0.00 70.33 67.85 1og0 n THR 204 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1og0 n ASP 205 N -1.69 2.67 0.00 3.42 3.85 -1.26 -2.55 116.55 120.99 1og0 n ASP 205 Ca 0.03 -2.05 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 1og0 n ASP 205 Cb 0.16 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1og0 n ASP 205 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1og0 n GLY 206 N 1.19 1.52 3.89 6.12 0.00 -0.48 -3.18 105.19 114.25 1og0 n GLY 206 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1og0 n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1og0 s THR 207 N -3.16 4.88 -0.17 2.61 -4.23 -1.26 -4.79 115.64 109.52 1og0 s THR 207 Ca 0.00 0.39 0.19 0.00 -1.18 0.00 0.00 61.69 61.09 1og0 s THR 207 Cb 0.00 -3.75 -0.28 0.00 1.34 0.00 0.00 72.50 69.81 1og0 s THR 207 CO 0.00 -0.49 0.48 0.18 -0.54 0.00 0.00 174.62 174.25 1og0 n LEU 208 N -1.29 0.14 -0.27 4.79 4.77 -1.26 -1.17 117.00 122.72 1og0 n LEU 208 Ca 0.01 -0.08 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1og0 n LEU 208 Cb 0.54 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.72 1og0 n LEU 208 CO 0.48 0.04 0.70 0.78 -1.33 0.00 0.00 177.39 178.06 1og0 h ASN 209 N 0.00 -0.77 -0.57 -1.43 4.21 -1.97 0.71 115.58 115.77 1og0 h ASN 209 Ca 0.00 0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1og0 h ASN 209 Cb 0.80 0.49 -0.03 0.00 -1.12 0.00 0.00 38.32 38.46 1og0 h ASN 209 CO 0.00 -0.26 0.35 -0.37 -1.29 0.00 0.00 177.43 175.86 1og0 h VAL 210 N -0.01 1.16 -0.01 2.81 -1.51 -1.97 -0.09 116.25 116.63 1og0 h VAL 210 Ca 0.36 -0.36 -0.20 0.00 -1.23 0.00 0.00 66.70 65.27 1og0 h VAL 210 Cb 0.56 0.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1og0 h VAL 210 CO -0.79 0.17 -0.86 0.00 -1.23 0.00 0.00 177.57 174.86 1og0 h ALA 211 N 1.59 0.51 -0.38 5.19 0.00 -1.20 -1.55 119.26 123.42 1og0 h ALA 211 Ca 0.21 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1og0 h ALA 211 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1og0 h ALA 211 CO -0.04 0.86 -0.10 0.28 0.00 0.00 0.00 179.25 180.25 1og0 h VAL 212 N 0.16 1.28 -0.44 0.00 2.07 -0.51 -2.16 116.25 116.65 1og0 h VAL 212 Ca -0.05 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 1og0 h VAL 212 Cb 1.48 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1og0 h VAL 212 CO 0.14 0.40 0.02 0.44 0.02 0.00 0.00 177.57 178.59 1og0 h ASP 213 N 0.55 0.66 -0.15 0.57 3.32 -0.97 -2.15 116.42 118.24 1og0 h ASP 213 Ca 0.10 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1og0 h ASP 213 Cb 0.62 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1og0 h ASP 213 CO 0.04 0.71 0.10 0.00 -1.72 0.00 0.00 179.24 178.37 1og0 h ALA 214 N 1.37 0.19 -0.79 3.45 0.00 -1.04 -0.17 119.26 122.27 1og0 h ALA 214 Ca 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1og0 h ALA 214 Cb 0.37 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1og0 h ALA 214 CO 0.01 -0.32 0.52 0.00 0.00 0.00 0.00 179.25 179.47 1og0 h GLN 216 N 1.06 0.10 -0.33 0.00 1.08 -1.05 -2.71 115.11 113.27 1og0 h GLN 216 Ca 0.29 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 1og0 h GLN 216 Cb -0.10 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1og0 h GLN 216 CO -0.07 0.15 0.15 0.00 -0.95 0.00 0.00 178.83 178.11 1og0 h ALA 217 N 0.95 0.42 0.00 3.87 0.00 -0.65 -2.55 119.26 121.30 1og0 h ALA 217 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1og0 h ALA 217 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1og0 h ALA 217 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1og0 n ALA 218 N -2.26 1.22 0.29 0.00 0.00 0.49 -1.39 120.51 118.86 1og0 n ALA 218 Ca -0.01 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1og0 n ALA 218 Cb 0.12 -1.30 0.21 0.00 0.00 0.00 0.00 19.45 18.48 1og0 n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1og0 h ALA 219 N 2.09 0.99 -1.93 0.00 0.00 -1.12 0.34 119.26 119.63 1og0 h ALA 219 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1og0 h ALA 219 Cb 0.10 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.97 1og0 h ALA 219 CO 0.00 0.00 0.14 -1.01 0.00 0.00 0.00 179.25 178.38 1og0 s HIS 220 N -3.19 2.48 0.00 0.00 3.76 -0.49 -3.91 115.29 113.94 1og0 s HIS 220 Ca 0.08 0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.93 1og0 s HIS 220 Cb 0.06 -3.11 -0.06 0.00 1.11 0.00 0.00 32.58 30.59 1og0 s HIS 220 CO 0.66 -1.44 0.57 0.45 -0.85 0.00 0.00 174.74 174.13 1og0 s SER 221 N -4.58 6.96 0.19 1.40 0.15 -1.26 -3.61 113.70 112.95 1og0 s SER 221 Ca 0.62 1.14 0.07 0.00 0.70 0.00 0.00 55.95 58.48 1og0 s SER 221 Cb -0.09 -2.35 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1og0 s SER 221 CO 0.44 0.14 -0.14 -1.00 1.20 0.00 0.00 173.24 173.88 1og0 s HIS 222 N -0.37 1.62 -0.32 3.44 3.76 -1.25 -4.92 115.29 117.24 1og0 s HIS 222 Ca 0.30 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1og0 s HIS 222 Cb -0.18 -0.77 0.10 0.00 1.11 0.00 0.00 32.58 32.84 1og0 s HIS 222 CO 0.17 0.30 0.05 -1.01 -0.85 0.00 0.00 174.74 173.39 1og0 s HIS 223 N -2.96 3.08 0.30 1.40 3.76 -1.26 -0.65 115.29 118.96 1og0 s HIS 223 Ca 0.20 -2.54 0.02 0.00 -0.15 0.00 0.00 55.06 52.59 1og0 s HIS 223 Cb -0.01 -2.46 -0.01 0.00 1.11 0.00 0.00 32.58 31.22 1og0 s HIS 223 CO 0.05 -0.91 0.07 1.97 -0.85 0.00 0.00 174.74 175.07 1og0 n PHE 224 N 4.45 0.30 -4.11 1.40 1.16 -0.81 -4.93 117.46 114.91 1og0 n PHE 224 Ca 0.00 -1.78 -0.35 0.00 -1.87 0.00 0.00 57.45 53.46 1og0 n PHE 224 Cb 0.42 -0.07 -0.13 0.00 -1.61 0.00 0.00 39.48 38.09 1og0 n PHE 224 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1og0 s MET 225 N -3.12 3.47 0.00 3.97 -1.94 -1.26 0.78 119.30 121.19 1og0 s MET 225 Ca 0.10 -0.60 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1og0 s MET 225 Cb 0.00 -2.97 0.00 0.00 2.01 0.00 0.00 34.83 33.88 1og0 s MET 225 CO 0.07 -0.05 0.00 0.45 -0.01 0.00 0.00 175.02 175.48 1og0 n SER 226 N 4.37 0.30 -4.49 3.03 2.88 -0.93 -4.96 113.62 113.83 1og0 n SER 226 Ca -0.18 -0.80 -0.30 0.00 -1.33 0.00 0.00 58.87 56.26 1og0 n SER 226 Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 1og0 n SER 226 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1og0 s VAL 227 N -1.62 2.89 1.01 2.46 -7.23 -1.26 -1.16 120.40 115.49 1og0 s VAL 227 Ca 0.00 -1.36 -0.17 0.00 -1.81 0.00 0.00 61.98 58.64 1og0 s VAL 227 Cb 0.00 -2.29 0.22 0.00 0.56 0.00 0.00 36.38 34.87 1og0 s VAL 227 CO 0.00 0.18 1.31 0.42 -0.31 0.00 0.00 175.10 176.70 1og0 s THR 228 N -1.07 1.94 0.60 5.32 -4.23 0.12 -4.87 115.64 113.45 1og0 s THR 228 Ca 0.17 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.06 1og0 s THR 228 Cb -0.11 -2.93 0.40 0.00 1.34 0.00 0.00 72.50 71.20 1og0 s THR 228 CO 0.09 0.00 2.30 0.11 -0.54 0.00 0.00 174.62 176.58 1og0 h LYS 229 N -1.82 0.00 -0.60 3.99 1.79 -1.94 -1.65 116.57 116.34 1og0 h LYS 229 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1og0 h LYS 229 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1og0 h LYS 229 CO 0.35 0.01 0.00 0.72 -1.08 0.00 0.00 179.45 179.45 1og0 n HIS 230 N -3.40 1.02 -1.09 -1.35 8.25 -1.26 0.22 115.22 117.61 1og0 n HIS 230 Ca -0.03 -0.42 -0.03 0.00 -0.26 0.00 0.00 57.72 56.98 1og0 n HIS 230 Cb 0.09 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1og0 n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1og0 n GLY 231 N 1.02 0.63 3.70 -1.41 0.00 -0.62 -4.89 105.19 103.62 1og0 n GLY 231 Ca 0.19 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1og0 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og0 s VAL 232 N -2.05 4.17 0.20 1.61 1.01 -1.26 -4.84 120.40 119.24 1og0 s VAL 232 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1og0 s VAL 232 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1og0 s VAL 232 CO 0.00 0.27 1.15 0.00 0.00 0.00 0.00 175.10 176.53 1og0 s ALA 233 N -1.19 3.41 0.15 5.51 0.00 -1.26 0.12 121.76 128.50 1og0 s ALA 233 Ca 0.22 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 1og0 s ALA 233 Cb -0.12 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1og0 s ALA 233 CO 0.14 -0.30 0.37 0.00 0.00 0.00 0.00 175.76 175.97 1og0 s ALA 234 N -0.26 -0.56 -0.49 0.00 0.00 -0.30 -4.89 121.76 115.26 1og0 s ALA 234 Ca 0.51 -0.42 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 1og0 s ALA 234 Cb -0.32 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.59 1og0 s ALA 234 CO 0.37 -0.67 0.95 0.42 0.00 0.00 0.00 175.76 176.83 1og0 s ILE 235 N -3.88 4.42 0.26 0.00 1.01 -1.26 -2.18 121.20 119.57 1og0 s ILE 235 Ca 0.09 0.65 -0.14 0.00 0.00 0.00 0.00 60.65 61.25 1og0 s ILE 235 Cb 0.02 -4.48 -0.08 0.00 0.01 0.00 0.00 42.46 37.92 1og0 s ILE 235 CO -0.06 -0.94 0.67 -0.89 0.00 0.00 0.00 174.94 173.72 1og0 s THR 236 N 3.89 4.74 -0.12 2.92 2.01 0.23 -4.93 115.64 124.39 1og0 s THR 236 Ca 0.36 0.87 -0.01 0.00 0.31 0.00 0.00 61.69 63.22 1og0 s THR 236 Cb -0.10 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1og0 s THR 236 CO 0.25 -0.05 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.19 1og0 s THR 237 N -1.81 0.91 0.33 -0.82 2.01 -1.26 -1.93 115.64 113.07 1og0 s THR 237 Ca 0.49 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 62.22 1og0 s THR 237 Cb -0.12 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1og0 s THR 237 CO 0.19 0.30 0.54 0.42 -0.69 0.00 0.00 174.62 175.37 1og0 s THR 238 N 1.75 5.11 -0.06 -0.82 -4.23 0.17 -4.96 115.64 112.60 1og0 s THR 238 Ca 0.04 -0.42 0.14 0.00 -1.18 0.00 0.00 61.69 60.27 1og0 s THR 238 Cb -0.13 -3.84 -0.18 0.00 1.34 0.00 0.00 72.50 69.68 1og0 s THR 238 CO -0.08 -0.51 0.80 0.50 -0.54 0.00 0.00 174.62 174.79 1og0 h LYS 239 N 0.93 0.00 0.00 3.99 3.64 -1.87 -3.33 116.57 119.94 1og0 h LYS 239 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1og0 h LYS 239 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1og0 h LYS 239 CO 0.62 0.46 0.00 0.41 -2.27 0.00 0.00 179.45 178.67 1og0 n GLY 240 N 1.47 2.74 3.20 5.01 0.00 -0.57 -4.37 105.19 112.67 1og0 n GLY 240 Ca -0.12 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 1og0 n GLY 240 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1og0 s ASN 241 N 0.00 3.66 0.00 1.61 3.84 0.12 -4.86 114.94 119.31 1og0 s ASN 241 Ca 0.00 -0.56 0.22 0.00 0.21 0.00 0.00 52.86 52.73 1og0 s ASN 241 Cb 0.00 -1.59 0.51 0.00 -0.55 0.00 0.00 41.25 39.62 1og0 s ASN 241 CO 0.00 -0.02 1.44 -1.84 -2.79 0.00 0.00 177.10 173.89 1og0 n GLU 242 N 4.69 2.32 -1.88 0.43 0.00 -1.26 -3.49 120.64 121.45 1og0 n GLU 242 Ca -0.20 -2.00 -0.32 0.00 0.00 0.00 0.00 57.16 54.64 1og0 n GLU 242 Cb 0.50 -1.48 0.04 0.00 0.00 0.00 0.00 31.44 30.50 1og0 n GLU 242 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1og0 n HIS 243 N 1.20 3.09 -4.17 -1.84 8.25 -1.26 -4.97 115.22 115.52 1og0 n HIS 243 Ca 0.19 -2.68 -0.34 0.00 -0.26 0.00 0.00 57.72 54.63 1og0 n HIS 243 Cb 0.53 -0.85 -0.11 0.00 1.12 0.00 0.00 29.99 30.68 1og0 n HIS 243 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1og0 s PHE 245 N 0.45 1.92 -0.11 0.00 -0.71 -0.72 -4.68 117.98 114.13 1og0 s PHE 245 Ca -0.00 -1.05 -0.08 0.00 -1.04 0.00 0.00 56.93 54.77 1og0 s PHE 245 Cb -0.13 -1.28 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 1og0 s PHE 245 CO 0.02 -0.06 0.17 0.08 -1.34 0.00 0.00 175.22 174.09 1og0 s VAL 246 N -3.23 5.46 -0.14 -2.49 1.01 -1.26 -0.91 120.40 118.84 1og0 s VAL 246 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1og0 s VAL 246 Cb 0.07 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1og0 s VAL 246 CO 0.14 0.62 -0.15 -0.63 0.00 0.00 0.00 175.10 175.08 1og0 s ILE 247 N -1.03 2.84 -0.25 2.22 1.01 -0.33 -0.79 121.20 124.87 1og0 s ILE 247 Ca 0.16 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1og0 s ILE 247 Cb -0.12 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1og0 s ILE 247 CO 0.05 0.52 0.44 -0.76 0.00 0.00 0.00 174.94 175.19 1og0 s LEU 248 N 0.53 4.06 -0.03 2.97 1.43 0.29 -2.08 118.68 125.85 1og0 s LEU 248 Ca -0.09 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 1og0 s LEU 248 Cb -0.16 -2.55 0.14 0.00 0.03 0.00 0.00 46.19 43.65 1og0 s LEU 248 CO 0.04 -0.21 1.06 -2.11 0.23 0.00 0.00 176.35 175.36 1og0 n ARG 249 N 5.28 0.31 0.00 1.70 -4.01 -1.26 -0.14 116.66 118.54 1og0 n ARG 249 Ca -0.06 -1.55 0.00 0.00 -1.04 0.00 0.00 57.85 55.20 1og0 n ARG 249 Cb 0.50 -0.66 0.00 0.00 -3.04 0.00 0.00 32.46 29.26 1og0 n ARG 249 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1og0 n GLY 250 N -0.24 -2.11 0.00 2.89 0.00 -1.26 -1.56 105.19 102.91 1og0 n GLY 250 Ca 0.05 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1og0 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1og0 n GLY 251 N -0.07 -0.83 0.06 -0.02 0.00 -1.09 -4.13 105.19 99.10 1og0 n GLY 251 Ca 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.62 1og0 n GLY 251 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1og0 n LYS 252 N -0.14 0.05 -1.21 1.61 5.02 -1.06 -0.67 118.16 121.76 1og0 n LYS 252 Ca 0.00 0.49 -0.23 0.00 -2.02 0.00 0.00 58.31 56.56 1og0 n LYS 252 Cb 0.00 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 33.41 1og0 n LYS 252 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1og0 n LYS 253 N -1.71 2.34 -0.27 1.97 5.02 -1.19 -4.92 118.16 119.40 1og0 n LYS 253 Ca -0.00 -3.18 0.04 0.00 -2.02 0.00 0.00 58.31 53.14 1og0 n LYS 253 Cb 0.11 -2.14 -0.01 0.00 -0.02 0.00 0.00 35.03 32.97 1og0 n LYS 253 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1og0 n GLY 254 N -1.07 -1.65 3.53 0.72 0.00 0.16 -4.90 105.19 101.98 1og0 n GLY 254 Ca 0.54 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1og0 n GLY 254 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1og0 s THR 255 N -1.62 1.56 -0.19 2.61 -4.23 -1.26 -2.68 115.64 109.82 1og0 s THR 255 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1og0 s THR 255 Cb 0.00 -2.38 0.30 0.00 1.34 0.00 0.00 72.50 71.76 1og0 s THR 255 CO 0.00 0.00 1.29 -0.46 -0.54 0.00 0.00 174.62 174.91 1og0 n ASN 256 N -4.93 -0.67 -0.90 3.99 0.23 -1.26 -4.85 115.26 106.86 1og0 n ASN 256 Ca 0.12 -2.10 0.12 0.00 -0.53 0.00 0.00 54.58 52.19 1og0 n ASN 256 Cb 0.59 0.32 0.16 0.00 -2.08 0.00 0.00 39.78 38.77 1og0 n ASN 256 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1og0 n TYR 257 N -0.76 0.01 -2.94 -2.53 0.18 -1.26 -4.33 117.16 105.53 1og0 n TYR 257 Ca -0.15 -0.01 -0.31 0.00 1.88 0.00 0.00 57.90 59.31 1og0 n TYR 257 Cb 0.84 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.76 1og0 n TYR 257 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1og0 s ASP 258 N -1.99 6.63 0.28 9.48 -4.77 -1.26 -4.61 116.67 120.44 1og0 s ASP 258 Ca 0.30 1.23 -0.02 0.00 -3.30 0.00 0.00 52.55 50.76 1og0 s ASP 258 Cb 0.20 -2.36 0.63 0.00 -1.09 0.00 0.00 42.92 40.30 1og0 s ASP 258 CO 0.31 -0.33 1.60 0.00 0.70 0.00 0.00 175.17 177.44 1og0 h ALA 259 N 1.64 1.02 0.20 2.11 0.00 -1.93 0.27 119.26 122.58 1og0 h ALA 259 Ca -0.47 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1og0 h ALA 259 Cb 1.18 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1og0 h ALA 259 CO 0.64 -0.50 -0.21 -0.22 0.00 0.00 0.00 179.25 178.96 1og0 h LYS 260 N 0.06 -0.43 -0.91 0.00 3.64 -1.97 0.45 116.57 117.40 1og0 h LYS 260 Ca 0.53 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.93 1og0 h LYS 260 Cb 1.03 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 1og0 h LYS 260 CO -0.82 -0.29 0.56 0.77 -2.27 0.00 0.00 179.45 177.41 1og0 h SER 261 N -0.44 1.09 0.24 4.20 0.02 -1.33 -0.34 113.55 116.98 1og0 h SER 261 Ca 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1og0 h SER 261 Cb 0.42 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1og0 h SER 261 CO -0.06 0.83 -0.12 0.58 -1.14 0.00 0.00 176.83 176.92 1og0 h VAL 262 N 1.25 0.76 -0.80 2.27 2.07 -0.00 0.38 116.25 122.19 1og0 h VAL 262 Ca 0.33 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.87 1og0 h VAL 262 Cb -0.07 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1og0 h VAL 262 CO -0.06 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.04 1og0 h ALA 263 N 0.43 1.04 -0.42 1.67 0.00 0.20 -0.43 119.26 121.75 1og0 h ALA 263 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1og0 h ALA 263 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1og0 h ALA 263 CO 0.05 0.35 -0.03 1.49 0.00 0.00 0.00 179.25 181.11 1og0 h GLU 264 N 1.01 0.70 -0.18 0.00 4.81 -0.87 -1.91 114.58 118.15 1og0 h GLU 264 Ca 0.31 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1og0 h GLU 264 Cb -0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1og0 h GLU 264 CO -0.10 0.74 0.10 0.00 -0.73 0.00 0.00 179.01 179.02 1og0 h ALA 265 N 1.32 0.22 -0.69 2.92 0.00 0.31 -2.97 119.26 120.37 1og0 h ALA 265 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1og0 h ALA 265 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1og0 h ALA 265 CO 0.02 -0.25 0.31 0.87 0.00 0.00 0.00 179.25 180.19 1og0 h LYS 266 N 0.19 1.01 0.00 0.00 1.57 -0.86 -0.78 116.57 117.70 1og0 h LYS 266 Ca 0.06 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1og0 h LYS 266 Cb 0.05 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1og0 h LYS 266 CO -0.01 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 1og0 n ALA 267 N -2.38 1.72 0.34 3.86 0.00 -0.74 -0.86 120.51 122.44 1og0 n ALA 267 Ca 0.05 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1og0 n ALA 267 Cb 0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 1og0 n ALA 267 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1og0 n GLN 268 N -1.07 1.59 -2.75 0.00 6.02 -0.31 -4.98 117.38 115.87 1og0 n GLN 268 Ca 0.05 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1og0 n GLN 268 Cb 0.03 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 1og0 n GLN 268 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1og0 s LEU 269 N -3.24 4.38 1.27 1.08 1.43 -0.04 -5.04 118.68 118.52 1og0 s LEU 269 Ca 0.00 1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 54.56 1og0 s LEU 269 Cb 0.09 -3.51 0.31 0.00 0.03 0.00 0.00 46.19 43.11 1og0 s LEU 269 CO 0.56 -0.22 0.86 -0.81 0.23 0.00 0.00 176.35 176.98 1og0 n PRO 270 N 3.73 -3.19 -1.67 1.29 -0.04 -1.26 -4.85 135.00 129.02 1og0 n PRO 270 Ca 0.05 -0.92 -0.51 0.00 -0.04 0.00 0.00 63.50 62.07 1og0 n PRO 270 Cb 0.51 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 1og0 n PRO 270 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1og0 n ALA 271 N -5.22 0.31 -3.60 0.55 0.00 -1.26 -3.22 120.51 108.07 1og0 n ALA 271 Ca 0.05 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.64 1og0 n ALA 271 Cb 0.56 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.71 1og0 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1og0 n GLY 272 N 3.80 -0.97 0.96 0.00 0.00 -1.26 -4.99 105.19 102.73 1og0 n GLY 272 Ca 0.22 0.75 -0.06 0.00 0.00 0.00 0.00 46.02 46.93 1og0 n GLY 272 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1og0 n SER 273 N -1.87 0.34 -4.73 1.61 7.64 -1.20 -5.11 113.62 110.29 1og0 n SER 273 Ca -0.21 -1.28 -0.23 0.00 1.01 0.00 0.00 58.87 58.15 1og0 n SER 273 Cb 0.66 -0.16 0.09 0.00 -1.01 0.00 0.00 64.21 63.79 1og0 n SER 273 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1og0 s ASN 274 N -2.01 4.51 1.35 6.43 0.02 -1.26 -4.97 114.94 119.02 1og0 s ASN 274 Ca 0.16 -0.25 -0.21 0.00 -1.02 0.00 0.00 52.86 51.54 1og0 s ASN 274 Cb -0.01 -0.22 0.34 0.00 0.02 0.00 0.00 41.25 41.38 1og0 s ASN 274 CO 0.11 -1.74 0.98 -0.83 0.02 0.00 0.00 177.10 175.64 1og0 s GLY 275 N -4.67 1.47 -0.06 0.66 0.00 0.22 -4.89 107.32 100.05 1og0 s GLY 275 Ca 0.64 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 44.59 1og0 s GLY 275 CO 0.43 0.16 -0.12 1.08 0.00 0.00 0.00 173.10 174.66 1og0 s LEU 276 N -7.58 2.89 -0.06 0.66 1.43 0.01 -4.07 118.68 111.97 1og0 s LEU 276 Ca 0.69 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1og0 s LEU 276 Cb -0.13 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1og0 s LEU 276 CO 0.58 0.35 -0.10 -0.32 0.23 0.00 0.00 176.35 177.10 1og0 s MET 277 N -0.76 2.64 -0.21 1.70 -2.45 0.03 -1.71 119.30 118.54 1og0 s MET 277 Ca 0.12 -0.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1og0 s MET 277 Cb -0.11 -2.51 0.01 0.00 1.25 0.00 0.00 34.83 33.48 1og0 s MET 277 CO 0.01 0.65 -0.11 0.42 1.05 0.00 0.00 175.02 177.03 1og0 s ILE 278 N -0.79 2.68 -0.45 10.11 1.01 -0.48 0.10 121.20 133.38 1og0 s ILE 278 Ca 0.12 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1og0 s ILE 278 Cb -0.11 -2.24 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1og0 s ILE 278 CO 0.01 0.40 0.78 -0.62 0.00 0.00 0.00 174.94 175.51 1og0 s ASP 279 N 1.35 6.40 0.09 3.58 2.15 0.80 -0.78 116.67 130.26 1og0 s ASP 279 Ca 0.04 -0.15 0.10 0.00 0.43 0.00 0.00 52.55 52.97 1og0 s ASP 279 Cb -0.14 -2.38 0.48 0.00 -0.30 0.00 0.00 42.92 40.57 1og0 s ASP 279 CO -0.08 -0.92 1.31 -1.22 -0.17 0.00 0.00 175.17 174.09 1og0 n TYR 280 N 6.71 0.24 -2.69 -5.34 4.02 -0.65 -4.50 117.16 114.95 1og0 n TYR 280 Ca 0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1og0 n TYR 280 Cb 0.48 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1og0 n TYR 280 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1og0 n SER 281 N -1.73 1.05 0.00 7.72 7.64 -1.26 -3.58 113.62 123.45 1og0 n SER 281 Ca 0.01 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1og0 n SER 281 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1og0 n SER 281 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1og0 n HIS 282 N -0.08 0.00 -0.33 1.43 8.25 -1.26 -1.83 115.22 121.40 1og0 n HIS 282 Ca 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.73 1og0 n HIS 282 Cb 0.00 0.00 0.52 0.00 1.12 0.00 0.00 29.99 31.63 1og0 n HIS 282 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1og0 h GLY 283 N 0.00 2.14 1.36 -1.41 0.00 -1.61 0.03 103.07 103.59 1og0 h GLY 283 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1og0 h GLY 283 CO 0.00 -0.61 -0.02 0.70 0.00 0.00 0.00 176.54 176.61 1og0 n ASN 284 N -5.12 0.08 -0.00 0.19 3.02 -0.76 -2.83 115.26 109.83 1og0 n ASN 284 Ca 0.34 -0.36 0.07 0.00 -0.03 0.00 0.00 54.58 54.61 1og0 n ASN 284 Cb 1.10 -0.20 -0.10 0.00 -0.61 0.00 0.00 39.78 39.97 1og0 n ASN 284 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1og0 n SER 285 N -1.18 1.09 -1.21 6.41 2.88 -0.05 -4.83 113.62 116.74 1og0 n SER 285 Ca 0.16 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 1og0 n SER 285 Cb 0.23 1.31 0.00 0.00 -0.75 0.00 0.00 64.21 65.00 1og0 n SER 285 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1og0 n ASN 286 N -1.65 -1.90 0.00 -3.46 2.04 -0.89 -1.88 115.26 107.51 1og0 n ASN 286 Ca 0.00 0.14 0.00 0.00 -0.44 0.00 0.00 54.58 54.28 1og0 n ASN 286 Cb 0.30 -0.44 0.00 0.00 -2.53 0.00 0.00 39.78 37.11 1og0 n ASN 286 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1og0 n LYS 287 N 0.82 0.00 -3.59 -3.83 4.01 -1.26 -4.92 118.16 109.39 1og0 n LYS 287 Ca 0.00 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.53 1og0 n LYS 287 Cb 0.12 -3.68 -0.16 0.00 -0.51 0.00 0.00 35.03 30.80 1og0 n LYS 287 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1og0 s ASP 288 N -2.38 2.81 0.01 4.39 -1.08 -0.79 -4.99 116.67 114.65 1og0 s ASP 288 Ca 0.00 -0.88 0.02 0.00 -0.52 0.00 0.00 52.55 51.18 1og0 s ASP 288 Cb 0.00 -0.30 0.11 0.00 -1.46 0.00 0.00 42.92 41.28 1og0 s ASP 288 CO 0.00 -0.38 1.08 2.22 0.52 0.00 0.00 175.17 178.60 1og0 n PHE 289 N 5.26 0.03 1.15 -5.34 -1.74 -1.26 -0.78 117.46 114.78 1og0 n PHE 289 Ca -0.07 0.01 0.14 0.00 -0.56 0.00 0.00 57.45 56.97 1og0 n PHE 289 Cb 0.46 -0.52 0.53 0.00 1.52 0.00 0.00 39.48 41.47 1og0 n PHE 289 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1og0 n ARG 290 N -1.53 0.24 0.00 3.97 1.74 -1.26 -3.29 116.66 116.53 1og0 n ARG 290 Ca 0.00 -0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.13 1og0 n ARG 290 Cb 0.02 -1.50 0.73 0.00 -1.02 0.00 0.00 32.46 30.70 1og0 n ARG 290 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1og0 n ASN 291 N -1.32 0.00 -0.09 0.55 3.02 0.04 -3.67 115.26 113.79 1og0 n ASN 291 Ca 0.09 -1.10 -0.14 0.00 -0.03 0.00 0.00 54.58 53.40 1og0 n ASN 291 Cb 0.31 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1og0 n ASN 291 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1og0 h GLN 292 N 0.00 0.86 0.00 3.52 4.20 -1.75 0.30 115.11 122.24 1og0 h GLN 292 Ca 0.00 -0.51 -0.10 0.00 0.06 0.00 0.00 58.65 58.10 1og0 h GLN 292 Cb 0.00 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1og0 h GLN 292 CO 0.00 1.15 -0.48 -1.35 -0.67 0.00 0.00 178.83 177.48 1og0 h PRO 293 N 0.65 0.00 0.40 1.46 0.11 -1.85 -1.39 132.00 131.38 1og0 h PRO 293 Ca 0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1og0 h PRO 293 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1og0 h PRO 293 CO 0.11 0.48 -0.20 -0.22 -0.21 0.00 0.00 178.00 177.96 1og0 h LYS 294 N 0.00 -0.53 -0.95 1.05 1.63 -1.67 -2.28 116.57 113.81 1og0 h LYS 294 Ca -0.00 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1og0 h LYS 294 Cb 0.87 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.57 1og0 h LYS 294 CO 0.06 -0.36 0.63 0.28 -3.45 0.00 0.00 179.45 176.62 1og0 h VAL 295 N -0.55 1.23 -0.32 2.00 2.07 -0.78 -2.89 116.25 117.01 1og0 h VAL 295 Ca -0.05 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1og0 h VAL 295 Cb 0.43 -0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 29.97 1og0 h VAL 295 CO 0.08 0.23 -0.19 -1.13 0.02 0.00 0.00 177.57 176.58 1og0 h ASN 296 N 1.27 -0.64 -0.65 0.57 -1.24 -0.83 -0.59 115.58 113.48 1og0 h ASN 296 Ca 0.36 0.14 0.03 0.00 0.71 0.00 0.00 56.30 57.53 1og0 h ASN 296 Cb -0.11 0.33 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 1og0 h ASN 296 CO -0.09 -0.23 0.40 0.44 -1.29 0.00 0.00 177.43 176.66 1og0 h ASP 297 N -0.15 0.65 0.27 1.15 3.32 -1.21 0.91 116.42 121.35 1og0 h ASP 297 Ca 0.17 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1og0 h ASP 297 Cb 0.41 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1og0 h ASP 297 CO -0.41 0.45 -0.21 0.58 -1.72 0.00 0.00 179.24 177.93 1og0 h VAL 298 N 0.78 1.02 0.12 -1.35 2.07 -1.30 0.17 116.25 117.77 1og0 h VAL 298 Ca 0.26 -0.74 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 1og0 h VAL 298 Cb 0.03 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1og0 h VAL 298 CO -0.11 0.20 -1.12 0.58 0.02 0.00 0.00 177.57 177.15 1og0 h VAL 299 N 0.00 1.26 -0.22 2.57 2.07 0.04 -3.19 116.25 118.78 1og0 h VAL 299 Ca -0.00 -2.46 0.06 0.00 0.82 0.00 0.00 66.70 65.12 1og0 h VAL 299 Cb 0.40 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 33.03 1og0 h VAL 299 CO 0.03 0.70 -0.31 0.00 0.02 0.00 0.00 177.57 178.00 1og0 h GLU 301 N -0.33 -0.12 -0.27 0.00 4.81 -1.09 0.72 114.58 118.29 1og0 h GLU 301 Ca 0.12 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1og0 h GLU 301 Cb 0.53 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1og0 h GLU 301 CO -0.41 -0.08 0.08 1.96 -0.73 0.00 0.00 179.01 179.83 1og0 h GLN 302 N -0.12 0.19 0.07 1.92 4.20 -1.39 -0.65 115.11 119.33 1og0 h GLN 302 Ca 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1og0 h GLN 302 Cb 0.41 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1og0 h GLN 302 CO -0.46 0.13 -0.08 0.82 -0.67 0.00 0.00 178.83 178.57 1og0 h ILE 303 N 0.20 0.00 -0.93 2.54 2.04 0.60 -1.66 117.51 120.29 1og0 h ILE 303 Ca 0.12 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.24 1og0 h ILE 303 Cb 0.10 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.02 1og0 h ILE 303 CO -0.14 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.09 1og0 h ALA 304 N -1.62 1.16 0.00 1.87 0.00 0.48 0.34 119.26 121.49 1og0 h ALA 304 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1og0 h ALA 304 Cb 0.13 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1og0 h ALA 304 CO -0.01 -0.54 0.00 0.09 0.00 0.00 0.00 179.25 178.79 1og0 n ASN 305 N -5.42 0.00 0.00 0.00 3.02 -0.26 -3.73 115.26 108.87 1og0 n ASN 305 Ca 0.22 -1.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.21 1og0 n ASN 305 Cb 0.72 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1og0 n ASN 305 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1og0 n GLY 306 N 0.42 1.38 3.67 7.41 0.00 0.12 -5.06 105.19 113.14 1og0 n GLY 306 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1og0 n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1og0 s GLU 307 N -0.12 4.32 0.00 1.61 2.56 -0.64 -4.90 118.70 121.53 1og0 s GLU 307 Ca 0.00 1.28 0.14 0.00 0.00 0.00 0.00 54.97 56.38 1og0 s GLU 307 Cb 0.00 -3.60 -0.07 0.00 2.00 0.00 0.00 34.13 32.46 1og0 s GLU 307 CO 0.00 -0.46 0.67 0.09 -0.56 0.00 0.00 175.26 175.00 1og0 n ASN 308 N 5.66 1.06 0.22 -1.70 3.02 -1.26 -4.37 115.26 117.88 1og0 n ASN 308 Ca 0.09 -1.03 0.12 0.00 -0.03 0.00 0.00 54.58 53.73 1og0 n ASN 308 Cb 0.48 0.74 0.22 0.00 -0.61 0.00 0.00 39.78 40.60 1og0 n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1og0 h ALA 309 N 2.17 0.99 -1.57 5.41 0.00 -1.96 -3.40 119.26 120.89 1og0 h ALA 309 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.28 1og0 h ALA 309 Cb 0.40 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.06 1og0 h ALA 309 CO 0.00 0.03 0.73 0.42 0.00 0.00 0.00 179.25 180.43 1og0 s ILE 310 N -3.25 4.16 -0.11 0.00 1.01 -1.26 -0.81 121.20 120.95 1og0 s ILE 310 Ca 0.06 -0.21 0.20 0.00 0.00 0.00 0.00 60.65 60.70 1og0 s ILE 310 Cb 0.06 -4.77 -0.24 0.00 0.01 0.00 0.00 42.46 37.52 1og0 s ILE 310 CO 0.66 -1.59 0.54 0.35 0.00 0.00 0.00 174.94 174.90 1og0 n THR 311 N 6.06 0.56 -4.03 2.92 -2.24 -0.70 -4.91 114.28 111.94 1og0 n THR 311 Ca 0.00 -0.61 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 1og0 n THR 311 Cb 0.47 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1og0 n THR 311 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1og0 s GLY 312 N -4.73 0.69 0.01 3.38 0.00 -1.08 -0.34 107.32 105.25 1og0 s GLY 312 Ca -0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.54 1og0 s GLY 312 CO 0.86 -0.79 0.19 -1.34 0.00 0.00 0.00 173.10 172.02 1og0 s VAL 313 N -4.04 0.09 -0.04 1.40 -7.23 -0.35 -1.38 120.40 108.84 1og0 s VAL 313 Ca 0.25 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1og0 s VAL 313 Cb 0.01 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 1og0 s VAL 313 CO 0.08 -0.39 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.40 1og0 s MET 314 N -1.76 2.75 -0.10 4.82 -1.94 0.04 -1.56 119.30 121.55 1og0 s MET 314 Ca -0.11 -0.58 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1og0 s MET 314 Cb -0.05 -2.62 0.05 0.00 2.01 0.00 0.00 34.83 34.22 1og0 s MET 314 CO 0.00 0.65 0.20 0.42 -0.01 0.00 0.00 175.02 176.28 1og0 s ILE 315 N -0.92 -0.24 -0.52 2.53 1.01 -0.82 -1.64 121.20 120.60 1og0 s ILE 315 Ca 0.15 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.87 1og0 s ILE 315 Cb -0.11 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 42.07 1og0 s ILE 315 CO 0.05 0.12 0.70 -1.61 0.00 0.00 0.00 174.94 174.20 1og0 s GLU 316 N 2.01 3.17 0.18 2.79 2.02 -1.26 -1.87 118.70 125.74 1og0 s GLU 316 Ca -0.01 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1og0 s GLU 316 Cb -0.12 -4.09 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 1og0 s GLU 316 CO -0.07 -1.30 -0.14 0.45 0.02 0.00 0.00 175.26 174.22 1og0 s SER 317 N 2.77 2.39 0.35 -0.19 0.15 -0.14 -2.79 113.70 116.24 1og0 s SER 317 Ca 0.18 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 55.79 1og0 s SER 317 Cb -0.18 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1og0 s SER 317 CO 0.13 -0.17 0.59 0.21 1.20 0.00 0.00 173.24 175.21 1og0 s ASN 318 N -3.06 0.49 0.10 5.45 3.84 -1.03 0.79 114.94 121.51 1og0 s ASN 318 Ca 0.19 -1.30 -0.20 0.00 0.21 0.00 0.00 52.86 51.75 1og0 s ASN 318 Cb -0.02 0.73 -0.09 0.00 -0.55 0.00 0.00 41.25 41.32 1og0 s ASN 318 CO 0.05 -1.42 1.69 0.40 -2.79 0.00 0.00 177.10 175.02 1og0 h ILE 319 N 2.08 1.11 -3.62 -5.21 2.04 -1.88 -1.04 117.51 110.99 1og0 h ILE 319 Ca -0.29 -0.32 -0.64 0.00 1.00 0.00 0.00 64.86 64.61 1og0 h ILE 319 Cb 1.24 1.00 -0.20 0.00 -0.74 0.00 0.00 36.82 38.12 1og0 h ILE 319 CO 0.39 0.11 -0.84 0.20 0.00 0.00 0.00 178.15 178.00 1og0 s ASN 320 N -5.48 3.17 0.85 1.72 0.01 -0.31 -1.59 114.94 113.31 1og0 s ASN 320 Ca -0.13 -0.79 -0.12 0.00 -0.71 0.00 0.00 52.86 51.11 1og0 s ASN 320 Cb 0.07 -0.21 0.10 0.00 0.41 0.00 0.00 41.25 41.62 1og0 s ASN 320 CO 0.70 0.12 1.13 -1.83 -1.51 0.00 0.00 177.10 175.70 1og0 s GLU 321 N -2.30 1.68 2.08 -0.60 -1.05 -1.26 -4.43 118.70 112.83 1og0 s GLU 321 Ca 0.15 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 1og0 s GLU 321 Cb -0.09 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 1og0 s GLU 321 CO 0.07 -1.85 0.00 0.41 0.95 0.00 0.00 175.26 174.84 1og0 n GLY 322 N -2.37 0.24 2.41 -3.83 0.00 0.28 -4.86 105.19 97.06 1og0 n GLY 322 Ca 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 1og0 n GLY 322 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1og0 n ASN 323 N 1.55 -1.03 -3.51 1.61 6.94 -1.26 -0.95 115.26 118.60 1og0 n ASN 323 Ca 0.00 -1.51 -0.09 0.00 -0.02 0.00 0.00 54.58 52.96 1og0 n ASN 323 Cb 0.00 1.67 -0.03 0.00 -2.36 0.00 0.00 39.78 39.06 1og0 n ASN 323 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1og0 s GLN 324 N -2.03 0.80 0.79 -3.83 -2.07 -0.55 -4.88 119.66 107.88 1og0 s GLN 324 Ca 0.15 -0.21 -0.08 0.00 -1.82 0.00 0.00 55.36 53.40 1og0 s GLN 324 Cb -0.02 0.37 0.12 0.00 -1.09 0.00 0.00 33.01 32.39 1og0 s GLN 324 CO 0.03 -0.33 1.11 0.20 -1.32 0.00 0.00 175.29 174.97 1og0 s GLY 325 N -2.22 1.73 -0.24 2.60 0.00 -1.26 -4.45 107.32 103.48 1og0 s GLY 325 Ca 0.03 -1.16 -0.07 0.00 0.00 0.00 0.00 44.72 43.52 1og0 s GLY 325 CO -0.07 -0.61 0.06 -0.42 0.00 0.00 0.00 173.10 172.06 1og0 s ILE 326 N -3.43 4.32 0.00 0.90 1.09 -1.26 -4.93 121.20 117.90 1og0 s ILE 326 Ca 0.65 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 60.03 1og0 s ILE 326 Cb -0.08 -3.01 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 1og0 s ILE 326 CO 0.47 0.36 0.18 -2.65 -0.10 0.00 0.00 174.94 173.20 1og0 n PRO 327 N 4.74 0.00 0.00 2.79 -0.02 -1.26 -5.07 135.00 136.18 1og0 n PRO 327 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1og0 n PRO 327 Cb 0.52 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.36 1og0 n PRO 327 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1og0 n GLY 330 N 1.29 0.52 0.33 -1.23 0.00 -1.26 -5.05 105.19 99.80 1og0 n GLY 330 Ca 0.00 -0.02 0.25 0.00 0.00 0.00 0.00 46.02 46.25 1og0 n GLY 330 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1og0 h LYS 331 N 0.00 0.22 0.00 1.61 3.64 -1.79 0.31 116.57 120.55 1og0 h LYS 331 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1og0 h LYS 331 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1og0 h LYS 331 CO 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 179.45 177.32 1og0 h ALA 332 N 1.89 1.00 0.00 5.00 0.00 -1.93 -2.33 119.26 122.89 1og0 h ALA 332 Ca 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.65 1og0 h ALA 332 Cb 1.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1og0 h ALA 332 CO -0.66 0.00 -1.05 0.41 0.00 0.00 0.00 179.25 177.94 1og0 n GLY 333 N -0.71 -1.44 3.32 0.00 0.00 0.11 -4.95 105.19 101.52 1og0 n GLY 333 Ca -0.00 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1og0 n GLY 333 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1og0 n LEU 334 N -2.69 -2.03 -4.60 0.99 4.77 -0.88 -5.00 117.00 107.57 1og0 n LEU 334 Ca -0.01 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.56 1og0 n LEU 334 Cb 0.57 -1.03 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1og0 n LEU 334 CO 0.40 -3.15 -0.39 -0.75 -1.33 0.00 0.00 177.39 172.17 1og0 s LYS 335 N -3.64 2.39 0.39 3.23 2.20 -1.26 -5.09 119.74 117.96 1og0 s LYS 335 Ca 0.58 -0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 55.07 1og0 s LYS 335 Cb -0.15 -2.43 -0.10 0.00 -1.51 0.00 0.00 37.83 33.65 1og0 s LYS 335 CO 0.66 0.56 1.39 -0.47 -0.36 0.00 0.00 175.35 177.13 1og0 s TYR 336 N -1.12 2.71 -1.27 4.03 5.04 -1.26 -3.55 117.35 121.92 1og0 s TYR 336 Ca 0.20 1.30 -0.04 0.00 -2.44 0.00 0.00 57.07 56.09 1og0 s TYR 336 Cb -0.11 -3.85 0.02 0.00 0.35 0.00 0.00 41.96 38.37 1og0 s TYR 336 CO 0.11 -2.53 0.25 0.41 -1.34 0.00 0.00 175.55 172.45 1og0 n GLY 337 N 0.60 -0.50 3.04 8.97 0.00 -1.26 -4.77 105.19 111.27 1og0 n GLY 337 Ca 0.02 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1og0 n GLY 337 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1og0 s VAL 338 N -2.84 1.61 0.64 1.61 1.01 -1.23 -1.16 120.40 120.04 1og0 s VAL 338 Ca 0.17 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1og0 s VAL 338 Cb -0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1og0 s VAL 338 CO 0.21 0.46 0.78 -0.24 0.00 0.00 0.00 175.10 176.32 1og0 n SER 339 N 4.63 -0.08 -0.28 3.32 2.88 -1.26 -4.74 113.62 118.09 1og0 n SER 339 Ca -0.18 0.72 0.08 0.00 -1.33 0.00 0.00 58.87 58.17 1og0 n SER 339 Cb 0.50 -1.31 0.16 0.00 -0.75 0.00 0.00 64.21 62.81 1og0 n SER 339 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1og0 n ILE 340 N -2.01 1.92 0.00 2.46 -5.35 -1.26 -1.48 119.36 113.64 1og0 n ILE 340 Ca 0.13 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 60.08 1og0 n ILE 340 Cb 0.48 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1og0 n ILE 340 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1og0 n THR 341 N -1.27 0.00 -1.72 7.28 -2.24 -1.26 -4.77 114.28 110.30 1og0 n THR 341 Ca 0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 1og0 n THR 341 Cb 0.67 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1og0 n THR 341 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1og0 n ASP 342 N 0.00 3.01 -4.74 3.42 8.00 -1.26 -4.71 116.55 120.27 1og0 n ASP 342 Ca 0.00 1.20 -0.33 0.00 0.71 0.00 0.00 54.79 56.37 1og0 n ASP 342 Cb 0.00 -1.52 0.08 0.00 -0.02 0.00 0.00 41.12 39.66 1og0 n ASP 342 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1og0 s ALA 343 N -1.11 2.20 0.11 2.24 0.00 -1.26 -4.69 121.76 119.26 1og0 s ALA 343 Ca 0.55 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1og0 s ALA 343 Cb -0.54 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 1og0 s ALA 343 CO 0.62 -1.72 0.03 0.00 0.00 0.00 0.00 175.76 174.69 1og0 s ILE 345 N -3.98 4.68 1.35 0.00 -4.36 -1.12 -0.56 121.20 117.22 1og0 s ILE 345 Ca 0.20 1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 62.36 1og0 s ILE 345 Cb 0.07 -4.28 0.33 0.00 1.25 0.00 0.00 42.46 39.84 1og0 s ILE 345 CO -0.01 0.27 0.83 0.61 0.24 0.00 0.00 174.94 176.88 1og0 n GLY 346 N 2.53 -3.26 0.19 6.27 0.00 -1.26 -2.48 105.19 107.17 1og0 n GLY 346 Ca 0.03 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 1og0 n GLY 346 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1og0 h TRP 347 N -3.27 -0.36 -0.89 1.61 2.91 -0.17 -2.24 115.95 113.55 1og0 h TRP 347 Ca -0.46 -0.01 0.20 0.00 1.13 0.00 0.00 58.89 59.75 1og0 h TRP 347 Cb 1.29 0.12 -0.12 0.00 -0.51 0.00 0.00 29.16 29.94 1og0 h TRP 347 CO -2.54 -0.08 0.41 0.93 -1.03 0.00 0.00 178.44 176.13 1og0 h GLU 348 N -0.63 0.46 -0.31 2.65 5.08 -1.89 0.12 114.58 120.06 1og0 h GLU 348 Ca -0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1og0 h GLU 348 Cb 0.45 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1og0 h GLU 348 CO 0.07 0.30 0.13 1.15 -1.00 0.00 0.00 179.01 179.66 1og0 h THR 349 N 0.47 1.18 -1.00 1.13 2.02 -1.90 -3.03 112.91 111.77 1og0 h THR 349 Ca 0.53 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 67.23 1og0 h THR 349 Cb 0.95 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 1og0 h THR 349 CO -0.48 0.19 0.65 0.74 0.37 0.00 0.00 175.52 176.99 1og0 h THR 350 N 0.36 1.16 -0.98 3.16 2.02 -0.19 -1.28 112.91 117.15 1og0 h THR 350 Ca 0.10 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1og0 h THR 350 Cb 0.17 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.33 1og0 h THR 350 CO -0.01 0.23 0.64 -0.08 0.37 0.00 0.00 175.52 176.67 1og0 h GLU 351 N 1.25 1.30 0.66 6.66 4.81 -1.04 -1.41 114.58 126.81 1og0 h GLU 351 Ca 0.41 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 1og0 h GLU 351 Cb 0.04 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1og0 h GLU 351 CO -0.14 0.87 -0.41 0.22 -0.73 0.00 0.00 179.01 178.82 1og0 h ASP 352 N 1.34 -1.05 -0.23 1.04 1.82 -1.17 -1.71 116.42 116.46 1og0 h ASP 352 Ca 0.36 0.06 0.06 0.00 -0.39 0.00 0.00 57.03 57.12 1og0 h ASP 352 Cb -0.14 0.31 -0.07 0.00 0.68 0.00 0.00 39.33 40.11 1og0 h ASP 352 CO -0.08 -0.64 -0.35 0.58 -1.61 0.00 0.00 179.24 177.14 1og0 h VAL 353 N -1.02 0.22 -0.02 2.25 2.07 -0.91 -1.80 116.25 117.04 1og0 h VAL 353 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1og0 h VAL 353 Cb 0.82 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1og0 h VAL 353 CO 0.08 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.55 1og0 h LEU 354 N -0.37 -0.16 -0.79 2.57 3.38 -1.22 0.20 115.31 118.93 1og0 h LEU 354 Ca 0.12 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1og0 h LEU 354 Cb 0.56 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1og0 h LEU 354 CO -0.44 -0.08 0.46 0.03 0.09 0.00 0.00 178.44 178.51 1og0 h ARG 355 N -0.08 0.80 -0.02 1.13 3.08 -1.15 0.72 114.38 118.85 1og0 h ARG 355 Ca 0.03 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1og0 h ARG 355 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1og0 h ARG 355 CO -0.07 0.53 -0.35 0.87 -1.07 0.00 0.00 179.97 179.88 1og0 h LYS 356 N 0.82 0.03 -0.15 0.04 1.57 -0.98 -0.98 116.57 116.92 1og0 h LYS 356 Ca 0.36 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.97 1og0 h LYS 356 Cb 0.25 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1og0 h LYS 356 CO -0.20 0.38 -0.56 1.25 -0.57 0.00 0.00 179.45 179.74 1og0 h LEU 357 N 0.03 0.52 0.06 2.94 6.46 0.14 -2.42 115.31 123.04 1og0 h LEU 357 Ca 0.00 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1og0 h LEU 357 Cb 0.63 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1og0 h LEU 357 CO 0.05 0.98 -0.03 0.00 -0.62 0.00 0.00 178.44 178.81 1og0 h ALA 358 N 1.03 -0.08 -0.15 1.25 0.00 0.15 -2.12 119.26 119.34 1og0 h ALA 358 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1og0 h ALA 358 Cb 1.09 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1og0 h ALA 358 CO 0.10 -0.53 -0.06 0.00 0.00 0.00 0.00 179.25 178.76 1og0 h ALA 359 N 0.83 0.07 -0.92 0.00 0.00 -1.16 -1.31 119.26 116.77 1og0 h ALA 359 Ca -0.01 0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.17 1og0 h ALA 359 Cb 0.09 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1og0 h ALA 359 CO 0.01 -0.50 0.61 0.00 0.00 0.00 0.00 179.25 179.37 1og0 h ALA 360 N 1.11 2.23 -0.20 0.00 0.00 -1.24 0.38 119.26 121.52 1og0 h ALA 360 Ca 0.08 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1og0 h ALA 360 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1og0 h ALA 360 CO -0.17 -0.53 -0.64 0.28 0.00 0.00 0.00 179.25 178.19 1og0 h VAL 361 N 0.40 1.30 0.75 0.00 2.07 -0.59 -1.24 116.25 118.92 1og0 h VAL 361 Ca 0.49 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1og0 h VAL 361 Cb 1.23 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1og0 h VAL 361 CO -0.19 0.59 -0.36 0.03 0.02 0.00 0.00 177.57 177.67 1og0 h ARG 362 N 0.54 -0.97 -0.89 1.57 3.08 0.47 -2.02 114.38 116.16 1og0 h ARG 362 Ca -0.01 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.31 1og0 h ARG 362 Cb 1.24 0.22 -0.16 0.00 0.08 0.00 0.00 29.97 31.34 1og0 h ARG 362 CO 0.13 -0.64 -0.06 0.37 -1.07 0.00 0.00 179.97 178.69 1og0 h GLN 363 N -1.13 0.04 -0.26 0.04 5.75 -0.48 0.73 115.11 119.79 1og0 h GLN 363 Ca -0.10 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1og0 h GLN 363 Cb 0.77 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.30 1og0 h GLN 363 CO 0.17 0.02 0.13 -0.09 -2.65 0.00 0.00 178.83 176.41 1og0 h ARG 364 N 0.04 0.35 -0.48 1.69 2.43 -1.09 -2.37 114.38 114.96 1og0 h ARG 364 Ca 0.49 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.64 1og0 h ARG 364 Cb 0.88 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 1og0 h ARG 364 CO -0.85 0.27 0.29 -0.09 -1.51 0.00 0.00 179.97 178.09 1og0 h ARG 365 N 0.36 0.57 0.67 0.20 2.43 0.12 -2.67 114.38 116.06 1og0 h ARG 365 Ca 0.09 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1og0 h ARG 365 Cb 0.03 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1og0 h ARG 365 CO -0.01 0.37 -0.32 1.49 -1.51 0.00 0.00 179.97 179.99 1og0 h GLU 366 N 0.58 -0.87 -0.61 0.20 4.57 -1.23 -2.68 114.58 114.55 1og0 h GLU 366 Ca 0.19 0.06 0.18 0.00 -1.18 0.00 0.00 59.36 58.60 1og0 h GLU 366 Cb -0.00 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1og0 h GLU 366 CO -0.08 -0.56 0.78 0.28 -1.18 0.00 0.00 179.01 178.26 1og0 h VAL 367 N -0.96 0.17 0.00 0.32 2.07 -1.34 0.51 116.25 117.01 1og0 h VAL 367 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1og0 h VAL 367 Cb 0.71 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1og0 h VAL 367 CO 0.15 0.00 -0.55 0.59 0.02 0.00 0.00 177.57 177.78 1og0 n ASN 368 N -3.38 0.54 -4.70 0.57 3.02 -1.02 -4.92 115.26 105.37 1og0 n ASN 368 Ca 0.13 -0.12 -0.30 0.00 -0.03 0.00 0.00 54.58 54.26 1og0 n ASN 368 Cb 0.99 0.23 0.14 0.00 -0.61 0.00 0.00 39.78 40.54 1og0 n ASN 368 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1og0 s LYS 369 N -3.06 1.13 0.00 3.52 3.01 0.18 -5.12 119.74 119.40 1og0 s LYS 369 Ca 0.09 0.85 0.00 0.00 -1.01 0.00 0.00 55.97 55.90 1og0 s LYS 369 Cb 0.16 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 35.19 1og0 s LYS 369 CO 0.71 -2.34 0.00 1.17 0.51 0.00 0.00 175.35 175.40