#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pag s ASN 2 N 0.00 6.50 -0.05 4.52 0.01 -1.26 -4.94 114.94 119.72 1pag s ASN 2 Ca 0.00 0.65 0.05 0.00 -0.71 0.00 0.00 52.86 52.85 1pag s ASN 2 Cb 0.00 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.52 1pag s ASN 2 CO 0.00 -0.03 -0.20 0.28 -1.51 0.00 0.00 177.10 175.65 1pag s THR 3 N -1.79 2.59 -0.21 1.60 -1.32 -1.26 -1.52 115.64 113.73 1pag s THR 3 Ca 0.42 -0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 59.95 1pag s THR 3 Cb -0.12 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.87 1pag s THR 3 CO 0.25 0.58 0.02 -0.63 -2.21 0.00 0.00 174.62 172.63 1pag s ILE 4 N -0.51 4.14 -0.10 5.08 -1.09 -0.47 -4.97 121.20 123.28 1pag s ILE 4 Ca 0.07 -0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.06 1pag s ILE 4 Cb -0.11 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1pag s ILE 4 CO 0.01 0.42 0.48 -0.63 -1.23 0.00 0.00 174.94 173.98 1pag s ILE 5 N 1.02 5.15 -0.03 2.92 1.09 -1.26 -1.17 121.20 128.91 1pag s ILE 5 Ca 0.02 0.96 -0.01 0.00 -1.10 0.00 0.00 60.65 60.52 1pag s ILE 5 Cb -0.14 -3.81 0.03 0.00 -1.06 0.00 0.00 42.46 37.47 1pag s ILE 5 CO 0.02 0.36 0.05 -0.47 -0.10 0.00 0.00 174.94 174.80 1pag s TYR 6 N 0.37 0.07 -0.44 3.97 5.04 -0.25 -4.96 117.35 121.15 1pag s TYR 6 Ca 0.26 0.19 -0.19 0.00 -2.44 0.00 0.00 57.07 54.89 1pag s TYR 6 Cb -0.15 -0.39 0.02 0.00 0.35 0.00 0.00 41.96 41.79 1pag s TYR 6 CO 0.11 -0.15 0.55 1.21 -1.34 0.00 0.00 175.55 175.93 1pag s ASN 7 N 1.70 6.26 0.11 4.32 2.47 -1.26 -0.83 114.94 127.72 1pag s ASN 7 Ca -0.01 -0.52 -0.12 0.00 0.42 0.00 0.00 52.86 52.63 1pag s ASN 7 Cb -0.12 -2.28 -0.12 0.00 -1.45 0.00 0.00 41.25 37.28 1pag s ASN 7 CO -0.03 -0.70 1.35 0.58 -3.72 0.00 0.00 177.10 174.58 1pag h VAL 8 N 5.81 1.28 0.00 -5.21 2.07 -0.76 -3.31 116.25 116.12 1pag h VAL 8 Ca -0.26 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 1pag h VAL 8 Cb 1.10 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1pag h VAL 8 CO 0.85 0.60 -0.05 1.23 0.02 0.00 0.00 177.57 180.22 1pag h GLY 9 N 0.63 0.00 -6.70 2.17 0.00 -1.78 -3.39 103.07 93.99 1pag h GLY 9 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.03 1pag h GLY 9 CO 0.14 0.00 -0.59 -0.45 0.00 0.00 0.00 176.54 175.64 1pag s SER 10 N -5.75 1.03 0.21 0.19 0.15 -1.25 -4.83 113.70 103.45 1pag s SER 10 Ca -0.03 -0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 1pag s SER 10 Cb 0.12 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 1pag s SER 10 CO 0.52 -0.30 0.49 0.42 1.20 0.00 0.00 173.24 175.57 1pag s THR 11 N 2.37 0.03 0.25 6.45 -4.23 -1.26 -4.78 115.64 114.46 1pag s THR 11 Ca 0.06 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1pag s THR 11 Cb -0.15 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 1pag s THR 11 CO -0.12 -0.12 0.15 0.42 -0.54 0.00 0.00 174.62 174.42 1pag s THR 12 N -3.92 0.18 0.21 3.99 -4.23 -1.26 -5.06 115.64 105.55 1pag s THR 12 Ca 0.13 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.84 1pag s THR 12 Cb -0.01 -2.53 0.17 0.00 1.34 0.00 0.00 72.50 71.47 1pag s THR 12 CO 0.01 0.00 1.80 0.16 -0.54 0.00 0.00 174.62 176.05 1pag h ILE 13 N 2.42 0.82 -0.45 2.99 3.07 -1.99 -2.51 117.51 121.86 1pag h ILE 13 Ca -0.34 -1.30 -0.12 0.00 1.55 0.00 0.00 64.86 64.65 1pag h ILE 13 Cb 1.25 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 1pag h ILE 13 CO 0.52 0.31 -0.19 0.28 -1.05 0.00 0.00 178.15 178.02 1pag h SER 14 N 0.00 0.90 -0.50 2.16 0.02 -1.99 -1.84 113.55 112.29 1pag h SER 14 Ca -0.00 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1pag h SER 14 Cb 0.78 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1pag h SER 14 CO 0.04 1.07 0.11 0.11 -1.14 0.00 0.00 176.83 177.02 1pag h LYS 15 N 0.78 0.82 0.20 3.45 1.79 -1.87 -0.85 116.57 120.89 1pag h LYS 15 Ca 0.11 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1pag h LYS 15 Cb 0.74 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1pag h LYS 15 CO 0.06 0.80 -0.10 -0.92 -1.08 0.00 0.00 179.45 178.21 1pag h TYR 16 N 0.70 -0.25 -0.71 -1.35 3.20 -1.36 -0.44 116.97 116.76 1pag h TYR 16 Ca 0.16 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1pag h TYR 16 Cb 0.36 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 1pag h TYR 16 CO 0.02 -0.09 0.47 0.00 -1.64 0.00 0.00 178.16 176.93 1pag h ALA 17 N 0.43 0.90 -0.76 1.82 0.00 -1.20 -1.38 119.26 119.07 1pag h ALA 17 Ca -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1pag h ALA 17 Cb 0.28 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1pag h ALA 17 CO 0.05 0.33 0.49 1.15 0.00 0.00 0.00 179.25 181.26 1pag h THR 18 N 0.97 1.16 0.08 0.00 2.02 -0.86 -0.54 112.91 115.74 1pag h THR 18 Ca 0.26 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1pag h THR 18 Cb -0.11 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.38 1pag h THR 18 CO -0.06 0.18 -0.07 0.15 0.37 0.00 0.00 175.52 176.09 1pag h PHE 19 N 0.99 -0.19 -0.12 3.16 3.57 -0.49 0.21 116.94 124.06 1pag h PHE 19 Ca 0.29 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 1pag h PHE 19 Cb -0.06 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1pag h PHE 19 CO -0.03 -0.12 -0.29 -0.07 -2.23 0.00 0.00 178.31 175.58 1pag h LEU 20 N -0.17 0.23 -0.94 0.59 3.38 -1.11 0.54 115.31 117.83 1pag h LEU 20 Ca 0.00 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1pag h LEU 20 Cb 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pag h LEU 20 CO -0.02 0.52 -0.50 -1.13 0.09 0.00 0.00 178.44 177.40 1pag h ASN 21 N 0.20 0.06 -0.16 -0.43 -1.24 -0.83 -1.41 115.58 111.78 1pag h ASN 21 Ca 0.03 -0.03 -0.17 0.00 0.71 0.00 0.00 56.30 56.84 1pag h ASN 21 Cb 0.62 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.66 1pag h ASN 21 CO 0.05 0.56 -0.56 0.44 -1.29 0.00 0.00 177.43 176.63 1pag h ASP 22 N 0.05 0.77 -0.41 1.15 3.32 -0.23 -2.42 116.42 118.65 1pag h ASP 22 Ca -0.00 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 56.36 1pag h ASP 22 Cb 0.91 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1pag h ASP 22 CO 0.07 1.24 -0.07 0.25 -1.72 0.00 0.00 179.24 179.01 1pag h LEU 23 N 0.34 0.78 0.25 1.55 5.85 -0.71 -2.36 115.31 121.01 1pag h LEU 23 Ca -0.02 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1pag h LEU 23 Cb 1.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1pag h LEU 23 CO 0.12 0.94 -0.19 0.03 -0.34 0.00 0.00 178.44 179.00 1pag h ARG 24 N 0.59 -0.44 -0.64 1.25 3.08 -1.30 0.50 114.38 117.43 1pag h ARG 24 Ca 0.11 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.29 1pag h ARG 24 Cb 0.59 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 1pag h ARG 24 CO 0.04 -0.29 0.43 -0.91 -1.07 0.00 0.00 179.97 178.16 1pag h ASN 25 N -0.45 0.41 0.54 7.04 2.35 -1.43 -0.18 115.58 123.86 1pag h ASN 25 Ca -0.02 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1pag h ASN 25 Cb 0.40 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1pag h ASN 25 CO -0.01 0.25 -0.90 -0.08 -1.65 0.00 0.00 177.43 175.04 1pag h GLU 26 N 0.46 0.24 0.12 0.81 4.57 -0.81 -3.36 114.58 116.62 1pag h GLU 26 Ca 0.30 -0.26 -0.35 0.00 -1.18 0.00 0.00 59.36 57.87 1pag h GLU 26 Cb 0.55 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1pag h GLU 26 CO -0.09 0.99 -1.86 0.00 -1.18 0.00 0.00 179.01 176.87 1pag h ALA 27 N 0.92 0.36 -2.80 2.92 0.00 0.06 -3.48 119.26 117.24 1pag h ALA 27 Ca -0.05 -1.32 -0.56 0.00 0.00 0.00 0.00 54.91 52.97 1pag h ALA 27 Cb 1.53 0.66 0.17 0.00 0.00 0.00 0.00 17.79 20.16 1pag h ALA 27 CO 0.14 1.19 0.15 0.36 0.00 0.00 0.00 179.25 181.09 1pag n LYS 28 N -3.61 0.72 -2.27 0.00 2.85 -0.17 -4.31 118.16 111.37 1pag n LYS 28 Ca -0.31 0.30 -0.36 0.00 -1.05 0.00 0.00 58.31 56.89 1pag n LYS 28 Cb 1.01 -2.23 -0.01 0.00 -0.65 0.00 0.00 35.03 33.16 1pag n LYS 28 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1pag s ASP 29 N -1.45 6.06 0.48 -5.58 -1.08 -0.57 -4.82 116.67 109.72 1pag s ASP 29 Ca 0.76 2.26 0.32 0.00 -0.52 0.00 0.00 52.55 55.36 1pag s ASP 29 Cb -0.38 -2.60 1.39 0.00 -1.46 0.00 0.00 42.92 39.88 1pag s ASP 29 CO 0.48 -0.99 1.95 -0.65 0.52 0.00 0.00 175.17 176.48 1pag h PRO 30 N 1.81 0.00 0.00 4.34 0.11 -1.92 -3.36 132.00 132.97 1pag h PRO 30 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pag h PRO 30 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1pag h PRO 30 CO 0.59 0.00 -0.72 -1.13 -0.21 0.00 0.00 178.00 176.53 1pag n SER 31 N -2.85 3.31 -4.65 -2.05 3.41 -1.26 -5.01 113.62 104.52 1pag n SER 31 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1pag n SER 31 Cb 0.25 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1pag n SER 31 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1pag s LEU 32 N -3.72 4.20 -0.09 1.04 1.02 -1.26 -4.99 118.68 114.89 1pag s LEU 32 Ca 0.00 2.49 -0.10 0.00 0.02 0.00 0.00 54.13 56.53 1pag s LEU 32 Cb 0.00 -3.53 0.03 0.00 0.02 0.00 0.00 46.19 42.71 1pag s LEU 32 CO 0.00 -1.27 0.28 -1.59 0.02 0.00 0.00 176.35 173.79 1pag s LYS 33 N 4.90 0.39 -0.14 1.70 -2.85 -1.26 -1.61 119.74 120.87 1pag s LYS 33 Ca 0.91 0.27 0.02 0.00 -1.00 0.00 0.00 55.97 56.17 1pag s LYS 33 Cb -0.40 0.18 0.01 0.00 -2.06 0.00 0.00 37.83 35.56 1pag s LYS 33 CO 0.40 -0.06 -0.20 0.00 0.10 0.00 0.00 175.35 175.58 1pag n TYR 35 N 4.20 -1.79 -0.26 0.00 4.01 0.82 -0.79 117.16 123.35 1pag n TYR 35 Ca -0.20 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 1pag n TYR 35 Cb 0.51 -3.67 0.00 0.00 -0.31 0.00 0.00 39.34 35.88 1pag n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pag n GLY 36 N -1.77 2.37 3.70 2.72 0.00 -0.73 -4.92 105.19 106.56 1pag n GLY 36 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1pag n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pag s ILE 37 N -3.17 5.31 0.45 -0.61 1.01 0.03 -5.05 121.20 119.17 1pag s ILE 37 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.86 1pag s ILE 37 Cb 0.00 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1pag s ILE 37 CO 0.00 0.36 1.30 -2.84 0.00 0.00 0.00 174.94 173.76 1pag s PRO 38 N 0.72 3.75 -0.05 2.79 0.02 -1.26 -1.49 135.00 139.47 1pag s PRO 38 Ca 0.14 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1pag s PRO 38 Cb -0.13 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.77 1pag s PRO 38 CO 0.04 -0.67 -0.04 1.41 -0.33 0.00 0.00 177.00 177.42 1pag s MET 39 N -2.47 2.80 0.56 5.54 1.75 -0.63 -1.26 119.30 125.58 1pag s MET 39 Ca 0.61 -0.54 -0.17 0.00 -1.25 0.00 0.00 55.69 54.35 1pag s MET 39 Cb -0.37 -2.65 -0.05 0.00 2.84 0.00 0.00 34.83 34.59 1pag s MET 39 CO 0.47 0.66 1.04 -0.51 -0.65 0.00 0.00 175.02 176.03 1pag s LEU 40 N -1.04 3.59 0.83 4.11 1.43 0.44 -1.51 118.68 126.54 1pag s LEU 40 Ca 0.14 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1pag s LEU 40 Cb -0.11 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.67 1pag s LEU 40 CO 0.04 -0.97 1.10 -2.16 0.23 0.00 0.00 176.35 174.58 1pag s PRO 41 N -3.90 1.78 0.46 1.29 0.04 -1.26 -4.01 135.00 129.40 1pag s PRO 41 Ca 0.63 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.13 1pag s PRO 41 Cb -0.15 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1pag s PRO 41 CO 0.32 -1.84 1.29 1.21 0.04 0.00 0.00 177.00 178.01 1pag s ASN 42 N -3.74 5.98 0.64 6.66 3.84 -1.26 -4.39 114.94 122.67 1pag s ASN 42 Ca 0.62 2.60 0.31 0.00 0.21 0.00 0.00 52.86 56.60 1pag s ASN 42 Cb -0.16 -2.63 1.68 0.00 -0.55 0.00 0.00 41.25 39.60 1pag s ASN 42 CO 0.55 -1.07 1.98 0.71 -2.79 0.00 0.00 177.10 176.48 1pag h THR 43 N 2.03 0.13 0.00 -5.21 1.35 -1.96 -1.63 112.91 107.62 1pag h THR 43 Ca -0.50 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.26 1pag h THR 43 Cb 1.26 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1pag h THR 43 CO 0.60 0.00 -0.46 0.78 -0.25 0.00 0.00 175.52 176.19 1pag h ASN 44 N 0.00 0.00 -3.06 5.36 -0.26 -1.99 -3.46 115.58 112.17 1pag h ASN 44 Ca 0.05 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.26 1pag h ASN 44 Cb 0.67 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.99 1pag h ASN 44 CO -0.00 0.46 0.87 -0.89 -1.06 0.00 0.00 177.43 176.81 1pag s THR 45 N -3.39 2.40 -0.13 2.81 2.01 -0.61 -4.97 115.64 113.76 1pag s THR 45 Ca 0.01 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1pag s THR 45 Cb 0.10 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1pag s THR 45 CO 0.71 0.04 0.16 0.20 -0.69 0.00 0.00 174.62 175.04 1pag s ASN 46 N 0.80 6.39 0.39 3.53 0.01 -1.26 -2.96 114.94 121.83 1pag s ASN 46 Ca 0.66 0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 53.03 1pag s ASN 46 Cb -0.45 -2.09 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 1pag s ASN 46 CO 0.38 0.35 1.03 -2.16 -1.51 0.00 0.00 177.10 175.20 1pag s PRO 47 N -0.74 4.22 0.33 -0.60 0.04 -1.26 -5.09 135.00 131.90 1pag s PRO 47 Ca 0.14 1.46 0.25 0.00 0.04 0.00 0.00 61.00 62.90 1pag s PRO 47 Cb -0.12 -2.55 0.71 0.00 0.04 0.00 0.00 34.50 32.58 1pag s PRO 47 CO 0.03 -0.08 1.73 0.87 0.04 0.00 0.00 177.00 179.60 1pag h LYS 48 N 2.55 0.00 -5.41 4.56 1.57 -1.88 -3.47 116.57 114.49 1pag h LYS 48 Ca -0.48 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.88 1pag h LYS 48 Cb 1.21 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.33 1pag h LYS 48 CO 0.63 0.00 -0.76 0.71 -0.57 0.00 0.00 179.45 179.45 1pag s TYR 49 N -3.21 1.37 0.03 -1.35 2.02 -1.26 -1.16 117.35 113.78 1pag s TYR 49 Ca 0.08 -0.55 0.08 0.00 -0.37 0.00 0.00 57.07 56.31 1pag s TYR 49 Cb 0.09 -0.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.90 1pag s TYR 49 CO 0.60 0.13 -0.22 0.14 -1.57 0.00 0.00 175.55 174.62 1pag s VAL 50 N -2.03 1.79 -0.03 0.71 -7.23 -0.16 -4.36 120.40 109.09 1pag s VAL 50 Ca 0.07 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1pag s VAL 50 Cb -0.05 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1pag s VAL 50 CO 0.03 0.33 -0.14 -0.76 -0.31 0.00 0.00 175.10 174.25 1pag s LEU 51 N -0.99 2.77 -0.22 1.32 1.02 -0.58 -0.86 118.68 121.14 1pag s LEU 51 Ca 0.09 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.02 1pag s LEU 51 Cb -0.09 -1.58 0.05 0.00 0.02 0.00 0.00 46.19 44.60 1pag s LEU 51 CO 0.01 0.33 -0.07 -0.69 0.02 0.00 0.00 176.35 175.94 1pag s VAL 52 N -0.79 1.59 -0.48 -1.59 1.01 -0.30 -1.36 120.40 118.48 1pag s VAL 52 Ca 0.13 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 1pag s VAL 52 Cb -0.11 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1pag s VAL 52 CO 0.02 -0.01 0.68 -0.70 0.00 0.00 0.00 175.10 175.09 1pag s GLU 53 N 1.38 3.22 -0.30 2.72 2.12 -0.32 -0.36 118.70 127.17 1pag s GLU 53 Ca -0.05 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.50 1pag s GLU 53 Cb -0.18 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 1pag s GLU 53 CO -0.07 -1.17 0.70 -0.51 -0.54 0.00 0.00 175.26 173.67 1pag s LEU 54 N 2.91 4.12 -0.31 2.70 1.43 0.05 -1.09 118.68 128.50 1pag s LEU 54 Ca 0.21 0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.77 1pag s LEU 54 Cb -0.16 -2.93 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1pag s LEU 54 CO 0.16 -0.53 0.13 -1.10 0.23 0.00 0.00 176.35 175.24 1pag s GLN 55 N 2.75 3.25 0.58 1.70 -0.21 -0.01 -2.07 119.66 125.64 1pag s GLN 55 Ca 0.28 -0.77 0.09 0.00 0.02 0.00 0.00 55.36 54.98 1pag s GLN 55 Cb -0.15 -3.50 0.09 0.00 1.00 0.00 0.00 33.01 30.45 1pag s GLN 55 CO 0.12 -0.43 0.72 0.41 -2.12 0.00 0.00 175.29 173.99 1pag n GLY 56 N 4.94 2.13 3.74 3.09 0.00 -0.14 0.04 105.19 118.98 1pag n GLY 56 Ca -0.14 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.28 1pag n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pag s SER 57 N -4.54 4.73 -0.61 1.61 0.01 -1.26 -3.60 113.70 110.03 1pag s SER 57 Ca 0.55 2.49 0.00 0.00 1.31 0.00 0.00 55.95 60.30 1pag s SER 57 Cb -0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1pag s SER 57 CO 0.35 -1.91 0.00 0.59 0.41 0.00 0.00 173.24 172.68 1pag n ASN 58 N -1.95 -3.85 -2.56 2.44 5.03 -1.26 -3.16 115.26 109.94 1pag n ASN 58 Ca 0.15 0.14 -0.19 0.00 0.87 0.00 0.00 54.58 55.55 1pag n ASN 58 Cb 0.49 -1.86 0.03 0.00 -1.02 0.00 0.00 39.78 37.42 1pag n ASN 58 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1pag n LYS 59 N -2.62 -3.91 -4.03 3.52 0.00 -1.24 -4.99 118.16 104.89 1pag n LYS 59 Ca -0.06 0.80 -0.35 0.00 0.00 0.00 0.00 58.31 58.71 1pag n LYS 59 Cb 0.22 -5.40 -0.09 0.00 0.00 0.00 0.00 35.03 29.76 1pag n LYS 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1pag s LYS 60 N -5.46 3.71 0.05 1.64 -0.14 -1.19 -5.04 119.74 113.32 1pag s LYS 60 Ca 0.23 -0.31 -0.05 0.00 -1.36 0.00 0.00 55.97 54.48 1pag s LYS 60 Cb -0.10 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.89 1pag s LYS 60 CO 0.28 0.45 0.09 0.99 -0.76 0.00 0.00 175.35 176.40 1pag s THR 61 N -0.12 0.15 -0.07 2.17 2.01 -1.26 -0.97 115.64 117.56 1pag s THR 61 Ca 0.07 -1.26 -0.05 0.00 0.31 0.00 0.00 61.69 60.77 1pag s THR 61 Cb -0.12 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.30 1pag s THR 61 CO 0.01 -0.69 0.16 -0.63 -0.69 0.00 0.00 174.62 172.78 1pag s ILE 62 N -3.15 -0.02 -0.19 1.82 1.01 -0.88 -4.45 121.20 115.34 1pag s ILE 62 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 1pag s ILE 62 Cb 0.02 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1pag s ILE 62 CO -0.07 0.03 0.02 -0.89 0.00 0.00 0.00 174.94 174.02 1pag s THR 63 N 0.54 4.18 -0.10 2.92 2.01 -0.31 -0.77 115.64 124.10 1pag s THR 63 Ca -0.04 -0.24 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1pag s THR 63 Cb -0.05 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1pag s THR 63 CO -0.03 0.44 0.56 -0.76 -0.69 0.00 0.00 174.62 174.14 1pag s LEU 64 N 0.80 4.29 -0.24 4.42 1.02 0.52 -0.70 118.68 128.79 1pag s LEU 64 Ca 0.01 0.95 -0.11 0.00 0.02 0.00 0.00 54.13 54.99 1pag s LEU 64 Cb -0.14 -2.83 -0.05 0.00 0.02 0.00 0.00 46.19 43.19 1pag s LEU 64 CO 0.02 -0.05 0.19 -0.32 0.02 0.00 0.00 176.35 176.22 1pag s MET 65 N 0.72 4.07 -0.06 1.70 1.75 -0.35 -1.14 119.30 125.98 1pag s MET 65 Ca 0.30 -0.22 0.05 0.00 -1.25 0.00 0.00 55.69 54.57 1pag s MET 65 Cb -0.16 -3.55 -0.00 0.00 2.84 0.00 0.00 34.83 33.95 1pag s MET 65 CO 0.13 0.02 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.82 1pag s LEU 66 N 1.17 1.95 -0.08 4.11 1.02 -0.04 -0.63 118.68 126.18 1pag s LEU 66 Ca 0.09 -0.41 -0.23 0.00 0.02 0.00 0.00 54.13 53.59 1pag s LEU 66 Cb -0.14 -1.11 -0.03 0.00 0.02 0.00 0.00 46.19 44.93 1pag s LEU 66 CO 0.06 0.17 0.70 -0.60 0.02 0.00 0.00 176.35 176.69 1pag s ARG 67 N 0.09 4.41 0.47 1.70 3.52 -0.52 -0.98 118.95 127.63 1pag s ARG 67 Ca -0.07 0.86 0.18 0.00 -0.13 0.00 0.00 55.73 56.58 1pag s ARG 67 Cb -0.13 -3.47 1.13 0.00 -1.56 0.00 0.00 34.95 30.93 1pag s ARG 67 CO 0.04 0.02 2.01 0.00 -0.81 0.00 0.00 175.30 176.55 1pag h ARG 68 N 6.85 0.00 -0.84 5.12 3.08 -1.48 0.29 114.38 127.40 1pag h ARG 68 Ca -0.39 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.71 1pag h ARG 68 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 1pag h ARG 68 CO 0.76 0.17 0.52 -0.97 -1.07 0.00 0.00 179.97 179.39 1pag h ASN 69 N 0.00 0.83 0.00 7.04 -0.73 -1.79 -3.32 115.58 117.61 1pag h ASN 69 Ca -0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1pag h ASN 69 Cb 0.34 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.77 1pag h ASN 69 CO 0.02 0.54 -0.21 -0.46 -0.37 0.00 0.00 177.43 176.95 1pag n ASN 70 N -4.62 0.00 -2.03 1.15 6.94 -1.17 -4.00 115.26 111.54 1pag n ASN 70 Ca 0.11 -1.42 -0.10 0.00 -0.02 0.00 0.00 54.58 53.15 1pag n ASN 70 Cb 0.15 -0.08 -0.02 0.00 -2.36 0.00 0.00 39.78 37.47 1pag n ASN 70 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pag n LEU 71 N 0.00 -0.87 -4.75 -4.53 4.77 1.00 -4.97 117.00 107.66 1pag n LEU 71 Ca 0.00 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 1pag n LEU 71 Cb 0.58 -1.84 -0.05 0.00 -2.33 0.00 0.00 43.42 39.79 1pag n LEU 71 CO 0.00 -0.26 0.73 -0.31 -1.33 0.00 0.00 177.39 176.22 1pag s TYR 72 N -2.27 3.74 -0.42 -1.77 1.51 -1.21 -4.66 117.35 112.27 1pag s TYR 72 Ca 0.00 1.76 -0.29 0.00 -1.01 0.00 0.00 57.07 57.53 1pag s TYR 72 Cb 0.00 -3.16 0.02 0.00 -0.11 0.00 0.00 41.96 38.71 1pag s TYR 72 CO 0.00 -0.16 1.30 0.08 -1.11 0.00 0.00 175.55 175.67 1pag s VAL 73 N -0.83 4.04 -0.50 0.71 1.01 -1.26 -1.44 120.40 122.13 1pag s VAL 73 Ca 0.45 1.07 0.24 0.00 0.00 0.00 0.00 61.98 63.74 1pag s VAL 73 Cb -0.29 -4.34 0.09 0.00 0.00 0.00 0.00 36.38 31.84 1pag s VAL 73 CO 0.35 -0.81 1.31 0.24 0.00 0.00 0.00 175.10 176.19 1pag h MET 74 N 10.03 0.00 0.00 2.72 2.86 -1.25 -3.48 114.93 125.81 1pag h MET 74 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1pag h MET 74 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1pag h MET 74 CO 1.09 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.47 1pag n GLY 75 N 1.26 -1.17 3.30 8.32 0.00 -1.26 -1.50 105.19 114.14 1pag n GLY 75 Ca 0.03 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 1pag n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pag s TYR 76 N -2.54 0.84 0.07 1.61 1.13 -0.46 -1.21 117.35 116.78 1pag s TYR 76 Ca 0.00 -1.14 0.05 0.00 -1.41 0.00 0.00 57.07 54.57 1pag s TYR 76 Cb 0.00 -0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 40.51 1pag s TYR 76 CO 0.00 -0.71 -0.14 -1.54 -2.51 0.00 0.00 175.55 170.65 1pag s SER 77 N -3.09 1.66 0.02 -0.18 1.04 0.13 -0.22 113.70 113.07 1pag s SER 77 Ca 0.30 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1pag s SER 77 Cb 0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1pag s SER 77 CO 0.08 -0.07 -0.09 1.51 0.98 0.00 0.00 173.24 175.66 1pag s ASP 78 N -1.67 1.02 -0.01 7.02 -4.77 -0.57 -1.17 116.67 116.52 1pag s ASP 78 Ca -0.02 -0.33 -0.34 0.00 -3.30 0.00 0.00 52.55 48.56 1pag s ASP 78 Cb -0.10 -0.05 -0.13 0.00 -1.09 0.00 0.00 42.92 41.55 1pag s ASP 78 CO 0.02 -0.02 1.76 -2.65 0.70 0.00 0.00 175.17 174.99 1pag n PRO 79 N 2.23 2.09 -4.40 2.11 -0.02 -1.26 -1.55 135.00 134.20 1pag n PRO 79 Ca -0.17 0.76 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 1pag n PRO 79 Cb 0.56 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 1pag n PRO 79 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1pag s PHE 80 N 2.94 1.19 0.00 6.00 5.36 -0.26 -3.53 117.98 129.67 1pag s PHE 80 Ca 0.88 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 1pag s PHE 80 Cb -0.71 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.25 1pag s PHE 80 CO 0.48 0.02 0.00 0.39 -1.46 0.00 0.00 175.22 174.65 1pag n GLU 81 N 2.12 0.00 -0.03 10.12 1.02 -1.26 -1.33 120.64 131.29 1pag n GLU 81 Ca -0.17 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1pag n GLU 81 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1pag n GLU 81 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pag h THR 82 N 0.00 0.00 -0.51 2.62 2.02 -2.03 -3.41 112.91 111.61 1pag h THR 82 Ca 0.00 -0.52 -0.36 0.00 0.77 0.00 0.00 66.41 66.30 1pag h THR 82 Cb 0.00 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 66.14 1pag h THR 82 CO 0.00 0.00 -0.59 -0.46 0.37 0.00 0.00 175.52 174.84 1pag n ASN 83 N -3.45 3.91 -4.61 4.18 6.94 -1.26 -5.02 115.26 115.95 1pag n ASN 83 Ca -0.01 -3.80 -0.25 0.00 -0.02 0.00 0.00 54.58 50.50 1pag n ASN 83 Cb 0.03 -0.45 -0.08 0.00 -2.36 0.00 0.00 39.78 36.91 1pag n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pag s LYS 84 N -3.48 2.20 -0.23 -3.83 1.02 -0.44 -4.82 119.74 110.16 1pag s LYS 84 Ca 0.47 -1.34 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 1pag s LYS 84 Cb 0.40 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 35.56 1pag s LYS 84 CO 0.00 0.40 -0.08 0.00 -0.92 0.00 0.00 175.35 174.75 1pag s ARG 86 N 1.35 3.19 0.03 0.00 3.52 -0.59 -0.98 118.95 125.46 1pag s ARG 86 Ca 0.02 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 54.78 1pag s ARG 86 Cb -0.16 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 1pag s ARG 86 CO -0.06 -0.49 0.22 1.52 -0.81 0.00 0.00 175.30 175.68 1pag s TYR 87 N 1.59 3.54 -0.22 5.12 1.13 -0.29 -1.51 117.35 126.71 1pag s TYR 87 Ca 0.04 0.37 -0.02 0.00 -1.41 0.00 0.00 57.07 56.04 1pag s TYR 87 Cb -0.18 -1.84 0.07 0.00 -1.10 0.00 0.00 41.96 38.91 1pag s TYR 87 CO 0.06 0.61 0.05 -1.01 -2.51 0.00 0.00 175.55 172.75 1pag s HIS 88 N -1.40 1.13 0.00 -3.49 3.76 0.70 -1.93 115.29 114.05 1pag s HIS 88 Ca 0.31 -1.02 -0.15 0.00 -0.15 0.00 0.00 55.06 54.04 1pag s HIS 88 Cb -0.13 -1.14 -0.06 0.00 1.11 0.00 0.00 32.58 32.36 1pag s HIS 88 CO 0.22 -0.67 0.42 0.42 -0.85 0.00 0.00 174.74 174.27 1pag s ILE 89 N 1.82 5.02 0.36 0.60 1.01 -1.26 -1.36 121.20 127.39 1pag s ILE 89 Ca 0.01 0.86 -0.26 0.00 0.00 0.00 0.00 60.65 61.26 1pag s ILE 89 Cb -0.17 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1pag s ILE 89 CO -0.13 0.57 1.13 -0.36 0.00 0.00 0.00 174.94 176.16 1pag s PHE 90 N -1.04 3.25 0.61 3.97 0.08 -0.56 -1.48 117.98 122.81 1pag s PHE 90 Ca 0.24 1.61 0.28 0.00 0.12 0.00 0.00 56.93 59.18 1pag s PHE 90 Cb -0.17 -3.33 1.45 0.00 -0.57 0.00 0.00 43.02 40.40 1pag s PHE 90 CO 0.14 -0.99 1.85 -0.97 -0.10 0.00 0.00 175.22 175.15 1pag h ASN 91 N 2.99 0.00 -0.58 1.36 -1.24 -1.28 -0.82 115.58 116.01 1pag h ASN 91 Ca -0.48 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.43 1pag h ASN 91 Cb 1.22 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.21 1pag h ASN 91 CO 0.64 0.00 0.13 -0.90 -1.29 0.00 0.00 177.43 176.01 1pag n ASP 92 N -3.50 4.82 -4.65 1.15 5.68 -1.26 -4.85 116.55 113.94 1pag n ASP 92 Ca 0.07 -2.94 -0.35 0.00 -0.50 0.00 0.00 54.79 51.07 1pag n ASP 92 Cb 0.66 -0.69 -0.10 0.00 -1.14 0.00 0.00 41.12 39.85 1pag n ASP 92 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pag s ILE 93 N -2.61 4.48 0.18 2.12 -1.09 -0.31 -5.03 121.20 118.93 1pag s ILE 93 Ca 0.48 -0.16 -0.12 0.00 -2.23 0.00 0.00 60.65 58.62 1pag s ILE 93 Cb 0.38 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1pag s ILE 93 CO 0.13 0.54 0.37 -0.94 -1.23 0.00 0.00 174.94 173.81 1pag s SER 94 N -0.30 -0.06 0.34 3.58 1.04 -1.26 -4.74 113.70 112.31 1pag s SER 94 Ca 0.07 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1pag s SER 94 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1pag s SER 94 CO 0.02 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1pag n GLY 95 N -0.27 0.37 0.34 7.32 0.00 -1.26 -3.39 105.19 108.31 1pag n GLY 95 Ca -0.07 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.16 1pag n GLY 95 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pag h THR 96 N 0.00 0.71 -0.80 2.61 2.02 -2.01 -1.25 112.91 114.19 1pag h THR 96 Ca 0.00 -0.25 0.19 0.00 0.77 0.00 0.00 66.41 67.13 1pag h THR 96 Cb 0.00 -0.07 -0.13 0.00 -1.74 0.00 0.00 68.15 66.21 1pag h THR 96 CO 0.00 0.13 0.12 -0.33 0.37 0.00 0.00 175.52 175.81 1pag h GLU 97 N 0.72 0.17 -0.72 6.66 5.08 -1.97 0.16 114.58 124.66 1pag h GLU 97 Ca 0.54 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.87 1pag h GLU 97 Cb 0.82 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1pag h GLU 97 CO -0.38 0.11 0.34 0.00 -1.00 0.00 0.00 179.01 178.08 1pag h ARG 98 N 0.17 1.04 -0.40 2.33 3.08 -1.31 -1.77 114.38 117.52 1pag h ARG 98 Ca 0.47 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 1pag h ARG 98 Cb 0.87 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1pag h ARG 98 CO -0.64 0.82 -0.00 1.96 -1.07 0.00 0.00 179.97 181.04 1pag h GLN 99 N 1.01 0.64 -0.68 0.04 1.08 -1.11 -2.58 115.11 113.50 1pag h GLN 99 Ca 0.25 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1pag h GLN 99 Cb 0.12 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1pag h GLN 99 CO -0.03 0.66 0.27 -0.44 -0.95 0.00 0.00 178.83 178.33 1pag h ASP 100 N 0.60 0.92 -0.20 1.46 5.19 -0.41 -0.31 116.42 123.68 1pag h ASP 100 Ca 0.12 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1pag h ASP 100 Cb 0.38 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1pag h ASP 100 CO 0.01 0.83 0.02 0.58 -3.12 0.00 0.00 179.24 177.56 1pag h VAL 101 N 0.99 1.24 0.45 -1.35 2.07 -0.96 0.12 116.25 118.81 1pag h VAL 101 Ca 0.23 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1pag h VAL 101 Cb 0.20 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1pag h VAL 101 CO -0.02 0.25 -0.51 -0.08 0.02 0.00 0.00 177.57 177.22 1pag h GLU 102 N 0.12 -0.94 -0.94 1.57 4.81 -1.12 -0.34 114.58 117.73 1pag h GLU 102 Ca 0.06 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 1pag h GLU 102 Cb 0.36 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 1pag h GLU 102 CO 0.01 -0.63 0.59 1.15 -0.73 0.00 0.00 179.01 179.40 1pag h THR 103 N -0.98 1.02 0.19 0.32 2.02 -1.04 -0.89 112.91 113.55 1pag h THR 103 Ca -0.05 -0.36 -0.35 0.00 0.77 0.00 0.00 66.41 66.42 1pag h THR 103 Cb 0.86 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1pag h THR 103 CO -0.10 0.19 -1.73 0.74 0.37 0.00 0.00 175.52 174.99 1pag h THR 104 N 1.04 0.96 -0.12 3.16 2.02 -0.70 -3.16 112.91 116.11 1pag h THR 104 Ca 0.42 -2.52 -0.07 0.00 0.77 0.00 0.00 66.41 65.02 1pag h THR 104 Cb 0.25 2.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1pag h THR 104 CO -0.20 0.85 -0.19 -0.07 0.37 0.00 0.00 175.52 176.28 1pag h LEU 105 N 0.10 0.37 -7.15 2.58 3.38 -1.07 -3.36 115.31 110.17 1pag h LEU 105 Ca -0.34 -0.54 -0.64 0.00 0.09 0.00 0.00 57.88 56.46 1pag h LEU 105 Cb 2.10 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 42.34 1pag h LEU 105 CO 0.18 0.84 -0.48 0.00 0.09 0.00 0.00 178.44 179.07 1pag n PRO 107 N 2.09 0.11 -3.76 0.00 -0.04 -1.19 -4.36 135.00 127.85 1pag n PRO 107 Ca 0.19 0.21 -0.36 0.00 -0.04 0.00 0.00 63.50 63.50 1pag n PRO 107 Cb 0.35 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 1pag n PRO 107 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1pag s ASN 108 N -2.57 5.21 0.81 3.54 3.04 -1.26 -5.04 114.94 118.67 1pag s ASN 108 Ca 0.08 -2.43 -0.13 0.00 0.04 0.00 0.00 52.86 50.41 1pag s ASN 108 Cb 0.05 -1.83 0.08 0.00 -1.54 0.00 0.00 41.25 38.01 1pag s ASN 108 CO 0.12 -0.45 1.20 0.00 -3.04 0.00 0.00 177.10 174.93 1pag s ALA 109 N 0.55 1.84 0.00 1.71 0.00 -1.26 -2.27 121.76 122.34 1pag s ALA 109 Ca 0.12 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1pag s ALA 109 Cb -0.22 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1pag s ALA 109 CO -0.04 -2.28 0.00 0.09 0.00 0.00 0.00 175.76 173.53 1pag n ASN 110 N -3.30 0.00 -0.81 0.00 3.02 -1.26 -4.79 115.26 108.12 1pag n ASN 110 Ca 0.13 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.76 1pag n ASN 110 Cb 0.51 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.90 1pag n ASN 110 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pag n SER 111 N 1.02 3.60 -4.80 6.41 3.41 -0.96 -5.05 113.62 117.24 1pag n SER 111 Ca 0.00 -2.73 -0.25 0.00 -0.26 0.00 0.00 58.87 55.62 1pag n SER 111 Cb 0.00 -0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.44 1pag n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pag s ARG 112 N -2.31 2.91 0.03 4.33 1.70 -1.25 -0.96 118.95 123.40 1pag s ARG 112 Ca 0.37 -0.90 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 1pag s ARG 112 Cb 0.28 -2.63 -0.02 0.00 -0.57 0.00 0.00 34.95 32.00 1pag s ARG 112 CO 0.11 0.47 -0.05 0.08 -1.08 0.00 0.00 175.30 174.83 1pag s VAL 113 N -1.82 0.27 0.09 4.99 1.01 -0.16 -4.89 120.40 119.90 1pag s VAL 113 Ca 0.31 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1pag s VAL 113 Cb -0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1pag s VAL 113 CO 0.24 -0.40 0.33 -0.44 0.00 0.00 0.00 175.10 174.83 1pag s SER 114 N -1.36 6.49 -0.29 3.32 0.01 -1.26 -1.14 113.70 119.48 1pag s SER 114 Ca -0.12 0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.72 1pag s SER 114 Cb -0.09 -2.08 0.18 0.00 0.21 0.00 0.00 66.02 64.23 1pag s SER 114 CO -0.00 0.13 0.52 -0.75 0.41 0.00 0.00 173.24 173.55 1pag s LYS 115 N -2.34 0.50 0.75 12.44 2.20 -0.81 -4.92 119.74 127.55 1pag s LYS 115 Ca 0.36 0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 56.48 1pag s LYS 115 Cb -0.13 0.12 0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1pag s LYS 115 CO 0.22 -0.84 1.08 -0.80 -0.36 0.00 0.00 175.35 174.66 1pag s ASN 116 N 2.74 4.94 -0.49 1.43 0.02 -1.26 -3.74 114.94 118.58 1pag s ASN 116 Ca 0.14 1.38 -0.15 0.00 -1.02 0.00 0.00 52.86 53.21 1pag s ASN 116 Cb -0.13 -2.18 0.09 0.00 0.02 0.00 0.00 41.25 39.05 1pag s ASN 116 CO -0.23 -1.69 0.42 -0.63 0.02 0.00 0.00 177.10 174.98 1pag s ILE 117 N -3.15 5.20 0.00 0.60 1.01 -0.55 -4.88 121.20 119.44 1pag s ILE 117 Ca 0.59 -1.19 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1pag s ILE 117 Cb -0.14 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1pag s ILE 117 CO 0.54 -0.65 0.95 0.59 0.00 0.00 0.00 174.94 176.36 1pag n ASN 118 N 5.21 2.63 -3.49 3.58 3.02 -1.26 -2.47 115.26 122.48 1pag n ASN 118 Ca -0.13 -1.58 -0.11 0.00 -0.03 0.00 0.00 54.58 52.73 1pag n ASN 118 Cb 0.43 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1pag n ASN 118 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1pag s PHE 119 N 0.56 -0.47 0.59 3.10 -0.12 -1.26 -4.97 117.98 115.41 1pag s PHE 119 Ca 0.00 0.23 -0.04 0.00 -0.05 0.00 0.00 56.93 57.06 1pag s PHE 119 Cb 0.00 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1pag s PHE 119 CO 0.00 -0.88 0.88 0.16 -0.05 0.00 0.00 175.22 175.33 1pag s ASP 120 N -2.77 5.38 0.00 1.98 -4.77 -1.26 -2.73 116.67 112.50 1pag s ASP 120 Ca 0.02 0.49 0.25 0.00 -3.30 0.00 0.00 52.55 50.01 1pag s ASP 120 Cb -0.01 -1.41 1.28 0.00 -1.09 0.00 0.00 42.92 41.69 1pag s ASP 120 CO -0.11 -1.16 1.82 -1.54 0.70 0.00 0.00 175.17 174.89 1pag n SER 121 N -2.57 0.00 -4.77 2.11 3.41 -1.26 -4.54 113.62 106.01 1pag n SER 121 Ca 0.05 -0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.08 1pag n SER 121 Cb 0.59 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1pag n SER 121 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pag s ARG 122 N -2.47 4.27 0.27 4.33 0.52 -1.26 -4.88 118.95 119.72 1pag s ARG 122 Ca 0.26 1.93 -0.01 0.00 -0.52 0.00 0.00 55.73 57.40 1pag s ARG 122 Cb 0.17 -2.90 0.52 0.00 0.52 0.00 0.00 34.95 33.26 1pag s ARG 122 CO 0.36 -0.16 1.79 1.88 0.02 0.00 0.00 175.30 179.19 1pag h TYR 123 N 3.10 0.92 -0.38 -0.53 0.05 -1.99 -1.90 116.97 116.24 1pag h TYR 123 Ca -0.48 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.34 1pag h TYR 123 Cb 1.23 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1pag h TYR 123 CO 0.56 0.30 0.25 -1.35 -1.05 0.00 0.00 178.16 176.88 1pag h PRO 124 N 0.78 0.48 0.07 4.88 0.11 -1.97 -0.39 132.00 135.96 1pag h PRO 124 Ca 0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 1pag h PRO 124 Cb 0.56 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1pag h PRO 124 CO -0.31 0.32 -0.04 1.15 -0.21 0.00 0.00 178.00 178.91 1pag h THR 125 N 0.50 1.21 -0.47 -1.15 2.02 -1.75 -2.64 112.91 110.64 1pag h THR 125 Ca 0.14 -1.18 0.05 0.00 0.77 0.00 0.00 66.41 66.20 1pag h THR 125 Cb -0.02 1.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 1pag h THR 125 CO -0.03 0.28 0.19 -0.07 0.37 0.00 0.00 175.52 176.26 1pag h LEU 126 N -0.65 0.23 -1.12 2.58 3.38 -1.10 -1.39 115.31 117.24 1pag h LEU 126 Ca -0.01 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1pag h LEU 126 Cb 0.54 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1pag h LEU 126 CO 0.02 0.16 0.60 -0.33 0.09 0.00 0.00 178.44 178.98 1pag h GLU 127 N 0.38 1.00 -0.35 1.13 5.08 -1.13 -1.09 114.58 119.59 1pag h GLU 127 Ca 0.22 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1pag h GLU 127 Cb 0.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1pag h GLU 127 CO -0.20 0.66 -0.14 1.03 -1.00 0.00 0.00 179.01 179.36 1pag h SER 128 N 1.03 0.73 0.66 1.42 0.87 -0.89 0.10 113.55 117.47 1pag h SER 128 Ca 0.41 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 60.38 1pag h SER 128 Cb 0.25 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1pag h SER 128 CO -0.16 0.96 -0.89 0.11 -0.53 0.00 0.00 176.83 176.31 1pag h LYS 129 N 0.50 0.14 0.00 2.24 1.79 -1.04 -2.00 116.57 118.20 1pag h LYS 129 Ca 0.08 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1pag h LYS 129 Cb 0.66 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1pag h LYS 129 CO 0.05 0.94 -0.01 0.00 -1.08 0.00 0.00 179.45 179.35 1pag h ALA 130 N 1.00 1.29 -0.82 3.86 0.00 -0.98 -3.34 119.26 120.27 1pag h ALA 130 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1pag h ALA 130 Cb 1.53 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1pag h ALA 130 CO 0.13 0.01 -0.14 0.41 0.00 0.00 0.00 179.25 179.67 1pag n GLY 131 N -1.15 0.18 3.61 0.00 0.00 -0.14 -5.00 105.19 102.69 1pag n GLY 131 Ca -0.03 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1pag n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pag s VAL 132 N -2.30 2.65 -0.10 1.61 0.11 -0.26 -5.02 120.40 117.09 1pag s VAL 132 Ca 0.01 -2.01 -0.24 0.00 -2.93 0.00 0.00 61.98 56.80 1pag s VAL 132 Cb -0.00 -2.76 -0.28 0.00 -1.53 0.00 0.00 36.38 31.81 1pag s VAL 132 CO 0.01 -0.23 0.78 0.11 -3.33 0.00 0.00 175.10 172.45 1pag h LYS 133 N 1.86 0.16 -4.15 1.54 1.57 -1.97 -3.39 116.57 112.19 1pag h LYS 133 Ca -0.43 -0.27 -0.23 0.00 -1.87 0.00 0.00 60.65 57.86 1pag h LYS 133 Cb 1.25 0.10 -0.23 0.00 0.08 0.00 0.00 32.23 33.43 1pag h LYS 133 CO 0.66 1.13 -0.72 0.45 -0.57 0.00 0.00 179.45 180.40 1pag s SER 134 N -6.66 0.42 -0.14 0.86 0.15 -1.26 -4.95 113.70 102.12 1pag s SER 134 Ca -0.17 -0.40 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 1pag s SER 134 Cb -0.00 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 1pag s SER 134 CO 0.76 -0.19 1.55 0.00 1.20 0.00 0.00 173.24 176.56 1pag s ARG 135 N -1.13 4.06 0.00 5.44 1.70 -1.26 -1.92 118.95 125.84 1pag s ARG 135 Ca -0.10 1.89 0.00 0.00 -0.47 0.00 0.00 55.73 57.05 1pag s ARG 135 Cb -0.08 -3.95 0.00 0.00 -0.57 0.00 0.00 34.95 30.35 1pag s ARG 135 CO -0.00 -0.96 0.00 -1.13 -1.08 0.00 0.00 175.30 172.12 1pag n SER 136 N 7.45 0.00 -0.40 -2.89 3.41 -1.26 -4.85 113.62 115.08 1pag n SER 136 Ca 0.17 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1pag n SER 136 Cb 0.44 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.89 1pag n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pag n GLN 137 N 0.00 1.54 -4.68 4.33 6.02 -0.81 -4.45 117.38 119.33 1pag n GLN 137 Ca 0.00 -0.80 -0.28 0.00 -0.01 0.00 0.00 57.00 55.91 1pag n GLN 137 Cb 0.00 -1.41 -0.17 0.00 1.02 0.00 0.00 30.24 29.68 1pag n GLN 137 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pag s VAL 138 N -1.90 1.53 0.46 5.09 0.11 -1.26 -5.09 120.40 119.34 1pag s VAL 138 Ca 0.35 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.51 1pag s VAL 138 Cb 0.18 -1.38 -0.10 0.00 -1.53 0.00 0.00 36.38 33.56 1pag s VAL 138 CO 0.29 0.45 0.96 -1.10 -3.33 0.00 0.00 175.10 172.36 1pag s GLN 139 N 0.74 4.13 0.39 1.54 -0.21 -1.26 -4.62 119.66 120.35 1pag s GLN 139 Ca -0.12 1.06 0.08 0.00 0.02 0.00 0.00 55.36 56.39 1pag s GLN 139 Cb -0.16 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 1pag s GLN 139 CO 0.02 -0.12 0.21 -0.51 -2.12 0.00 0.00 175.29 172.78 1pag s LEU 140 N -3.50 3.23 0.00 2.90 1.02 0.41 -4.91 118.68 117.83 1pag s LEU 140 Ca 0.61 -0.89 0.00 0.00 0.02 0.00 0.00 54.13 53.87 1pag s LEU 140 Cb -0.09 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.43 1pag s LEU 140 CO 0.20 -0.47 0.00 0.61 0.02 0.00 0.00 176.35 176.71 1pag n GLY 141 N -1.27 3.82 0.24 -3.19 0.00 -1.26 -1.64 105.19 101.89 1pag n GLY 141 Ca -0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 1pag n GLY 141 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pag h ILE 142 N 2.94 0.60 -0.86 -0.61 1.08 -1.86 -0.08 117.51 118.72 1pag h ILE 142 Ca 0.00 -0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1pag h ILE 142 Cb 0.00 0.60 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 1pag h ILE 142 CO 0.00 0.00 0.50 1.56 -0.69 0.00 0.00 178.15 179.52 1pag h GLN 143 N -0.55 0.79 -0.58 2.37 7.50 -1.90 -1.27 115.11 121.47 1pag h GLN 143 Ca -0.06 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 58.99 1pag h GLN 143 Cb 0.42 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.75 1pag h GLN 143 CO 0.09 0.52 0.12 0.82 -1.50 0.00 0.00 178.83 178.89 1pag h ILE 144 N 0.82 1.24 -0.46 2.54 2.04 -1.80 -0.90 117.51 120.99 1pag h ILE 144 Ca 0.42 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1pag h ILE 144 Cb 0.42 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1pag h ILE 144 CO -0.26 0.33 0.29 0.25 0.00 0.00 0.00 178.15 178.76 1pag h LEU 145 N 0.87 0.54 0.18 1.44 5.85 -0.38 -0.69 115.31 123.12 1pag h LEU 145 Ca 0.19 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1pag h LEU 145 Cb 0.34 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1pag h LEU 145 CO 0.00 0.41 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.61 1pag h ASP 146 N 0.62 -0.33 -0.18 1.25 3.58 -1.01 -0.82 116.42 119.54 1pag h ASP 146 Ca 0.17 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1pag h ASP 146 Cb -0.04 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1pag h ASP 146 CO -0.03 -0.21 -0.02 0.77 -2.88 0.00 0.00 179.24 176.87 1pag h SER 147 N -0.32 0.43 -0.26 2.28 4.64 -0.98 -1.63 113.55 117.71 1pag h SER 147 Ca -0.01 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 1pag h SER 147 Cb 0.27 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1pag h SER 147 CO 0.00 0.51 0.08 0.78 -0.87 0.00 0.00 176.83 177.33 1pag h ASN 148 N 0.44 0.38 -0.79 4.97 4.21 -0.83 -0.50 115.58 123.45 1pag h ASN 148 Ca 0.10 -0.20 0.17 0.00 1.21 0.00 0.00 56.30 57.57 1pag h ASN 148 Cb 0.32 -0.10 -0.11 0.00 -1.12 0.00 0.00 38.32 37.31 1pag h ASN 148 CO 0.01 0.48 0.28 0.40 -1.29 0.00 0.00 177.43 177.31 1pag h ILE 149 N 0.25 0.55 -0.36 2.81 2.04 -0.73 -1.28 117.51 120.80 1pag h ILE 149 Ca 0.08 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1pag h ILE 149 Cb 0.24 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1pag h ILE 149 CO -0.00 0.07 0.18 1.23 0.00 0.00 0.00 178.15 179.63 1pag h GLY 150 N 0.37 0.52 2.00 5.37 0.00 -0.30 0.15 103.07 111.18 1pag h GLY 150 Ca 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1pag h GLY 150 CO -0.48 0.21 0.00 0.28 0.00 0.00 0.00 176.54 176.55 1pag n LYS 151 N -4.43 0.22 -0.06 4.80 4.01 -0.30 -4.37 118.16 118.02 1pag n LYS 151 Ca 0.02 0.29 -0.12 0.00 -0.51 0.00 0.00 58.31 57.99 1pag n LYS 151 Cb 0.11 -1.81 -0.05 0.00 -0.51 0.00 0.00 35.03 32.77 1pag n LYS 151 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1pag n ILE 152 N -2.20 0.66 -1.63 -0.18 2.08 -0.77 -4.81 119.36 112.51 1pag n ILE 152 Ca 0.04 -0.19 -0.50 0.00 0.56 0.00 0.00 62.75 62.67 1pag n ILE 152 Cb 0.34 -1.51 -0.06 0.00 -0.75 0.00 0.00 39.64 37.67 1pag n ILE 152 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1pag n SER 153 N -3.40 2.96 -1.12 4.38 2.88 -0.03 -1.45 113.62 117.84 1pag n SER 153 Ca -0.23 0.80 -0.15 0.00 -1.33 0.00 0.00 58.87 57.96 1pag n SER 153 Cb 0.68 -1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 62.76 1pag n SER 153 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pag n GLY 154 N 4.98 1.42 3.80 0.46 0.00 -1.23 -4.93 105.19 109.67 1pag n GLY 154 Ca 0.28 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1pag n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pag s VAL 155 N -2.30 5.16 0.23 1.61 -7.23 -0.53 -4.77 120.40 112.57 1pag s VAL 155 Ca 0.00 0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.19 1pag s VAL 155 Cb 0.00 -3.25 0.19 0.00 0.56 0.00 0.00 36.38 33.88 1pag s VAL 155 CO 0.00 0.58 1.80 -0.03 -0.31 0.00 0.00 175.10 177.14 1pag h MET 156 N 5.38 0.71 -3.66 4.82 1.85 -1.95 -3.43 114.93 118.66 1pag h MET 156 Ca -0.51 -0.04 -0.20 0.00 -0.61 0.00 0.00 59.70 58.34 1pag h MET 156 Cb 1.21 -0.16 -0.26 0.00 0.43 0.00 0.00 31.60 32.82 1pag h MET 156 CO 0.60 0.47 -0.64 -1.12 -0.40 0.00 0.00 176.91 175.82 1pag s SER 157 N -5.59 0.01 0.00 1.39 0.01 -1.26 -5.06 113.70 103.20 1pag s SER 157 Ca -0.13 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1pag s SER 157 Cb 0.18 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1pag s SER 157 CO 0.77 -0.11 0.00 2.22 0.41 0.00 0.00 173.24 176.53 1pag n PHE 158 N 2.61 0.00 -0.57 2.43 1.16 -1.26 -5.09 117.46 116.74 1pag n PHE 158 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 1pag n PHE 158 Cb 0.58 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 1pag n PHE 158 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1pag n THR 159 N 0.00 -1.28 0.14 1.97 -1.04 -1.26 -4.39 114.28 108.42 1pag n THR 159 Ca 0.00 0.58 0.01 0.00 -2.04 0.00 0.00 64.05 62.60 1pag n THR 159 Cb 0.08 -0.93 0.33 0.00 -1.82 0.00 0.00 70.33 68.00 1pag n THR 159 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1pag h GLU 160 N 0.14 0.15 -0.45 -2.82 5.08 -1.99 -2.15 114.58 112.55 1pag h GLU 160 Ca 0.00 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1pag h GLU 160 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1pag h GLU 160 CO 0.00 0.44 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.07 1pag h LYS 161 N 0.14 0.89 -0.59 2.33 3.64 -1.88 0.22 116.57 121.32 1pag h LYS 161 Ca 0.02 -0.37 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 1pag h LYS 161 Cb 0.59 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1pag h LYS 161 CO 0.04 1.02 0.10 1.15 -2.27 0.00 0.00 179.45 179.49 1pag h THR 162 N 0.73 1.26 -0.19 1.00 2.02 -1.73 -1.85 112.91 114.15 1pag h THR 162 Ca 0.11 -0.98 -0.16 0.00 0.77 0.00 0.00 66.41 66.15 1pag h THR 162 Cb 0.72 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1pag h THR 162 CO 0.05 0.36 -0.49 -0.08 0.37 0.00 0.00 175.52 175.73 1pag h GLU 163 N 0.88 0.66 -0.82 6.66 4.81 -1.06 -1.61 114.58 124.10 1pag h GLU 163 Ca 0.18 -0.46 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1pag h GLU 163 Cb 0.41 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1pag h GLU 163 CO 0.01 1.08 0.36 0.00 -0.73 0.00 0.00 179.01 179.73 1pag h ALA 164 N 0.58 1.06 -0.21 2.92 0.00 -0.94 -1.97 119.26 120.70 1pag h ALA 164 Ca -0.01 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1pag h ALA 164 Cb 1.11 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1pag h ALA 164 CO 0.11 0.66 0.08 0.93 0.00 0.00 0.00 179.25 181.02 1pag h GLU 165 N 1.17 0.17 -0.24 0.00 5.08 -1.24 0.58 114.58 120.10 1pag h GLU 165 Ca 0.28 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1pag h GLU 165 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1pag h GLU 165 CO -0.03 0.11 0.03 0.35 -1.00 0.00 0.00 179.01 178.48 1pag h PHE 166 N 0.18 0.05 -0.49 4.33 3.57 -0.88 -2.75 116.94 120.95 1pag h PHE 166 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1pag h PHE 166 Cb 0.06 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1pag h PHE 166 CO -0.12 0.00 0.01 -0.07 -2.23 0.00 0.00 178.31 175.91 1pag h LEU 167 N 0.12 0.78 -0.56 0.59 4.07 -0.93 -0.56 115.31 118.82 1pag h LEU 167 Ca 0.11 -0.19 -0.06 0.00 0.08 0.00 0.00 57.88 57.82 1pag h LEU 167 Cb 0.12 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1pag h LEU 167 CO -0.16 0.84 0.11 -0.07 -1.08 0.00 0.00 178.44 178.09 1pag h LEU 168 N 0.76 0.87 -0.27 1.67 3.38 -0.61 -1.28 115.31 119.83 1pag h LEU 168 Ca 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1pag h LEU 168 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pag h LEU 168 CO 0.02 0.90 -0.00 0.58 0.09 0.00 0.00 178.44 180.02 1pag h VAL 169 N 0.81 1.26 -0.23 1.22 2.07 -1.25 -2.92 116.25 117.21 1pag h VAL 169 Ca 0.17 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1pag h VAL 169 Cb 0.38 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1pag h VAL 169 CO 0.01 0.29 0.01 0.00 0.02 0.00 0.00 177.57 177.90 1pag h ALA 170 N 0.82 0.31 -0.83 1.67 0.00 -0.97 -1.90 119.26 118.35 1pag h ALA 170 Ca 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pag h ALA 170 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1pag h ALA 170 CO 0.01 0.02 0.41 0.82 0.00 0.00 0.00 179.25 180.51 1pag h ILE 171 N 0.17 1.26 -0.16 0.00 2.04 -1.31 -0.22 117.51 119.29 1pag h ILE 171 Ca 0.07 -0.70 -0.12 0.00 1.00 0.00 0.00 64.86 65.11 1pag h ILE 171 Cb 0.38 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1pag h ILE 171 CO 0.01 0.30 -0.41 1.56 0.00 0.00 0.00 178.15 179.62 1pag h GLN 172 N 1.18 0.35 0.00 2.37 4.20 -1.51 -1.33 115.11 120.38 1pag h GLN 172 Ca 0.29 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1pag h GLN 172 Cb 0.10 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1pag h GLN 172 CO -0.04 0.71 -0.71 0.52 -0.67 0.00 0.00 178.83 178.64 1pag h MET 173 N 0.29 0.00 0.00 1.46 2.86 -1.04 -2.69 114.93 115.82 1pag h MET 173 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1pag h MET 173 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1pag h MET 173 CO 0.07 0.00 0.00 0.28 1.06 0.00 0.00 176.91 178.32 1pag n VAL 174 N -2.32 0.00 0.12 -2.22 0.31 -0.12 -4.48 118.33 109.62 1pag n VAL 174 Ca 0.02 0.31 -0.14 0.00 -0.01 0.00 0.00 64.34 64.53 1pag n VAL 174 Cb 0.47 -1.31 -0.08 0.00 -0.91 0.00 0.00 33.84 32.02 1pag n VAL 174 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1pag h SER 175 N 0.00 -0.21 -0.56 4.52 0.02 -1.49 -2.57 113.55 113.27 1pag h SER 175 Ca 0.00 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1pag h SER 175 Cb 0.00 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1pag h SER 175 CO 0.00 -0.05 0.12 -0.33 -1.14 0.00 0.00 176.83 175.43 1pag h GLU 176 N -0.36 0.90 -0.42 3.45 4.39 -1.35 -2.61 114.58 118.59 1pag h GLU 176 Ca -0.03 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1pag h GLU 176 Cb 0.28 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1pag h GLU 176 CO 0.04 0.85 0.21 0.00 -1.16 0.00 0.00 179.01 178.95 1pag h ALA 177 N 1.01 1.58 -0.20 3.43 0.00 -1.49 -1.22 119.26 122.37 1pag h ALA 177 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1pag h ALA 177 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1pag h ALA 177 CO 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 179.25 179.27 1pag h ALA 178 N 1.65 1.05 -0.06 0.00 0.00 -1.29 -3.23 119.26 117.37 1pag h ALA 178 Ca 0.15 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1pag h ALA 178 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pag h ALA 178 CO -0.02 0.58 -0.28 0.00 0.00 0.00 0.00 179.25 179.53 1pag h ARG 179 N 0.36 0.30 -4.90 0.00 3.08 -1.04 -3.38 114.38 108.80 1pag h ARG 179 Ca 0.04 -0.24 -0.67 0.00 0.07 0.00 0.00 59.98 59.19 1pag h ARG 179 Cb 0.76 0.05 -0.30 0.00 0.08 0.00 0.00 29.97 30.56 1pag h ARG 179 CO 0.06 0.88 -0.71 -0.06 -1.07 0.00 0.00 179.97 179.07 1pag s PHE 180 N -3.65 3.06 0.43 3.04 0.08 -0.51 -0.38 117.98 120.06 1pag s PHE 180 Ca -0.15 -1.27 0.10 0.00 0.12 0.00 0.00 56.93 55.73 1pag s PHE 180 Cb 0.03 -2.12 0.96 0.00 -0.57 0.00 0.00 43.02 41.33 1pag s PHE 180 CO 0.76 -0.65 2.06 -0.22 -0.10 0.00 0.00 175.22 177.08 1pag h LYS 181 N 8.09 0.42 -0.46 0.44 1.63 -1.31 0.42 116.57 125.80 1pag h LYS 181 Ca -0.34 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1pag h LYS 181 Cb 1.12 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1pag h LYS 181 CO 0.59 0.28 0.27 -0.92 -3.45 0.00 0.00 179.45 176.22 1pag h TYR 182 N 0.43 0.61 -0.20 1.91 3.20 -1.74 -0.57 116.97 120.62 1pag h TYR 182 Ca 0.15 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 1pag h TYR 182 Cb 0.05 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1pag h TYR 182 CO -0.00 0.44 -0.58 0.82 -1.64 0.00 0.00 178.16 177.20 1pag h ILE 183 N 0.61 1.31 -0.49 1.81 2.04 -1.24 -1.35 117.51 120.21 1pag h ILE 183 Ca 0.16 -1.82 0.10 0.00 1.00 0.00 0.00 64.86 64.30 1pag h ILE 183 Cb 0.01 1.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 1pag h ILE 183 CO -0.03 0.57 -0.05 -0.08 0.00 0.00 0.00 178.15 178.56 1pag h GLU 184 N 0.47 0.06 -0.26 2.37 4.81 -1.07 0.53 114.58 121.49 1pag h GLU 184 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1pag h GLU 184 Cb 1.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1pag h GLU 184 CO 0.11 0.04 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.50 1pag h ASN 185 N 0.06 0.36 -0.05 1.04 2.35 -0.86 -1.37 115.58 117.11 1pag h ASN 185 Ca 0.24 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1pag h ASN 185 Cb 0.37 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1pag h ASN 185 CO -0.45 0.45 -0.14 1.56 -1.65 0.00 0.00 177.43 177.20 1pag h GLN 186 N 0.38 0.36 -0.23 0.81 1.08 0.24 0.54 115.11 118.30 1pag h GLN 186 Ca 0.08 -0.10 -0.20 0.00 -1.45 0.00 0.00 58.65 56.98 1pag h GLN 186 Cb 0.29 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1pag h GLN 186 CO 0.01 0.50 -0.66 0.28 -0.95 0.00 0.00 178.83 178.02 1pag h VAL 187 N 0.34 1.27 0.01 -0.54 2.07 -0.92 -3.02 116.25 115.46 1pag h VAL 187 Ca 0.07 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1pag h VAL 187 Cb 0.45 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1pag h VAL 187 CO 0.03 0.59 -0.01 0.11 0.02 0.00 0.00 177.57 178.31 1pag h LYS 188 N 0.61 -0.02 -0.25 1.57 1.57 -0.48 -0.80 116.57 118.78 1pag h LYS 188 Ca -0.02 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1pag h LYS 188 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1pag h LYS 188 CO 0.14 0.38 0.30 1.15 -0.57 0.00 0.00 179.45 180.85 1pag h THR 189 N -0.42 0.37 -0.05 -0.16 2.02 -0.99 -1.74 112.91 111.94 1pag h THR 189 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1pag h THR 189 Cb 0.41 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1pag h THR 189 CO 0.00 0.00 -0.20 0.59 0.37 0.00 0.00 175.52 176.29 1pag n ASN 190 N -3.66 2.24 0.10 4.18 3.02 -1.05 -4.88 115.26 115.22 1pag n ASN 190 Ca 0.03 -3.46 0.20 0.00 -0.03 0.00 0.00 54.58 51.33 1pag n ASN 190 Cb 0.44 -0.50 0.73 0.00 -0.61 0.00 0.00 39.78 39.84 1pag n ASN 190 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1pag h PHE 191 N 0.61 0.00 -0.38 3.10 3.57 -0.20 -1.45 116.94 122.19 1pag h PHE 191 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1pag h PHE 191 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1pag h PHE 191 CO 0.42 0.00 0.00 0.09 -2.23 0.00 0.00 178.31 176.59 1pag n ASN 192 N -3.58 4.15 -3.65 0.41 3.02 -1.26 -4.72 115.26 109.63 1pag n ASN 192 Ca 0.07 -2.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.75 1pag n ASN 192 Cb 0.65 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.25 1pag n ASN 192 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pag s ARG 193 N -2.38 1.01 0.51 3.52 1.70 -0.55 -5.09 118.95 117.68 1pag s ARG 193 Ca 0.42 -0.59 -0.21 0.00 -0.47 0.00 0.00 55.73 54.87 1pag s ARG 193 Cb 0.32 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 35.08 1pag s ARG 193 CO 0.13 -0.38 1.19 0.00 -1.08 0.00 0.00 175.30 175.16 1pag s ALA 194 N -3.34 2.84 0.10 7.88 0.00 -1.26 -4.72 121.76 123.25 1pag s ALA 194 Ca 0.00 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.94 1pag s ALA 194 Cb 0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1pag s ALA 194 CO -0.09 -0.84 -0.04 -0.59 0.00 0.00 0.00 175.76 174.21 1pag s PHE 195 N -1.57 0.82 -0.15 0.00 -0.71 -0.65 -4.95 117.98 110.76 1pag s PHE 195 Ca 0.68 -1.00 -0.06 0.00 -1.04 0.00 0.00 56.93 55.51 1pag s PHE 195 Cb -0.29 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 40.98 1pag s PHE 195 CO 0.35 -0.26 0.06 -0.80 -1.34 0.00 0.00 175.22 173.23 1pag s ASN 196 N -3.02 5.68 0.09 1.98 0.01 -1.26 -0.44 114.94 117.97 1pag s ASN 196 Ca 0.13 0.16 -0.33 0.00 -0.71 0.00 0.00 52.86 52.11 1pag s ASN 196 Cb 0.06 -1.89 -0.12 0.00 0.41 0.00 0.00 41.25 39.72 1pag s ASN 196 CO -0.05 0.25 1.75 -2.65 -1.51 0.00 0.00 177.10 174.90 1pag n PRO 197 N 3.00 2.40 -1.85 -0.60 -0.02 -1.26 -5.01 135.00 131.66 1pag n PRO 197 Ca -0.18 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 1pag n PRO 197 Cb 0.53 -2.71 0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1pag n PRO 197 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1pag s ASN 198 N 2.32 5.19 0.33 2.55 2.20 -1.26 -4.81 114.94 121.46 1pag s ASN 198 Ca 0.83 1.09 0.11 0.00 -0.94 0.00 0.00 52.86 53.95 1pag s ASN 198 Cb -0.61 -1.84 0.96 0.00 -2.00 0.00 0.00 41.25 37.76 1pag s ASN 198 CO 0.41 -1.50 1.69 -0.65 -2.94 0.00 0.00 177.10 174.11 1pag h PRO 199 N -0.77 0.43 -0.45 3.55 0.11 -1.85 -2.27 132.00 130.76 1pag h PRO 199 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1pag h PRO 199 Cb 1.27 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1pag h PRO 199 CO 0.64 0.28 -0.03 -0.22 -0.21 0.00 0.00 178.00 178.47 1pag h LYS 200 N 0.44 0.75 -0.24 1.05 3.64 -1.72 0.93 116.57 121.42 1pag h LYS 200 Ca 0.67 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.70 1pag h LYS 200 Cb 1.40 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1pag h LYS 200 CO -0.54 0.78 -0.42 -0.39 -2.27 0.00 0.00 179.45 176.60 1pag h VAL 201 N 0.70 1.31 -0.03 2.00 -1.51 -1.76 -0.79 116.25 116.17 1pag h VAL 201 Ca 0.13 -1.63 -0.08 0.00 -1.23 0.00 0.00 66.70 63.90 1pag h VAL 201 Cb 0.46 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1pag h VAL 201 CO 0.02 0.51 -0.34 -0.07 -1.23 0.00 0.00 177.57 176.47 1pag h LEU 202 N 0.42 0.06 -0.09 4.19 3.38 -1.28 -2.21 115.31 119.78 1pag h LEU 202 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pag h LEU 202 Cb 1.02 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1pag h LEU 202 CO 0.09 0.40 -0.08 -1.13 0.09 0.00 0.00 178.44 177.81 1pag h ASN 203 N 0.06 0.24 -0.80 -0.43 -1.24 -0.61 -2.77 115.58 110.01 1pag h ASN 203 Ca 0.01 -0.47 0.02 0.00 0.71 0.00 0.00 56.30 56.57 1pag h ASN 203 Cb 0.63 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 1pag h ASN 203 CO 0.05 0.66 0.53 0.25 -1.29 0.00 0.00 177.43 177.62 1pag h LEU 204 N -0.18 0.89 -0.00 0.34 5.85 -0.98 -0.09 115.31 121.14 1pag h LEU 204 Ca 0.02 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1pag h LEU 204 Cb 0.58 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1pag h LEU 204 CO 0.02 0.63 -0.30 1.56 -0.34 0.00 0.00 178.44 180.01 1pag h GLN 205 N 1.05 -0.36 0.00 1.25 4.20 -1.40 -2.12 115.11 117.74 1pag h GLN 205 Ca 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1pag h GLN 205 Cb -0.06 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1pag h GLN 205 CO -0.09 -0.24 -0.05 0.93 -0.67 0.00 0.00 178.83 178.71 1pag h GLU 206 N -0.37 0.00 -0.66 1.46 5.08 -1.17 -2.94 114.58 115.98 1pag h GLU 206 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pag h GLU 206 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1pag h GLU 206 CO -0.20 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 178.11 1pag n THR 207 N -3.39 1.28 -0.12 1.13 -2.24 -0.08 -4.64 114.28 106.22 1pag n THR 207 Ca -0.02 -1.08 0.12 0.00 -2.27 0.00 0.00 64.05 60.80 1pag n THR 207 Cb 0.19 0.37 0.48 0.00 -2.10 0.00 0.00 70.33 69.28 1pag n THR 207 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1pag h TRP 208 N 3.97 0.50 0.17 4.78 7.01 -1.20 -1.34 115.95 129.85 1pag h TRP 208 Ca 0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1pag h TRP 208 Cb 1.12 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1pag h TRP 208 CO 0.55 0.23 -0.08 0.78 -2.79 0.00 0.00 178.44 177.13 1pag h GLY 209 N 0.47 -0.24 1.00 2.65 0.00 -1.86 -1.79 103.07 103.31 1pag h GLY 209 Ca 0.31 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1pag h GLY 209 CO -0.10 -0.09 0.42 1.70 0.00 0.00 0.00 176.54 178.48 1pag h LYS 210 N -0.49 0.94 -0.56 4.80 3.64 -1.74 -0.92 116.57 122.23 1pag h LYS 210 Ca -0.02 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1pag h LYS 210 Cb 0.38 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1pag h LYS 210 CO 0.04 0.66 0.26 0.82 -2.27 0.00 0.00 179.45 178.96 1pag h ILE 211 N 0.94 0.88 -0.71 2.00 2.04 -1.20 -1.09 117.51 120.37 1pag h ILE 211 Ca 0.25 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1pag h ILE 211 Cb -0.04 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1pag h ILE 211 CO -0.05 0.09 0.27 0.28 0.00 0.00 0.00 178.15 178.74 1pag h SER 212 N 0.48 0.98 -0.17 1.72 0.02 -0.54 -1.37 113.55 114.66 1pag h SER 212 Ca 0.26 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pag h SER 212 Cb 0.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1pag h SER 212 CO -0.22 0.90 0.07 0.74 -1.14 0.00 0.00 176.83 177.18 1pag h THR 213 N 1.01 1.16 -0.72 -2.27 2.02 -1.10 -2.35 112.91 110.66 1pag h THR 213 Ca 0.23 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1pag h THR 213 Cb 0.23 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1pag h THR 213 CO -0.02 0.15 0.45 0.00 0.37 0.00 0.00 175.52 176.47 1pag h ALA 214 N 0.92 0.92 -0.08 6.16 0.00 -0.78 -0.01 119.26 126.38 1pag h ALA 214 Ca 0.06 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1pag h ALA 214 Cb 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pag h ALA 214 CO -0.01 0.37 -0.72 0.82 0.00 0.00 0.00 179.25 179.71 1pag h ILE 215 N 0.98 1.33 -0.44 0.00 2.04 -1.31 -1.66 117.51 118.45 1pag h ILE 215 Ca 0.26 -2.00 0.06 0.00 1.00 0.00 0.00 64.86 64.18 1pag h ILE 215 Cb -0.06 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1pag h ILE 215 CO -0.05 0.61 0.13 -0.74 0.00 0.00 0.00 178.15 178.10 1pag h HIS 216 N 0.28 0.23 0.00 1.37 2.76 -1.12 -2.80 115.15 115.87 1pag h HIS 216 Ca -0.07 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1pag h HIS 216 Cb 1.37 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1pag h HIS 216 CO 0.11 0.06 -0.00 -0.25 -1.30 0.00 0.00 177.93 176.55 1pag n ASP 217 N -5.04 0.52 -4.70 3.26 8.00 -0.04 -4.56 116.55 113.98 1pag n ASP 217 Ca 0.04 0.55 -0.43 0.00 0.71 0.00 0.00 54.79 55.65 1pag n ASP 217 Cb 0.18 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 1pag n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pag n ALA 218 N -1.68 2.35 -2.76 2.24 0.00 -0.63 -4.66 120.51 115.37 1pag n ALA 218 Ca 0.06 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.57 1pag n ALA 218 Cb 0.40 -2.47 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 1pag n ALA 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pag s LYS 219 N 1.07 3.58 -1.37 0.00 -0.14 -0.46 -4.54 119.74 117.88 1pag s LYS 219 Ca 0.76 -0.06 -0.17 0.00 -1.36 0.00 0.00 55.97 55.14 1pag s LYS 219 Cb -0.56 -3.10 0.17 0.00 -1.68 0.00 0.00 37.83 32.66 1pag s LYS 219 CO 0.34 0.66 0.44 0.09 -0.76 0.00 0.00 175.35 176.12 1pag n ASN 220 N 1.23 -1.39 0.00 2.83 4.13 -1.26 0.47 115.26 121.28 1pag n ASN 220 Ca -0.12 -0.88 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1pag n ASN 220 Cb 0.53 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.55 1pag n ASN 220 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pag n GLY 221 N -0.90 2.96 3.75 7.41 0.00 -1.26 -5.02 105.19 112.13 1pag n GLY 221 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1pag n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pag s VAL 222 N -1.54 5.13 0.72 1.61 0.11 0.18 -0.90 120.40 125.70 1pag s VAL 222 Ca 0.00 0.94 -0.15 0.00 -2.93 0.00 0.00 61.98 59.84 1pag s VAL 222 Cb 0.00 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 31.08 1pag s VAL 222 CO 0.00 0.39 1.19 -0.76 -3.33 0.00 0.00 175.10 172.59 1pag s LEU 223 N 0.18 3.33 0.46 2.54 1.02 -0.51 -1.36 118.68 124.34 1pag s LEU 223 Ca 0.26 2.30 0.17 0.00 0.02 0.00 0.00 54.13 56.88 1pag s LEU 223 Cb -0.16 -4.58 1.07 0.00 0.02 0.00 0.00 46.19 42.54 1pag s LEU 223 CO 0.11 -2.16 2.00 -0.65 0.02 0.00 0.00 176.35 175.67 1pag h PRO 224 N -0.22 0.00 -1.15 1.29 0.11 -1.83 -3.44 132.00 126.75 1pag h PRO 224 Ca -0.48 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1pag h PRO 224 Cb 1.29 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.14 1pag h PRO 224 CO 0.50 0.18 0.36 -1.59 -0.21 0.00 0.00 178.00 177.24 1pag s LYS 225 N -4.53 0.29 0.25 1.05 0.00 -1.26 -5.14 119.74 110.39 1pag s LYS 225 Ca -0.04 0.60 -0.30 0.00 0.00 0.00 0.00 55.97 56.24 1pag s LYS 225 Cb 0.15 0.23 -0.15 0.00 0.00 0.00 0.00 37.83 38.07 1pag s LYS 225 CO 0.68 -0.08 1.08 -0.35 0.00 0.00 0.00 175.35 176.68 1pag n PRO 226 N 4.28 1.32 -3.12 1.78 -0.04 -1.26 -4.91 135.00 133.05 1pag n PRO 226 Ca -0.13 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.38 1pag n PRO 226 Cb 0.55 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 1pag n PRO 226 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pag s LEU 227 N 0.53 4.25 -0.22 1.53 2.96 -0.04 -4.90 118.68 122.79 1pag s LEU 227 Ca 0.64 0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.53 1pag s LEU 227 Cb -0.75 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1pag s LEU 227 CO 0.57 -0.58 0.51 -1.61 -1.32 0.00 0.00 176.35 173.92 1pag s GLU 228 N 2.69 4.15 0.39 1.98 2.02 -1.26 -0.77 118.70 127.89 1pag s GLU 228 Ca 0.24 0.37 0.04 0.00 0.02 0.00 0.00 54.97 55.63 1pag s GLU 228 Cb -0.15 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 1pag s GLU 228 CO 0.14 -0.21 0.11 -0.51 0.02 0.00 0.00 175.26 174.82 1pag s LEU 229 N 1.83 2.01 -0.11 1.80 1.02 0.68 -4.96 118.68 120.95 1pag s LEU 229 Ca 0.23 -1.61 0.03 0.00 0.02 0.00 0.00 54.13 52.80 1pag s LEU 229 Cb -0.15 -0.16 0.00 0.00 0.02 0.00 0.00 46.19 45.90 1pag s LEU 229 CO 0.09 -0.87 -0.23 -0.69 0.02 0.00 0.00 176.35 174.68 1pag s VAL 230 N -3.25 2.00 0.70 -1.59 1.01 -1.26 0.28 120.40 118.30 1pag s VAL 230 Ca 0.26 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1pag s VAL 230 Cb 0.04 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.76 1pag s VAL 230 CO 0.14 0.55 1.00 1.51 0.00 0.00 0.00 175.10 178.30 1pag s ASP 231 N 0.49 4.64 0.65 3.32 -4.77 0.03 -4.17 116.67 116.86 1pag s ASP 231 Ca -0.15 0.18 0.24 0.00 -3.30 0.00 0.00 52.55 49.52 1pag s ASP 231 Cb -0.17 -0.77 1.27 0.00 -1.09 0.00 0.00 42.92 42.16 1pag s ASP 231 CO 0.06 -1.68 1.72 0.00 0.70 0.00 0.00 175.17 175.97 1pag h ALA 232 N -0.56 1.66 0.04 2.11 0.00 -1.91 -0.24 119.26 120.35 1pag h ALA 232 Ca -0.42 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 1pag h ALA 232 Cb 1.29 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1pag h ALA 232 CO 0.53 -0.58 -1.60 0.66 0.00 0.00 0.00 179.25 178.26 1pag h SER 233 N 0.00 0.12 0.00 0.00 4.64 -1.98 -3.38 113.55 112.95 1pag h SER 233 Ca 0.05 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1pag h SER 233 Cb 1.09 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1pag h SER 233 CO -0.00 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 1pag n GLY 234 N 1.60 1.40 3.72 -0.77 0.00 -0.10 -4.98 105.19 106.05 1pag n GLY 234 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1pag n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pag n ALA 235 N 0.00 1.10 -1.76 4.61 0.00 -1.26 -4.64 120.51 118.55 1pag n ALA 235 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1pag n ALA 235 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1pag n ALA 235 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pag s LYS 236 N -3.34 3.67 -0.01 0.00 2.20 -1.26 -0.79 119.74 120.21 1pag s LYS 236 Ca 0.83 2.00 0.02 0.00 -0.36 0.00 0.00 55.97 58.46 1pag s LYS 236 Cb -0.38 -2.48 -0.00 0.00 -1.51 0.00 0.00 37.83 33.46 1pag s LYS 236 CO 0.40 -0.69 -0.07 -0.46 -0.36 0.00 0.00 175.35 174.17 1pag s TRP 237 N -1.40 0.70 -0.23 4.03 -0.00 0.14 -4.70 118.94 117.49 1pag s TRP 237 Ca 0.63 -0.15 -0.00 0.00 -0.00 0.00 0.00 56.10 56.59 1pag s TRP 237 Cb -0.34 -0.49 0.03 0.00 -0.00 0.00 0.00 33.47 32.67 1pag s TRP 237 CO 0.42 -0.05 -0.11 0.42 -0.00 0.00 0.00 176.95 177.63 1pag s ILE 238 N 0.03 2.51 -0.05 5.86 1.09 -1.26 -0.23 121.20 129.15 1pag s ILE 238 Ca -0.00 -1.07 0.01 0.00 -1.10 0.00 0.00 60.65 58.48 1pag s ILE 238 Cb -0.05 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 39.08 1pag s ILE 238 CO -0.00 0.29 -0.03 0.68 -0.10 0.00 0.00 174.94 175.77 1pag s VAL 239 N 1.28 3.98 -0.05 2.92 -7.23 0.05 -4.95 120.40 116.40 1pag s VAL 239 Ca 0.00 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.75 1pag s VAL 239 Cb -0.16 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.02 1pag s VAL 239 CO -0.07 0.52 0.04 0.18 -0.31 0.00 0.00 175.10 175.46 1pag n LEU 240 N 1.92 0.00 -4.44 1.32 4.77 -1.26 -0.86 117.00 118.44 1pag n LEU 240 Ca -0.17 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.58 1pag n LEU 240 Cb 0.53 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.65 1pag n LEU 240 CO 0.29 0.13 -0.44 -0.13 -1.33 0.00 0.00 177.39 175.91 1pag s ARG 241 N -2.19 1.59 0.31 3.23 0.52 -1.26 -1.42 118.95 119.73 1pag s ARG 241 Ca -0.03 -1.75 0.12 0.00 -0.52 0.00 0.00 55.73 53.55 1pag s ARG 241 Cb 0.02 -1.51 0.48 0.00 0.52 0.00 0.00 34.95 34.46 1pag s ARG 241 CO 0.25 0.22 1.68 -0.39 0.02 0.00 0.00 175.30 177.08 1pag h VAL 242 N 2.31 1.34 -0.39 3.52 -1.51 -1.38 -2.51 116.25 117.63 1pag h VAL 242 Ca -0.40 -1.86 0.11 0.00 -1.23 0.00 0.00 66.70 63.33 1pag h VAL 242 Cb 1.24 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 32.40 1pag h VAL 242 CO 0.63 0.52 0.34 0.44 -1.23 0.00 0.00 177.57 178.27 1pag h ASP 243 N 0.00 0.00 -0.20 4.19 3.32 -1.97 0.10 116.42 121.86 1pag h ASP 243 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1pag h ASP 243 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1pag h ASP 243 CO 0.07 0.00 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.70 1pag h GLU 244 N 0.00 0.73 0.01 3.56 5.08 -1.85 -3.32 114.58 118.79 1pag h GLU 244 Ca 0.19 -0.52 -0.33 0.00 -1.00 0.00 0.00 59.36 57.70 1pag h GLU 244 Cb 0.86 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1pag h GLU 244 CO -0.00 1.14 -1.98 1.51 -1.00 0.00 0.00 179.01 178.68 1pag n ILE 245 N -4.09 1.55 -0.24 3.13 0.13 -1.04 -4.58 119.36 114.22 1pag n ILE 245 Ca -0.06 -0.80 0.22 0.00 -1.10 0.00 0.00 62.75 61.01 1pag n ILE 245 Cb 0.63 -0.91 0.56 0.00 -0.84 0.00 0.00 39.64 39.08 1pag n ILE 245 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1pag h LYS 246 N 0.00 0.30 -0.62 9.51 3.64 -0.91 -1.44 116.57 127.06 1pag h LYS 246 Ca -0.39 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.05 1pag h LYS 246 Cb 2.09 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1pag h LYS 246 CO 0.06 0.20 0.42 -1.00 -2.27 0.00 0.00 179.45 176.85 1pag h PRO 247 N 0.31 0.50 -0.00 1.90 0.13 -1.81 -2.96 132.00 130.07 1pag h PRO 247 Ca 0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1pag h PRO 247 Cb 1.36 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pag h PRO 247 CO -0.16 0.33 -0.14 -0.25 -0.23 0.00 0.00 178.00 177.55 1pag n ASP 248 N -4.48 0.15 -4.25 1.44 8.00 -0.54 -4.67 116.55 112.21 1pag n ASP 248 Ca 0.10 0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.49 1pag n ASP 248 Cb 0.32 -0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 1pag n ASP 248 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pag s VAL 249 N -2.96 2.75 -0.17 2.53 1.01 -1.12 -1.20 120.40 121.24 1pag s VAL 249 Ca 0.14 -0.72 0.19 0.00 0.00 0.00 0.00 61.98 61.59 1pag s VAL 249 Cb 0.19 -2.19 -0.27 0.00 0.00 0.00 0.00 36.38 34.11 1pag s VAL 249 CO 0.57 0.49 0.14 0.00 0.00 0.00 0.00 175.10 176.31 1pag n ALA 250 N 4.41 1.73 -3.33 5.51 0.00 0.49 -4.78 120.51 124.55 1pag n ALA 250 Ca -0.19 -1.19 -0.16 0.00 0.00 0.00 0.00 53.44 51.90 1pag n ALA 250 Cb 0.51 -0.28 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 1pag n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pag s LEU 251 N -5.31 1.53 0.10 0.00 1.43 -0.59 -4.20 118.68 111.64 1pag s LEU 251 Ca -0.10 -0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1pag s LEU 251 Cb 0.07 -0.21 -0.06 0.00 0.03 0.00 0.00 46.19 46.02 1pag s LEU 251 CO 0.84 -0.04 0.47 -0.76 0.23 0.00 0.00 176.35 177.09 1pag s LEU 252 N 0.55 4.36 0.48 1.79 1.43 -0.39 -4.86 118.68 122.04 1pag s LEU 252 Ca -0.05 0.94 -0.19 0.00 -1.03 0.00 0.00 54.13 53.80 1pag s LEU 252 Cb -0.09 -3.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.98 1pag s LEU 252 CO -0.01 0.16 0.98 0.21 0.23 0.00 0.00 176.35 177.92 1pag s ASN 253 N -1.66 6.66 0.21 2.29 3.04 -1.26 -0.42 114.94 123.80 1pag s ASN 253 Ca 0.34 1.68 -0.30 0.00 0.04 0.00 0.00 52.86 54.61 1pag s ASN 253 Cb -0.15 -2.53 -0.10 0.00 -1.54 0.00 0.00 41.25 36.94 1pag s ASN 253 CO 0.18 -0.56 1.45 -0.47 -3.04 0.00 0.00 177.10 174.66 1pag s TYR 254 N -2.36 3.08 -0.11 0.43 5.04 -1.26 -4.60 117.35 117.56 1pag s TYR 254 Ca 0.61 0.95 -0.04 0.00 -2.44 0.00 0.00 57.07 56.16 1pag s TYR 254 Cb -0.11 -3.81 0.06 0.00 0.35 0.00 0.00 41.96 38.45 1pag s TYR 254 CO 0.23 -2.72 0.16 0.08 -1.34 0.00 0.00 175.55 171.96 1pag s VAL 255 N 0.37 -0.25 0.87 3.14 1.01 -1.26 -5.03 120.40 119.25 1pag s VAL 255 Ca 0.62 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.71 1pag s VAL 255 Cb -0.41 -0.38 0.11 0.00 0.00 0.00 0.00 36.38 35.70 1pag s VAL 255 CO 0.39 0.05 1.10 -0.83 0.00 0.00 0.00 175.10 175.80 1pag s GLY 256 N 2.28 1.61 0.00 4.51 0.00 -1.26 -4.96 107.32 109.50 1pag s GLY 256 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1pag s GLY 256 CO -0.07 0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.92 1pag n GLY 257 N -1.62 1.54 3.89 0.20 0.00 -1.26 -5.03 105.19 102.92 1pag n GLY 257 Ca 0.07 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 1pag n GLY 257 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pag s SER 258 N 0.00 6.26 0.18 1.61 1.04 -1.26 -5.09 113.70 116.44 1pag s SER 258 Ca 0.00 1.15 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 1pag s SER 258 Cb 0.00 -2.35 0.03 0.00 0.10 0.00 0.00 66.02 63.81 1pag s SER 258 CO 0.00 -0.69 0.51 0.00 0.98 0.00 0.00 173.24 174.03 1pag s GLN 260 N -3.84 3.61 0.08 0.00 0.74 -1.26 -4.89 119.66 114.09 1pag s GLN 260 Ca 0.07 1.23 -0.25 0.00 0.05 0.00 0.00 55.36 56.45 1pag s GLN 260 Cb -0.00 -4.05 -0.11 0.00 1.10 0.00 0.00 33.01 29.95 1pag s GLN 260 CO -0.06 -1.52 1.41 1.15 -0.55 0.00 0.00 175.29 175.72 1pag h THR 261 N 6.42 0.00 0.00 -0.34 2.02 -1.94 0.23 112.91 119.30 1pag h THR 261 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1pag h THR 261 Cb 1.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1pag h THR 261 CO 1.05 0.00 0.00 0.35 0.37 0.00 0.00 175.52 177.29