#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1og0 n ALA 19 N 0.00 0.00 -2.91 4.61 0.00 -1.26 -5.10 120.51 115.85 1og0 n ALA 19 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1og0 n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1og0 n ALA 19 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1og0 s GLU 20 N -0.46 0.42 0.40 0.00 2.12 -1.26 -5.17 118.70 114.75 1og0 s GLU 20 Ca 0.00 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.21 1og0 s GLU 20 Cb 0.00 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 1og0 s GLU 20 CO 0.00 -0.60 0.07 -1.21 -0.54 0.00 0.00 175.26 172.98 1og0 s GLU 21 N 1.86 1.90 -0.17 4.30 2.02 -1.26 -4.81 118.70 122.55 1og0 s GLU 21 Ca 0.16 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 53.01 1og0 s GLU 21 Cb 0.01 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.26 1og0 s GLU 21 CO -0.12 -0.32 0.00 -0.25 0.02 0.00 0.00 175.26 174.59 1og0 n ASP 22 N -1.07 -1.36 0.25 -0.19 9.92 -1.26 -4.74 116.55 118.10 1og0 n ASP 22 Ca -0.07 0.41 0.12 0.00 -0.53 0.00 0.00 54.79 54.72 1og0 n ASP 22 Cb 0.66 -1.32 0.64 0.00 -0.64 0.00 0.00 41.12 40.46 1og0 n ASP 22 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1og0 h VAL 23 N 0.00 0.48 -0.42 2.53 -1.51 -2.04 -2.33 116.25 112.96 1og0 h VAL 23 Ca -0.05 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1og0 h VAL 23 Cb 0.93 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1og0 h VAL 23 CO 0.06 0.14 0.00 0.54 -1.23 0.00 0.00 177.57 177.08 1og0 n ARG 24 N -3.46 2.89 -3.54 5.19 1.74 -1.26 -4.87 116.66 113.36 1og0 n ARG 24 Ca -0.01 -2.25 -0.42 0.00 -0.77 0.00 0.00 57.85 54.40 1og0 n ARG 24 Cb 0.31 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.16 4.56 0.28 0.55 -1.09 -0.88 -4.95 121.20 118.51 1og0 s ILE 25 Ca 0.30 -1.26 0.37 0.00 -2.23 0.00 0.00 60.65 57.83 1og0 s ILE 25 Cb 0.17 -3.75 0.40 0.00 -1.58 0.00 0.00 42.46 37.70 1og0 s ILE 25 CO 0.19 -0.51 2.10 -0.07 -1.23 0.00 0.00 174.94 175.42 1og0 h LEU 26 N 8.52 0.00 0.00 2.97 3.38 -1.89 -3.48 115.31 124.81 1og0 h LEU 26 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 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 0.79 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1og0 n GLY 27 N -0.32 3.79 3.84 0.83 0.00 -1.26 -5.14 105.19 106.93 1og0 n GLY 27 Ca -0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 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 3.20 0.03 1.61 1.51 -1.26 -5.13 117.35 115.31 1og0 s TYR 28 Ca 0.00 -0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 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 0.51 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.30 1og0 s ASP 29 N -3.52 1.64 0.33 2.29 1.01 -1.26 -5.11 116.67 112.05 1og0 s ASP 29 Ca 0.32 -0.42 -0.29 0.00 0.71 0.00 0.00 52.55 52.87 1og0 s ASP 29 Cb -0.09 -0.12 -0.11 0.00 1.01 0.00 0.00 42.92 43.61 1og0 s ASP 29 CO 0.25 0.05 1.54 -2.16 0.21 0.00 0.00 175.17 175.06 1og0 s PRO 30 N -1.01 4.13 -0.11 8.23 0.04 -1.26 -5.00 135.00 140.01 1og0 s PRO 30 Ca 0.02 2.55 0.01 0.00 0.04 0.00 0.00 61.00 63.62 1og0 s PRO 30 Cb -0.07 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.48 1og0 s PRO 30 CO 0.01 -0.57 -0.12 -1.17 0.04 0.00 0.00 177.00 175.19 1og0 s LEU 31 N -1.17 1.50 0.30 -3.56 2.96 -1.26 -4.93 118.68 112.52 1og0 s LEU 31 Ca 0.58 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 1og0 s LEU 31 Cb -0.47 -0.98 -0.12 0.00 0.50 0.00 0.00 46.19 45.12 1og0 s LEU 31 CO 0.54 -0.05 1.49 0.00 -1.32 0.00 0.00 176.35 177.01 1og0 n ALA 32 N 4.57 2.02 -1.48 5.97 0.00 -1.26 -4.96 120.51 125.37 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 17.66 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 0.23 4.42 0.10 0.00 1.04 -1.26 -4.82 113.70 113.42 1og0 s SER 33 Ca 0.62 1.40 -0.27 0.00 0.48 0.00 0.00 55.95 58.18 1og0 s SER 33 Cb -0.54 -2.14 -0.11 0.00 0.10 0.00 0.00 66.02 63.33 1og0 s SER 33 CO 0.53 -2.03 1.66 -0.65 0.98 0.00 0.00 173.24 173.73 1og0 h PRO 34 N -1.13 -0.45 -0.77 4.02 0.11 -1.79 -0.31 132.00 131.69 1og0 h PRO 34 Ca -0.47 0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.84 1og0 h PRO 34 Cb 1.26 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.37 1og0 h PRO 34 CO 0.58 -0.30 0.26 0.00 -0.21 0.00 0.00 178.00 178.33 1og0 h ALA 35 N 0.26 1.08 -0.17 -0.75 0.00 -0.59 0.39 119.26 119.48 1og0 h ALA 35 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1og0 h ALA 35 Cb 0.44 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1og0 h ALA 35 CO -0.06 -0.30 0.07 1.25 0.00 0.00 0.00 179.25 180.21 1og0 h LEU 36 N 0.35 0.23 -0.83 0.00 5.85 -1.66 -2.73 115.31 116.52 1og0 h LEU 36 Ca 0.44 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1og0 h LEU 36 Cb 0.75 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1og0 h LEU 36 CO -0.48 0.33 0.40 0.25 -0.34 0.00 0.00 178.44 178.61 1og0 h LEU 37 N 0.12 1.08 -1.77 2.25 7.12 0.48 -1.42 115.31 123.18 1og0 h LEU 37 Ca 0.06 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1og0 h LEU 37 Cb 0.17 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 1og0 h LEU 37 CO -0.00 0.91 0.00 1.56 -0.13 0.00 0.00 178.44 180.77 1og0 h GLN 38 N 1.17 0.00 0.07 1.25 4.20 -0.14 -0.02 115.11 121.65 1og0 h GLN 38 Ca 0.29 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.66 1og0 h GLN 38 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1og0 h GLN 38 CO -0.04 0.00 -1.88 0.28 -0.67 0.00 0.00 178.83 176.52 1og0 n VAL 39 N -2.73 1.68 -0.00 -0.54 0.31 -0.78 -3.43 118.33 112.83 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 0.16 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.27 0.01 -3.20 5.55 4.20 -0.86 -3.28 115.11 117.26 1og0 h GLN 40 Ca -0.43 -0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.62 1og0 h GLN 40 Cb 1.81 -0.00 -0.39 0.00 0.30 0.00 0.00 27.48 29.19 1og0 h GLN 40 CO -0.03 0.01 -0.38 0.42 -0.67 0.00 0.00 178.83 178.17 1og0 s ILE 41 N -6.20 3.47 0.62 2.54 1.01 -0.06 -5.09 121.20 117.50 1og0 s ILE 41 Ca -0.13 -4.06 -0.16 0.00 0.00 0.00 0.00 60.65 56.30 1og0 s ILE 41 Cb 0.08 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1og0 s ILE 41 CO 0.67 -1.03 1.12 -2.16 0.00 0.00 0.00 174.94 173.54 1og0 s PRO 42 N -1.34 2.98 -0.18 2.79 0.04 -1.22 -4.62 135.00 133.45 1og0 s PRO 42 Ca 0.25 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1og0 s PRO 42 Cb -0.07 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1og0 s PRO 42 CO -0.14 -1.12 0.46 0.00 0.04 0.00 0.00 177.00 176.24 1og0 s ALA 43 N -2.16 3.53 0.76 8.56 0.00 -1.26 -5.02 121.76 126.17 1og0 s ALA 43 Ca 0.69 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1og0 s ALA 43 Cb -0.22 -2.70 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1og0 s ALA 43 CO 0.37 -0.26 1.11 0.95 0.00 0.00 0.00 175.76 177.93 1og0 s THR 44 N 1.22 3.11 0.44 0.00 -4.23 -1.26 -4.79 115.64 110.12 1og0 s THR 44 Ca 0.23 0.41 0.14 0.00 -1.18 0.00 0.00 61.69 61.29 1og0 s THR 44 Cb -0.15 -2.85 0.33 0.00 1.34 0.00 0.00 72.50 71.17 1og0 s THR 44 CO 0.09 -0.42 1.97 -0.65 -0.54 0.00 0.00 174.62 175.07 1og0 h PRO 45 N -0.87 0.38 0.10 3.99 0.11 -1.99 -0.99 132.00 132.73 1og0 h PRO 45 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1og0 h PRO 45 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1og0 h PRO 45 CO 0.51 0.25 -0.05 1.15 -0.21 0.00 0.00 178.00 179.65 1og0 h THR 46 N 0.39 1.05 -0.57 -1.15 2.02 -1.91 -1.38 112.91 111.37 1og0 h THR 46 Ca 0.29 -0.61 0.11 0.00 0.77 0.00 0.00 66.41 66.97 1og0 h THR 46 Cb 0.60 1.44 -0.09 0.00 -1.74 0.00 0.00 68.15 68.36 1og0 h THR 46 CO -0.08 0.15 0.08 0.28 0.37 0.00 0.00 175.52 176.32 1og0 h SER 47 N -0.42 -0.09 0.35 4.18 0.02 -1.33 0.45 113.55 116.72 1og0 h SER 47 Ca -0.01 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1og0 h SER 47 Cb 0.35 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1og0 h SER 47 CO 0.02 -0.03 -0.36 -0.07 -1.14 0.00 0.00 176.83 175.25 1og0 h LEU 48 N 0.20 0.02 0.05 5.07 3.38 -1.22 -1.83 115.31 120.98 1og0 h LEU 48 Ca 0.30 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 1og0 h LEU 48 Cb 0.45 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.21 1og0 h LEU 48 CO -0.42 0.38 -0.87 -0.08 0.09 0.00 0.00 178.44 177.54 1og0 h GLU 49 N 0.02 0.51 -0.48 1.13 4.57 0.10 -2.87 114.58 117.56 1og0 h GLU 49 Ca -0.00 -0.61 0.06 0.00 -1.18 0.00 0.00 59.36 57.63 1og0 h GLU 49 Cb 0.65 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.37 1og0 h GLU 49 CO 0.05 1.24 0.17 1.15 -1.18 0.00 0.00 179.01 180.43 1og0 h THR 50 N 0.06 0.84 -0.71 0.32 2.02 0.00 -0.92 112.91 114.52 1og0 h THR 50 Ca -0.12 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1og0 h THR 50 Cb 1.58 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 1og0 h THR 50 CO 0.17 0.06 0.47 0.00 0.37 0.00 0.00 175.52 176.59 1og0 h ALA 51 N 1.32 0.91 -0.59 6.16 0.00 -1.37 -1.31 119.26 124.37 1og0 h ALA 51 Ca 0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1og0 h ALA 51 Cb 0.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1og0 h ALA 51 CO -0.23 0.32 -0.05 0.87 0.00 0.00 0.00 179.25 180.16 1og0 h LYS 52 N 0.96 1.07 0.06 0.00 1.57 -1.19 -2.73 116.57 116.30 1og0 h LYS 52 Ca 0.26 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1og0 h LYS 52 Cb -0.11 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1og0 h LYS 52 CO -0.06 1.07 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.77 1og0 h ARG 53 N 0.96 -0.08 -0.82 3.15 2.43 -0.87 -2.00 114.38 117.15 1og0 h ARG 53 Ca 0.16 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.49 1og0 h ARG 53 Cb 0.61 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.08 1og0 h ARG 53 CO 0.04 0.06 0.38 0.78 -1.51 0.00 0.00 179.97 179.72 1og0 h GLY 54 N -0.20 1.31 1.02 2.80 0.00 -1.19 -0.18 103.07 106.64 1og0 h GLY 54 Ca -0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1og0 h GLY 54 CO 0.01 -0.09 0.02 3.21 0.00 0.00 0.00 176.54 179.70 1og0 h ARG 55 N 0.53 0.92 0.10 4.80 3.08 -1.27 -0.64 114.38 121.91 1og0 h ARG 55 Ca 0.46 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1og0 h ARG 55 Cb 0.69 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1og0 h ARG 55 CO -0.40 0.93 -0.05 0.00 -1.07 0.00 0.00 179.97 179.38 1og0 h ARG 56 N 0.80 -0.13 -0.48 0.04 3.08 -0.38 0.44 114.38 117.75 1og0 h ARG 56 Ca 0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1og0 h ARG 56 Cb 0.50 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1og0 h ARG 56 CO 0.02 -0.04 0.30 0.93 -1.07 0.00 0.00 179.97 180.12 1og0 h GLU 57 N -0.20 0.64 -0.54 0.04 5.08 -1.05 -0.94 114.58 117.61 1og0 h GLU 57 Ca -0.01 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1og0 h GLU 57 Cb 0.16 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1og0 h GLU 57 CO 0.02 0.45 0.35 0.00 -1.00 0.00 0.00 179.01 178.83 1og0 h ALA 58 N 1.15 0.68 -0.30 3.43 0.00 -0.97 -1.76 119.26 121.50 1og0 h ALA 58 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1og0 h ALA 58 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1og0 h ALA 58 CO -0.03 0.10 0.20 0.82 0.00 0.00 0.00 179.25 180.33 1og0 h ILE 59 N 0.71 1.09 -0.85 0.00 2.04 -0.49 -1.46 117.51 118.54 1og0 h ILE 59 Ca 0.20 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1og0 h ILE 59 Cb -0.06 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1og0 h ILE 59 CO -0.05 0.08 0.48 0.44 0.00 0.00 0.00 178.15 179.10 1og0 h ASP 60 N 0.40 1.06 -0.17 1.72 3.32 -0.94 -2.09 116.42 119.73 1og0 h ASP 60 Ca 0.11 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1og0 h ASP 60 Cb -0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1og0 h ASP 60 CO -0.02 0.85 -0.09 0.40 -1.72 0.00 0.00 179.24 178.66 1og0 h ILE 61 N 1.19 1.31 0.00 0.35 2.04 -1.10 0.86 117.51 122.17 1og0 h ILE 61 Ca 0.30 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1og0 h ILE 61 Cb 0.01 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1og0 h ILE 61 CO -0.05 0.34 0.00 2.30 0.00 0.00 0.00 178.15 180.74 1og0 n ILE 62 N -4.61 0.50 0.83 -0.67 -5.35 -0.57 -2.90 119.36 106.60 1og0 n ILE 62 Ca -0.05 0.05 0.10 0.00 -0.27 0.00 0.00 62.75 62.57 1og0 n ILE 62 Cb 0.31 -0.74 0.08 0.00 -1.74 0.00 0.00 39.64 37.55 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 -1.73 0.00 -0.05 7.28 -2.24 -0.79 -1.21 114.28 115.54 1og0 n THR 63 Ca 0.05 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1og0 n THR 63 Cb 0.29 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.13 0.63 0.19 3.38 0.00 -1.06 -4.94 105.19 104.51 1og0 n GLY 64 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.57 1.61 1.57 -1.12 -3.43 116.57 114.42 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 -0.78 0.34 -0.57 0.00 0.00 179.45 178.44 1og0 s ASP 66 N -4.99 1.14 0.00 0.86 2.15 -0.74 -4.94 116.67 110.16 1og0 s ASP 66 Ca 0.04 -0.18 0.15 0.00 0.43 0.00 0.00 52.55 52.99 1og0 s ASP 66 Cb 0.09 -0.29 0.62 0.00 -0.30 0.00 0.00 42.92 43.04 1og0 s ASP 66 CO 0.50 0.07 1.44 -0.90 -0.17 0.00 0.00 175.17 176.10 1og0 n ASP 67 N 3.25 1.07 -4.88 -0.34 5.68 -1.26 -4.50 116.55 115.57 1og0 n ASP 67 Ca -0.18 -1.75 -0.29 0.00 -0.50 0.00 0.00 54.79 52.07 1og0 n ASP 67 Cb 0.55 -0.10 0.09 0.00 -1.14 0.00 0.00 41.12 40.52 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 -1.81 1.91 -0.16 0.11 0.52 -1.26 -4.98 118.95 113.28 1og0 s ARG 68 Ca 0.24 0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.53 1og0 s ARG 68 Cb 0.12 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1og0 s ARG 68 CO 0.19 -1.63 -0.04 0.08 0.02 0.00 0.00 175.30 173.91 1og0 s VAL 69 N -3.58 3.75 -0.06 3.52 1.01 -0.74 -4.90 120.40 119.41 1og0 s VAL 69 Ca 0.62 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1og0 s VAL 69 Cb -0.11 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1og0 s VAL 69 CO 0.49 0.48 1.20 -0.22 0.00 0.00 0.00 175.10 177.06 1og0 s LEU 70 N 0.54 4.27 -0.21 3.92 2.96 0.26 -1.95 118.68 128.47 1og0 s LEU 70 Ca -0.03 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1og0 s LEU 70 Cb -0.14 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.02 1og0 s LEU 70 CO 0.03 -0.59 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.62 1og0 s VAL 71 N 2.29 2.04 -0.59 1.68 1.01 -0.21 -1.09 120.40 125.53 1og0 s VAL 71 Ca 0.56 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1og0 s VAL 71 Cb -0.24 -1.97 0.15 0.00 0.00 0.00 0.00 36.38 34.31 1og0 s VAL 71 CO 0.21 0.30 0.53 -0.63 0.00 0.00 0.00 175.10 175.52 1og0 s ILE 72 N 1.24 5.11 0.07 2.22 -1.09 -0.75 -0.79 121.20 127.22 1og0 s ILE 72 Ca -0.00 -1.78 0.08 0.00 -2.23 0.00 0.00 60.65 56.71 1og0 s ILE 72 Cb -0.16 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1og0 s ILE 72 CO -0.10 -0.89 -0.20 0.54 -1.23 0.00 0.00 174.94 173.06 1og0 s VAL 73 N 1.23 1.65 0.00 2.92 0.11 -0.71 -0.82 120.40 124.78 1og0 s VAL 73 Ca 0.07 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 1og0 s VAL 73 Cb -0.25 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1og0 s VAL 73 CO -0.00 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 1og0 n GLY 74 N 1.48 0.13 3.39 6.54 0.00 -0.90 -0.10 105.19 115.72 1og0 n GLY 74 Ca -0.18 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.01 -0.18 1.61 -0.02 0.15 -1.41 135.00 133.73 1og0 n PRO 75 Ca 0.00 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 1og0 n PRO 75 Cb 0.00 -1.73 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 -6.66 -0.58 -0.21 0.00 1.04 -1.26 -4.45 113.70 101.58 1og0 s SER 77 Ca -0.11 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 56.95 1og0 s SER 77 Cb 0.13 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.90 1og0 s SER 77 CO 0.86 -0.48 0.22 -0.63 0.98 0.00 0.00 173.24 174.19 1og0 s ILE 78 N -0.82 5.33 0.00 -1.02 -1.09 -0.84 -4.78 121.20 117.98 1og0 s ILE 78 Ca -0.09 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1og0 s ILE 78 Cb -0.02 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1og0 s ILE 78 CO 0.07 0.36 0.21 0.00 -1.23 0.00 0.00 174.94 174.36 1og0 n HIS 79 N 3.96 0.00 -3.62 3.97 1.44 -1.26 -4.70 115.22 115.01 1og0 n HIS 79 Ca -0.13 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.31 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 -0.05 2.60 0.44 4.39 -1.08 -1.26 -4.97 116.67 116.73 1og0 s ASP 80 Ca 0.00 -0.74 0.20 0.00 -0.52 0.00 0.00 52.55 51.48 1og0 s ASP 80 Cb 0.00 -0.31 1.02 0.00 -1.46 0.00 0.00 42.92 42.17 1og0 s ASP 80 CO 0.00 -0.36 1.92 -0.07 0.52 0.00 0.00 175.17 177.19 1og0 h LEU 81 N 8.39 0.00 0.48 -1.34 4.07 -1.98 -1.22 115.31 123.71 1og0 h LEU 81 Ca -0.16 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1og0 h LEU 81 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1og0 h LEU 81 CO 0.32 0.25 -0.23 -0.08 -1.08 0.00 0.00 178.44 177.62 1og0 h GLU 82 N 0.00 -0.62 -0.94 1.13 4.57 -1.99 -2.02 114.58 114.71 1og0 h GLU 82 Ca -0.00 0.04 0.15 0.00 -1.18 0.00 0.00 59.36 58.37 1og0 h GLU 82 Cb 0.54 0.14 -0.08 0.00 -0.16 0.00 0.00 28.75 29.19 1og0 h GLU 82 CO 0.03 -0.41 0.60 0.00 -1.18 0.00 0.00 179.01 178.05 1og0 h ALA 83 N -1.30 1.77 -0.11 2.92 0.00 -1.98 0.23 119.26 120.78 1og0 h ALA 83 Ca -0.07 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1og0 h ALA 83 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1og0 h ALA 83 CO 0.11 -0.04 -0.28 0.00 0.00 0.00 0.00 179.25 179.05 1og0 h ALA 84 N 1.59 1.34 -0.09 0.00 0.00 -1.23 -1.82 119.26 119.04 1og0 h ALA 84 Ca 0.48 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 1og0 h ALA 84 Cb 0.73 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1og0 h ALA 84 CO -0.24 0.46 -0.84 0.37 0.00 0.00 0.00 179.25 178.99 1og0 h GLN 85 N 0.17 0.66 -0.28 0.00 5.75 0.19 -0.83 115.11 120.78 1og0 h GLN 85 Ca 0.03 -0.59 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 1og0 h GLN 85 Cb 0.59 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.26 1og0 h GLN 85 CO 0.04 1.20 0.12 1.49 -2.65 0.00 0.00 178.83 179.03 1og0 h GLU 86 N 0.43 0.41 -0.59 1.69 4.81 -1.02 -1.54 114.58 118.77 1og0 h GLU 86 Ca -0.07 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1og0 h GLU 86 Cb 1.47 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 1og0 h GLU 86 CO 0.16 0.43 0.37 -0.92 -0.73 0.00 0.00 179.01 178.32 1og0 h TYR 87 N 0.30 0.70 -0.61 0.92 5.03 -1.31 -2.13 116.97 119.87 1og0 h TYR 87 Ca 0.09 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.47 1og0 h TYR 87 Cb 0.16 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.17 1og0 h TYR 87 CO -0.01 0.42 0.34 0.00 -1.32 0.00 0.00 178.16 177.59 1og0 h ALA 88 N 1.24 0.81 -0.30 1.82 0.00 -0.73 0.29 119.26 122.38 1og0 h ALA 88 Ca 0.23 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1og0 h ALA 88 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1og0 h ALA 88 CO -0.08 0.03 0.13 -0.07 0.00 0.00 0.00 179.25 179.26 1og0 h LEU 89 N 0.65 0.17 0.09 0.00 -0.00 -0.69 0.32 115.31 115.86 1og0 h LEU 89 Ca 0.27 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1og0 h LEU 89 Cb 0.13 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.78 1og0 h LEU 89 CO -0.15 0.14 -0.06 0.03 -0.00 0.00 0.00 178.44 178.39 1og0 h ARG 90 N 0.28 -0.15 -0.05 1.13 3.08 -0.79 -1.93 114.38 115.95 1og0 h ARG 90 Ca 0.13 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1og0 h ARG 90 Cb 0.07 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1og0 h ARG 90 CO -0.11 -0.10 -0.09 1.25 -1.07 0.00 0.00 179.97 179.85 1og0 h LEU 91 N -0.16 0.06 -0.39 3.04 5.85 -0.67 -2.03 115.31 121.01 1og0 h LEU 91 Ca -0.00 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1og0 h LEU 91 Cb 0.14 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1og0 h LEU 91 CO -0.00 0.17 -0.26 0.50 -0.34 0.00 0.00 178.44 178.51 1og0 h LYS 92 N 0.07 0.87 -0.25 1.25 1.63 0.13 -0.52 116.57 119.75 1og0 h LYS 92 Ca 0.02 -0.41 -0.08 0.00 -0.85 0.00 0.00 60.65 59.32 1og0 h LYS 92 Cb 0.21 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1og0 h LYS 92 CO 0.01 1.06 -0.15 -0.22 -3.45 0.00 0.00 179.45 176.70 1og0 h LYS 93 N 0.68 0.54 -0.54 1.90 3.64 -0.93 -2.51 116.57 119.34 1og0 h LYS 93 Ca 0.08 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1og0 h LYS 93 Cb 0.83 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 1og0 h LYS 93 CO 0.07 0.82 0.36 1.25 -2.27 0.00 0.00 179.45 179.68 1og0 h LEU 94 N 0.26 0.59 -1.39 5.20 5.85 -1.36 -1.26 115.31 123.20 1og0 h LEU 94 Ca 0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1og0 h LEU 94 Cb 0.68 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1og0 h LEU 94 CO 0.04 0.42 -0.11 -1.28 -0.34 0.00 0.00 178.44 177.17 1og0 h SER 95 N 0.69 0.25 0.23 1.25 0.87 -0.79 -2.18 113.55 113.88 1og0 h SER 95 Ca 0.21 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1og0 h SER 95 Cb -0.01 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1og0 h SER 95 CO -0.05 0.40 -0.71 0.44 -0.53 0.00 0.00 176.83 176.38 1og0 h ASP 96 N 0.26 0.49 0.13 6.23 3.32 -0.81 -1.21 116.42 124.83 1og0 h ASP 96 Ca 0.05 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1og0 h ASP 96 Cb 0.36 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1og0 h ASP 96 CO 0.02 1.05 -0.06 -0.08 -1.72 0.00 0.00 179.24 178.45 1og0 h GLU 97 N 0.29 -0.16 -0.56 3.56 4.81 -1.26 -3.29 114.58 117.97 1og0 h GLU 97 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1og0 h GLU 97 Cb 1.27 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1og0 h GLU 97 CO 0.12 0.24 0.00 1.28 -0.73 0.00 0.00 179.01 179.92 1og0 n LEU 98 N -4.97 2.58 0.19 1.64 4.77 -0.84 -4.44 117.00 115.94 1og0 n LEU 98 Ca -0.09 -1.30 0.14 0.00 -0.03 0.00 0.00 56.01 54.73 1og0 n LEU 98 Cb 0.25 -0.40 0.68 0.00 -2.33 0.00 0.00 43.42 41.61 1og0 n LEU 98 CO 0.31 0.46 0.91 0.07 -1.33 0.00 0.00 177.39 177.81 1og0 h LYS 99 N 2.06 0.00 0.00 3.23 2.10 -1.29 0.14 116.57 122.80 1og0 h LYS 99 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1og0 h LYS 99 Cb 0.83 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1og0 h LYS 99 CO 0.11 0.00 -0.18 0.78 -2.00 0.00 0.00 179.45 178.16 1og0 h GLY 100 N 0.68 0.00 0.00 0.07 0.00 -1.87 -3.38 103.07 98.57 1og0 h GLY 100 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1og0 h GLY 100 CO 0.00 0.00 -1.16 1.22 0.00 0.00 0.00 176.54 176.60 1og0 n ASP 101 N -3.04 4.30 -4.22 0.19 8.00 -0.70 -4.87 116.55 116.20 1og0 n ASP 101 Ca 0.03 -0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.23 1og0 n ASP 101 Cb 0.54 0.42 -0.16 0.00 -0.02 0.00 0.00 41.12 41.90 1og0 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1og0 s LEU 102 N -4.39 2.02 -0.48 0.64 1.43 0.39 -1.78 118.68 116.51 1og0 s LEU 102 Ca -0.02 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 1og0 s LEU 102 Cb 0.01 -1.26 0.08 0.00 0.03 0.00 0.00 46.19 45.05 1og0 s LEU 102 CO 0.09 0.20 0.40 -0.55 0.23 0.00 0.00 176.35 176.71 1og0 s SER 103 N -0.00 6.09 -0.16 2.29 0.15 -0.82 -4.13 113.70 117.11 1og0 s SER 103 Ca -0.06 -1.43 -0.14 0.00 0.70 0.00 0.00 55.95 55.01 1og0 s SER 103 Cb -0.14 -2.16 -0.05 0.00 -1.71 0.00 0.00 66.02 61.96 1og0 s SER 103 CO 0.04 -0.67 0.32 -0.63 1.20 0.00 0.00 173.24 173.50 1og0 s ILE 104 N 1.61 5.29 -0.11 6.45 1.01 -1.26 -1.04 121.20 133.15 1og0 s ILE 104 Ca 0.04 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1og0 s ILE 104 Cb -0.25 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1og0 s ILE 104 CO 0.05 0.37 -0.19 -0.63 0.00 0.00 0.00 174.94 174.54 1og0 s ILE 105 N 0.59 1.74 0.34 2.92 1.01 0.03 -4.49 121.20 123.34 1og0 s ILE 105 Ca 0.17 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 1og0 s ILE 105 Cb -0.13 -1.54 -0.10 0.00 0.01 0.00 0.00 42.46 40.70 1og0 s ILE 105 CO 0.05 0.49 0.97 -0.32 0.00 0.00 0.00 174.94 176.13 1og0 s MET 106 N 0.69 4.50 -0.07 2.79 -2.45 -0.50 -1.74 119.30 122.52 1og0 s MET 106 Ca -0.12 1.37 -0.30 0.00 -1.25 0.00 0.00 55.69 55.40 1og0 s MET 106 Cb -0.16 -2.74 -0.02 0.00 1.25 0.00 0.00 34.83 33.16 1og0 s MET 106 CO 0.03 0.19 0.99 1.03 1.05 0.00 0.00 175.02 178.30 1og0 s ARG 107 N -2.15 4.47 -0.38 4.11 0.52 0.85 -1.01 118.95 125.36 1og0 s ARG 107 Ca 0.52 1.38 0.12 0.00 -0.52 0.00 0.00 55.73 57.23 1og0 s ARG 107 Cb -0.19 -3.51 0.34 0.00 0.52 0.00 0.00 34.95 32.11 1og0 s ARG 107 CO 0.25 -0.21 0.72 0.00 0.02 0.00 0.00 175.30 176.08 1og0 n ALA 108 N 4.58 2.09 -2.04 2.13 0.00 -0.43 -4.12 120.51 122.71 1og0 n ALA 108 Ca 0.07 -3.43 -0.40 0.00 0.00 0.00 0.00 53.44 49.68 1og0 n ALA 108 Cb 0.50 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.36 3.89 -0.04 0.00 1.51 -1.26 -4.60 117.35 114.49 1og0 s TYR 109 Ca 0.40 1.81 -0.13 0.00 -1.01 0.00 0.00 57.07 58.14 1og0 s TYR 109 Cb 0.34 -2.98 -0.32 0.00 -0.11 0.00 0.00 41.96 38.89 1og0 s TYR 109 CO -0.08 0.34 0.74 -0.07 -1.11 0.00 0.00 175.55 175.37 1og0 h LEU 110 N 4.90 0.65 0.00 -1.29 -0.00 -1.89 -2.24 115.31 115.43 1og0 h LEU 110 Ca -0.44 -0.93 -0.20 0.00 -0.00 0.00 0.00 57.88 56.31 1og0 h LEU 110 Cb 1.21 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.62 1og0 h LEU 110 CO 0.70 1.74 -0.15 -0.62 -0.00 0.00 0.00 178.44 180.11 1og0 n GLU 111 N -3.68 1.60 0.00 1.13 -0.58 -1.26 -1.42 120.64 116.43 1og0 n GLU 111 Ca -0.23 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.37 1og0 n GLU 111 Cb 1.06 0.32 0.00 0.00 -0.57 0.00 0.00 31.44 32.24 1og0 n GLU 111 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1og0 n LYS 112 N -0.39 0.00 -1.26 3.49 5.02 -1.26 -4.84 118.16 118.92 1og0 n LYS 112 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1og0 n LYS 112 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1og0 n LYS 112 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1og0 n TRP 119 N -2.02 0.00 0.57 2.13 -0.00 -1.26 -5.07 117.44 111.80 1og0 n TRP 119 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1og0 n TRP 119 Cb 0.00 -0.62 0.45 0.00 -0.00 0.00 0.00 31.31 31.14 1og0 n TRP 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1og0 n LYS 120 N 1.77 0.12 0.00 5.87 5.02 -1.26 -5.00 118.16 124.69 1og0 n LYS 120 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1og0 n LYS 120 Cb 0.00 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1og0 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1og0 n GLY 121 N 0.53 0.97 0.08 0.72 0.00 -1.26 -4.74 105.19 101.49 1og0 n GLY 121 Ca 0.04 -1.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 1og0 n GLY 121 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1og0 n LEU 122 N 0.00 0.45 -0.01 0.99 7.94 -0.51 -3.37 117.00 122.49 1og0 n LEU 122 Ca 0.00 0.21 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 1og0 n LEU 122 Cb 0.00 0.26 -0.10 0.00 0.53 0.00 0.00 43.42 44.11 1og0 n LEU 122 CO 0.00 0.33 0.50 0.40 -1.11 0.00 0.00 177.39 177.52 1og0 h ILE 123 N 0.00 1.33 0.37 1.96 1.08 -1.84 -3.10 117.51 117.31 1og0 h ILE 123 Ca -0.33 -1.44 -0.02 0.00 -0.39 0.00 0.00 64.86 62.68 1og0 h ILE 123 Cb 1.90 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 37.91 1og0 h ILE 123 CO 0.04 0.35 -0.18 0.78 -0.69 0.00 0.00 178.15 178.46 1og0 h ASN 124 N -0.72 -0.42 -3.51 1.72 2.35 -1.86 -3.29 115.58 109.84 1og0 h ASN 124 Ca -0.01 0.01 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1og0 h ASN 124 Cb 0.62 0.11 -0.41 0.00 0.05 0.00 0.00 38.32 38.69 1og0 h ASN 124 CO 0.01 -0.29 -0.63 -0.62 -1.65 0.00 0.00 177.43 174.24 1og0 s ASP 125 N -2.78 4.34 0.60 5.81 2.15 -1.22 -1.85 116.67 123.72 1og0 s ASP 125 Ca -0.07 -3.42 0.38 0.00 0.43 0.00 0.00 52.55 49.87 1og0 s ASP 125 Cb 0.01 -1.51 1.80 0.00 -0.30 0.00 0.00 42.92 42.92 1og0 s ASP 125 CO 0.22 -0.15 2.15 1.55 -0.17 0.00 0.00 175.17 178.76 1og0 h PRO 126 N 5.90 0.00 -0.58 4.34 0.13 -1.72 -2.84 132.00 137.22 1og0 h PRO 126 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1og0 h PRO 126 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1og0 h PRO 126 CO 0.66 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 1og0 n ASP 127 N -3.12 3.53 -3.57 1.44 8.00 -1.26 -4.99 116.55 116.57 1og0 n ASP 127 Ca -0.01 -1.99 -0.21 0.00 0.71 0.00 0.00 54.79 53.29 1og0 n ASP 127 Cb 0.21 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1og0 n ASP 127 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1og0 n VAL 128 N 1.46 -2.43 -1.40 2.53 3.14 -1.07 -4.46 118.33 116.08 1og0 n VAL 128 Ca 0.22 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 1og0 n VAL 128 Cb 0.58 -2.16 0.00 0.00 -1.06 0.00 0.00 33.84 31.20 1og0 n VAL 128 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1og0 n ASN 129 N -1.88 0.00 0.00 6.55 0.23 -1.26 -3.65 115.26 115.25 1og0 n ASN 129 Ca -0.24 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 1og0 n ASN 129 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 1og0 n ASN 129 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1og0 n ASN 130 N 0.00 0.00 -4.58 0.53 5.15 -1.26 -5.05 115.26 110.05 1og0 n ASN 130 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 1og0 n ASN 130 Cb 0.35 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.73 1og0 n ASN 130 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1og0 s THR 131 N -2.88 2.03 0.09 -0.44 -4.23 -1.26 -5.06 115.64 103.89 1og0 s THR 131 Ca 0.00 -0.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1og0 s THR 131 Cb 0.00 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1og0 s THR 131 CO 0.00 0.00 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.54 1og0 s PHE 132 N -3.65 1.57 -0.37 3.99 0.40 -1.26 -4.49 117.98 114.16 1og0 s PHE 132 Ca 0.67 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1og0 s PHE 132 Cb -0.08 -0.87 0.28 0.00 0.51 0.00 0.00 43.02 42.86 1og0 s PHE 132 CO 0.50 0.15 1.17 -1.71 0.70 0.00 0.00 175.22 176.03 1og0 n ASN 133 N 1.17 -1.71 -0.35 1.36 2.85 -0.77 -5.02 115.26 112.78 1og0 n ASN 133 Ca -0.20 -2.25 0.09 0.00 -0.11 0.00 0.00 54.58 52.12 1og0 n ASN 133 Cb 0.54 1.10 0.27 0.00 1.24 0.00 0.00 39.78 42.92 1og0 n ASN 133 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1og0 h ILE 134 N 1.67 0.82 -0.52 -1.44 2.04 -1.63 0.27 117.51 118.73 1og0 h ILE 134 Ca -0.22 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.41 1og0 h ILE 134 Cb 1.16 -0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1og0 h ILE 134 CO -0.03 0.16 0.19 0.78 0.00 0.00 0.00 178.15 179.24 1og0 h ASN 135 N 0.87 0.19 0.20 1.72 2.35 -1.92 0.78 115.58 119.77 1og0 h ASN 135 Ca 0.53 0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 56.20 1og0 h ASN 135 Cb 0.67 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1og0 h ASN 135 CO -0.32 0.13 -0.54 0.50 -1.65 0.00 0.00 177.43 175.55 1og0 h LYS 136 N 0.36 0.36 -0.34 0.81 3.64 -1.53 -2.46 116.57 117.41 1og0 h LYS 136 Ca 0.25 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1og0 h LYS 136 Cb 0.28 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1og0 h LYS 136 CO -0.26 0.81 0.18 0.78 -2.27 0.00 0.00 179.45 178.70 1og0 h GLY 137 N 1.27 0.52 1.64 5.01 0.00 0.15 0.29 103.07 111.95 1og0 h GLY 137 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1og0 h GLY 137 CO 0.09 0.23 -0.01 1.41 0.00 0.00 0.00 176.54 178.26 1og0 h LEU 138 N 0.43 0.42 -0.01 3.11 3.38 0.56 0.20 115.31 123.39 1og0 h LEU 138 Ca 0.12 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1og0 h LEU 138 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1og0 h LEU 138 CO -0.02 0.49 0.00 1.56 0.09 0.00 0.00 178.44 180.57 1og0 h GLN 139 N 0.43 0.02 0.05 1.13 4.20 -0.90 -0.49 115.11 119.55 1og0 h GLN 139 Ca 0.09 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1og0 h GLN 139 Cb 0.31 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1og0 h GLN 139 CO 0.01 0.31 -0.09 0.77 -0.67 0.00 0.00 178.83 179.16 1og0 h SER 140 N -0.28 -0.24 -0.25 1.46 0.02 -0.58 0.18 113.55 113.85 1og0 h SER 140 Ca 0.00 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1og0 h SER 140 Cb 0.30 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.86 1og0 h SER 140 CO 0.00 -0.14 -0.40 0.00 -1.14 0.00 0.00 176.83 175.16 1og0 h ALA 141 N 0.75 -0.46 -0.53 3.77 0.00 -0.54 0.25 119.26 122.50 1og0 h ALA 141 Ca 0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1og0 h ALA 141 Cb 0.19 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1og0 h ALA 141 CO -0.05 -0.86 0.01 -0.09 0.00 0.00 0.00 179.25 178.25 1og0 h ARG 142 N -0.40 0.89 -0.30 0.00 2.43 -0.80 -1.44 114.38 114.77 1og0 h ARG 142 Ca 0.11 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1og0 h ARG 142 Cb 0.59 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1og0 h ARG 142 CO -0.47 0.88 0.16 0.37 -1.51 0.00 0.00 179.97 179.41 1og0 h GLN 143 N 0.83 0.41 0.13 0.20 5.75 -0.00 -0.53 115.11 121.90 1og0 h GLN 143 Ca 0.16 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1og0 h GLN 143 Cb 0.48 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1og0 h GLN 143 CO 0.02 0.35 -0.35 1.25 -2.65 0.00 0.00 178.83 177.45 1og0 h LEU 144 N 0.36 -1.02 -1.21 -2.39 5.85 -0.22 0.34 115.31 117.02 1og0 h LEU 144 Ca 0.10 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1og0 h LEU 144 Cb 0.06 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 1og0 h LEU 144 CO -0.02 -0.44 0.58 -0.26 -0.34 0.00 0.00 178.44 177.96 1og0 h PHE 145 N -0.59 0.93 -0.15 1.25 -1.00 -1.05 -0.76 116.94 115.58 1og0 h PHE 145 Ca 0.03 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.78 1og0 h PHE 145 Cb 0.62 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 1og0 h PHE 145 CO -0.31 0.40 -0.09 0.28 -1.61 0.00 0.00 178.31 176.98 1og0 h VAL 146 N 0.84 1.33 -0.55 -0.55 2.07 -0.04 -1.99 116.25 117.35 1og0 h VAL 146 Ca 0.43 -1.18 0.08 0.00 0.82 0.00 0.00 66.70 66.85 1og0 h VAL 146 Cb 0.51 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1og0 h VAL 146 CO -0.19 0.35 0.20 0.78 0.02 0.00 0.00 177.57 178.72 1og0 h ASN 147 N -0.03 0.20 0.46 0.57 2.35 0.61 0.28 115.58 120.02 1og0 h ASN 147 Ca 0.03 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1og0 h ASN 147 Cb 0.59 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1og0 h ASN 147 CO 0.03 0.13 -0.22 -0.07 -1.65 0.00 0.00 177.43 175.64 1og0 h LEU 148 N 0.38 -0.53 -2.44 1.61 3.38 -1.17 -3.13 115.31 113.41 1og0 h LEU 148 Ca 0.27 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1og0 h LEU 148 Cb 0.31 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1og0 h LEU 148 CO -0.27 -0.27 0.17 0.71 0.09 0.00 0.00 178.44 178.86 1og0 h THR 149 N -0.83 0.13 0.00 0.22 1.35 -1.35 -1.01 112.91 111.43 1og0 h THR 149 Ca -0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.73 1og0 h THR 149 Cb 0.48 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1og0 h THR 149 CO 0.10 0.00 -0.33 -1.13 -0.25 0.00 0.00 175.52 173.92 1og0 h ASN 150 N 0.00 0.00 -0.39 5.36 -1.24 -0.88 -2.20 115.58 116.24 1og0 h ASN 150 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1og0 h ASN 150 Cb 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1og0 h ASN 150 CO -0.00 0.33 0.00 2.30 -1.29 0.00 0.00 177.43 178.77 1og0 n ILE 151 N -3.91 0.81 -0.65 2.57 -5.35 -0.38 -4.67 119.36 107.78 1og0 n ILE 151 Ca -0.02 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1og0 n ILE 151 Cb 0.39 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 0.95 0.65 3.37 3.28 0.00 -0.82 -5.05 105.19 107.57 1og0 n GLY 152 Ca 0.14 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 4.40 0.92 0.99 2.96 -1.24 -4.97 118.68 121.75 1og0 s LEU 153 Ca 0.00 -0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 1og0 s LEU 153 Cb 0.00 -1.98 0.15 0.00 0.50 0.00 0.00 46.19 44.86 1og0 s LEU 153 CO 0.00 -0.31 1.14 -2.84 -1.32 0.00 0.00 176.35 173.03 1og0 s PRO 154 N 1.54 0.96 0.08 0.98 0.02 -1.26 -3.54 135.00 133.78 1og0 s PRO 154 Ca 0.02 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.59 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 -2.67 -0.07 0.96 -0.33 0.00 0.00 177.00 174.95 1og0 s ILE 155 N -2.65 0.67 0.08 2.83 -4.36 -1.26 -1.41 121.20 115.11 1og0 s ILE 155 Ca 0.67 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.41 1og0 s ILE 155 Cb -0.23 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1og0 s ILE 155 CO 0.58 -0.72 -0.11 -0.83 0.24 0.00 0.00 174.94 174.10 1og0 s GLY 156 N -2.62 0.82 0.23 6.27 0.00 -0.18 -1.13 107.32 110.71 1og0 s GLY 156 Ca 0.06 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.57 1og0 s GLY 156 CO -0.03 -1.14 0.46 -0.45 0.00 0.00 0.00 173.10 171.94 1og0 s SER 157 N -2.13 -0.10 0.03 1.64 0.15 -0.71 -1.32 113.70 111.27 1og0 s SER 157 Ca 0.01 -0.86 -0.21 0.00 0.70 0.00 0.00 55.95 55.59 1og0 s SER 157 Cb -0.06 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.76 1og0 s SER 157 CO 0.01 -1.10 0.62 -0.70 1.20 0.00 0.00 173.24 173.28 1og0 s GLU 158 N -3.99 4.33 -1.25 5.44 2.12 -1.26 -1.62 118.70 122.46 1og0 s GLU 158 Ca 0.20 0.81 -0.14 0.00 0.36 0.00 0.00 54.97 56.20 1og0 s GLU 158 Cb -0.00 -3.32 0.15 0.00 0.26 0.00 0.00 34.13 31.21 1og0 s GLU 158 CO 0.06 0.42 1.60 -1.33 -0.54 0.00 0.00 175.26 175.48 1og0 n MET 159 N 2.47 3.35 0.00 4.30 2.81 -0.51 -4.82 117.12 124.72 1og0 n MET 159 Ca -0.07 -3.64 0.00 0.00 -1.81 0.00 0.00 57.70 52.19 1og0 n MET 159 Cb 0.51 -3.12 0.00 0.00 -0.71 0.00 0.00 33.22 29.89 1og0 n MET 159 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1og0 n LEU 160 N 5.93 0.12 -4.72 4.03 7.99 -1.26 -4.87 117.00 124.21 1og0 n LEU 160 Ca 0.40 0.72 -0.30 0.00 -0.01 0.00 0.00 56.01 56.82 1og0 n LEU 160 Cb 0.42 -0.46 0.13 0.00 -0.11 0.00 0.00 43.42 43.40 1og0 n LEU 160 CO 0.69 -0.46 0.68 -0.62 -1.51 0.00 0.00 177.39 176.17 1og0 s ASP 161 N -2.40 3.73 0.00 -1.43 -1.08 -1.26 -4.98 116.67 109.25 1og0 s ASP 161 Ca 0.00 1.70 0.22 0.00 -0.52 0.00 0.00 52.55 53.95 1og0 s ASP 161 Cb 0.00 -2.36 0.16 0.00 -1.46 0.00 0.00 42.92 39.26 1og0 s ASP 161 CO 0.00 -2.51 1.18 1.07 0.52 0.00 0.00 175.17 175.44 1og0 n THR 162 N -3.82 0.00 0.00 1.71 5.66 -1.26 -4.47 114.28 112.10 1og0 n THR 162 Ca 0.08 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1og0 n THR 162 Cb 0.54 1.44 0.00 0.00 -1.55 0.00 0.00 70.33 70.76 1og0 n THR 162 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1og0 n ILE 163 N 1.12 0.00 -0.35 1.09 5.41 -1.26 -4.74 119.36 120.63 1og0 n ILE 163 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.98 1og0 n ILE 163 Cb 0.54 -0.91 0.21 0.00 -0.71 0.00 0.00 39.64 38.77 1og0 n ILE 163 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1og0 n SER 164 N -2.69 -0.24 -0.29 4.38 2.88 -1.26 -1.49 113.62 114.90 1og0 n SER 164 Ca 0.00 1.69 0.12 0.00 -1.33 0.00 0.00 58.87 59.35 1og0 n SER 164 Cb 0.48 -0.56 0.28 0.00 -0.75 0.00 0.00 64.21 63.67 1og0 n SER 164 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1og0 h PRO 165 N 0.00 0.30 -1.01 -1.46 0.11 -1.87 -1.31 132.00 126.76 1og0 h PRO 165 Ca 0.53 -0.02 0.29 0.00 0.11 0.00 0.00 66.00 66.92 1og0 h PRO 165 Cb 0.97 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 1og0 h PRO 165 CO -0.97 0.20 0.89 1.96 -0.21 0.00 0.00 178.00 179.87 1og0 h GLN 166 N 0.31 0.00 0.00 1.05 1.08 -1.61 0.92 115.11 116.86 1og0 h GLN 166 Ca 0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 1og0 h GLN 166 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1og0 h GLN 166 CO -0.57 0.00 -0.57 0.66 -0.95 0.00 0.00 178.83 177.40 1og0 n TYR 167 N -3.77 0.13 -0.27 2.96 4.02 -0.50 -4.54 117.16 115.19 1og0 n TYR 167 Ca 0.22 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1og0 n TYR 167 Cb 1.22 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 40.20 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 -1.66 0.07 0.30 7.72 4.77 0.27 -4.86 117.00 123.61 1og0 n LEU 168 Ca 0.05 -0.14 0.16 0.00 -0.03 0.00 0.00 56.01 56.05 1og0 n LEU 168 Cb 0.36 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.33 1og0 n LEU 168 CO 0.36 0.02 1.07 0.00 -1.33 0.00 0.00 177.39 177.51 1og0 h ALA 169 N 0.00 1.17 0.00 -1.18 0.00 -0.25 -1.94 119.26 117.06 1og0 h ALA 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1og0 h ALA 169 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1og0 h ALA 169 CO 0.00 -0.17 -0.11 0.38 0.00 0.00 0.00 179.25 179.35 1og0 h ASP 170 N 0.00 0.00 -0.01 0.00 2.03 -1.89 -3.29 116.42 113.26 1og0 h ASP 170 Ca 0.00 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1og0 h ASP 170 Cb 0.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1og0 h ASP 170 CO 0.00 0.01 -0.45 0.18 -1.03 0.00 0.00 179.24 177.95 1og0 n LEU 171 N -2.66 1.34 -4.81 0.15 4.77 -0.73 -4.82 117.00 110.24 1og0 n LEU 171 Ca 0.04 -0.68 -0.38 0.00 -0.03 0.00 0.00 56.01 54.96 1og0 n LEU 171 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1og0 n LEU 171 CO 0.33 0.27 0.14 -0.69 -1.33 0.00 0.00 177.39 176.11 1og0 s VAL 172 N -2.05 5.01 -0.07 4.08 1.01 -1.18 -4.58 120.40 122.62 1og0 s VAL 172 Ca 0.11 0.92 0.12 0.00 0.00 0.00 0.00 61.98 63.13 1og0 s VAL 172 Cb 0.12 -3.76 -0.18 0.00 0.00 0.00 0.00 36.38 32.57 1og0 s VAL 172 CO 0.47 0.53 0.17 -1.20 0.00 0.00 0.00 175.10 175.07 1og0 n SER 173 N 2.13 1.96 -3.84 3.32 7.64 -0.29 -4.91 113.62 119.63 1og0 n SER 173 Ca -0.12 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.63 1og0 n SER 173 Cb 0.52 1.23 -0.14 0.00 -1.01 0.00 0.00 64.21 64.81 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 -2.63 -0.05 -0.09 1.43 5.36 -1.15 -4.18 117.98 116.68 1og0 s PHE 174 Ca -0.05 0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 1og0 s PHE 174 Cb 0.06 -0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.74 1og0 s PHE 174 CO 0.53 -0.04 -0.17 0.20 -1.46 0.00 0.00 175.22 174.28 1og0 s GLY 175 N 0.19 1.04 -0.08 13.12 0.00 -0.11 -1.73 107.32 119.74 1og0 s GLY 175 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1og0 s GLY 175 CO -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 173.10 172.90 1og0 s ALA 176 N 0.60 2.52 -0.26 3.20 0.00 -0.64 0.00 121.76 127.18 1og0 s ALA 176 Ca -0.15 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 1og0 s ALA 176 Cb -0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1og0 s ALA 176 CO 0.05 0.42 0.16 0.42 0.00 0.00 0.00 175.76 176.81 1og0 s ILE 177 N -0.24 5.13 1.05 0.00 -1.09 0.33 -1.43 121.20 124.95 1og0 s ILE 177 Ca 0.00 0.10 -0.13 0.00 -2.23 0.00 0.00 60.65 58.40 1og0 s ILE 177 Cb -0.13 -3.42 0.16 0.00 -1.58 0.00 0.00 42.46 37.49 1og0 s ILE 177 CO 0.03 0.30 0.72 0.61 -1.23 0.00 0.00 174.94 175.37 1og0 n GLY 178 N 4.77 -1.65 0.32 6.18 0.00 -1.26 -2.63 105.19 110.91 1og0 n GLY 178 Ca -0.15 -0.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 1og0 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1og0 h ALA 179 N -2.11 1.19 0.00 4.61 0.00 -1.82 -1.85 119.26 119.28 1og0 h ALA 179 Ca -0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1og0 h ALA 179 Cb 1.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1og0 h ALA 179 CO 0.41 0.58 0.00 0.54 0.00 0.00 0.00 179.25 180.78 1og0 n ARG 180 N -4.29 0.17 0.00 0.00 1.74 -1.26 -3.48 116.66 109.54 1og0 n ARG 180 Ca 0.05 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1og0 n ARG 180 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.34 0.00 -0.21 0.55 -2.24 -0.91 -4.77 114.28 105.36 1og0 n THR 181 Ca 0.07 -0.36 0.30 0.00 -2.27 0.00 0.00 64.05 61.79 1og0 n THR 181 Cb 0.14 1.06 0.73 0.00 -2.10 0.00 0.00 70.33 70.16 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 0.06 0.47 0.00 4.28 2.02 -1.39 0.31 112.91 118.66 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 0.03 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1og0 h THR 182 CO 0.00 0.00 -0.53 -0.62 0.37 0.00 0.00 175.52 174.74 1og0 n GLU 183 N -4.16 0.26 -1.92 6.66 1.02 -1.26 -4.67 120.64 116.57 1og0 n GLU 183 Ca 0.20 0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 57.01 1og0 n GLU 183 Cb 1.06 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 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 -4.13 6.18 0.28 1.62 0.15 0.11 -4.87 113.70 113.03 1og0 s SER 184 Ca 0.07 1.85 0.01 0.00 0.70 0.00 0.00 55.95 58.59 1og0 s SER 184 Cb 0.14 -2.53 0.58 0.00 -1.71 0.00 0.00 66.02 62.50 1og0 s SER 184 CO 0.70 -1.39 1.78 -0.61 1.20 0.00 0.00 173.24 174.93 1og0 h GLN 185 N 11.70 0.72 -0.70 5.44 5.75 -1.89 -0.61 115.11 135.51 1og0 h GLN 185 Ca -0.38 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.14 1og0 h GLN 185 Cb 1.19 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.52 1og0 h GLN 185 CO 0.98 0.47 0.39 1.25 -2.65 0.00 0.00 178.83 179.28 1og0 h LEU 186 N 0.74 0.56 -0.36 -2.39 5.85 -1.93 -0.92 115.31 116.86 1og0 h LEU 186 Ca 0.50 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.24 1og0 h LEU 186 Cb 0.67 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1og0 h LEU 186 CO -0.34 0.35 -0.08 0.45 -0.34 0.00 0.00 178.44 178.48 1og0 h HIS 187 N 0.70 0.00 0.01 1.25 3.86 -1.43 -2.14 115.15 117.40 1og0 h HIS 187 Ca 0.32 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.29 1og0 h HIS 187 Cb 0.24 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.73 1og0 h HIS 187 CO -0.08 0.08 -0.96 0.00 0.86 0.00 0.00 177.93 177.83 1og0 h ARG 188 N 0.00 0.63 -0.62 2.45 3.08 -0.50 -2.20 114.38 117.23 1og0 h ARG 188 Ca -0.00 -0.69 -0.07 0.00 0.07 0.00 0.00 59.98 59.28 1og0 h ARG 188 Cb 0.94 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1og0 h ARG 188 CO 0.01 1.29 0.11 0.93 -1.07 0.00 0.00 179.97 181.24 1og0 h GLU 189 N 0.27 1.02 -0.84 0.04 5.08 -1.16 -2.24 114.58 116.75 1og0 h GLU 189 Ca -0.12 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1og0 h GLU 189 Cb 1.63 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 1og0 h GLU 189 CO 0.19 0.94 0.51 1.25 -1.00 0.00 0.00 179.01 180.90 1og0 h LEU 190 N 0.93 1.00 -1.10 1.33 5.85 -1.38 -2.47 115.31 119.47 1og0 h LEU 190 Ca 0.19 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1og0 h LEU 190 Cb 0.41 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1og0 h LEU 190 CO 0.01 0.77 -0.21 0.00 -0.34 0.00 0.00 178.44 178.67 1og0 h ALA 191 N 1.28 1.24 0.00 1.25 0.00 -1.11 -2.30 119.26 119.61 1og0 h ALA 191 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1og0 h ALA 191 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1og0 h ALA 191 CO -0.06 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1og0 n SER 192 N -4.16 0.00 -0.05 0.00 3.41 -0.87 -2.42 113.62 109.53 1og0 n SER 192 Ca -0.00 0.05 0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1og0 n SER 192 Cb 0.36 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.36 1.29 3.84 5.00 0.00 -0.87 -1.53 105.19 112.56 1og0 n GLY 193 Ca 0.06 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.89 4.22 -0.11 0.99 1.43 -1.01 -4.97 118.68 118.32 1og0 s LEU 194 Ca 0.05 1.24 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 1og0 s LEU 194 Cb 0.04 -3.72 0.18 0.00 0.03 0.00 0.00 46.19 42.72 1og0 s LEU 194 CO 0.00 -0.06 1.21 -1.20 0.23 0.00 0.00 176.35 176.54 1og0 n SER 195 N 0.22 3.13 -3.75 2.29 7.64 -1.26 -4.88 113.62 117.00 1og0 n SER 195 Ca -0.00 -2.41 -0.07 0.00 1.01 0.00 0.00 58.87 57.39 1og0 n SER 195 Cb 0.52 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.91 -0.15 0.36 1.43 -0.12 -1.26 -5.05 117.98 112.27 1og0 s PHE 196 Ca 0.15 -0.33 -0.28 0.00 -0.05 0.00 0.00 56.93 56.42 1og0 s PHE 196 Cb 0.13 0.72 -0.10 0.00 -0.63 0.00 0.00 43.02 43.14 1og0 s PHE 196 CO 0.03 -1.27 1.34 -2.14 -0.05 0.00 0.00 175.22 173.12 1og0 s PRO 197 N -3.73 4.23 -0.10 1.99 0.02 -1.26 -4.82 135.00 131.33 1og0 s PRO 197 Ca 0.12 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.43 1og0 s PRO 197 Cb -0.06 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1og0 s PRO 197 CO 0.07 -0.32 -0.21 0.08 -0.33 0.00 0.00 177.00 176.30 1og0 s VAL 198 N -1.17 1.89 -0.23 3.83 1.01 -0.68 -0.94 120.40 124.11 1og0 s VAL 198 Ca 0.51 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1og0 s VAL 198 Cb -0.40 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1og0 s VAL 198 CO 0.54 0.52 0.12 -0.83 0.00 0.00 0.00 175.10 175.45 1og0 s GLY 199 N 0.52 1.92 -0.34 4.51 0.00 0.10 -1.67 107.32 112.37 1og0 s GLY 199 Ca -0.15 -0.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.52 1og0 s GLY 199 CO 0.05 0.37 0.23 -1.36 0.00 0.00 0.00 173.10 172.39 1og0 s PHE 200 N 1.09 3.22 0.52 1.90 0.08 -0.18 -0.51 117.98 124.10 1og0 s PHE 200 Ca 0.06 -0.28 -0.19 0.00 0.12 0.00 0.00 56.93 56.63 1og0 s PHE 200 Cb -0.14 -2.46 -0.07 0.00 -0.57 0.00 0.00 43.02 39.79 1og0 s PHE 200 CO 0.04 -0.38 1.07 0.15 -0.10 0.00 0.00 175.22 176.00 1og0 s LYS 201 N 1.70 3.56 0.87 0.44 1.02 -1.08 -1.32 119.74 124.93 1og0 s LYS 201 Ca 0.06 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 1og0 s LYS 201 Cb -0.17 -2.05 0.11 0.00 -0.52 0.00 0.00 37.83 35.20 1og0 s LYS 201 CO 0.10 -0.64 1.09 0.54 -0.92 0.00 0.00 175.35 175.52 1og0 s ASN 202 N -2.02 3.73 0.86 2.83 4.22 -0.87 -4.56 114.94 119.13 1og0 s ASN 202 Ca 0.69 1.50 -0.13 0.00 -2.14 0.00 0.00 52.86 52.77 1og0 s ASN 202 Cb -0.19 -2.19 0.05 0.00 1.28 0.00 0.00 41.25 40.20 1og0 s ASN 202 CO 0.25 -2.48 0.73 0.61 -2.04 0.00 0.00 177.10 174.18 1og0 n GLY 203 N -1.27 -1.18 0.07 0.45 0.00 -0.47 -4.62 105.19 98.16 1og0 n GLY 203 Ca 0.07 -0.60 0.09 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 -3.34 1.03 0.58 2.61 -2.24 -1.26 -1.50 114.28 110.16 1og0 n THR 204 Ca 0.10 0.32 0.07 0.00 -2.27 0.00 0.00 64.05 62.26 1og0 n THR 204 Cb 0.52 -1.19 0.19 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.89 2.41 0.00 3.42 3.85 -1.26 -2.76 116.55 120.31 1og0 n ASP 205 Ca 0.02 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 1og0 n ASP 205 Cb 0.16 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 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 1.12 1.52 3.89 6.12 0.00 -0.56 -2.80 105.19 114.48 1og0 n GLY 206 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.30 4.89 -0.25 2.61 -4.23 -1.26 -4.77 115.64 109.33 1og0 s THR 207 Ca 0.00 0.31 0.17 0.00 -1.18 0.00 0.00 61.69 61.00 1og0 s THR 207 Cb 0.00 -3.78 -0.25 0.00 1.34 0.00 0.00 72.50 69.82 1og0 s THR 207 CO 0.00 -0.57 0.48 0.18 -0.54 0.00 0.00 174.62 174.17 1og0 n LEU 208 N -1.51 0.24 -0.25 4.79 4.77 -1.26 -1.37 117.00 122.40 1og0 n LEU 208 Ca 0.01 -0.15 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1og0 n LEU 208 Cb 0.54 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.74 1og0 n LEU 208 CO 0.49 0.06 0.75 0.78 -1.33 0.00 0.00 177.39 178.15 1og0 h ASN 209 N 0.00 -0.56 -0.62 -1.43 4.21 -1.99 0.00 115.58 115.19 1og0 h ASN 209 Ca 0.00 0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 1og0 h ASN 209 Cb 0.68 0.42 -0.03 0.00 -1.12 0.00 0.00 38.32 38.27 1og0 h ASN 209 CO 0.00 -0.22 0.35 -0.37 -1.29 0.00 0.00 177.43 175.89 1og0 h VAL 210 N 0.03 1.19 -0.05 2.81 -1.51 -1.97 -0.01 116.25 116.75 1og0 h VAL 210 Ca 0.37 -0.49 -0.17 0.00 -1.23 0.00 0.00 66.70 65.18 1og0 h VAL 210 Cb 0.61 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 1og0 h VAL 210 CO -0.72 0.22 -0.73 0.00 -1.23 0.00 0.00 177.57 175.11 1og0 h ALA 211 N 1.49 0.66 -0.35 5.19 0.00 -1.32 -1.62 119.26 123.32 1og0 h ALA 211 Ca 0.23 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1og0 h ALA 211 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1og0 h ALA 211 CO -0.04 0.80 -0.20 0.28 0.00 0.00 0.00 179.25 180.09 1og0 h VAL 212 N 0.19 1.29 -0.43 0.00 2.07 -0.52 -2.30 116.25 116.54 1og0 h VAL 212 Ca -0.03 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1og0 h VAL 212 Cb 1.29 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1og0 h VAL 212 CO 0.12 0.43 0.02 0.44 0.02 0.00 0.00 177.57 178.60 1og0 h ASP 213 N 0.53 0.65 -0.24 0.57 3.32 -0.95 -2.11 116.42 118.19 1og0 h ASP 213 Ca 0.07 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1og0 h ASP 213 Cb 0.74 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1og0 h ASP 213 CO 0.06 0.71 0.16 0.00 -1.72 0.00 0.00 179.24 178.44 1og0 h ALA 214 N 1.37 0.30 -0.74 3.45 0.00 -1.08 -0.09 119.26 122.48 1og0 h ALA 214 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1og0 h ALA 214 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1og0 h ALA 214 CO 0.01 -0.22 0.45 0.00 0.00 0.00 0.00 179.25 179.50 1og0 h GLN 216 N 1.01 0.34 -0.18 0.00 1.08 -1.06 -2.81 115.11 113.50 1og0 h GLN 216 Ca 0.27 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1og0 h GLN 216 Cb -0.04 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1og0 h GLN 216 CO -0.05 0.32 0.05 0.00 -0.95 0.00 0.00 178.83 178.21 1og0 h ALA 217 N 1.00 0.24 0.00 3.87 0.00 -0.56 -2.67 119.26 121.14 1og0 h ALA 217 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1og0 h ALA 217 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1og0 h ALA 217 CO -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1og0 n ALA 218 N -2.26 1.17 0.33 0.00 0.00 0.47 -1.25 120.51 118.97 1og0 n ALA 218 Ca -0.04 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1og0 n ALA 218 Cb 0.15 -1.27 0.23 0.00 0.00 0.00 0.00 19.45 18.56 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 2.07 1.00 -1.98 0.00 0.00 -1.20 0.29 119.26 119.44 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 0.08 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.93 1og0 h ALA 219 CO 0.00 0.00 0.09 -1.01 0.00 0.00 0.00 179.25 178.33 1og0 s HIS 220 N -3.18 2.73 0.03 0.00 3.76 -0.38 -3.91 115.29 114.34 1og0 s HIS 220 Ca 0.08 0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.92 1og0 s HIS 220 Cb 0.07 -2.98 -0.06 0.00 1.11 0.00 0.00 32.58 30.72 1og0 s HIS 220 CO 0.65 -1.21 0.66 0.45 -0.85 0.00 0.00 174.74 174.44 1og0 s SER 221 N -4.50 7.08 0.16 1.40 0.15 -1.26 -3.66 113.70 113.07 1og0 s SER 221 Ca 0.60 1.29 0.06 0.00 0.70 0.00 0.00 55.95 58.60 1og0 s SER 221 Cb -0.10 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1og0 s SER 221 CO 0.42 0.10 -0.14 -1.00 1.20 0.00 0.00 173.24 173.82 1og0 s HIS 222 N -0.29 1.51 -0.32 3.44 3.76 -1.25 -4.93 115.29 117.21 1og0 s HIS 222 Ca 0.34 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 1og0 s HIS 222 Cb -0.19 -0.75 0.09 0.00 1.11 0.00 0.00 32.58 32.84 1og0 s HIS 222 CO 0.20 0.22 0.03 -1.01 -0.85 0.00 0.00 174.74 173.32 1og0 s HIS 223 N -2.63 3.38 0.27 1.40 3.76 -1.26 -0.81 115.29 119.39 1og0 s HIS 223 Ca 0.15 -2.69 0.02 0.00 -0.15 0.00 0.00 55.06 52.40 1og0 s HIS 223 Cb -0.02 -2.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 1og0 s HIS 223 CO 0.04 -0.92 0.07 1.97 -0.85 0.00 0.00 174.74 175.05 1og0 n PHE 224 N 4.37 0.24 -4.20 1.40 1.16 -0.84 -4.94 117.46 114.65 1og0 n PHE 224 Ca -0.00 -1.63 -0.34 0.00 -1.87 0.00 0.00 57.45 53.61 1og0 n PHE 224 Cb 0.42 -0.05 -0.14 0.00 -1.61 0.00 0.00 39.48 38.10 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 -3.02 3.36 0.05 3.97 -1.94 -1.26 0.40 119.30 120.87 1og0 s MET 225 Ca 0.10 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1og0 s MET 225 Cb 0.00 -2.86 -0.00 0.00 2.01 0.00 0.00 34.83 33.98 1og0 s MET 225 CO 0.07 -0.05 0.04 0.45 -0.01 0.00 0.00 175.02 175.52 1og0 n SER 226 N 4.34 -0.10 -4.64 3.03 2.88 -1.01 -4.96 113.62 113.16 1og0 n SER 226 Ca -0.18 -1.30 -0.30 0.00 -1.33 0.00 0.00 58.87 55.76 1og0 n SER 226 Cb 0.51 0.24 -0.09 0.00 -0.75 0.00 0.00 64.21 64.12 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 -2.20 3.71 1.01 2.46 -7.23 -1.26 -1.11 120.40 115.78 1og0 s VAL 227 Ca 0.05 -1.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 1og0 s VAL 227 Cb 0.00 -2.76 0.23 0.00 0.56 0.00 0.00 36.38 34.41 1og0 s VAL 227 CO 0.04 0.10 1.35 0.42 -0.31 0.00 0.00 175.10 176.69 1og0 s THR 228 N -1.30 1.97 0.53 5.32 -4.23 0.13 -4.87 115.64 113.20 1og0 s THR 228 Ca 0.24 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.13 1og0 s THR 228 Cb -0.11 -2.97 0.40 0.00 1.34 0.00 0.00 72.50 71.16 1og0 s THR 228 CO 0.16 0.00 2.26 0.11 -0.54 0.00 0.00 174.62 176.61 1og0 h LYS 229 N -1.84 0.00 -0.58 3.99 1.79 -1.95 -1.88 116.57 116.10 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 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1og0 h LYS 229 CO 0.31 0.02 0.00 0.72 -1.08 0.00 0.00 179.45 179.42 1og0 n HIS 230 N -3.29 0.95 -1.07 -1.35 8.25 -1.26 0.19 115.22 117.63 1og0 n HIS 230 Ca -0.02 -0.40 -0.02 0.00 -0.26 0.00 0.00 57.72 57.01 1og0 n HIS 230 Cb 0.13 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 1.05 0.58 3.71 -1.41 0.00 -0.71 -4.88 105.19 103.53 1og0 n GLY 231 Ca 0.18 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.02 4.24 0.19 1.61 1.01 -1.26 -4.83 120.40 119.33 1og0 s VAL 232 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1og0 s VAL 232 Cb 0.00 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 1og0 s VAL 232 CO 0.00 0.26 1.10 0.00 0.00 0.00 0.00 175.10 176.46 1og0 s ALA 233 N -1.21 3.37 0.16 5.51 0.00 -1.26 0.22 121.76 128.55 1og0 s ALA 233 Ca 0.23 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1og0 s ALA 233 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1og0 s ALA 233 CO 0.15 -0.20 0.37 0.00 0.00 0.00 0.00 175.76 176.07 1og0 s ALA 234 N -0.32 -0.44 -0.53 0.00 0.00 -0.27 -4.89 121.76 115.31 1og0 s ALA 234 Ca 0.49 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.67 1og0 s ALA 234 Cb -0.30 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.66 1og0 s ALA 234 CO 0.35 -0.68 0.93 0.42 0.00 0.00 0.00 175.76 176.78 1og0 s ILE 235 N -3.91 4.41 0.33 0.00 1.01 -1.26 -2.39 121.20 119.39 1og0 s ILE 235 Ca 0.11 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.97 1og0 s ILE 235 Cb 0.02 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.89 1og0 s ILE 235 CO -0.04 -1.04 0.79 -0.89 0.00 0.00 0.00 174.94 173.76 1og0 s THR 236 N 3.88 4.59 -0.13 2.92 2.01 0.16 -4.93 115.64 124.15 1og0 s THR 236 Ca 0.32 1.13 -0.01 0.00 0.31 0.00 0.00 61.69 63.44 1og0 s THR 236 Cb -0.12 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1og0 s THR 236 CO 0.21 -0.15 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.06 1og0 s THR 237 N -1.95 0.86 0.36 -0.82 2.01 -1.26 -1.99 115.64 112.86 1og0 s THR 237 Ca 0.54 -0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 1og0 s THR 237 Cb -0.11 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 1og0 s THR 237 CO 0.17 0.21 0.58 0.42 -0.69 0.00 0.00 174.62 175.31 1og0 s THR 238 N 1.76 5.08 -0.08 -0.82 -4.23 0.01 -4.96 115.64 112.39 1og0 s THR 238 Ca 0.03 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.32 1og0 s THR 238 Cb -0.14 -3.86 -0.18 0.00 1.34 0.00 0.00 72.50 69.67 1og0 s THR 238 CO -0.07 -0.59 0.77 0.50 -0.54 0.00 0.00 174.62 174.68 1og0 h LYS 239 N 0.71 0.00 0.00 3.99 3.64 -1.87 -3.33 116.57 119.71 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 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1og0 h LYS 239 CO 0.61 0.39 0.00 0.41 -2.27 0.00 0.00 179.45 178.59 1og0 n GLY 240 N 1.46 2.71 3.20 5.01 0.00 -0.58 -4.37 105.19 112.63 1og0 n GLY 240 Ca -0.13 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 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 3.77 0.00 1.61 3.84 0.10 -4.86 114.94 119.40 1og0 s ASN 241 Ca 0.00 -0.59 0.22 0.00 0.21 0.00 0.00 52.86 52.69 1og0 s ASN 241 Cb 0.00 -1.61 0.52 0.00 -0.55 0.00 0.00 41.25 39.61 1og0 s ASN 241 CO 0.00 -0.03 1.44 -1.84 -2.79 0.00 0.00 177.10 173.88 1og0 n GLU 242 N 4.69 2.30 -1.93 0.43 0.00 -1.26 -3.52 120.64 121.36 1og0 n GLU 242 Ca -0.19 -1.97 -0.32 0.00 0.00 0.00 0.00 57.16 54.67 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 1.17 3.10 -4.30 -1.84 8.25 -1.26 -4.89 115.22 115.46 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 0.52 -0.81 -0.12 0.00 1.12 0.00 0.00 29.99 30.70 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 0.50 1.93 -0.06 0.00 -0.71 -0.67 -4.51 117.98 114.46 1og0 s PHE 245 Ca -0.02 -1.03 -0.07 0.00 -1.04 0.00 0.00 56.93 54.76 1og0 s PHE 245 Cb -0.14 -1.28 -0.04 0.00 -1.21 0.00 0.00 43.02 40.34 1og0 s PHE 245 CO 0.02 -0.05 0.21 0.08 -1.34 0.00 0.00 175.22 174.15 1og0 s VAL 246 N -3.24 5.39 -0.14 -2.49 1.01 -1.26 -1.01 120.40 118.67 1og0 s VAL 246 Ca 0.31 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1og0 s VAL 246 Cb 0.07 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1og0 s VAL 246 CO 0.15 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.94 1og0 s ILE 247 N -1.15 2.49 -0.23 2.22 1.01 -0.44 -1.73 121.20 123.37 1og0 s ILE 247 Ca 0.21 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 1og0 s ILE 247 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1og0 s ILE 247 CO 0.11 0.53 0.45 -0.76 0.00 0.00 0.00 174.94 175.27 1og0 s LEU 248 N 0.66 4.10 -0.02 2.97 1.43 0.07 -2.05 118.68 125.83 1og0 s LEU 248 Ca -0.09 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1og0 s LEU 248 Cb -0.16 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.56 1og0 s LEU 248 CO 0.02 -0.18 1.04 -2.11 0.23 0.00 0.00 176.35 175.35 1og0 n ARG 249 N 5.03 0.23 0.00 1.70 -4.01 -1.26 0.23 116.66 118.57 1og0 n ARG 249 Ca -0.06 -1.37 0.00 0.00 -1.04 0.00 0.00 57.85 55.38 1og0 n ARG 249 Cb 0.50 -0.64 0.00 0.00 -3.04 0.00 0.00 32.46 29.29 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 -0.21 -2.02 0.00 2.89 0.00 -1.26 -0.69 105.19 103.91 1og0 n GLY 250 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 -0.45 0.30 -0.02 0.00 -1.24 -4.12 105.19 99.66 1og0 n GLY 251 Ca 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.61 1og0 n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1og0 h LYS 252 N 1.13 1.01 0.00 1.61 1.79 -1.56 -0.54 116.57 120.00 1og0 h LYS 252 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1og0 h LYS 252 Cb 0.00 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.42 1og0 h LYS 252 CO 0.00 0.67 0.00 1.17 -1.08 0.00 0.00 179.45 180.21 1og0 n LYS 253 N -4.56 0.08 0.00 3.15 4.81 -1.12 -4.95 118.16 115.57 1og0 n LYS 253 Ca 0.08 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1og0 n LYS 253 Cb 0.03 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1og0 n LYS 253 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1og0 n GLY 254 N -0.41 2.51 3.71 3.14 0.00 -0.21 -5.00 105.19 108.93 1og0 n GLY 254 Ca 0.04 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1og0 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1og0 n THR 255 N 0.58 0.78 -2.33 2.61 -2.24 -1.26 -3.70 114.28 108.72 1og0 n THR 255 Ca 0.00 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.35 1og0 n THR 255 Cb 0.00 -1.79 0.01 0.00 -2.10 0.00 0.00 70.33 66.46 1og0 n THR 255 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1og0 n ASN 256 N 2.50 4.49 -1.11 3.42 0.23 -1.26 -4.77 115.26 118.76 1og0 n ASN 256 Ca 0.11 -3.61 0.08 0.00 -0.53 0.00 0.00 54.58 50.63 1og0 n ASN 256 Cb 0.34 -0.42 0.27 0.00 -2.08 0.00 0.00 39.78 37.89 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 -0.55 1.03 -3.13 -2.53 0.18 -1.26 -4.42 117.16 106.48 1og0 n TYR 257 Ca 0.38 -0.66 -0.18 0.00 1.88 0.00 0.00 57.90 59.33 1og0 n TYR 257 Cb 0.79 -0.20 0.01 0.00 -0.38 0.00 0.00 39.34 39.55 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 -1.23 5.74 0.37 9.48 -4.77 -1.26 -4.55 116.67 120.45 1og0 s ASP 258 Ca 0.40 -0.34 0.04 0.00 -3.30 0.00 0.00 52.55 49.35 1og0 s ASP 258 Cb 0.27 -0.83 0.73 0.00 -1.09 0.00 0.00 42.92 42.00 1og0 s ASP 258 CO 0.17 -0.67 2.02 0.00 0.70 0.00 0.00 175.17 177.39 1og0 h ALA 259 N 0.70 1.60 -0.24 2.11 0.00 -1.94 0.14 119.26 121.62 1og0 h ALA 259 Ca -0.42 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 1og0 h ALA 259 Cb 1.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1og0 h ALA 259 CO 0.47 0.36 -0.54 -0.22 0.00 0.00 0.00 179.25 179.33 1og0 h LYS 260 N 0.70 0.78 -0.40 0.00 3.64 -1.98 -1.09 116.57 118.22 1og0 h LYS 260 Ca 0.19 -0.53 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 1og0 h LYS 260 Cb -0.04 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1og0 h LYS 260 CO -0.04 1.15 0.06 0.77 -2.27 0.00 0.00 179.45 179.12 1og0 h SER 261 N 0.53 0.65 -0.42 4.20 0.02 -1.77 -1.73 113.55 115.03 1og0 h SER 261 Ca 0.00 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1og0 h SER 261 Cb 1.15 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1og0 h SER 261 CO 0.12 0.75 0.23 0.58 -1.14 0.00 0.00 176.83 177.36 1og0 h VAL 262 N 0.52 1.15 -0.10 2.27 2.07 -0.69 -1.23 116.25 120.24 1og0 h VAL 262 Ca 0.12 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 1og0 h VAL 262 Cb 0.38 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1og0 h VAL 262 CO 0.01 0.17 -0.67 0.00 0.02 0.00 0.00 177.57 177.10 1og0 h ALA 263 N 1.63 0.66 -0.71 1.67 0.00 -0.84 -1.76 119.26 119.91 1og0 h ALA 263 Ca 0.16 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1og0 h ALA 263 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1og0 h ALA 263 CO -0.02 0.74 0.26 0.93 0.00 0.00 0.00 179.25 181.15 1og0 h GLU 264 N 0.30 1.06 0.85 0.00 5.08 -0.59 -2.77 114.58 118.50 1og0 h GLU 264 Ca -0.02 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1og0 h GLU 264 Cb 1.22 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1og0 h GLU 264 CO 0.12 0.88 -0.41 0.00 -1.00 0.00 0.00 179.01 178.59 1og0 h ALA 265 N 1.25 -1.15 -0.90 3.43 0.00 -1.04 -3.22 119.26 117.64 1og0 h ALA 265 Ca 0.24 -0.25 0.25 0.00 0.00 0.00 0.00 54.91 55.14 1og0 h ALA 265 Cb 0.23 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 18.31 1og0 h ALA 265 CO -0.02 -1.06 0.20 0.87 0.00 0.00 0.00 179.25 179.24 1og0 h LYS 266 N -1.30 0.15 0.00 0.00 1.57 -1.23 0.55 116.57 116.32 1og0 h LYS 266 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1og0 h LYS 266 Cb 0.87 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1og0 h LYS 266 CO 0.19 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1og0 n ALA 267 N -2.77 1.95 -0.07 3.86 0.00 -1.06 -2.22 120.51 120.21 1og0 n ALA 267 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1og0 n ALA 267 Cb 0.71 -1.25 -0.16 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.16 0.76 -2.16 0.00 6.02 0.19 -4.96 117.38 116.08 1og0 n GLN 268 Ca 0.09 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1og0 n GLN 268 Cb 0.09 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 -5.15 4.40 0.00 1.08 1.43 -0.94 -5.04 118.68 114.46 1og0 s LEU 269 Ca -0.09 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.48 1og0 s LEU 269 Cb 0.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1og0 s LEU 269 CO 0.82 -0.59 0.00 -0.81 0.23 0.00 0.00 176.35 176.01 1og0 n PRO 270 N 2.65 2.15 -1.58 1.29 -0.04 -1.26 -5.01 135.00 133.21 1og0 n PRO 270 Ca 0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 1og0 n PRO 270 Cb 0.42 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.96 1og0 n PRO 270 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1og0 s ALA 271 N -2.38 2.23 -1.74 0.55 0.00 -1.26 -2.91 121.76 116.26 1og0 s ALA 271 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1og0 s ALA 271 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1og0 s ALA 271 CO 0.00 -1.72 0.00 0.41 0.00 0.00 0.00 175.76 174.45 1og0 n GLY 272 N 0.50 -0.03 3.68 0.00 0.00 -1.26 -4.95 105.19 103.14 1og0 n GLY 272 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1og0 n GLY 272 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1og0 s SER 273 N -2.17 6.62 0.15 1.61 0.15 -1.14 -5.05 113.70 113.87 1og0 s SER 273 Ca 0.00 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1og0 s SER 273 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1og0 s SER 273 CO 0.00 -0.12 0.00 0.59 1.20 0.00 0.00 173.24 174.91 1og0 n ASN 274 N 4.38 -0.12 -4.79 5.45 3.02 -1.26 -5.03 115.26 116.91 1og0 n ASN 274 Ca -0.05 -0.09 -0.24 0.00 -0.03 0.00 0.00 54.58 54.17 1og0 n ASN 274 Cb 0.51 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.76 1og0 n ASN 274 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1og0 s GLY 275 N -1.24 1.77 -0.02 7.41 0.00 -0.35 -4.96 107.32 109.92 1og0 s GLY 275 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.31 1og0 s GLY 275 CO 0.00 -0.94 0.11 1.08 0.00 0.00 0.00 173.10 173.35 1og0 s LEU 276 N -5.09 4.04 0.07 0.66 1.43 -0.22 -4.08 118.68 115.50 1og0 s LEU 276 Ca 0.63 0.23 0.09 0.00 -1.03 0.00 0.00 54.13 54.04 1og0 s LEU 276 Cb -0.08 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1og0 s LEU 276 CO 0.43 0.29 -0.22 -0.32 0.23 0.00 0.00 176.35 176.76 1og0 s MET 277 N -1.66 1.84 -0.08 1.70 -2.45 -0.70 -1.31 119.30 116.65 1og0 s MET 277 Ca 0.22 -1.11 0.03 0.00 -1.25 0.00 0.00 55.69 53.59 1og0 s MET 277 Cb -0.12 -2.07 0.01 0.00 1.25 0.00 0.00 34.83 33.90 1og0 s MET 277 CO 0.13 0.51 -0.17 0.42 1.05 0.00 0.00 175.02 176.96 1og0 s ILE 278 N -0.95 1.53 -0.45 10.11 1.01 -0.77 -0.75 121.20 130.93 1og0 s ILE 278 Ca 0.14 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.88 1og0 s ILE 278 Cb -0.10 -1.35 0.03 0.00 0.01 0.00 0.00 42.46 41.05 1og0 s ILE 278 CO 0.05 0.44 0.60 -0.62 0.00 0.00 0.00 174.94 175.41 1og0 s ASP 279 N 0.50 6.28 0.31 3.58 2.15 0.13 -0.51 116.67 129.11 1og0 s ASP 279 Ca -0.16 -0.52 0.23 0.00 0.43 0.00 0.00 52.55 52.53 1og0 s ASP 279 Cb -0.17 -2.29 1.13 0.00 -0.30 0.00 0.00 42.92 41.29 1og0 s ASP 279 CO 0.06 -0.76 1.71 1.88 -0.17 0.00 0.00 175.17 177.89 1og0 h TYR 280 N 8.87 0.00 -3.82 -5.34 -1.99 -1.69 -3.39 116.97 109.61 1og0 h TYR 280 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1og0 h TYR 280 Cb 1.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1og0 h TYR 280 CO 0.71 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 179.30 1og0 n SER 281 N -2.29 0.34 0.00 3.88 7.64 -1.26 -2.56 113.62 119.36 1og0 n SER 281 Ca 0.00 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1og0 n SER 281 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -0.68 0.00 0.13 1.43 8.25 -1.26 -2.55 115.22 120.54 1og0 n HIS 282 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1og0 n HIS 282 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.18 1.19 -1.41 0.00 -1.22 -2.20 103.07 98.26 1og0 h GLY 283 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 47.33 48.05 1og0 h GLY 283 CO 0.00 -0.29 0.35 3.43 0.00 0.00 0.00 176.54 180.03 1og0 h ASN 284 N -0.74 0.32 0.96 0.19 2.35 -1.14 0.14 115.58 117.66 1og0 h ASN 284 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1og0 h ASN 284 Cb 0.73 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1og0 h ASN 284 CO -0.25 0.20 0.00 -1.28 -1.65 0.00 0.00 177.43 174.45 1og0 h SER 285 N 0.36 0.00 -5.86 5.81 0.87 -1.18 -3.47 113.55 110.09 1og0 h SER 285 Ca 0.23 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.43 1og0 h SER 285 Cb 0.45 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 62.53 1og0 h SER 285 CO -0.06 0.00 -0.84 -3.20 -0.53 0.00 0.00 176.83 172.20 1og0 n ASN 286 N -3.01 -3.20 0.00 6.23 5.15 0.47 -2.77 115.26 118.12 1og0 n ASN 286 Ca 0.01 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.21 1og0 n ASN 286 Cb 0.29 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.06 1og0 n ASN 286 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1og0 n LYS 287 N -3.99 0.00 -3.97 1.20 3.00 -1.25 -4.96 118.16 108.19 1og0 n LYS 287 Ca -0.22 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 57.89 1og0 n LYS 287 Cb 0.65 -3.36 -0.17 0.00 0.00 0.00 0.00 35.03 32.15 1og0 n LYS 287 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1og0 s ASP 288 N -2.59 0.99 0.40 3.14 3.68 -1.12 -5.02 116.67 116.15 1og0 s ASP 288 Ca 0.00 -0.08 0.29 0.00 2.13 0.00 0.00 52.55 54.89 1og0 s ASP 288 Cb 0.00 -0.37 1.29 0.00 -1.45 0.00 0.00 42.92 42.38 1og0 s ASP 288 CO 0.00 -0.11 1.86 2.19 0.13 0.00 0.00 175.17 179.23 1og0 h PHE 289 N 7.57 0.00 0.00 -5.34 -0.00 -1.83 -2.59 116.94 114.75 1og0 h PHE 289 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.64 1og0 h PHE 289 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.09 1og0 h PHE 289 CO 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 178.31 178.80 1og0 h ARG 290 N 0.00 0.00 0.00 6.09 3.08 -1.94 -2.92 114.38 118.70 1og0 h ARG 290 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1og0 h ARG 290 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1og0 h ARG 290 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1og0 n ASN 291 N -2.95 0.00 0.06 7.04 5.03 -0.98 -3.67 115.26 119.80 1og0 n ASN 291 Ca 0.02 -0.19 -0.13 0.00 0.87 0.00 0.00 54.58 55.14 1og0 n ASN 291 Cb 0.35 -0.26 -0.08 0.00 -1.02 0.00 0.00 39.78 38.77 1og0 n ASN 291 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1og0 h GLN 292 N 0.00 -0.13 0.00 3.52 4.20 -1.70 0.27 115.11 121.26 1og0 h GLN 292 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1og0 h GLN 292 Cb 0.23 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1og0 h GLN 292 CO 0.00 0.12 0.00 -1.35 -0.67 0.00 0.00 178.83 176.93 1og0 h PRO 293 N -0.38 0.00 0.09 1.46 0.11 -1.80 -0.29 132.00 131.19 1og0 h PRO 293 Ca -0.01 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.89 1og0 h PRO 293 Cb 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1og0 h PRO 293 CO 0.02 0.00 -1.04 0.87 -0.21 0.00 0.00 178.00 177.64 1og0 h LYS 294 N 0.00 0.19 -0.46 1.05 1.57 -1.54 -2.93 116.57 114.45 1og0 h LYS 294 Ca 0.00 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1og0 h LYS 294 Cb 0.00 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1og0 h LYS 294 CO 0.00 1.16 0.31 0.28 -0.57 0.00 0.00 179.45 180.62 1og0 h VAL 295 N -0.51 1.06 -0.14 0.50 2.07 -0.00 -0.56 116.25 118.68 1og0 h VAL 295 Ca -0.23 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1og0 h VAL 295 Cb 1.56 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1og0 h VAL 295 CO 0.04 0.10 0.04 -1.13 0.02 0.00 0.00 177.57 176.64 1og0 h ASN 296 N 0.54 0.04 -0.46 0.57 -1.24 -1.13 -0.27 115.58 113.62 1og0 h ASN 296 Ca 0.18 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.28 1og0 h ASN 296 Cb 0.07 0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 1og0 h ASN 296 CO -0.04 0.04 0.12 0.44 -1.29 0.00 0.00 177.43 176.70 1og0 h ASP 297 N 0.10 0.07 -0.38 1.15 3.32 -0.92 0.33 116.42 120.10 1og0 h ASP 297 Ca 0.06 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1og0 h ASP 297 Cb 0.04 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1og0 h ASP 297 CO -0.07 0.07 0.08 0.58 -1.72 0.00 0.00 179.24 178.18 1og0 h VAL 298 N 0.27 1.21 0.03 -1.35 2.07 -1.07 -2.72 116.25 114.70 1og0 h VAL 298 Ca 0.22 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1og0 h VAL 298 Cb 0.26 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1og0 h VAL 298 CO -0.26 0.29 -0.02 0.58 0.02 0.00 0.00 177.57 178.18 1og0 h VAL 299 N 0.68 1.38 -0.93 2.57 2.07 0.04 -3.03 116.25 119.03 1og0 h VAL 299 Ca 0.15 -1.53 0.19 0.00 0.82 0.00 0.00 66.70 66.33 1og0 h VAL 299 Cb 0.31 2.37 -0.11 0.00 -1.52 0.00 0.00 31.29 32.34 1og0 h VAL 299 CO 0.00 0.38 0.50 0.00 0.02 0.00 0.00 177.57 178.47 1og0 h GLU 301 N 0.60 0.65 -0.03 0.00 4.81 -1.53 0.44 114.58 119.52 1og0 h GLU 301 Ca 0.55 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.66 1og0 h GLU 301 Cb 0.90 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1og0 h GLU 301 CO -0.42 0.43 -0.36 1.96 -0.73 0.00 0.00 179.01 179.88 1og0 h GLN 302 N 0.67 0.06 0.21 1.92 4.20 -1.03 -2.11 115.11 119.02 1og0 h GLN 302 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1og0 h GLN 302 Cb -0.06 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1og0 h GLN 302 CO -0.05 0.41 -0.10 0.82 -0.67 0.00 0.00 178.83 179.25 1og0 h ILE 303 N 0.05 0.50 -0.68 2.54 2.04 -0.76 0.43 117.51 121.63 1og0 h ILE 303 Ca 0.00 -1.00 0.20 0.00 1.00 0.00 0.00 64.86 65.06 1og0 h ILE 303 Cb 0.67 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1og0 h ILE 303 CO 0.05 0.14 0.51 0.00 0.00 0.00 0.00 178.15 178.85 1og0 h ALA 304 N -0.66 2.60 -0.17 1.87 0.00 -0.12 0.25 119.26 123.03 1og0 h ALA 304 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1og0 h ALA 304 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1og0 h ALA 304 CO 0.05 -0.86 0.00 0.09 0.00 0.00 0.00 179.25 178.52 1og0 n ASN 305 N -4.21 1.98 0.00 0.00 3.02 -0.80 -4.11 115.26 111.14 1og0 n ASN 305 Ca 0.13 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 1og0 n ASN 305 Cb 0.77 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 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 1.20 1.38 3.61 7.41 0.00 0.88 -5.07 105.19 114.61 1og0 n GLY 306 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.20 3.67 0.00 1.61 2.56 0.15 -4.87 118.70 121.63 1og0 s GLU 307 Ca 0.00 1.04 0.24 0.00 0.00 0.00 0.00 54.97 56.25 1og0 s GLU 307 Cb 0.00 -3.99 0.32 0.00 2.00 0.00 0.00 34.13 32.46 1og0 s GLU 307 CO 0.00 -1.44 1.30 0.09 -0.56 0.00 0.00 175.26 174.65 1og0 n ASN 308 N 8.48 1.80 0.04 -1.70 3.02 -1.26 -4.13 115.26 121.51 1og0 n ASN 308 Ca 0.16 -1.38 0.12 0.00 -0.03 0.00 0.00 54.58 53.45 1og0 n ASN 308 Cb 0.48 0.29 0.22 0.00 -0.61 0.00 0.00 39.78 40.15 1og0 n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1og0 n ALA 309 N -0.05 3.04 -2.93 5.41 0.00 -1.26 -4.57 120.51 120.14 1og0 n ALA 309 Ca 0.11 -0.26 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 1og0 n ALA 309 Cb 0.44 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1og0 n ALA 309 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1og0 s ILE 310 N -3.12 4.70 -0.24 0.00 1.01 -1.26 -1.05 121.20 121.23 1og0 s ILE 310 Ca 0.08 -1.40 0.22 0.00 0.00 0.00 0.00 60.65 59.54 1og0 s ILE 310 Cb 0.15 -4.75 0.03 0.00 0.01 0.00 0.00 42.46 37.90 1og0 s ILE 310 CO 0.70 -1.47 1.09 0.71 0.00 0.00 0.00 174.94 175.98 1og0 h THR 311 N 5.83 0.07 -3.73 2.92 1.35 -1.44 -3.48 112.91 114.44 1og0 h THR 311 Ca 0.07 -1.14 -0.07 0.00 -0.55 0.00 0.00 66.41 64.72 1og0 h THR 311 Cb 1.03 1.64 -0.10 0.00 -1.73 0.00 0.00 68.15 68.99 1og0 h THR 311 CO 1.11 0.04 -0.17 -0.83 -0.25 0.00 0.00 175.52 175.43 1og0 s GLY 312 N -4.40 0.60 0.03 5.82 0.00 -0.74 -0.58 107.32 108.07 1og0 s GLY 312 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.68 1og0 s GLY 312 CO 0.78 -0.69 0.21 -1.34 0.00 0.00 0.00 173.10 172.05 1og0 s VAL 313 N -4.03 0.10 -0.03 1.40 -7.23 -0.25 -1.85 120.40 108.52 1og0 s VAL 313 Ca 0.23 -0.82 0.07 0.00 -1.81 0.00 0.00 61.98 59.66 1og0 s VAL 313 Cb 0.00 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 1og0 s VAL 313 CO 0.09 -0.45 -0.24 -0.32 -0.31 0.00 0.00 175.10 173.87 1og0 s MET 314 N -2.31 2.04 -0.03 4.82 0.00 0.33 -1.82 119.30 122.33 1og0 s MET 314 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 55.69 54.80 1og0 s MET 314 Cb -0.02 -1.90 0.00 0.00 0.00 0.00 0.00 34.83 32.91 1og0 s MET 314 CO -0.02 0.47 -0.08 0.42 0.00 0.00 0.00 175.02 175.80 1og0 s ILE 315 N -0.43 0.75 -0.83 10.11 1.01 0.00 -1.97 121.20 129.83 1og0 s ILE 315 Ca 0.06 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1og0 s ILE 315 Cb -0.10 -0.67 0.16 0.00 0.01 0.00 0.00 42.46 41.85 1og0 s ILE 315 CO 0.00 0.24 0.91 -1.61 0.00 0.00 0.00 174.94 174.48 1og0 s GLU 316 N 0.25 3.50 0.12 2.79 0.41 -1.26 -2.12 118.70 122.39 1og0 s GLU 316 Ca -0.04 -1.94 0.09 0.00 -0.41 0.00 0.00 54.97 52.67 1og0 s GLU 316 Cb -0.09 -4.61 -0.04 0.00 -1.78 0.00 0.00 34.13 27.62 1og0 s GLU 316 CO 0.00 -1.55 -0.18 0.45 -0.49 0.00 0.00 175.26 173.50 1og0 s SER 317 N 3.07 3.87 0.33 -0.19 0.15 -0.50 -1.67 113.70 118.75 1og0 s SER 317 Ca 0.23 -0.57 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 1og0 s SER 317 Cb -0.10 -0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1og0 s SER 317 CO -0.06 0.17 0.45 0.21 1.20 0.00 0.00 173.24 175.21 1og0 s ASN 318 N -2.18 0.85 0.24 5.45 3.84 -0.73 0.31 114.94 122.72 1og0 s ASN 318 Ca 0.18 -1.46 -0.03 0.00 0.21 0.00 0.00 52.86 51.77 1og0 s ASN 318 Cb -0.10 0.64 0.27 0.00 -0.55 0.00 0.00 41.25 41.51 1og0 s ASN 318 CO 0.10 -1.25 1.70 0.40 -2.79 0.00 0.00 177.10 175.26 1og0 h ILE 319 N 2.14 1.26 -3.61 -5.21 2.04 -1.84 -2.05 117.51 110.23 1og0 h ILE 319 Ca -0.28 -1.15 -0.43 0.00 1.00 0.00 0.00 64.86 64.00 1og0 h ILE 319 Cb 1.24 1.03 -0.32 0.00 -0.74 0.00 0.00 36.82 38.03 1og0 h ILE 319 CO 0.39 0.39 -0.78 0.20 0.00 0.00 0.00 178.15 178.35 1og0 s ASN 320 N -6.69 1.13 0.94 1.72 0.01 -0.48 -2.99 114.94 108.59 1og0 s ASN 320 Ca -0.09 -0.17 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 1og0 s ASN 320 Cb 0.14 -0.43 0.07 0.00 0.41 0.00 0.00 41.25 41.44 1og0 s ASN 320 CO 0.82 0.01 0.62 -1.84 -1.51 0.00 0.00 177.10 175.20 1og0 n GLU 321 N 3.66 -0.34 0.00 -0.60 0.28 -1.26 -4.54 120.64 117.83 1og0 n GLU 321 Ca -0.22 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.73 1og0 n GLU 321 Cb 0.53 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 31.39 1og0 n GLU 321 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1og0 n GLY 322 N 1.14 -0.18 0.00 -1.84 0.00 0.25 -4.84 105.19 99.72 1og0 n GLY 322 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 0.71 0.00 -3.70 1.61 0.23 -1.26 0.10 115.26 112.94 1og0 n ASN 323 Ca 0.00 -0.72 -0.03 0.00 -0.53 0.00 0.00 54.58 53.30 1og0 n ASN 323 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 1og0 n ASN 323 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1og0 s GLN 324 N -1.16 1.11 0.42 -3.83 -2.07 -0.53 -4.87 119.66 108.74 1og0 s GLN 324 Ca 0.00 -0.62 0.08 0.00 -1.82 0.00 0.00 55.36 53.00 1og0 s GLN 324 Cb 0.00 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1og0 s GLN 324 CO 0.00 -0.51 0.57 0.20 -1.32 0.00 0.00 175.29 174.23 1og0 s GLY 325 N -2.99 1.95 -0.51 2.60 0.00 -1.26 -4.53 107.32 102.58 1og0 s GLY 325 Ca 0.13 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 42.98 1og0 s GLY 325 CO 0.02 -1.50 0.61 -0.42 0.00 0.00 0.00 173.10 171.81 1og0 s ILE 326 N -2.36 4.91 1.06 0.90 1.01 -1.26 -4.88 121.20 120.58 1og0 s ILE 326 Ca 0.55 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.45 1og0 s ILE 326 Cb -0.10 -4.29 0.24 0.00 0.01 0.00 0.00 42.46 38.32 1og0 s ILE 326 CO 0.33 -0.80 1.24 -2.16 0.00 0.00 0.00 174.94 173.55 1og0 s PRO 327 N 2.53 -0.13 0.31 2.79 0.04 -1.26 -4.94 135.00 134.34 1og0 s PRO 327 Ca 0.14 -0.28 0.02 0.00 0.04 0.00 0.00 61.00 60.92 1og0 s PRO 327 Cb -0.20 -1.74 0.59 0.00 0.04 0.00 0.00 34.50 33.19 1og0 s PRO 327 CO 0.11 -2.95 1.89 0.00 0.04 0.00 0.00 177.00 176.09 1og0 h ALA 328 N -2.03 1.57 0.00 8.56 0.00 -2.00 -2.38 119.26 122.98 1og0 h ALA 328 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1og0 h ALA 328 Cb 1.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1og0 h ALA 328 CO 0.36 0.24 0.00 0.39 0.00 0.00 0.00 179.25 180.25 1og0 n GLU 329 N -4.53 0.93 0.00 0.00 1.02 -1.26 -4.99 120.64 111.81 1og0 n GLU 329 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1og0 n GLU 329 Cb 0.29 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1og0 n GLU 329 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1og0 n GLY 330 N 0.07 1.34 0.41 0.62 0.00 -0.90 -1.77 105.19 104.96 1og0 n GLY 330 Ca 0.00 -0.48 0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.00 1.61 3.11 -1.78 0.34 116.57 119.85 1og0 h LYS 331 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1og0 h LYS 331 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1og0 h LYS 331 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.64 1og0 h ALA 332 N 1.27 1.00 0.12 5.00 0.00 -1.73 -3.26 119.26 121.65 1og0 h ALA 332 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 1og0 h ALA 332 Cb 1.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1og0 h ALA 332 CO -0.00 0.00 -1.52 0.78 0.00 0.00 0.00 179.25 178.50 1og0 h GLY 333 N 3.84 0.28 -4.34 0.00 0.00 -0.81 -3.48 103.07 98.56 1og0 h GLY 333 Ca 0.00 -0.73 -0.62 0.00 0.00 0.00 0.00 47.33 45.98 1og0 h GLY 333 CO 0.00 0.64 -0.31 1.04 0.00 0.00 0.00 176.54 177.91 1og0 n LEU 334 N -3.45 0.09 -4.75 3.11 4.32 -1.23 -4.97 117.00 110.12 1og0 n LEU 334 Ca -0.16 1.03 -0.40 0.00 -0.02 0.00 0.00 56.01 56.45 1og0 n LEU 334 Cb 1.04 -1.12 -0.05 0.00 -1.62 0.00 0.00 43.42 41.67 1og0 n LEU 334 CO 0.50 -2.55 0.57 -0.54 -1.22 0.00 0.00 177.39 174.15 1og0 s LYS 335 N -1.42 4.64 0.75 3.23 1.02 -1.26 -5.03 119.74 121.67 1og0 s LYS 335 Ca 0.62 1.28 -0.15 0.00 0.02 0.00 0.00 55.97 57.74 1og0 s LYS 335 Cb -0.70 -3.33 0.05 0.00 -0.52 0.00 0.00 37.83 33.32 1og0 s LYS 335 CO 0.58 0.36 1.23 0.98 -0.92 0.00 0.00 175.35 177.59 1og0 n TYR 336 N 2.34 1.51 -1.77 3.18 9.36 -1.26 -3.19 117.16 127.32 1og0 n TYR 336 Ca -0.01 0.41 -0.07 0.00 3.32 0.00 0.00 57.90 61.54 1og0 n TYR 336 Cb 0.49 -2.17 -0.02 0.00 -0.63 0.00 0.00 39.34 37.02 1og0 n TYR 336 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1og0 n GLY 337 N 0.69 0.17 3.01 2.98 0.00 -1.26 -4.80 105.19 105.99 1og0 n GLY 337 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.96 1.79 0.26 1.61 1.01 -1.19 -1.38 120.40 120.54 1og0 s VAL 338 Ca 0.00 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 1og0 s VAL 338 Cb 0.00 -1.89 -0.17 0.00 0.00 0.00 0.00 36.38 34.32 1og0 s VAL 338 CO 0.00 0.09 0.38 -0.24 0.00 0.00 0.00 175.10 175.33 1og0 n SER 339 N 4.61 -1.75 -0.82 3.32 2.88 -1.26 -4.62 113.62 115.98 1og0 n SER 339 Ca -0.14 1.03 0.07 0.00 -1.33 0.00 0.00 58.87 58.50 1og0 n SER 339 Cb 0.45 -0.93 0.19 0.00 -0.75 0.00 0.00 64.21 63.17 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 -0.31 0.86 0.00 2.46 -5.35 -1.26 -1.45 119.36 114.31 1og0 n ILE 340 Ca 0.16 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.71 1og0 n ILE 340 Cb 0.30 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 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 0.86 0.00 -2.23 7.28 -2.24 -1.26 -4.80 114.28 111.89 1og0 n THR 341 Ca 0.15 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.53 1og0 n THR 341 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 1og0 n THR 341 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1og0 s ASP 342 N 0.89 6.65 0.15 3.42 -0.00 -1.26 -4.73 116.67 121.80 1og0 s ASP 342 Ca 0.00 2.48 -0.31 0.00 -0.00 0.00 0.00 52.55 54.71 1og0 s ASP 342 Cb 0.00 -2.63 -0.09 0.00 -0.00 0.00 0.00 42.92 40.20 1og0 s ASP 342 CO 0.00 -0.60 1.48 0.00 -0.00 0.00 0.00 175.17 176.05 1og0 s ALA 343 N -1.28 3.69 0.44 5.23 0.00 -1.26 -4.72 121.76 123.86 1og0 s ALA 343 Ca 0.53 1.27 0.07 0.00 0.00 0.00 0.00 51.96 53.83 1og0 s ALA 343 Cb -0.34 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.18 1og0 s ALA 343 CO 0.44 -0.71 0.36 0.00 0.00 0.00 0.00 175.76 175.85 1og0 s ILE 345 N -2.54 5.11 1.24 0.00 -4.36 -0.67 0.87 121.20 120.84 1og0 s ILE 345 Ca 0.45 0.19 -0.18 0.00 -0.26 0.00 0.00 60.65 60.85 1og0 s ILE 345 Cb -0.02 -3.63 0.30 0.00 1.25 0.00 0.00 42.46 40.37 1og0 s ILE 345 CO 0.26 0.07 1.03 -0.83 0.24 0.00 0.00 174.94 175.71 1og0 s GLY 346 N -2.29 1.51 0.04 6.27 0.00 -1.26 -1.78 107.32 109.82 1og0 s GLY 346 Ca 0.41 -0.64 -0.32 0.00 0.00 0.00 0.00 44.72 44.17 1og0 s GLY 346 CO 0.23 0.21 1.35 -0.25 0.00 0.00 0.00 173.10 174.64 1og0 h TRP 347 N -2.77 -1.06 -0.94 1.90 2.91 -1.26 -2.93 115.95 111.79 1og0 h TRP 347 Ca -0.50 -0.03 0.17 0.00 1.13 0.00 0.00 58.89 59.66 1og0 h TRP 347 Cb 1.33 0.35 -0.08 0.00 -0.51 0.00 0.00 29.16 30.25 1og0 h TRP 347 CO -1.56 -0.66 0.60 1.05 -1.03 0.00 0.00 178.44 176.84 1og0 h GLU 348 N -1.26 0.65 -0.71 2.65 9.09 -1.90 0.63 114.58 123.73 1og0 h GLU 348 Ca -0.12 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1og0 h GLU 348 Cb 0.88 -0.15 -0.04 0.00 -1.65 0.00 0.00 28.75 27.80 1og0 h GLU 348 CO 0.19 0.43 0.46 1.15 0.05 0.00 0.00 179.01 181.29 1og0 h THR 349 N 0.67 1.19 -0.52 -1.06 2.02 -1.93 -1.71 112.91 111.58 1og0 h THR 349 Ca 0.50 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 1og0 h THR 349 Cb 0.86 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1og0 h THR 349 CO -0.25 0.19 -0.07 0.74 0.37 0.00 0.00 175.52 176.49 1og0 h THR 350 N 0.97 1.26 -0.21 3.16 2.02 0.39 -1.23 112.91 119.27 1og0 h THR 350 Ca 0.26 -1.19 0.01 0.00 0.77 0.00 0.00 66.41 66.26 1og0 h THR 350 Cb -0.09 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1og0 h THR 350 CO -0.05 0.42 0.10 -0.33 0.37 0.00 0.00 175.52 176.03 1og0 h GLU 351 N 0.85 0.21 0.14 6.66 5.08 -0.32 -0.28 114.58 126.91 1og0 h GLU 351 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1og0 h GLU 351 Cb 0.60 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1og0 h GLU 351 CO 0.04 0.14 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.60 1og0 h ASP 352 N 0.22 -0.43 -0.87 1.42 5.19 -1.15 -0.01 116.42 120.79 1og0 h ASP 352 Ca 0.09 0.04 0.20 0.00 -0.62 0.00 0.00 57.03 56.74 1og0 h ASP 352 Cb 0.03 0.14 -0.16 0.00 0.18 0.00 0.00 39.33 39.52 1og0 h ASP 352 CO -0.06 -0.20 -0.08 0.58 -3.12 0.00 0.00 179.24 176.36 1og0 h VAL 353 N -0.29 0.16 -0.15 -1.35 2.07 -1.13 0.30 116.25 115.87 1og0 h VAL 353 Ca -0.02 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1og0 h VAL 353 Cb 0.26 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1og0 h VAL 353 CO -0.03 0.01 -0.44 -0.07 0.02 0.00 0.00 177.57 177.06 1og0 h LEU 354 N 0.04 0.37 -0.43 2.57 3.38 -0.92 -1.65 115.31 118.67 1og0 h LEU 354 Ca 0.47 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 58.12 1og0 h LEU 354 Cb 0.84 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1og0 h LEU 354 CO -0.84 0.77 -0.39 0.03 0.09 0.00 0.00 178.44 178.10 1og0 h ARG 355 N 0.29 0.89 -0.49 1.13 3.08 0.15 -0.86 114.38 118.56 1og0 h ARG 355 Ca 0.02 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.53 1og0 h ARG 355 Cb 0.89 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1og0 h ARG 355 CO 0.07 1.11 -0.02 0.87 -1.07 0.00 0.00 179.97 180.94 1og0 h LYS 356 N 0.73 0.83 -0.23 0.04 1.57 -0.65 -1.22 116.57 117.63 1og0 h LYS 356 Ca 0.06 -0.24 -0.05 0.00 -1.87 0.00 0.00 60.65 58.55 1og0 h LYS 356 Cb 0.97 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1og0 h LYS 356 CO 0.09 0.84 -0.05 1.25 -0.57 0.00 0.00 179.45 181.02 1og0 h LEU 357 N 0.77 0.45 -1.73 2.94 5.85 -1.12 -1.02 115.31 121.44 1og0 h LEU 357 Ca 0.14 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1og0 h LEU 357 Cb 0.49 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1og0 h LEU 357 CO 0.02 0.70 0.20 0.00 -0.34 0.00 0.00 178.44 179.02 1og0 h ALA 358 N 0.76 1.83 -0.41 1.25 0.00 -0.95 0.19 119.26 121.93 1og0 h ALA 358 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1og0 h ALA 358 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1og0 h ALA 358 CO 0.02 0.14 -0.08 0.00 0.00 0.00 0.00 179.25 179.34 1og0 h ALA 359 N 1.82 0.57 -0.28 0.00 0.00 -0.74 -1.70 119.26 118.92 1og0 h ALA 359 Ca 0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1og0 h ALA 359 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1og0 h ALA 359 CO -0.03 0.42 -0.36 0.00 0.00 0.00 0.00 179.25 179.29 1og0 h ALA 360 N 0.86 0.85 0.03 0.00 0.00 0.11 -1.16 119.26 119.95 1og0 h ALA 360 Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1og0 h ALA 360 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1og0 h ALA 360 CO 0.04 0.64 -0.11 0.28 0.00 0.00 0.00 179.25 180.10 1og0 h VAL 361 N 0.52 0.74 -0.39 0.00 2.07 -0.50 0.15 116.25 118.83 1og0 h VAL 361 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 1og0 h VAL 361 Cb 0.86 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1og0 h VAL 361 CO 0.07 0.00 0.16 0.03 0.02 0.00 0.00 177.57 177.85 1og0 h ARG 362 N -0.20 0.32 -0.94 1.57 3.08 -1.14 -1.64 114.38 115.42 1og0 h ARG 362 Ca 0.03 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1og0 h ARG 362 Cb 0.23 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1og0 h ARG 362 CO -0.09 0.21 0.62 0.37 -1.07 0.00 0.00 179.97 180.01 1og0 h GLN 363 N 0.33 1.14 -0.24 0.04 5.75 -0.71 -0.04 115.11 121.38 1og0 h GLN 363 Ca 0.18 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1og0 h GLN 363 Cb 0.14 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1og0 h GLN 363 CO -0.16 0.76 0.01 -0.09 -2.65 0.00 0.00 178.83 176.69 1og0 h ARG 364 N 1.18 0.35 0.13 1.69 2.43 0.18 -1.03 114.38 119.32 1og0 h ARG 364 Ca 0.38 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1og0 h ARG 364 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1og0 h ARG 364 CO -0.12 0.37 -0.13 0.00 -1.51 0.00 0.00 179.97 178.58 1og0 h ARG 365 N 0.35 -0.28 -0.12 0.20 3.08 -0.30 0.15 114.38 117.45 1og0 h ARG 365 Ca 0.08 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1og0 h ARG 365 Cb 0.22 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1og0 h ARG 365 CO 0.00 -0.19 -0.08 0.93 -1.07 0.00 0.00 179.97 179.57 1og0 h GLU 366 N -0.29 -0.07 -0.70 0.04 4.39 -0.97 -2.02 114.58 114.96 1og0 h GLU 366 Ca 0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1og0 h GLU 366 Cb 0.28 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1og0 h GLU 366 CO -0.04 -0.05 0.46 0.28 -1.16 0.00 0.00 179.01 178.51 1og0 h VAL 367 N -0.07 0.98 0.00 3.13 2.07 -0.89 -1.01 116.25 120.46 1og0 h VAL 367 Ca 0.07 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1og0 h VAL 367 Cb 0.18 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1og0 h VAL 367 CO -0.17 0.12 0.00 0.59 0.02 0.00 0.00 177.57 178.13 1og0 n ASN 368 N -4.48 0.00 -4.58 0.57 3.02 0.50 -4.70 115.26 105.59 1og0 n ASN 368 Ca 0.11 0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 54.69 1og0 n ASN 368 Cb 0.27 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.96 3.20 0.00 3.52 1.02 -0.38 -5.09 119.74 119.05 1og0 s LYS 369 Ca 0.14 0.87 0.00 0.00 0.02 0.00 0.00 55.97 57.00 1og0 s LYS 369 Cb 0.18 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1og0 s LYS 369 CO 0.49 -2.03 0.00 0.36 -0.92 0.00 0.00 175.35 173.24