#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 2.29 0.30 -5.08 -4.23 -1.26 -3.09 115.64 104.57 1uug s THR 6 Ca 0.00 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1uug s THR 6 Cb 0.00 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.35 1uug s THR 6 CO 0.00 -0.19 1.88 -0.50 -0.54 0.00 0.00 174.62 175.27 1uug h TRP 7 N 1.98 0.81 -0.69 3.99 4.06 -1.95 -2.65 115.95 121.50 1uug h TRP 7 Ca -0.42 -0.05 0.09 0.00 2.06 0.00 0.00 58.89 60.58 1uug h TRP 7 Cb 1.25 -0.25 -0.07 0.00 -1.00 0.00 0.00 29.16 29.09 1uug h TRP 7 CO 0.76 0.64 0.33 1.25 -3.56 0.00 0.00 178.44 177.86 1uug h HIS 8 N 0.79 0.59 -0.13 0.49 2.76 -1.96 -0.08 115.15 117.62 1uug h HIS 8 Ca 0.19 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1uug h HIS 8 Cb 0.18 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1uug h HIS 8 CO 0.01 0.20 -0.07 -0.44 -1.30 0.00 0.00 177.93 176.34 1uug h ASP 9 N 0.56 0.28 0.46 3.26 3.32 -1.89 -2.99 116.42 119.42 1uug h ASP 9 Ca 0.34 -0.42 -0.19 0.00 0.02 0.00 0.00 57.03 56.79 1uug h ASP 9 Cb 0.37 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1uug h ASP 9 CO -0.28 0.64 -0.81 -0.37 -1.72 0.00 0.00 179.24 176.70 1uug h VAL 10 N -0.07 1.44 -0.04 -1.35 -1.51 -1.40 -3.27 116.25 110.06 1uug h VAL 10 Ca 0.03 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.09 1uug h VAL 10 Cb 0.53 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1uug h VAL 10 CO 0.02 0.71 0.00 0.18 -1.23 0.00 0.00 177.57 177.25 1uug n LEU 11 N -3.74 1.49 -0.18 4.19 4.77 -0.06 -4.44 117.00 119.03 1uug n LEU 11 Ca -0.04 -0.52 -0.01 0.00 -0.03 0.00 0.00 56.01 55.41 1uug n LEU 11 Cb 0.76 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.90 1uug n LEU 11 CO 0.48 0.26 0.80 0.00 -1.33 0.00 0.00 177.39 177.60 1uug h ALA 12 N 4.30 0.46 -0.39 -1.18 0.00 -1.57 -1.95 119.26 118.93 1uug h ALA 12 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1uug h ALA 12 Cb 0.49 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1uug h ALA 12 CO 0.00 -0.41 -0.15 0.93 0.00 0.00 0.00 179.25 179.61 1uug h GLU 13 N 0.06 0.80 -0.98 0.00 3.07 -1.85 -3.23 114.58 112.44 1uug h GLU 13 Ca 0.28 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1uug h GLU 13 Cb 0.43 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.26 1uug h GLU 13 CO -0.51 0.95 0.65 0.93 -1.40 0.00 0.00 179.01 179.63 1uug h GLU 14 N 0.60 1.23 0.00 2.33 4.39 -1.67 -1.79 114.58 119.67 1uug h GLU 14 Ca 0.09 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1uug h GLU 14 Cb 0.70 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1uug h GLU 14 CO 0.05 0.81 0.00 1.63 -1.16 0.00 0.00 179.01 180.35 1uug n LYS 15 N -4.42 0.05 0.01 2.33 5.02 -0.80 -1.80 118.16 118.55 1uug n LYS 15 Ca 0.13 0.43 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1uug n LYS 15 Cb 0.07 -1.62 0.14 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.72 0.06 -2.14 1.97 3.00 -0.67 -4.65 117.38 113.22 1uug n GLN 16 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1uug n GLN 16 Cb 0.09 -1.52 -0.02 0.00 0.00 0.00 0.00 30.24 28.78 1uug n GLN 16 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1uug s GLN 17 N -3.04 4.36 0.18 -1.09 -1.52 -0.74 -4.94 119.66 112.87 1uug s GLN 17 Ca 0.09 2.18 -0.13 0.00 -1.95 0.00 0.00 55.36 55.55 1uug s GLN 17 Cb 0.17 -3.10 0.16 0.00 -0.22 0.00 0.00 33.01 30.02 1uug s GLN 17 CO 0.75 -0.21 1.74 -1.35 -0.25 0.00 0.00 175.29 175.96 1uug h PRO 18 N 4.01 0.30 -0.62 2.91 0.11 -1.92 -1.96 132.00 134.83 1uug h PRO 18 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1uug h PRO 18 Cb 1.22 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1uug h PRO 18 CO 0.69 0.20 0.35 0.10 -0.21 0.00 0.00 178.00 179.13 1uug h TYR 19 N 0.31 0.64 -0.36 0.65 -0.00 -1.96 -0.06 116.97 116.20 1uug h TYR 19 Ca 0.23 0.02 -0.04 0.00 -0.00 0.00 0.00 58.73 58.95 1uug h TYR 19 Cb 0.26 -0.20 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 1uug h TYR 19 CO -0.18 0.33 0.07 0.35 -0.00 0.00 0.00 178.16 178.73 1uug h PHE 20 N 0.66 0.61 -0.12 0.10 3.57 -1.74 -1.54 116.94 118.48 1uug h PHE 20 Ca 0.27 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1uug h PHE 20 Cb 0.13 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1uug h PHE 20 CO -0.08 0.62 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.36 1uug h LEU 21 N 0.43 0.20 -0.30 0.59 3.38 -1.00 -2.54 115.31 116.06 1uug h LEU 21 Ca 0.11 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1uug h LEU 21 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1uug h LEU 21 CO 0.00 0.41 -0.36 0.78 0.09 0.00 0.00 178.44 179.36 1uug h ASN 22 N 0.19 0.00 -0.19 -0.43 -0.26 -0.70 -2.06 115.58 112.13 1uug h ASN 22 Ca 0.04 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 1uug h ASN 22 Cb 0.46 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1uug h ASN 22 CO 0.03 0.36 -0.05 0.74 -1.06 0.00 0.00 177.43 177.44 1uug h THR 23 N 0.00 1.29 -0.64 2.81 2.02 -0.88 -0.44 112.91 117.07 1uug h THR 23 Ca -0.00 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1uug h THR 23 Cb 1.16 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1uug h THR 23 CO 0.05 0.31 0.31 -0.07 0.37 0.00 0.00 175.52 176.49 1uug h LEU 24 N 0.09 0.82 -0.28 2.58 4.07 -1.44 -2.35 115.31 118.80 1uug h LEU 24 Ca 0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1uug h LEU 24 Cb 0.50 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1uug h LEU 24 CO 0.02 0.69 0.04 -0.61 -1.08 0.00 0.00 178.44 177.50 1uug h GLN 25 N 0.91 0.47 -0.52 1.13 5.75 -1.14 -0.89 115.11 120.81 1uug h GLN 25 Ca 0.22 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1uug h GLN 25 Cb 0.09 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1uug h GLN 25 CO -0.03 0.59 0.34 1.15 -2.65 0.00 0.00 178.83 178.23 1uug h THR 26 N 0.28 1.11 -0.09 2.39 2.02 -0.78 0.11 112.91 117.95 1uug h THR 26 Ca 0.08 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1uug h THR 26 Cb 0.35 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1uug h THR 26 CO 0.01 0.13 0.04 0.58 0.37 0.00 0.00 175.52 176.64 1uug h VAL 27 N 0.69 1.13 -0.64 3.16 2.07 -1.33 -0.88 116.25 120.45 1uug h VAL 27 Ca 0.20 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1uug h VAL 27 Cb -0.06 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1uug h VAL 27 CO -0.05 0.11 0.41 0.00 0.02 0.00 0.00 177.57 178.06 1uug h ALA 28 N 0.90 0.82 -0.53 1.67 0.00 -0.88 -0.48 119.26 120.76 1uug h ALA 28 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1uug h ALA 28 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1uug h ALA 28 CO -0.00 0.21 0.13 0.77 0.00 0.00 0.00 179.25 180.35 1uug h SER 29 N 0.83 0.76 -0.36 0.00 0.02 -0.60 -1.87 113.55 112.34 1uug h SER 29 Ca 0.24 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.90 1uug h SER 29 Cb -0.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1uug h SER 29 CO -0.07 0.75 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.64 1uug h GLU 30 N 0.78 0.89 -0.71 3.45 5.08 -0.42 -2.48 114.58 121.18 1uug h GLU 30 Ca 0.17 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1uug h GLU 30 Cb 0.29 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1uug h GLU 30 CO -0.00 1.13 0.27 0.00 -1.00 0.00 0.00 179.01 179.41 1uug h ARG 31 N 0.70 1.05 -0.02 2.33 3.08 -0.89 -1.55 114.38 119.07 1uug h ARG 31 Ca 0.05 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 1uug h ARG 31 Cb 0.99 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1uug h ARG 31 CO 0.10 0.86 -0.49 1.96 -1.07 0.00 0.00 179.97 181.34 1uug h GLN 32 N 1.03 0.06 -0.35 0.04 4.20 -1.25 -2.97 115.11 115.87 1uug h GLN 32 Ca 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1uug h GLN 32 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1uug h GLN 32 CO -0.02 0.53 0.00 -1.13 -0.67 0.00 0.00 178.83 177.54 1uug n SER 33 N -3.96 1.34 0.00 1.46 3.41 -0.94 -4.89 113.62 110.04 1uug n SER 33 Ca -0.02 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1uug n SER 33 Cb 0.51 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.68 0.76 3.69 5.00 0.00 -1.12 -5.06 105.19 109.15 1uug n GLY 34 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.24 4.97 -0.04 1.61 1.01 -0.60 -5.03 120.40 120.09 1uug s VAL 35 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1uug s VAL 35 Cb 0.00 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1uug s VAL 35 CO 0.00 0.15 1.00 -0.89 0.00 0.00 0.00 175.10 175.36 1uug s THR 36 N 1.38 4.81 -0.02 3.92 2.01 -1.26 -4.08 115.64 122.40 1uug s THR 36 Ca 0.38 2.03 0.05 0.00 0.31 0.00 0.00 61.69 64.46 1uug s THR 36 Cb -0.17 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 1uug s THR 36 CO 0.16 0.10 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.41 1uug s ILE 37 N 1.39 1.26 0.09 1.82 1.01 -1.26 -1.51 121.20 124.00 1uug s ILE 37 Ca 0.51 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1uug s ILE 37 Cb -0.20 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1uug s ILE 37 CO 0.24 0.36 -0.11 -0.31 0.00 0.00 0.00 174.94 175.13 1uug s TYR 38 N -0.20 2.73 1.21 3.97 2.02 -0.51 -4.24 117.35 122.32 1uug s TYR 38 Ca 0.03 -0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.37 1uug s TYR 38 Cb -0.08 -1.44 0.29 0.00 -0.40 0.00 0.00 41.96 40.33 1uug s TYR 38 CO 0.00 0.41 1.10 -1.25 -1.57 0.00 0.00 175.55 174.24 1uug s PRO 39 N -2.08 -1.28 0.46 -1.71 0.04 -1.26 -1.79 135.00 127.39 1uug s PRO 39 Ca 0.20 -0.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.99 1uug s PRO 39 Cb -0.11 -1.59 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 1uug s PRO 39 CO 0.12 -3.75 0.73 -2.30 0.04 0.00 0.00 177.00 171.84 1uug n PRO 40 N -4.79 0.84 -0.28 0.56 -0.02 -1.26 -4.81 135.00 125.23 1uug n PRO 40 Ca 0.13 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1uug n PRO 40 Cb 0.59 -1.77 0.37 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.91 0.68 0.00 -0.52 5.75 -1.98 -0.95 115.11 119.00 1uug h GLN 41 Ca -0.43 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.03 1uug h GLN 41 Cb 1.38 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.77 1uug h GLN 41 CO 0.52 0.45 -0.00 1.57 -2.65 0.00 0.00 178.83 178.72 1uug h LYS 42 N 0.70 0.00 0.00 1.69 2.10 -2.03 -2.96 116.57 116.06 1uug h LYS 42 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 1uug h LYS 42 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1uug h LYS 42 CO -0.22 0.00 -1.19 -0.25 -2.00 0.00 0.00 179.45 175.79 1uug n ASP 43 N -3.10 0.70 -0.33 7.07 8.00 -0.37 -4.61 116.55 123.90 1uug n ASP 43 Ca -0.01 -0.62 0.27 0.00 0.71 0.00 0.00 54.79 55.14 1uug n ASP 43 Cb 0.21 1.14 0.52 0.00 -0.02 0.00 0.00 41.12 42.97 1uug n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1uug h VAL 44 N 0.00 0.20 -0.51 2.53 2.07 -1.40 -0.57 116.25 118.57 1uug h VAL 44 Ca 0.00 -0.07 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 1uug h VAL 44 Cb 0.64 -0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1uug h VAL 44 CO 0.00 0.04 0.12 0.49 0.02 0.00 0.00 177.57 178.24 1uug n PHE 45 N -5.10 1.67 -0.11 1.57 3.72 -1.26 -4.73 117.46 113.22 1uug n PHE 45 Ca 0.34 -1.27 0.12 0.00 -0.05 0.00 0.00 57.45 56.58 1uug n PHE 45 Cb 1.10 -0.54 0.48 0.00 -0.94 0.00 0.00 39.48 39.58 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 1.80 0.41 -0.62 4.37 2.35 -1.24 -1.78 115.58 120.88 1uug h ASN 46 Ca 0.21 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1uug h ASN 46 Cb 1.92 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 40.18 1uug h ASN 46 CO 0.52 0.25 0.41 0.00 -1.65 0.00 0.00 177.43 176.95 1uug h ALA 47 N 1.68 1.82 0.00 -0.83 0.00 -1.80 -1.24 119.26 118.89 1uug h ALA 47 Ca 0.30 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1uug h ALA 47 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1uug h ALA 47 CO -0.09 0.07 -0.97 0.74 0.00 0.00 0.00 179.25 179.01 1uug h PHE 48 N 0.58 0.00 -0.11 0.00 0.04 -1.57 -2.80 116.94 113.09 1uug h PHE 48 Ca 0.27 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.95 1uug h PHE 48 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1uug h PHE 48 CO -0.00 0.97 -0.28 0.00 -0.60 0.00 0.00 178.31 178.40 1uug h ARG 49 N 0.00 0.37 0.00 1.51 3.08 -1.09 -3.32 114.38 114.93 1uug h ARG 49 Ca -0.01 -0.26 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1uug h ARG 49 Cb 1.73 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 1uug h ARG 49 CO 0.13 0.87 -0.44 0.74 -1.07 0.00 0.00 179.97 180.20 1uug h PHE 50 N -0.07 0.00 -3.34 3.04 0.04 -1.38 -3.42 116.94 111.82 1uug h PHE 50 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 1uug h PHE 50 Cb 0.89 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.64 1uug h PHE 50 CO 0.11 0.44 -0.76 0.99 -0.60 0.00 0.00 178.31 178.49 1uug s THR 51 N -3.15 1.13 0.45 -1.55 2.01 -1.05 -4.30 115.64 109.18 1uug s THR 51 Ca 0.03 -1.35 -0.21 0.00 0.31 0.00 0.00 61.69 60.47 1uug s THR 51 Cb 0.08 -1.72 -0.09 0.00 0.01 0.00 0.00 72.50 70.78 1uug s THR 51 CO 0.72 -0.47 1.01 -0.70 -0.69 0.00 0.00 174.62 174.48 1uug s GLU 52 N 1.52 4.01 0.20 4.92 2.56 -1.26 -4.57 118.70 126.08 1uug s GLU 52 Ca 0.05 1.29 -0.23 0.00 0.00 0.00 0.00 54.97 56.08 1uug s GLU 52 Cb -0.18 -2.19 0.12 0.00 2.00 0.00 0.00 34.13 33.88 1uug s GLU 52 CO -0.16 -0.24 1.55 1.25 -0.56 0.00 0.00 175.26 177.10 1uug h LEU 53 N 1.83 -1.69 -0.32 2.70 6.46 -1.90 0.30 115.31 122.68 1uug h LEU 53 Ca -0.49 0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1uug h LEU 53 Cb 1.20 0.82 0.00 0.00 -0.73 0.00 0.00 40.66 41.95 1uug h LEU 53 CO 0.60 -0.27 0.00 0.61 -0.62 0.00 0.00 178.44 178.76 1uug n GLY 54 N -1.39 -1.00 0.15 3.75 0.00 -1.18 -2.46 105.19 103.06 1uug n GLY 54 Ca 0.07 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1uug n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uug n ASP 55 N -1.78 1.20 -4.69 1.61 8.00 0.10 -4.96 116.55 116.03 1uug n ASP 55 Ca 0.02 -1.01 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 1uug n ASP 55 Cb 0.15 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.90 1uug n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1uug s VAL 56 N -2.82 2.62 -0.03 2.53 1.01 -1.02 -4.37 120.40 118.31 1uug s VAL 56 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 1uug s VAL 56 Cb 0.17 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1uug s VAL 56 CO 0.74 -0.00 -0.03 0.29 0.00 0.00 0.00 175.10 176.10 1uug n LYS 57 N 5.89 0.08 -4.27 2.72 5.02 0.83 -4.92 118.16 123.51 1uug n LYS 57 Ca 0.18 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.32 1uug n LYS 57 Cb 0.39 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.60 -0.12 -0.18 1.01 -0.84 -2.25 120.40 116.55 1uug s VAL 58 Ca -0.04 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1uug s VAL 58 Cb 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.88 1uug s VAL 58 CO 0.07 0.14 -0.23 -0.69 0.00 0.00 0.00 175.10 174.39 1uug s VAL 59 N -0.25 2.04 -0.16 2.92 1.01 -0.23 -0.24 120.40 125.49 1uug s VAL 59 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1uug s VAL 59 Cb -0.03 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1uug s VAL 59 CO -0.00 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1uug s ILE 60 N 0.59 1.95 -0.11 2.22 1.01 -0.81 -0.98 121.20 125.07 1uug s ILE 60 Ca -0.13 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.46 1uug s ILE 60 Cb -0.17 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1uug s ILE 60 CO 0.03 0.52 0.47 -0.22 0.00 0.00 0.00 174.94 175.75 1uug s LEU 61 N 1.17 4.29 0.53 2.97 2.96 -1.24 -1.99 118.68 127.38 1uug s LEU 61 Ca 0.01 0.83 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1uug s LEU 61 Cb -0.14 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 43.88 1uug s LEU 61 CO -0.09 0.02 0.18 -0.83 -1.32 0.00 0.00 176.35 174.32 1uug s GLY 62 N 0.50 2.76 0.00 7.98 0.00 0.11 -4.75 107.32 113.93 1uug s GLY 62 Ca 0.26 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1uug s GLY 62 CO 0.10 -2.09 0.00 -1.06 0.00 0.00 0.00 173.10 170.05 1uug n GLN 63 N -1.51 0.00 -4.34 2.90 6.02 -1.26 -1.62 117.38 117.57 1uug n GLN 63 Ca -0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.69 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 -1.00 1.67 0.80 1.08 -4.77 -1.26 -1.14 116.67 112.04 1uug s ASP 64 Ca 0.00 -1.30 -0.11 0.00 -3.30 0.00 0.00 52.55 47.84 1uug s ASP 64 Cb 0.00 0.05 0.07 0.00 -1.09 0.00 0.00 42.92 41.96 1uug s ASP 64 CO 0.00 -0.61 1.12 -2.84 0.70 0.00 0.00 175.17 173.54 1uug s PRO 65 N -3.93 1.97 0.49 2.11 0.02 -1.26 -4.98 135.00 129.42 1uug s PRO 65 Ca 0.33 1.34 -0.23 0.00 0.02 0.00 0.00 61.00 62.45 1uug s PRO 65 Cb 0.07 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.67 1uug s PRO 65 CO 0.11 -1.88 1.33 0.71 -0.33 0.00 0.00 177.00 176.94 1uug s TYR 66 N -2.71 2.51 -0.76 6.54 2.02 -1.26 -4.87 117.35 118.82 1uug s TYR 66 Ca 0.64 1.38 0.16 0.00 -0.37 0.00 0.00 57.07 58.88 1uug s TYR 66 Cb -0.20 -3.74 0.63 0.00 -0.40 0.00 0.00 41.96 38.25 1uug s TYR 66 CO 0.54 -2.55 1.54 -2.39 -1.57 0.00 0.00 175.55 171.12 1uug n HIS 67 N -0.56 1.29 -4.03 2.71 1.44 -1.26 -4.54 115.22 110.27 1uug n HIS 67 Ca 0.08 -0.67 -0.26 0.00 -2.01 0.00 0.00 57.72 54.85 1uug n HIS 67 Cb 0.44 -0.26 -0.05 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.15 1.73 0.16 -1.39 0.00 -1.26 -1.09 107.32 104.33 1uug s GLY 68 Ca 0.45 -1.14 -0.32 0.00 0.00 0.00 0.00 44.72 43.72 1uug s GLY 68 CO 0.19 -1.14 1.64 2.56 0.00 0.00 0.00 173.10 176.34 1uug s PRO 69 N -3.10 4.18 0.00 2.90 0.04 -1.26 -2.99 135.00 134.76 1uug s PRO 69 Ca 0.32 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1uug s PRO 69 Cb -0.11 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1uug s PRO 69 CO 0.25 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1uug n GLY 70 N 3.88 0.75 0.00 0.56 0.00 -1.26 -4.96 105.19 104.16 1uug n GLY 70 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1uug n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uug n GLN 71 N -2.41 0.00 -2.36 1.61 6.02 -1.16 -4.31 117.38 114.77 1uug n GLN 71 Ca 0.00 0.36 -0.35 0.00 -0.01 0.00 0.00 57.00 57.01 1uug n GLN 71 Cb 0.01 -0.86 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 1uug n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uug s ALA 72 N -3.07 2.77 0.00 -1.58 0.00 -1.26 -2.74 121.76 115.87 1uug s ALA 72 Ca 0.00 0.72 0.12 0.00 0.00 0.00 0.00 51.96 52.80 1uug s ALA 72 Cb 0.00 -3.31 0.20 0.00 0.00 0.00 0.00 23.12 20.01 1uug s ALA 72 CO 0.00 -0.59 1.04 -2.39 0.00 0.00 0.00 175.76 173.82 1uug n HIS 73 N -1.20 0.00 -0.36 0.00 1.44 -1.26 -4.76 115.22 109.08 1uug n HIS 73 Ca 0.11 -0.42 0.00 0.00 -2.01 0.00 0.00 57.72 55.40 1uug n HIS 73 Cb 0.52 0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.75 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 0.23 0.76 3.29 -1.39 0.00 -1.26 -4.78 105.19 102.05 1uug n GLY 74 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 2.29 0.32 0.99 1.43 -1.26 -2.82 118.68 119.62 1uug s LEU 75 Ca 0.00 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 1uug s LEU 75 Cb 0.00 -0.92 -0.09 0.00 0.03 0.00 0.00 46.19 45.20 1uug s LEU 75 CO 0.00 0.08 1.14 0.00 0.23 0.00 0.00 176.35 177.80 1uug s ALA 76 N -1.12 3.36 0.00 4.21 0.00 -0.78 -3.96 121.76 123.46 1uug s ALA 76 Ca 0.07 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1uug s ALA 76 Cb -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1uug s ALA 76 CO 0.04 -0.31 0.00 1.19 0.00 0.00 0.00 175.76 176.69 1uug n PHE 77 N 0.86 0.00 -2.08 0.00 3.72 -1.26 -4.94 117.46 113.76 1uug n PHE 77 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1uug n PHE 77 Cb 0.45 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 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 5.77 0.12 4.37 0.15 -1.25 -4.87 113.70 117.99 1uug s SER 78 Ca 0.00 2.46 0.05 0.00 0.70 0.00 0.00 55.95 59.17 1uug s SER 78 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1uug s SER 78 CO 0.00 -1.20 -0.13 0.68 1.20 0.00 0.00 173.24 173.79 1uug s VAL 79 N -1.47 1.21 0.83 4.45 -7.23 -0.85 -4.55 120.40 112.79 1uug s VAL 79 Ca 0.68 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 1uug s VAL 79 Cb -0.33 -1.48 0.10 0.00 0.56 0.00 0.00 36.38 35.23 1uug s VAL 79 CO 0.39 -0.46 1.15 -0.13 -0.31 0.00 0.00 175.10 175.73 1uug s ARG 80 N -2.72 1.59 0.36 4.82 0.52 -1.11 -2.87 118.95 119.53 1uug s ARG 80 Ca 0.08 1.53 -0.28 0.00 -0.52 0.00 0.00 55.73 56.53 1uug s ARG 80 Cb -0.04 -1.79 -0.11 0.00 0.52 0.00 0.00 34.95 33.52 1uug s ARG 80 CO 0.02 -2.21 1.46 -2.30 0.02 0.00 0.00 175.30 172.29 1uug n PRO 81 N -3.67 2.55 -0.07 3.54 -0.02 -1.26 -2.53 135.00 133.54 1uug n PRO 81 Ca 0.12 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1uug n PRO 81 Cb 0.52 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.77 0.98 3.87 -1.23 0.00 -1.26 -5.05 105.19 103.26 1uug n GLY 82 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.42 5.22 0.42 -0.61 -1.09 -1.05 -5.06 121.20 116.61 1uug s ILE 83 Ca 0.00 0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 1uug s ILE 83 Cb 0.00 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.20 1uug s ILE 83 CO 0.00 0.46 1.37 0.00 -1.23 0.00 0.00 174.94 175.53 1uug s ALA 84 N -1.21 3.28 -0.17 9.38 0.00 -1.26 -4.55 121.76 127.23 1uug s ALA 84 Ca 0.25 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 1uug s ALA 84 Cb -0.14 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1uug s ALA 84 CO 0.13 -0.99 1.55 0.42 0.00 0.00 0.00 175.76 176.87 1uug s ILE 85 N -1.23 3.79 0.81 0.00 1.01 -1.26 -4.95 121.20 119.38 1uug s ILE 85 Ca 0.58 0.92 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 1uug s ILE 85 Cb -0.41 -3.71 0.08 0.00 0.01 0.00 0.00 42.46 38.43 1uug s ILE 85 CO 0.53 -0.21 1.15 -2.84 0.00 0.00 0.00 174.94 173.57 1uug s PRO 86 N 4.26 1.75 0.17 2.79 0.02 -1.26 -4.73 135.00 138.00 1uug s PRO 86 Ca 0.68 1.54 -0.17 0.00 0.02 0.00 0.00 61.00 63.07 1uug s PRO 86 Cb -0.26 -1.81 0.10 0.00 0.02 0.00 0.00 34.50 32.54 1uug s PRO 86 CO 0.26 -2.08 1.67 -1.35 -0.33 0.00 0.00 177.00 175.17 1uug h PRO 87 N -1.07 0.01 -0.62 5.54 0.11 -1.99 -1.07 132.00 132.92 1uug h PRO 87 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1uug h PRO 87 Cb 1.27 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1uug h PRO 87 CO 0.47 0.01 0.34 0.77 -0.21 0.00 0.00 178.00 179.38 1uug h SER 88 N 0.01 0.77 -0.08 -2.05 0.02 -1.93 -1.71 113.55 108.58 1uug h SER 88 Ca 0.19 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1uug h SER 88 Cb 0.29 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1uug h SER 88 CO -0.40 0.64 -0.23 0.25 -1.14 0.00 0.00 176.83 175.94 1uug h LEU 89 N 0.84 0.50 -0.78 5.07 5.85 -1.82 -1.60 115.31 123.36 1uug h LEU 89 Ca 0.22 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1uug h LEU 89 Cb 0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1uug h LEU 89 CO -0.04 0.74 0.30 0.25 -0.34 0.00 0.00 178.44 179.35 1uug h LEU 90 N 0.45 1.09 -0.73 2.25 5.85 -0.82 -0.60 115.31 122.80 1uug h LEU 90 Ca 0.07 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1uug h LEU 90 Cb 0.65 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1uug h LEU 90 CO 0.05 0.98 -0.33 0.78 -0.34 0.00 0.00 178.44 179.58 1uug h ASN 91 N 1.14 0.62 -0.60 1.25 2.35 -0.99 -1.50 115.58 117.85 1uug h ASN 91 Ca 0.26 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1uug h ASN 91 Cb 0.24 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1uug h ASN 91 CO -0.02 0.90 0.32 0.24 -1.65 0.00 0.00 177.43 177.22 1uug h MET 92 N 0.50 0.85 -0.84 0.81 2.86 -0.65 -1.73 114.93 116.72 1uug h MET 92 Ca 0.06 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1uug h MET 92 Cb 0.82 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 1uug h MET 92 CO 0.07 0.66 0.53 1.88 1.06 0.00 0.00 176.91 181.10 1uug h TYR 93 N 0.82 1.09 -0.68 -0.22 0.05 -0.76 -1.64 116.97 115.63 1uug h TYR 93 Ca 0.21 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1uug h TYR 93 Cb 0.07 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 1uug h TYR 93 CO -0.01 0.72 0.38 0.87 -1.05 0.00 0.00 178.16 179.07 1uug h LYS 94 N 1.15 0.95 -0.80 4.88 1.57 -0.84 0.66 116.57 124.14 1uug h LYS 94 Ca 0.31 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1uug h LYS 94 Cb -0.08 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.01 1uug h LYS 94 CO -0.06 0.70 0.47 1.49 -0.57 0.00 0.00 179.45 181.48 1uug h GLU 95 N 0.93 1.09 -0.30 3.15 4.57 -0.82 -2.24 114.58 120.97 1uug h GLU 95 Ca 0.24 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 1uug h GLU 95 Cb 0.03 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.37 1uug h GLU 95 CO -0.04 0.78 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.35 1uug h LEU 96 N 1.10 0.50 -0.88 1.64 3.38 -0.63 -2.94 115.31 117.49 1uug h LEU 96 Ca 0.29 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1uug h LEU 96 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1uug h LEU 96 CO -0.05 0.68 -0.05 -0.33 0.09 0.00 0.00 178.44 178.77 1uug h GLU 97 N 0.47 0.77 -0.49 1.13 5.08 -0.28 -2.40 114.58 118.86 1uug h GLU 97 Ca 0.08 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1uug h GLU 97 Cb 0.54 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1uug h GLU 97 CO 0.03 0.82 0.06 0.27 -1.00 0.00 0.00 179.01 179.19 1uug n ASN 98 N -4.19 4.71 0.00 1.42 0.23 -1.07 -4.49 115.26 111.86 1uug n ASN 98 Ca 0.02 -3.08 0.00 0.00 -0.53 0.00 0.00 54.58 50.99 1uug n ASN 98 Cb 0.33 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 1uug n ASN 98 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1uug n THR 99 N -0.06 0.00 -4.10 5.53 -2.24 -1.12 -5.05 114.28 107.24 1uug n THR 99 Ca 0.29 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.74 1uug n THR 99 Cb 1.13 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.86 2.25 0.22 2.28 1.01 -0.91 -4.93 121.20 120.26 1uug s ILE 100 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.47 1uug s ILE 100 Cb 0.00 -1.96 -0.10 0.00 0.01 0.00 0.00 42.46 40.41 1uug s ILE 100 CO 0.00 0.52 1.49 -2.84 0.00 0.00 0.00 174.94 174.11 1uug s PRO 101 N 1.31 4.25 0.00 2.79 0.02 -1.26 -2.11 135.00 140.00 1uug s PRO 101 Ca 0.05 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1uug s PRO 101 Cb -0.13 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1uug s PRO 101 CO -0.11 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1uug n GLY 102 N 2.79 1.59 3.75 0.52 0.00 -1.26 -5.02 105.19 107.56 1uug n GLY 102 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.07 3.74 0.01 1.61 2.19 -0.90 -5.04 117.98 116.51 1uug s PHE 103 Ca 0.00 1.76 0.00 0.00 0.33 0.00 0.00 56.93 59.02 1uug s PHE 103 Cb 0.00 -3.16 -0.01 0.00 -1.31 0.00 0.00 43.02 38.54 1uug s PHE 103 CO 0.00 -0.17 -0.01 -0.08 1.83 0.00 0.00 175.22 176.79 1uug s THR 104 N -0.84 0.06 -0.27 0.12 -1.32 -1.26 -4.79 115.64 107.33 1uug s THR 104 Ca 0.45 -0.27 -0.38 0.00 -1.21 0.00 0.00 61.69 60.28 1uug s THR 104 Cb -0.29 -0.10 -0.14 0.00 -1.51 0.00 0.00 72.50 70.46 1uug s THR 104 CO 0.36 -0.13 1.87 -1.14 -2.21 0.00 0.00 174.62 173.36 1uug n ARG 105 N 2.66 1.27 0.04 7.08 0.63 -1.26 -4.88 116.66 122.20 1uug n ARG 105 Ca -0.15 0.45 -0.02 0.00 -0.92 0.00 0.00 57.85 57.20 1uug n ARG 105 Cb 0.59 -2.24 0.24 0.00 0.45 0.00 0.00 32.46 31.50 1uug n ARG 105 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1uug h PRO 106 N 8.57 0.41 0.00 -0.14 0.11 -1.97 -3.47 132.00 135.50 1uug h PRO 106 Ca -0.42 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1uug h PRO 106 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1uug h PRO 106 CO 0.98 0.62 0.00 -1.71 -0.21 0.00 0.00 178.00 177.67 1uug n ASN 107 N -4.15 -2.23 -3.46 -2.05 5.15 -1.26 -5.02 115.26 102.24 1uug n ASN 107 Ca -0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.87 1uug n ASN 107 Cb 0.38 -0.37 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1uug n ASN 107 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1uug s HIS 108 N -2.00 -0.45 -0.21 1.20 -3.43 -1.26 -4.96 115.29 104.19 1uug s HIS 108 Ca 0.00 0.29 0.14 0.00 -0.80 0.00 0.00 55.06 54.70 1uug s HIS 108 Cb 0.00 0.55 0.47 0.00 -1.43 0.00 0.00 32.58 32.16 1uug s HIS 108 CO 0.00 -0.69 1.37 0.41 -2.00 0.00 0.00 174.74 173.82 1uug n GLY 109 N -0.27 4.54 3.65 -1.38 0.00 -1.26 -5.00 105.19 105.47 1uug n GLY 109 Ca -0.13 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.99 3.29 -0.28 1.61 5.04 -1.14 -2.01 117.35 120.88 1uug s TYR 110 Ca 0.41 1.24 0.11 0.00 -2.44 0.00 0.00 57.07 56.39 1uug s TYR 110 Cb 0.35 -3.22 0.55 0.00 0.35 0.00 0.00 41.96 39.99 1uug s TYR 110 CO 0.04 -0.49 1.53 1.28 -1.34 0.00 0.00 175.55 176.57 1uug n LEU 111 N 6.24 4.48 -0.12 6.97 4.77 -1.26 -4.58 117.00 133.51 1uug n LEU 111 Ca 0.09 -3.49 0.08 0.00 -0.03 0.00 0.00 56.01 52.66 1uug n LEU 111 Cb 0.47 -0.64 0.41 0.00 -2.33 0.00 0.00 43.42 41.33 1uug n LEU 111 CO 0.51 1.02 1.20 -0.08 -1.33 0.00 0.00 177.39 178.71 1uug h GLU 112 N 1.37 0.60 0.00 3.23 4.81 -1.93 -1.71 114.58 120.95 1uug h GLU 112 Ca 0.20 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1uug h GLU 112 Cb 1.78 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 31.02 1uug h GLU 112 CO 0.44 0.39 -0.07 0.66 -0.73 0.00 0.00 179.01 179.70 1uug h SER 113 N 0.61 0.00 -0.03 1.04 4.64 -1.84 -0.60 113.55 117.37 1uug h SER 113 Ca 0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 1uug h SER 113 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1uug h SER 113 CO -0.08 0.07 -0.12 -0.50 -0.87 0.00 0.00 176.83 175.32 1uug h TRP 114 N 0.00 0.19 -0.81 4.77 4.06 -1.65 -3.03 115.95 119.49 1uug h TRP 114 Ca -0.00 -0.08 0.04 0.00 2.06 0.00 0.00 58.89 60.91 1uug h TRP 114 Cb 0.16 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.24 1uug h TRP 114 CO 0.00 0.75 0.51 0.00 -3.56 0.00 0.00 178.44 176.14 1uug h ALA 115 N 0.40 1.07 0.00 1.49 0.00 -1.39 -1.13 119.26 119.70 1uug h ALA 115 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uug h ALA 115 Cb 0.76 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1uug h ALA 115 CO 0.03 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1uug h ARG 116 N 0.97 0.00 -0.30 0.00 2.47 -1.15 -2.02 114.38 114.35 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 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1uug h ARG 116 CO -0.13 0.00 0.00 1.04 0.56 0.00 0.00 179.97 181.44 1uug n GLN 117 N -2.96 2.31 0.00 0.04 6.02 -0.47 -4.94 117.38 117.38 1uug n GLN 117 Ca -0.01 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 1uug n GLN 117 Cb 0.15 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 1.41 1.16 3.42 1.08 0.00 -0.76 -4.84 105.19 106.66 1uug n GLY 118 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 5.08 -0.58 1.61 1.01 -0.96 -0.12 120.40 124.45 1uug s VAL 119 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 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 -0.64 1.18 -0.22 0.00 0.00 0.00 175.10 175.43 1uug s LEU 120 N 2.07 3.47 -1.03 3.92 2.96 0.66 -3.80 118.68 126.93 1uug s LEU 120 Ca 0.09 0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.95 1uug s LEU 120 Cb -0.21 -3.17 0.18 0.00 0.50 0.00 0.00 46.19 43.49 1uug s LEU 120 CO 0.09 -1.47 1.17 -0.76 -1.32 0.00 0.00 176.35 174.07 1uug s LEU 121 N 4.92 5.47 -0.23 -0.68 1.43 -1.26 -1.92 118.68 126.40 1uug s LEU 121 Ca 0.43 -2.64 -0.10 0.00 -1.03 0.00 0.00 54.13 50.78 1uug s LEU 121 Cb -0.08 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1uug s LEU 121 CO 0.25 -0.79 0.14 -0.22 0.23 0.00 0.00 176.35 175.97 1uug s LEU 122 N 1.47 4.06 0.17 1.79 2.96 -0.84 -1.87 118.68 126.42 1uug s LEU 122 Ca 0.34 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.22 1uug s LEU 122 Cb -0.06 -2.08 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 1uug s LEU 122 CO -0.06 0.08 0.54 0.20 -1.32 0.00 0.00 176.35 175.79 1uug s ASN 123 N 0.97 6.74 0.29 3.68 0.01 -1.26 0.09 114.94 125.47 1uug s ASN 123 Ca 0.07 1.01 0.15 0.00 -0.71 0.00 0.00 52.86 53.38 1uug s ASN 123 Cb -0.13 -2.26 0.27 0.00 0.41 0.00 0.00 41.25 39.53 1uug s ASN 123 CO 0.04 0.04 1.54 0.71 -1.51 0.00 0.00 177.10 177.91 1uug h THR 124 N 2.51 1.04 -3.18 1.60 1.35 -0.29 -3.42 112.91 112.51 1uug h THR 124 Ca -0.48 -2.14 -0.67 0.00 -0.55 0.00 0.00 66.41 62.56 1uug h THR 124 Cb 1.18 2.29 -0.34 0.00 -1.73 0.00 0.00 68.15 69.55 1uug h THR 124 CO 0.67 0.53 -0.87 -0.69 -0.25 0.00 0.00 175.52 174.91 1uug s VAL 125 N -3.20 2.08 -1.03 6.82 1.01 -0.30 -3.70 120.40 122.10 1uug s VAL 125 Ca 0.02 -0.97 0.26 0.00 0.00 0.00 0.00 61.98 61.29 1uug s VAL 125 Cb 0.09 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.72 1uug s VAL 125 CO 0.74 0.55 1.56 0.18 0.00 0.00 0.00 175.10 178.12 1uug n LEU 126 N 4.15 0.38 -4.18 3.92 4.77 -1.26 -4.06 117.00 120.72 1uug n LEU 126 Ca -0.20 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1uug n LEU 126 Cb 0.51 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1uug n LEU 126 CO 0.27 0.09 -0.31 0.42 -1.33 0.00 0.00 177.39 176.53 1uug s THR 127 N -2.98 0.35 -0.03 -5.08 -4.23 -1.26 -4.56 115.64 97.84 1uug s THR 127 Ca 0.12 -1.93 -0.24 0.00 -1.18 0.00 0.00 61.69 58.46 1uug s THR 127 Cb 0.18 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 72.02 1uug s THR 127 CO 0.65 -0.50 0.52 0.54 -0.54 0.00 0.00 174.62 175.29 1uug s VAL 128 N -3.88 0.03 0.08 2.29 0.11 -0.74 -4.43 120.40 113.86 1uug s VAL 128 Ca 0.23 -0.21 -0.20 0.00 -2.93 0.00 0.00 61.98 58.87 1uug s VAL 128 Cb 0.07 -0.85 -0.07 0.00 -1.53 0.00 0.00 36.38 34.00 1uug s VAL 128 CO 0.02 -0.12 0.60 -0.13 -3.33 0.00 0.00 175.10 172.15 1uug s ARG 129 N -1.38 4.27 0.08 1.54 0.52 -1.26 -1.42 118.95 121.30 1uug s ARG 129 Ca -0.11 0.80 -0.37 0.00 -0.52 0.00 0.00 55.73 55.53 1uug s ARG 129 Cb -0.02 -3.26 -0.17 0.00 0.52 0.00 0.00 34.95 32.02 1uug s ARG 129 CO 0.07 0.59 1.32 0.00 0.02 0.00 0.00 175.30 177.30 1uug n ALA 130 N 1.84 -1.11 -0.65 2.13 0.00 -0.57 -1.72 120.51 120.43 1uug n ALA 130 Ca -0.09 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1uug n ALA 130 Cb 0.50 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 2.46 0.36 2.97 0.00 0.00 -0.25 -4.93 105.19 105.81 1uug n GLY 131 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.64 1.77 0.35 1.61 -0.21 -0.70 -5.09 119.66 116.76 1uug s GLN 132 Ca 0.00 -2.33 -0.29 0.00 0.02 0.00 0.00 55.36 52.77 1uug s GLN 132 Cb 0.00 -3.25 -0.11 0.00 1.00 0.00 0.00 33.01 30.64 1uug s GLN 132 CO 0.00 -1.05 1.53 0.00 -2.12 0.00 0.00 175.29 173.66 1uug n ALA 133 N 3.55 2.50 -2.04 6.09 0.00 -1.26 -2.74 120.51 126.61 1uug n ALA 133 Ca 0.05 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.64 1uug n ALA 133 Cb 0.36 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.32 1uug n ALA 133 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1uug n HIS 134 N 0.97 -0.62 0.43 0.00 -0.00 -1.26 -4.88 115.22 109.85 1uug n HIS 134 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.88 1uug n HIS 134 Cb 0.38 -3.60 0.48 0.00 -0.00 0.00 0.00 29.99 27.25 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 -0.51 0.26 4.64 -1.85 -3.15 113.55 112.94 1uug h SER 135 Ca -0.44 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.61 1uug h SER 135 Cb 1.32 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.25 1uug h SER 135 CO 0.57 0.00 0.06 1.41 -0.87 0.00 0.00 176.83 177.99 1uug n HIS 136 N -2.44 1.58 -2.48 4.77 8.25 -1.26 -4.89 115.22 118.75 1uug n HIS 136 Ca 0.03 -1.73 -0.32 0.00 -0.26 0.00 0.00 57.72 55.43 1uug n HIS 136 Cb 0.31 -0.61 -0.04 0.00 1.12 0.00 0.00 29.99 30.78 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 -3.30 3.06 -1.46 -1.41 0.00 -1.19 -4.09 121.76 113.36 1uug s ALA 137 Ca 0.48 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 1uug s ALA 137 Cb 0.43 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.45 1uug s ALA 137 CO 0.02 -0.17 0.63 0.43 0.00 0.00 0.00 175.76 176.67 1uug n SER 138 N -1.39 -5.34 -0.00 0.00 7.64 -1.26 -4.87 113.62 108.41 1uug n SER 138 Ca 0.07 -0.36 0.03 0.00 1.01 0.00 0.00 58.87 59.62 1uug n SER 138 Cb 0.54 -4.33 -0.04 0.00 -1.01 0.00 0.00 64.21 59.37 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 -4.04 0.28 0.00 -3.43 4.32 -1.26 -5.01 117.00 107.87 1uug n LEU 139 Ca -0.07 -0.43 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 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 0.51 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.36 1uug n GLY 140 N 1.30 1.25 0.27 -0.72 0.00 -1.26 -4.60 105.19 101.43 1uug n GLY 140 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.80 -1.00 1.61 -0.00 -1.87 -2.18 115.95 113.30 1uug h TRP 141 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.92 1uug h TRP 141 Cb 0.00 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 28.85 1uug h TRP 141 CO 0.00 0.44 0.66 0.93 -0.00 0.00 0.00 178.44 180.47 1uug h GLU 142 N 0.82 1.32 -0.73 0.49 3.07 -1.94 0.51 114.58 118.13 1uug h GLU 142 Ca 0.29 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1uug h GLU 142 Cb 0.06 -0.30 -0.03 0.00 -0.84 0.00 0.00 28.75 27.65 1uug h GLU 142 CO -0.13 0.88 0.23 1.15 -1.40 0.00 0.00 179.01 179.74 1uug h THR 143 N 1.36 1.26 -0.23 1.13 2.02 -1.77 -0.90 112.91 115.78 1uug h THR 143 Ca 0.37 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1uug h THR 143 Cb -0.15 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1uug h THR 143 CO -0.08 0.35 -0.06 0.15 0.37 0.00 0.00 175.52 176.25 1uug h PHE 144 N 1.07 0.49 0.00 3.16 3.57 -0.71 -2.79 116.94 121.73 1uug h PHE 144 Ca 0.23 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1uug h PHE 144 Cb 0.29 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1uug h PHE 144 CO 0.02 0.67 -0.21 1.79 -2.23 0.00 0.00 178.31 178.36 1uug h THR 145 N 0.17 0.45 -0.47 4.41 1.35 -0.84 -1.95 112.91 116.03 1uug h THR 145 Ca 0.06 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.68 1uug h THR 145 Cb 0.51 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1uug h THR 145 CO 0.02 0.20 0.13 0.44 -0.25 0.00 0.00 175.52 176.06 1uug h ASP 146 N 0.00 0.71 -0.64 5.36 3.32 -1.09 -2.08 116.42 122.00 1uug h ASP 146 Ca -0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1uug h ASP 146 Cb 0.85 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1uug h ASP 146 CO 0.03 0.74 0.18 0.50 -1.72 0.00 0.00 179.24 178.97 1uug h LYS 147 N 0.63 1.00 -0.10 3.56 1.63 -1.19 -1.52 116.57 120.58 1uug h LYS 147 Ca 0.15 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1uug h LYS 147 Cb 0.31 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1uug h LYS 147 CO -0.00 0.89 0.03 0.28 -3.45 0.00 0.00 179.45 177.20 1uug h VAL 148 N 0.93 0.97 -0.23 2.00 2.07 -1.07 -0.57 116.25 120.34 1uug h VAL 148 Ca 0.20 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.72 1uug h VAL 148 Cb 0.32 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1uug h VAL 148 CO -0.00 0.01 0.10 0.40 0.02 0.00 0.00 177.57 178.10 1uug h ILE 149 N 0.08 0.97 -0.67 4.57 2.04 -1.27 -1.99 117.51 121.24 1uug h ILE 149 Ca 0.04 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1uug h ILE 149 Cb 0.03 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1uug h ILE 149 CO -0.05 0.04 0.44 -1.28 0.00 0.00 0.00 178.15 177.30 1uug h SER 150 N 0.22 0.47 -0.06 1.72 0.87 -0.92 -0.48 113.55 115.38 1uug h SER 150 Ca 0.10 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 1uug h SER 150 Cb 0.04 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1uug h SER 150 CO -0.08 0.29 -0.64 -0.07 -0.53 0.00 0.00 176.83 175.80 1uug h LEU 151 N 0.53 0.77 -0.45 2.23 3.38 -0.50 -1.77 115.31 119.49 1uug h LEU 151 Ca 0.31 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1uug h LEU 151 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1uug h LEU 151 CO -0.10 1.21 -0.05 0.40 0.09 0.00 0.00 178.44 179.99 1uug h ILE 152 N 0.49 1.27 -0.43 1.22 2.04 -0.52 0.87 117.51 122.46 1uug h ILE 152 Ca -0.01 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.75 1uug h ILE 152 Cb 1.23 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 1uug h ILE 152 CO 0.13 0.39 0.19 -1.13 0.00 0.00 0.00 178.15 177.73 1uug h ASN 153 N 0.68 0.26 -0.04 1.72 -1.24 -1.08 -1.98 115.58 113.90 1uug h ASN 153 Ca 0.12 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.01 1uug h ASN 153 Cb 0.58 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.62 1uug h ASN 153 CO 0.03 0.19 -0.58 -0.61 -1.29 0.00 0.00 177.43 175.18 1uug h GLN 154 N 0.39 0.46 -0.01 6.67 4.15 -1.14 -3.37 115.11 122.26 1uug h GLN 154 Ca 0.19 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1uug h GLN 154 Cb 0.12 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1uug h GLN 154 CO -0.15 1.09 -0.31 0.72 -1.93 0.00 0.00 178.83 178.25 1uug n HIS 155 N -4.21 0.00 -4.48 3.99 8.25 0.29 -4.97 115.22 114.09 1uug n HIS 155 Ca -0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 1uug n HIS 155 Cb 0.65 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.61 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 -2.39 1.71 0.00 -0.41 1.81 -0.75 -5.04 118.95 113.88 1uug s ARG 156 Ca 0.23 -1.95 -0.01 0.00 -1.72 0.00 0.00 55.73 52.29 1uug s ARG 156 Cb 0.19 -1.02 -0.00 0.00 -0.45 0.00 0.00 34.95 33.66 1uug s ARG 156 CO 0.50 -0.15 0.01 -2.00 -0.68 0.00 0.00 175.30 172.97 1uug s GLU 157 N -3.85 0.11 -0.98 3.54 2.56 -1.26 -4.79 118.70 114.03 1uug s GLU 157 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.97 55.18 1uug s GLU 157 Cb 0.09 0.04 0.00 0.00 2.00 0.00 0.00 34.13 36.26 1uug s GLU 157 CO 0.16 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.25 1uug n GLY 158 N 2.65 0.66 3.80 -1.50 0.00 -0.14 -5.02 105.19 105.65 1uug n GLY 158 Ca -0.15 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.42 4.34 -0.17 1.61 1.01 -1.26 -4.77 120.40 118.73 1uug s VAL 159 Ca 0.00 1.59 -0.10 0.00 0.00 0.00 0.00 61.98 63.47 1uug s VAL 159 Cb 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1uug s VAL 159 CO 0.00 -0.07 0.16 -0.69 0.00 0.00 0.00 175.10 174.49 1uug s VAL 160 N -1.87 5.42 -0.16 2.92 1.01 -0.95 -1.22 120.40 125.53 1uug s VAL 160 Ca 0.55 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1uug s VAL 160 Cb -0.14 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1uug s VAL 160 CO 0.19 0.48 -0.14 -0.36 0.00 0.00 0.00 175.10 175.27 1uug s PHE 161 N 0.01 2.81 -0.45 5.22 0.40 0.28 -1.07 117.98 125.18 1uug s PHE 161 Ca 0.11 -1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 55.33 1uug s PHE 161 Cb -0.12 -1.92 0.09 0.00 0.51 0.00 0.00 43.02 41.59 1uug s PHE 161 CO 0.00 -0.47 0.33 -0.51 0.70 0.00 0.00 175.22 175.28 1uug s LEU 162 N 0.87 5.47 -0.39 -0.37 1.43 -0.15 -0.87 118.68 124.67 1uug s LEU 162 Ca -0.04 -1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 51.36 1uug s LEU 162 Cb -0.15 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1uug s LEU 162 CO -0.01 -0.63 0.24 -0.76 0.23 0.00 0.00 176.35 175.42 1uug s LEU 163 N 1.47 4.89 -0.22 1.79 1.43 -0.04 -3.60 118.68 124.39 1uug s LEU 163 Ca 0.04 -1.09 -0.05 0.00 -1.03 0.00 0.00 54.13 51.99 1uug s LEU 163 Cb -0.25 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 1uug s LEU 163 CO 0.02 -0.44 0.01 0.26 0.23 0.00 0.00 176.35 176.44 1uug s TRP 164 N 1.55 3.03 0.00 0.29 0.51 -1.26 -2.37 118.94 120.69 1uug s TRP 164 Ca 0.02 -0.57 0.00 0.00 -2.12 0.00 0.00 56.10 53.43 1uug s TRP 164 Cb -0.20 -2.14 0.00 0.00 -0.81 0.00 0.00 33.47 30.32 1uug s TRP 164 CO 0.06 -0.36 0.00 0.41 -0.51 0.00 0.00 176.95 176.55 1uug n GLY 165 N 4.61 0.92 0.36 0.98 0.00 -0.15 -4.41 105.19 107.50 1uug n GLY 165 Ca -0.17 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 1.11 -0.43 1.61 0.02 -1.94 -1.52 113.55 112.40 1uug h SER 166 Ca 0.00 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1uug h SER 166 Cb 0.00 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1uug h SER 166 CO 0.00 0.88 0.23 -0.74 -1.14 0.00 0.00 176.83 176.06 1uug h HIS 167 N 1.25 0.43 -0.14 3.45 -0.00 -2.01 -1.63 115.15 116.49 1uug h HIS 167 Ca 0.31 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.55 1uug h HIS 167 Cb 0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1uug h HIS 167 CO 0.01 0.23 -0.55 0.00 -0.00 0.00 0.00 177.93 177.62 1uug h ALA 168 N 1.21 0.81 -0.47 5.26 0.00 -1.72 -3.18 119.26 121.16 1uug h ALA 168 Ca 0.18 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1uug h ALA 168 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1uug h ALA 168 CO -0.11 0.69 0.09 1.96 0.00 0.00 0.00 179.25 181.88 1uug h GLN 169 N 0.31 0.72 -0.69 0.00 4.20 -0.79 -2.63 115.11 116.23 1uug h GLN 169 Ca 0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1uug h GLN 169 Cb 1.06 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1uug h GLN 169 CO 0.09 0.67 0.27 0.87 -0.67 0.00 0.00 178.83 180.06 1uug h LYS 170 N 0.70 1.04 0.00 1.46 1.57 -1.30 -1.30 116.57 118.75 1uug h LYS 170 Ca 0.15 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1uug h LYS 170 Cb 0.29 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1uug h LYS 170 CO 0.00 0.87 0.00 0.87 -0.57 0.00 0.00 179.45 180.62 1uug h LYS 171 N 0.99 0.00 -0.59 3.15 1.57 -1.50 -2.16 116.57 118.03 1uug h LYS 171 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1uug h LYS 171 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1uug h LYS 171 CO -0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.27 1uug n GLY 172 N -0.84 1.19 0.12 3.86 0.00 -0.49 -3.70 105.19 105.33 1uug n GLY 172 Ca -0.02 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1uug n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uug h ALA 173 N 3.03 0.65 0.00 4.61 0.00 -1.50 -3.28 119.26 122.78 1uug h ALA 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uug h ALA 173 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1uug h ALA 173 CO 0.09 0.00 0.00 0.82 0.00 0.00 0.00 179.25 180.16 1uug h ILE 174 N 0.00 0.00 -3.41 0.00 2.04 -1.81 -3.45 117.51 110.88 1uug h ILE 174 Ca 0.00 -0.57 -0.55 0.00 1.00 0.00 0.00 64.86 64.74 1uug h ILE 174 Cb 0.92 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1uug h ILE 174 CO 0.00 0.00 0.14 -0.63 0.00 0.00 0.00 178.15 177.66 1uug s ILE 175 N -3.27 4.80 -0.44 -0.67 1.01 -1.24 -4.95 121.20 116.43 1uug s ILE 175 Ca 0.07 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 1uug s ILE 175 Cb 0.09 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1uug s ILE 175 CO 0.56 0.34 1.32 -0.62 0.00 0.00 0.00 174.94 176.55 1uug s ASP 176 N 0.10 6.42 0.00 3.58 -1.08 -1.26 -4.90 116.67 119.54 1uug s ASP 176 Ca 0.38 0.68 0.16 0.00 -0.52 0.00 0.00 52.55 53.25 1uug s ASP 176 Cb -0.20 -2.54 0.84 0.00 -1.46 0.00 0.00 42.92 39.56 1uug s ASP 176 CO 0.22 -1.39 1.45 0.29 0.52 0.00 0.00 175.17 176.26 1uug n LYS 177 N 8.04 0.28 -0.10 4.34 5.02 -1.26 -1.46 118.16 133.02 1uug n LYS 177 Ca 0.15 0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.39 1uug n LYS 177 Cb 0.48 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 1uug n LYS 177 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1uug n GLN 178 N -1.23 0.67 0.08 1.97 7.27 -1.26 -4.38 117.38 120.49 1uug n GLN 178 Ca 0.09 0.13 -0.06 0.00 0.07 0.00 0.00 57.00 57.23 1uug n GLN 178 Cb 0.11 -1.55 -0.06 0.00 2.41 0.00 0.00 30.24 31.15 1uug n GLN 178 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1uug h ARG 179 N 0.01 0.00 -5.53 3.69 2.43 -1.94 -3.47 114.38 109.57 1uug h ARG 179 Ca -0.54 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.09 1uug h ARG 179 Cb 2.01 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 31.42 1uug h ARG 179 CO -0.03 0.91 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.69 1uug s HIS 180 N -2.87 2.14 -0.33 2.20 3.76 -0.54 -0.97 115.29 118.69 1uug s HIS 180 Ca 0.01 -0.73 -0.06 0.00 -0.15 0.00 0.00 55.06 54.13 1uug s HIS 180 Cb 0.10 -1.33 0.04 0.00 1.11 0.00 0.00 32.58 32.50 1uug s HIS 180 CO 0.81 0.29 0.08 -1.58 -0.85 0.00 0.00 174.74 173.49 1uug s HIS 181 N -2.96 3.24 -0.20 1.40 2.46 -0.36 -4.49 115.29 114.38 1uug s HIS 181 Ca 0.33 -1.46 -0.08 0.00 0.47 0.00 0.00 55.06 54.33 1uug s HIS 181 Cb 0.06 -2.24 -0.04 0.00 -0.13 0.00 0.00 32.58 30.23 1uug s HIS 181 CO 0.15 -0.73 0.07 0.08 -2.47 0.00 0.00 174.74 171.84 1uug s VAL 182 N 1.39 4.74 -0.07 0.89 1.01 -1.26 -0.56 120.40 126.54 1uug s VAL 182 Ca -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1uug s VAL 182 Cb -0.19 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1uug s VAL 182 CO 0.02 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.55 1uug s LEU 183 N 0.66 2.05 0.19 3.92 1.43 -0.05 -4.96 118.68 121.93 1uug s LEU 183 Ca 0.04 -0.51 0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1uug s LEU 183 Cb -0.13 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1uug s LEU 183 CO 0.02 0.21 -0.22 -0.54 0.23 0.00 0.00 176.35 176.04 1uug s LYS 184 N 0.01 1.47 -0.05 1.70 1.02 -1.26 -0.86 119.74 121.76 1uug s LYS 184 Ca -0.08 -1.51 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1uug s LYS 184 Cb -0.15 -1.72 0.11 0.00 -0.52 0.00 0.00 37.83 35.55 1uug s LYS 184 CO 0.05 0.36 0.97 0.00 -0.92 0.00 0.00 175.35 175.81 1uug s ALA 185 N -1.81 -1.89 0.87 5.17 0.00 -1.00 -4.97 121.76 118.13 1uug s ALA 185 Ca 0.20 1.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 1uug s ALA 185 Cb -0.07 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.35 1uug s ALA 185 CO 0.09 -0.65 0.81 -2.30 0.00 0.00 0.00 175.76 173.71 1uug n PRO 186 N -0.17 -0.10 -2.00 0.00 -0.02 -1.26 -0.98 135.00 130.47 1uug n PRO 186 Ca -0.07 0.03 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 1uug n PRO 186 Cb 0.61 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1uug n PRO 186 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1uug s HIS 187 N -2.30 2.58 -1.35 6.00 2.46 -1.26 -4.24 115.29 117.18 1uug s HIS 187 Ca 0.65 1.44 0.06 0.00 0.47 0.00 0.00 55.06 57.68 1uug s HIS 187 Cb -0.26 -3.63 0.30 0.00 -0.13 0.00 0.00 32.58 28.87 1uug s HIS 187 CO 0.59 -2.27 1.07 -0.35 -2.47 0.00 0.00 174.74 171.32 1uug n PRO 188 N -0.65 0.07 -1.71 2.88 -0.04 -1.26 -3.40 135.00 130.90 1uug n PRO 188 Ca 0.08 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.39 1uug n PRO 188 Cb 0.46 -1.50 0.01 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 -1.32 2.68 -0.24 3.54 2.88 -1.26 -4.50 113.62 115.40 1uug n SER 189 Ca 0.03 1.14 0.32 0.00 -1.33 0.00 0.00 58.87 59.02 1uug n SER 189 Cb 0.05 -1.51 0.73 0.00 -0.75 0.00 0.00 64.21 62.74 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 2.24 0.00 -0.58 -1.46 0.11 -1.87 0.18 132.00 130.61 1uug h PRO 190 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1uug h PRO 190 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1uug h PRO 190 CO 0.61 0.00 0.01 1.25 -0.21 0.00 0.00 178.00 179.66 1uug h LEU 191 N 0.00 0.99 -0.58 2.35 5.85 -1.92 -3.35 115.31 118.65 1uug h LEU 191 Ca 0.49 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1uug h LEU 191 Cb 2.07 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.84 1uug h LEU 191 CO -0.01 1.05 -0.20 -1.54 -0.34 0.00 0.00 178.44 177.40 1uug n SER 192 N -4.24 0.95 -0.14 1.25 3.41 -0.08 -4.70 113.62 110.07 1uug n SER 192 Ca 0.02 -0.97 0.16 0.00 -0.26 0.00 0.00 58.87 57.82 1uug n SER 192 Cb 0.33 0.56 0.53 0.00 -0.26 0.00 0.00 64.21 65.38 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 1.34 2.16 -0.17 7.33 0.00 -0.76 -0.53 119.26 128.63 1uug h ALA 193 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uug h ALA 193 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uug h ALA 193 CO 0.00 -0.36 0.00 0.72 0.00 0.00 0.00 179.25 179.61 1uug n HIS 194 N -4.46 0.23 -1.50 0.00 8.25 -1.26 -2.39 115.22 114.09 1uug n HIS 194 Ca 0.13 -0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1uug n HIS 194 Cb 0.53 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.85 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 0.02 1.76 0.00 -0.41 5.12 -0.21 -4.91 116.66 118.04 1uug n ARG 195 Ca 0.09 -3.22 0.00 0.00 -1.93 0.00 0.00 57.85 52.79 1uug n ARG 195 Cb 0.19 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.73 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 -1.12 1.23 0.12 -0.13 0.00 -1.24 -4.74 105.19 99.30 1uug n GLY 196 Ca 0.29 0.00 -0.12 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 -0.16 -2.58 1.61 3.57 -1.70 -3.35 116.94 114.34 1uug h PHE 197 Ca 0.00 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.96 1uug h PHE 197 Cb 0.00 0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.80 1uug h PHE 197 CO 0.00 0.29 1.09 -0.06 -2.23 0.00 0.00 178.31 177.41 1uug s PHE 198 N -3.96 1.96 0.00 0.41 0.08 -1.01 -1.65 117.98 113.82 1uug s PHE 198 Ca -0.14 0.08 0.00 0.00 0.12 0.00 0.00 56.93 56.98 1uug s PHE 198 Cb 0.01 -4.01 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 1uug s PHE 198 CO 0.57 -4.28 0.00 0.41 -0.10 0.00 0.00 175.22 171.82 1uug n GLY 199 N 4.18 0.81 0.14 4.36 0.00 -1.26 -4.94 105.19 108.48 1uug n GLY 199 Ca 0.17 -0.02 0.13 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 -2.49 -4.56 -0.35 0.00 3.02 -1.26 -4.86 115.26 104.76 1uug n ASN 201 Ca 0.05 0.35 0.14 0.00 -0.03 0.00 0.00 54.58 55.08 1uug n ASN 201 Cb 0.43 -3.87 0.33 0.00 -0.61 0.00 0.00 39.78 36.07 1uug n ASN 201 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1uug h HIS 202 N 0.00 1.05 -0.31 3.10 3.86 -1.92 0.12 115.15 121.05 1uug h HIS 202 Ca -0.29 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 58.84 1uug h HIS 202 Cb 1.06 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1uug h HIS 202 CO 0.49 0.20 -0.27 0.74 0.86 0.00 0.00 177.93 179.94 1uug h PHE 203 N 0.72 0.73 0.07 2.45 0.04 -1.98 0.53 116.94 119.50 1uug h PHE 203 Ca 0.59 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 61.18 1uug h PHE 203 Cb 0.96 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1uug h PHE 203 CO -0.01 0.84 -0.03 0.28 -0.60 0.00 0.00 178.31 178.79 1uug h VAL 204 N 0.55 1.23 -0.83 -0.55 2.07 -1.53 -2.90 116.25 114.29 1uug h VAL 204 Ca 0.07 -1.40 0.11 0.00 0.82 0.00 0.00 66.70 66.30 1uug h VAL 204 Cb 0.75 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 1uug h VAL 204 CO 0.06 0.33 0.46 -0.07 0.02 0.00 0.00 177.57 178.37 1uug h LEU 205 N -0.76 0.63 -0.16 2.57 4.07 -0.79 -0.27 115.31 120.61 1uug h LEU 205 Ca -0.01 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.03 1uug h LEU 205 Cb 0.61 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 1uug h LEU 205 CO 0.02 0.34 0.02 0.00 -1.08 0.00 0.00 178.44 177.74 1uug h ALA 206 N 1.48 0.15 -0.18 1.53 0.00 -0.93 -1.50 119.26 119.80 1uug h ALA 206 Ca 0.41 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1uug h ALA 206 Cb 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1uug h ALA 206 CO -0.27 -0.42 -0.23 -0.91 0.00 0.00 0.00 179.25 177.41 1uug h ASN 207 N 0.08 0.31 -0.18 0.00 2.35 -1.14 -2.57 115.58 114.44 1uug h ASN 207 Ca 0.07 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 1uug h ASN 207 Cb 0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1uug h ASN 207 CO -0.10 0.56 -0.24 1.56 -1.65 0.00 0.00 177.43 177.56 1uug h GLN 208 N 0.29 0.64 -0.31 0.81 4.20 -0.63 -0.82 115.11 119.29 1uug h GLN 208 Ca 0.05 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 1uug h GLN 208 Cb 0.58 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1uug h GLN 208 CO 0.04 0.83 0.05 2.35 -0.67 0.00 0.00 178.83 181.43 1uug h TRP 209 N 0.56 0.55 -0.55 2.96 2.91 -1.01 -1.80 115.95 119.58 1uug h TRP 209 Ca 0.08 -0.08 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1uug h TRP 209 Cb 0.71 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.19 1uug h TRP 209 CO 0.03 0.59 0.14 -0.07 -1.03 0.00 0.00 178.44 178.11 1uug h LEU 210 N 0.34 0.82 -0.55 0.65 3.38 -1.30 -2.94 115.31 115.71 1uug h LEU 210 Ca 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1uug h LEU 210 Cb 0.34 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1uug h LEU 210 CO 0.01 0.83 0.31 -0.33 0.09 0.00 0.00 178.44 179.35 1uug h GLU 211 N 0.77 0.77 0.00 1.13 5.08 -1.03 0.44 114.58 121.73 1uug h GLU 211 Ca 0.17 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1uug h GLU 211 Cb 0.33 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1uug h GLU 211 CO -0.00 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 1uug n GLN 212 N -4.62 0.21 0.00 2.33 10.64 -0.69 -1.60 117.38 123.64 1uug n GLN 212 Ca 0.03 0.43 0.12 0.00 -1.83 0.00 0.00 57.00 55.76 1uug n GLN 212 Cb 0.08 -1.89 0.22 0.00 -0.86 0.00 0.00 30.24 27.79 1uug n GLN 212 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1uug n ARG 213 N -2.28 1.32 -0.98 2.61 1.74 -0.94 -4.94 116.66 113.19 1uug n ARG 213 Ca 0.02 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 1uug n ARG 213 Cb 0.23 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.34 0.69 3.80 -0.13 0.00 -0.63 -5.08 105.19 105.19 1uug n GLY 214 Ca 0.12 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.10 2.85 0.28 1.61 2.02 0.10 -5.01 118.70 118.45 1uug s GLU 215 Ca 0.00 -1.05 -0.29 0.00 0.02 0.00 0.00 54.97 53.64 1uug s GLU 215 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 34.13 31.60 1uug s GLU 215 CO 0.00 0.41 1.10 0.95 0.02 0.00 0.00 175.26 177.75 1uug s THR 216 N -2.07 3.48 1.11 3.63 -4.23 -1.26 -3.81 115.64 112.49 1uug s THR 216 Ca 0.32 1.48 -0.14 0.00 -1.18 0.00 0.00 61.69 62.17 1uug s THR 216 Cb -0.08 -3.94 0.25 0.00 1.34 0.00 0.00 72.50 70.06 1uug s THR 216 CO 0.24 0.35 1.07 -2.84 -0.54 0.00 0.00 174.62 172.90 1uug s PRO 217 N -1.42 -0.51 -0.19 3.99 0.02 -1.26 -4.84 135.00 130.79 1uug s PRO 217 Ca 0.45 0.43 -0.09 0.00 0.02 0.00 0.00 61.00 61.81 1uug s PRO 217 Cb -0.32 -1.64 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 1uug s PRO 217 CO 0.41 -3.34 0.10 0.42 -0.33 0.00 0.00 177.00 174.26 1uug s ILE 218 N -2.81 5.17 -0.65 2.83 -1.09 -1.26 -5.04 121.20 118.36 1uug s ILE 218 Ca 0.67 0.10 -0.24 0.00 -2.23 0.00 0.00 60.65 58.96 1uug s ILE 218 Cb -0.18 -3.34 0.06 0.00 -1.58 0.00 0.00 42.46 37.41 1uug s ILE 218 CO 0.59 0.46 1.01 -0.62 -1.23 0.00 0.00 174.94 175.14 1uug s ASP 219 N 0.30 6.21 0.00 3.58 -1.08 -1.26 -4.88 116.67 119.54 1uug s ASP 219 Ca 0.06 -0.76 0.16 0.00 -0.52 0.00 0.00 52.55 51.50 1uug s ASP 219 Cb -0.12 -2.44 0.85 0.00 -1.46 0.00 0.00 42.92 39.75 1uug s ASP 219 CO -0.01 -1.45 1.46 0.79 0.52 0.00 0.00 175.17 176.47 1uug n TRP 220 N 7.91 0.00 -2.45 -5.34 7.02 -1.26 -4.71 117.44 118.61 1uug n TRP 220 Ca -0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 1uug n TRP 220 Cb 0.46 -0.24 -0.02 0.00 -2.42 0.00 0.00 31.31 29.09 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 -2.48 3.47 0.28 -0.99 1.75 -1.26 -4.98 119.30 115.09 1uug s MET 221 Ca 0.17 0.56 -0.29 0.00 -1.25 0.00 0.00 55.69 54.88 1uug s MET 221 Cb 0.11 -4.05 -0.10 0.00 2.84 0.00 0.00 34.83 33.64 1uug s MET 221 CO 0.24 -1.71 1.26 -1.25 -0.65 0.00 0.00 175.02 172.91 1uug s PRO 222 N 5.10 4.43 -0.06 4.11 0.04 -1.26 -5.00 135.00 142.36 1uug s PRO 222 Ca 0.52 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.70 1uug s PRO 222 Cb -0.10 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1uug s PRO 222 CO 0.28 -0.12 -0.22 0.08 0.04 0.00 0.00 177.00 177.06 1uug s VAL 223 N -0.81 1.85 -0.06 -0.36 1.01 -1.26 -5.00 120.40 115.77 1uug s VAL 223 Ca 0.50 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 1uug s VAL 223 Cb -0.37 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1uug s VAL 223 CO 0.46 0.52 1.12 -0.22 0.00 0.00 0.00 175.10 176.98 1uug s LEU 224 N 0.01 4.28 0.15 3.92 2.96 -1.26 -4.52 118.68 124.21 1uug s LEU 224 Ca -0.07 1.72 -0.31 0.00 -0.22 0.00 0.00 54.13 55.25 1uug s LEU 224 Cb -0.14 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 1uug s LEU 224 CO 0.04 -0.52 1.48 -2.16 -1.32 0.00 0.00 176.35 173.87 1uug s PRO 225 N 2.03 4.27 0.00 0.98 0.04 -1.26 -5.16 135.00 135.91 1uug s PRO 225 Ca 0.53 2.22 0.27 0.00 0.04 0.00 0.00 61.00 64.06 1uug s PRO 225 Cb -0.22 -3.19 0.80 0.00 0.04 0.00 0.00 34.50 31.92 1uug s PRO 225 CO 0.21 -0.51 1.60 0.00 0.04 0.00 0.00 177.00 178.34