#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uug s THR 6 N 0.00 0.86 0.25 1.47 -4.23 -1.26 -3.60 115.64 109.13 1uug s THR 6 Ca 0.00 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 1uug s THR 6 Cb 0.00 -2.23 0.22 0.00 1.34 0.00 0.00 72.50 71.83 1uug s THR 6 CO 0.00 -0.40 1.85 -0.50 -0.54 0.00 0.00 174.62 175.03 1uug h TRP 7 N 2.58 1.00 -0.76 3.99 4.06 -1.95 -1.92 115.95 122.96 1uug h TRP 7 Ca -0.37 0.03 0.08 0.00 2.06 0.00 0.00 58.89 60.69 1uug h TRP 7 Cb 1.21 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 29.00 1uug h TRP 7 CO 0.56 0.50 0.50 1.25 -3.56 0.00 0.00 178.44 177.68 1uug h HIS 8 N 0.98 0.76 0.10 0.49 2.76 -1.96 0.22 115.15 118.50 1uug h HIS 8 Ca 0.39 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1uug h HIS 8 Cb 0.21 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1uug h HIS 8 CO -0.03 0.37 -0.05 -0.44 -1.30 0.00 0.00 177.93 176.49 1uug h ASP 9 N 0.73 -0.11 1.32 3.26 3.32 -1.76 -3.01 116.42 120.17 1uug h ASP 9 Ca 0.34 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1uug h ASP 9 Cb 0.38 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1uug h ASP 9 CO -0.12 0.33 -0.32 -0.37 -1.72 0.00 0.00 179.24 177.04 1uug h VAL 10 N -0.58 0.62 -0.09 -1.35 -1.51 -1.25 -3.27 116.25 108.82 1uug h VAL 10 Ca -0.01 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 1uug h VAL 10 Cb 0.47 2.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1uug h VAL 10 CO 0.02 0.31 0.00 0.18 -1.23 0.00 0.00 177.57 176.86 1uug n LEU 11 N -3.28 2.98 -0.22 4.19 4.77 0.75 -4.60 117.00 121.59 1uug n LEU 11 Ca 0.01 -1.05 0.02 0.00 -0.03 0.00 0.00 56.01 54.96 1uug n LEU 11 Cb 0.58 -0.04 0.11 0.00 -2.33 0.00 0.00 43.42 41.74 1uug n LEU 11 CO 0.37 0.52 0.82 0.00 -1.33 0.00 0.00 177.39 177.78 1uug h ALA 12 N 4.65 0.63 -0.10 -1.18 0.00 -1.58 -2.14 119.26 119.55 1uug h ALA 12 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1uug h ALA 12 Cb 0.96 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1uug h ALA 12 CO 0.00 -0.40 -0.50 1.49 0.00 0.00 0.00 179.25 179.84 1uug h GLU 13 N 0.11 0.51 -0.89 0.00 4.81 -1.86 -3.24 114.58 114.02 1uug h GLU 13 Ca 0.34 -0.42 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1uug h GLU 13 Cb 0.56 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.95 1uug h GLU 13 CO -0.57 1.05 0.52 0.93 -0.73 0.00 0.00 179.01 180.22 1uug h GLU 14 N 0.10 0.81 0.00 1.92 4.39 -1.79 -1.13 114.58 118.89 1uug h GLU 14 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1uug h GLU 14 Cb 1.15 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1uug h GLU 14 CO 0.10 0.54 0.03 1.63 -1.16 0.00 0.00 179.01 180.15 1uug n LYS 15 N -4.72 0.00 -0.01 2.33 5.02 -0.83 -1.22 118.16 118.73 1uug n LYS 15 Ca 0.16 0.38 0.03 0.00 -2.02 0.00 0.00 58.31 56.87 1uug n LYS 15 Cb 0.33 -1.53 0.04 0.00 -0.02 0.00 0.00 35.03 33.85 1uug n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uug n GLN 16 N -1.38 0.25 -2.12 1.97 6.02 -0.43 -4.73 117.38 116.97 1uug n GLN 16 Ca 0.00 -1.00 -0.41 0.00 -0.01 0.00 0.00 57.00 55.58 1uug n GLN 16 Cb 0.03 -1.14 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 1uug n GLN 16 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1uug s GLN 17 N -0.62 4.34 0.26 -1.09 -1.52 -0.36 -4.90 119.66 115.77 1uug s GLN 17 Ca 0.09 2.19 -0.03 0.00 -1.95 0.00 0.00 55.36 55.66 1uug s GLN 17 Cb 0.06 -3.12 0.54 0.00 -0.22 0.00 0.00 33.01 30.27 1uug s GLN 17 CO 0.09 -0.27 1.67 -1.35 -0.25 0.00 0.00 175.29 175.18 1uug h PRO 18 N 4.41 0.23 -0.63 2.91 0.11 -1.95 -1.35 132.00 135.73 1uug h PRO 18 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1uug h PRO 18 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1uug h PRO 18 CO 0.72 0.15 0.35 0.10 -0.21 0.00 0.00 178.00 179.12 1uug h TYR 19 N 0.24 0.85 -0.05 0.65 -0.00 -1.95 -0.15 116.97 116.56 1uug h TYR 19 Ca 0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 58.73 59.13 1uug h TYR 19 Cb 0.83 -0.28 0.00 0.00 0.00 0.00 0.00 36.73 37.29 1uug h TYR 19 CO -0.28 0.59 -0.18 0.35 -0.00 0.00 0.00 178.16 178.64 1uug h PHE 20 N 0.88 0.28 -0.55 0.10 3.57 -1.57 -2.31 116.94 117.33 1uug h PHE 20 Ca 0.23 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1uug h PHE 20 Cb 0.01 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1uug h PHE 20 CO 0.00 0.80 0.27 -0.07 -2.23 0.00 0.00 178.31 177.08 1uug h LEU 21 N -0.32 0.70 -0.82 0.59 4.07 -1.15 -2.18 115.31 116.18 1uug h LEU 21 Ca -0.01 -0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 1uug h LEU 21 Cb 0.81 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1uug h LEU 21 CO 0.04 0.59 -0.20 0.78 -1.08 0.00 0.00 178.44 178.57 1uug h ASN 22 N 0.78 0.00 -0.18 -0.43 -0.26 -1.03 -1.97 115.58 112.50 1uug h ASN 22 Ca 0.19 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.83 1uug h ASN 22 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1uug h ASN 22 CO -0.03 0.20 -0.31 0.74 -1.06 0.00 0.00 177.43 176.97 1uug h THR 23 N 0.00 1.34 -0.72 2.81 2.02 -0.81 -1.89 112.91 115.67 1uug h THR 23 Ca -0.00 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.60 1uug h THR 23 Cb 0.85 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1uug h THR 23 CO 0.03 0.47 0.30 -0.07 0.37 0.00 0.00 175.52 176.62 1uug h LEU 24 N 0.18 0.96 -0.22 2.58 4.07 -1.39 -2.71 115.31 118.77 1uug h LEU 24 Ca 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1uug h LEU 24 Cb 0.90 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1uug h LEU 24 CO 0.07 0.84 0.08 -0.61 -1.08 0.00 0.00 178.44 177.74 1uug h GLN 25 N 1.03 0.33 -0.82 1.13 5.75 -1.25 -1.47 115.11 119.82 1uug h GLN 25 Ca 0.24 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1uug h GLN 25 Cb 0.17 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1uug h GLN 25 CO -0.02 0.40 0.44 0.00 -2.65 0.00 0.00 178.83 177.00 1uug h THR 26 N 0.19 1.24 -0.21 2.39 1.03 -1.19 0.13 112.91 116.50 1uug h THR 26 Ca 0.07 -0.62 -0.04 0.00 -0.01 0.00 0.00 66.41 65.81 1uug h THR 26 Cb 0.20 0.14 -0.01 0.00 -1.07 0.00 0.00 68.15 67.42 1uug h THR 26 CO -0.00 0.28 -0.03 0.58 -0.01 0.00 0.00 175.52 176.33 1uug h VAL 27 N 1.15 1.28 -0.70 0.00 2.07 -1.38 -1.45 116.25 117.21 1uug h VAL 27 Ca 0.29 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1uug h VAL 27 Cb 0.04 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1uug h VAL 27 CO -0.04 0.30 0.46 0.00 0.02 0.00 0.00 177.57 178.31 1uug h ALA 28 N 0.76 0.89 -0.84 1.67 0.00 -0.86 -0.65 119.26 120.24 1uug h ALA 28 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1uug h ALA 28 Cb 0.47 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1uug h ALA 28 CO 0.02 0.30 0.42 0.77 0.00 0.00 0.00 179.25 180.76 1uug h SER 29 N 0.94 1.09 -0.40 0.00 0.02 -0.60 -1.52 113.55 113.08 1uug h SER 29 Ca 0.26 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1uug h SER 29 Cb -0.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1uug h SER 29 CO -0.06 0.90 -0.10 -0.33 -1.14 0.00 0.00 176.83 176.10 1uug h GLU 30 N 1.19 0.77 -0.44 3.45 5.08 -0.60 -2.16 114.58 121.87 1uug h GLU 30 Ca 0.29 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uug h GLU 30 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1uug h GLU 30 CO -0.04 0.90 0.29 0.00 -1.00 0.00 0.00 179.01 179.16 1uug h ARG 31 N 0.58 0.58 -0.25 2.33 3.08 -0.96 -1.83 114.38 117.92 1uug h ARG 31 Ca 0.10 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1uug h ARG 31 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1uug h ARG 31 CO 0.04 0.39 0.15 1.96 -1.07 0.00 0.00 179.97 181.44 1uug h GLN 32 N 0.60 0.33 -0.13 0.04 4.20 -1.15 -2.12 115.11 116.87 1uug h GLN 32 Ca 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1uug h GLN 32 Cb -0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1uug h GLN 32 CO -0.03 0.24 0.00 -1.13 -0.67 0.00 0.00 178.83 177.23 1uug n SER 33 N -4.48 1.18 0.00 1.46 3.41 -0.82 -4.91 113.62 109.46 1uug n SER 33 Ca 0.01 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 1uug n SER 33 Cb 0.09 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1uug n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uug n GLY 34 N 1.01 0.79 3.69 5.00 0.00 -0.80 -5.09 105.19 109.80 1uug n GLY 34 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1uug n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uug s VAL 35 N -2.00 4.90 -0.14 1.61 1.01 -0.72 -5.01 120.40 120.05 1uug s VAL 35 Ca 0.00 1.71 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1uug s VAL 35 Cb 0.00 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1uug s VAL 35 CO 0.00 0.09 1.02 -0.89 0.00 0.00 0.00 175.10 175.32 1uug s THR 36 N 1.66 4.75 -0.02 3.92 2.01 -1.26 -4.15 115.64 122.54 1uug s THR 36 Ca 0.41 2.04 0.06 0.00 0.31 0.00 0.00 61.69 64.52 1uug s THR 36 Cb -0.18 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.01 1uug s THR 36 CO 0.17 -0.04 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.21 1uug s ILE 37 N 2.33 1.71 0.13 1.82 1.01 -1.26 -1.10 121.20 125.84 1uug s ILE 37 Ca 0.47 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1uug s ILE 37 Cb -0.17 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1uug s ILE 37 CO 0.15 0.48 -0.16 -0.31 0.00 0.00 0.00 174.94 175.11 1uug s TYR 38 N -0.44 2.57 1.20 3.97 2.02 -0.67 -4.32 117.35 121.68 1uug s TYR 38 Ca 0.07 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.33 1uug s TYR 38 Cb -0.09 -1.34 0.29 0.00 -0.40 0.00 0.00 41.96 40.42 1uug s TYR 38 CO -0.00 0.42 1.10 -1.25 -1.57 0.00 0.00 175.55 174.25 1uug s PRO 39 N -2.31 -1.23 0.38 -1.71 0.04 -1.26 -2.05 135.00 126.86 1uug s PRO 39 Ca 0.20 -0.03 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 1uug s PRO 39 Cb -0.10 -1.59 -0.11 0.00 0.04 0.00 0.00 34.50 32.73 1uug s PRO 39 CO 0.12 -3.72 1.04 -2.30 0.04 0.00 0.00 177.00 172.18 1uug n PRO 40 N -4.77 1.45 -0.35 0.56 -0.02 -1.26 -4.78 135.00 125.83 1uug n PRO 40 Ca 0.13 0.52 0.29 0.00 -2.02 0.00 0.00 63.50 62.42 1uug n PRO 40 Cb 0.59 -2.04 0.61 0.00 -0.02 0.00 0.00 33.50 32.65 1uug n PRO 40 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1uug h GLN 41 N 1.76 0.21 0.00 -0.52 5.75 -1.98 0.14 115.11 120.47 1uug h GLN 41 Ca -0.44 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1uug h GLN 41 Cb 1.33 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1uug h GLN 41 CO 0.58 0.14 0.00 1.57 -2.65 0.00 0.00 178.83 178.47 1uug h LYS 42 N 0.21 0.00 0.00 1.69 2.10 -2.03 -3.22 116.57 115.33 1uug h LYS 42 Ca 0.63 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 59.16 1uug h LYS 42 Cb 1.96 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.27 1uug h LYS 42 CO -0.22 0.00 -1.56 -0.25 -2.00 0.00 0.00 179.45 175.42 1uug n ASP 43 N -3.09 0.57 -0.26 7.07 8.00 0.47 -4.61 116.55 124.70 1uug n ASP 43 Ca 0.01 0.24 0.21 0.00 0.71 0.00 0.00 54.79 55.96 1uug n ASP 43 Cb 0.35 0.72 0.39 0.00 -0.02 0.00 0.00 41.12 42.56 1uug n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1uug n VAL 44 N -2.69 -0.34 -1.24 2.53 0.31 -1.15 -0.71 118.33 115.04 1uug n VAL 44 Ca -0.09 1.68 -0.06 0.00 -0.01 0.00 0.00 64.34 65.86 1uug n VAL 44 Cb 0.75 -2.63 0.23 0.00 -0.91 0.00 0.00 33.84 31.28 1uug n VAL 44 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1uug n PHE 45 N -4.93 1.75 0.23 3.52 3.72 -1.26 -4.70 117.46 115.78 1uug n PHE 45 Ca 0.26 -1.44 0.11 0.00 -0.05 0.00 0.00 57.45 56.33 1uug n PHE 45 Cb 0.89 -0.59 0.69 0.00 -0.94 0.00 0.00 39.48 39.53 1uug n PHE 45 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1uug h ASN 46 N 1.48 0.00 -0.04 4.37 2.35 -1.10 -1.77 115.58 120.86 1uug h ASN 46 Ca 0.28 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1uug h ASN 46 Cb 2.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.37 1uug h ASN 46 CO 0.58 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 176.33 1uug h ALA 47 N 1.95 1.69 0.15 -0.83 0.00 -1.83 -1.95 119.26 118.45 1uug h ALA 47 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1uug h ALA 47 Cb 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1uug h ALA 47 CO -0.00 0.23 -1.39 0.74 0.00 0.00 0.00 179.25 178.84 1uug h PHE 48 N 0.20 0.59 -0.50 0.00 0.04 -1.56 -2.91 116.94 112.80 1uug h PHE 48 Ca 0.05 -0.43 -0.07 0.00 2.80 0.00 0.00 57.97 60.31 1uug h PHE 48 Cb 0.19 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1uug h PHE 48 CO 0.00 1.38 0.04 0.00 -0.60 0.00 0.00 178.31 179.13 1uug h ARG 49 N 0.09 0.86 0.00 1.51 3.08 -1.34 -3.19 114.38 115.39 1uug h ARG 49 Ca -0.19 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1uug h ARG 49 Cb 2.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.99 1uug h ARG 49 CO 0.21 0.88 -0.38 0.74 -1.07 0.00 0.00 179.97 180.35 1uug h PHE 50 N 0.73 0.00 -3.09 3.04 0.04 -1.49 -3.44 116.94 112.74 1uug h PHE 50 Ca 0.15 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.37 1uug h PHE 50 Cb 0.46 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.21 1uug h PHE 50 CO 0.03 0.00 -0.76 0.99 -0.60 0.00 0.00 178.31 177.97 1uug s THR 51 N -3.25 0.49 0.60 -1.55 2.01 -1.10 -4.23 115.64 108.61 1uug s THR 51 Ca 0.05 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 1uug s THR 51 Cb 0.08 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1uug s THR 51 CO 0.71 -0.54 1.06 -1.61 -0.69 0.00 0.00 174.62 173.55 1uug s GLU 52 N 1.83 3.26 0.27 4.92 0.41 -1.26 -4.55 118.70 123.59 1uug s GLU 52 Ca 0.06 1.19 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 1uug s GLU 52 Cb -0.17 -2.03 0.59 0.00 -1.78 0.00 0.00 34.13 30.75 1uug s GLU 52 CO -0.23 -0.85 1.72 1.25 -0.49 0.00 0.00 175.26 176.66 1uug h LEU 53 N 0.33 0.34 -0.63 1.80 6.46 -1.90 0.16 115.31 121.87 1uug h LEU 53 Ca -0.47 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 1uug h LEU 53 Cb 1.22 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1uug h LEU 53 CO 0.57 0.08 0.00 1.23 -0.62 0.00 0.00 178.44 179.70 1uug h GLY 54 N 0.46 0.00 -0.03 3.75 0.00 -1.93 -3.19 103.07 102.13 1uug h GLY 54 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1uug h GLY 54 CO -0.46 0.00 -0.79 1.22 0.00 0.00 0.00 176.54 176.51 1uug n ASP 55 N -2.68 1.12 -4.68 0.19 8.00 -0.01 -4.94 116.55 113.56 1uug n ASP 55 Ca 0.03 -0.98 -0.44 0.00 0.71 0.00 0.00 54.79 54.10 1uug n ASP 55 Cb 0.36 0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 42.17 1uug n ASP 55 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1uug n VAL 56 N -1.18 0.55 -0.01 2.53 0.31 -0.90 -4.30 118.33 115.32 1uug n VAL 56 Ca 0.06 -0.10 -0.02 0.00 -0.01 0.00 0.00 64.34 64.27 1uug n VAL 56 Cb 0.36 -2.08 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 1uug n VAL 56 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1uug n LYS 57 N 6.44 0.95 -3.91 5.55 5.02 0.60 -4.92 118.16 127.88 1uug n LYS 57 Ca 0.20 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.35 1uug n LYS 57 Cb 0.36 -1.06 -0.15 0.00 -0.02 0.00 0.00 35.03 34.15 1uug n LYS 57 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uug s VAL 58 N -2.06 0.12 -0.10 -0.18 1.01 -0.96 -2.01 120.40 116.22 1uug s VAL 58 Ca -0.03 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1uug s VAL 58 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 1uug s VAL 58 CO 0.08 0.09 -0.15 -0.69 0.00 0.00 0.00 175.10 174.43 1uug s VAL 59 N 0.60 2.92 -0.16 2.92 1.01 0.51 -0.21 120.40 128.00 1uug s VAL 59 Ca -0.06 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1uug s VAL 59 Cb -0.08 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.14 1uug s VAL 59 CO -0.01 0.55 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 1uug s ILE 60 N -0.02 1.41 0.06 2.22 1.01 -0.66 -1.18 121.20 124.04 1uug s ILE 60 Ca -0.04 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1uug s ILE 60 Cb -0.14 -1.43 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 1uug s ILE 60 CO 0.04 0.30 0.59 -0.76 0.00 0.00 0.00 174.94 175.11 1uug s LEU 61 N 1.53 4.50 0.00 2.97 1.43 -1.24 -2.51 118.68 125.36 1uug s LEU 61 Ca 0.02 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1uug s LEU 61 Cb -0.14 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1uug s LEU 61 CO -0.09 0.22 0.03 0.61 0.23 0.00 0.00 176.35 177.35 1uug n GLY 62 N 1.92 3.49 0.00 -3.19 0.00 0.29 -4.75 105.19 102.97 1uug n GLY 62 Ca -0.09 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.56 1uug n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uug n GLN 63 N -1.33 0.00 -4.43 1.61 6.02 -1.26 -1.98 117.38 116.01 1uug n GLN 63 Ca -0.20 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.58 1uug n GLN 63 Cb 0.66 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.81 1uug n GLN 63 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1uug s ASP 64 N -0.93 2.63 0.75 1.08 -4.77 -1.26 -1.08 116.67 113.09 1uug s ASP 64 Ca 0.00 -1.24 -0.11 0.00 -3.30 0.00 0.00 52.55 47.90 1uug s ASP 64 Cb 0.00 -0.14 0.04 0.00 -1.09 0.00 0.00 42.92 41.73 1uug s ASP 64 CO 0.00 -0.42 1.08 -2.16 0.70 0.00 0.00 175.17 174.37 1uug s PRO 65 N -3.78 2.47 0.39 2.11 0.04 -1.25 -4.98 135.00 130.00 1uug s PRO 65 Ca 0.31 0.96 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 1uug s PRO 65 Cb 0.05 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 1uug s PRO 65 CO 0.13 -1.43 1.38 0.66 0.04 0.00 0.00 177.00 177.77 1uug n TYR 66 N -3.35 2.58 -0.37 0.56 4.01 -1.26 -4.84 117.16 114.48 1uug n TYR 66 Ca 0.08 0.49 0.11 0.00 -0.16 0.00 0.00 57.90 58.42 1uug n TYR 66 Cb 0.54 -2.46 0.31 0.00 -0.31 0.00 0.00 39.34 37.42 1uug n TYR 66 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1uug n HIS 67 N 0.18 0.96 -3.99 -0.72 1.44 -1.26 -4.48 115.22 107.35 1uug n HIS 67 Ca 0.04 -0.51 -0.22 0.00 -2.01 0.00 0.00 57.72 55.02 1uug n HIS 67 Cb 0.39 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 1uug n HIS 67 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1uug s GLY 68 N -1.00 1.33 0.15 -1.39 0.00 -1.26 -1.84 107.32 103.32 1uug s GLY 68 Ca 0.47 -1.22 -0.34 0.00 0.00 0.00 0.00 44.72 43.62 1uug s GLY 68 CO 0.31 -1.24 1.55 -1.05 0.00 0.00 0.00 173.10 172.67 1uug n PRO 69 N -1.20 2.00 -1.17 2.90 -0.02 -1.26 -2.93 135.00 133.33 1uug n PRO 69 Ca -0.08 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1uug n PRO 69 Cb 0.57 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1uug n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uug n GLY 70 N 3.30 0.61 0.02 -1.23 0.00 -1.26 -4.90 105.19 101.72 1uug n GLY 70 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1uug n GLY 70 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1uug h GLN 71 N 0.08 0.00 -7.04 1.61 4.20 -1.88 -3.38 115.11 108.69 1uug h GLN 71 Ca -0.12 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.06 1uug h GLN 71 Cb 0.98 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.86 1uug h GLN 71 CO 0.17 0.00 0.52 0.00 -0.67 0.00 0.00 178.83 178.86 1uug s ALA 72 N -2.89 2.81 0.00 3.87 0.00 -1.26 -2.78 121.76 121.52 1uug s ALA 72 Ca -0.02 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1uug s ALA 72 Cb 0.00 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.78 1uug s ALA 72 CO 0.03 -1.03 0.94 -2.39 0.00 0.00 0.00 175.76 173.31 1uug n HIS 73 N -0.96 0.00 0.00 0.00 1.44 -1.26 -4.77 115.22 109.67 1uug n HIS 73 Ca 0.10 -0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.56 1uug n HIS 73 Cb 0.47 0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.69 1uug n HIS 73 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1uug n GLY 74 N 0.14 0.12 3.50 -1.39 0.00 -1.26 -4.78 105.19 101.52 1uug n GLY 74 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1uug n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uug s LEU 75 N 0.00 2.75 0.37 0.99 1.43 -1.26 -3.43 118.68 119.53 1uug s LEU 75 Ca 0.00 -0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 1uug s LEU 75 Cb 0.00 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 1uug s LEU 75 CO 0.00 0.16 1.11 0.00 0.23 0.00 0.00 176.35 177.84 1uug s ALA 76 N -1.30 3.18 0.00 4.21 0.00 -0.89 -3.93 121.76 123.02 1uug s ALA 76 Ca 0.20 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1uug s ALA 76 Cb -0.10 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1uug s ALA 76 CO 0.11 -0.33 0.00 1.19 0.00 0.00 0.00 175.76 176.74 1uug n PHE 77 N 0.25 0.00 -2.24 0.00 3.72 -1.26 -4.93 117.46 112.99 1uug n PHE 77 Ca 0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.07 1uug n PHE 77 Cb 0.47 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1uug n PHE 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uug s SER 78 N 0.00 5.89 0.15 4.37 0.15 -1.25 -4.86 113.70 118.14 1uug s SER 78 Ca 0.00 2.25 0.05 0.00 0.70 0.00 0.00 55.95 58.95 1uug s SER 78 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1uug s SER 78 CO 0.00 -1.11 -0.11 0.68 1.20 0.00 0.00 173.24 173.90 1uug s VAL 79 N -1.65 1.27 0.68 4.45 -7.23 -0.38 -4.59 120.40 112.94 1uug s VAL 79 Ca 0.69 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 1uug s VAL 79 Cb -0.27 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 34.90 1uug s VAL 79 CO 0.31 -0.66 1.12 -0.13 -0.31 0.00 0.00 175.10 175.44 1uug s ARG 80 N -3.48 2.67 0.34 4.82 0.52 -1.12 -2.88 118.95 119.83 1uug s ARG 80 Ca 0.15 1.43 -0.29 0.00 -0.52 0.00 0.00 55.73 56.51 1uug s ARG 80 Cb 0.00 -1.93 -0.12 0.00 0.52 0.00 0.00 34.95 33.43 1uug s ARG 80 CO 0.02 -1.36 1.44 -2.30 0.02 0.00 0.00 175.30 173.12 1uug n PRO 81 N -2.52 2.48 0.00 3.54 -0.02 -1.26 -2.30 135.00 134.92 1uug n PRO 81 Ca 0.11 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1uug n PRO 81 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1uug n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uug n GLY 82 N 0.93 0.88 3.87 -1.23 0.00 -1.26 -5.05 105.19 103.33 1uug n GLY 82 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1uug n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uug s ILE 83 N -2.25 5.25 0.37 -0.61 -1.09 -0.97 -5.06 121.20 116.84 1uug s ILE 83 Ca 0.00 0.36 -0.28 0.00 -2.23 0.00 0.00 60.65 58.50 1uug s ILE 83 Cb 0.00 -3.58 -0.11 0.00 -1.58 0.00 0.00 42.46 37.19 1uug s ILE 83 CO 0.00 0.44 1.51 0.00 -1.23 0.00 0.00 174.94 175.66 1uug s ALA 84 N -1.22 3.59 -0.13 9.38 0.00 -1.26 -4.60 121.76 127.51 1uug s ALA 84 Ca 0.25 1.60 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 1uug s ALA 84 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1uug s ALA 84 CO 0.14 -1.08 1.64 0.42 0.00 0.00 0.00 175.76 176.88 1uug s ILE 85 N -1.04 3.64 0.63 0.00 1.01 -1.26 -4.96 121.20 119.22 1uug s ILE 85 Ca 0.54 0.74 -0.17 0.00 0.00 0.00 0.00 60.65 61.76 1uug s ILE 85 Cb -0.47 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1uug s ILE 85 CO 0.63 -0.16 1.18 -2.84 0.00 0.00 0.00 174.94 173.75 1uug s PRO 86 N 4.37 2.78 0.20 2.79 0.02 -1.26 -4.76 135.00 139.15 1uug s PRO 86 Ca 0.73 1.69 -0.16 0.00 0.02 0.00 0.00 61.00 63.28 1uug s PRO 86 Cb -0.29 -1.92 0.20 0.00 0.02 0.00 0.00 34.50 32.51 1uug s PRO 86 CO 0.29 -1.33 1.61 -1.35 -0.33 0.00 0.00 177.00 175.89 1uug h PRO 87 N 0.45 -0.07 -0.40 5.54 0.11 -1.98 -0.83 132.00 134.82 1uug h PRO 87 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1uug h PRO 87 Cb 1.28 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1uug h PRO 87 CO 0.54 -0.05 0.22 0.77 -0.21 0.00 0.00 178.00 179.27 1uug h SER 88 N -0.07 0.50 -0.16 -2.05 0.02 -1.93 -1.78 113.55 108.09 1uug h SER 88 Ca 0.28 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1uug h SER 88 Cb 0.52 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1uug h SER 88 CO -0.68 0.44 -0.10 0.25 -1.14 0.00 0.00 176.83 175.60 1uug h LEU 89 N 0.52 0.48 -0.31 5.07 5.85 -1.76 -1.90 115.31 123.26 1uug h LEU 89 Ca 0.14 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1uug h LEU 89 Cb 0.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1uug h LEU 89 CO -0.02 0.63 0.17 0.25 -0.34 0.00 0.00 178.44 179.12 1uug h LEU 90 N 0.47 0.39 -1.81 2.25 5.85 -0.82 -0.90 115.31 120.73 1uug h LEU 90 Ca 0.09 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1uug h LEU 90 Cb 0.46 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1uug h LEU 90 CO 0.03 0.36 -0.10 0.78 -0.34 0.00 0.00 178.44 179.16 1uug h ASN 91 N 0.38 0.00 0.15 1.25 2.35 -0.88 -0.37 115.58 118.46 1uug h ASN 91 Ca 0.11 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1uug h ASN 91 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1uug h ASN 91 CO -0.02 0.10 -0.50 0.24 -1.65 0.00 0.00 177.43 175.61 1uug h MET 92 N 0.00 0.40 -0.38 0.81 2.86 -0.52 -2.48 114.93 115.62 1uug h MET 92 Ca -0.00 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.28 1uug h MET 92 Cb 0.18 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1uug h MET 92 CO 0.01 0.81 -0.27 1.88 1.06 0.00 0.00 176.91 180.40 1uug h TYR 93 N 0.32 0.91 -0.36 -0.22 0.05 0.22 -2.38 116.97 115.51 1uug h TYR 93 Ca 0.01 -0.23 -0.11 0.00 0.05 0.00 0.00 58.73 58.46 1uug h TYR 93 Cb 0.99 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.50 1uug h TYR 93 CO 0.03 0.97 -0.22 0.87 -1.05 0.00 0.00 178.16 178.76 1uug h LYS 94 N 0.68 0.69 -0.42 4.88 1.57 -1.18 -1.17 116.57 121.63 1uug h LYS 94 Ca 0.08 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1uug h LYS 94 Cb 0.80 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1uug h LYS 94 CO 0.07 0.86 -0.13 1.49 -0.57 0.00 0.00 179.45 181.16 1uug h GLU 95 N 0.61 0.77 -0.29 3.15 4.57 -1.33 -2.57 114.58 119.49 1uug h GLU 95 Ca 0.09 -0.27 -0.15 0.00 -1.18 0.00 0.00 59.36 57.85 1uug h GLU 95 Cb 0.70 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1uug h GLU 95 CO 0.05 0.87 -0.44 -0.07 -1.18 0.00 0.00 179.01 178.24 1uug h LEU 96 N 0.69 0.81 -1.06 1.64 3.38 -1.17 -2.80 115.31 116.80 1uug h LEU 96 Ca 0.11 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1uug h LEU 96 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1uug h LEU 96 CO 0.04 1.13 0.14 -0.33 0.09 0.00 0.00 178.44 179.51 1uug h GLU 97 N 0.60 0.81 0.00 1.13 5.08 -1.01 0.16 114.58 121.36 1uug h GLU 97 Ca 0.04 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1uug h GLU 97 Cb 1.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1uug h GLU 97 CO 0.09 0.73 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.84 1uug h ASN 98 N 0.79 0.00 0.00 1.42 -0.26 -1.43 -3.38 115.58 112.72 1uug h ASN 98 Ca 0.18 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1uug h ASN 98 Cb 0.27 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1uug h ASN 98 CO -0.00 0.01 -1.26 0.35 -1.06 0.00 0.00 177.43 175.47 1uug n THR 99 N -2.50 0.14 -3.71 2.81 -2.24 -1.02 -5.00 114.28 102.77 1uug n THR 99 Ca 0.05 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 1uug n THR 99 Cb 0.46 -0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.36 1uug n THR 99 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1uug s ILE 100 N -2.22 4.46 0.15 2.28 -1.09 0.54 -4.96 121.20 120.36 1uug s ILE 100 Ca -0.02 -0.27 -0.31 0.00 -2.23 0.00 0.00 60.65 57.82 1uug s ILE 100 Cb 0.02 -3.17 -0.11 0.00 -1.58 0.00 0.00 42.46 37.62 1uug s ILE 100 CO 0.19 0.22 1.80 -2.65 -1.23 0.00 0.00 174.94 173.27 1uug n PRO 101 N 4.95 2.79 -0.65 2.79 -0.02 -1.26 -2.15 135.00 141.45 1uug n PRO 101 Ca -0.15 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1uug n PRO 101 Cb 0.50 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1uug n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uug n GLY 102 N 4.15 1.18 3.69 -1.23 0.00 -1.26 -5.01 105.19 106.71 1uug n GLY 102 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1uug n GLY 102 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uug s PHE 103 N -3.44 3.00 -0.09 1.61 2.19 -0.92 -5.00 117.98 115.32 1uug s PHE 103 Ca 0.00 0.95 0.03 0.00 0.33 0.00 0.00 56.93 58.23 1uug s PHE 103 Cb 0.00 -3.60 -0.01 0.00 -1.31 0.00 0.00 43.02 38.10 1uug s PHE 103 CO 0.00 -2.13 -0.18 0.99 1.83 0.00 0.00 175.22 175.73 1uug s THR 104 N 2.14 2.64 -0.29 0.12 2.01 -1.26 -4.80 115.64 116.20 1uug s THR 104 Ca 0.62 -0.83 -0.34 0.00 0.31 0.00 0.00 61.69 61.45 1uug s THR 104 Cb -0.30 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.06 1uug s THR 104 CO 0.26 0.55 2.15 -1.14 -0.69 0.00 0.00 174.62 175.75 1uug n ARG 105 N 3.19 1.41 -0.96 4.92 3.00 -1.26 -4.94 116.66 122.01 1uug n ARG 105 Ca -0.18 0.41 -0.29 0.00 -0.00 0.00 0.00 57.85 57.79 1uug n ARG 105 Cb 0.52 -2.65 0.25 0.00 0.00 0.00 0.00 32.46 30.58 1uug n ARG 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1uug n PRO 106 N 8.06 -3.19 -0.51 -0.14 -0.04 -1.26 -4.99 135.00 132.93 1uug n PRO 106 Ca 0.36 -1.68 0.06 0.00 -0.04 0.00 0.00 63.50 62.20 1uug n PRO 106 Cb 0.28 -1.60 0.20 0.00 -0.04 0.00 0.00 33.50 32.34 1uug n PRO 106 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1uug n ASN 107 N -4.88 2.02 -3.68 3.54 2.04 -1.26 -5.01 115.26 108.03 1uug n ASN 107 Ca 0.15 -3.69 -0.10 0.00 -0.44 0.00 0.00 54.58 50.50 1uug n ASN 107 Cb 0.57 -0.52 -0.05 0.00 -2.53 0.00 0.00 39.78 37.25 1uug n ASN 107 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1uug s HIS 108 N -3.15 -0.14 -0.22 -2.53 -3.43 -1.26 -4.88 115.29 99.67 1uug s HIS 108 Ca 0.38 -0.19 0.13 0.00 -0.80 0.00 0.00 55.06 54.58 1uug s HIS 108 Cb 0.35 0.27 0.49 0.00 -1.43 0.00 0.00 32.58 32.26 1uug s HIS 108 CO -0.03 -0.75 1.40 0.41 -2.00 0.00 0.00 174.74 173.76 1uug n GLY 109 N -0.25 4.57 3.64 -1.38 0.00 -1.26 -4.98 105.19 105.53 1uug n GLY 109 Ca -0.14 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1uug n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uug s TYR 110 N -3.04 3.26 -0.23 1.61 5.04 -1.14 -1.25 117.35 121.60 1uug s TYR 110 Ca 0.42 1.16 0.13 0.00 -2.44 0.00 0.00 57.07 56.34 1uug s TYR 110 Cb 0.36 -3.28 0.53 0.00 0.35 0.00 0.00 41.96 39.92 1uug s TYR 110 CO 0.03 -0.54 1.46 1.28 -1.34 0.00 0.00 175.55 176.44 1uug n LEU 111 N 6.32 4.09 -0.13 6.97 4.77 -1.26 -4.62 117.00 133.14 1uug n LEU 111 Ca 0.08 -3.32 0.09 0.00 -0.03 0.00 0.00 56.01 52.83 1uug n LEU 111 Cb 0.47 -0.59 0.43 0.00 -2.33 0.00 0.00 43.42 41.40 1uug n LEU 111 CO 0.52 0.90 1.20 -0.08 -1.33 0.00 0.00 177.39 178.60 1uug h GLU 112 N 1.46 0.56 0.00 3.23 4.81 -1.92 -0.88 114.58 121.83 1uug h GLU 112 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1uug h GLU 112 Cb 1.59 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 1uug h GLU 112 CO 0.32 0.37 -0.05 0.66 -0.73 0.00 0.00 179.01 179.58 1uug h SER 113 N 0.57 0.00 -0.15 1.04 4.64 -1.85 -1.02 113.55 116.79 1uug h SER 113 Ca 0.30 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1uug h SER 113 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1uug h SER 113 CO -0.10 0.05 -0.12 -0.50 -0.87 0.00 0.00 176.83 175.29 1uug h TRP 114 N 0.00 0.40 -0.92 4.77 4.06 -1.50 -2.94 115.95 119.82 1uug h TRP 114 Ca -0.00 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 1uug h TRP 114 Cb 0.09 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 1uug h TRP 114 CO 0.00 0.71 0.54 0.00 -3.56 0.00 0.00 178.44 176.13 1uug h ALA 115 N 0.63 1.23 0.00 1.49 0.00 -1.31 -1.52 119.26 119.78 1uug h ALA 115 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uug h ALA 115 Cb 0.63 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uug h ALA 115 CO 0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1uug h ARG 116 N 1.27 0.00 -0.02 0.00 2.47 -1.16 -2.29 114.38 114.64 1uug h ARG 116 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1uug h ARG 116 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1uug h ARG 116 CO -0.06 0.00 -0.03 1.04 0.56 0.00 0.00 179.97 181.48 1uug n GLN 117 N -2.92 1.92 0.00 0.04 6.02 -0.62 -4.94 117.38 116.89 1uug n GLN 117 Ca -0.01 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1uug n GLN 117 Cb 0.19 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1uug n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uug n GLY 118 N 1.27 1.14 3.52 1.08 0.00 -0.86 -4.83 105.19 106.52 1uug n GLY 118 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1uug n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uug s VAL 119 N -2.00 4.86 -0.48 1.61 1.01 -0.93 -0.29 120.40 124.19 1uug s VAL 119 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 1uug s VAL 119 Cb 0.00 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1uug s VAL 119 CO 0.00 -0.54 0.94 -0.22 0.00 0.00 0.00 175.10 175.28 1uug s LEU 120 N 2.74 3.99 -0.97 3.92 0.20 0.71 -3.78 118.68 125.49 1uug s LEU 120 Ca 0.22 0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.98 1uug s LEU 120 Cb -0.14 -3.16 0.22 0.00 -0.43 0.00 0.00 46.19 42.67 1uug s LEU 120 CO 0.18 -1.09 1.00 -0.76 -0.29 0.00 0.00 176.35 175.39 1uug s LEU 121 N 3.83 6.19 -0.23 -0.68 1.43 -1.26 -1.65 118.68 126.31 1uug s LEU 121 Ca 0.37 -2.90 -0.09 0.00 -1.03 0.00 0.00 54.13 50.47 1uug s LEU 121 Cb -0.10 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1uug s LEU 121 CO 0.26 -0.58 0.12 -0.22 0.23 0.00 0.00 176.35 176.16 1uug s LEU 122 N 0.27 3.94 0.23 1.79 2.96 -1.04 -2.09 118.68 124.74 1uug s LEU 122 Ca 0.27 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.12 1uug s LEU 122 Cb -0.08 -2.04 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 1uug s LEU 122 CO -0.08 0.08 0.59 0.20 -1.32 0.00 0.00 176.35 175.83 1uug s ASN 123 N 0.94 6.72 0.29 3.68 0.01 -1.26 -0.55 114.94 124.77 1uug s ASN 123 Ca 0.06 1.04 0.15 0.00 -0.71 0.00 0.00 52.86 53.40 1uug s ASN 123 Cb -0.13 -2.28 0.29 0.00 0.41 0.00 0.00 41.25 39.54 1uug s ASN 123 CO 0.03 -0.05 1.55 0.71 -1.51 0.00 0.00 177.10 177.82 1uug h THR 124 N 2.21 1.06 -3.28 1.60 1.35 -0.45 -3.42 112.91 111.98 1uug h THR 124 Ca -0.47 -2.14 -0.62 0.00 -0.55 0.00 0.00 66.41 62.63 1uug h THR 124 Cb 1.18 2.28 -0.34 0.00 -1.73 0.00 0.00 68.15 69.53 1uug h THR 124 CO 0.67 0.53 -0.85 -0.69 -0.25 0.00 0.00 175.52 174.94 1uug s VAL 125 N -3.23 1.72 -1.97 6.82 1.01 -0.30 -3.81 120.40 120.65 1uug s VAL 125 Ca 0.01 -0.79 0.27 0.00 0.00 0.00 0.00 61.98 61.47 1uug s VAL 125 Cb 0.10 -1.54 0.32 0.00 0.00 0.00 0.00 36.38 35.26 1uug s VAL 125 CO 0.74 0.48 1.58 0.18 0.00 0.00 0.00 175.10 178.08 1uug n LEU 126 N 3.99 1.22 -3.98 3.92 4.77 -1.26 -3.95 117.00 121.72 1uug n LEU 126 Ca -0.20 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 1uug n LEU 126 Cb 0.52 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1uug n LEU 126 CO 0.26 0.22 -0.18 0.42 -1.33 0.00 0.00 177.39 176.78 1uug s THR 127 N -2.37 0.14 0.04 -5.08 -4.23 -1.26 -4.46 115.64 98.42 1uug s THR 127 Ca 0.27 -1.48 -0.17 0.00 -1.18 0.00 0.00 61.69 59.13 1uug s THR 127 Cb 0.20 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.49 1uug s THR 127 CO 0.47 -0.65 0.38 0.54 -0.54 0.00 0.00 174.62 174.83 1uug s VAL 128 N -3.92 0.06 0.03 2.29 0.11 -0.87 -4.44 120.40 113.65 1uug s VAL 128 Ca 0.10 -0.50 -0.18 0.00 -2.93 0.00 0.00 61.98 58.47 1uug s VAL 128 Cb 0.06 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.93 1uug s VAL 128 CO -0.07 -0.28 0.51 -0.13 -3.33 0.00 0.00 175.10 171.81 1uug s ARG 129 N -2.36 4.13 0.08 1.54 0.52 -1.26 -1.67 118.95 119.93 1uug s ARG 129 Ca -0.06 0.61 -0.37 0.00 -0.52 0.00 0.00 55.73 55.40 1uug s ARG 129 Cb -0.01 -3.26 -0.16 0.00 0.52 0.00 0.00 34.95 32.04 1uug s ARG 129 CO -0.02 0.59 1.39 0.00 0.02 0.00 0.00 175.30 177.28 1uug n ALA 130 N 2.01 -0.66 -0.89 2.13 0.00 -0.26 -1.61 120.51 121.23 1uug n ALA 130 Ca -0.11 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1uug n ALA 130 Cb 0.51 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1uug n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uug n GLY 131 N 2.71 0.26 2.80 0.00 0.00 -0.76 -4.95 105.19 105.25 1uug n GLY 131 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1uug n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uug s GLN 132 N -1.00 1.24 0.37 1.61 -0.21 -0.64 -5.11 119.66 115.92 1uug s GLN 132 Ca 0.00 -1.80 -0.28 0.00 0.02 0.00 0.00 55.36 53.30 1uug s GLN 132 Cb 0.00 -2.50 -0.11 0.00 1.00 0.00 0.00 33.01 31.40 1uug s GLN 132 CO 0.00 -1.07 1.46 0.00 -2.12 0.00 0.00 175.29 173.56 1uug s ALA 133 N 0.72 3.56 -1.62 6.09 0.00 -1.26 -2.77 121.76 126.47 1uug s ALA 133 Ca 0.14 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1uug s ALA 133 Cb -0.22 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1uug s ALA 133 CO -0.08 -1.00 0.00 1.58 0.00 0.00 0.00 175.76 176.26 1uug n HIS 134 N 0.49 -1.04 0.23 0.00 -0.00 -1.26 -4.87 115.22 108.77 1uug n HIS 134 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.86 1uug n HIS 134 Cb 0.40 -3.62 0.28 0.00 -0.00 0.00 0.00 29.99 27.05 1uug n HIS 134 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1uug h SER 135 N 0.00 0.00 -0.72 0.26 4.64 -1.86 -3.23 113.55 112.64 1uug h SER 135 Ca -0.44 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.53 1uug h SER 135 Cb 1.32 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.20 1uug h SER 135 CO 0.52 0.01 0.33 1.41 -0.87 0.00 0.00 176.83 178.24 1uug n HIS 136 N -3.10 2.25 -2.65 4.77 8.25 -1.26 -4.92 115.22 118.55 1uug n HIS 136 Ca 0.03 -1.65 -0.32 0.00 -0.26 0.00 0.00 57.72 55.51 1uug n HIS 136 Cb 0.49 -0.74 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 1uug n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uug s ALA 137 N -3.23 3.07 -1.48 -1.41 0.00 -1.22 -4.01 121.76 113.48 1uug s ALA 137 Ca 0.52 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 1uug s ALA 137 Cb 0.45 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.48 1uug s ALA 137 CO 0.07 -0.03 0.73 0.43 0.00 0.00 0.00 175.76 176.97 1uug n SER 138 N -1.06 -5.72 -0.05 0.00 7.64 -1.26 -4.87 113.62 108.29 1uug n SER 138 Ca 0.07 -0.39 0.02 0.00 1.01 0.00 0.00 58.87 59.58 1uug n SER 138 Cb 0.54 -4.60 -0.01 0.00 -1.01 0.00 0.00 64.21 59.12 1uug n SER 138 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1uug n LEU 139 N -4.23 0.53 0.00 -3.43 4.32 -1.26 -5.01 117.00 107.93 1uug n LEU 139 Ca -0.06 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 1uug n LEU 139 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1uug n LEU 139 CO 0.54 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 1uug n GLY 140 N 0.91 1.27 0.27 -0.72 0.00 -1.26 -4.66 105.19 101.00 1uug n GLY 140 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1uug n GLY 140 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1uug h TRP 141 N 0.00 0.75 -0.71 1.61 -0.00 -1.88 -3.04 115.95 112.68 1uug h TRP 141 Ca 0.00 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.98 1uug h TRP 141 Cb 0.00 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 28.86 1uug h TRP 141 CO 0.00 0.39 0.39 0.93 -0.00 0.00 0.00 178.44 180.16 1uug h GLU 142 N 0.77 0.69 -0.08 0.49 3.07 -1.94 -0.10 114.58 117.48 1uug h GLU 142 Ca 0.29 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 1uug h GLU 142 Cb 0.11 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1uug h GLU 142 CO -0.15 0.46 -0.36 1.79 -1.40 0.00 0.00 179.01 179.35 1uug h THR 143 N 0.71 1.28 0.08 1.13 1.35 -1.88 0.64 112.91 116.22 1uug h THR 143 Ca 0.32 -1.34 -0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1uug h THR 143 Cb 0.23 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1uug h THR 143 CO -0.20 0.40 -0.04 0.15 -0.25 0.00 0.00 175.52 175.58 1uug h PHE 144 N 0.14 -0.11 0.00 4.73 3.57 -1.25 -2.00 116.94 122.02 1uug h PHE 144 Ca 0.02 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1uug h PHE 144 Cb 0.70 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1uug h PHE 144 CO 0.01 0.31 -0.14 1.79 -2.23 0.00 0.00 178.31 178.05 1uug h THR 145 N -0.56 0.44 -0.31 4.41 1.35 -0.94 -1.53 112.91 115.77 1uug h THR 145 Ca -0.01 -0.74 -0.08 0.00 -0.55 0.00 0.00 66.41 65.03 1uug h THR 145 Cb 0.46 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1uug h THR 145 CO 0.02 0.13 -0.12 0.44 -0.25 0.00 0.00 175.52 175.74 1uug h ASP 146 N 0.00 0.65 -0.76 5.36 3.32 -0.74 -2.33 116.42 121.92 1uug h ASP 146 Ca -0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1uug h ASP 146 Cb 0.51 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1uug h ASP 146 CO 0.02 0.90 0.35 0.11 -1.72 0.00 0.00 179.24 178.90 1uug h LYS 147 N 0.40 1.10 -0.38 3.56 1.79 -0.77 -1.79 116.57 120.49 1uug h LYS 147 Ca 0.07 -0.17 0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1uug h LYS 147 Cb 0.63 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1uug h LYS 147 CO 0.04 0.87 0.15 0.28 -1.08 0.00 0.00 179.45 179.71 1uug h VAL 148 N 1.07 0.92 -0.64 0.50 2.07 -1.09 0.55 116.25 119.63 1uug h VAL 148 Ca 0.26 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1uug h VAL 148 Cb 0.14 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1uug h VAL 148 CO -0.03 0.06 0.23 0.40 0.02 0.00 0.00 177.57 178.25 1uug h ILE 149 N 0.32 1.24 -0.86 4.57 2.04 -1.25 -1.70 117.51 121.87 1uug h ILE 149 Ca 0.17 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1uug h ILE 149 Cb 0.13 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1uug h ILE 149 CO -0.16 0.31 0.47 -1.28 0.00 0.00 0.00 178.15 177.49 1uug h SER 150 N 0.91 1.08 -0.15 1.72 0.87 -0.66 -0.31 113.55 117.00 1uug h SER 150 Ca 0.21 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1uug h SER 150 Cb 0.25 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1uug h SER 150 CO -0.01 0.86 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.54 1uug h LEU 151 N 1.21 0.82 -0.43 2.23 3.38 -0.57 -1.28 115.31 120.66 1uug h LEU 151 Ca 0.30 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1uug h LEU 151 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1uug h LEU 151 CO -0.05 1.20 0.13 0.40 0.09 0.00 0.00 178.44 180.22 1uug h ILE 152 N 0.57 1.22 -0.69 1.22 2.04 -0.97 0.27 117.51 121.16 1uug h ILE 152 Ca 0.01 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1uug h ILE 152 Cb 1.12 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1uug h ILE 152 CO 0.11 0.26 0.42 -1.13 0.00 0.00 0.00 178.15 177.81 1uug h ASN 153 N 0.56 0.68 0.03 1.72 -1.24 -0.89 -2.19 115.58 114.24 1uug h ASN 153 Ca 0.14 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1uug h ASN 153 Cb 0.27 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1uug h ASN 153 CO -0.00 0.46 -0.01 1.56 -1.29 0.00 0.00 177.43 178.14 1uug h GLN 154 N 0.81 -0.03 -0.24 6.67 4.20 -1.02 -3.37 115.11 122.13 1uug h GLN 154 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1uug h GLN 154 Cb 0.06 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1uug h GLN 154 CO -0.13 0.67 0.00 0.72 -0.67 0.00 0.00 178.83 179.42 1uug n HIS 155 N -4.75 0.32 -4.41 2.96 8.25 0.06 -4.94 115.22 112.71 1uug n HIS 155 Ca -0.09 -0.16 -0.21 0.00 -0.26 0.00 0.00 57.72 57.00 1uug n HIS 155 Cb 0.35 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 1uug n HIS 155 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1uug s ARG 156 N -1.68 1.68 0.04 -0.41 1.81 -0.82 -5.03 118.95 114.53 1uug s ARG 156 Ca 0.27 -1.97 -0.08 0.00 -1.72 0.00 0.00 55.73 52.24 1uug s ARG 156 Cb 0.14 -0.46 -0.00 0.00 -0.45 0.00 0.00 34.95 34.18 1uug s ARG 156 CO 0.21 -0.38 0.15 -1.21 -0.68 0.00 0.00 175.30 173.39 1uug s GLU 157 N -3.83 0.64 -1.38 3.54 2.02 -1.26 -4.86 118.70 113.57 1uug s GLU 157 Ca 0.33 -0.69 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 1uug s GLU 157 Cb 0.06 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.58 1uug s GLU 157 CO 0.16 -0.17 0.46 0.41 0.02 0.00 0.00 175.26 176.13 1uug n GLY 158 N 0.73 -0.50 3.86 -1.39 0.00 -0.05 -4.99 105.19 102.84 1uug n GLY 158 Ca -0.19 0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1uug n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uug s VAL 159 N -2.99 5.13 -0.14 1.61 1.01 -1.26 -4.87 120.40 118.89 1uug s VAL 159 Ca 0.30 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 1uug s VAL 159 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1uug s VAL 159 CO 0.37 0.46 0.26 -0.69 0.00 0.00 0.00 175.10 175.50 1uug s VAL 160 N -1.21 5.32 -0.19 2.92 1.01 -0.85 -1.24 120.40 126.16 1uug s VAL 160 Ca 0.27 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1uug s VAL 160 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1uug s VAL 160 CO 0.14 0.46 -0.13 -0.36 0.00 0.00 0.00 175.10 175.21 1uug s PHE 161 N -0.02 2.84 -0.41 5.22 0.40 -0.23 -0.36 117.98 125.43 1uug s PHE 161 Ca 0.16 -1.25 -0.09 0.00 -0.60 0.00 0.00 56.93 55.14 1uug s PHE 161 Cb -0.13 -1.97 0.07 0.00 0.51 0.00 0.00 43.02 41.49 1uug s PHE 161 CO 0.04 -0.63 0.24 -0.51 0.70 0.00 0.00 175.22 175.06 1uug s LEU 162 N 1.23 5.05 -0.36 -0.37 1.43 -0.33 -0.73 118.68 124.61 1uug s LEU 162 Ca 0.03 -1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 51.63 1uug s LEU 162 Cb -0.14 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1uug s LEU 162 CO -0.06 -0.50 0.16 -0.76 0.23 0.00 0.00 176.35 175.41 1uug s LEU 163 N 1.44 4.53 -0.23 1.79 1.43 0.03 -3.61 118.68 124.06 1uug s LEU 163 Ca 0.03 -1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1uug s LEU 163 Cb -0.22 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1uug s LEU 163 CO 0.03 -0.36 0.02 0.26 0.23 0.00 0.00 176.35 176.52 1uug s TRP 164 N 1.48 3.03 0.00 0.29 0.51 -1.26 -1.89 118.94 121.10 1uug s TRP 164 Ca 0.00 -0.62 0.00 0.00 -2.12 0.00 0.00 56.10 53.37 1uug s TRP 164 Cb -0.19 -2.16 0.00 0.00 -0.81 0.00 0.00 33.47 30.31 1uug s TRP 164 CO 0.05 -0.40 0.00 0.41 -0.51 0.00 0.00 176.95 176.49 1uug n GLY 165 N 4.74 1.33 0.32 0.98 0.00 -0.01 -4.38 105.19 108.17 1uug n GLY 165 Ca -0.17 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.19 1uug n GLY 165 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uug h SER 166 N 0.00 0.57 -0.39 1.61 0.02 -1.94 -1.10 113.55 112.32 1uug h SER 166 Ca 0.00 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1uug h SER 166 Cb 0.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1uug h SER 166 CO 0.00 0.42 -0.04 -0.74 -1.14 0.00 0.00 176.83 175.33 1uug h HIS 167 N 0.67 0.87 0.14 3.45 -0.00 -2.00 -2.69 115.15 115.59 1uug h HIS 167 Ca 0.18 -0.14 -0.28 0.00 -0.00 0.00 0.00 60.37 60.13 1uug h HIS 167 Cb -0.06 -0.23 0.01 0.00 -0.00 0.00 0.00 27.41 27.13 1uug h HIS 167 CO 0.00 0.83 -1.28 0.00 -0.00 0.00 0.00 177.93 177.47 1uug h ALA 168 N 1.20 0.08 0.00 5.26 0.00 -1.64 -3.27 119.26 120.88 1uug h ALA 168 Ca 0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1uug h ALA 168 Cb 0.51 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uug h ALA 168 CO 0.03 0.95 -0.05 1.96 0.00 0.00 0.00 179.25 182.14 1uug h GLN 169 N 0.08 0.00 0.00 0.00 4.20 -1.12 -1.95 115.11 116.33 1uug h GLN 169 Ca -0.15 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1uug h GLN 169 Cb 2.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.77 1uug h GLN 169 CO 0.21 0.05 -0.13 0.87 -0.67 0.00 0.00 178.83 179.16 1uug h LYS 170 N 0.00 0.00 0.00 1.46 1.57 -1.53 -2.16 116.57 115.91 1uug h LYS 170 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uug h LYS 170 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1uug h LYS 170 CO 0.01 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.64 1uug n LYS 171 N -3.31 0.02 0.22 3.15 4.76 -0.73 -3.32 118.16 118.94 1uug n LYS 171 Ca -0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.59 1uug n LYS 171 Cb 0.36 -1.50 0.53 0.00 -1.84 0.00 0.00 35.03 32.57 1uug n LYS 171 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1uug h GLY 172 N 4.96 0.00 2.00 0.72 0.00 -1.48 -2.96 103.07 106.31 1uug h GLY 172 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1uug h GLY 172 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1uug h ALA 173 N 2.11 1.12 0.00 3.60 0.00 -1.72 -2.47 119.26 121.90 1uug h ALA 173 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1uug h ALA 173 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1uug h ALA 173 CO 0.00 0.17 -0.70 0.82 0.00 0.00 0.00 179.25 179.54 1uug h ILE 174 N 0.00 1.41 -3.57 0.00 2.04 -1.77 -3.46 117.51 112.16 1uug h ILE 174 Ca -0.00 -2.47 -0.52 0.00 1.00 0.00 0.00 64.86 62.87 1uug h ILE 174 Cb 0.50 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1uug h ILE 174 CO 0.02 0.68 0.28 -0.63 0.00 0.00 0.00 178.15 178.51 1uug s ILE 175 N -3.27 4.44 -0.33 -0.67 1.01 -0.93 -4.98 121.20 116.47 1uug s ILE 175 Ca 0.00 1.92 -0.29 0.00 0.00 0.00 0.00 60.65 62.28 1uug s ILE 175 Cb 0.11 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1uug s ILE 175 CO 0.77 0.40 1.07 -0.62 0.00 0.00 0.00 174.94 176.56 1uug s ASP 176 N -0.45 6.89 0.00 3.58 -1.08 -1.26 -4.91 116.67 119.44 1uug s ASP 176 Ca 0.42 0.98 0.17 0.00 -0.52 0.00 0.00 52.55 53.60 1uug s ASP 176 Cb -0.23 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.51 1uug s ASP 176 CO 0.28 -0.91 1.54 0.29 0.52 0.00 0.00 175.17 176.89 1uug n LYS 177 N 6.94 0.15 -0.05 4.34 5.02 -1.26 -2.06 118.16 131.23 1uug n LYS 177 Ca 0.12 0.16 0.01 0.00 -2.02 0.00 0.00 58.31 56.57 1uug n LYS 177 Cb 0.47 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.83 1uug n LYS 177 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uug n GLN 178 N -1.38 0.74 0.06 1.97 6.02 -1.26 -4.37 117.38 119.16 1uug n GLN 178 Ca 0.07 -0.10 0.04 0.00 -0.01 0.00 0.00 57.00 56.99 1uug n GLN 178 Cb 0.17 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 1uug n GLN 178 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1uug n ARG 179 N -2.46 0.61 -4.41 -1.09 0.63 -1.12 -4.94 116.66 103.88 1uug n ARG 179 Ca -0.17 0.19 -0.21 0.00 -0.92 0.00 0.00 57.85 56.74 1uug n ARG 179 Cb 0.83 -1.82 -0.10 0.00 0.45 0.00 0.00 32.46 31.82 1uug n ARG 179 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1uug s HIS 180 N -3.08 1.76 -0.21 -0.14 3.76 -0.87 -0.87 115.29 115.64 1uug s HIS 180 Ca -0.02 -1.15 -0.02 0.00 -0.15 0.00 0.00 55.06 53.72 1uug s HIS 180 Cb 0.09 -1.09 0.00 0.00 1.11 0.00 0.00 32.58 32.69 1uug s HIS 180 CO 0.80 -0.23 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.78 1uug s HIS 181 N -3.45 2.90 -0.27 1.40 2.46 -0.37 -4.52 115.29 113.43 1uug s HIS 181 Ca 0.34 -1.25 -0.06 0.00 0.47 0.00 0.00 55.06 54.55 1uug s HIS 181 Cb 0.07 -2.03 -0.00 0.00 -0.13 0.00 0.00 32.58 30.48 1uug s HIS 181 CO 0.15 -0.66 0.06 0.08 -2.47 0.00 0.00 174.74 171.90 1uug s VAL 182 N 1.40 3.97 -0.21 0.89 1.01 -1.26 -1.06 120.40 125.14 1uug s VAL 182 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1uug s VAL 182 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1uug s VAL 182 CO -0.07 0.20 -0.07 -0.76 0.00 0.00 0.00 175.10 174.41 1uug s LEU 183 N 1.53 2.82 0.15 3.92 1.43 0.09 -4.99 118.68 123.63 1uug s LEU 183 Ca 0.04 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1uug s LEU 183 Cb -0.16 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1uug s LEU 183 CO 0.02 0.01 0.06 -0.54 0.23 0.00 0.00 176.35 176.12 1uug s LYS 184 N 1.32 2.64 -0.03 1.70 1.02 -1.26 -0.79 119.74 124.34 1uug s LYS 184 Ca 0.04 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.78 1uug s LYS 184 Cb -0.14 -2.52 0.11 0.00 -0.52 0.00 0.00 37.83 34.76 1uug s LYS 184 CO -0.03 0.49 0.97 0.00 -0.92 0.00 0.00 175.35 175.86 1uug s ALA 185 N -1.65 -1.87 0.91 5.17 0.00 -0.79 -4.96 121.76 118.57 1uug s ALA 185 Ca 0.29 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 53.17 1uug s ALA 185 Cb -0.10 0.33 0.14 0.00 0.00 0.00 0.00 23.12 23.50 1uug s ALA 185 CO 0.21 -0.72 1.14 -2.14 0.00 0.00 0.00 175.76 174.24 1uug s PRO 186 N -2.97 1.03 0.36 0.00 0.02 -1.26 -0.83 135.00 131.35 1uug s PRO 186 Ca 0.07 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.30 1uug s PRO 186 Cb -0.01 -1.73 -0.09 0.00 0.02 0.00 0.00 34.50 32.68 1uug s PRO 186 CO -0.07 -2.60 1.24 -1.58 -0.33 0.00 0.00 177.00 173.66 1uug s HIS 187 N -2.66 3.08 -1.75 6.54 2.46 -1.26 -4.27 115.29 117.42 1uug s HIS 187 Ca 0.66 1.49 0.08 0.00 0.47 0.00 0.00 55.06 57.77 1uug s HIS 187 Cb -0.22 -3.55 0.46 0.00 -0.13 0.00 0.00 32.58 29.13 1uug s HIS 187 CO 0.58 -1.59 1.03 -0.35 -2.47 0.00 0.00 174.74 171.94 1uug n PRO 188 N 0.51 0.20 -1.66 2.88 -0.04 -1.26 -3.50 135.00 132.13 1uug n PRO 188 Ca 0.02 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.18 1uug n PRO 188 Cb 0.44 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 1uug n PRO 188 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uug n SER 189 N -1.13 1.66 -0.36 3.54 2.88 -1.26 -4.49 113.62 114.47 1uug n SER 189 Ca 0.05 0.96 0.29 0.00 -1.33 0.00 0.00 58.87 58.84 1uug n SER 189 Cb 0.04 -1.44 0.60 0.00 -0.75 0.00 0.00 64.21 62.66 1uug n SER 189 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1uug h PRO 190 N 1.27 0.22 -0.09 -1.46 0.11 -1.87 0.25 132.00 130.44 1uug h PRO 190 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1uug h PRO 190 Cb 1.33 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1uug h PRO 190 CO 0.55 0.15 -0.13 1.25 -0.21 0.00 0.00 178.00 179.61 1uug h LEU 191 N 0.23 0.13 -0.83 2.35 5.85 -1.91 -3.30 115.31 117.82 1uug h LEU 191 Ca 0.64 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.34 1uug h LEU 191 Cb 1.96 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.95 1uug h LEU 191 CO -0.25 0.28 0.00 -1.54 -0.34 0.00 0.00 178.44 176.59 1uug n SER 192 N -4.32 0.78 -0.26 1.25 3.41 -0.60 -4.82 113.62 109.07 1uug n SER 192 Ca -0.01 -1.04 0.05 0.00 -0.26 0.00 0.00 58.87 57.61 1uug n SER 192 Cb 0.24 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.38 1uug n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uug h ALA 193 N 0.00 1.05 -0.02 7.33 0.00 -0.58 -0.46 119.26 126.59 1uug h ALA 193 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1uug h ALA 193 Cb 0.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uug h ALA 193 CO 0.00 -0.22 0.00 0.72 0.00 0.00 0.00 179.25 179.75 1uug n HIS 194 N -5.02 0.02 -0.80 0.00 8.25 -1.26 -1.87 115.22 114.54 1uug n HIS 194 Ca 0.14 -0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.67 1uug n HIS 194 Cb 0.42 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.91 1uug n HIS 194 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1uug n ARG 195 N -0.67 4.35 0.00 -0.41 5.12 -0.18 -4.86 116.66 120.01 1uug n ARG 195 Ca 0.20 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 53.07 1uug n ARG 195 Cb 0.15 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.35 1uug n ARG 195 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1uug n GLY 196 N 0.76 0.50 0.07 -0.13 0.00 -1.23 -4.85 105.19 100.32 1uug n GLY 196 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1uug n GLY 196 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1uug h PHE 197 N 0.00 -0.03 -2.68 1.61 3.57 -1.59 -3.34 116.94 114.48 1uug h PHE 197 Ca 0.00 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 1uug h PHE 197 Cb 0.00 0.01 0.02 0.00 2.79 0.00 0.00 35.95 38.77 1uug h PHE 197 CO 0.00 0.64 1.00 -0.06 -2.23 0.00 0.00 178.31 177.66 1uug s PHE 198 N -2.29 2.43 0.00 0.41 0.08 -0.78 -1.28 117.98 116.55 1uug s PHE 198 Ca -0.13 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.23 1uug s PHE 198 Cb -0.02 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1uug s PHE 198 CO 0.49 -3.91 0.00 0.41 -0.10 0.00 0.00 175.22 172.11 1uug n GLY 199 N 4.00 0.22 0.27 4.36 0.00 -1.26 -4.92 105.19 107.86 1uug n GLY 199 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1uug n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uug n ASN 201 N -3.75 -5.82 -0.13 0.00 5.15 -1.26 -4.90 115.26 104.55 1uug n ASN 201 Ca -0.02 0.11 0.02 0.00 -0.60 0.00 0.00 54.58 54.09 1uug n ASN 201 Cb 0.21 -4.90 0.32 0.00 -0.53 0.00 0.00 39.78 34.87 1uug n ASN 201 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1uug h HIS 202 N 0.00 0.77 -0.30 1.20 3.86 -1.91 -1.85 115.15 116.92 1uug h HIS 202 Ca -0.48 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 58.60 1uug h HIS 202 Cb 1.37 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 1uug h HIS 202 CO 0.56 0.48 -0.43 0.74 0.86 0.00 0.00 177.93 180.15 1uug h PHE 203 N 0.82 0.90 -0.13 2.45 0.04 -1.97 -0.33 116.94 118.73 1uug h PHE 203 Ca 0.23 -0.28 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 1uug h PHE 203 Cb -0.08 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 37.88 1uug h PHE 203 CO -0.00 1.04 -0.21 0.28 -0.60 0.00 0.00 178.31 178.82 1uug h VAL 204 N 0.61 1.37 -0.79 -0.55 2.07 -1.89 -2.84 116.25 114.22 1uug h VAL 204 Ca 0.04 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1uug h VAL 204 Cb 0.98 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 1uug h VAL 204 CO 0.09 0.42 0.50 -0.07 0.02 0.00 0.00 177.57 178.54 1uug h LEU 205 N -0.02 0.81 -0.47 2.57 4.07 -1.28 0.75 115.31 121.75 1uug h LEU 205 Ca 0.01 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1uug h LEU 205 Cb 0.78 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 1uug h LEU 205 CO 0.05 0.55 0.27 0.00 -1.08 0.00 0.00 178.44 178.23 1uug h ALA 206 N 1.35 0.59 -0.05 1.53 0.00 -1.05 -1.63 119.26 120.00 1uug h ALA 206 Ca 0.32 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1uug h ALA 206 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1uug h ALA 206 CO -0.13 -0.04 -0.58 -0.91 0.00 0.00 0.00 179.25 177.59 1uug h ASN 207 N 0.54 0.18 -0.44 0.00 2.35 -1.17 -2.52 115.58 114.52 1uug h ASN 207 Ca 0.19 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1uug h ASN 207 Cb 0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1uug h ASN 207 CO -0.09 0.72 0.17 -0.61 -1.65 0.00 0.00 177.43 175.97 1uug h GLN 208 N 0.12 0.66 -0.64 0.81 4.15 -0.44 -0.69 115.11 119.08 1uug h GLN 208 Ca -0.00 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1uug h GLN 208 Cb 1.06 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1uug h GLN 208 CO 0.09 0.60 0.29 2.35 -1.93 0.00 0.00 178.83 180.23 1uug h TRP 209 N 0.56 0.94 -0.08 3.99 2.91 -1.22 -1.25 115.95 121.80 1uug h TRP 209 Ca 0.15 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 1uug h TRP 209 Cb 0.20 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.56 1uug h TRP 209 CO 0.00 0.72 0.03 -0.07 -1.03 0.00 0.00 178.44 178.08 1uug h LEU 210 N 0.88 0.11 -0.68 0.65 3.38 -1.18 -2.78 115.31 115.69 1uug h LEU 210 Ca 0.22 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1uug h LEU 210 Cb 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1uug h LEU 210 CO -0.02 0.28 0.45 -0.33 0.09 0.00 0.00 178.44 178.91 1uug h GLU 211 N -0.06 0.90 -0.66 1.13 5.08 -1.00 -0.84 114.58 119.13 1uug h GLU 211 Ca 0.03 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1uug h GLU 211 Cb 0.21 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1uug h GLU 211 CO -0.00 0.60 0.44 1.96 -1.00 0.00 0.00 179.01 181.01 1uug h GLN 212 N 0.93 0.50 -0.68 2.33 4.20 -1.14 0.70 115.11 121.95 1uug h GLN 212 Ca 0.25 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1uug h GLN 212 Cb -0.10 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1uug h GLN 212 CO -0.05 0.33 0.00 0.54 -0.67 0.00 0.00 178.83 178.97 1uug n ARG 213 N -4.48 3.15 -3.53 1.46 1.74 -0.80 -4.92 116.66 109.28 1uug n ARG 213 Ca 0.11 -1.91 -0.22 0.00 -0.77 0.00 0.00 57.85 55.06 1uug n ARG 213 Cb 0.36 -1.85 0.08 0.00 -1.02 0.00 0.00 32.46 30.02 1uug n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uug n GLY 214 N 0.57 -0.47 3.51 -0.13 0.00 0.24 -5.02 105.19 103.89 1uug n GLY 214 Ca 0.17 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1uug n GLY 214 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uug s GLU 215 N -6.17 1.82 -0.01 1.61 2.02 -0.39 -5.01 118.70 112.57 1uug s GLU 215 Ca 0.51 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 1uug s GLU 215 Cb -0.22 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1uug s GLU 215 CO 0.70 0.35 1.39 0.99 0.02 0.00 0.00 175.26 178.70 1uug s THR 216 N -2.38 3.76 0.77 3.63 2.01 -1.26 -3.90 115.64 118.27 1uug s THR 216 Ca 0.29 1.13 -0.14 0.00 0.31 0.00 0.00 61.69 63.29 1uug s THR 216 Cb -0.06 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1uug s THR 216 CO 0.16 -0.01 1.19 -2.16 -0.69 0.00 0.00 174.62 173.11 1uug s PRO 217 N 2.46 1.91 0.08 4.92 0.04 -1.26 -4.91 135.00 138.24 1uug s PRO 217 Ca 0.63 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 63.10 1uug s PRO 217 Cb -0.31 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1uug s PRO 217 CO 0.26 -2.00 0.88 0.42 0.04 0.00 0.00 177.00 176.60 1uug s ILE 218 N -2.14 4.60 -0.54 0.56 -1.09 -1.26 -5.01 121.20 116.33 1uug s ILE 218 Ca 0.73 1.90 -0.22 0.00 -2.23 0.00 0.00 60.65 60.82 1uug s ILE 218 Cb -0.28 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1uug s ILE 218 CO 0.48 0.33 0.80 -0.62 -1.23 0.00 0.00 174.94 174.70 1uug s ASP 219 N 0.01 6.28 0.00 3.58 -1.08 -1.26 -4.92 116.67 119.27 1uug s ASP 219 Ca 0.44 -0.66 0.19 0.00 -0.52 0.00 0.00 52.55 52.00 1uug s ASP 219 Cb -0.22 -2.37 0.99 0.00 -1.46 0.00 0.00 42.92 39.86 1uug s ASP 219 CO 0.27 -1.09 1.56 0.79 0.52 0.00 0.00 175.17 177.23 1uug n TRP 220 N 6.88 0.00 -2.60 -5.34 7.02 -1.26 -4.77 117.44 117.38 1uug n TRP 220 Ca -0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.03 1uug n TRP 220 Cb 0.46 -0.22 -0.02 0.00 -2.42 0.00 0.00 31.31 29.12 1uug n TRP 220 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1uug s MET 221 N -2.43 3.84 0.16 -0.99 1.75 -1.26 -4.99 119.30 115.38 1uug s MET 221 Ca 0.20 0.78 -0.31 0.00 -1.25 0.00 0.00 55.69 55.12 1uug s MET 221 Cb 0.13 -3.85 -0.09 0.00 2.84 0.00 0.00 34.83 33.85 1uug s MET 221 CO 0.27 -1.22 1.48 -2.14 -0.65 0.00 0.00 175.02 172.76 1uug s PRO 222 N 4.19 4.26 -0.03 4.11 0.02 -1.26 -4.99 135.00 141.30 1uug s PRO 222 Ca 0.48 2.24 0.07 0.00 0.02 0.00 0.00 61.00 63.81 1uug s PRO 222 Cb -0.09 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 1uug s PRO 222 CO 0.26 -0.51 -0.25 0.08 -0.33 0.00 0.00 177.00 176.25 1uug s VAL 223 N 0.96 2.11 0.20 3.83 1.01 -1.26 -4.99 120.40 122.26 1uug s VAL 223 Ca 0.66 -1.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 1uug s VAL 223 Cb -0.41 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1uug s VAL 223 CO 0.32 0.58 0.86 -0.22 0.00 0.00 0.00 175.10 176.64 1uug s LEU 224 N -0.49 4.62 0.00 3.92 2.96 -1.26 -4.41 118.68 124.02 1uug s LEU 224 Ca 0.06 1.80 0.19 0.00 -0.22 0.00 0.00 54.13 55.96 1uug s LEU 224 Cb -0.11 -3.46 1.13 0.00 0.50 0.00 0.00 46.19 44.26 1uug s LEU 224 CO 0.00 0.18 1.53 -2.65 -1.32 0.00 0.00 176.35 174.09