#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8i n GLY 6 N 0.00 -0.42 3.53 3.38 0.00 -1.26 -4.72 105.19 105.70 1p8i n GLY 6 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1p8i n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p8i s ARG 7 N -1.99 3.42 0.52 1.61 0.52 -1.26 -4.94 118.95 116.82 1p8i s ARG 7 Ca 0.41 -0.47 0.16 0.00 -0.52 0.00 0.00 55.73 55.32 1p8i s ARG 7 Cb 0.21 -3.86 1.26 0.00 0.52 0.00 0.00 34.95 33.08 1p8i s ARG 7 CO 0.34 -0.68 2.14 -1.35 0.02 0.00 0.00 175.30 175.77 1p8i h PRO 8 N 8.56 0.02 0.00 3.54 0.11 -2.02 0.23 132.00 142.44 1p8i h PRO 8 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1p8i h PRO 8 Cb 1.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1p8i h PRO 8 CO 0.75 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1p8i n GLU 9 N -4.53 0.18 -0.32 1.05 0.00 -1.26 -3.77 120.64 111.99 1p8i n GLU 9 Ca -0.02 0.15 0.10 0.00 0.00 0.00 0.00 57.16 57.38 1p8i n GLU 9 Cb 0.11 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.32 1p8i n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1p8i h TRP 10 N 0.00 0.88 -0.88 -1.84 5.08 -0.91 -2.26 115.95 116.01 1p8i h TRP 10 Ca 0.00 0.03 0.06 0.00 1.08 0.00 0.00 58.89 60.07 1p8i h TRP 10 Cb 0.20 -0.25 -0.06 0.00 -3.00 0.00 0.00 29.16 26.05 1p8i h TRP 10 CO 0.00 0.20 0.57 0.97 -1.28 0.00 0.00 178.44 178.90 1p8i h ILE 11 N 0.67 1.07 -0.03 0.12 6.09 -1.80 0.11 117.51 123.75 1p8i h ILE 11 Ca 0.51 -0.34 -0.15 0.00 -1.37 0.00 0.00 64.86 63.50 1p8i h ILE 11 Cb 0.76 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.01 1p8i h ILE 11 CO -0.38 0.18 -0.68 -0.50 -3.07 0.00 0.00 178.15 173.70 1p8i h TRP 12 N 1.00 0.18 -0.15 2.19 -0.00 -1.70 -0.17 115.95 117.30 1p8i h TRP 12 Ca 0.38 -0.08 -0.12 0.00 -0.00 0.00 0.00 58.89 59.06 1p8i h TRP 12 Cb 0.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1p8i h TRP 12 CO -0.00 0.77 -0.45 -0.07 -0.00 0.00 0.00 178.44 178.69 1p8i h LEU 13 N 0.09 0.38 -0.09 -4.49 3.38 -0.83 -1.15 115.31 112.61 1p8i h LEU 13 Ca -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1p8i h LEU 13 Cb 1.22 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1p8i h LEU 13 CO 0.10 0.78 -0.00 0.00 0.09 0.00 0.00 178.44 179.41 1p8i h ALA 14 N 1.23 0.12 -0.79 1.53 0.00 -0.69 -1.29 119.26 119.37 1p8i h ALA 14 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p8i h ALA 14 Cb 0.91 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1p8i h ALA 14 CO 0.08 -0.19 0.49 1.25 0.00 0.00 0.00 179.25 180.88 1p8i h LEU 15 N -0.13 0.94 -0.63 0.00 6.46 -1.03 -1.37 115.31 119.54 1p8i h LEU 15 Ca 0.02 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.60 1p8i h LEU 15 Cb 0.36 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1p8i h LEU 15 CO 0.01 0.71 -0.50 1.23 -0.62 0.00 0.00 178.44 179.27 1p8i h GLY 16 N 1.11 0.52 1.00 3.75 0.00 -1.13 0.60 103.07 108.90 1p8i h GLY 16 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1p8i h GLY 16 CO -0.06 0.51 0.07 -0.84 0.00 0.00 0.00 176.54 176.23 1p8i h THR 17 N 0.37 1.03 -0.45 4.70 2.02 -0.85 0.04 112.91 119.78 1p8i h THR 17 Ca 0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1p8i h THR 17 Cb 1.01 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1p8i h THR 17 CO 0.09 0.03 0.22 0.00 0.37 0.00 0.00 175.52 176.23 1p8i h ALA 18 N 1.04 0.58 -0.11 6.16 0.00 -1.01 -1.31 119.26 124.60 1p8i h ALA 18 Ca 0.04 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1p8i h ALA 18 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1p8i h ALA 18 CO -0.01 0.14 -0.46 -0.07 0.00 0.00 0.00 179.25 178.85 1p8i h LEU 19 N 0.58 0.30 -0.36 0.00 3.38 -0.70 -0.34 115.31 118.18 1p8i h LEU 19 Ca 0.15 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1p8i h LEU 19 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p8i h LEU 19 CO -0.02 0.72 -0.71 0.24 0.09 0.00 0.00 178.44 178.76 1p8i h MET 20 N 0.23 0.53 0.29 1.13 2.86 -0.82 -1.26 114.93 117.88 1p8i h MET 20 Ca 0.01 -0.42 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1p8i h MET 20 Cb 0.91 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1p8i h MET 20 CO 0.07 1.04 -0.19 0.78 1.06 0.00 0.00 176.91 179.68 1p8i h GLY 21 N 1.06 -0.48 1.01 8.32 0.00 -1.08 -1.35 103.07 110.55 1p8i h GLY 21 Ca -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1p8i h GLY 21 CO 0.13 -0.19 0.47 1.41 0.00 0.00 0.00 176.54 178.36 1p8i h LEU 22 N -0.47 0.95 -0.93 3.11 4.07 -1.09 -1.18 115.31 119.78 1p8i h LEU 22 Ca -0.03 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1p8i h LEU 22 Cb 0.40 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1p8i h LEU 22 CO 0.02 0.74 -0.01 1.23 -1.08 0.00 0.00 178.44 179.34 1p8i h GLY 23 N 1.08 0.83 0.99 0.83 0.00 -1.13 -0.40 103.07 105.28 1p8i h GLY 23 Ca 0.28 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1p8i h GLY 23 CO -0.05 0.52 0.20 -0.84 0.00 0.00 0.00 176.54 176.36 1p8i h THR 24 N 0.72 1.09 -0.45 4.70 2.02 -0.67 0.21 112.91 120.52 1p8i h THR 24 Ca 0.14 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1p8i h THR 24 Cb 0.46 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1p8i h THR 24 CO 0.02 0.09 0.05 -0.07 0.37 0.00 0.00 175.52 175.97 1p8i h LEU 25 N 0.41 0.73 -0.25 2.58 3.38 -1.06 -1.02 115.31 120.09 1p8i h LEU 25 Ca 0.11 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1p8i h LEU 25 Cb -0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 1p8i h LEU 25 CO -0.02 0.83 -0.07 0.22 0.09 0.00 0.00 178.44 179.49 1p8i h TYR 26 N 0.61 -0.15 -0.07 1.13 3.20 -0.78 -0.82 116.97 120.10 1p8i h TYR 26 Ca 0.13 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1p8i h TYR 26 Cb 0.42 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1p8i h TYR 26 CO 0.03 -0.11 -0.37 0.74 -1.64 0.00 0.00 178.16 176.81 1p8i h PHE 27 N -0.01 0.15 0.52 -3.82 0.04 -0.80 -0.74 116.94 112.28 1p8i h PHE 27 Ca 0.12 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 1p8i h PHE 27 Cb 0.19 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1p8i h PHE 27 CO -0.26 0.49 -0.34 -0.07 -0.60 0.00 0.00 178.31 177.53 1p8i h LEU 28 N 0.12 -0.88 -0.55 1.54 3.38 -0.67 -0.64 115.31 117.61 1p8i h LEU 28 Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1p8i h LEU 28 Cb 0.71 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1p8i h LEU 28 CO 0.05 -0.53 0.30 0.58 0.09 0.00 0.00 178.44 178.93 1p8i h VAL 29 N -0.83 1.00 -0.73 1.22 2.07 -1.01 -2.52 116.25 115.45 1p8i h VAL 29 Ca -0.06 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1p8i h VAL 29 Cb 0.69 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1p8i h VAL 29 CO 0.04 0.11 0.39 0.50 0.02 0.00 0.00 177.57 178.63 1p8i h LYS 30 N 0.59 0.65 0.00 1.57 3.64 -0.93 -0.65 116.57 121.43 1p8i h LYS 30 Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1p8i h LYS 30 Cb 0.10 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1p8i h LYS 30 CO -0.14 0.43 0.00 0.41 -2.27 0.00 0.00 179.45 177.88 1p8i n GLY 31 N -1.30 -0.82 3.70 5.01 0.00 -0.27 -4.73 105.19 106.78 1p8i n GLY 31 Ca 0.11 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1p8i n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p8i s MET 32 N -2.00 4.32 0.00 1.61 -1.94 -0.25 -2.57 119.30 118.47 1p8i s MET 32 Ca 0.36 1.92 0.00 0.00 -1.71 0.00 0.00 55.69 56.25 1p8i s MET 32 Cb 0.16 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.51 1p8i s MET 32 CO 0.27 -0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 1p8i n GLY 33 N 3.52 2.33 3.68 -0.03 0.00 -1.26 -5.06 105.19 108.37 1p8i n GLY 33 Ca 0.12 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 1p8i n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1p8i n VAL 34 N -0.22 0.25 0.05 1.61 0.31 -1.06 -4.82 118.33 114.44 1p8i n VAL 34 Ca 0.00 -0.04 0.01 0.00 -0.01 0.00 0.00 64.34 64.30 1p8i n VAL 34 Cb 0.00 -1.80 -0.01 0.00 -0.91 0.00 0.00 33.84 31.11 1p8i n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1p8i n SER 35 N 4.87 2.24 -4.64 4.52 3.41 -1.26 -4.90 113.62 117.86 1p8i n SER 35 Ca 0.19 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 1p8i n SER 35 Cb 0.31 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.28 1p8i n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1p8i s ASP 36 N -1.70 6.24 0.32 4.04 2.15 -1.26 -4.85 116.67 121.61 1p8i s ASP 36 Ca 0.00 2.19 0.10 0.00 0.43 0.00 0.00 52.55 55.26 1p8i s ASP 36 Cb 0.01 -2.53 0.90 0.00 -0.30 0.00 0.00 42.92 41.01 1p8i s ASP 36 CO 0.09 -1.29 1.72 -0.65 -0.17 0.00 0.00 175.17 174.87 1p8i h PRO 37 N 11.48 0.53 -0.06 4.34 0.11 -1.97 0.36 132.00 146.79 1p8i h PRO 37 Ca -0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1p8i h PRO 37 Cb 1.21 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1p8i h PRO 37 CO 0.96 0.35 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.60 1p8i h ASP 38 N 0.54 0.15 -0.83 -2.05 5.19 -1.89 -2.70 116.42 114.84 1p8i h ASP 38 Ca 0.65 -0.49 0.08 0.00 -0.62 0.00 0.00 57.03 56.65 1p8i h ASP 38 Cb 1.26 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 40.66 1p8i h ASP 38 CO -0.49 0.61 0.49 0.00 -3.12 0.00 0.00 179.24 176.73 1p8i h ALA 39 N 0.55 1.16 -0.78 3.45 0.00 -0.62 -2.29 119.26 120.73 1p8i h ALA 39 Ca 0.01 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1p8i h ALA 39 Cb 0.56 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.06 1p8i h ALA 39 CO 0.01 0.17 0.24 0.87 0.00 0.00 0.00 179.25 180.54 1p8i h LYS 40 N 0.86 0.31 -0.27 0.00 1.57 -0.16 -0.86 116.57 118.02 1p8i h LYS 40 Ca 0.38 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1p8i h LYS 40 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1p8i h LYS 40 CO -0.21 0.20 0.16 0.87 -0.57 0.00 0.00 179.45 179.91 1p8i h LYS 41 N 0.32 0.37 -0.48 3.15 1.57 -1.09 -0.87 116.57 119.54 1p8i h LYS 41 Ca 0.45 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1p8i h LYS 41 Cb 0.78 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1p8i h LYS 41 CO -0.51 0.29 0.03 0.74 -0.57 0.00 0.00 179.45 179.43 1p8i h PHE 42 N 0.34 0.83 -0.40 -1.35 0.04 -1.16 -0.93 116.94 114.30 1p8i h PHE 42 Ca 0.10 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1p8i h PHE 42 Cb 0.02 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 37.93 1p8i h PHE 42 CO -0.04 0.75 -0.06 1.88 -0.60 0.00 0.00 178.31 180.24 1p8i h TYR 43 N 0.74 0.83 0.18 -0.55 0.05 -1.02 -1.09 116.97 116.10 1p8i h TYR 43 Ca 0.15 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 1p8i h TYR 43 Cb 0.41 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1p8i h TYR 43 CO 0.02 0.85 -0.14 0.00 -1.05 0.00 0.00 178.16 177.85 1p8i h ALA 44 N 0.86 -0.30 -0.59 3.88 0.00 -0.89 -0.54 119.26 121.69 1p8i h ALA 44 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1p8i h ALA 44 Cb 0.56 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1p8i h ALA 44 CO 0.03 -0.68 0.37 0.82 0.00 0.00 0.00 179.25 179.79 1p8i h ILE 45 N -0.32 1.16 0.00 0.00 2.04 -1.17 -1.82 117.51 117.41 1p8i h ILE 45 Ca -0.01 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1p8i h ILE 45 Cb 0.29 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1p8i h ILE 45 CO -0.01 0.16 -0.33 0.74 0.00 0.00 0.00 178.15 178.71 1p8i h THR 46 N 0.80 0.67 0.24 -0.27 2.02 -1.04 -2.75 112.91 112.58 1p8i h THR 46 Ca 0.21 -1.58 -0.33 0.00 0.77 0.00 0.00 66.41 65.48 1p8i h THR 46 Cb -0.06 2.06 0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1p8i h THR 46 CO -0.04 0.33 -1.46 0.74 0.37 0.00 0.00 175.52 175.45 1p8i h THR 47 N 0.00 1.29 -0.68 3.16 2.02 -0.93 -3.34 112.91 114.43 1p8i h THR 47 Ca -0.00 -2.70 -0.02 0.00 0.77 0.00 0.00 66.41 64.46 1p8i h THR 47 Cb 1.03 3.02 -0.03 0.00 -1.74 0.00 0.00 68.15 70.42 1p8i h THR 47 CO 0.04 0.81 0.35 -0.07 0.37 0.00 0.00 175.52 177.03 1p8i h LEU 48 N 0.16 0.84 0.38 2.58 3.38 -1.23 -2.81 115.31 118.61 1p8i h LEU 48 Ca -0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1p8i h LEU 48 Cb 2.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 1p8i h LEU 48 CO 0.27 0.69 -0.30 0.58 0.09 0.00 0.00 178.44 179.77 1p8i h VAL 49 N 0.95 0.37 0.00 1.22 2.07 -1.61 -0.15 116.25 119.10 1p8i h VAL 49 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1p8i h VAL 49 Cb 0.05 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1p8i h VAL 49 CO -0.04 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.10 1p8i h PRO 50 N -0.68 0.00 -0.25 1.57 0.13 -1.75 -2.05 132.00 128.97 1p8i h PRO 50 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1p8i h PRO 50 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1p8i h PRO 50 CO -0.02 0.00 0.07 0.00 -0.23 0.00 0.00 178.00 177.82 1p8i h ALA 51 N 2.19 0.33 -0.46 -0.56 0.00 -1.03 0.19 119.26 119.92 1p8i h ALA 51 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1p8i h ALA 51 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1p8i h ALA 51 CO 0.00 -0.03 0.12 0.82 0.00 0.00 0.00 179.25 180.16 1p8i h ILE 52 N 0.23 1.23 -0.84 0.00 2.04 -0.87 -2.66 117.51 116.65 1p8i h ILE 52 Ca 0.08 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 1p8i h ILE 52 Cb 0.26 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1p8i h ILE 52 CO -0.00 0.29 0.46 0.00 0.00 0.00 0.00 178.15 178.90 1p8i h ALA 53 N 0.98 1.23 -0.45 1.87 0.00 -1.21 -1.92 119.26 119.76 1p8i h ALA 53 Ca 0.15 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1p8i h ALA 53 Cb 0.31 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1p8i h ALA 53 CO -0.00 0.62 -0.08 0.35 0.00 0.00 0.00 179.25 180.15 1p8i h PHE 54 N 1.18 -0.17 -0.59 0.00 3.57 -0.41 0.22 116.94 120.73 1p8i h PHE 54 Ca 0.30 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1p8i h PHE 54 Cb 0.02 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1p8i h PHE 54 CO 0.01 -0.16 0.21 1.79 -2.23 0.00 0.00 178.31 177.92 1p8i h THR 55 N 0.03 1.22 0.05 4.41 1.35 -1.02 -0.67 112.91 118.29 1p8i h THR 55 Ca 0.22 -0.72 -0.25 0.00 -0.55 0.00 0.00 66.41 65.11 1p8i h THR 55 Cb 0.33 0.54 0.01 0.00 -1.73 0.00 0.00 68.15 67.30 1p8i h THR 55 CO -0.43 0.28 -1.06 0.24 -0.25 0.00 0.00 175.52 174.29 1p8i h MET 56 N 0.86 0.40 -0.71 4.72 2.86 -0.84 -0.62 114.93 121.59 1p8i h MET 56 Ca 0.20 -0.50 0.05 0.00 -2.06 0.00 0.00 59.70 57.39 1p8i h MET 56 Cb 0.21 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1p8i h MET 56 CO -0.01 1.17 0.42 1.88 1.06 0.00 0.00 176.91 181.43 1p8i h TYR 57 N 0.19 0.79 -0.48 -0.22 -1.99 -0.48 -1.18 116.97 113.60 1p8i h TYR 57 Ca -0.11 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.56 1p8i h TYR 57 Cb 1.73 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 40.19 1p8i h TYR 57 CO 0.07 0.41 -0.05 1.25 -0.00 0.00 0.00 178.16 179.83 1p8i h LEU 58 N 0.80 0.81 -1.59 3.88 5.85 -0.92 0.05 115.31 124.18 1p8i h LEU 58 Ca 0.31 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1p8i h LEU 58 Cb 0.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1p8i h LEU 58 CO -0.16 0.91 -0.11 0.77 -0.34 0.00 0.00 178.44 179.51 1p8i h SER 59 N 0.76 0.11 -0.16 1.25 4.64 -0.60 -0.26 113.55 119.30 1p8i h SER 59 Ca 0.14 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 1p8i h SER 59 Cb 0.54 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1p8i h SER 59 CO 0.03 0.24 -0.44 0.24 -0.87 0.00 0.00 176.83 176.03 1p8i h MET 60 N 0.12 0.59 -0.54 4.77 2.86 -0.36 -0.44 114.93 121.93 1p8i h MET 60 Ca 0.03 -0.41 0.10 0.00 -2.06 0.00 0.00 59.70 57.35 1p8i h MET 60 Cb 0.28 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 1p8i h MET 60 CO 0.02 1.03 0.09 1.25 1.06 0.00 0.00 176.91 180.36 1p8i h LEU 61 N 0.24 -0.04 0.00 1.22 5.85 -0.45 -1.31 115.31 120.82 1p8i h LEU 61 Ca -0.01 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1p8i h LEU 61 Cb 1.06 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1p8i h LEU 61 CO 0.10 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.38 1p8i n LEU 62 N -5.14 0.00 0.00 2.25 4.77 -0.16 -4.91 117.00 113.81 1p8i n LEU 62 Ca 0.07 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1p8i n LEU 62 Cb 0.28 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1p8i n LEU 62 CO 0.18 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1p8i n GLY 63 N 1.21 0.67 0.27 -0.72 0.00 -0.49 -4.95 105.19 101.18 1p8i n GLY 63 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1p8i n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1p8i h TYR 64 N 0.00 1.13 -0.44 1.61 3.20 -1.35 -3.21 116.97 117.91 1p8i h TYR 64 Ca 0.00 -0.30 -0.21 0.00 3.14 0.00 0.00 58.73 61.36 1p8i h TYR 64 Cb 0.00 -0.25 -0.13 0.00 1.54 0.00 0.00 36.73 37.89 1p8i h TYR 64 CO 0.00 1.12 0.27 0.41 -1.64 0.00 0.00 178.16 178.32 1p8i n GLY 65 N -0.02 3.05 3.26 1.82 0.00 -0.52 -4.84 105.19 107.94 1p8i n GLY 65 Ca -0.01 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1p8i n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p8i s LEU 66 N -1.52 2.06 0.10 0.99 2.96 -1.21 -1.97 118.68 120.08 1p8i s LEU 66 Ca 0.27 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1p8i s LEU 66 Cb 0.22 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1p8i s LEU 66 CO 0.06 0.23 -0.06 0.28 -1.32 0.00 0.00 176.35 175.54 1p8i s THR 67 N -0.11 0.64 -0.19 3.68 -1.32 -0.10 -4.95 115.64 113.29 1p8i s THR 67 Ca -0.05 -1.92 -0.14 0.00 -1.21 0.00 0.00 61.69 58.36 1p8i s THR 67 Cb -0.14 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1p8i s THR 67 CO 0.04 -0.86 0.32 -0.04 -2.21 0.00 0.00 174.62 171.87 1p8i s MET 68 N -3.85 4.19 -0.18 7.08 1.00 -1.26 0.27 119.30 126.55 1p8i s MET 68 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 55.69 55.90 1p8i s MET 68 Cb 0.06 -3.50 0.01 0.00 0.00 0.00 0.00 34.83 31.39 1p8i s MET 68 CO -0.05 0.07 -0.15 0.08 0.00 0.00 0.00 175.02 174.97 1p8i s VAL 69 N 0.99 2.57 -0.15 -6.03 1.01 0.76 -4.86 120.40 114.69 1p8i s VAL 69 Ca 0.16 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1p8i s VAL 69 Cb -0.14 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1p8i s VAL 69 CO 0.06 0.51 1.17 -2.16 0.00 0.00 0.00 175.10 174.67 1p8i s PRO 70 N 1.13 4.29 0.12 2.72 0.04 -1.26 -0.67 135.00 141.36 1p8i s PRO 70 Ca 0.01 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 1p8i s PRO 70 Cb -0.14 -3.66 0.08 0.00 0.04 0.00 0.00 34.50 30.81 1p8i s PRO 70 CO -0.05 -0.59 0.66 -0.59 0.04 0.00 0.00 177.00 176.47 1p8i s PHE 71 N 2.97 -0.51 -0.98 0.56 -0.12 -0.88 -4.47 117.98 114.56 1p8i s PHE 71 Ca 0.52 0.35 -0.04 0.00 -0.05 0.00 0.00 56.93 57.71 1p8i s PHE 71 Cb -0.20 0.55 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1p8i s PHE 71 CO 0.14 -0.78 0.18 0.41 -0.05 0.00 0.00 175.22 175.12 1p8i n GLY 72 N -0.28 -0.49 2.74 1.99 0.00 -1.26 -1.45 105.19 106.44 1p8i n GLY 72 Ca -0.16 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1p8i n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8i n GLY 73 N -0.89 -0.50 3.44 -0.02 0.00 -1.26 -4.99 105.19 100.97 1p8i n GLY 73 Ca -0.07 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1p8i n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p8i s GLU 74 N -5.34 1.66 -0.57 1.61 2.02 -0.53 -5.11 118.70 112.45 1p8i s GLU 74 Ca 0.13 -1.94 -0.16 0.00 0.02 0.00 0.00 54.97 53.01 1p8i s GLU 74 Cb -0.07 -0.69 0.13 0.00 0.10 0.00 0.00 34.13 33.60 1p8i s GLU 74 CO 0.16 -0.27 0.55 -0.65 0.02 0.00 0.00 175.26 175.07 1p8i s GLN 75 N -3.88 3.04 -0.29 1.61 -1.52 -1.26 -2.07 119.66 115.29 1p8i s GLN 75 Ca 0.34 -1.69 -0.18 0.00 -1.95 0.00 0.00 55.36 51.88 1p8i s GLN 75 Cb 0.07 -4.31 -0.02 0.00 -0.22 0.00 0.00 33.01 28.53 1p8i s GLN 75 CO 0.15 -1.36 0.50 -0.80 -0.25 0.00 0.00 175.29 173.52 1p8i s ASN 76 N 3.52 6.38 -0.01 5.90 0.01 0.15 -4.82 114.94 126.08 1p8i s ASN 76 Ca 0.05 0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 52.26 1p8i s ASN 76 Cb -0.28 -2.27 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 1p8i s ASN 76 CO 0.03 -0.32 1.75 -2.16 -1.51 0.00 0.00 177.10 174.88 1p8i s PRO 77 N 2.31 4.17 -0.15 -0.60 0.04 -1.26 -0.17 135.00 139.34 1p8i s PRO 77 Ca 0.20 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1p8i s PRO 77 Cb -0.16 -3.98 0.02 0.00 0.04 0.00 0.00 34.50 30.43 1p8i s PRO 77 CO 0.10 -0.86 -0.14 0.42 0.04 0.00 0.00 177.00 176.56 1p8i s ILE 78 N 3.95 1.56 -0.92 0.56 -1.09 0.14 -4.89 121.20 120.52 1p8i s ILE 78 Ca 0.78 -0.63 -0.24 0.00 -2.23 0.00 0.00 60.65 58.32 1p8i s ILE 78 Cb -0.37 -1.47 0.02 0.00 -1.58 0.00 0.00 42.46 39.06 1p8i s ILE 78 CO 0.34 0.45 1.53 -0.31 -1.23 0.00 0.00 174.94 175.72 1p8i s TYR 79 N 1.49 2.29 -0.01 3.97 2.02 -1.26 -0.92 117.35 124.93 1p8i s TYR 79 Ca 0.05 -0.31 0.23 0.00 -0.37 0.00 0.00 57.07 56.66 1p8i s TYR 79 Cb -0.13 -4.53 0.70 0.00 -0.40 0.00 0.00 41.96 37.60 1p8i s TYR 79 CO -0.11 -1.96 1.73 0.11 -1.57 0.00 0.00 175.55 173.75 1p8i h TRP 80 N 10.45 0.00 0.00 2.71 5.08 -1.75 -3.17 115.95 129.26 1p8i h TRP 80 Ca 0.05 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.02 1p8i h TRP 80 Cb 1.03 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.19 1p8i h TRP 80 CO 1.22 0.24 -0.00 0.00 -1.28 0.00 0.00 178.44 178.62 1p8i h ALA 81 N 1.76 1.05 -0.49 0.11 0.00 -1.79 -0.81 119.26 119.10 1p8i h ALA 81 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p8i h ALA 81 Cb 0.90 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1p8i h ALA 81 CO 0.03 0.00 0.33 0.00 0.00 0.00 0.00 179.25 179.61 1p8i h ARG 82 N 0.00 0.50 -0.02 0.00 3.08 -1.84 -2.29 114.38 113.81 1p8i h ARG 82 Ca -0.00 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1p8i h ARG 82 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1p8i h ARG 82 CO 0.00 0.33 -0.81 1.88 -1.07 0.00 0.00 179.97 180.30 1p8i h TYR 83 N 0.52 0.34 -0.62 3.04 0.05 -1.39 -0.73 116.97 118.18 1p8i h TYR 83 Ca 0.20 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1p8i h TYR 83 Cb 0.15 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1p8i h TYR 83 CO -0.00 0.95 0.26 0.00 -1.05 0.00 0.00 178.16 178.31 1p8i h ALA 84 N 1.00 1.28 0.75 3.88 0.00 -1.44 0.01 119.26 124.73 1p8i h ALA 84 Ca -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1p8i h ALA 84 Cb 1.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1p8i h ALA 84 CO 0.13 0.54 -0.41 0.22 0.00 0.00 0.00 179.25 179.72 1p8i h ASP 85 N 0.89 -1.02 0.17 0.00 1.82 -1.30 -3.28 116.42 113.71 1p8i h ASP 85 Ca 0.21 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1p8i h ASP 85 Cb 0.16 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1p8i h ASP 85 CO -0.02 -0.66 -0.19 -0.50 -1.61 0.00 0.00 179.24 176.26 1p8i h TRP 86 N -1.07 0.03 -0.77 0.28 6.55 -1.01 0.41 115.95 120.36 1p8i h TRP 86 Ca -0.10 -0.00 0.14 0.00 0.95 0.00 0.00 58.89 59.87 1p8i h TRP 86 Cb 0.84 -0.01 -0.05 0.00 -0.86 0.00 0.00 29.16 29.08 1p8i h TRP 86 CO -0.02 0.21 0.51 1.25 -1.05 0.00 0.00 178.44 179.34 1p8i h LEU 87 N 0.02 0.46 0.00 -4.49 5.85 -1.05 -1.42 115.31 114.68 1p8i h LEU 87 Ca 0.00 0.02 -0.38 0.00 0.84 0.00 0.00 57.88 58.37 1p8i h LEU 87 Cb 0.34 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1p8i h LEU 87 CO 0.02 0.25 -2.42 0.49 -0.34 0.00 0.00 178.44 176.44 1p8i n PHE 88 N -4.49 0.03 0.08 1.25 3.72 -0.65 -4.47 117.46 112.93 1p8i n PHE 88 Ca 0.14 0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1p8i n PHE 88 Cb 0.48 -1.00 -0.05 0.00 -0.94 0.00 0.00 39.48 37.97 1p8i n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1p8i h THR 89 N 0.00 1.55 -0.10 4.37 1.35 -0.86 -2.93 112.91 116.30 1p8i h THR 89 Ca -0.56 -2.88 -0.22 0.00 -0.55 0.00 0.00 66.41 62.21 1p8i h THR 89 Cb 2.07 2.63 0.01 0.00 -1.73 0.00 0.00 68.15 71.13 1p8i h THR 89 CO -0.03 0.83 -0.80 0.71 -0.25 0.00 0.00 175.52 175.98 1p8i h THR 90 N 0.07 1.32 -0.26 6.82 1.35 -1.49 -1.07 112.91 119.65 1p8i h THR 90 Ca -0.05 -2.09 -0.05 0.00 -0.55 0.00 0.00 66.41 63.67 1p8i h THR 90 Cb 1.63 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 70.13 1p8i h THR 90 CO 0.14 0.65 -0.07 1.55 -0.25 0.00 0.00 175.52 177.54 1p8i h PRO 91 N 0.42 0.40 -0.71 4.72 0.13 -1.76 -1.69 132.00 133.51 1p8i h PRO 91 Ca -0.06 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.96 1p8i h PRO 91 Cb 1.42 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 1p8i h PRO 91 CO 0.15 0.49 0.34 -0.07 -0.23 0.00 0.00 178.00 178.68 1p8i h LEU 92 N 0.38 0.92 -0.66 1.56 3.38 -1.30 0.14 115.31 119.73 1p8i h LEU 92 Ca 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1p8i h LEU 92 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1p8i h LEU 92 CO 0.02 0.78 0.17 -0.07 0.09 0.00 0.00 178.44 179.43 1p8i h LEU 93 N 1.01 0.99 -1.32 1.67 3.38 -0.62 -1.90 115.31 118.52 1p8i h LEU 93 Ca 0.25 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1p8i h LEU 93 Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1p8i h LEU 93 CO -0.03 0.96 -0.32 -0.07 0.09 0.00 0.00 178.44 179.07 1p8i h LEU 94 N 0.97 0.03 -0.67 1.67 3.38 -0.89 -2.58 115.31 117.23 1p8i h LEU 94 Ca 0.21 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1p8i h LEU 94 Cb 0.35 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1p8i h LEU 94 CO 0.00 0.35 -0.15 0.25 0.09 0.00 0.00 178.44 178.98 1p8i h LEU 95 N 0.03 0.88 -0.50 1.67 6.46 -0.02 -0.52 115.31 123.31 1p8i h LEU 95 Ca 0.00 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.51 1p8i h LEU 95 Cb 0.58 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 1p8i h LEU 95 CO 0.04 1.03 0.25 0.44 -0.62 0.00 0.00 178.44 179.58 1p8i h ASP 96 N 0.78 0.36 -0.34 1.25 3.32 -0.98 0.47 116.42 121.28 1p8i h ASP 96 Ca 0.12 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1p8i h ASP 96 Cb 0.68 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1p8i h ASP 96 CO 0.05 0.25 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.67 1p8i h LEU 97 N 0.49 0.66 -1.29 1.55 3.38 -1.29 -2.73 115.31 116.07 1p8i h LEU 97 Ca 0.22 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1p8i h LEU 97 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1p8i h LEU 97 CO -0.15 0.87 0.15 0.00 0.09 0.00 0.00 178.44 179.39 1p8i h ALA 98 N 0.81 1.44 -0.09 1.53 0.00 -0.68 -2.69 119.26 119.58 1p8i h ALA 98 Ca 0.09 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1p8i h ALA 98 Cb 0.58 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1p8i h ALA 98 CO 0.03 0.42 -0.86 -0.07 0.00 0.00 0.00 179.25 178.77 1p8i h LEU 99 N 0.62 0.82 -0.54 0.00 3.38 -0.92 -0.05 115.31 118.63 1p8i h LEU 99 Ca 0.15 -0.58 0.11 0.00 0.09 0.00 0.00 57.88 57.64 1p8i h LEU 99 Cb 0.17 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 1p8i h LEU 99 CO -0.01 1.38 0.03 0.25 0.09 0.00 0.00 178.44 180.18 1p8i h LEU 100 N 0.43 -0.17 -1.55 1.67 5.85 -1.25 -2.13 115.31 118.16 1p8i h LEU 100 Ca -0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1p8i h LEU 100 Cb 1.49 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1p8i h LEU 100 CO 0.17 -0.06 0.00 1.33 -0.34 0.00 0.00 178.44 179.54 1p8i n VAL 101 N -5.21 0.19 -3.45 1.05 0.24 -1.04 -4.96 118.33 105.16 1p8i n VAL 101 Ca 0.07 -0.46 -0.21 0.00 -2.04 0.00 0.00 64.34 61.71 1p8i n VAL 101 Cb 0.30 0.78 0.07 0.00 -1.47 0.00 0.00 33.84 33.52 1p8i n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1p8i n ASP 102 N 0.80 -5.75 -4.65 -1.34 2.03 -0.51 -4.91 116.55 102.22 1p8i n ASP 102 Ca 0.17 -0.47 -0.36 0.00 0.52 0.00 0.00 54.79 54.65 1p8i n ASP 102 Cb 0.46 -4.42 0.08 0.00 -0.72 0.00 0.00 41.12 36.53 1p8i n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p8i n ALA 103 N -4.66 0.17 -1.75 -1.67 0.00 -0.15 -4.96 120.51 107.50 1p8i n ALA 103 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 52.95 1p8i n ALA 103 Cb 0.55 -2.18 0.03 0.00 0.00 0.00 0.00 19.45 17.86 1p8i n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1p8i s ASP 104 N -1.56 5.39 0.41 0.00 1.01 -1.26 -4.86 116.67 115.79 1p8i s ASP 104 Ca 0.76 2.55 0.09 0.00 0.71 0.00 0.00 52.55 56.66 1p8i s ASP 104 Cb -0.36 -2.62 0.85 0.00 1.01 0.00 0.00 42.92 41.80 1p8i s ASP 104 CO 0.47 -1.47 1.99 1.56 0.21 0.00 0.00 175.17 177.93 1p8i h GLN 105 N 1.35 0.36 -0.70 8.23 4.20 -1.99 -1.76 115.11 124.80 1p8i h GLN 105 Ca -0.50 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.13 1p8i h GLN 105 Cb 1.29 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 1p8i h GLN 105 CO 0.57 0.35 0.34 0.78 -0.67 0.00 0.00 178.83 180.20 1p8i h GLY 106 N 0.58 1.07 1.26 3.46 0.00 -2.00 0.35 103.07 107.80 1p8i h GLY 106 Ca 0.09 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.75 1p8i h GLY 106 CO -0.00 0.49 -0.45 -0.84 0.00 0.00 0.00 176.54 175.74 1p8i h THR 107 N 0.99 1.28 -0.57 4.70 2.02 -1.77 -1.66 112.91 117.91 1p8i h THR 107 Ca 0.24 -1.63 -0.06 0.00 0.77 0.00 0.00 66.41 65.73 1p8i h THR 107 Cb 0.10 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1p8i h THR 107 CO -0.03 0.53 0.11 0.40 0.37 0.00 0.00 175.52 176.90 1p8i h ILE 108 N 0.64 1.24 -0.22 3.11 2.04 -0.50 -1.39 117.51 122.43 1p8i h ILE 108 Ca 0.04 -0.90 -0.14 0.00 1.00 0.00 0.00 64.86 64.86 1p8i h ILE 108 Cb 1.02 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1p8i h ILE 108 CO 0.10 0.33 -0.45 0.25 0.00 0.00 0.00 178.15 178.39 1p8i h LEU 109 N 0.85 0.59 -0.78 1.44 5.85 -0.82 -0.88 115.31 121.57 1p8i h LEU 109 Ca 0.18 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1p8i h LEU 109 Cb 0.35 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1p8i h LEU 109 CO 0.00 0.96 0.50 0.00 -0.34 0.00 0.00 178.44 179.56 1p8i h ALA 110 N 1.07 1.02 0.26 1.25 0.00 -0.93 -1.33 119.26 120.59 1p8i h ALA 110 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1p8i h ALA 110 Cb 0.96 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1p8i h ALA 110 CO 0.09 0.32 -0.12 -0.07 0.00 0.00 0.00 179.25 179.46 1p8i h LEU 111 N 0.98 -0.30 -0.99 0.00 3.38 -0.90 -0.11 115.31 117.37 1p8i h LEU 111 Ca 0.31 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1p8i h LEU 111 Cb -0.00 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1p8i h LEU 111 CO -0.11 0.11 0.64 0.58 0.09 0.00 0.00 178.44 179.76 1p8i h VAL 112 N -0.76 1.06 -0.33 1.22 2.07 -1.18 -0.82 116.25 117.51 1p8i h VAL 112 Ca -0.04 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1p8i h VAL 112 Cb 0.50 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1p8i h VAL 112 CO 0.06 0.21 -0.22 1.23 0.02 0.00 0.00 177.57 178.86 1p8i h GLY 113 N 1.14 0.79 1.13 2.17 0.00 -1.20 0.27 103.07 107.36 1p8i h GLY 113 Ca 0.44 -0.75 0.05 0.00 0.00 0.00 0.00 47.33 47.07 1p8i h GLY 113 CO -0.19 0.68 0.45 0.00 0.00 0.00 0.00 176.54 177.48 1p8i h ALA 114 N 0.75 1.70 -0.48 3.60 0.00 -0.73 -1.45 119.26 122.65 1p8i h ALA 114 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1p8i h ALA 114 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1p8i h ALA 114 CO 0.06 0.20 -0.03 0.22 0.00 0.00 0.00 179.25 179.70 1p8i h ASP 115 N 0.73 0.86 -0.46 0.00 1.82 -0.75 -0.03 116.42 118.60 1p8i h ASP 115 Ca 0.29 -0.32 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 1p8i h ASP 115 Cb 0.20 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1p8i h ASP 115 CO -0.09 0.98 0.16 1.23 -1.61 0.00 0.00 179.24 179.91 1p8i h GLY 116 N 0.73 0.81 0.98 -0.78 0.00 -0.14 -0.89 103.07 103.77 1p8i h GLY 116 Ca 0.13 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1p8i h GLY 116 CO 0.03 0.41 0.07 -2.22 0.00 0.00 0.00 176.54 174.84 1p8i h ILE 117 N 0.74 1.25 -0.21 2.60 2.04 -0.90 0.57 117.51 123.60 1p8i h ILE 117 Ca 0.17 -0.92 0.05 0.00 1.00 0.00 0.00 64.86 65.16 1p8i h ILE 117 Cb 0.22 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1p8i h ILE 117 CO -0.01 0.33 -0.15 -0.03 0.00 0.00 0.00 178.15 178.28 1p8i h MET 118 N 0.66 -0.15 -0.11 2.37 4.05 -0.35 -0.80 114.93 120.60 1p8i h MET 118 Ca 0.14 0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.42 1p8i h MET 118 Cb 0.39 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1p8i h MET 118 CO 0.01 -0.10 -0.55 0.82 0.23 0.00 0.00 176.91 177.32 1p8i h ILE 119 N -0.15 1.35 -0.66 1.77 1.08 -1.12 -2.12 117.51 117.65 1p8i h ILE 119 Ca 0.12 -1.85 -0.02 0.00 -0.39 0.00 0.00 64.86 62.72 1p8i h ILE 119 Cb 0.34 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 1p8i h ILE 119 CO -0.30 0.56 0.33 1.23 -0.69 0.00 0.00 178.15 179.28 1p8i h GLY 120 N 0.19 1.00 1.87 5.37 0.00 -0.81 -0.15 103.07 110.54 1p8i h GLY 120 Ca -0.04 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 1p8i h GLY 120 CO 0.11 0.44 -0.66 -0.91 0.00 0.00 0.00 176.54 175.52 1p8i h THR 121 N 0.93 1.44 -0.90 4.70 1.35 -1.20 -1.28 112.91 117.96 1p8i h THR 121 Ca 0.23 -2.18 -0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1p8i h THR 121 Cb 0.08 2.16 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 1p8i h THR 121 CO -0.03 0.63 0.55 1.23 -0.25 0.00 0.00 175.52 177.66 1p8i h GLY 122 N 1.73 1.29 0.89 5.82 0.00 -0.85 0.95 103.07 112.91 1p8i h GLY 122 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1p8i h GLY 122 CO 0.10 0.50 0.06 -2.00 0.00 0.00 0.00 176.54 175.20 1p8i h LEU 123 N 1.23 0.47 -0.58 3.11 5.85 -0.83 0.36 115.31 124.92 1p8i h LEU 123 Ca 0.32 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1p8i h LEU 123 Cb -0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1p8i h LEU 123 CO -0.06 0.60 0.37 0.58 -0.34 0.00 0.00 178.44 179.58 1p8i h VAL 124 N 0.33 1.11 -0.85 1.05 2.07 -1.00 -1.55 116.25 117.40 1p8i h VAL 124 Ca 0.09 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1p8i h VAL 124 Cb 0.31 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1p8i h VAL 124 CO 0.00 0.14 0.56 1.23 0.02 0.00 0.00 177.57 179.52 1p8i h GLY 125 N 0.74 1.21 1.90 2.17 0.00 -0.49 -0.82 103.07 107.78 1p8i h GLY 125 Ca 0.22 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1p8i h GLY 125 CO -0.07 0.37 -0.19 0.00 0.00 0.00 0.00 176.54 176.66 1p8i h ALA 126 N 1.50 1.55 -0.02 3.60 0.00 0.04 -2.98 119.26 122.94 1p8i h ALA 126 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1p8i h ALA 126 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1p8i h ALA 126 CO -0.09 0.33 -0.24 1.28 0.00 0.00 0.00 179.25 180.52 1p8i n LEU 127 N -4.26 2.51 -4.72 0.00 4.77 -0.82 -4.98 117.00 109.50 1p8i n LEU 127 Ca -0.01 -0.88 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 1p8i n LEU 127 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1p8i n LEU 127 CO 0.38 0.44 1.05 -0.89 -1.33 0.00 0.00 177.39 177.03 1p8i s THR 128 N -2.23 3.20 -0.65 -5.08 2.01 -0.36 -4.95 115.64 107.58 1p8i s THR 128 Ca 0.23 0.91 0.24 0.00 0.31 0.00 0.00 61.69 63.38 1p8i s THR 128 Cb 0.19 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1p8i s THR 128 CO 0.44 0.09 1.24 0.29 -0.69 0.00 0.00 174.62 175.99 1p8i n LYS 129 N 3.46 0.28 -2.94 4.92 5.02 -1.26 -4.70 118.16 122.94 1p8i n LYS 129 Ca 0.10 0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1p8i n LYS 129 Cb 0.42 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1p8i n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p8i s VAL 130 N -3.17 4.56 0.16 -0.18 1.01 -1.26 -4.36 120.40 117.16 1p8i s VAL 130 Ca 0.06 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 1p8i s VAL 130 Cb 0.14 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 32.14 1p8i s VAL 130 CO 0.74 -0.96 1.61 0.22 0.00 0.00 0.00 175.10 176.71 1p8i h TYR 131 N 9.17 -0.81 -0.51 5.22 3.20 -1.94 -1.39 116.97 129.92 1p8i h TYR 131 Ca -0.26 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.72 1p8i h TYR 131 Cb 1.08 0.41 -0.03 0.00 1.54 0.00 0.00 36.73 39.73 1p8i h TYR 131 CO 0.85 -0.36 0.34 0.77 -1.64 0.00 0.00 178.16 178.12 1p8i h SER 132 N -0.24 0.38 0.68 -2.11 0.02 -1.98 -1.44 113.55 108.86 1p8i h SER 132 Ca 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1p8i h SER 132 Cb 0.52 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1p8i h SER 132 CO -0.51 0.25 -0.21 1.88 -1.14 0.00 0.00 176.83 177.10 1p8i h TYR 133 N 0.43 0.00 -0.99 3.45 0.05 -1.67 -2.74 116.97 115.51 1p8i h TYR 133 Ca 0.22 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.22 1p8i h TYR 133 Cb 0.32 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.97 1p8i h TYR 133 CO -0.00 0.21 0.63 0.00 -1.05 0.00 0.00 178.16 177.94 1p8i h ARG 134 N 0.00 0.51 0.00 4.88 3.08 -1.03 -1.02 114.38 120.79 1p8i h ARG 134 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1p8i h ARG 134 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1p8i h ARG 134 CO 0.03 0.34 -0.53 0.74 -1.07 0.00 0.00 179.97 179.48 1p8i h PHE 135 N 0.53 0.00 -0.45 3.04 0.04 -1.63 -1.52 116.94 116.96 1p8i h PHE 135 Ca 0.55 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.30 1p8i h PHE 135 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1p8i h PHE 135 CO -0.00 0.00 0.18 0.28 -0.60 0.00 0.00 178.31 178.16 1p8i h VAL 136 N 0.00 1.20 -0.58 -0.55 2.07 -1.23 -1.26 116.25 115.91 1p8i h VAL 136 Ca 0.00 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1p8i h VAL 136 Cb 0.94 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1p8i h VAL 136 CO 0.00 0.23 0.06 -0.50 0.02 0.00 0.00 177.57 177.38 1p8i h TRP 137 N 0.58 1.00 -0.76 1.57 4.06 -1.29 -2.07 115.95 119.05 1p8i h TRP 137 Ca 0.15 -0.14 0.10 0.00 2.06 0.00 0.00 58.89 61.07 1p8i h TRP 137 Cb 0.19 -0.28 -0.08 0.00 -1.00 0.00 0.00 29.16 28.00 1p8i h TRP 137 CO 0.00 0.87 0.39 2.35 -3.56 0.00 0.00 178.44 178.49 1p8i h TRP 138 N 0.89 0.70 -0.23 0.49 7.01 -1.12 -1.72 115.95 121.96 1p8i h TRP 138 Ca 0.18 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 61.06 1p8i h TRP 138 Cb 0.43 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1p8i h TRP 138 CO 0.03 0.24 -0.46 0.00 -2.79 0.00 0.00 178.44 175.45 1p8i h ALA 139 N 1.46 0.76 -0.46 2.65 0.00 -0.56 -0.61 119.26 122.51 1p8i h ALA 139 Ca 0.38 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1p8i h ALA 139 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1p8i h ALA 139 CO -0.29 0.67 -0.27 0.82 0.00 0.00 0.00 179.25 180.18 1p8i h ILE 140 N 0.48 1.27 -0.39 0.00 2.04 -1.21 -0.59 117.51 119.11 1p8i h ILE 140 Ca 0.03 -1.44 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 1p8i h ILE 140 Cb 0.99 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1p8i h ILE 140 CO 0.09 0.49 0.24 -1.28 0.00 0.00 0.00 178.15 177.69 1p8i h SER 141 N 0.84 0.46 -1.01 1.72 0.87 -1.20 -2.03 113.55 113.20 1p8i h SER 141 Ca 0.10 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1p8i h SER 141 Cb 0.86 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 1p8i h SER 141 CO 0.08 0.37 0.66 0.74 -0.53 0.00 0.00 176.83 178.15 1p8i h THR 142 N 0.51 1.21 -0.40 2.23 2.02 -0.92 -1.06 112.91 116.50 1p8i h THR 142 Ca 0.14 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1p8i h THR 142 Cb -0.01 -0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.16 1p8i h THR 142 CO -0.03 0.24 0.10 0.00 0.37 0.00 0.00 175.52 176.21 1p8i h ALA 143 N 1.39 1.44 -0.54 6.16 0.00 -0.60 -0.02 119.26 127.09 1p8i h ALA 143 Ca 0.39 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1p8i h ALA 143 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1p8i h ALA 143 CO -0.11 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.57 1p8i h ALA 144 N 1.54 0.73 -0.44 0.00 0.00 -0.60 -1.16 119.26 119.34 1p8i h ALA 144 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1p8i h ALA 144 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1p8i h ALA 144 CO -0.00 0.54 0.25 1.98 0.00 0.00 0.00 179.25 182.01 1p8i h MET 145 N 0.83 0.61 -0.47 0.00 -1.53 -0.55 -1.81 114.93 112.00 1p8i h MET 145 Ca 0.16 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.31 1p8i h MET 145 Cb 0.51 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.42 1p8i h MET 145 CO 0.02 0.47 0.12 -0.07 0.14 0.00 0.00 176.91 177.59 1p8i h LEU 146 N 0.58 0.65 -0.58 3.39 3.38 -0.85 -0.19 115.31 121.69 1p8i h LEU 146 Ca 0.16 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1p8i h LEU 146 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1p8i h LEU 146 CO -0.03 0.65 0.29 0.22 0.09 0.00 0.00 178.44 179.66 1p8i h TYR 147 N 0.69 0.53 -0.60 1.13 3.20 -0.81 -0.76 116.97 120.34 1p8i h TYR 147 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1p8i h TYR 147 Cb 0.25 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1p8i h TYR 147 CO 0.01 0.24 0.22 0.82 -1.64 0.00 0.00 178.16 177.81 1p8i h ILE 148 N 0.55 1.23 -0.31 1.81 2.04 -0.62 -1.86 117.51 120.36 1p8i h ILE 148 Ca 0.26 -0.75 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 1p8i h ILE 148 Cb 0.20 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1p8i h ILE 148 CO -0.19 0.29 -0.36 -0.07 0.00 0.00 0.00 178.15 177.82 1p8i h LEU 149 N 0.84 0.75 -0.46 1.44 3.38 -0.86 -1.72 115.31 118.69 1p8i h LEU 149 Ca 0.20 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1p8i h LEU 149 Cb 0.23 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 1p8i h LEU 149 CO -0.01 1.04 0.05 0.22 0.09 0.00 0.00 178.44 179.82 1p8i h TYR 150 N 0.59 0.06 -0.38 1.13 3.20 -0.92 -2.31 116.97 118.35 1p8i h TYR 150 Ca 0.06 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.85 1p8i h TYR 150 Cb 0.89 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1p8i h TYR 150 CO 0.04 -0.05 -0.19 0.28 -1.64 0.00 0.00 178.16 176.60 1p8i h VAL 151 N 0.17 1.27 0.00 1.81 2.07 -1.00 0.56 116.25 121.13 1p8i h VAL 151 Ca 0.23 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1p8i h VAL 151 Cb 0.32 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1p8i h VAL 151 CO -0.34 0.43 -0.03 -0.07 0.02 0.00 0.00 177.57 177.58 1p8i h LEU 152 N 0.65 0.00 0.00 2.57 3.38 -1.02 -2.26 115.31 118.62 1p8i h LEU 152 Ca 0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 1p8i h LEU 152 Cb 0.68 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1p8i h LEU 152 CO 0.05 0.03 -2.14 0.49 0.09 0.00 0.00 178.44 176.96 1p8i n PHE 153 N -3.23 0.00 -0.92 1.13 3.72 -0.47 -4.76 117.46 112.93 1p8i n PHE 153 Ca -0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.42 1p8i n PHE 153 Cb 0.20 -0.81 0.05 0.00 -0.94 0.00 0.00 39.48 37.99 1p8i n PHE 153 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1p8i n PHE 154 N -2.72 0.00 0.32 1.38 3.72 0.19 -4.70 117.46 115.65 1p8i n PHE 154 Ca -0.29 -0.50 0.06 0.00 -0.05 0.00 0.00 57.45 56.66 1p8i n PHE 154 Cb 1.00 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 39.39 1p8i n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1p8i n GLY 155 N -0.66 -0.29 3.99 1.37 0.00 -0.85 -4.99 105.19 103.76 1p8i n GLY 155 Ca 0.06 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1p8i n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p8i s PHE 156 N -2.41 3.05 0.00 1.61 0.08 -1.26 -5.08 117.98 113.98 1p8i s PHE 156 Ca 0.01 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1p8i s PHE 156 Cb 0.08 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1p8i s PHE 156 CO 0.49 -0.10 0.00 0.43 -0.10 0.00 0.00 175.22 175.94 1p8i n SER 162 N -1.69 0.00 -4.72 1.36 7.64 -1.26 -5.18 113.62 109.76 1p8i n SER 162 Ca 0.02 -0.17 -0.35 0.00 1.01 0.00 0.00 58.87 59.38 1p8i n SER 162 Cb 0.58 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.87 1p8i n SER 162 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p8i s MET 163 N 0.46 2.28 0.55 1.43 0.00 -1.26 -4.95 119.30 117.81 1p8i s MET 163 Ca 0.00 1.86 -0.21 0.00 0.00 0.00 0.00 55.69 57.33 1p8i s MET 163 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 34.83 32.94 1p8i s MET 163 CO 0.00 -1.75 1.31 -0.98 0.00 0.00 0.00 175.02 173.61 1p8i s ARG 164 N -3.72 3.15 0.36 3.16 1.70 -1.26 -4.82 118.95 117.52 1p8i s ARG 164 Ca 0.77 2.12 0.15 0.00 -0.47 0.00 0.00 55.73 58.31 1p8i s ARG 164 Cb -0.32 -2.21 1.05 0.00 -0.57 0.00 0.00 34.95 32.90 1p8i s ARG 164 CO 0.43 -1.14 1.73 -1.35 -1.08 0.00 0.00 175.30 173.88 1p8i h PRO 165 N 1.40 0.42 -0.94 3.89 0.10 -2.00 0.57 132.00 135.44 1p8i h PRO 165 Ca -0.51 -0.03 0.01 0.00 0.10 0.00 0.00 66.00 65.58 1p8i h PRO 165 Cb 1.30 -0.09 -0.05 0.00 0.10 0.00 0.00 31.00 32.26 1p8i h PRO 165 CO 0.57 0.28 0.62 0.93 0.10 0.00 0.00 178.00 180.50 1p8i h GLU 166 N 0.43 1.25 -0.11 1.05 5.08 -2.00 -0.56 114.58 119.72 1p8i h GLU 166 Ca 0.65 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.92 1p8i h GLU 166 Cb 1.51 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1p8i h GLU 166 CO -0.41 0.83 0.01 0.28 -1.00 0.00 0.00 179.01 178.72 1p8i h VAL 167 N 1.28 1.22 -0.89 3.13 2.07 -1.22 -2.66 116.25 119.19 1p8i h VAL 167 Ca 0.35 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1p8i h VAL 167 Cb -0.14 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1p8i h VAL 167 CO -0.07 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.22 1p8i h ALA 168 N 0.78 1.13 0.38 1.67 0.00 -1.26 0.39 119.26 122.35 1p8i h ALA 168 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1p8i h ALA 168 Cb 0.30 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1p8i h ALA 168 CO 0.00 0.63 -0.22 1.03 0.00 0.00 0.00 179.25 180.70 1p8i h SER 169 N 1.23 -0.53 -0.02 0.00 0.87 -1.09 -0.21 113.55 113.81 1p8i h SER 169 Ca 0.31 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 1p8i h SER 169 Cb 0.01 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1p8i h SER 169 CO -0.05 -0.35 -0.43 0.74 -0.53 0.00 0.00 176.83 176.21 1p8i h THR 170 N -0.56 1.30 -0.53 2.23 2.02 -1.37 -2.53 112.91 113.47 1p8i h THR 170 Ca -0.04 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 65.46 1p8i h THR 170 Cb 0.45 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1p8i h THR 170 CO 0.06 0.50 0.04 0.15 0.37 0.00 0.00 175.52 176.64 1p8i h PHE 171 N 0.45 0.98 -0.80 3.16 3.57 -0.84 -1.32 116.94 122.14 1p8i h PHE 171 Ca 0.03 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 1p8i h PHE 171 Cb 0.93 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1p8i h PHE 171 CO 0.04 0.89 0.49 0.87 -2.23 0.00 0.00 178.31 178.36 1p8i h LYS 172 N 0.78 1.07 -0.09 1.11 1.57 -0.73 0.27 116.57 120.56 1p8i h LYS 172 Ca 0.15 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1p8i h LYS 172 Cb 0.47 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1p8i h LYS 172 CO 0.02 0.74 -0.00 0.28 -0.57 0.00 0.00 179.45 179.92 1p8i h VAL 173 N 1.09 1.26 -0.36 0.50 2.07 -1.24 -2.21 116.25 117.37 1p8i h VAL 173 Ca 0.29 -0.81 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 1p8i h VAL 173 Cb -0.06 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1p8i h VAL 173 CO -0.06 0.23 -0.22 -0.07 0.02 0.00 0.00 177.57 177.47 1p8i h LEU 174 N -0.13 0.70 -0.90 2.57 3.38 -0.83 -1.22 115.31 118.88 1p8i h LEU 174 Ca 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1p8i h LEU 174 Cb 0.36 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1p8i h LEU 174 CO 0.00 0.91 0.53 -0.09 0.09 0.00 0.00 178.44 179.88 1p8i h ARG 175 N 0.61 1.23 -0.25 1.13 2.43 -0.48 0.09 114.38 119.14 1p8i h ARG 175 Ca 0.09 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1p8i h ARG 175 Cb 0.70 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1p8i h ARG 175 CO 0.05 0.87 -0.29 -0.91 -1.51 0.00 0.00 179.97 178.18 1p8i h ASN 176 N 1.24 0.52 -0.71 -3.80 2.35 -0.96 -1.70 115.58 112.51 1p8i h ASN 176 Ca 0.32 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1p8i h ASN 176 Cb -0.03 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1p8i h ASN 176 CO -0.06 0.79 0.35 0.58 -1.65 0.00 0.00 177.43 177.45 1p8i h VAL 177 N 0.44 1.23 -0.20 2.81 2.07 -0.66 -2.82 116.25 119.12 1p8i h VAL 177 Ca 0.06 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1p8i h VAL 177 Cb 0.74 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1p8i h VAL 177 CO 0.06 0.27 -0.07 0.74 0.02 0.00 0.00 177.57 178.59 1p8i h THR 178 N 0.99 1.30 -0.48 2.57 2.02 -0.71 -1.09 112.91 117.51 1p8i h THR 178 Ca 0.24 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1p8i h THR 178 Cb 0.11 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1p8i h THR 178 CO -0.03 0.33 0.28 0.58 0.37 0.00 0.00 175.52 177.05 1p8i h VAL 179 N 0.10 1.15 -0.45 3.16 2.07 -1.33 0.22 116.25 121.17 1p8i h VAL 179 Ca 0.05 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1p8i h VAL 179 Cb 0.53 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1p8i h VAL 179 CO 0.02 0.16 0.03 0.58 0.02 0.00 0.00 177.57 178.39 1p8i h VAL 180 N 0.63 1.26 -0.02 2.57 2.07 -1.45 -2.35 116.25 118.96 1p8i h VAL 180 Ca 0.17 -0.98 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 1p8i h VAL 180 Cb 0.01 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1p8i h VAL 180 CO -0.03 0.34 -0.62 -0.07 0.02 0.00 0.00 177.57 177.21 1p8i h LEU 181 N 0.63 0.58 -0.86 2.57 3.38 -0.99 -3.23 115.31 117.39 1p8i h LEU 181 Ca 0.13 -0.73 -0.07 0.00 0.09 0.00 0.00 57.88 57.30 1p8i h LEU 181 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1p8i h LEU 181 CO 0.02 1.23 0.07 -0.50 0.09 0.00 0.00 178.44 179.35 1p8i h TRP 182 N -0.02 0.97 -0.03 1.13 4.06 -1.03 -2.02 115.95 119.00 1p8i h TRP 182 Ca -0.07 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.77 1p8i h TRP 182 Cb 1.31 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 29.20 1p8i h TRP 182 CO 0.14 0.84 0.04 0.77 -3.56 0.00 0.00 178.44 176.67 1p8i h SER 183 N 0.87 0.00 0.64 -3.49 0.02 -1.48 -2.10 113.55 108.00 1p8i h SER 183 Ca 0.18 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1p8i h SER 183 Cb 0.41 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1p8i h SER 183 CO 0.01 0.00 -0.60 0.00 -1.14 0.00 0.00 176.83 175.10 1p8i h ALA 184 N 1.95 0.98 -0.35 3.77 0.00 -1.38 -3.34 119.26 120.88 1p8i h ALA 184 Ca 0.02 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1p8i h ALA 184 Cb 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1p8i h ALA 184 CO -0.00 0.75 0.06 1.88 0.00 0.00 0.00 179.25 181.94 1p8i h TYR 185 N 0.00 0.10 -0.10 0.00 -1.99 -1.42 -1.35 116.97 112.21 1p8i h TYR 185 Ca -0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1p8i h TYR 185 Cb 1.08 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.82 1p8i h TYR 185 CO 0.00 0.01 0.03 -1.00 -0.00 0.00 0.00 178.16 177.19 1p8i h PRO 186 N 0.18 0.14 -0.33 4.88 0.13 -1.74 -1.54 132.00 133.73 1p8i h PRO 186 Ca 0.17 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 1p8i h PRO 186 Cb 0.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1p8i h PRO 186 CO -0.23 0.13 -0.13 0.28 -0.23 0.00 0.00 178.00 177.82 1p8i h VAL 187 N 0.14 1.29 -0.76 1.56 2.07 -1.46 -1.04 116.25 118.04 1p8i h VAL 187 Ca 0.04 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1p8i h VAL 187 Cb 0.06 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1p8i h VAL 187 CO -0.00 0.40 0.42 0.58 0.02 0.00 0.00 177.57 178.98 1p8i h VAL 188 N 0.43 1.23 -0.34 2.57 2.07 -0.79 -1.52 116.25 119.90 1p8i h VAL 188 Ca 0.08 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1p8i h VAL 188 Cb 0.65 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1p8i h VAL 188 CO 0.04 0.25 0.22 -0.25 0.02 0.00 0.00 177.57 177.86 1p8i h TRP 189 N 1.06 0.43 -0.97 1.57 7.01 -1.25 0.22 115.95 124.02 1p8i h TRP 189 Ca 0.27 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.30 1p8i h TRP 189 Cb 0.03 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 1p8i h TRP 189 CO 0.00 0.28 0.64 1.25 -2.79 0.00 0.00 178.44 177.82 1p8i h LEU 190 N 0.46 1.07 0.00 0.65 5.85 -0.75 -2.62 115.31 119.98 1p8i h LEU 190 Ca 0.12 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1p8i h LEU 190 Cb -0.04 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.73 1p8i h LEU 190 CO -0.03 0.75 -0.83 0.16 -0.34 0.00 0.00 178.44 178.15 1p8i h ILE 191 N 1.25 0.00 -2.75 4.05 3.07 -1.15 0.40 117.51 122.38 1p8i h ILE 191 Ca 0.38 -0.74 -0.01 0.00 1.55 0.00 0.00 64.86 66.03 1p8i h ILE 191 Cb -0.05 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1p8i h ILE 191 CO -0.11 0.00 0.01 0.61 -1.05 0.00 0.00 178.15 177.61 1p8i n GLY 192 N 1.26 -0.09 0.28 0.16 0.00 0.05 -0.73 105.19 106.13 1p8i n GLY 192 Ca 0.02 -1.83 0.18 0.00 0.00 0.00 0.00 46.02 44.39 1p8i n GLY 192 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1p8i h SER 193 N -0.03 0.00 1.77 1.61 4.64 -1.81 0.08 113.55 119.81 1p8i h SER 193 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1p8i h SER 193 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1p8i h SER 193 CO 0.01 0.00 -0.18 -0.33 -0.87 0.00 0.00 176.83 175.46 1p8i h GLU 194 N 0.00 0.00 0.00 4.77 3.07 -1.91 -3.44 114.58 117.08 1p8i h GLU 194 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1p8i h GLU 194 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1p8i h GLU 194 CO 0.00 0.18 0.00 0.41 -1.40 0.00 0.00 179.01 178.20 1p8i n GLY 195 N 1.09 1.31 0.12 -3.84 0.00 -0.16 -4.91 105.19 98.81 1p8i n GLY 195 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1p8i n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8i h ALA 196 N 0.46 1.00 -1.09 4.61 0.00 -0.85 -3.48 119.26 119.91 1p8i h ALA 196 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1p8i h ALA 196 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1p8i h ALA 196 CO 0.00 0.00 -0.20 0.41 0.00 0.00 0.00 179.25 179.46 1p8i n GLY 197 N 1.24 0.12 0.07 0.00 0.00 -0.21 -4.91 105.19 101.50 1p8i n GLY 197 Ca 0.05 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1p8i n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1p8i h ILE 198 N 0.00 1.47 -3.43 -0.61 2.04 -1.15 -3.45 117.51 112.38 1p8i h ILE 198 Ca -0.19 -3.20 -0.66 0.00 1.00 0.00 0.00 64.86 61.81 1p8i h ILE 198 Cb 1.09 2.75 -0.26 0.00 -0.74 0.00 0.00 36.82 39.66 1p8i h ILE 198 CO 0.23 0.85 -0.77 -0.69 0.00 0.00 0.00 178.15 177.77 1p8i s VAL 199 N -2.67 3.04 0.91 1.67 1.01 -0.30 -5.03 120.40 119.03 1p8i s VAL 199 Ca -0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1p8i s VAL 199 Cb 0.09 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.35 1p8i s VAL 199 CO 0.83 0.54 1.13 -2.84 0.00 0.00 0.00 175.10 174.75 1p8i s PRO 200 N 0.18 1.08 0.33 2.72 0.02 -1.26 -3.97 135.00 134.10 1p8i s PRO 200 Ca -0.08 1.44 0.01 0.00 0.02 0.00 0.00 61.00 62.39 1p8i s PRO 200 Cb -0.15 -1.74 0.56 0.00 0.02 0.00 0.00 34.50 33.18 1p8i s PRO 200 CO 0.05 -2.55 1.99 1.25 -0.33 0.00 0.00 177.00 177.41 1p8i h LEU 201 N -1.81 0.82 -0.72 -5.54 5.85 -1.98 -0.97 115.31 110.96 1p8i h LEU 201 Ca -0.44 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1p8i h LEU 201 Cb 1.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1p8i h LEU 201 CO 0.44 0.59 -0.08 -0.55 -0.34 0.00 0.00 178.44 178.49 1p8i h ASN 202 N 0.97 0.88 -0.10 1.25 -0.00 -1.94 -0.26 115.58 116.39 1p8i h ASN 202 Ca 0.27 -0.27 -0.19 0.00 -0.00 0.00 0.00 56.30 56.12 1p8i h ASN 202 Cb -0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.00 1p8i h ASN 202 CO -0.06 0.99 -0.62 0.40 -0.00 0.00 0.00 177.43 178.14 1p8i h ILE 203 N 0.81 1.30 -0.77 6.14 1.08 -1.84 -2.35 117.51 121.89 1p8i h ILE 203 Ca 0.14 -1.85 0.06 0.00 -0.39 0.00 0.00 64.86 62.81 1p8i h ILE 203 Cb 0.60 1.80 -0.06 0.00 -3.07 0.00 0.00 36.82 36.09 1p8i h ILE 203 CO 0.04 0.59 0.46 -0.08 -0.69 0.00 0.00 178.15 178.46 1p8i h GLU 204 N 0.53 0.81 -0.66 2.37 4.81 -0.95 -1.27 114.58 120.23 1p8i h GLU 204 Ca -0.01 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1p8i h GLU 204 Cb 1.21 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1p8i h GLU 204 CO 0.13 0.54 0.15 1.15 -0.73 0.00 0.00 179.01 180.24 1p8i h THR 205 N 0.84 1.26 -0.59 0.32 2.02 -0.97 -0.40 112.91 115.39 1p8i h THR 205 Ca 0.34 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1p8i h THR 205 Cb 0.17 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1p8i h THR 205 CO -0.17 0.36 0.37 0.25 0.37 0.00 0.00 175.52 176.70 1p8i h LEU 206 N 1.00 0.70 -0.58 2.58 5.85 -1.01 -0.80 115.31 123.04 1p8i h LEU 206 Ca 0.21 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1p8i h LEU 206 Cb 0.37 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1p8i h LEU 206 CO 0.00 0.54 0.31 -0.07 -0.34 0.00 0.00 178.44 178.88 1p8i h LEU 207 N 0.80 0.73 -1.11 2.25 3.38 -0.50 -1.67 115.31 119.18 1p8i h LEU 207 Ca 0.21 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1p8i h LEU 207 Cb -0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1p8i h LEU 207 CO -0.04 0.62 -0.43 -0.26 0.09 0.00 0.00 178.44 178.42 1p8i h PHE 208 N 0.78 0.00 -0.18 1.13 0.04 -0.93 -0.89 116.94 116.88 1p8i h PHE 208 Ca 0.20 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1p8i h PHE 208 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1p8i h PHE 208 CO -0.01 0.43 0.05 1.98 -0.60 0.00 0.00 178.31 180.16 1p8i h MET 209 N 0.00 0.28 -0.55 1.51 4.05 -0.66 -0.08 114.93 119.48 1p8i h MET 209 Ca -0.00 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1p8i h MET 209 Cb 0.79 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1p8i h MET 209 CO 0.06 0.41 0.36 0.28 0.23 0.00 0.00 176.91 178.24 1p8i h VAL 210 N 0.10 1.15 -0.28 -5.77 2.07 -1.14 -0.36 116.25 112.03 1p8i h VAL 210 Ca 0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1p8i h VAL 210 Cb 0.25 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1p8i h VAL 210 CO -0.00 0.15 0.13 -0.07 0.02 0.00 0.00 177.57 177.80 1p8i h LEU 211 N 0.75 0.37 -0.19 2.57 3.38 -1.04 -2.12 115.31 119.04 1p8i h LEU 211 Ca 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1p8i h LEU 211 Cb -0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1p8i h LEU 211 CO -0.04 0.40 0.13 0.44 0.09 0.00 0.00 178.44 179.46 1p8i h ASP 212 N 0.31 0.22 -0.54 -0.43 3.32 -0.83 0.32 116.42 118.78 1p8i h ASP 212 Ca 0.10 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1p8i h ASP 212 Cb 0.14 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1p8i h ASP 212 CO -0.01 0.16 0.15 0.58 -1.72 0.00 0.00 179.24 178.40 1p8i h VAL 213 N 0.26 1.23 -0.55 -1.35 2.07 -1.04 -0.70 116.25 116.16 1p8i h VAL 213 Ca 0.07 -0.84 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1p8i h VAL 213 Cb -0.03 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1p8i h VAL 213 CO -0.02 0.32 -0.08 0.28 0.02 0.00 0.00 177.57 178.09 1p8i h SER 214 N 0.87 1.01 0.99 0.57 0.02 -1.02 0.06 113.55 116.05 1p8i h SER 214 Ca 0.19 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1p8i h SER 214 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1p8i h SER 214 CO -0.00 1.11 -0.45 0.00 -1.14 0.00 0.00 176.83 176.34 1p8i h ALA 215 N 0.98 0.88 0.00 3.77 0.00 -0.06 0.44 119.26 125.27 1p8i h ALA 215 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1p8i h ALA 215 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1p8i h ALA 215 CO 0.04 0.57 -0.59 1.63 0.00 0.00 0.00 179.25 180.90 1p8i n LYS 216 N -3.46 0.31 -0.03 0.00 5.02 -0.30 -4.18 118.16 115.52 1p8i n LYS 216 Ca 0.00 0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.27 1p8i n LYS 216 Cb 0.59 -1.04 -0.11 0.00 -0.02 0.00 0.00 35.03 34.45 1p8i n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1p8i h VAL 217 N -0.59 1.56 0.03 -0.18 2.07 -1.22 -1.34 116.25 116.57 1p8i h VAL 217 Ca 0.00 -1.88 0.02 0.00 0.82 0.00 0.00 66.70 65.65 1p8i h VAL 217 Cb 0.59 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1p8i h VAL 217 CO 0.00 0.51 -0.12 1.23 0.02 0.00 0.00 177.57 179.21 1p8i h GLY 218 N -0.56 -0.17 0.30 2.17 0.00 -0.91 0.43 103.07 104.33 1p8i h GLY 218 Ca -0.02 0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.57 1p8i h GLY 218 CO 0.03 -0.12 0.34 -2.00 0.00 0.00 0.00 176.54 174.80 1p8i h LEU 219 N -0.21 0.40 -0.98 3.11 7.12 -1.02 -2.10 115.31 121.63 1p8i h LEU 219 Ca 0.03 0.08 -0.11 0.00 0.13 0.00 0.00 57.88 58.02 1p8i h LEU 219 Cb 0.25 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 1p8i h LEU 219 CO -0.10 0.19 -0.50 1.23 -0.13 0.00 0.00 178.44 179.14 1p8i h GLY 220 N 0.54 0.03 0.96 3.75 0.00 -0.22 -2.15 103.07 105.98 1p8i h GLY 220 Ca 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1p8i h GLY 220 CO -0.34 0.03 0.20 1.41 0.00 0.00 0.00 176.54 177.84 1p8i h LEU 221 N 0.02 0.60 -0.26 3.11 3.38 -0.41 0.03 115.31 121.79 1p8i h LEU 221 Ca -0.00 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1p8i h LEU 221 Cb 0.89 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1p8i h LEU 221 CO 0.07 0.58 0.12 0.40 0.09 0.00 0.00 178.44 179.69 1p8i h ILE 222 N 0.58 0.97 -0.16 1.22 2.04 -1.05 -3.06 117.51 118.05 1p8i h ILE 222 Ca 0.15 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1p8i h ILE 222 Cb 0.15 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1p8i h ILE 222 CO -0.02 0.05 0.02 0.25 0.00 0.00 0.00 178.15 178.44 1p8i h LEU 223 N 0.25 0.27 0.00 1.44 5.85 -1.10 -3.11 115.31 118.91 1p8i h LEU 223 Ca 0.11 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1p8i h LEU 223 Cb 0.05 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1p8i h LEU 223 CO -0.09 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.67 1p8i n LEU 224 N -4.77 0.00 0.01 2.25 4.77 -0.03 -2.41 117.00 116.82 1p8i n LEU 224 Ca -0.05 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.18 1p8i n LEU 224 Cb 0.20 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.02 1p8i n LEU 224 CO 0.36 -0.03 -0.52 0.54 -1.33 0.00 0.00 177.39 176.41 1p8i n ARG 225 N -1.14 0.53 -2.90 3.23 5.12 -1.16 -4.98 116.66 115.37 1p8i n ARG 225 Ca 0.15 -0.12 -0.34 0.00 -1.93 0.00 0.00 57.85 55.61 1p8i n ARG 225 Cb 0.14 -1.55 -0.07 0.00 -1.16 0.00 0.00 32.46 29.82 1p8i n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1p8i s SER 226 N -4.34 6.97 0.00 0.55 0.15 -1.01 -4.97 113.70 111.04 1p8i s SER 226 Ca -0.04 1.60 0.30 0.00 0.70 0.00 0.00 55.95 58.51 1p8i s SER 226 Cb 0.14 -2.50 1.41 0.00 -1.71 0.00 0.00 66.02 63.36 1p8i s SER 226 CO 0.88 -0.26 1.97 -1.14 1.20 0.00 0.00 173.24 175.89 1p8i n ARG 227 N -0.33 0.66 0.28 5.44 3.00 -1.26 -3.65 116.66 120.81 1p8i n ARG 227 Ca 0.05 -0.14 0.14 0.00 -0.00 0.00 0.00 57.85 57.90 1p8i n ARG 227 Cb 0.53 -1.50 0.87 0.00 0.00 0.00 0.00 32.46 32.37 1p8i n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8i h ALA 228 N 3.62 1.62 -0.00 5.13 0.00 -1.89 -1.91 119.26 125.83 1p8i h ALA 228 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p8i h ALA 228 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1p8i h ALA 228 CO 0.00 -0.03 -0.00 0.44 0.00 0.00 0.00 179.25 179.66 1p8i n ILE 229 N -3.94 0.00 -4.22 0.00 -5.35 -1.24 -4.86 119.36 99.74 1p8i n ILE 229 Ca -0.03 -0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1p8i n ILE 229 Cb 0.10 -0.49 -0.08 0.00 -1.74 0.00 0.00 39.64 37.43 1p8i n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1p8i s PHE 230 N -2.37 3.16 -2.00 4.28 0.08 -0.72 -1.81 117.98 118.60 1p8i s PHE 230 Ca 0.35 0.14 0.14 0.00 0.12 0.00 0.00 56.93 57.68 1p8i s PHE 230 Cb 0.21 -1.70 0.82 0.00 -0.57 0.00 0.00 43.02 41.78 1p8i s PHE 230 CO 0.43 0.50 1.25 0.41 -0.10 0.00 0.00 175.22 177.70