#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6j h THR 24 N 0.00 0.00 -0.40 2.03 1.03 -2.06 -1.76 112.91 111.75 1i6j h THR 24 Ca 0.00 -0.29 -0.15 0.00 -0.01 0.00 0.00 66.41 65.96 1i6j h THR 24 Cb 0.00 1.24 -0.01 0.00 -1.07 0.00 0.00 68.15 68.32 1i6j h THR 24 CO 0.00 0.00 -0.34 -0.50 -0.01 0.00 0.00 175.52 174.67 1i6j h TRP 25 N 0.00 1.12 -0.56 0.00 4.06 -2.00 -1.97 115.95 116.60 1i6j h TRP 25 Ca 0.00 -0.32 0.09 0.00 2.06 0.00 0.00 58.89 60.72 1i6j h TRP 25 Cb 0.30 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 1i6j h TRP 25 CO 0.00 1.15 0.37 1.25 -3.56 0.00 0.00 178.44 177.65 1i6j h LEU 26 N 0.77 0.36 0.20 -4.49 6.46 -1.66 -1.79 115.31 115.15 1i6j h LEU 26 Ca 0.07 0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 57.52 1i6j h LEU 26 Cb 0.93 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1i6j h LEU 26 CO 0.09 0.22 -1.51 0.77 -0.62 0.00 0.00 178.44 177.39 1i6j h SER 27 N 0.40 0.65 0.87 1.25 4.64 -1.54 -3.33 113.55 116.49 1i6j h SER 27 Ca 0.25 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1i6j h SER 27 Cb 0.47 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1i6j h SER 27 CO -0.07 1.70 0.00 0.44 -0.87 0.00 0.00 176.83 178.03 1i6j h ASP 28 N 0.00 0.00 -2.08 4.97 3.32 -0.93 -3.32 116.42 118.38 1i6j h ASP 28 Ca -0.29 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.23 1i6j h ASP 28 Cb 2.02 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 41.17 1i6j h ASP 28 CO 0.19 0.00 -1.00 0.49 -1.72 0.00 0.00 179.24 177.20 1i6j n PHE 29 N -3.07 1.22 -0.11 4.55 3.72 -0.71 -4.97 117.46 118.08 1i6j n PHE 29 Ca 0.00 -3.83 -0.07 0.00 -0.05 0.00 0.00 57.45 53.50 1i6j n PHE 29 Cb 0.27 -0.43 -0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1i6j n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1i6j h PRO 30 N 3.37 -0.20 0.00 -1.08 0.11 -1.68 -2.40 132.00 130.12 1i6j h PRO 30 Ca 0.11 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1i6j h PRO 30 Cb 0.82 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1i6j h PRO 30 CO 0.59 -0.14 -0.10 0.37 -0.21 0.00 0.00 178.00 178.52 1i6j h GLN 31 N -0.21 0.00 0.00 1.05 4.15 -1.92 -2.59 115.11 115.59 1i6j h GLN 31 Ca 0.18 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.40 1i6j h GLN 31 Cb 0.50 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1i6j h GLN 31 CO -0.51 0.10 -0.98 0.00 -1.93 0.00 0.00 178.83 175.50 1i6j h ALA 32 N 1.90 0.42 -2.72 3.38 0.00 -1.69 -3.41 119.26 117.15 1i6j h ALA 32 Ca -0.00 -0.89 -0.57 0.00 0.00 0.00 0.00 54.91 53.45 1i6j h ALA 32 Cb 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1i6j h ALA 32 CO 0.01 1.19 -0.04 -1.58 0.00 0.00 0.00 179.25 178.83 1i6j s TRP 33 N -2.74 3.77 0.36 0.00 0.52 -1.21 -0.87 118.94 118.77 1i6j s TRP 33 Ca 0.01 1.24 0.05 0.00 0.02 0.00 0.00 56.10 57.42 1i6j s TRP 33 Cb 0.10 -2.52 0.73 0.00 -1.15 0.00 0.00 33.47 30.62 1i6j s TRP 33 CO 0.81 0.52 1.95 0.00 0.02 0.00 0.00 176.95 180.26 1i6j h ALA 34 N 4.86 1.69 -0.37 0.98 0.00 -0.94 0.46 119.26 125.94 1i6j h ALA 34 Ca -0.48 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1i6j h ALA 34 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1i6j h ALA 34 CO 0.65 0.19 0.25 0.93 0.00 0.00 0.00 179.25 181.27 1i6j h GLU 35 N 0.78 0.39 0.00 0.00 3.07 -1.92 -3.30 114.58 113.60 1i6j h GLU 35 Ca 0.32 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1i6j h GLU 35 Cb 0.26 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1i6j h GLU 35 CO -0.11 0.26 0.00 0.25 -1.40 0.00 0.00 179.01 178.01 1i6j n THR 36 N -4.48 0.00 1.04 1.13 -2.24 -0.83 -4.77 114.28 104.13 1i6j n THR 36 Ca 0.04 -0.32 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1i6j n THR 36 Cb 0.14 1.19 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1i6j n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i6j n GLY 37 N 0.30 -0.43 0.21 3.38 0.00 0.16 -4.63 105.19 104.17 1i6j n GLY 37 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1i6j n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6j n GLY 38 N 1.43 -1.94 3.69 -0.02 0.00 -1.24 -4.82 105.19 102.29 1i6j n GLY 38 Ca 0.08 -1.45 -0.45 0.00 0.00 0.00 0.00 46.02 44.21 1i6j n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1i6j n MET 39 N -2.56 2.32 -1.34 1.61 1.56 -1.26 -4.84 117.12 112.61 1i6j n MET 39 Ca -0.00 0.83 -0.30 0.00 -0.27 0.00 0.00 57.70 57.96 1i6j n MET 39 Cb 0.10 -2.60 0.22 0.00 2.15 0.00 0.00 33.22 33.08 1i6j n MET 39 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1i6j s GLY 40 N 0.83 1.64 -0.30 -5.12 0.00 -1.26 -5.08 107.32 98.03 1i6j s GLY 40 Ca 0.75 -1.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 1i6j s GLY 40 CO 0.39 -0.17 1.02 -2.27 0.00 0.00 0.00 173.10 172.07 1i6j s LEU 41 N -6.62 -0.53 -1.05 0.66 0.20 0.90 -4.61 118.68 107.62 1i6j s LEU 41 Ca 0.72 0.62 -0.23 0.00 0.69 0.00 0.00 54.13 55.93 1i6j s LEU 41 Cb -0.08 1.56 0.01 0.00 -0.43 0.00 0.00 46.19 47.25 1i6j s LEU 41 CO 0.55 -0.10 1.68 0.00 -0.29 0.00 0.00 176.35 178.19 1i6j s ALA 42 N 2.52 2.43 0.54 5.97 0.00 0.14 -4.05 121.76 129.31 1i6j s ALA 42 Ca -0.01 -2.15 0.21 0.00 0.00 0.00 0.00 51.96 50.00 1i6j s ALA 42 Cb -0.07 -4.57 1.40 0.00 0.00 0.00 0.00 23.12 19.88 1i6j s ALA 42 CO -0.16 -4.06 2.12 -0.39 0.00 0.00 0.00 175.76 173.27 1i6j h VAL 43 N 6.66 0.84 0.00 0.00 -1.51 -1.80 -2.21 116.25 118.23 1i6j h VAL 43 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.69 1i6j h VAL 43 Cb 0.98 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1i6j h VAL 43 CO 1.35 0.00 -0.21 0.54 -1.23 0.00 0.00 177.57 178.02 1i6j n ARG 44 N -4.36 0.16 -3.40 5.19 5.12 -1.26 -4.82 116.66 113.29 1i6j n ARG 44 Ca 0.00 0.10 -0.38 0.00 -1.93 0.00 0.00 57.85 55.64 1i6j n ARG 44 Cb 0.22 -1.65 -0.08 0.00 -1.16 0.00 0.00 32.46 29.80 1i6j n ARG 44 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1i6j s GLN 45 N -3.07 4.17 0.46 5.56 -1.52 -0.83 -5.05 119.66 119.37 1i6j s GLN 45 Ca 0.11 0.19 -0.24 0.00 -1.95 0.00 0.00 55.36 53.46 1i6j s GLN 45 Cb 0.15 -3.54 -0.07 0.00 -0.22 0.00 0.00 33.01 29.33 1i6j s GLN 45 CO 0.62 -0.03 1.32 0.00 -0.25 0.00 0.00 175.29 176.95 1i6j s ALA 46 N 1.29 3.10 0.23 6.09 0.00 -1.26 -4.78 121.76 126.43 1i6j s ALA 46 Ca 0.19 1.26 -0.31 0.00 0.00 0.00 0.00 51.96 53.10 1i6j s ALA 46 Cb -0.15 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 1i6j s ALA 46 CO 0.08 -1.02 1.26 -2.30 0.00 0.00 0.00 175.76 173.78 1i6j n PRO 47 N -0.33 1.64 -2.51 0.00 -0.02 -1.26 -4.83 135.00 127.68 1i6j n PRO 47 Ca 0.06 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1i6j n PRO 47 Cb 0.44 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1i6j n PRO 47 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i6j s LEU 48 N 0.27 4.43 -0.22 2.45 1.43 -0.20 -4.32 118.68 122.52 1i6j s LEU 48 Ca 0.68 2.00 -0.07 0.00 -1.03 0.00 0.00 54.13 55.71 1i6j s LEU 48 Cb -0.72 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1i6j s LEU 48 CO 0.53 -0.30 0.05 -0.63 0.23 0.00 0.00 176.35 176.22 1i6j s ILE 49 N 0.36 4.24 -0.51 -0.59 1.01 -1.26 0.12 121.20 124.58 1i6j s ILE 49 Ca 0.53 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 1i6j s ILE 49 Cb -0.28 -2.95 0.08 0.00 0.01 0.00 0.00 42.46 39.31 1i6j s ILE 49 CO 0.32 0.38 0.53 -0.63 0.00 0.00 0.00 174.94 175.54 1i6j s ILE 50 N 1.26 5.06 0.18 2.92 -1.09 -1.26 -5.06 121.20 123.21 1i6j s ILE 50 Ca 0.04 -0.93 -0.31 0.00 -2.23 0.00 0.00 60.65 57.22 1i6j s ILE 50 Cb -0.15 -4.27 -0.09 0.00 -1.58 0.00 0.00 42.46 36.38 1i6j s ILE 50 CO 0.03 -0.77 1.40 -2.84 -1.23 0.00 0.00 174.94 171.52 1i6j s PRO 51 N 2.10 4.31 0.40 2.79 0.02 -1.26 -4.96 135.00 138.40 1i6j s PRO 51 Ca 0.08 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.25 1i6j s PRO 51 Cb -0.23 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 1i6j s PRO 51 CO 0.08 -0.40 0.64 -0.51 -0.33 0.00 0.00 177.00 176.47 1i6j s LEU 52 N 0.43 3.87 0.72 -5.54 1.43 -1.26 -1.61 118.68 116.72 1i6j s LEU 52 Ca 0.62 0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 54.19 1i6j s LEU 52 Cb -0.39 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.36 1i6j s LEU 52 CO 0.35 -0.41 1.16 -0.54 0.23 0.00 0.00 176.35 177.14 1i6j s LYS 53 N -4.47 2.28 0.45 1.70 1.02 -0.27 -4.40 119.74 116.05 1i6j s LYS 53 Ca 0.43 1.56 0.19 0.00 0.02 0.00 0.00 55.97 58.17 1i6j s LYS 53 Cb -0.10 -1.87 1.16 0.00 -0.52 0.00 0.00 37.83 36.50 1i6j s LYS 53 CO 0.39 -1.69 1.91 0.00 -0.92 0.00 0.00 175.35 175.05 1i6j h ALA 54 N -0.39 2.28 -0.27 5.17 0.00 -1.97 -2.53 119.26 121.54 1i6j h ALA 54 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1i6j h ALA 54 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i6j h ALA 54 CO 0.51 -0.50 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1i6j n THR 55 N -4.45 0.41 -2.09 0.00 -2.24 -1.26 -5.02 114.28 99.63 1i6j n THR 55 Ca 0.16 -0.70 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1i6j n THR 55 Cb 0.64 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.89 1i6j n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1i6j s SER 56 N -1.42 6.74 0.02 3.42 0.01 -0.96 -5.04 113.70 116.48 1i6j s SER 56 Ca 0.31 2.68 0.04 0.00 1.31 0.00 0.00 55.95 60.30 1i6j s SER 56 Cb 0.19 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1i6j s SER 56 CO 0.27 -0.57 -0.13 -0.89 0.41 0.00 0.00 173.24 172.33 1i6j s THR 57 N -0.90 1.02 0.39 1.44 2.01 -1.26 -4.97 115.64 113.37 1i6j s THR 57 Ca 0.51 -0.85 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 1i6j s THR 57 Cb -0.40 -0.91 -0.11 0.00 0.01 0.00 0.00 72.50 71.08 1i6j s THR 57 CO 0.51 0.06 1.06 -2.65 -0.69 0.00 0.00 174.62 172.91 1i6j n PRO 58 N 2.14 1.49 -4.96 4.92 -0.02 -1.26 -5.00 135.00 132.31 1i6j n PRO 58 Ca -0.17 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 1i6j n PRO 58 Cb 0.55 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.79 1i6j n PRO 58 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1i6j s VAL 59 N -1.22 1.66 -0.40 -1.45 0.11 -1.26 -4.94 120.40 112.91 1i6j s VAL 59 Ca 0.61 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1i6j s VAL 59 Cb -0.58 -1.45 0.11 0.00 -1.53 0.00 0.00 36.38 32.93 1i6j s VAL 59 CO 0.58 0.47 0.15 -0.55 -3.33 0.00 0.00 175.10 172.42 1i6j s SER 60 N 0.37 4.95 0.05 3.54 0.15 -1.25 -1.73 113.70 119.78 1i6j s SER 60 Ca -0.14 -2.22 -0.23 0.00 0.70 0.00 0.00 55.95 54.06 1i6j s SER 60 Cb -0.16 -1.72 -0.06 0.00 -1.71 0.00 0.00 66.02 62.37 1i6j s SER 60 CO 0.06 -0.43 0.69 -0.63 1.20 0.00 0.00 173.24 174.13 1i6j s ILE 61 N 0.84 4.73 0.31 6.45 1.01 0.15 -4.87 121.20 129.83 1i6j s ILE 61 Ca 0.11 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.94 1i6j s ILE 61 Cb -0.21 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 1i6j s ILE 61 CO -0.06 0.42 1.48 -0.75 0.00 0.00 0.00 174.94 176.04 1i6j s LYS 62 N -0.37 4.19 -0.36 2.79 2.20 -1.26 -4.45 119.74 122.48 1i6j s LYS 62 Ca 0.35 2.45 -0.22 0.00 -0.36 0.00 0.00 55.97 58.19 1i6j s LYS 62 Cb -0.20 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1i6j s LYS 62 CO 0.21 -0.49 0.73 -1.14 -0.36 0.00 0.00 175.35 174.30 1i6j s GLN 63 N -1.05 3.71 0.27 4.03 2.00 -1.26 -4.72 119.66 122.65 1i6j s GLN 63 Ca 0.57 0.20 -0.29 0.00 -2.00 0.00 0.00 55.36 53.84 1i6j s GLN 63 Cb -0.45 -3.81 -0.10 0.00 0.80 0.00 0.00 33.01 29.45 1i6j s GLN 63 CO 0.51 -0.81 1.26 -0.47 -0.50 0.00 0.00 175.29 175.28 1i6j s TYR 64 N 2.95 3.24 0.19 1.67 5.04 -1.26 -4.93 117.35 124.26 1i6j s TYR 64 Ca 0.29 1.41 -0.32 0.00 -2.44 0.00 0.00 57.07 56.01 1i6j s TYR 64 Cb -0.14 -3.56 -0.16 0.00 0.35 0.00 0.00 41.96 38.46 1i6j s TYR 64 CO 0.16 -1.57 1.12 -2.30 -1.34 0.00 0.00 175.55 171.62 1i6j n PRO 65 N 1.54 1.13 -4.44 4.97 -0.02 -1.26 -4.98 135.00 131.95 1i6j n PRO 65 Ca 0.02 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 1i6j n PRO 65 Cb 0.43 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 1i6j n PRO 65 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1i6j s MET 66 N -0.56 2.77 0.72 -0.52 1.75 -1.26 -5.10 119.30 117.10 1i6j s MET 66 Ca 0.71 -0.57 -0.14 0.00 -1.25 0.00 0.00 55.69 54.45 1i6j s MET 66 Cb -0.84 -2.64 0.04 0.00 2.84 0.00 0.00 34.83 34.23 1i6j s MET 66 CO 0.53 0.65 1.13 -1.54 -0.65 0.00 0.00 175.02 175.15 1i6j s SER 67 N -1.15 4.54 0.23 1.11 1.04 -1.26 -4.82 113.70 113.39 1i6j s SER 67 Ca 0.15 2.08 -0.06 0.00 0.48 0.00 0.00 55.95 58.60 1i6j s SER 67 Cb -0.11 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.67 1i6j s SER 67 CO 0.05 -2.02 1.83 -0.61 0.98 0.00 0.00 173.24 173.48 1i6j h GLN 68 N -0.46 1.20 -0.24 4.02 4.15 -1.99 -0.93 115.11 120.86 1i6j h GLN 68 Ca -0.46 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 58.83 1i6j h GLN 68 Cb 1.26 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 28.69 1i6j h GLN 68 CO 0.51 0.91 -0.02 1.49 -1.93 0.00 0.00 178.83 179.79 1i6j h GLU 69 N 1.19 0.04 -0.24 1.69 4.81 -1.99 0.21 114.58 120.29 1i6j h GLU 69 Ca 0.29 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1i6j h GLU 69 Cb 0.10 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1i6j h GLU 69 CO -0.04 0.03 0.11 0.00 -0.73 0.00 0.00 179.01 178.38 1i6j h ALA 70 N 1.22 0.30 -0.63 2.92 0.00 -1.85 -1.92 119.26 119.31 1i6j h ALA 70 Ca 0.11 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1i6j h ALA 70 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1i6j h ALA 70 CO -0.22 -0.14 0.37 -0.09 0.00 0.00 0.00 179.25 179.18 1i6j h ARG 71 N 0.25 0.69 -0.50 0.00 2.43 -0.74 -0.77 114.38 115.74 1i6j h ARG 71 Ca 0.08 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1i6j h ARG 71 Cb 0.12 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1i6j h ARG 71 CO -0.01 0.46 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.80 1i6j h LEU 72 N 0.71 0.84 -0.81 3.80 3.38 -0.46 -0.22 115.31 122.55 1i6j h LEU 72 Ca 0.26 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1i6j h LEU 72 Cb 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1i6j h LEU 72 CO -0.13 0.92 -0.25 1.23 0.09 0.00 0.00 178.44 180.30 1i6j h GLY 73 N 0.98 0.66 1.44 0.83 0.00 -0.73 -3.25 103.07 103.00 1i6j h GLY 73 Ca 0.14 -0.56 -0.29 0.00 0.00 0.00 0.00 47.33 46.62 1i6j h GLY 73 CO 0.03 0.51 -1.27 -2.22 0.00 0.00 0.00 176.54 173.59 1i6j h ILE 74 N 0.53 1.38 -0.99 2.60 2.04 -0.94 -3.39 117.51 118.74 1i6j h ILE 74 Ca 0.07 -2.75 0.21 0.00 1.00 0.00 0.00 64.86 63.39 1i6j h ILE 74 Cb 0.71 2.85 -0.19 0.00 -0.74 0.00 0.00 36.82 39.45 1i6j h ILE 74 CO 0.05 0.82 -0.21 0.50 0.00 0.00 0.00 178.15 179.32 1i6j h LYS 75 N 0.16 0.00 -0.80 2.37 3.64 -1.07 -0.18 116.57 120.69 1i6j h LYS 75 Ca -0.17 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1i6j h LYS 75 Cb 1.96 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.74 1i6j h LYS 75 CO 0.23 0.00 0.50 -1.35 -2.27 0.00 0.00 179.45 176.56 1i6j h PRO 76 N 0.00 1.07 -0.30 1.90 0.11 -1.76 -0.31 132.00 132.72 1i6j h PRO 76 Ca 0.49 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 66.48 1i6j h PRO 76 Cb 0.80 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1i6j h PRO 76 CO -1.01 0.73 0.01 0.45 -0.21 0.00 0.00 178.00 177.97 1i6j h HIS 77 N 1.09 0.56 -0.64 0.65 3.86 -1.30 -1.14 115.15 118.24 1i6j h HIS 77 Ca 0.29 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1i6j h HIS 77 Cb -0.08 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1i6j h HIS 77 CO 0.00 0.65 0.40 0.82 0.86 0.00 0.00 177.93 180.66 1i6j h ILE 78 N 0.32 1.18 -0.47 2.45 1.08 -1.00 -1.40 117.51 119.67 1i6j h ILE 78 Ca 0.09 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1i6j h ILE 78 Cb 0.42 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 1i6j h ILE 78 CO 0.01 0.18 0.21 -0.61 -0.69 0.00 0.00 178.15 177.26 1i6j h GLN 79 N 0.87 0.70 -0.60 2.37 5.75 -0.92 -0.89 115.11 122.38 1i6j h GLN 79 Ca 0.23 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1i6j h GLN 79 Cb -0.05 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 1i6j h GLN 79 CO -0.05 0.61 0.39 -0.09 -2.65 0.00 0.00 178.83 177.04 1i6j h ARG 80 N 0.62 0.77 -0.22 1.69 2.43 -0.89 0.42 114.38 119.21 1i6j h ARG 80 Ca 0.16 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1i6j h ARG 80 Cb 0.16 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1i6j h ARG 80 CO -0.02 0.51 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.78 1i6j h LEU 81 N 0.79 0.34 -0.17 3.80 3.38 -0.92 0.06 115.31 122.60 1i6j h LEU 81 Ca 0.22 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1i6j h LEU 81 Cb -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1i6j h LEU 81 CO -0.06 0.48 -0.27 -0.07 0.09 0.00 0.00 178.44 178.61 1i6j h LEU 82 N 0.34 0.53 -0.79 1.67 3.38 -0.44 -0.36 115.31 119.64 1i6j h LEU 82 Ca 0.07 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.53 1i6j h LEU 82 Cb 0.40 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1i6j h LEU 82 CO 0.02 0.96 0.51 0.44 0.09 0.00 0.00 178.44 180.46 1i6j h ASP 83 N 0.11 0.86 0.63 -0.43 3.32 -0.53 -0.83 116.42 119.55 1i6j h ASP 83 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i6j h ASP 83 Cb 0.85 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1i6j h ASP 83 CO 0.06 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 1i6j n GLN 84 N -4.57 0.02 -1.00 3.56 6.02 -0.03 -4.88 117.38 116.51 1i6j n GLN 84 Ca 0.09 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1i6j n GLN 84 Cb 0.06 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1i6j n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i6j n GLY 85 N 0.30 0.74 0.16 1.08 0.00 -0.32 -4.89 105.19 102.26 1i6j n GLY 85 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1i6j n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i6j h ILE 86 N 0.00 1.39 -3.99 -0.61 2.04 -1.34 -3.43 117.51 111.58 1i6j h ILE 86 Ca 0.00 -1.96 -0.69 0.00 1.00 0.00 0.00 64.86 63.21 1i6j h ILE 86 Cb 0.01 2.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.87 1i6j h ILE 86 CO 0.00 0.57 -0.78 -0.76 0.00 0.00 0.00 178.15 177.19 1i6j s LEU 87 N -7.88 2.73 0.03 1.44 1.43 -0.96 -0.77 118.68 114.69 1i6j s LEU 87 Ca -0.03 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1i6j s LEU 87 Cb 0.12 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1i6j s LEU 87 CO 0.79 0.31 0.02 0.68 0.23 0.00 0.00 176.35 178.38 1i6j s VAL 88 N -0.81 0.14 0.76 -1.59 -7.23 -0.53 -4.39 120.40 106.76 1i6j s VAL 88 Ca 0.13 -1.13 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 1i6j s VAL 88 Cb -0.11 -0.73 0.05 0.00 0.56 0.00 0.00 36.38 36.16 1i6j s VAL 88 CO 0.03 -0.62 1.11 -2.84 -0.31 0.00 0.00 175.10 172.46 1i6j s PRO 89 N -2.31 2.20 0.03 4.82 0.02 -1.26 -1.41 135.00 137.08 1i6j s PRO 89 Ca -0.08 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 61.97 1i6j s PRO 89 Cb -0.03 -1.88 0.10 0.00 0.02 0.00 0.00 34.50 32.70 1i6j s PRO 89 CO -0.04 -1.71 1.10 0.00 -0.33 0.00 0.00 177.00 176.02 1i6j s GLN 91 N -2.85 1.66 0.05 0.00 -0.21 -1.26 -3.82 119.66 113.24 1i6j s GLN 91 Ca 0.11 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.76 1i6j s GLN 91 Cb 0.01 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 1i6j s GLN 91 CO -0.02 -0.49 -0.10 0.45 -2.12 0.00 0.00 175.29 173.00 1i6j s SER 92 N 1.49 1.18 0.42 5.90 0.15 -1.26 -5.01 113.70 116.57 1i6j s SER 92 Ca -0.02 -0.57 0.29 0.00 0.70 0.00 0.00 55.95 56.35 1i6j s SER 92 Cb -0.17 0.00 1.14 0.00 -1.71 0.00 0.00 66.02 65.29 1i6j s SER 92 CO -0.07 -0.15 1.86 -0.65 1.20 0.00 0.00 173.24 175.42 1i6j h PRO 93 N 4.43 0.00 -5.99 5.44 0.11 -1.95 -3.43 132.00 130.60 1i6j h PRO 93 Ca -0.38 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.13 1i6j h PRO 93 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1i6j h PRO 93 CO 0.40 0.00 -0.44 -1.58 -0.21 0.00 0.00 178.00 176.17 1i6j s TRP 94 N -3.49 3.51 -0.29 0.65 0.52 -1.26 -3.81 118.94 114.77 1i6j s TRP 94 Ca 0.03 0.34 -0.15 0.00 0.02 0.00 0.00 56.10 56.34 1i6j s TRP 94 Cb 0.09 -1.83 0.12 0.00 -1.15 0.00 0.00 33.47 30.70 1i6j s TRP 94 CO 0.50 0.54 0.84 1.21 0.02 0.00 0.00 176.95 180.06 1i6j s ASN 95 N -2.50 -0.74 0.20 2.95 2.47 -0.71 -4.50 114.94 112.11 1i6j s ASN 95 Ca 0.37 1.14 0.09 0.00 0.42 0.00 0.00 52.86 54.88 1i6j s ASN 95 Cb -0.13 1.45 -0.04 0.00 -1.45 0.00 0.00 41.25 41.08 1i6j s ASN 95 CO 0.27 -0.18 -0.17 0.42 -3.72 0.00 0.00 177.10 173.72 1i6j s THR 96 N 1.75 1.91 0.37 -5.21 -4.23 -0.72 0.32 115.64 109.83 1i6j s THR 96 Ca -0.08 -2.11 -0.27 0.00 -1.18 0.00 0.00 61.69 58.05 1i6j s THR 96 Cb -0.05 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.69 1i6j s THR 96 CO -0.17 -0.43 1.29 -2.84 -0.54 0.00 0.00 174.62 171.93 1i6j s PRO 97 N -3.21 4.18 -0.18 3.99 0.02 -1.26 -4.43 135.00 134.10 1i6j s PRO 97 Ca 0.21 2.14 -0.08 0.00 0.02 0.00 0.00 61.00 63.29 1i6j s PRO 97 Cb -0.04 -2.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 1i6j s PRO 97 CO 0.08 -0.31 0.09 -1.17 -0.33 0.00 0.00 177.00 175.36 1i6j s LEU 98 N -2.11 3.99 -0.03 -5.54 2.96 -1.26 -0.85 118.68 115.83 1i6j s LEU 98 Ca 0.53 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1i6j s LEU 98 Cb -0.38 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1i6j s LEU 98 CO 0.50 0.20 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.86 1i6j s LEU 99 N 0.22 2.96 -0.31 -0.68 1.43 0.35 -4.92 118.68 117.73 1i6j s LEU 99 Ca 0.06 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 52.79 1i6j s LEU 99 Cb -0.12 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1i6j s LEU 99 CO -0.00 0.32 0.66 -2.84 0.23 0.00 0.00 176.35 174.72 1i6j s PRO 100 N -1.01 3.88 -0.18 1.29 0.02 -1.26 -1.45 135.00 136.29 1i6j s PRO 100 Ca 0.14 0.32 0.00 0.00 0.02 0.00 0.00 61.00 61.48 1i6j s PRO 100 Cb -0.11 -3.74 0.04 0.00 0.02 0.00 0.00 34.50 30.71 1i6j s PRO 100 CO 0.03 -0.62 -0.10 0.08 -0.33 0.00 0.00 177.00 176.06 1i6j s VAL 101 N 2.69 1.49 -0.68 3.83 1.01 -1.04 -4.94 120.40 122.77 1i6j s VAL 101 Ca 0.26 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1i6j s VAL 101 Cb -0.15 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.73 1i6j s VAL 101 CO 0.12 0.24 1.15 -0.54 0.00 0.00 0.00 175.10 176.07 1i6j s LYS 102 N 1.48 3.21 1.36 2.72 1.02 -1.26 -2.44 119.74 125.83 1i6j s LYS 102 Ca 0.01 -0.37 -0.22 0.00 0.02 0.00 0.00 55.97 55.41 1i6j s LYS 102 Cb -0.15 -4.17 0.34 0.00 -0.52 0.00 0.00 37.83 33.34 1i6j s LYS 102 CO -0.09 -1.94 1.01 0.15 -0.92 0.00 0.00 175.35 173.56 1i6j s LYS 103 N 5.00 -2.42 -0.17 1.68 -0.14 -1.20 -3.79 119.74 118.70 1i6j s LYS 103 Ca 0.32 -0.04 -0.02 0.00 -1.36 0.00 0.00 55.97 54.86 1i6j s LYS 103 Cb -0.11 -1.45 0.02 0.00 -1.68 0.00 0.00 37.83 34.61 1i6j s LYS 103 CO 0.15 -4.51 0.05 -2.30 -0.76 0.00 0.00 175.35 167.99 1i6j n PRO 104 N -5.33 -0.98 0.00 -1.68 -0.02 -1.26 0.59 135.00 126.31 1i6j n PRO 104 Ca 0.14 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1i6j n PRO 104 Cb 0.60 -0.43 0.00 0.00 -0.02 0.00 0.00 33.50 33.65 1i6j n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i6j n GLY 105 N -0.54 0.27 3.71 -1.23 0.00 -1.25 -4.89 105.19 101.27 1i6j n GLY 105 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1i6j n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i6j s THR 106 N -0.61 2.16 -0.52 2.61 -4.23 0.20 -4.89 115.64 110.35 1i6j s THR 106 Ca 0.00 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 60.55 1i6j s THR 106 Cb 0.00 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 71.28 1i6j s THR 106 CO 0.00 -0.04 2.75 0.59 -0.54 0.00 0.00 174.62 177.38 1i6j n ASN 107 N -2.88 6.59 -4.05 3.99 4.13 -1.26 -4.05 115.26 117.74 1i6j n ASN 107 Ca 0.14 -3.20 -0.32 0.00 1.68 0.00 0.00 54.58 52.89 1i6j n ASN 107 Cb 0.50 -1.25 -0.16 0.00 -1.54 0.00 0.00 39.78 37.34 1i6j n ASN 107 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1i6j s ASP 108 N 0.37 3.67 0.24 6.41 -1.08 -1.26 -5.07 116.67 119.94 1i6j s ASP 108 Ca 0.59 -1.00 -0.20 0.00 -0.52 0.00 0.00 52.55 51.42 1i6j s ASP 108 Cb 0.37 -1.39 -0.08 0.00 -1.46 0.00 0.00 42.92 40.35 1i6j s ASP 108 CO -0.21 -0.13 0.74 -0.31 0.52 0.00 0.00 175.17 175.78 1i6j s TYR 109 N 1.28 3.63 -0.04 -5.34 1.51 -1.26 -3.26 117.35 113.86 1i6j s TYR 109 Ca -0.02 1.41 -0.05 0.00 -1.01 0.00 0.00 57.07 57.39 1i6j s TYR 109 Cb -0.17 -2.64 0.01 0.00 -0.11 0.00 0.00 41.96 39.06 1i6j s TYR 109 CO -0.08 0.31 0.14 1.03 -1.11 0.00 0.00 175.55 175.83 1i6j s ARG 110 N -2.05 0.23 0.08 -0.62 0.52 -1.02 -4.35 118.95 111.74 1i6j s ARG 110 Ca 0.44 0.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.41 1i6j s ARG 110 Cb -0.16 0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.32 1i6j s ARG 110 CO 0.21 -0.04 1.79 -2.14 0.02 0.00 0.00 175.30 175.14 1i6j s PRO 111 N -0.24 4.16 -0.14 3.54 0.02 -1.26 -2.50 135.00 138.58 1i6j s PRO 111 Ca -0.03 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 63.47 1i6j s PRO 111 Cb -0.02 -3.72 0.04 0.00 0.02 0.00 0.00 34.50 30.82 1i6j s PRO 111 CO 0.00 -0.83 -0.02 0.08 -0.33 0.00 0.00 177.00 175.90 1i6j s VAL 112 N 3.09 0.78 -0.06 3.83 1.01 -0.53 -4.97 120.40 123.56 1i6j s VAL 112 Ca 0.80 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 1i6j s VAL 112 Cb -0.43 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1i6j s VAL 112 CO 0.36 0.11 0.53 -1.58 0.00 0.00 0.00 175.10 174.52 1i6j s GLN 113 N 1.78 4.30 -0.82 2.72 0.74 -1.26 0.13 119.66 127.24 1i6j s GLN 113 Ca 0.02 0.59 -0.19 0.00 0.05 0.00 0.00 55.36 55.82 1i6j s GLN 113 Cb -0.15 -3.38 0.12 0.00 1.10 0.00 0.00 33.01 30.70 1i6j s GLN 113 CO -0.07 0.28 1.02 0.34 -0.55 0.00 0.00 175.29 176.31 1i6j s ASP 114 N 0.16 6.49 -0.13 6.67 2.15 -0.03 -4.84 116.67 127.14 1i6j s ASP 114 Ca 0.29 -1.79 0.11 0.00 0.43 0.00 0.00 52.55 51.59 1i6j s ASP 114 Cb -0.17 -2.38 0.55 0.00 -0.30 0.00 0.00 42.92 40.63 1i6j s ASP 114 CO 0.14 -1.12 1.38 0.18 -0.17 0.00 0.00 175.17 175.58 1i6j n LEU 115 N 6.59 3.97 -0.34 -1.34 4.77 -1.26 -4.12 117.00 125.26 1i6j n LEU 115 Ca 0.13 -2.01 0.02 0.00 -0.03 0.00 0.00 56.01 54.13 1i6j n LEU 115 Cb 0.47 -0.56 0.16 0.00 -2.33 0.00 0.00 43.42 41.16 1i6j n LEU 115 CO 0.53 0.56 1.23 0.03 -1.33 0.00 0.00 177.39 178.41 1i6j h ARG 116 N 2.88 1.04 0.00 3.23 3.08 -1.88 0.23 114.38 122.96 1i6j h ARG 116 Ca 0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1i6j h ARG 116 Cb 1.34 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1i6j h ARG 116 CO 0.26 0.69 -0.30 0.93 -1.07 0.00 0.00 179.97 180.48 1i6j h GLU 117 N 1.07 0.00 0.11 0.04 4.39 -2.00 -1.83 114.58 116.36 1i6j h GLU 117 Ca 0.41 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.93 1i6j h GLU 117 Cb 0.18 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1i6j h GLU 117 CO -0.18 0.30 -0.78 0.28 -1.16 0.00 0.00 179.01 177.47 1i6j h VAL 118 N 0.00 1.49 -0.98 3.13 2.07 -1.66 -3.26 116.25 117.04 1i6j h VAL 118 Ca -0.00 -2.44 0.08 0.00 0.82 0.00 0.00 66.70 65.15 1i6j h VAL 118 Cb 0.80 3.07 -0.07 0.00 -1.52 0.00 0.00 31.29 33.57 1i6j h VAL 118 CO 0.04 0.70 0.62 0.78 0.02 0.00 0.00 177.57 179.72 1i6j h ASN 119 N -0.31 0.97 0.05 0.57 2.35 -0.41 -0.91 115.58 117.88 1i6j h ASN 119 Ca -0.13 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1i6j h ASN 119 Cb 1.58 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.77 1i6j h ASN 119 CO 0.15 0.59 -0.04 0.11 -1.65 0.00 0.00 177.43 176.59 1i6j h LYS 120 N 1.09 0.00 -0.02 0.81 1.57 -1.41 -2.81 116.57 115.79 1i6j h LYS 120 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1i6j h LYS 120 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1i6j h LYS 120 CO -0.20 0.04 -0.15 0.54 -0.57 0.00 0.00 179.45 179.11 1i6j n ARG 121 N -4.39 1.79 -3.56 3.15 1.74 -0.38 -4.92 116.66 110.09 1i6j n ARG 121 Ca -0.03 -1.39 -0.37 0.00 -0.77 0.00 0.00 57.85 55.29 1i6j n ARG 121 Cb 0.12 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 1i6j n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1i6j s VAL 122 N -2.17 5.26 0.26 1.55 1.01 -0.97 -1.11 120.40 124.22 1i6j s VAL 122 Ca 0.27 0.60 -0.31 0.00 0.00 0.00 0.00 61.98 62.54 1i6j s VAL 122 Cb 0.20 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 1i6j s VAL 122 CO 0.40 0.46 1.54 1.21 0.00 0.00 0.00 175.10 178.71 1i6j n GLU 123 N 2.95 2.46 -1.86 2.72 4.07 -0.63 -4.67 120.64 125.67 1i6j n GLU 123 Ca -0.13 0.88 -0.33 0.00 -0.06 0.00 0.00 57.16 57.51 1i6j n GLU 123 Cb 0.52 -2.62 0.04 0.00 -0.06 0.00 0.00 31.44 29.32 1i6j n GLU 123 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1i6j s ASP 124 N 0.48 5.24 0.09 4.31 1.01 -1.26 -4.93 116.67 121.62 1i6j s ASP 124 Ca 0.67 2.03 0.05 0.00 0.71 0.00 0.00 52.55 56.01 1i6j s ASP 124 Cb -0.56 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 40.79 1i6j s ASP 124 CO 0.47 -1.54 -0.14 0.27 0.21 0.00 0.00 175.17 174.45 1i6j s ILE 125 N -2.24 1.17 0.14 0.77 -4.36 -1.26 -5.11 121.20 110.31 1i6j s ILE 125 Ca 0.68 -1.48 -0.31 0.00 -0.26 0.00 0.00 60.65 59.27 1i6j s ILE 125 Cb -0.21 -1.26 -0.09 0.00 1.25 0.00 0.00 42.46 42.15 1i6j s ILE 125 CO 0.39 -0.33 1.48 -2.28 0.24 0.00 0.00 174.94 174.44 1i6j s HIS 126 N -1.70 3.15 -0.30 1.37 5.65 -1.26 -4.93 115.29 117.27 1i6j s HIS 126 Ca 0.03 0.79 -0.29 0.00 0.25 0.00 0.00 55.06 55.83 1i6j s HIS 126 Cb -0.07 -3.80 -0.01 0.00 -1.18 0.00 0.00 32.58 27.51 1i6j s HIS 126 CO 0.02 -2.91 1.58 -2.14 -0.65 0.00 0.00 174.74 170.65 1i6j s PRO 127 N 1.14 3.63 0.00 2.88 0.02 -1.26 -4.87 135.00 136.54 1i6j s PRO 127 Ca 0.67 1.38 0.20 0.00 0.02 0.00 0.00 61.00 63.27 1i6j s PRO 127 Cb -0.40 -4.06 0.06 0.00 0.02 0.00 0.00 34.50 30.12 1i6j s PRO 127 CO 0.31 -1.49 1.04 0.25 -0.33 0.00 0.00 177.00 176.77 1i6j n THR 128 N 6.83 0.00 -2.37 0.99 -2.24 -1.26 -4.93 114.28 111.29 1i6j n THR 128 Ca 0.19 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1i6j n THR 128 Cb 0.46 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 1i6j n THR 128 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1i6j s VAL 129 N -1.99 4.06 0.67 2.28 1.01 -1.26 -5.00 120.40 120.17 1i6j s VAL 129 Ca 0.19 1.40 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 1i6j s VAL 129 Cb 0.16 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1i6j s VAL 129 CO 0.40 -0.01 1.10 -2.84 0.00 0.00 0.00 175.10 173.75 1i6j s PRO 130 N 2.36 2.76 0.29 2.72 0.02 -1.26 -5.01 135.00 136.89 1i6j s PRO 130 Ca 0.59 1.34 -0.26 0.00 0.02 0.00 0.00 61.00 62.68 1i6j s PRO 130 Cb -0.27 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1i6j s PRO 130 CO 0.23 -1.27 0.91 0.54 -0.33 0.00 0.00 177.00 177.07 1i6j s ASN 131 N -2.74 7.35 0.33 2.53 2.20 -1.26 -4.85 114.94 118.50 1i6j s ASN 131 Ca 0.66 1.79 0.12 0.00 -0.94 0.00 0.00 52.86 54.49 1i6j s ASN 131 Cb -0.20 -2.56 1.04 0.00 -2.00 0.00 0.00 41.25 37.54 1i6j s ASN 131 CO 0.44 -0.01 1.64 -0.65 -2.94 0.00 0.00 177.10 175.58 1i6j h PRO 132 N 3.41 0.22 0.08 3.55 0.11 -1.97 -0.83 132.00 136.57 1i6j h PRO 132 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1i6j h PRO 132 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1i6j h PRO 132 CO 0.65 0.15 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.52 1i6j h TYR 133 N 0.23 -0.40 -0.41 0.65 5.03 -1.97 -1.12 116.97 118.97 1i6j h TYR 133 Ca 0.71 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.93 1i6j h TYR 133 Cb 1.64 0.17 -0.02 0.00 1.55 0.00 0.00 36.73 40.07 1i6j h TYR 133 CO -0.09 -0.23 -0.16 -0.91 -1.32 0.00 0.00 178.16 175.45 1i6j h ASN 134 N -0.30 0.77 -0.65 -2.11 2.35 -1.59 -3.04 115.58 111.01 1i6j h ASN 134 Ca 0.03 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1i6j h ASN 134 Cb 0.32 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1i6j h ASN 134 CO -0.09 0.93 0.41 0.25 -1.65 0.00 0.00 177.43 177.28 1i6j h LEU 135 N 0.69 0.76 -1.71 1.61 5.85 -0.90 -2.41 115.31 119.21 1i6j h LEU 135 Ca 0.11 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1i6j h LEU 135 Cb 0.65 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1i6j h LEU 135 CO 0.05 0.57 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.59 1i6j h LEU 136 N 0.88 0.00 -0.35 2.25 -0.00 -1.12 -2.62 115.31 114.35 1i6j h LEU 136 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1i6j h LEU 136 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1i6j h LEU 136 CO -0.05 0.06 0.00 -1.54 -0.00 0.00 0.00 178.44 176.91 1i6j n SER 137 N -3.24 0.21 -1.74 -0.43 3.41 -0.90 -2.17 113.62 108.76 1i6j n SER 137 Ca -0.00 0.57 -0.06 0.00 -0.26 0.00 0.00 58.87 59.11 1i6j n SER 137 Cb 0.28 -0.61 0.22 0.00 -0.26 0.00 0.00 64.21 63.84 1i6j n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6j n GLY 138 N -0.64 3.24 3.13 5.00 0.00 -0.99 -4.80 105.19 110.14 1i6j n GLY 138 Ca 0.01 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1i6j n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i6j s LEU 139 N -2.27 4.47 0.78 0.99 0.20 -0.92 -5.00 118.68 116.93 1i6j s LEU 139 Ca 0.42 -1.66 -0.12 0.00 0.69 0.00 0.00 54.13 53.45 1i6j s LEU 139 Cb 0.34 -1.74 0.07 0.00 -0.43 0.00 0.00 46.19 44.43 1i6j s LEU 139 CO 0.10 -0.37 1.14 -2.84 -0.29 0.00 0.00 176.35 174.09 1i6j s PRO 140 N 1.16 1.98 0.44 0.98 0.02 -1.26 -4.93 135.00 133.39 1i6j s PRO 140 Ca 0.02 1.46 0.23 0.00 0.02 0.00 0.00 61.00 62.73 1i6j s PRO 140 Cb -0.21 -1.84 0.94 0.00 0.02 0.00 0.00 34.50 33.41 1i6j s PRO 140 CO -0.03 -1.89 1.84 -1.35 -0.33 0.00 0.00 177.00 175.23 1i6j h PRO 141 N -0.91 0.00 -0.51 5.54 0.11 -1.99 -3.05 132.00 131.19 1i6j h PRO 141 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1i6j h PRO 141 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1i6j h PRO 141 CO 0.49 0.24 0.27 0.66 -0.21 0.00 0.00 178.00 179.45 1i6j h SER 142 N 0.00 0.62 -3.15 -2.05 4.64 -1.97 -3.37 113.55 108.28 1i6j h SER 142 Ca -0.00 -0.04 -0.75 0.00 -0.47 0.00 0.00 61.79 60.52 1i6j h SER 142 Cb 0.73 -0.16 -0.23 0.00 -0.31 0.00 0.00 62.40 62.43 1i6j h SER 142 CO 0.03 0.51 -0.24 -1.00 -0.87 0.00 0.00 176.83 175.27 1i6j s HIS 143 N -5.48 3.24 -0.25 4.77 3.76 -1.15 -4.45 115.29 115.73 1i6j s HIS 143 Ca -0.09 -1.15 0.04 0.00 -0.15 0.00 0.00 55.06 53.71 1i6j s HIS 143 Cb 0.17 -3.61 0.11 0.00 1.11 0.00 0.00 32.58 30.36 1i6j s HIS 143 CO 0.76 -0.96 1.09 1.04 -0.85 0.00 0.00 174.74 175.81 1i6j n GLN 144 N 5.29 2.86 -3.68 1.40 6.02 -0.83 -4.71 117.38 123.74 1i6j n GLN 144 Ca -0.13 -1.74 -0.38 0.00 -0.01 0.00 0.00 57.00 54.73 1i6j n GLN 144 Cb 0.41 -1.12 -0.12 0.00 1.02 0.00 0.00 30.24 30.43 1i6j n GLN 144 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1i6j s TRP 145 N -1.16 3.17 0.25 1.08 0.52 -0.82 -4.45 118.94 117.54 1i6j s TRP 145 Ca 0.09 -0.66 0.10 0.00 0.02 0.00 0.00 56.10 55.64 1i6j s TRP 145 Cb 0.06 -2.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 1i6j s TRP 145 CO 0.04 -0.48 -0.03 0.71 0.02 0.00 0.00 176.95 177.21 1i6j s TYR 146 N 1.59 2.67 -0.08 -1.98 4.12 0.46 -0.69 117.35 123.43 1i6j s TYR 146 Ca 0.04 -0.23 -0.03 0.00 0.02 0.00 0.00 57.07 56.87 1i6j s TYR 146 Cb -0.17 -1.19 0.04 0.00 -1.52 0.00 0.00 41.96 39.12 1i6j s TYR 146 CO 0.05 0.61 0.17 0.99 0.02 0.00 0.00 175.55 177.40 1i6j s THR 147 N -2.25 -0.09 -0.16 -0.71 2.01 -0.73 -0.03 115.64 113.67 1i6j s THR 147 Ca 0.30 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1i6j s THR 147 Cb -0.07 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1i6j s THR 147 CO 0.19 0.08 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.32 1i6j s VAL 148 N 1.41 2.28 0.00 3.82 1.01 0.73 -0.94 120.40 128.71 1i6j s VAL 148 Ca -0.07 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1i6j s VAL 148 Cb -0.11 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1i6j s VAL 148 CO -0.07 0.53 -0.24 -0.76 0.00 0.00 0.00 175.10 174.56 1i6j s LEU 149 N 0.94 2.09 -0.17 3.92 1.43 -0.32 -1.48 118.68 125.08 1i6j s LEU 149 Ca -0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1i6j s LEU 149 Cb -0.15 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1i6j s LEU 149 CO -0.04 0.28 -0.16 -1.81 0.23 0.00 0.00 176.35 174.85 1i6j s ASP 150 N -0.79 3.54 -0.07 2.29 1.01 -1.26 -0.50 116.67 120.88 1i6j s ASP 150 Ca 0.10 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.54 1i6j s ASP 150 Cb -0.09 -1.55 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 1i6j s ASP 150 CO 0.00 0.04 0.98 -0.76 0.21 0.00 0.00 175.17 175.64 1i6j s LEU 151 N 1.08 4.29 0.12 1.23 1.43 0.27 -0.46 118.68 126.64 1i6j s LEU 151 Ca -0.00 1.55 -0.28 0.00 -1.03 0.00 0.00 54.13 54.36 1i6j s LEU 151 Cb -0.14 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1i6j s LEU 151 CO -0.05 -0.37 0.89 -0.75 0.23 0.00 0.00 176.35 176.29 1i6j s LYS 152 N 1.64 4.66 -1.50 1.70 2.47 0.17 -3.94 119.74 124.94 1i6j s LYS 152 Ca 0.49 1.33 -0.01 0.00 -1.56 0.00 0.00 55.97 56.22 1i6j s LYS 152 Cb -0.19 -3.34 0.01 0.00 -1.46 0.00 0.00 37.83 32.84 1i6j s LYS 152 CO 0.21 0.33 0.18 -0.25 0.16 0.00 0.00 175.35 175.98 1i6j n ASP 153 N 2.41 0.38 0.11 1.43 8.00 -1.26 -4.60 116.55 123.02 1i6j n ASP 153 Ca -0.01 -1.17 -0.14 0.00 0.71 0.00 0.00 54.79 54.18 1i6j n ASP 153 Cb 0.49 -2.17 -0.07 0.00 -0.02 0.00 0.00 41.12 39.35 1i6j n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i6j h ALA 154 N 0.81 -0.69 -0.76 2.24 0.00 -1.92 -2.74 119.26 116.19 1i6j h ALA 154 Ca -0.65 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.28 1i6j h ALA 154 Cb 1.39 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 1i6j h ALA 154 CO 0.68 -0.96 0.42 0.74 0.00 0.00 0.00 179.25 180.13 1i6j h PHE 155 N -0.63 0.76 0.00 0.00 0.04 -1.89 -0.10 116.94 115.12 1i6j h PHE 155 Ca 0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1i6j h PHE 155 Cb 0.66 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1i6j h PHE 155 CO -0.35 0.31 0.07 0.74 -0.60 0.00 0.00 178.31 178.48 1i6j h PHE 156 N 0.72 0.00 0.00 -0.55 0.04 -1.58 -0.62 116.94 114.94 1i6j h PHE 156 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 1i6j h PHE 156 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1i6j h PHE 156 CO -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.63 1i6j s LEU 158 N -5.52 4.08 0.55 0.00 1.43 -0.24 0.27 118.68 119.25 1i6j s LEU 158 Ca 0.04 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1i6j s LEU 158 Cb 0.09 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1i6j s LEU 158 CO 0.53 -0.15 1.14 -0.13 0.23 0.00 0.00 176.35 177.98 1i6j s ARG 159 N 1.93 3.27 -0.12 1.70 0.52 -1.26 -1.01 118.95 123.98 1i6j s ARG 159 Ca 0.11 1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 56.94 1i6j s ARG 159 Cb -0.16 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.29 1i6j s ARG 159 CO 0.11 -0.92 0.01 -0.51 0.02 0.00 0.00 175.30 174.00 1i6j s LEU 160 N -3.87 3.57 0.41 2.53 1.43 -0.16 -1.04 118.68 121.55 1i6j s LEU 160 Ca 0.74 0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.66 1i6j s LEU 160 Cb -0.25 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.04 1i6j s LEU 160 CO 0.28 0.30 1.34 -2.28 0.23 0.00 0.00 176.35 176.22 1i6j s HIS 161 N -0.43 2.73 0.45 0.29 5.65 0.12 -4.65 115.29 119.45 1i6j s HIS 161 Ca 0.08 1.37 0.23 0.00 0.25 0.00 0.00 55.06 56.99 1i6j s HIS 161 Cb -0.12 -3.74 1.23 0.00 -1.18 0.00 0.00 32.58 28.77 1i6j s HIS 161 CO 0.02 -2.31 1.81 -1.35 -0.65 0.00 0.00 174.74 172.27 1i6j h PRO 162 N 2.63 0.27 0.00 2.88 0.11 -1.95 0.13 132.00 136.06 1i6j h PRO 162 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1i6j h PRO 162 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1i6j h PRO 162 CO 0.62 0.18 -0.32 1.15 -0.21 0.00 0.00 178.00 179.42 1i6j h THR 163 N 0.27 1.16 0.00 -1.15 2.02 -1.93 -3.09 112.91 110.19 1i6j h THR 163 Ca 0.54 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1i6j h THR 163 Cb 1.60 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1i6j h THR 163 CO -0.18 0.32 -0.94 -1.20 0.37 0.00 0.00 175.52 173.89 1i6j n SER 164 N -4.05 0.67 -0.19 4.18 7.64 0.40 -4.47 113.62 117.80 1i6j n SER 164 Ca -0.02 -0.43 -0.07 0.00 1.01 0.00 0.00 58.87 59.37 1i6j n SER 164 Cb 0.37 0.77 0.03 0.00 -1.01 0.00 0.00 64.21 64.37 1i6j n SER 164 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1i6j h GLN 165 N 0.00 0.72 -0.79 1.43 4.20 -1.34 -2.94 115.11 116.39 1i6j h GLN 165 Ca 0.00 -0.05 0.23 0.00 0.06 0.00 0.00 58.65 58.89 1i6j h GLN 165 Cb 0.62 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1i6j h GLN 165 CO 0.00 0.48 0.62 -1.35 -0.67 0.00 0.00 178.83 177.91 1i6j h PRO 166 N 0.74 0.00 -0.83 1.46 0.11 -1.78 -2.27 132.00 129.43 1i6j h PRO 166 Ca 0.20 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.42 1i6j h PRO 166 Cb -0.08 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 30.97 1i6j h PRO 166 CO -0.04 0.00 0.54 1.25 -0.21 0.00 0.00 178.00 179.54 1i6j h LEU 167 N 0.00 0.67 -3.75 2.35 5.85 -1.82 -2.94 115.31 115.67 1i6j h LEU 167 Ca 0.38 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.90 1i6j h LEU 167 Cb 1.61 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 42.39 1i6j h LEU 167 CO -0.00 0.39 0.28 0.49 -0.34 0.00 0.00 178.44 179.26 1i6j n PHE 168 N -4.52 2.52 -1.84 1.25 3.72 -0.85 -4.72 117.46 113.01 1i6j n PHE 168 Ca 0.15 -1.21 -0.33 0.00 -0.05 0.00 0.00 57.45 56.00 1i6j n PHE 168 Cb 0.36 -0.70 0.04 0.00 -0.94 0.00 0.00 39.48 38.24 1i6j n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i6j s ALA 169 N -2.99 2.52 0.18 4.37 0.00 -1.11 -4.48 121.76 120.24 1i6j s ALA 169 Ca 0.56 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1i6j s ALA 169 Cb 0.44 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 20.25 1i6j s ALA 169 CO 0.14 -1.17 0.37 -0.59 0.00 0.00 0.00 175.76 174.51 1i6j s PHE 170 N -2.28 0.20 0.12 0.00 -0.71 -0.30 -1.75 117.98 113.26 1i6j s PHE 170 Ca 0.67 -0.55 -0.17 0.00 -1.04 0.00 0.00 56.93 55.84 1i6j s PHE 170 Cb -0.21 0.12 -0.07 0.00 -1.21 0.00 0.00 43.02 41.65 1i6j s PHE 170 CO 0.39 -0.79 0.58 -1.21 -1.34 0.00 0.00 175.22 172.85 1i6j s GLU 171 N -3.93 4.11 -0.07 1.99 2.02 -1.26 -0.65 118.70 120.91 1i6j s GLU 171 Ca 0.14 0.65 -0.01 0.00 0.02 0.00 0.00 54.97 55.77 1i6j s GLU 171 Cb 0.02 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.21 1i6j s GLU 171 CO -0.01 0.54 -0.01 -0.46 0.02 0.00 0.00 175.26 175.35 1i6j s TRP 172 N -1.31 0.70 -0.08 1.61 -0.11 -0.18 -4.88 118.94 114.70 1i6j s TRP 172 Ca 0.34 -0.19 0.03 0.00 1.22 0.00 0.00 56.10 57.50 1i6j s TRP 172 Cb -0.17 -0.79 -0.02 0.00 -1.50 0.00 0.00 33.47 30.99 1i6j s TRP 172 CO 0.19 -0.32 -0.18 1.03 -4.62 0.00 0.00 176.95 173.06 1i6j s ARG 173 N 1.82 2.81 -0.09 5.86 3.00 -1.26 -4.26 118.95 126.83 1i6j s ARG 173 Ca 0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 55.73 54.96 1i6j s ARG 173 Cb -0.12 -2.38 0.05 0.00 0.00 0.00 0.00 34.95 32.49 1i6j s ARG 173 CO -0.05 0.40 0.18 0.34 0.00 0.00 0.00 175.30 176.18 1i6j s ASP 174 N -0.18 0.54 0.42 0.23 3.68 -1.26 -5.03 116.67 115.06 1i6j s ASP 174 Ca -0.01 0.39 0.22 0.00 2.13 0.00 0.00 52.55 55.27 1i6j s ASP 174 Cb -0.14 0.35 1.20 0.00 -1.45 0.00 0.00 42.92 42.88 1i6j s ASP 174 CO 0.03 -0.23 1.74 -0.65 0.13 0.00 0.00 175.17 176.20 1i6j h PRO 175 N 8.17 0.29 -3.03 4.34 0.11 -1.99 -3.41 132.00 136.49 1i6j h PRO 175 Ca -0.18 -0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.48 1i6j h PRO 175 Cb 1.12 -0.07 -0.40 0.00 0.11 0.00 0.00 31.00 31.76 1i6j h PRO 175 CO 0.18 0.20 -0.74 -2.00 -0.21 0.00 0.00 178.00 175.43 1i6j s GLU 176 N -5.41 0.06 -0.20 1.05 2.12 -1.26 -5.01 118.70 110.05 1i6j s GLU 176 Ca -0.08 -0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 1i6j s GLU 176 Cb 0.26 -1.64 0.00 0.00 0.26 0.00 0.00 34.13 33.01 1i6j s GLU 176 CO 0.80 -0.63 0.02 -0.12 -0.54 0.00 0.00 175.26 174.79 1i6j n MET 177 N 5.29 -2.27 0.00 4.30 0.00 -1.26 -5.02 117.12 118.16 1i6j n MET 177 Ca -0.06 2.02 0.00 0.00 0.00 0.00 0.00 57.70 59.65 1i6j n MET 177 Cb 0.49 -3.71 0.00 0.00 0.00 0.00 0.00 33.22 30.00 1i6j n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i6j n GLY 178 N 0.90 2.47 3.93 -5.12 0.00 -1.26 -5.10 105.19 101.01 1i6j n GLY 178 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1i6j n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i6j s ILE 179 N 2.18 4.84 -0.92 -0.61 1.09 -1.26 -5.05 121.20 121.47 1i6j s ILE 179 Ca 0.00 -1.10 0.10 0.00 -1.10 0.00 0.00 60.65 58.55 1i6j s ILE 179 Cb 0.00 -3.67 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1i6j s ILE 179 CO 0.00 -0.30 0.63 -1.54 -0.10 0.00 0.00 174.94 173.63 1i6j n SER 180 N -1.39 1.21 0.00 3.58 3.41 -1.26 -4.59 113.62 114.58 1i6j n SER 180 Ca -0.07 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1i6j n SER 180 Cb 0.57 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 1i6j n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6j n GLY 181 N 0.89 0.07 3.95 5.00 0.00 -1.26 -5.05 105.19 108.78 1i6j n GLY 181 Ca 0.04 0.51 -0.23 0.00 0.00 0.00 0.00 46.02 46.34 1i6j n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6j s GLN 182 N 2.04 3.47 0.07 1.61 -0.21 -1.25 -1.01 119.66 124.38 1i6j s GLN 182 Ca 0.00 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 54.98 1i6j s GLN 182 Cb 0.00 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 1i6j s GLN 182 CO 0.00 0.20 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.80 1i6j s LEU 183 N -4.26 2.45 0.24 2.90 1.43 0.17 -2.40 118.68 119.20 1i6j s LEU 183 Ca 0.39 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1i6j s LEU 183 Cb -0.09 0.00 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 1i6j s LEU 183 CO 0.35 -0.45 0.44 0.28 0.23 0.00 0.00 176.35 177.19 1i6j s THR 184 N -3.20 0.00 0.12 5.49 -1.32 -0.50 -1.15 115.64 115.09 1i6j s THR 184 Ca 0.05 -1.45 -0.13 0.00 -1.21 0.00 0.00 61.69 58.96 1i6j s THR 184 Cb 0.03 -2.20 -0.07 0.00 -1.51 0.00 0.00 72.50 68.75 1i6j s THR 184 CO -0.05 -0.02 0.50 0.26 -2.21 0.00 0.00 174.62 173.10 1i6j s TRP 185 N -4.03 3.60 -2.22 9.09 0.52 -1.26 -1.45 118.94 123.19 1i6j s TRP 185 Ca 0.23 0.96 0.18 0.00 0.02 0.00 0.00 56.10 57.50 1i6j s TRP 185 Cb 0.00 -2.29 0.13 0.00 -1.15 0.00 0.00 33.47 30.16 1i6j s TRP 185 CO 0.09 0.46 1.06 0.25 0.02 0.00 0.00 176.95 178.83 1i6j n THR 186 N 0.82 0.00 -4.33 2.01 -2.24 0.05 -4.67 114.28 105.92 1i6j n THR 186 Ca -0.06 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.07 1i6j n THR 186 Cb 0.52 1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 70.01 1i6j n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1i6j s ARG 187 N -1.59 1.30 -0.01 -0.78 1.81 -1.26 -0.99 118.95 117.43 1i6j s ARG 187 Ca 0.21 -1.62 -0.34 0.00 -1.72 0.00 0.00 55.73 52.26 1i6j s ARG 187 Cb 0.15 -0.80 -0.12 0.00 -0.45 0.00 0.00 34.95 33.73 1i6j s ARG 187 CO 0.25 0.02 1.82 -0.11 -0.68 0.00 0.00 175.30 176.60 1i6j n LEU 188 N -0.39 3.48 -4.95 2.53 7.94 -0.18 -4.71 117.00 120.72 1i6j n LEU 188 Ca -0.07 0.99 -0.23 0.00 -1.11 0.00 0.00 56.01 55.59 1i6j n LEU 188 Cb 0.62 -1.41 0.01 0.00 0.53 0.00 0.00 43.42 43.18 1i6j n LEU 188 CO 0.36 -0.07 0.29 -2.16 -1.11 0.00 0.00 177.39 174.70 1i6j s PRO 189 N 3.33 3.10 0.49 1.96 0.04 -1.26 -3.78 135.00 138.88 1i6j s PRO 189 Ca 0.89 -0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.29 1i6j s PRO 189 Cb -0.65 -2.55 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1i6j s PRO 189 CO 0.47 -0.26 1.04 -0.65 0.04 0.00 0.00 177.00 177.64 1i6j s GLN 190 N -4.56 3.79 0.00 4.56 -1.52 -1.26 -3.52 119.66 117.14 1i6j s GLN 190 Ca 0.48 1.34 0.00 0.00 -1.95 0.00 0.00 55.36 55.23 1i6j s GLN 190 Cb -0.10 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 1i6j s GLN 190 CO 0.38 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 1i6j n GLY 191 N -0.33 2.00 3.67 3.09 0.00 -1.26 -4.84 105.19 107.52 1i6j n GLY 191 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1i6j n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i6j s PHE 192 N -3.03 3.42 0.50 1.61 5.36 -1.23 -4.60 117.98 120.01 1i6j s PHE 192 Ca 0.00 1.23 0.29 0.00 -0.96 0.00 0.00 56.93 57.49 1i6j s PHE 192 Cb 0.00 -2.99 1.39 0.00 -0.34 0.00 0.00 43.02 41.08 1i6j s PHE 192 CO 0.00 -0.22 1.83 1.57 -1.46 0.00 0.00 175.22 176.94 1i6j h LYS 193 N 7.33 0.12 -0.19 10.12 2.10 -1.92 -1.74 116.57 132.39 1i6j h LYS 193 Ca -0.30 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1i6j h LYS 193 Cb 1.13 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1i6j h LYS 193 CO 0.83 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 178.44 1i6j n ASN 194 N -4.33 2.77 -0.12 7.07 3.02 -1.26 -4.54 115.26 117.85 1i6j n ASN 194 Ca 0.22 -1.89 -0.07 0.00 -0.03 0.00 0.00 54.58 52.81 1i6j n ASN 194 Cb 1.02 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 40.08 1i6j n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i6j h SER 195 N 3.90 0.38 -0.24 6.41 0.02 -1.62 -1.17 113.55 121.23 1i6j h SER 195 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1i6j h SER 195 Cb 0.85 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1i6j h SER 195 CO 0.00 0.27 -0.00 -0.65 -1.14 0.00 0.00 176.83 175.31 1i6j h PRO 196 N 0.47 0.07 -0.35 3.45 0.11 -1.80 -0.67 132.00 133.28 1i6j h PRO 196 Ca 0.16 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 1i6j h PRO 196 Cb 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1i6j h PRO 196 CO -0.07 0.04 0.01 1.15 -0.21 0.00 0.00 178.00 178.93 1i6j h THR 197 N 0.07 1.25 -0.43 -1.15 2.02 -1.84 -1.49 112.91 111.34 1i6j h THR 197 Ca 0.12 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 1i6j h THR 197 Cb 0.15 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1i6j h THR 197 CO -0.20 0.31 0.01 -0.07 0.37 0.00 0.00 175.52 175.95 1i6j h LEU 198 N 0.43 0.65 -0.10 2.58 3.38 -1.05 -1.40 115.31 119.79 1i6j h LEU 198 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1i6j h LEU 198 Cb 0.43 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1i6j h LEU 198 CO 0.02 0.71 -0.15 0.15 0.09 0.00 0.00 178.44 179.25 1i6j h PHE 199 N 0.65 0.35 -0.70 1.13 3.57 -1.01 -1.68 116.94 119.25 1i6j h PHE 199 Ca 0.13 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1i6j h PHE 199 Cb 0.38 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1i6j h PHE 199 CO 0.02 0.74 0.38 0.22 -2.23 0.00 0.00 178.31 177.44 1i6j h ASP 200 N -0.14 0.55 -0.45 0.41 3.58 -1.07 -0.66 116.42 118.64 1i6j h ASP 200 Ca 0.01 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1i6j h ASP 200 Cb 0.71 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1i6j h ASP 200 CO 0.03 0.35 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.31 1i6j h GLU 201 N 0.69 0.87 -0.51 0.28 5.08 -1.26 -1.50 114.58 118.23 1i6j h GLU 201 Ca 0.32 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1i6j h GLU 201 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1i6j h GLU 201 CO -0.21 0.97 0.23 0.00 -1.00 0.00 0.00 179.01 179.00 1i6j h ALA 202 N 0.87 0.66 -0.18 3.43 0.00 -0.69 -1.87 119.26 121.49 1i6j h ALA 202 Ca 0.12 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1i6j h ALA 202 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1i6j h ALA 202 CO 0.04 0.24 -0.38 1.25 0.00 0.00 0.00 179.25 180.41 1i6j h LEU 203 N 0.68 0.41 -0.93 0.00 5.85 -1.09 -1.68 115.31 118.56 1i6j h LEU 203 Ca 0.17 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1i6j h LEU 203 Cb 0.15 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1i6j h LEU 203 CO -0.02 0.76 0.44 0.45 -0.34 0.00 0.00 178.44 179.73 1i6j h HIS 204 N 0.33 1.19 -0.50 1.25 3.86 -0.91 -0.15 115.15 120.23 1i6j h HIS 204 Ca 0.03 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 1i6j h HIS 204 Cb 0.82 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1i6j h HIS 204 CO 0.02 0.84 0.01 0.00 0.86 0.00 0.00 177.93 179.66 1i6j h ARG 205 N 1.20 0.87 0.00 2.45 3.08 -0.88 -1.84 114.38 119.26 1i6j h ARG 205 Ca 0.30 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1i6j h ARG 205 Cb 0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1i6j h ARG 205 CO -0.04 0.91 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.20 1i6j h ASP 206 N 0.74 0.00 -0.34 7.04 3.32 -0.71 -3.08 116.42 123.39 1i6j h ASP 206 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1i6j h ASP 206 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1i6j h ASP 206 CO 0.02 0.13 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 1i6j n LEU 207 N -3.27 3.00 -0.04 1.55 4.77 -0.12 -4.55 117.00 118.33 1i6j n LEU 207 Ca 0.00 -1.66 -0.09 0.00 -0.03 0.00 0.00 56.01 54.24 1i6j n LEU 207 Cb 0.38 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1i6j n LEU 207 CO 0.31 0.69 0.91 0.00 -1.33 0.00 0.00 177.39 177.97 1i6j h ALA 208 N 3.02 0.23 -0.52 -1.18 0.00 -1.24 -2.16 119.26 117.40 1i6j h ALA 208 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1i6j h ALA 208 Cb 0.78 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1i6j h ALA 208 CO 0.00 -0.36 0.33 0.22 0.00 0.00 0.00 179.25 179.45 1i6j h ASP 209 N 0.16 0.57 -0.67 0.00 3.58 -1.80 -2.33 116.42 115.93 1i6j h ASP 209 Ca 0.09 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.60 1i6j h ASP 209 Cb 0.07 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 1i6j h ASP 209 CO -0.10 0.41 0.35 0.15 -2.88 0.00 0.00 179.24 177.17 1i6j h PHE 210 N 0.68 0.64 -0.93 0.28 3.04 -1.77 0.84 116.94 119.71 1i6j h PHE 210 Ca 0.20 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.18 1i6j h PHE 210 Cb -0.05 -0.19 -0.05 0.00 2.56 0.00 0.00 35.95 38.23 1i6j h PHE 210 CO -0.05 0.27 0.60 0.00 -2.02 0.00 0.00 178.31 177.11 1i6j h ARG 211 N 0.63 1.23 -0.54 1.11 3.08 -0.99 -1.46 114.38 117.44 1i6j h ARG 211 Ca 0.31 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 1i6j h ARG 211 Cb 0.26 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1i6j h ARG 211 CO -0.22 0.83 0.02 0.82 -1.07 0.00 0.00 179.97 180.35 1i6j h ILE 212 N 1.26 1.25 -0.00 2.04 2.04 -0.66 -2.72 117.51 120.73 1i6j h ILE 212 Ca 0.34 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1i6j h ILE 212 Cb -0.12 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1i6j h ILE 212 CO -0.07 0.38 -0.04 0.00 0.00 0.00 0.00 178.15 178.42 1i6j n GLN 213 N -4.20 0.57 -3.19 2.37 1.13 0.15 -4.20 117.38 110.01 1i6j n GLN 213 Ca 0.03 -0.08 -0.22 0.00 -1.94 0.00 0.00 57.00 54.79 1i6j n GLN 213 Cb 0.31 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.11 1i6j n GLN 213 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1i6j n HIS 214 N -1.14 0.15 -0.21 1.08 8.25 -0.61 -4.97 115.22 117.77 1i6j n HIS 214 Ca 0.15 -3.70 0.10 0.00 -0.26 0.00 0.00 57.72 54.01 1i6j n HIS 214 Cb 0.24 -0.39 0.39 0.00 1.12 0.00 0.00 29.99 31.35 1i6j n HIS 214 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1i6j h PRO 215 N 3.56 0.65 0.00 -0.41 0.11 -1.72 -1.76 132.00 132.43 1i6j h PRO 215 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1i6j h PRO 215 Cb 0.90 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1i6j h PRO 215 CO 0.50 0.43 0.00 -0.25 -0.21 0.00 0.00 178.00 178.47 1i6j n ASP 216 N -4.51 0.00 -4.78 -2.05 9.92 -1.26 -4.80 116.55 109.07 1i6j n ASP 216 Ca 0.14 -0.50 -0.32 0.00 -0.53 0.00 0.00 54.79 53.58 1i6j n ASP 216 Cb 0.38 -0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 40.65 1i6j n ASP 216 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1i6j s LEU 217 N -2.26 3.87 -0.17 0.64 1.43 -0.66 -4.71 118.68 116.81 1i6j s LEU 217 Ca 0.33 0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1i6j s LEU 217 Cb 0.18 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1i6j s LEU 217 CO 0.35 0.25 0.01 -0.63 0.23 0.00 0.00 176.35 176.57 1i6j s ILE 218 N -1.24 4.31 -0.18 -0.59 -1.09 -0.44 -4.96 121.20 117.01 1i6j s ILE 218 Ca 0.24 -0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.46 1i6j s ILE 218 Cb -0.12 -2.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.88 1i6j s ILE 218 CO 0.16 0.47 -0.05 -0.22 -1.23 0.00 0.00 174.94 174.06 1i6j s LEU 219 N 0.46 1.85 -0.16 2.97 2.96 -1.26 0.24 118.68 125.73 1i6j s LEU 219 Ca -0.00 -0.80 -0.08 0.00 -0.22 0.00 0.00 54.13 53.03 1i6j s LEU 219 Cb -0.13 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 1i6j s LEU 219 CO 0.02 -0.20 0.10 -0.76 -1.32 0.00 0.00 176.35 174.19 1i6j s LEU 220 N 1.57 4.06 -0.15 -0.68 1.02 -0.08 -4.98 118.68 119.44 1i6j s LEU 220 Ca -0.01 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.39 1i6j s LEU 220 Cb -0.16 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.04 1i6j s LEU 220 CO -0.08 0.25 -0.21 -1.10 0.02 0.00 0.00 176.35 175.23 1i6j s GLN 221 N -0.09 3.01 -0.47 1.70 -0.21 -1.26 -2.04 119.66 120.30 1i6j s GLN 221 Ca 0.08 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.65 1i6j s GLN 221 Cb -0.12 -2.47 0.15 0.00 1.00 0.00 0.00 33.01 31.57 1i6j s GLN 221 CO 0.01 -0.07 0.31 -0.47 -2.12 0.00 0.00 175.29 172.95 1i6j s TYR 222 N 0.94 1.95 0.00 0.91 5.04 -0.63 -4.88 117.35 120.69 1i6j s TYR 222 Ca -0.04 -2.50 0.00 0.00 -2.44 0.00 0.00 57.07 52.09 1i6j s TYR 222 Cb -0.15 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.44 1i6j s TYR 222 CO -0.05 -0.75 0.00 0.28 -1.34 0.00 0.00 175.55 173.69 1i6j n VAL 223 N 3.14 0.00 -0.42 3.14 0.31 -1.26 -0.57 118.33 122.67 1i6j n VAL 223 Ca 0.16 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.60 1i6j n VAL 223 Cb 0.38 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.64 1i6j n VAL 223 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1i6j n ASP 224 N 9.74 4.13 -4.32 4.52 5.68 -1.26 -4.76 116.55 130.29 1i6j n ASP 224 Ca 0.00 -2.08 -0.38 0.00 -0.50 0.00 0.00 54.79 51.83 1i6j n ASP 224 Cb 0.00 -0.51 -0.12 0.00 -1.14 0.00 0.00 41.12 39.35 1i6j n ASP 224 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1i6j s ASP 225 N -0.98 5.41 -0.01 -1.12 1.01 0.27 -0.57 116.67 120.68 1i6j s ASP 225 Ca 0.50 -1.01 0.02 0.00 0.71 0.00 0.00 52.55 52.77 1i6j s ASP 225 Cb 0.27 -1.92 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 1i6j s ASP 225 CO 0.32 -0.32 -0.04 -0.76 0.21 0.00 0.00 175.17 174.59 1i6j s LEU 226 N 1.47 3.31 -0.09 1.23 1.43 0.34 -1.60 118.68 124.76 1i6j s LEU 226 Ca 0.00 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1i6j s LEU 226 Cb -0.19 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1i6j s LEU 226 CO 0.04 0.29 -0.03 -0.22 0.23 0.00 0.00 176.35 176.66 1i6j s LEU 227 N -1.40 0.85 -0.15 1.79 2.96 -0.87 -1.18 118.68 120.68 1i6j s LEU 227 Ca 0.17 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1i6j s LEU 227 Cb -0.11 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 1i6j s LEU 227 CO 0.08 -0.17 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.72 1i6j s LEU 228 N 1.86 3.47 -0.08 -0.68 2.96 -0.12 -0.90 118.68 125.20 1i6j s LEU 228 Ca 0.05 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1i6j s LEU 228 Cb -0.12 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 1i6j s LEU 228 CO -0.06 0.20 -0.22 0.00 -1.32 0.00 0.00 176.35 174.95 1i6j s ALA 229 N 0.18 1.98 0.31 5.97 0.00 0.14 -1.78 121.76 128.55 1i6j s ALA 229 Ca 0.01 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1i6j s ALA 229 Cb -0.13 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 1i6j s ALA 229 CO 0.02 0.30 0.02 0.00 0.00 0.00 0.00 175.76 176.10 1i6j s ALA 230 N 0.21 2.34 -0.07 0.00 0.00 0.13 -1.32 121.76 123.04 1i6j s ALA 230 Ca -0.12 -2.00 0.14 0.00 0.00 0.00 0.00 51.96 49.98 1i6j s ALA 230 Cb -0.16 0.48 -0.17 0.00 0.00 0.00 0.00 23.12 23.27 1i6j s ALA 230 CO 0.06 -0.22 0.80 1.79 0.00 0.00 0.00 175.76 178.19 1i6j h THR 231 N 2.18 0.73 -3.92 0.00 1.35 -1.84 -2.01 112.91 109.40 1i6j h THR 231 Ca -0.40 -2.40 -0.32 0.00 -0.55 0.00 0.00 66.41 62.73 1i6j h THR 231 Cb 1.24 2.27 -0.21 0.00 -1.73 0.00 0.00 68.15 69.72 1i6j h THR 231 CO 0.69 0.42 -0.75 -0.94 -0.25 0.00 0.00 175.52 174.69 1i6j s SER 232 N -6.00 1.22 0.26 5.36 1.04 -1.26 -4.65 113.70 109.68 1i6j s SER 232 Ca -0.03 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 1i6j s SER 232 Cb 0.08 0.01 0.54 0.00 0.10 0.00 0.00 66.02 66.75 1i6j s SER 232 CO 0.82 -0.18 1.70 -0.08 0.98 0.00 0.00 173.24 176.47 1i6j h GLU 233 N 4.24 0.34 -0.56 4.02 4.81 -1.96 -0.14 114.58 125.32 1i6j h GLU 233 Ca -0.38 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1i6j h GLU 233 Cb 1.20 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1i6j h GLU 233 CO 0.43 0.22 0.04 1.25 -0.73 0.00 0.00 179.01 180.23 1i6j h LEU 234 N 0.35 0.93 -1.74 1.64 5.85 -1.99 -0.63 115.31 119.72 1i6j h LEU 234 Ca 0.46 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1i6j h LEU 234 Cb 0.80 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1i6j h LEU 234 CO -0.50 0.99 -0.16 0.44 -0.34 0.00 0.00 178.44 178.87 1i6j h ASP 235 N 0.85 0.00 0.71 1.25 3.32 -1.51 0.15 116.42 121.19 1i6j h ASP 235 Ca 0.16 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.99 1i6j h ASP 235 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1i6j h ASP 235 CO 0.02 0.16 -1.01 0.00 -1.72 0.00 0.00 179.24 176.69 1i6j h GLN 237 N 0.07 0.34 -0.36 0.00 4.20 0.01 0.13 115.11 119.49 1i6j h GLN 237 Ca -0.06 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 1i6j h GLN 237 Cb 1.71 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1i6j h GLN 237 CO 0.15 0.79 0.00 1.96 -0.67 0.00 0.00 178.83 181.06 1i6j h GLN 238 N -0.08 0.64 -0.02 1.46 4.20 -0.80 -0.57 115.11 119.94 1i6j h GLN 238 Ca 0.01 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1i6j h GLN 238 Cb 0.76 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1i6j h GLN 238 CO 0.04 0.75 0.01 0.78 -0.67 0.00 0.00 178.83 179.74 1i6j h GLY 239 N 0.46 0.03 0.75 3.46 0.00 -0.93 -1.74 103.07 105.09 1i6j h GLY 239 Ca 0.10 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1i6j h GLY 239 CO 0.02 0.01 0.50 -0.84 0.00 0.00 0.00 176.54 176.23 1i6j h THR 240 N -0.07 1.05 -0.17 4.70 2.02 -0.64 0.44 112.91 120.23 1i6j h THR 240 Ca 0.01 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1i6j h THR 240 Cb 0.10 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1i6j h THR 240 CO -0.00 0.17 0.11 0.03 0.37 0.00 0.00 175.52 176.20 1i6j h ARG 241 N 0.93 0.23 -0.68 6.66 3.08 -0.89 -0.92 114.38 122.79 1i6j h ARG 241 Ca 0.35 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1i6j h ARG 241 Cb 0.14 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1i6j h ARG 241 CO -0.16 0.17 0.34 0.00 -1.07 0.00 0.00 179.97 179.24 1i6j h ALA 242 N 1.05 0.88 -0.34 0.04 0.00 -0.65 -0.97 119.26 119.26 1i6j h ALA 242 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1i6j h ALA 242 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1i6j h ALA 242 CO -0.01 0.43 0.13 1.25 0.00 0.00 0.00 179.25 181.04 1i6j h LEU 243 N 0.94 0.48 -0.78 0.00 5.85 -0.70 0.13 115.31 121.24 1i6j h LEU 243 Ca 0.24 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1i6j h LEU 243 Cb 0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1i6j h LEU 243 CO -0.03 0.53 0.42 -0.07 -0.34 0.00 0.00 178.44 178.94 1i6j h LEU 244 N 0.40 0.98 -0.28 2.25 -0.00 -1.03 0.86 115.31 118.49 1i6j h LEU 244 Ca 0.11 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1i6j h LEU 244 Cb 0.21 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1i6j h LEU 244 CO -0.01 0.81 0.16 -0.61 -0.00 0.00 0.00 178.44 178.79 1i6j h GLN 245 N 1.09 0.38 0.04 1.13 5.75 -0.84 -1.44 115.11 121.21 1i6j h GLN 245 Ca 0.27 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1i6j h GLN 245 Cb 0.05 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.52 1i6j h GLN 245 CO -0.04 0.31 -0.02 1.15 -2.65 0.00 0.00 178.83 177.58 1i6j h THR 246 N 0.35 1.11 -0.50 2.39 2.02 -0.59 -1.82 112.91 115.87 1i6j h THR 246 Ca 0.10 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 66.90 1i6j h THR 246 Cb 0.03 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1i6j h THR 246 CO -0.02 0.12 0.16 -0.07 0.37 0.00 0.00 175.52 176.07 1i6j h LEU 247 N -0.25 0.13 -0.15 2.58 3.38 -0.75 0.79 115.31 121.04 1i6j h LEU 247 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i6j h LEU 247 Cb 0.23 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1i6j h LEU 247 CO 0.01 0.10 0.10 1.23 0.09 0.00 0.00 178.44 179.97 1i6j h GLY 248 N 0.32 0.22 1.27 0.83 0.00 -1.20 -0.15 103.07 104.37 1i6j h GLY 248 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1i6j h GLY 248 CO -0.27 0.08 0.34 3.43 0.00 0.00 0.00 176.54 180.12 1i6j h ASN 249 N 0.20 0.85 1.12 0.19 2.35 -0.76 -1.78 115.58 117.76 1i6j h ASN 249 Ca 0.06 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1i6j h ASN 249 Cb -0.02 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1i6j h ASN 249 CO -0.01 0.71 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.30 1i6j h LEU 250 N 0.95 0.00 0.00 1.61 3.38 -0.46 -3.47 115.31 117.31 1i6j h LEU 250 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1i6j h LEU 250 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1i6j h LEU 250 CO -0.03 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1i6j n GLY 251 N 0.25 1.10 3.94 0.83 0.00 -0.63 -2.53 105.19 108.16 1i6j n GLY 251 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1i6j n GLY 251 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6j s TYR 252 N -2.00 3.24 -0.03 1.61 2.02 -0.16 -0.07 117.35 121.95 1i6j s TYR 252 Ca 0.00 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 1i6j s TYR 252 Cb 0.00 -2.41 0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1i6j s TYR 252 CO 0.00 -0.46 -0.01 1.03 -1.57 0.00 0.00 175.55 174.55 1i6j s ARG 253 N -4.66 0.41 0.09 -0.62 1.81 -1.26 -4.02 118.95 110.70 1i6j s ARG 253 Ca 0.49 0.05 0.01 0.00 -1.72 0.00 0.00 55.73 54.57 1i6j s ARG 253 Cb -0.10 -0.58 -0.04 0.00 -0.45 0.00 0.00 34.95 33.78 1i6j s ARG 253 CO 0.40 -0.14 0.21 0.00 -0.68 0.00 0.00 175.30 175.08 1i6j s ALA 254 N 1.08 3.90 -0.45 2.13 0.00 -0.05 0.43 121.76 128.80 1i6j s ALA 254 Ca -0.09 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1i6j s ALA 254 Cb -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1i6j s ALA 254 CO -0.02 0.72 1.15 0.45 0.00 0.00 0.00 175.76 178.07 1i6j s SER 255 N -2.73 6.65 0.19 0.00 0.15 0.39 -0.32 113.70 118.03 1i6j s SER 255 Ca 0.34 0.58 -0.08 0.00 0.70 0.00 0.00 55.95 57.48 1i6j s SER 255 Cb -0.12 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.74 1i6j s SER 255 CO 0.27 -1.22 1.66 0.00 1.20 0.00 0.00 173.24 175.15 1i6j h ALA 256 N 9.20 0.87 -0.91 5.45 0.00 -1.94 -0.84 119.26 131.08 1i6j h ALA 256 Ca -0.23 -0.30 0.10 0.00 0.00 0.00 0.00 54.91 54.48 1i6j h ALA 256 Cb 1.06 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1i6j h ALA 256 CO 1.11 0.67 0.55 -0.22 0.00 0.00 0.00 179.25 181.36 1i6j h LYS 257 N 0.98 0.87 0.00 0.00 1.63 -2.00 -2.94 116.57 115.12 1i6j h LYS 257 Ca 0.18 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1i6j h LYS 257 Cb 0.53 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1i6j h LYS 257 CO 0.03 0.58 -1.25 1.63 -3.45 0.00 0.00 179.45 176.98 1i6j n LYS 258 N -4.68 0.48 -1.55 1.90 5.02 -1.12 -4.99 118.16 113.22 1i6j n LYS 258 Ca 0.16 -0.01 -0.51 0.00 -2.02 0.00 0.00 58.31 55.93 1i6j n LYS 258 Cb 0.31 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1i6j n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i6j n ALA 259 N -2.04 -1.45 -3.94 7.82 0.00 -0.34 -4.94 120.51 115.63 1i6j n ALA 259 Ca -0.00 0.49 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 1i6j n ALA 259 Cb 0.50 -1.95 -0.14 0.00 0.00 0.00 0.00 19.45 17.87 1i6j n ALA 259 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1i6j s GLN 260 N -0.31 1.85 -0.20 0.00 -0.21 -0.55 -4.99 119.66 115.25 1i6j s GLN 260 Ca 0.76 -2.26 -0.15 0.00 0.02 0.00 0.00 55.36 53.73 1i6j s GLN 260 Cb -0.93 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 29.69 1i6j s GLN 260 CO 0.53 -1.05 0.37 0.42 -2.12 0.00 0.00 175.29 173.44 1i6j s ILE 261 N 0.31 5.23 -0.92 1.08 1.01 -1.26 -0.19 121.20 126.46 1i6j s ILE 261 Ca 0.14 0.65 -0.09 0.00 0.00 0.00 0.00 60.65 61.36 1i6j s ILE 261 Cb -0.22 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1i6j s ILE 261 CO -0.04 0.28 0.65 0.00 0.00 0.00 0.00 174.94 175.83 1i6j s GLN 263 N -5.24 1.92 0.00 0.00 -0.21 0.95 -4.85 119.66 112.23 1i6j s GLN 263 Ca 0.14 -1.30 0.26 0.00 0.02 0.00 0.00 55.36 54.49 1i6j s GLN 263 Cb -0.07 -2.10 0.71 0.00 1.00 0.00 0.00 33.01 32.56 1i6j s GLN 263 CO 0.89 0.44 1.54 0.36 -2.12 0.00 0.00 175.29 176.40 1i6j n LYS 264 N 0.21 1.52 -3.71 2.91 2.85 -1.26 -0.40 118.16 120.27 1i6j n LYS 264 Ca -0.12 -1.02 -0.14 0.00 -1.05 0.00 0.00 58.31 55.99 1i6j n LYS 264 Cb 0.55 -1.48 -0.14 0.00 -0.65 0.00 0.00 35.03 33.31 1i6j n LYS 264 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1i6j s GLN 265 N -2.18 0.12 0.13 -1.58 0.74 -1.26 -4.13 119.66 111.51 1i6j s GLN 265 Ca 0.31 0.52 -0.09 0.00 0.05 0.00 0.00 55.36 56.14 1i6j s GLN 265 Cb 0.20 -0.16 -0.00 0.00 1.10 0.00 0.00 33.01 34.15 1i6j s GLN 265 CO 0.40 -0.21 0.26 0.14 -0.55 0.00 0.00 175.29 175.33 1i6j s VAL 266 N 1.62 0.09 -0.24 1.34 -7.23 -0.58 -4.97 120.40 110.43 1i6j s VAL 266 Ca -0.05 -1.27 -0.10 0.00 -1.81 0.00 0.00 61.98 58.74 1i6j s VAL 266 Cb -0.11 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 1i6j s VAL 266 CO -0.07 -0.43 0.15 -0.54 -0.31 0.00 0.00 175.10 173.90 1i6j s LYS 267 N -3.92 4.03 -0.12 4.82 1.02 -1.26 -0.18 119.74 124.13 1i6j s LYS 267 Ca 0.12 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 1i6j s LYS 267 Cb 0.04 -3.53 0.06 0.00 -0.52 0.00 0.00 37.83 33.88 1i6j s LYS 267 CO -0.05 0.03 0.24 -0.47 -0.92 0.00 0.00 175.35 174.19 1i6j s TYR 268 N 1.13 -0.36 -1.53 3.18 5.04 0.06 -4.91 117.35 119.95 1i6j s TYR 268 Ca 0.07 0.87 -0.10 0.00 -2.44 0.00 0.00 57.07 55.47 1i6j s TYR 268 Cb -0.14 -0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.22 1i6j s TYR 268 CO 0.05 -0.30 0.74 1.28 -1.34 0.00 0.00 175.55 175.97 1i6j n LEU 269 N 4.98 -2.24 0.00 6.97 4.77 -1.26 -0.41 117.00 129.81 1i6j n LEU 269 Ca -0.12 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1i6j n LEU 269 Cb 0.51 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 1i6j n LEU 269 CO 0.07 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1i6j n GLY 270 N -1.66 2.02 3.87 -0.72 0.00 -1.26 -5.01 105.19 102.43 1i6j n GLY 270 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1i6j n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6j s TYR 271 N -3.42 3.36 -0.40 1.61 1.51 0.45 -5.07 117.35 115.39 1i6j s TYR 271 Ca 0.00 0.11 -0.08 0.00 -1.01 0.00 0.00 57.07 56.09 1i6j s TYR 271 Cb 0.00 -1.65 0.07 0.00 -0.11 0.00 0.00 41.96 40.27 1i6j s TYR 271 CO 0.00 0.54 0.22 -1.17 -1.11 0.00 0.00 175.55 174.03 1i6j s LEU 272 N -2.87 4.96 -0.17 -1.29 2.96 -1.26 -0.76 118.68 120.25 1i6j s LEU 272 Ca 0.33 -1.45 -0.26 0.00 -0.22 0.00 0.00 54.13 52.53 1i6j s LEU 272 Cb -0.12 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1i6j s LEU 272 CO 0.26 -0.49 0.87 -0.76 -1.32 0.00 0.00 176.35 174.91 1i6j s LEU 273 N 1.40 4.17 -0.23 -0.68 1.02 0.74 -4.70 118.68 120.40 1i6j s LEU 273 Ca 0.02 1.22 -0.14 0.00 0.02 0.00 0.00 54.13 55.25 1i6j s LEU 273 Cb -0.22 -3.29 0.07 0.00 0.02 0.00 0.00 46.19 42.76 1i6j s LEU 273 CO 0.02 -0.44 0.57 -0.75 0.02 0.00 0.00 176.35 175.77 1i6j s LYS 274 N 2.28 0.59 -1.47 1.70 2.20 -1.22 -1.53 119.74 122.29 1i6j s LYS 274 Ca 0.40 1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 57.00 1i6j s LYS 274 Cb -0.16 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1i6j s LYS 274 CO 0.12 -0.14 0.23 0.39 -0.36 0.00 0.00 175.35 175.58 1i6j n GLU 275 N 4.06 -2.12 -1.58 4.03 1.02 -1.26 0.84 120.64 125.62 1i6j n GLU 275 Ca -0.20 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 1i6j n GLU 275 Cb 0.57 -4.05 -0.06 0.00 -0.02 0.00 0.00 31.44 27.88 1i6j n GLU 275 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i6j n GLY 276 N -2.27 1.35 3.86 0.62 0.00 -1.26 -4.95 105.19 102.54 1i6j n GLY 276 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1i6j n GLY 276 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6j s GLN 277 N -3.58 3.46 0.00 1.61 -1.52 0.25 -5.01 119.66 114.86 1i6j s GLN 277 Ca 0.00 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.26 1i6j s GLN 277 Cb 0.00 -3.18 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 1i6j s GLN 277 CO 0.00 0.75 0.00 0.54 -0.25 0.00 0.00 175.29 176.33