#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwg s ILE 4 N 0.00 2.42 0.08 0.58 1.01 -1.26 -0.32 121.20 123.71 3iwg s ILE 4 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3iwg s ILE 4 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3iwg s ILE 4 CO 0.00 0.52 -0.20 -0.54 0.00 0.00 0.00 174.94 174.73 3iwg s LYS 5 N 0.93 1.15 0.29 2.79 1.02 -0.71 -4.96 119.74 120.25 3iwg s LYS 5 Ca -0.04 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 3iwg s LYS 5 Cb -0.15 -1.34 -0.12 0.00 -0.52 0.00 0.00 37.83 35.70 3iwg s LYS 5 CO -0.03 0.32 1.50 2.41 -0.92 0.00 0.00 175.35 178.63 3iwg n THR 6 N 1.33 1.20 -2.98 2.17 -1.04 -1.26 0.42 114.28 114.13 3iwg n THR 6 Ca -0.19 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.05 61.09 3iwg n THR 6 Cb 0.54 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 67.20 3iwg n THR 6 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3iwg s ILE 7 N -0.24 4.71 0.02 12.58 -1.09 -0.53 -4.73 121.20 131.92 3iwg s ILE 7 Ca 0.63 0.63 -0.17 0.00 -2.23 0.00 0.00 60.65 59.51 3iwg s ILE 7 Cb -0.54 -4.25 -0.09 0.00 -1.58 0.00 0.00 42.46 36.00 3iwg s ILE 7 CO 0.52 -0.56 1.21 -0.33 -1.23 0.00 0.00 174.94 174.55 3iwg h GLU 8 N 8.72 -0.58 -5.10 2.79 4.39 -1.93 -3.44 114.58 119.44 3iwg h GLU 8 Ca -0.25 0.04 -0.66 0.00 0.34 0.00 0.00 59.36 58.83 3iwg h GLU 8 Cb 1.09 0.13 -0.28 0.00 -0.10 0.00 0.00 28.75 29.59 3iwg h GLU 8 CO 0.93 -0.38 -0.75 0.45 -1.16 0.00 0.00 179.01 178.09 3iwg s SER 9 N -2.95 4.05 0.66 1.42 0.15 -1.26 -4.99 113.70 110.78 3iwg s SER 9 Ca -0.09 -0.41 0.42 0.00 0.70 0.00 0.00 55.95 56.58 3iwg s SER 9 Cb 0.01 -1.67 2.33 0.00 -1.71 0.00 0.00 66.02 64.98 3iwg s SER 9 CO 0.26 0.04 2.35 -0.07 1.20 0.00 0.00 173.24 177.01 3iwg h LEU 10 N 7.69 0.00 -2.33 3.45 4.07 -2.00 -0.81 115.31 125.36 3iwg h LEU 10 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3iwg h LEU 10 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3iwg h LEU 10 CO 0.60 0.00 0.16 0.28 -1.08 0.00 0.00 178.44 178.40 3iwg h SER 11 N 0.00 0.00 0.96 -0.43 0.02 -2.00 -1.84 113.55 110.26 3iwg h SER 11 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3iwg h SER 11 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3iwg h SER 11 CO -0.00 0.00 -0.19 0.44 -1.14 0.00 0.00 176.83 175.94 3iwg h ASP 12 N 0.00 0.00 0.00 3.07 3.32 -1.57 -3.27 116.42 117.97 3iwg h ASP 12 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iwg h ASP 12 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3iwg h ASP 12 CO 0.00 0.19 -0.03 0.18 -1.72 0.00 0.00 179.24 177.86 3iwg n LEU 13 N -3.34 1.73 -0.19 1.55 4.77 -0.69 -4.61 117.00 116.22 3iwg n LEU 13 Ca 0.00 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.28 3iwg n LEU 13 Cb 0.41 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 3iwg n LEU 13 CO 0.32 0.29 0.50 0.74 -1.33 0.00 0.00 177.39 177.92 3iwg h THR 14 N 2.68 0.01 -0.50 -5.08 2.02 -1.67 0.97 112.91 111.35 3iwg h THR 14 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3iwg h THR 14 Cb 0.59 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3iwg h THR 14 CO 0.00 0.00 0.28 -0.61 0.37 0.00 0.00 175.52 175.56 3iwg h GLN 15 N -0.31 0.69 -0.09 6.66 4.15 -1.90 -2.25 115.11 122.06 3iwg h GLN 15 Ca 0.10 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 3iwg h GLN 15 Cb 0.56 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3iwg h GLN 15 CO -0.66 0.53 -0.39 -0.07 -1.93 0.00 0.00 178.83 176.31 3iwg h LEU 16 N 0.66 0.19 -0.23 -2.39 4.07 -1.69 -1.69 115.31 114.23 3iwg h LEU 16 Ca 0.18 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 3iwg h LEU 16 Cb 0.04 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3iwg h LEU 16 CO -0.03 0.57 -0.05 0.11 -1.08 0.00 0.00 178.44 177.96 3iwg h LYS 17 N 0.16 0.45 -0.62 1.13 1.79 -0.59 0.13 116.57 119.01 3iwg h LYS 17 Ca 0.02 -0.17 0.02 0.00 -2.18 0.00 0.00 60.65 58.33 3iwg h LYS 17 Cb 0.76 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 3iwg h LYS 17 CO 0.06 0.68 0.40 -0.22 -1.08 0.00 0.00 179.45 179.29 3iwg h LYS 18 N 0.19 0.78 -0.43 3.15 3.64 -1.24 0.56 116.57 123.22 3iwg h LYS 18 Ca 0.06 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3iwg h LYS 18 Cb 0.51 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3iwg h LYS 18 CO 0.02 0.52 0.16 0.00 -2.27 0.00 0.00 179.45 177.88 3iwg h ALA 19 N 1.25 0.56 -0.27 5.00 0.00 -1.22 0.66 119.26 125.24 3iwg h ALA 19 Ca 0.24 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3iwg h ALA 19 Cb -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3iwg h ALA 19 CO -0.07 0.18 -0.14 -0.92 0.00 0.00 0.00 179.25 178.29 3iwg h TYR 20 N 0.55 -0.36 -0.44 0.00 3.20 0.12 -2.28 116.97 117.78 3iwg h TYR 20 Ca 0.14 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3iwg h TYR 20 Cb 0.21 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3iwg h TYR 20 CO 0.00 -0.21 -0.07 0.74 -1.64 0.00 0.00 178.16 176.98 3iwg h PHE 21 N -0.12 0.91 -0.99 -3.82 0.04 -0.69 -2.79 116.94 109.48 3iwg h PHE 21 Ca 0.14 -0.19 0.20 0.00 2.80 0.00 0.00 57.97 60.93 3iwg h PHE 21 Cb 0.33 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 38.15 3iwg h PHE 21 CO -0.33 0.91 0.62 -0.44 -0.60 0.00 0.00 178.31 178.47 3iwg h ASP 22 N 0.65 0.68 0.58 2.17 3.32 -0.66 -0.02 116.42 123.15 3iwg h ASP 22 Ca 0.11 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3iwg h ASP 22 Cb 0.60 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3iwg h ASP 22 CO 0.04 0.23 0.00 -1.54 -1.72 0.00 0.00 179.24 176.24 3iwg n SER 23 N -4.72 0.00 -4.77 6.45 3.41 -0.88 -4.83 113.62 108.30 3iwg n SER 23 Ca 0.23 0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.48 3iwg n SER 23 Cb 0.64 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3iwg n SER 23 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iwg s SER 24 N -2.66 6.64 0.15 4.04 1.04 -0.02 -4.79 113.70 118.09 3iwg s SER 24 Ca 0.22 2.40 -0.10 0.00 0.48 0.00 0.00 55.95 58.95 3iwg s SER 24 Cb 0.18 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 3iwg s SER 24 CO 0.42 -0.60 1.51 0.40 0.98 0.00 0.00 173.24 175.95 3iwg h ILE 25 N 2.53 1.27 -2.71 -1.02 1.08 -1.55 -3.45 117.51 113.66 3iwg h ILE 25 Ca -0.49 -1.47 -0.48 0.00 -0.39 0.00 0.00 64.86 62.03 3iwg h ILE 25 Cb 1.23 1.25 -0.14 0.00 -3.07 0.00 0.00 36.82 36.09 3iwg h ILE 25 CO 0.63 0.50 -0.65 0.68 -0.69 0.00 0.00 178.15 178.63 3iwg s VAL 26 N -4.53 1.46 0.32 1.67 -7.23 -1.26 -5.12 120.40 105.71 3iwg s VAL 26 Ca -0.11 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 57.70 3iwg s VAL 26 Cb 0.12 -2.59 -0.12 0.00 0.56 0.00 0.00 36.38 34.35 3iwg s VAL 26 CO 0.88 -0.19 1.47 -0.81 -0.31 0.00 0.00 175.10 176.14 3iwg n PRO 27 N -0.62 2.48 -2.79 4.82 -0.04 -1.26 -4.99 135.00 132.60 3iwg n PRO 27 Ca -0.04 0.87 -0.28 0.00 -0.04 0.00 0.00 63.50 64.01 3iwg n PRO 27 Cb 0.65 -2.58 -0.01 0.00 -0.04 0.00 0.00 33.50 31.51 3iwg n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iwg s LEU 28 N -0.99 3.74 -0.09 1.53 1.43 -1.26 -5.00 118.68 118.04 3iwg s LEU 28 Ca 0.59 0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 3iwg s LEU 28 Cb -0.53 -3.89 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 3iwg s LEU 28 CO 0.56 -0.48 1.89 -0.62 0.23 0.00 0.00 176.35 177.94 3iwg s ASP 29 N -3.69 6.26 0.00 2.29 2.15 -1.26 -4.92 116.67 117.49 3iwg s ASP 29 Ca 0.48 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.66 3iwg s ASP 29 Cb -0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3iwg s ASP 29 CO 0.39 -1.27 0.00 0.61 -0.17 0.00 0.00 175.17 174.72 3iwg n GLY 30 N 4.76 0.00 0.00 2.66 0.00 -1.26 -1.18 105.19 110.17 3iwg n GLY 30 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3iwg n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iwg n TRP 32 N 0.54 0.00 0.06 1.61 7.02 -1.26 -0.12 117.44 125.29 3iwg n TRP 32 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 3iwg n TRP 32 Cb 0.00 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.77 3iwg n TRP 32 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3iwg n HIS 33 N 0.00 0.25 0.40 -5.99 8.25 -0.32 -1.41 115.22 116.39 3iwg n HIS 33 Ca 0.00 0.07 0.04 0.00 -0.26 0.00 0.00 57.72 57.57 3iwg n HIS 33 Cb 0.00 -0.60 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 3iwg n HIS 33 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3iwg n PHE 34 N -2.34 0.00 -0.00 4.41 3.72 0.83 -4.34 117.46 119.75 3iwg n PHE 34 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3iwg n PHE 34 Cb 0.56 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3iwg n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iwg n GLY 35 N 1.03 -0.35 0.16 1.37 0.00 -1.04 -4.73 105.19 101.62 3iwg n GLY 35 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3iwg n GLY 35 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3iwg h PHE 36 N -0.02 0.55 -0.46 1.61 0.04 -1.85 -3.33 116.94 113.49 3iwg h PHE 36 Ca 0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 3iwg h PHE 36 Cb 0.02 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 3iwg h PHE 36 CO -0.01 0.84 0.29 0.00 -0.60 0.00 0.00 178.31 178.83 3iwg h ALA 37 N 0.63 0.58 0.00 2.45 0.00 -1.43 -2.82 119.26 118.67 3iwg h ALA 37 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iwg h ALA 37 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3iwg h ALA 37 CO 0.05 0.06 0.00 -2.30 0.00 0.00 0.00 179.25 177.05 3iwg n PRO 38 N -4.74 0.05 -0.95 0.00 -0.02 -1.25 -4.78 135.00 123.30 3iwg n PRO 38 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3iwg n PRO 38 Cb 0.04 -1.48 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3iwg n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwg n ALA 40 N 1.83 -1.63 -2.07 3.55 0.00 -1.07 -5.01 120.51 116.12 3iwg n ALA 40 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 3iwg n ALA 40 Cb 0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3iwg n ALA 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3iwg s LYS 41 N -4.66 4.31 0.14 0.00 2.20 -0.88 -4.83 119.74 116.03 3iwg s LYS 41 Ca 0.00 2.14 0.04 0.00 -0.36 0.00 0.00 55.97 57.79 3iwg s LYS 41 Cb 0.00 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3iwg s LYS 41 CO 0.00 -0.42 0.15 -1.01 -0.36 0.00 0.00 175.35 173.71 3iwg s HIS 42 N 0.78 3.22 -0.00 4.03 3.76 -1.26 -1.50 115.29 124.32 3iwg s HIS 42 Ca 0.63 0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.57 3iwg s HIS 42 Cb -0.38 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 31.74 3iwg s HIS 42 CO 0.33 0.52 -0.00 -0.06 -0.85 0.00 0.00 174.74 174.68 3iwg s PHE 43 N -1.68 0.06 -0.11 1.40 0.08 -0.57 -1.45 117.98 115.71 3iwg s PHE 43 Ca 0.31 -0.00 -0.06 0.00 0.12 0.00 0.00 56.93 57.31 3iwg s PHE 43 Cb -0.11 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 3iwg s PHE 43 CO 0.24 -0.01 0.11 0.20 -0.10 0.00 0.00 175.22 175.66 3iwg s GLY 44 N 0.07 2.09 -0.34 4.36 0.00 0.17 -1.67 107.32 112.01 3iwg s GLY 44 Ca -0.01 -0.69 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 3iwg s GLY 44 CO -0.00 -0.44 0.23 -1.36 0.00 0.00 0.00 173.10 171.53 3iwg s PHE 45 N -1.01 3.22 -0.18 1.90 0.08 0.57 -1.74 117.98 120.82 3iwg s PHE 45 Ca 0.15 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 3iwg s PHE 45 Cb -0.12 -2.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.85 3iwg s PHE 45 CO 0.04 -0.38 -0.08 0.71 -0.10 0.00 0.00 175.22 175.41 3iwg s TYR 46 N 1.71 2.91 -0.54 0.36 1.51 0.56 -1.15 117.35 122.70 3iwg s TYR 46 Ca 0.06 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.22 3iwg s TYR 46 Cb -0.17 -1.98 0.14 0.00 -0.11 0.00 0.00 41.96 39.83 3iwg s TYR 46 CO 0.10 -0.38 0.44 0.08 -1.11 0.00 0.00 175.55 174.68 3iwg s VAL 47 N 0.93 4.59 -0.96 0.71 1.01 -0.34 -1.91 120.40 124.44 3iwg s VAL 47 Ca -0.01 -1.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.06 3iwg s VAL 47 Cb -0.15 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3iwg s VAL 47 CO 0.00 -0.84 0.47 -3.20 0.00 0.00 0.00 175.10 171.53 3iwg n ASN 48 N 4.79 -4.54 0.00 3.32 5.15 -1.26 -2.89 115.26 119.83 3iwg n ASN 48 Ca -0.06 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 3iwg n ASN 48 Cb 0.41 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.31 3iwg n ASN 48 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3iwg n LYS 49 N -2.95 0.00 -3.82 1.20 5.02 -1.26 -5.05 118.16 111.31 3iwg n LYS 49 Ca -0.06 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.88 3iwg n LYS 49 Cb 0.57 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 34.32 3iwg n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3iwg s ASN 50 N -3.11 6.18 -0.50 4.39 0.01 -1.14 -5.06 114.94 115.72 3iwg s ASN 50 Ca 0.00 0.29 -0.28 0.00 -0.71 0.00 0.00 52.86 52.15 3iwg s ASN 50 Cb 0.00 -2.06 0.03 0.00 0.41 0.00 0.00 41.25 39.63 3iwg s ASN 50 CO 0.00 0.25 1.12 -0.22 -1.51 0.00 0.00 177.10 176.74 3iwg s LEU 51 N -0.09 3.65 0.00 0.60 2.96 -1.26 -1.19 118.68 123.35 3iwg s LEU 51 Ca 0.10 0.34 0.09 0.00 -0.22 0.00 0.00 54.13 54.44 3iwg s LEU 51 Cb -0.11 -3.43 0.18 0.00 0.50 0.00 0.00 46.19 43.33 3iwg s LEU 51 CO 0.00 -1.27 1.04 1.33 -1.32 0.00 0.00 176.35 176.12 3iwg n VAL 52 N 6.76 0.56 -3.95 1.68 0.24 -0.30 -4.98 118.33 118.35 3iwg n VAL 52 Ca 0.10 -0.78 0.01 0.00 -2.04 0.00 0.00 64.34 61.63 3iwg n VAL 52 Cb 0.49 0.81 0.01 0.00 -1.47 0.00 0.00 33.84 33.68 3iwg n VAL 52 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iwg s GLY 53 N -0.91 -0.07 0.21 7.63 0.00 -0.98 -0.91 107.32 112.29 3iwg s GLY 53 Ca 0.16 -0.05 -0.23 0.00 0.00 0.00 0.00 44.72 44.61 3iwg s GLY 53 CO 0.13 4.62 0.79 -0.11 0.00 0.00 0.00 173.10 178.53 3iwg s PHE 54 N -2.07 -0.22 0.33 1.90 -0.71 -0.18 -0.32 117.98 116.71 3iwg s PHE 54 Ca 0.27 -0.14 -0.06 0.00 -1.04 0.00 0.00 56.93 55.96 3iwg s PHE 54 Cb -0.01 0.66 0.01 0.00 -1.21 0.00 0.00 43.02 42.47 3iwg s PHE 54 CO 0.01 -1.03 0.50 0.00 -1.34 0.00 0.00 175.22 173.36 3iwg s VAL 57 N -0.28 1.74 1.04 0.00 1.01 -0.56 -0.64 120.40 122.71 3iwg s VAL 57 Ca -0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 3iwg s VAL 57 Cb -0.03 -1.52 0.24 0.00 0.00 0.00 0.00 36.38 35.07 3iwg s VAL 57 CO 0.01 0.49 1.31 0.54 0.00 0.00 0.00 175.10 177.45 3iwg s ASN 58 N 0.39 2.42 0.42 3.32 2.20 0.16 -2.07 114.94 121.78 3iwg s ASN 58 Ca -0.16 0.22 0.14 0.00 -0.94 0.00 0.00 52.86 52.12 3iwg s ASN 58 Cb -0.17 -0.20 0.89 0.00 -2.00 0.00 0.00 41.25 39.77 3iwg s ASN 58 CO 0.07 -3.16 1.92 0.44 -2.94 0.00 0.00 177.10 173.43 3iwg h ASP 59 N -1.94 0.00 0.69 3.54 3.32 -2.00 -1.31 116.42 118.73 3iwg h ASP 59 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3iwg h ASP 59 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3iwg h ASP 59 CO 0.31 0.26 0.00 0.47 -1.72 0.00 0.00 179.24 178.57 3iwg n ASP 60 N -4.21 0.00 0.00 6.45 8.00 -1.26 -4.89 116.55 120.64 3iwg n ASP 60 Ca -0.02 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3iwg n ASP 60 Cb 0.31 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3iwg n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iwg n GLY 61 N 0.90 0.89 3.58 0.44 0.00 -0.49 -4.80 105.19 105.71 3iwg n GLY 61 Ca 0.08 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 3iwg n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwg s TYR 62 N -2.00 3.17 0.53 1.61 1.51 -1.25 -1.04 117.35 119.87 3iwg s TYR 62 Ca 0.00 -0.06 -0.22 0.00 -1.01 0.00 0.00 57.07 55.78 3iwg s TYR 62 Cb 0.00 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3iwg s TYR 62 CO 0.00 0.08 1.32 -0.51 -1.11 0.00 0.00 175.55 175.33 3iwg s LEU 63 N 0.37 3.87 0.00 -1.29 1.02 -0.72 0.39 118.68 122.32 3iwg s LEU 63 Ca 0.00 2.66 0.00 0.00 0.02 0.00 0.00 54.13 56.82 3iwg s LEU 63 Cb -0.13 -4.28 0.00 0.00 0.02 0.00 0.00 46.19 41.80 3iwg s LEU 63 CO 0.01 -1.46 0.00 0.18 0.02 0.00 0.00 176.35 175.10 3iwg n LEU 64 N -0.96 0.00 -3.87 1.79 4.77 0.19 -1.57 117.00 117.35 3iwg n LEU 64 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 3iwg n LEU 64 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3iwg n LEU 64 CO 0.51 0.00 -0.15 -1.10 -1.33 0.00 0.00 177.39 175.32 3iwg s GLN 65 N -1.85 0.59 -0.24 3.23 -0.21 -1.24 -4.82 119.66 115.13 3iwg s GLN 65 Ca 0.00 -0.57 -0.17 0.00 0.02 0.00 0.00 55.36 54.64 3iwg s GLN 65 Cb 0.00 0.24 0.07 0.00 1.00 0.00 0.00 33.01 34.32 3iwg s GLN 65 CO 0.00 -0.16 0.61 -0.47 -2.12 0.00 0.00 175.29 173.15 3iwg s TYR 66 N -2.14 -0.81 -0.29 0.91 6.14 -1.26 -1.84 117.35 118.05 3iwg s TYR 66 Ca -0.09 1.77 -0.13 0.00 0.64 0.00 0.00 57.07 59.27 3iwg s TYR 66 Cb -0.03 0.39 0.12 0.00 0.42 0.00 0.00 41.96 42.86 3iwg s TYR 66 CO -0.02 -0.41 0.72 -0.47 0.64 0.00 0.00 175.55 176.01 3iwg s TYR 67 N 1.02 -1.13 -0.00 4.97 5.04 -0.68 -4.67 117.35 121.90 3iwg s TYR 67 Ca -0.06 2.08 0.08 0.00 -2.44 0.00 0.00 57.07 56.73 3iwg s TYR 67 Cb -0.05 0.68 -0.02 0.00 0.35 0.00 0.00 41.96 42.91 3iwg s TYR 67 CO -0.10 -0.56 -0.24 -1.17 -1.34 0.00 0.00 175.55 172.14 3iwg s LEU 68 N 2.28 2.07 0.20 6.97 0.20 -1.26 -1.01 118.68 128.13 3iwg s LEU 68 Ca -0.07 -0.46 -0.32 0.00 0.69 0.00 0.00 54.13 53.96 3iwg s LEU 68 Cb -0.08 -1.23 -0.15 0.00 -0.43 0.00 0.00 46.19 44.30 3iwg s LEU 68 CO -0.19 0.28 1.26 0.00 -0.29 0.00 0.00 176.35 177.41 3iwg n GLN 69 N 2.34 1.54 -0.12 1.98 6.02 -0.08 -4.80 117.38 124.24 3iwg n GLN 69 Ca -0.16 0.55 0.17 0.00 -0.01 0.00 0.00 57.00 57.55 3iwg n GLN 69 Cb 0.52 -2.11 0.56 0.00 1.02 0.00 0.00 30.24 30.23 3iwg n GLN 69 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3iwg h PRO 70 N 3.69 0.29 -5.23 -1.09 0.13 -1.99 -2.34 132.00 125.46 3iwg h PRO 70 Ca -0.44 -0.02 -0.71 0.00 -0.87 0.00 0.00 66.00 63.97 3iwg h PRO 70 Cb 1.31 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.27 3iwg h PRO 70 CO 0.72 0.19 1.99 -0.85 -0.23 0.00 0.00 178.00 179.83 3iwg n GLU 71 N -4.45 3.25 -1.81 0.86 0.00 -1.26 -3.88 120.64 113.36 3iwg n GLU 71 Ca 0.13 -3.43 -0.05 0.00 0.00 0.00 0.00 57.16 53.82 3iwg n GLU 71 Cb 0.56 -3.30 0.03 0.00 0.00 0.00 0.00 31.44 28.73 3iwg n GLU 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3iwg n PHE 72 N 7.08 -1.01 0.00 -1.84 3.01 -0.88 -5.08 117.46 118.75 3iwg n PHE 72 Ca 0.45 -1.09 0.00 0.00 1.01 0.00 0.00 57.45 57.82 3iwg n PHE 72 Cb 0.44 1.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.93 3iwg n PHE 72 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3iwg n GLN 73 N -0.76 0.00 -0.03 -1.08 -0.06 -1.25 0.22 117.38 114.41 3iwg n GLN 73 Ca -0.23 0.28 -0.12 0.00 -2.00 0.00 0.00 57.00 54.93 3iwg n GLN 73 Cb 0.79 -0.44 0.02 0.00 -4.06 0.00 0.00 30.24 26.54 3iwg n GLN 73 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 3iwg h LEU 74 N 0.00 0.77 -0.55 1.69 6.46 -1.98 -1.22 115.31 120.48 3iwg h LEU 74 Ca 0.00 -0.41 -0.07 0.00 -0.12 0.00 0.00 57.88 57.28 3iwg h LEU 74 Cb 0.00 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 3iwg h LEU 74 CO 0.00 1.15 0.06 0.00 -0.62 0.00 0.00 178.44 179.04 3iwg h SER 76 N 0.82 -0.57 -0.79 0.00 0.87 0.30 -0.09 113.55 114.09 3iwg h SER 76 Ca 0.16 0.11 0.12 0.00 -1.23 0.00 0.00 61.79 60.95 3iwg h SER 76 Cb 0.45 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 62.60 3iwg h SER 76 CO 0.02 -0.22 0.39 1.56 -0.53 0.00 0.00 176.83 178.05 3iwg h GLN 77 N -0.20 0.59 -0.05 2.24 4.20 -1.09 -0.35 115.11 120.46 3iwg h GLN 77 Ca 0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3iwg h GLN 77 Cb 0.37 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3iwg h GLN 77 CO -0.30 0.39 -0.07 1.49 -0.67 0.00 0.00 178.83 179.67 3iwg h GLU 78 N 0.61 0.14 -0.20 1.46 4.81 -0.99 -2.29 114.58 118.12 3iwg h GLU 78 Ca 0.41 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 3iwg h GLU 78 Cb 0.52 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3iwg h GLU 78 CO -0.32 0.62 -0.37 1.25 -0.73 0.00 0.00 179.01 179.45 3iwg h LEU 79 N -0.34 -1.17 -0.69 1.64 5.85 -0.85 -0.87 115.31 118.89 3iwg h LEU 79 Ca 0.01 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3iwg h LEU 79 Cb 0.60 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 3iwg h LEU 79 CO 0.02 -0.38 0.39 0.15 -0.34 0.00 0.00 178.44 178.27 3iwg h PHE 80 N -0.40 0.71 -0.50 1.25 3.57 -1.06 -0.70 116.94 119.80 3iwg h PHE 80 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3iwg h PHE 80 Cb 0.58 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3iwg h PHE 80 CO -0.48 0.34 0.29 1.15 -2.23 0.00 0.00 178.31 177.39 3iwg h THR 81 N 0.72 1.16 -0.07 4.41 2.02 -1.16 0.18 112.91 120.18 3iwg h THR 81 Ca 0.31 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 67.13 3iwg h THR 81 Cb 0.18 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 3iwg h THR 81 CO -0.18 0.17 -0.44 0.25 0.37 0.00 0.00 175.52 175.69 3iwg h LEU 82 N 0.67 -1.36 -0.44 2.58 5.85 -0.55 0.35 115.31 122.42 3iwg h LEU 82 Ca 0.18 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 3iwg h LEU 82 Cb 0.02 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3iwg h LEU 82 CO -0.03 -0.45 0.23 0.40 -0.34 0.00 0.00 178.44 178.25 3iwg h ILE 83 N -0.55 1.17 0.00 4.05 2.04 -0.83 -0.33 117.51 123.06 3iwg h ILE 83 Ca 0.06 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 3iwg h ILE 83 Cb 0.65 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3iwg h ILE 83 CO -0.37 0.18 -0.42 0.77 0.00 0.00 0.00 178.15 178.31 3iwg h SER 84 N 0.58 0.00 -0.45 1.72 4.64 -0.54 -2.70 113.55 116.80 3iwg h SER 84 Ca 0.15 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3iwg h SER 84 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 3iwg h SER 84 CO -0.02 0.42 0.13 0.00 -0.87 0.00 0.00 176.83 176.49 3iwg n GLN 85 N -4.03 2.98 -1.03 4.77 1.13 0.12 -4.76 117.38 116.56 3iwg n GLN 85 Ca -0.02 -1.99 -0.01 0.00 -1.94 0.00 0.00 57.00 53.04 3iwg n GLN 85 Cb 0.45 -1.92 -0.00 0.00 0.11 0.00 0.00 30.24 28.87 3iwg n GLN 85 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3iwg n GLN 86 N 0.11 -0.63 0.00 -1.09 1.13 -1.02 -4.87 117.38 111.01 3iwg n GLN 86 Ca 0.24 0.25 0.14 0.00 -1.94 0.00 0.00 57.00 55.68 3iwg n GLN 86 Cb 0.98 -3.78 0.50 0.00 0.11 0.00 0.00 30.24 28.06 3iwg n GLN 86 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3iwg n ASN 87 N -0.16 0.74 -4.52 1.08 4.13 -0.17 -4.70 115.26 111.66 3iwg n ASN 87 Ca -0.01 -0.73 -0.43 0.00 1.68 0.00 0.00 54.58 55.09 3iwg n ASN 87 Cb 0.17 0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.37 3iwg n ASN 87 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3iwg s SER 88 N -2.48 6.35 0.49 6.41 0.15 -1.26 -4.90 113.70 118.47 3iwg s SER 88 Ca 0.27 -0.28 0.25 0.00 0.70 0.00 0.00 55.95 56.90 3iwg s SER 88 Cb 0.20 -2.35 1.32 0.00 -1.71 0.00 0.00 66.02 63.48 3iwg s SER 88 CO 0.49 -0.85 1.89 0.77 1.20 0.00 0.00 173.24 176.74 3iwg h SER 89 N 8.93 0.16 0.42 5.45 4.64 -1.92 0.81 113.55 132.04 3iwg h SER 89 Ca -0.25 0.02 -0.30 0.00 -0.47 0.00 0.00 61.79 60.78 3iwg h SER 89 Cb 1.09 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 3iwg h SER 89 CO 0.93 0.06 -1.79 0.55 -0.87 0.00 0.00 176.83 175.71 3iwg n VAL 90 N -4.38 1.59 -0.01 0.95 3.14 -1.26 -4.04 118.33 114.33 3iwg n VAL 90 Ca 0.18 -0.80 -0.13 0.00 -2.96 0.00 0.00 64.34 60.63 3iwg n VAL 90 Cb 0.82 -1.01 -0.14 0.00 -1.06 0.00 0.00 33.84 32.45 3iwg n VAL 90 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3iwg h ILE 91 N 0.00 0.79 0.00 1.55 2.04 -1.94 -3.48 117.51 116.48 3iwg h ILE 91 Ca -0.32 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 62.95 3iwg h ILE 91 Cb 2.04 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 3iwg h ILE 91 CO 0.07 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.49 3iwg n GLY 92 N 1.71 -0.46 3.62 5.37 0.00 0.27 -4.80 105.19 110.91 3iwg n GLY 92 Ca -0.22 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 3iwg n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwg s GLU 93 N 0.00 3.73 -0.20 1.61 2.02 -1.26 -4.62 118.70 119.97 3iwg s GLU 93 Ca 0.00 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.52 3iwg s GLU 93 Cb 0.00 -4.05 -0.00 0.00 0.10 0.00 0.00 34.13 30.18 3iwg s GLU 93 CO 0.00 -1.38 -0.09 0.08 0.02 0.00 0.00 175.26 173.90 3iwg s VAL 94 N 5.39 3.08 0.07 2.63 1.01 -1.26 -4.83 120.40 126.47 3iwg s VAL 94 Ca 0.71 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3iwg s VAL 94 Cb -0.23 -2.37 -0.28 0.00 0.00 0.00 0.00 36.38 33.49 3iwg s VAL 94 CO 0.30 0.46 1.11 0.11 0.00 0.00 0.00 175.10 177.08 3iwg h LYS 95 N 7.88 0.27 0.00 2.72 1.57 -1.40 -3.45 116.57 124.15 3iwg h LYS 95 Ca -0.40 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 57.92 3iwg h LYS 95 Cb 1.16 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3iwg h LYS 95 CO 0.60 1.21 0.00 0.41 -0.57 0.00 0.00 179.45 181.10 3iwg n GLY 96 N 1.55 1.07 3.30 3.86 0.00 -1.24 0.04 105.19 113.78 3iwg n GLY 96 Ca -0.09 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 3iwg n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwg s ALA 97 N -1.00 -1.00 -0.15 4.61 0.00 0.06 -1.75 121.76 122.53 3iwg s ALA 97 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 3iwg s ALA 97 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3iwg s ALA 97 CO 0.00 -0.29 -0.09 -0.06 0.00 0.00 0.00 175.76 175.32 3iwg s PHE 98 N -1.32 2.90 -0.04 0.00 0.08 -0.60 -0.77 117.98 118.23 3iwg s PHE 98 Ca -0.13 -0.53 -0.14 0.00 0.12 0.00 0.00 56.93 56.25 3iwg s PHE 98 Cb -0.04 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3iwg s PHE 98 CO 0.05 -0.17 0.31 0.54 -0.10 0.00 0.00 175.22 175.86 3iwg s VAL 99 N 0.43 0.04 0.34 -0.44 0.11 -0.70 -4.45 120.40 115.74 3iwg s VAL 99 Ca -0.07 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 3iwg s VAL 99 Cb -0.15 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3iwg s VAL 99 CO 0.04 -0.20 0.52 -0.94 -3.33 0.00 0.00 175.10 171.19 3iwg s SER 100 N -0.95 6.16 0.00 3.54 1.04 -1.26 -0.85 113.70 121.38 3iwg s SER 100 Ca -0.10 0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.63 3iwg s SER 100 Cb -0.05 -1.78 0.24 0.00 0.10 0.00 0.00 66.02 64.54 3iwg s SER 100 CO 0.03 -0.34 1.14 0.35 0.98 0.00 0.00 173.24 175.40 3iwg n THR 101 N -1.74 1.47 1.36 2.02 -2.24 -0.73 -1.44 114.28 112.98 3iwg n THR 101 Ca -0.04 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.24 3iwg n THR 101 Cb 0.57 -1.27 0.43 0.00 -2.10 0.00 0.00 70.33 67.96 3iwg n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwg n ALA 102 N -1.45 2.55 -3.75 6.98 0.00 -1.26 -4.62 120.51 118.95 3iwg n ALA 102 Ca 0.02 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 3iwg n ALA 102 Cb 0.06 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 3iwg n ALA 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3iwg s GLU 103 N -1.96 2.92 0.06 0.00 2.02 -0.52 -1.40 118.70 119.82 3iwg s GLU 103 Ca 0.36 -3.30 -0.25 0.00 0.02 0.00 0.00 54.97 51.79 3iwg s GLU 103 Cb 0.20 -3.73 -0.17 0.00 0.10 0.00 0.00 34.13 30.54 3iwg s GLU 103 CO 0.32 -1.27 1.60 -0.07 0.02 0.00 0.00 175.26 175.86 3iwg h LEU 104 N 5.76 -0.17 -0.10 1.80 3.38 -1.82 0.11 115.31 124.27 3iwg h LEU 104 Ca 0.15 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iwg h LEU 104 Cb 0.79 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3iwg h LEU 104 CO 0.80 -0.03 0.05 0.78 0.09 0.00 0.00 178.44 180.13 3iwg h ASN 105 N -0.31 0.13 -0.35 -0.43 4.21 -1.96 0.95 115.58 117.81 3iwg h ASN 105 Ca -0.02 -0.12 0.03 0.00 1.21 0.00 0.00 56.30 57.40 3iwg h ASN 105 Cb 0.25 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.38 3iwg h ASN 105 CO 0.03 0.21 0.16 0.22 -1.29 0.00 0.00 177.43 176.76 3iwg h TYR 106 N 0.04 0.30 -0.89 1.19 3.20 -1.80 -1.58 116.97 117.43 3iwg h TYR 106 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3iwg h TYR 106 Cb 0.11 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3iwg h TYR 106 CO -0.03 0.15 0.57 0.37 -1.64 0.00 0.00 178.16 177.58 3iwg h GLN 107 N 0.34 1.18 -0.61 1.82 4.15 -0.49 -2.00 115.11 119.49 3iwg h GLN 107 Ca 0.15 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3iwg h GLN 107 Cb 0.08 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 3iwg h GLN 107 CO -0.12 0.80 0.40 0.00 -1.93 0.00 0.00 178.83 177.98 3iwg h ALA 108 N 1.31 0.78 -0.08 3.38 0.00 0.17 0.94 119.26 125.76 3iwg h ALA 108 Ca 0.32 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3iwg h ALA 108 Cb -0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3iwg h ALA 108 CO -0.07 0.18 -0.71 -0.07 0.00 0.00 0.00 179.25 178.58 3iwg h LEU 109 N 0.80 0.47 -0.11 0.00 3.38 -1.12 -1.58 115.31 117.14 3iwg h LEU 109 Ca 0.23 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3iwg h LEU 109 Cb -0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3iwg h LEU 109 CO -0.07 1.03 -0.07 0.00 0.09 0.00 0.00 178.44 179.42 3iwg h LEU 111 N -0.08 0.12 -1.64 0.00 3.38 -0.47 0.58 115.31 117.22 3iwg h LEU 111 Ca 0.07 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3iwg h LEU 111 Cb 0.18 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iwg h LEU 111 CO -0.16 0.10 -0.20 0.44 0.09 0.00 0.00 178.44 178.71 3iwg h ASP 112 N 0.31 0.00 -0.06 -0.43 3.32 -0.83 -3.23 116.42 115.49 3iwg h ASP 112 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3iwg h ASP 112 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3iwg h ASP 112 CO -0.25 0.20 0.00 0.59 -1.72 0.00 0.00 179.24 178.06 3iwg n ASN 113 N -4.14 1.79 -4.95 6.45 3.02 -0.66 -5.02 115.26 111.75 3iwg n ASN 113 Ca -0.02 -1.57 -0.21 0.00 -0.03 0.00 0.00 54.58 52.75 3iwg n ASN 113 Cb 0.27 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 3iwg n ASN 113 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3iwg s SER 114 N -0.64 6.22 -0.22 6.41 0.01 0.11 -2.92 113.70 122.66 3iwg s SER 114 Ca 0.06 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.29 3iwg s SER 114 Cb 0.04 -1.80 -0.11 0.00 0.21 0.00 0.00 66.02 64.35 3iwg s SER 114 CO 0.05 -0.06 -0.24 0.00 0.41 0.00 0.00 173.24 173.39 3iwg n ALA 115 N -1.37 1.56 -2.27 1.44 0.00 0.44 -4.69 120.51 115.62 3iwg n ALA 115 Ca -0.09 -0.88 -0.15 0.00 0.00 0.00 0.00 53.44 52.32 3iwg n ALA 115 Cb 0.57 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 3iwg n ALA 115 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iwg s THR 116 N -2.41 0.00 0.16 0.00 -4.23 -1.24 -5.02 115.64 102.90 3iwg s THR 116 Ca -0.30 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.03 3iwg s THR 116 Cb 0.10 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.50 3iwg s THR 116 CO 0.43 0.00 0.54 0.72 -0.54 0.00 0.00 174.62 175.77 3iwg s PHE 117 N -3.83 -0.40 0.08 3.99 -0.71 -1.26 -2.14 117.98 113.70 3iwg s PHE 117 Ca 0.39 0.15 -0.09 0.00 -1.04 0.00 0.00 56.93 56.34 3iwg s PHE 117 Cb 0.05 0.46 -0.00 0.00 -1.21 0.00 0.00 43.02 42.32 3iwg s PHE 117 CO 0.19 -0.82 0.19 -1.59 -1.34 0.00 0.00 175.22 171.84 3iwg s LYS 118 N -3.78 0.83 -0.04 1.99 -2.85 -0.03 -4.98 119.74 110.88 3iwg s LYS 118 Ca 0.02 -0.94 -0.25 0.00 -1.00 0.00 0.00 55.97 53.81 3iwg s LYS 118 Cb -0.00 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 3iwg s LYS 118 CO -0.12 -0.26 0.76 0.08 0.10 0.00 0.00 175.35 175.91 3iwg s VAL 119 N -3.77 4.98 -0.22 1.79 1.01 -1.26 0.28 120.40 123.20 3iwg s VAL 119 Ca 0.04 1.58 -0.19 0.00 0.00 0.00 0.00 61.98 63.41 3iwg s VAL 119 Cb 0.04 -4.10 -0.16 0.00 0.00 0.00 0.00 36.38 32.16 3iwg s VAL 119 CO -0.11 0.24 0.05 -3.20 0.00 0.00 0.00 175.10 172.08 3iwg n ASN 120 N 3.71 1.88 -3.89 3.32 5.15 0.16 -4.75 115.26 120.85 3iwg n ASN 120 Ca 0.00 0.41 -0.08 0.00 -0.60 0.00 0.00 54.58 54.31 3iwg n ASN 120 Cb 0.51 -0.92 -0.03 0.00 -0.53 0.00 0.00 39.78 38.81 3iwg n ASN 120 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3iwg s SER 121 N -6.92 -0.21 0.00 1.20 1.04 -1.01 -2.05 113.70 105.75 3iwg s SER 121 Ca -0.30 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3iwg s SER 121 Cb 0.08 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3iwg s SER 121 CO 0.54 -1.25 0.00 0.18 0.98 0.00 0.00 173.24 173.70 3iwg n LEU 122 N -0.42 0.00 -3.59 2.42 4.32 0.40 -0.88 117.00 119.25 3iwg n LEU 122 Ca -0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.89 3iwg n LEU 122 Cb 0.60 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.37 3iwg n LEU 122 CO 0.18 0.00 0.96 -0.31 -1.22 0.00 0.00 177.39 176.99 3iwg s TYR 124 N 1.81 -0.18 0.11 -1.77 1.51 -0.15 -2.43 117.35 116.24 3iwg s TYR 124 Ca 0.00 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 3iwg s TYR 124 Cb 0.00 0.50 -0.04 0.00 -0.11 0.00 0.00 41.96 42.31 3iwg s TYR 124 CO 0.00 -0.23 -0.09 -1.14 -1.11 0.00 0.00 175.55 172.98 3iwg s GLN 125 N -1.90 0.89 -0.01 -0.62 0.74 0.61 -2.93 119.66 116.43 3iwg s GLN 125 Ca 0.06 -1.27 -0.19 0.00 0.05 0.00 0.00 55.36 54.02 3iwg s GLN 125 Cb -0.01 -0.46 -0.05 0.00 1.10 0.00 0.00 33.01 33.59 3iwg s GLN 125 CO -0.04 0.05 0.54 -1.58 -0.55 0.00 0.00 175.29 173.71 3iwg s HIS 126 N -2.96 3.68 -0.21 1.67 5.65 -1.04 -1.29 115.29 120.79 3iwg s HIS 126 Ca 0.10 1.13 -0.00 0.00 0.25 0.00 0.00 55.06 56.53 3iwg s HIS 126 Cb 0.01 -2.54 0.02 0.00 -1.18 0.00 0.00 32.58 28.89 3iwg s HIS 126 CO -0.01 0.40 -0.14 1.21 -0.65 0.00 0.00 174.74 175.55 3iwg s ASN 127 N -0.31 3.73 0.36 9.88 2.47 -0.76 -4.94 114.94 125.36 3iwg s ASN 127 Ca 0.29 -0.76 0.07 0.00 0.42 0.00 0.00 52.86 52.88 3iwg s ASN 127 Cb -0.18 -1.57 0.77 0.00 -1.45 0.00 0.00 41.25 38.83 3iwg s ASN 127 CO 0.16 -0.06 1.92 0.74 -3.72 0.00 0.00 177.10 176.14 3iwg h THR 128 N 6.06 0.94 0.00 -5.21 2.02 -1.97 -1.12 112.91 113.62 3iwg h THR 128 Ca -0.39 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.42 3iwg h THR 128 Cb 1.12 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3iwg h THR 128 CO 0.60 0.13 -0.55 0.11 0.37 0.00 0.00 175.52 176.18 3iwg h LYS 129 N 0.74 0.00 0.00 6.66 1.57 -1.96 -3.03 116.57 120.55 3iwg h LYS 129 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3iwg h LYS 129 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3iwg h LYS 129 CO -0.15 0.55 0.00 -0.07 -0.57 0.00 0.00 179.45 179.21 3iwg h LEU 130 N 0.00 0.00-10.60 2.94 -0.00 -1.49 -3.52 115.31 102.64 3iwg h LEU 130 Ca -0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.42 3iwg h LEU 130 Cb 1.04 0.00 0.08 0.00 -0.00 0.00 0.00 40.66 41.78 3iwg h LEU 130 CO 0.07 0.00 0.20 0.00 -0.00 0.00 0.00 178.44 178.71 3iwg s ALA 131 N -3.44 3.22 -1.22 1.53 0.00 -1.15 -4.55 121.76 116.16 3iwg s ALA 131 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3iwg s ALA 131 Cb 0.09 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3iwg s ALA 131 CO 0.53 -1.35 0.60 -1.71 0.00 0.00 0.00 175.76 173.83 3iwg n ASN 134 N -2.92 0.77 -4.54 0.00 4.05 -1.26 -5.00 115.26 106.36 3iwg n ASN 134 Ca 0.09 -1.97 -0.36 0.00 0.45 0.00 0.00 54.58 52.80 3iwg n ASN 134 Cb 0.60 -0.38 0.08 0.00 1.23 0.00 0.00 39.78 41.31 3iwg n ASN 134 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3iwg n LEU 135 N -0.10 2.23 0.00 1.20 7.94 -1.26 -5.25 117.00 121.75 3iwg n LEU 135 Ca 0.00 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 3iwg n LEU 135 Cb 0.19 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 42.82 3iwg n LEU 135 CO 0.00 -2.55 0.00 -0.62 -1.11 0.00 0.00 177.39 173.11 3iwg n GLU 136 N -1.41 -0.01 -3.79 1.96 1.02 -1.26 -5.19 120.64 111.97 3iwg n GLU 136 Ca 0.11 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.17 3iwg n GLU 136 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 3iwg n GLU 136 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3iwg s ILE 138 N -0.53 0.00 0.55 -3.67 -4.36 -1.26 -4.88 121.20 107.05 3iwg s ILE 138 Ca 0.00 -0.85 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 3iwg s ILE 138 Cb 0.00 -1.80 0.03 0.00 1.25 0.00 0.00 42.46 41.94 3iwg s ILE 138 CO 0.00 -0.02 0.22 0.47 0.24 0.00 0.00 174.94 175.86 3iwg n ASP 139 N -0.42 3.12 -3.69 4.36 8.00 -1.26 -4.92 116.55 121.73 3iwg n ASP 139 Ca -0.07 -3.12 -0.14 0.00 0.71 0.00 0.00 54.79 52.17 3iwg n ASP 139 Cb 0.61 0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 41.78 3iwg n ASP 139 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3iwg s GLN 141 N -4.12 0.74 0.10 -1.24 1.11 -0.07 -4.69 119.66 111.49 3iwg s GLN 141 Ca 0.17 0.04 -0.31 0.00 0.01 0.00 0.00 55.36 55.27 3iwg s GLN 141 Cb -0.01 0.34 -0.09 0.00 -1.01 0.00 0.00 33.01 32.24 3iwg s GLN 141 CO 0.11 -0.20 1.58 -1.50 0.01 0.00 0.00 175.29 175.28 3iwg s ILE 142 N -1.06 2.98 0.12 1.08 1.10 -1.26 -1.03 121.20 123.13 3iwg s ILE 142 Ca -0.11 0.57 -0.31 0.00 -0.51 0.00 0.00 60.65 60.29 3iwg s ILE 142 Cb -0.04 -3.36 -0.10 0.00 0.15 0.00 0.00 42.46 39.11 3iwg s ILE 142 CO 0.05 0.02 1.75 0.00 -2.11 0.00 0.00 174.94 174.65 3iwg s ALA 143 N 1.94 3.76 0.31 1.50 0.00 0.01 -4.89 121.76 124.38 3iwg s ALA 143 Ca 0.71 1.39 0.02 0.00 0.00 0.00 0.00 51.96 54.08 3iwg s ALA 143 Cb -0.40 -3.73 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 3iwg s ALA 143 CO 0.31 -1.13 0.49 0.20 0.00 0.00 0.00 175.76 175.63 3iwg s GLY 144 N 2.36 1.34 0.21 0.00 0.00 -1.26 -4.87 107.32 105.10 3iwg s GLY 144 Ca 0.78 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 3iwg s GLY 144 CO 0.34 -0.95 1.61 -0.84 0.00 0.00 0.00 173.10 173.27 3iwg h THR 145 N 0.92 0.30 0.00 0.90 2.02 -1.95 -0.30 112.91 114.80 3iwg h THR 145 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3iwg h THR 145 Cb 1.22 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3iwg h THR 145 CO 0.62 0.00 0.02 -0.33 0.37 0.00 0.00 175.52 176.19 3iwg h GLU 146 N -0.04 0.00 -0.01 6.66 3.07 -2.03 -1.69 114.58 120.55 3iwg h GLU 146 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3iwg h GLU 146 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3iwg h GLU 146 CO -0.68 0.00 -0.04 1.04 -1.40 0.00 0.00 179.01 177.93 3iwg n GLN 147 N -3.01 1.33 0.15 2.33 6.02 -0.12 -4.51 117.38 119.56 3iwg n GLN 147 Ca -0.03 -0.63 -0.14 0.00 -0.01 0.00 0.00 57.00 56.20 3iwg n GLN 147 Cb 0.08 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.79 3iwg n GLN 147 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3iwg h LEU 148 N 1.54 -0.81 -0.99 1.08 5.85 -1.34 -1.54 115.31 119.11 3iwg h LEU 148 Ca 0.00 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.94 3iwg h LEU 148 Cb 0.38 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 3iwg h LEU 148 CO 0.00 -0.39 0.61 0.00 -0.34 0.00 0.00 178.44 178.32 3iwg h THR 149 N -0.55 0.87 -0.53 1.05 1.03 -1.82 -0.31 112.91 112.65 3iwg h THR 149 Ca 0.01 -0.32 -0.06 0.00 -0.01 0.00 0.00 66.41 66.04 3iwg h THR 149 Cb 0.54 -0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 67.47 3iwg h THR 149 CO -0.12 0.17 0.08 0.00 -0.01 0.00 0.00 175.52 175.64 3iwg h ALA 150 N 1.55 1.15 -0.45 0.00 0.00 -1.63 -0.19 119.26 119.70 3iwg h ALA 150 Ca 0.50 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3iwg h ALA 150 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iwg h ALA 150 CO -0.29 0.56 -0.25 0.74 0.00 0.00 0.00 179.25 180.01 3iwg h PHE 151 N 0.79 1.10 0.06 0.00 0.04 -0.25 -1.06 116.94 117.64 3iwg h PHE 151 Ca 0.17 -0.28 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3iwg h PHE 151 Cb 0.36 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3iwg h PHE 151 CO 0.02 1.10 -0.03 0.28 -0.60 0.00 0.00 178.31 179.08 3iwg h VAL 152 N 0.82 1.01 -0.91 -0.55 2.07 -0.84 0.18 116.25 118.02 3iwg h VAL 152 Ca 0.10 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.46 3iwg h VAL 152 Cb 0.83 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 3iwg h VAL 152 CO 0.07 0.06 0.59 0.74 0.02 0.00 0.00 177.57 179.05 3iwg h THR 153 N -0.20 0.97 -0.18 2.57 2.02 -1.04 -0.66 112.91 116.40 3iwg h THR 153 Ca -0.01 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 3iwg h THR 153 Cb 0.17 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3iwg h THR 153 CO 0.01 0.17 -0.02 0.15 0.37 0.00 0.00 175.52 176.20 3iwg h PHE 154 N 0.92 0.37 -0.18 3.16 3.04 -0.71 -2.06 116.94 121.48 3iwg h PHE 154 Ca 0.42 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 62.24 3iwg h PHE 154 Cb 0.39 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3iwg h PHE 154 CO -0.00 0.57 -0.12 0.00 -2.02 0.00 0.00 178.31 176.73 3iwg h ALA 155 N 0.75 0.25 -0.56 2.41 0.00 -0.56 -2.53 119.26 119.02 3iwg h ALA 155 Ca 0.05 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.76 3iwg h ALA 155 Cb 0.44 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 3iwg h ALA 155 CO 0.01 0.11 0.06 0.00 0.00 0.00 0.00 179.25 179.44 3iwg h ALA 156 N 0.66 0.60 0.00 0.00 0.00 -1.19 0.36 119.26 119.69 3iwg h ALA 156 Ca 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iwg h ALA 156 Cb 0.63 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3iwg h ALA 156 CO 0.03 -0.35 -0.18 0.00 0.00 0.00 0.00 179.25 178.76 3iwg h ALA 157 N 1.47 1.04 0.00 0.00 0.00 -1.24 -1.54 119.26 119.00 3iwg h ALA 157 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iwg h ALA 157 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3iwg h ALA 157 CO -0.42 0.22 -1.51 0.09 0.00 0.00 0.00 179.25 177.63 3iwg n ASN 158 N -3.37 2.60 0.00 0.00 3.02 -0.60 -4.60 115.26 112.31 3iwg n ASN 158 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3iwg n ASN 158 Cb 0.39 1.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.91 3iwg n ASN 158 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3iwg n ILE 159 N -1.95 0.00 -1.09 2.41 -5.35 0.12 -4.92 119.36 108.57 3iwg n ILE 159 Ca -0.04 -0.36 -0.03 0.00 -0.27 0.00 0.00 62.75 62.04 3iwg n ILE 159 Cb 0.37 1.19 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 3iwg n ILE 159 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iwg n GLY 160 N 0.21 0.55 3.70 3.28 0.00 -0.58 -5.01 105.19 107.35 3iwg n GLY 160 Ca 0.00 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3iwg n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwg s ALA 161 N -1.82 1.77 0.27 4.61 0.00 -1.26 -4.95 121.76 120.38 3iwg s ALA 161 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3iwg s ALA 161 Cb 0.00 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3iwg s ALA 161 CO 0.00 -2.37 0.97 -2.14 0.00 0.00 0.00 175.76 172.22 3iwg s PRO 162 N -4.46 4.73 0.19 0.00 0.02 -1.26 -4.48 135.00 129.74 3iwg s PRO 162 Ca 0.68 1.50 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 3iwg s PRO 162 Cb -0.24 -3.12 0.11 0.00 0.02 0.00 0.00 34.50 31.28 3iwg s PRO 162 CO 0.54 0.39 1.78 0.93 -0.33 0.00 0.00 177.00 180.31 3iwg h GLU 163 N 3.79 0.99 -0.21 5.54 5.08 -1.93 -0.72 114.58 127.12 3iwg h GLU 163 Ca -0.46 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 3iwg h GLU 163 Cb 1.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3iwg h GLU 163 CO 0.67 0.78 0.08 0.37 -1.00 0.00 0.00 179.01 179.91 3iwg h GLN 164 N 0.95 0.32 -0.43 2.33 5.75 -2.00 0.84 115.11 122.87 3iwg h GLN 164 Ca 0.23 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3iwg h GLN 164 Cb 0.12 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 3iwg h GLN 164 CO -0.03 0.38 0.26 2.35 -2.65 0.00 0.00 178.83 179.14 3iwg h TRP 165 N 0.19 0.56 -0.36 3.99 7.01 -1.92 -2.77 115.95 122.65 3iwg h TRP 165 Ca 0.07 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 3iwg h TRP 165 Cb 0.18 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3iwg h TRP 165 CO -0.01 0.39 0.07 -0.07 -2.79 0.00 0.00 178.44 176.03 3iwg h LEU 166 N 0.57 0.49 -0.67 0.65 4.07 -0.77 0.54 115.31 120.20 3iwg h LEU 166 Ca 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 3iwg h LEU 166 Cb -0.01 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 3iwg h LEU 166 CO -0.03 0.51 0.38 0.74 -1.08 0.00 0.00 178.44 178.96 3iwg h THR 167 N 0.52 1.20 -0.07 0.22 2.02 -0.56 0.82 112.91 117.07 3iwg h THR 167 Ca 0.12 -0.49 -0.24 0.00 0.77 0.00 0.00 66.41 66.58 3iwg h THR 167 Cb 0.23 0.31 0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3iwg h THR 167 CO -0.00 0.22 -0.88 1.56 0.37 0.00 0.00 175.52 176.78 3iwg h GLN 168 N 0.91 0.72 0.08 6.66 1.08 -1.23 0.20 115.11 123.54 3iwg h GLN 168 Ca 0.24 -0.68 -0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3iwg h GLN 168 Cb 0.01 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3iwg h GLN 168 CO -0.04 1.27 -0.04 -0.92 -0.95 0.00 0.00 178.83 178.15 3iwg h TYR 169 N 0.41 -0.10 -0.13 2.96 3.20 -0.55 -1.42 116.97 121.34 3iwg h TYR 169 Ca -0.09 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.65 3iwg h TYR 169 Cb 1.53 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 3iwg h TYR 169 CO 0.10 0.22 -0.47 1.88 -1.64 0.00 0.00 178.16 178.25 3iwg h TYR 170 N -0.44 0.39 -0.52 -3.82 0.05 -0.96 -1.78 116.97 109.89 3iwg h TYR 170 Ca -0.01 -0.12 0.09 0.00 0.05 0.00 0.00 58.73 58.74 3iwg h TYR 170 Cb 0.37 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 37.96 3iwg h TYR 170 CO 0.03 0.73 0.07 0.78 -1.05 0.00 0.00 178.16 178.73 3iwg h GLY 171 N 1.25 0.60 1.16 3.88 0.00 -0.81 0.53 103.07 109.68 3iwg h GLY 171 Ca 0.02 0.01 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 3iwg h GLY 171 CO 0.08 -0.10 -0.36 -0.57 0.00 0.00 0.00 176.54 175.58 3iwg h ASN 172 N 0.20 0.99 -0.26 0.19 -1.24 -1.07 -2.14 115.58 112.25 3iwg h ASN 172 Ca 0.26 -0.44 -0.08 0.00 0.71 0.00 0.00 56.30 56.75 3iwg h ASN 172 Cb 0.38 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3iwg h ASN 172 CO -0.37 1.23 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.82 3iwg h LEU 173 N 0.77 0.65 -0.59 0.34 4.07 -0.64 -1.67 115.31 118.22 3iwg h LEU 173 Ca 0.07 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 57.79 3iwg h LEU 173 Cb 0.95 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 3iwg h LEU 173 CO 0.09 0.79 0.16 0.40 -1.08 0.00 0.00 178.44 178.80 3iwg h ILE 174 N 0.60 1.25 -0.10 1.22 2.04 -0.66 0.61 117.51 122.47 3iwg h ILE 174 Ca 0.11 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3iwg h ILE 174 Cb 0.55 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3iwg h ILE 174 CO 0.03 0.33 -0.00 -0.33 0.00 0.00 0.00 178.15 178.18 3iwg h GLU 175 N 0.86 0.14 -0.01 2.37 5.08 -0.97 -2.21 114.58 119.84 3iwg h GLU 175 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3iwg h GLU 175 Cb 0.33 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3iwg h GLU 175 CO -0.00 0.16 -0.10 0.54 -1.00 0.00 0.00 179.01 178.60 3iwg n ARG 176 N -4.45 1.23 -3.60 2.33 1.74 -0.32 -4.93 116.66 108.66 3iwg n ARG 176 Ca -0.01 -0.67 -0.20 0.00 -0.77 0.00 0.00 57.85 56.20 3iwg n ARG 176 Cb 0.14 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.15 3iwg n ARG 176 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3iwg n LYS 177 N -0.30 -5.60 -0.00 5.56 5.02 0.06 -4.93 118.16 117.96 3iwg n LYS 177 Ca 0.16 0.71 0.02 0.00 -2.02 0.00 0.00 58.31 57.18 3iwg n LYS 177 Cb 0.33 -5.45 0.02 0.00 -0.02 0.00 0.00 35.03 29.91 3iwg n LYS 177 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iwg n GLU 178 N -4.23 -0.42 -4.84 1.97 1.02 -0.44 -4.95 120.64 108.75 3iwg n GLU 178 Ca -0.29 -0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 55.78 3iwg n GLU 178 Cb 0.67 -1.08 -0.14 0.00 -0.02 0.00 0.00 31.44 30.88 3iwg n GLU 178 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3iwg s LEU 179 N -0.34 2.73 0.06 -4.62 2.96 -1.26 -1.62 118.68 116.60 3iwg s LEU 179 Ca 0.05 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 3iwg s LEU 179 Cb 0.03 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3iwg s LEU 179 CO 0.05 0.27 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.87 3iwg s PHE 180 N -0.25 0.99 0.02 5.38 0.40 0.28 -0.81 117.98 123.98 3iwg s PHE 180 Ca 0.01 -0.50 0.08 0.00 -0.60 0.00 0.00 56.93 55.92 3iwg s PHE 180 Cb -0.13 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 3iwg s PHE 180 CO 0.03 -0.00 -0.22 0.20 0.70 0.00 0.00 175.22 175.92 3iwg s GLY 181 N -1.75 1.16 -0.31 4.36 0.00 -0.19 -0.77 107.32 109.82 3iwg s GLY 181 Ca -0.04 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 43.54 3iwg s GLY 181 CO 0.01 -0.94 0.10 -0.47 0.00 0.00 0.00 173.10 171.80 3iwg s TYR 182 N -0.69 3.17 -0.08 1.90 5.04 -0.40 -0.90 117.35 125.40 3iwg s TYR 182 Ca 0.09 -1.00 0.00 0.00 -2.44 0.00 0.00 57.07 53.72 3iwg s TYR 182 Cb -0.09 -2.28 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 3iwg s TYR 182 CO 0.01 -0.59 -0.07 -1.58 -1.34 0.00 0.00 175.55 171.98 3iwg s TRP 183 N 1.50 2.95 -0.14 4.97 0.52 -1.26 -0.32 118.94 127.16 3iwg s TRP 183 Ca 0.02 -0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.11 3iwg s TRP 183 Cb -0.18 -1.73 0.04 0.00 -1.15 0.00 0.00 33.47 30.46 3iwg s TRP 183 CO 0.03 0.30 0.02 -1.58 0.02 0.00 0.00 176.95 175.74 3iwg s HIS 184 N -0.70 0.82 -1.31 -1.98 2.46 -0.19 -4.90 115.29 109.49 3iwg s HIS 184 Ca 0.11 -0.50 -0.10 0.00 0.47 0.00 0.00 55.06 55.04 3iwg s HIS 184 Cb -0.11 -0.91 0.00 0.00 -0.13 0.00 0.00 32.58 31.43 3iwg s HIS 184 CO 0.02 -0.47 0.54 1.63 -2.47 0.00 0.00 174.74 173.99 3iwg n LYS 185 N 5.11 -2.30 -0.17 2.88 5.02 -1.26 -2.30 118.16 125.14 3iwg n LYS 185 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3iwg n LYS 185 Cb 0.49 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.30 3iwg n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iwg n GLY 186 N -1.92 1.62 3.28 0.72 0.00 -1.26 -5.02 105.19 102.61 3iwg n GLY 186 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3iwg n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwg s LYS 187 N -0.36 1.23 -0.01 1.61 -2.85 -0.97 -5.10 119.74 113.28 3iwg s LYS 187 Ca 0.00 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 53.57 3iwg s LYS 187 Cb 0.00 -1.46 -0.05 0.00 -2.06 0.00 0.00 37.83 34.26 3iwg s LYS 187 CO 0.00 0.35 1.27 -0.51 0.10 0.00 0.00 175.35 176.56 3iwg s LEU 188 N -1.68 4.31 -0.02 2.77 1.43 -1.26 -1.02 118.68 123.22 3iwg s LEU 188 Ca 0.07 1.97 0.20 0.00 -1.03 0.00 0.00 54.13 55.34 3iwg s LEU 188 Cb -0.10 -3.56 -0.27 0.00 0.03 0.00 0.00 46.19 42.29 3iwg s LEU 188 CO 0.04 -0.60 0.62 0.18 0.23 0.00 0.00 176.35 176.82 3iwg n LEU 189 N 4.93 0.41 -3.55 1.79 4.77 0.56 -4.80 117.00 121.11 3iwg n LEU 189 Ca 0.11 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 3iwg n LEU 189 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3iwg n LEU 189 CO 0.56 0.10 0.70 0.00 -1.33 0.00 0.00 177.39 177.42 3iwg s ALA 190 N -3.19 -1.88 -0.06 -1.18 0.00 -1.16 -1.38 121.76 112.92 3iwg s ALA 190 Ca -0.01 1.44 0.06 0.00 0.00 0.00 0.00 51.96 53.45 3iwg s ALA 190 Cb 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3iwg s ALA 190 CO 0.84 -0.38 -0.24 0.00 0.00 0.00 0.00 175.76 175.97 3iwg s ALA 191 N -1.45 2.20 0.03 0.00 0.00 -0.55 -1.27 121.76 120.72 3iwg s ALA 191 Ca -0.02 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.95 3iwg s ALA 191 Cb -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3iwg s ALA 191 CO 0.01 0.43 -0.18 0.20 0.00 0.00 0.00 175.76 176.22 3iwg s GLY 192 N -0.22 0.98 -0.13 0.00 0.00 0.05 -0.60 107.32 107.40 3iwg s GLY 192 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3iwg s GLY 192 CO 0.03 -0.88 -0.21 -0.54 0.00 0.00 0.00 173.10 171.50 3iwg s GLU 193 N -1.06 3.07 -0.61 2.90 2.02 0.25 -0.56 118.70 124.71 3iwg s GLU 193 Ca 0.06 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 3iwg s GLU 193 Cb -0.08 -2.45 0.16 0.00 0.10 0.00 0.00 34.13 31.86 3iwg s GLU 193 CO 0.01 0.04 0.40 0.00 0.02 0.00 0.00 175.26 175.74 3iwg s ARG 195 N -0.29 4.18 0.29 0.00 0.52 -0.12 -4.61 118.95 118.92 3iwg s ARG 195 Ca 0.18 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.40 3iwg s ARG 195 Cb -0.21 -3.51 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 3iwg s ARG 195 CO -0.03 0.06 0.60 -0.51 0.02 0.00 0.00 175.30 175.43 3iwg s LEU 196 N 1.03 4.05 -0.12 2.53 1.02 -1.26 -0.58 118.68 125.34 3iwg s LEU 196 Ca 0.16 0.88 -0.11 0.00 0.02 0.00 0.00 54.13 55.08 3iwg s LEU 196 Cb -0.14 -3.69 -0.05 0.00 0.02 0.00 0.00 46.19 42.34 3iwg s LEU 196 CO 0.06 -0.19 0.23 -0.36 0.02 0.00 0.00 176.35 176.11 3iwg s PHE 197 N -2.04 3.55 -0.46 0.29 0.08 -1.26 -4.97 117.98 113.17 3iwg s PHE 197 Ca 0.47 0.60 0.23 0.00 0.12 0.00 0.00 56.93 58.35 3iwg s PHE 197 Cb -0.11 -2.16 0.35 0.00 -0.57 0.00 0.00 43.02 40.54 3iwg s PHE 197 CO 0.27 0.49 1.55 -0.44 -0.10 0.00 0.00 175.22 177.00 3iwg h ASP 198 N 5.73 0.00 -5.08 1.36 3.32 -1.98 -3.39 116.42 116.38 3iwg h ASP 198 Ca -0.48 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 3iwg h ASP 198 Cb 1.19 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 3iwg h ASP 198 CO 0.67 0.00 -0.35 -1.10 -1.72 0.00 0.00 179.24 176.75 3iwg s GLN 199 N -3.21 0.75 0.00 3.56 -0.21 -1.26 -4.94 119.66 114.34 3iwg s GLN 199 Ca 0.06 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.81 3iwg s GLN 199 Cb 0.07 0.31 0.00 0.00 1.00 0.00 0.00 33.01 34.39 3iwg s GLN 199 CO 0.68 -0.23 0.00 0.66 -2.12 0.00 0.00 175.29 174.28 3iwg n TYR 200 N 0.55 0.00 -2.30 0.91 4.01 -1.26 -4.32 117.16 114.75 3iwg n TYR 200 Ca -0.18 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 3iwg n TYR 200 Cb 0.60 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.67 3iwg n TYR 200 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3iwg n GLN 201 N 0.00 2.63 0.00 -0.72 6.02 -1.26 -4.89 117.38 119.16 3iwg n GLN 201 Ca 0.00 -3.77 0.07 0.00 -0.01 0.00 0.00 57.00 53.29 3iwg n GLN 201 Cb 0.00 -1.89 0.43 0.00 1.02 0.00 0.00 30.24 29.80 3iwg n GLN 201 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3iwg n THR 202 N -0.64 0.11 0.23 5.09 -2.24 -1.26 -1.79 114.28 113.78 3iwg n THR 202 Ca 0.27 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 3iwg n THR 202 Cb 0.90 -0.80 0.16 0.00 -2.10 0.00 0.00 70.33 68.49 3iwg n THR 202 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3iwg n GLU 203 N -1.05 2.11 -4.44 -0.78 0.00 -1.26 -4.88 120.64 110.34 3iwg n GLU 203 Ca 0.10 -1.95 -0.25 0.00 0.00 0.00 0.00 57.16 55.07 3iwg n GLU 203 Cb 0.06 -1.38 -0.11 0.00 0.00 0.00 0.00 31.44 30.02 3iwg n GLU 203 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3iwg s TYR 204 N -1.23 2.23 -0.05 -1.84 2.02 -0.74 -1.80 117.35 115.94 3iwg s TYR 204 Ca 0.28 -0.36 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 3iwg s TYR 204 Cb 0.17 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 3iwg s TYR 204 CO 0.23 0.59 -0.23 0.00 -1.57 0.00 0.00 175.55 174.58 3iwg s ALA 205 N -2.19 1.96 -0.24 3.71 0.00 -0.15 -4.19 121.76 120.65 3iwg s ALA 205 Ca 0.25 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 3iwg s ALA 205 Cb -0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3iwg s ALA 205 CO 0.12 0.38 0.14 0.34 0.00 0.00 0.00 175.76 176.74 3iwg s ASP 206 N -0.13 5.84 -0.04 0.00 2.15 0.25 -0.52 116.67 124.21 3iwg s ASP 206 Ca -0.03 0.01 -0.02 0.00 0.43 0.00 0.00 52.55 52.95 3iwg s ASP 206 Cb -0.13 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 3iwg s ASP 206 CO 0.03 0.03 0.08 -0.76 -0.17 0.00 0.00 175.17 174.38 3iwg s LEU 207 N 1.26 3.93 0.00 -1.34 1.43 -0.41 -0.95 118.68 122.60 3iwg s LEU 207 Ca 0.06 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3iwg s LEU 207 Cb -0.14 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 3iwg s LEU 207 CO 0.06 0.32 0.13 0.61 0.23 0.00 0.00 176.35 177.69 3iwg n GLY 208 N 1.53 3.32 2.98 -3.19 0.00 -0.38 -4.50 105.19 104.95 3iwg n GLY 208 Ca -0.15 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 3iwg n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwg s ILE 210 N -2.51 -0.28 -0.08 -0.61 1.01 0.23 0.85 121.20 119.81 3iwg s ILE 210 Ca 0.13 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 3iwg s ILE 210 Cb 0.00 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 3iwg s ILE 210 CO 0.09 0.11 0.27 -0.69 0.00 0.00 0.00 174.94 174.71 3iwg s VAL 211 N 2.07 5.29 0.09 2.92 1.01 -1.26 -1.48 120.40 129.03 3iwg s VAL 211 Ca -0.01 0.50 -0.36 0.00 0.00 0.00 0.00 61.98 62.11 3iwg s VAL 211 Cb -0.12 -3.55 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 3iwg s VAL 211 CO -0.08 0.57 1.44 0.00 0.00 0.00 0.00 175.10 177.04 3iwg n ALA 212 N 2.13 -0.16 0.20 5.51 0.00 -0.48 -4.85 120.51 122.85 3iwg n ALA 212 Ca -0.17 0.48 0.10 0.00 0.00 0.00 0.00 53.44 53.86 3iwg n ALA 212 Cb 0.53 -2.18 0.64 0.00 0.00 0.00 0.00 19.45 18.45 3iwg n ALA 212 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3iwg h GLN 213 N 5.21 0.02 0.00 0.00 1.08 -1.91 -0.31 115.11 119.20 3iwg h GLN 213 Ca -0.47 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3iwg h GLN 213 Cb 1.31 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 3iwg h GLN 213 CO 0.82 0.01 0.00 -1.13 -0.95 0.00 0.00 178.83 177.59 3iwg n SER 214 N -4.51 0.00 -2.24 1.46 3.41 -1.26 -3.60 113.62 106.88 3iwg n SER 214 Ca -0.00 0.21 -0.03 0.00 -0.26 0.00 0.00 58.87 58.79 3iwg n SER 214 Cb 0.19 -0.35 0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3iwg n SER 214 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3iwg n ASN 215 N -1.35 2.03 -4.79 4.04 3.02 -0.13 -5.07 115.26 113.01 3iwg n ASN 215 Ca 0.06 -2.45 -0.32 0.00 -0.03 0.00 0.00 54.58 51.84 3iwg n ASN 215 Cb 0.14 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 38.94 3iwg n ASN 215 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3iwg s ARG 216 N -2.89 2.84 0.00 3.52 1.81 -1.22 -3.80 118.95 119.20 3iwg s ARG 216 Ca 0.33 1.20 0.00 0.00 -1.72 0.00 0.00 55.73 55.55 3iwg s ARG 216 Cb 0.35 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.89 3iwg s ARG 216 CO -0.06 -1.20 0.00 0.41 -0.68 0.00 0.00 175.30 173.78 3iwg n GLY 217 N -1.10 0.67 0.86 -3.53 0.00 -1.26 -4.87 105.19 95.95 3iwg n GLY 217 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 3iwg n GLY 217 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iwg n GLN 218 N -1.99 2.18 -1.28 1.61 6.02 -1.25 -4.91 117.38 117.77 3iwg n GLN 218 Ca 0.00 -1.52 -0.10 0.00 -0.01 0.00 0.00 57.00 55.37 3iwg n GLN 218 Cb 0.02 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 3iwg n GLN 218 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwg n GLY 219 N 0.99 1.07 0.33 1.08 0.00 -1.26 -4.90 105.19 102.49 3iwg n GLY 219 Ca 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 3iwg n GLY 219 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iwg h ILE 220 N 0.00 1.23 -0.24 -0.61 2.04 -1.91 -3.19 117.51 114.83 3iwg h ILE 220 Ca -0.20 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 3iwg h ILE 220 Cb 0.80 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3iwg h ILE 220 CO 0.29 0.24 -0.14 0.00 0.00 0.00 0.00 178.15 178.54 3iwg h ALA 221 N 1.27 1.32 0.00 1.87 0.00 -1.94 -0.91 119.26 120.88 3iwg h ALA 221 Ca 0.30 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3iwg h ALA 221 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iwg h ALA 221 CO -0.06 0.45 -0.76 1.57 0.00 0.00 0.00 179.25 180.46 3iwg h LYS 222 N 0.38 0.00 -0.04 0.00 2.10 -1.81 -1.95 116.57 115.26 3iwg h LYS 222 Ca 0.07 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.57 3iwg h LYS 222 Cb 0.47 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 3iwg h LYS 222 CO 0.03 0.76 -0.67 0.87 -2.00 0.00 0.00 179.45 178.44 3iwg h LYS 223 N 0.00 0.16 -0.25 0.07 1.79 -1.21 -1.59 116.57 115.55 3iwg h LYS 223 Ca -0.01 -0.13 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 3iwg h LYS 223 Cb 1.37 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 3iwg h LYS 223 CO 0.10 0.77 -0.08 0.28 -1.08 0.00 0.00 179.45 179.44 3iwg h VAL 224 N 0.11 1.29 -0.48 0.50 2.07 -1.02 -1.01 116.25 117.72 3iwg h VAL 224 Ca -0.01 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 3iwg h VAL 224 Cb 1.19 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3iwg h VAL 224 CO 0.10 0.35 -0.08 -0.07 0.02 0.00 0.00 177.57 177.89 3iwg h LEU 225 N 0.23 0.84 -0.17 2.57 3.38 -1.30 -1.04 115.31 119.81 3iwg h LEU 225 Ca 0.06 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3iwg h LEU 225 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3iwg h LEU 225 CO 0.03 0.95 0.06 0.74 0.09 0.00 0.00 178.44 180.30 3iwg h THR 226 N 0.78 0.96 -0.50 0.22 2.02 -1.19 0.24 112.91 115.43 3iwg h THR 226 Ca 0.13 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.27 3iwg h THR 226 Cb 0.57 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3iwg h THR 226 CO 0.04 0.03 0.32 0.15 0.37 0.00 0.00 175.52 176.42 3iwg h PHE 227 N 0.14 0.61 -0.22 3.16 3.04 -0.72 -1.69 116.94 121.26 3iwg h PHE 227 Ca 0.07 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.91 3iwg h PHE 227 Cb 0.04 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 3iwg h PHE 227 CO -0.11 0.38 -0.41 -0.07 -2.02 0.00 0.00 178.31 176.08 3iwg h LEU 228 N 0.66 0.54 -0.47 0.59 3.38 -0.87 -0.75 115.31 118.38 3iwg h LEU 228 Ca 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iwg h LEU 228 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3iwg h LEU 228 CO -0.05 0.89 0.31 0.74 0.09 0.00 0.00 178.44 180.41 3iwg h THR 229 N 0.42 1.13 -0.57 0.22 2.02 0.05 0.25 112.91 116.43 3iwg h THR 229 Ca 0.04 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 3iwg h THR 229 Cb 0.89 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3iwg h THR 229 CO 0.08 0.12 -0.06 0.11 0.37 0.00 0.00 175.52 176.14 3iwg h LYS 230 N 0.64 1.05 -0.76 6.66 1.57 -0.83 -0.13 116.57 124.77 3iwg h LYS 230 Ca 0.17 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3iwg h LYS 230 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3iwg h LYS 230 CO -0.04 1.06 0.33 1.25 -0.57 0.00 0.00 179.45 181.48 3iwg h HIS 231 N 0.94 1.12 0.05 -1.35 2.76 -0.72 -0.87 115.15 117.08 3iwg h HIS 231 Ca 0.15 -0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3iwg h HIS 231 Cb 0.63 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.25 3iwg h HIS 231 CO 0.04 0.83 -0.02 0.00 -1.30 0.00 0.00 177.93 177.48 3iwg h ALA 232 N 1.27 -0.07 -0.93 5.26 0.00 -0.61 -2.95 119.26 121.23 3iwg h ALA 232 Ca 0.26 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.28 3iwg h ALA 232 Cb 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3iwg h ALA 232 CO -0.03 -0.50 0.59 0.00 0.00 0.00 0.00 179.25 179.32 3iwg h ALA 233 N 0.80 1.84 0.00 0.00 0.00 -0.38 -0.47 119.26 121.06 3iwg h ALA 233 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwg h ALA 233 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iwg h ALA 233 CO 0.01 -0.12 0.00 1.79 0.00 0.00 0.00 179.25 180.93 3iwg h THR 234 N 0.69 0.00 -0.22 0.00 1.35 -1.01 0.26 112.91 113.98 3iwg h THR 234 Ca 0.49 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 3iwg h THR 234 Cb 0.82 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3iwg h THR 234 CO -0.24 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.03 3iwg n GLN 235 N -2.67 2.03 -0.96 4.72 6.02 -0.25 -4.95 117.38 121.33 3iwg n GLN 235 Ca 0.02 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 3iwg n GLN 235 Cb 0.29 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3iwg n GLN 235 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwg n GLY 236 N 1.28 0.45 3.75 1.08 0.00 0.08 -5.04 105.19 106.79 3iwg n GLY 236 Ca 0.17 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3iwg n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwg s LEU 237 N 0.00 3.76 0.01 0.99 1.43 -0.83 -4.93 118.68 119.11 3iwg s LEU 237 Ca 0.00 0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 3iwg s LEU 237 Cb 0.00 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 3iwg s LEU 237 CO 0.00 0.26 0.59 -0.89 0.23 0.00 0.00 176.35 176.54 3iwg s THR 238 N -1.19 4.89 0.07 5.49 2.01 -0.74 -3.09 115.64 123.07 3iwg s THR 238 Ca 0.23 1.23 -0.22 0.00 0.31 0.00 0.00 61.69 63.24 3iwg s THR 238 Cb -0.12 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 3iwg s THR 238 CO 0.14 0.44 0.65 -0.44 -0.69 0.00 0.00 174.62 174.72 3iwg s SER 239 N -0.34 7.13 0.23 3.53 0.01 -1.26 -0.98 113.70 122.02 3iwg s SER 239 Ca 0.30 1.35 0.05 0.00 1.31 0.00 0.00 55.95 58.96 3iwg s SER 239 Cb -0.18 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 3iwg s SER 239 CO 0.17 0.17 -0.06 0.27 0.41 0.00 0.00 173.24 174.21 3iwg s ILE 240 N -0.71 1.32 0.29 1.44 -4.36 0.32 -2.49 121.20 117.01 3iwg s ILE 240 Ca 0.32 -2.09 -0.18 0.00 -0.26 0.00 0.00 60.65 58.44 3iwg s ILE 240 Cb -0.20 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.28 3iwg s ILE 240 CO 0.21 -0.43 0.67 0.00 0.24 0.00 0.00 174.94 175.63 3iwg s SER 242 N -2.97 0.14 0.12 0.00 1.04 -1.26 -0.98 113.70 109.79 3iwg s SER 242 Ca 0.14 -1.01 -0.25 0.00 0.48 0.00 0.00 55.95 55.31 3iwg s SER 242 Cb -0.05 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.53 3iwg s SER 242 CO 0.08 -0.84 0.77 0.28 0.98 0.00 0.00 173.24 174.52 3iwg s THR 243 N -4.00 0.00 0.65 2.02 -1.32 -1.02 -4.98 115.64 106.99 3iwg s THR 243 Ca 0.20 -0.23 -0.15 0.00 -1.21 0.00 0.00 61.69 60.30 3iwg s THR 243 Cb 0.05 -1.28 -0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3iwg s THR 243 CO 0.01 0.00 1.10 -1.61 -2.21 0.00 0.00 174.62 171.91 3iwg s GLU 244 N -3.48 2.87 0.31 7.08 8.01 -1.26 -0.45 118.70 131.78 3iwg s GLU 244 Ca 0.05 1.33 0.07 0.00 0.01 0.00 0.00 54.97 56.43 3iwg s GLU 244 Cb -0.02 -1.96 0.52 0.00 -4.31 0.00 0.00 34.13 28.35 3iwg s GLU 244 CO -0.07 -1.18 1.75 0.66 0.01 0.00 0.00 175.26 176.43 3iwg h SER 245 N 0.03 0.27 -0.11 -0.19 4.64 -1.71 -2.69 113.55 113.80 3iwg h SER 245 Ca -0.47 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3iwg h SER 245 Cb 1.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3iwg h SER 245 CO 0.55 0.60 0.00 -0.46 -0.87 0.00 0.00 176.83 176.64 3iwg n ASN 246 N -4.09 1.24 -4.20 4.97 6.94 -1.26 -4.62 115.26 114.24 3iwg n ASN 246 Ca -0.01 -1.60 -0.43 0.00 -0.02 0.00 0.00 54.58 52.52 3iwg n ASN 246 Cb 0.43 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 3iwg n ASN 246 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3iwg n ASN 247 N 0.03 5.06 -0.12 0.53 2.85 -1.01 -4.84 115.26 117.75 3iwg n ASN 247 Ca 0.16 -3.01 -0.06 0.00 -0.11 0.00 0.00 54.58 51.56 3iwg n ASN 247 Cb 0.27 -1.56 0.02 0.00 1.24 0.00 0.00 39.78 39.75 3iwg n ASN 247 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3iwg h VAL 248 N 4.35 0.93 -0.72 3.44 2.07 -1.86 -1.98 116.25 122.49 3iwg h VAL 248 Ca 0.38 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 3iwg h VAL 248 Cb 0.76 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3iwg h VAL 248 CO 1.45 0.07 0.34 0.00 0.02 0.00 0.00 177.57 179.45 3iwg h ALA 249 N 1.23 1.25 -0.18 1.67 0.00 -2.00 -0.64 119.26 120.59 3iwg h ALA 249 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3iwg h ALA 249 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3iwg h ALA 249 CO -0.15 0.57 0.08 0.00 0.00 0.00 0.00 179.25 179.75 3iwg h ALA 250 N 1.36 0.24 -0.75 0.00 0.00 -1.94 -2.14 119.26 116.03 3iwg h ALA 250 Ca 0.25 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3iwg h ALA 250 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3iwg h ALA 250 CO -0.03 -0.18 0.49 1.96 0.00 0.00 0.00 179.25 181.49 3iwg h GLN 251 N 0.15 0.69 -0.16 0.00 4.20 -0.83 -0.53 115.11 118.63 3iwg h GLN 251 Ca 0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3iwg h GLN 251 Cb 0.16 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3iwg h GLN 251 CO -0.01 0.46 -0.10 -0.22 -0.67 0.00 0.00 178.83 178.29 3iwg h LYS 252 N 0.71 0.35 -0.33 1.46 3.64 -0.82 -2.04 116.57 119.55 3iwg h LYS 252 Ca 0.34 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3iwg h LYS 252 Cb 0.38 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3iwg h LYS 252 CO -0.12 0.68 0.03 0.00 -2.27 0.00 0.00 179.45 177.78 3iwg h ALA 253 N 0.66 0.43 -0.26 5.00 0.00 -0.84 -1.19 119.26 123.05 3iwg h ALA 253 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iwg h ALA 253 Cb 0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3iwg h ALA 253 CO 0.03 0.15 0.15 0.82 0.00 0.00 0.00 179.25 180.40 3iwg h ILE 254 N 0.37 1.02 -0.80 0.00 2.04 -1.13 0.14 117.51 119.16 3iwg h ILE 254 Ca 0.10 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3iwg h ILE 254 Cb 0.39 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3iwg h ILE 254 CO 0.01 0.06 0.37 0.00 0.00 0.00 0.00 178.15 178.58 3iwg h ALA 255 N 1.12 1.03 0.00 1.87 0.00 -1.19 -1.65 119.26 120.44 3iwg h ALA 255 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iwg h ALA 255 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3iwg h ALA 255 CO -0.05 0.61 0.00 0.72 0.00 0.00 0.00 179.25 180.53 3iwg n HIS 256 N -4.33 0.00 0.39 0.00 8.25 -0.47 -1.91 115.22 117.15 3iwg n HIS 256 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.61 3iwg n HIS 256 Cb 0.15 -0.32 0.22 0.00 1.12 0.00 0.00 29.99 31.16 3iwg n HIS 256 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iwg n ALA 257 N -1.32 2.53 -0.76 -1.41 0.00 0.44 -4.92 120.51 115.07 3iwg n ALA 257 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3iwg n ALA 257 Cb 0.22 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3iwg n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iwg n GLY 258 N 1.17 0.53 3.88 0.00 0.00 -0.80 -4.80 105.19 105.18 3iwg n GLY 258 Ca 0.16 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 3iwg n GLY 258 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwg s PHE 259 N -2.00 3.59 0.32 1.61 0.40 -0.86 -1.83 117.98 119.21 3iwg s PHE 259 Ca 0.00 0.56 0.10 0.00 -0.60 0.00 0.00 56.93 56.99 3iwg s PHE 259 Cb 0.00 -1.97 -0.06 0.00 0.51 0.00 0.00 43.02 41.50 3iwg s PHE 259 CO 0.00 0.66 -0.13 0.95 0.70 0.00 0.00 175.22 177.41 3iwg s THR 260 N -1.19 2.34 -0.22 0.64 -4.23 -0.41 -4.22 115.64 108.35 3iwg s THR 260 Ca 0.23 -2.26 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 3iwg s THR 260 Cb -0.13 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.24 3iwg s THR 260 CO 0.12 -0.27 0.07 -0.55 -0.54 0.00 0.00 174.62 173.46 3iwg s SER 261 N -3.58 3.08 0.00 3.99 0.15 -1.26 -0.29 113.70 115.79 3iwg s SER 261 Ca 0.32 -0.99 0.14 0.00 0.70 0.00 0.00 55.95 56.12 3iwg s SER 261 Cb -0.00 -0.53 0.37 0.00 -1.71 0.00 0.00 66.02 64.15 3iwg s SER 261 CO 0.16 -0.35 1.30 0.00 1.20 0.00 0.00 173.24 175.55 3iwg n ALA 262 N 5.09 2.25 -2.68 5.45 0.00 -1.26 -5.01 120.51 124.35 3iwg n ALA 262 Ca -0.07 -1.14 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 3iwg n ALA 262 Cb 0.46 -0.56 -0.11 0.00 0.00 0.00 0.00 19.45 19.24 3iwg n ALA 262 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3iwg s HIS 263 N -1.02 0.86 -0.01 0.00 3.76 -1.26 -5.01 115.29 112.61 3iwg s HIS 263 Ca 0.29 -0.58 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 3iwg s HIS 263 Cb 0.15 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.35 3iwg s HIS 263 CO 0.20 -0.05 0.11 1.03 -0.85 0.00 0.00 174.74 175.18 3iwg s ARG 264 N -2.12 0.37 -0.22 1.40 1.81 -1.26 -4.57 118.95 114.35 3iwg s ARG 264 Ca -0.03 -0.27 -0.12 0.00 -1.72 0.00 0.00 55.73 53.59 3iwg s ARG 264 Cb -0.07 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.54 3iwg s ARG 264 CO -0.00 -0.08 0.22 0.42 -0.68 0.00 0.00 175.30 175.18 3iwg s ILE 265 N -0.99 5.33 0.10 1.52 1.01 -0.06 -1.77 121.20 126.33 3iwg s ILE 265 Ca -0.11 0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.96 3iwg s ILE 265 Cb -0.06 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3iwg s ILE 265 CO 0.01 0.34 -0.24 -0.69 0.00 0.00 0.00 174.94 174.35 3iwg s VAL 266 N 1.02 2.41 -0.30 2.92 1.01 -0.03 0.37 120.40 127.80 3iwg s VAL 266 Ca 0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 61.98 60.51 3iwg s VAL 266 Cb -0.13 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.25 3iwg s VAL 266 CO 0.05 0.19 0.00 -1.58 0.00 0.00 0.00 175.10 173.76 3iwg s GLN 267 N -1.79 2.50 0.05 2.72 0.74 0.14 -1.72 119.66 122.30 3iwg s GLN 267 Ca 0.14 -1.22 -0.00 0.00 0.05 0.00 0.00 55.36 54.33 3iwg s GLN 267 Cb -0.10 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 3iwg s GLN 267 CO 0.06 -0.60 0.21 -0.06 -0.55 0.00 0.00 175.29 174.35 3iwg s PHE 268 N 1.28 3.52 -0.06 1.67 0.08 0.05 -0.85 117.98 123.67 3iwg s PHE 268 Ca -0.04 0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.31 3iwg s PHE 268 Cb -0.19 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3iwg s PHE 268 CO -0.01 0.60 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.35 3iwg s GLU 269 N -2.44 2.64 0.49 0.44 0.41 -0.91 -0.76 118.70 118.57 3iwg s GLU 269 Ca 0.34 -0.70 -0.18 0.00 -0.41 0.00 0.00 54.97 54.02 3iwg s GLU 269 Cb -0.13 -2.41 -0.09 0.00 -1.78 0.00 0.00 34.13 29.72 3iwg s GLU 269 CO 0.27 0.55 0.98 -0.06 -0.49 0.00 0.00 175.26 176.51 3iwg s PHE 270 N -0.55 3.36 -2.00 1.61 0.08 0.11 -0.42 117.98 120.18 3iwg s PHE 270 Ca 0.08 1.53 0.02 0.00 0.12 0.00 0.00 56.93 58.67 3iwg s PHE 270 Cb -0.11 -2.83 0.10 0.00 -0.57 0.00 0.00 43.02 39.60 3iwg s PHE 270 CO 0.01 -0.32 0.59 1.63 -0.10 0.00 0.00 175.22 177.04