#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0i n GLU 9 N 0.00 0.92 0.22 0.54 1.02 -1.26 -3.95 120.64 118.13 1x0i n GLU 9 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1x0i n GLU 9 Cb 0.00 -1.33 0.33 0.00 -0.02 0.00 0.00 31.44 30.42 1x0i n GLU 9 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 1x0i h TRP 10 N 0.06 0.00 -0.54 -0.32 5.08 -1.99 -3.29 115.95 114.96 1x0i h TRP 10 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 1x0i h TRP 10 Cb 0.33 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.47 1x0i h TRP 10 CO 0.00 0.15 0.00 0.97 -1.28 0.00 0.00 178.44 178.29 1x0i h ILE 11 N 0.00 1.25 -0.55 0.12 2.10 -1.99 0.42 117.51 118.87 1x0i h ILE 11 Ca -0.00 -1.07 -0.05 0.00 1.08 0.00 0.00 64.86 64.82 1x0i h ILE 11 Cb 0.90 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 1x0i h ILE 11 CO 0.02 0.38 0.15 -0.50 -1.08 0.00 0.00 178.15 177.12 1x0i h TRP 12 N 0.84 0.90 0.03 2.19 -0.00 -1.89 0.46 115.95 118.48 1x0i h TRP 12 Ca 0.16 -0.10 -0.00 0.00 -0.00 0.00 0.00 58.89 58.95 1x0i h TRP 12 Cb 0.49 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 1x0i h TRP 12 CO 0.03 0.78 -0.01 -0.07 -0.00 0.00 0.00 178.44 179.16 1x0i h LEU 13 N 0.77 -0.03 -1.09 -4.49 3.38 -1.53 0.36 115.31 112.69 1x0i h LEU 13 Ca 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1x0i h LEU 13 Cb 0.31 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1x0i h LEU 13 CO -0.00 0.14 0.57 0.00 0.09 0.00 0.00 178.44 179.24 1x0i h ALA 14 N 0.77 1.33 -0.12 1.53 0.00 0.00 0.64 119.26 123.41 1x0i h ALA 14 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x0i h ALA 14 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1x0i h ALA 14 CO 0.01 0.60 0.04 1.25 0.00 0.00 0.00 179.25 181.15 1x0i h LEU 15 N 1.22 0.18 -0.15 0.00 5.85 0.21 0.24 115.31 122.86 1x0i h LEU 15 Ca 0.32 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1x0i h LEU 15 Cb -0.11 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1x0i h LEU 15 CO -0.07 0.31 0.08 1.23 -0.34 0.00 0.00 178.44 179.66 1x0i h GLY 16 N 0.03 0.22 0.47 3.75 0.00 0.53 0.16 103.07 108.23 1x0i h GLY 16 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1x0i h GLY 16 CO -0.00 0.10 -0.37 -0.84 0.00 0.00 0.00 176.54 175.42 1x0i h THR 17 N 0.14 0.24 -0.66 4.70 2.02 0.40 0.24 112.91 119.99 1x0i h THR 17 Ca 0.05 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.32 1x0i h THR 17 Cb 0.07 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 66.65 1x0i h THR 17 CO -0.01 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.19 1x0i h ALA 18 N -0.17 0.89 -0.53 6.16 0.00 -0.32 0.42 119.26 125.72 1x0i h ALA 18 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1x0i h ALA 18 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1x0i h ALA 18 CO -0.15 -0.10 -0.08 -0.07 0.00 0.00 0.00 179.25 178.86 1x0i h LEU 19 N 0.53 0.99 -0.42 0.00 3.38 -0.32 -1.02 115.31 118.45 1x0i h LEU 19 Ca 0.33 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1x0i h LEU 19 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1x0i h LEU 19 CO -0.27 1.10 0.03 0.24 0.09 0.00 0.00 178.44 179.63 1x0i h MET 20 N 0.86 0.72 0.04 1.13 2.86 -0.42 -0.66 114.93 119.46 1x0i h MET 20 Ca 0.14 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1x0i h MET 20 Cb 0.64 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1x0i h MET 20 CO 0.04 0.78 -0.07 0.78 1.06 0.00 0.00 176.91 179.50 1x0i h GLY 21 N 0.56 -0.12 1.23 8.32 0.00 -0.71 -1.55 103.07 110.80 1x0i h GLY 21 Ca 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1x0i h GLY 21 CO 0.01 -0.08 0.38 1.41 0.00 0.00 0.00 176.54 178.27 1x0i h LEU 22 N -0.15 0.90 -0.78 3.11 3.38 -1.13 -2.21 115.31 118.44 1x0i h LEU 22 Ca 0.01 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1x0i h LEU 22 Cb 0.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1x0i h LEU 22 CO -0.04 0.74 0.51 1.23 0.09 0.00 0.00 178.44 180.97 1x0i h GLY 23 N 1.06 1.09 0.70 0.83 0.00 -0.65 0.47 103.07 106.58 1x0i h GLY 23 Ca 0.26 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 1x0i h GLY 23 CO -0.04 0.40 -0.01 -0.91 0.00 0.00 0.00 176.54 175.98 1x0i h THR 24 N 1.05 1.20 -0.38 4.70 1.35 -0.80 -1.07 112.91 118.96 1x0i h THR 24 Ca 0.28 -0.70 0.08 0.00 -0.55 0.00 0.00 66.41 65.53 1x0i h THR 24 Cb -0.12 1.66 -0.08 0.00 -1.73 0.00 0.00 68.15 67.88 1x0i h THR 24 CO -0.06 0.18 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.11 1x0i h LEU 25 N -0.34 -0.70 0.34 3.87 3.38 -1.16 1.23 115.31 121.95 1x0i h LEU 25 Ca -0.00 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x0i h LEU 25 Cb 0.32 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1x0i h LEU 25 CO 0.01 -0.24 -0.48 0.22 0.09 0.00 0.00 178.44 178.04 1x0i h TYR 26 N -0.15 -1.33 -0.83 1.13 3.20 -0.80 0.35 116.97 118.54 1x0i h TYR 26 Ca 0.19 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1x0i h TYR 26 Cb 0.43 0.54 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 1x0i h TYR 26 CO -0.43 -0.61 0.51 0.74 -1.64 0.00 0.00 178.16 176.73 1x0i h PHE 27 N -0.87 0.95 0.46 -3.82 0.04 -0.50 0.19 116.94 113.39 1x0i h PHE 27 Ca -0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1x0i h PHE 27 Cb 0.80 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1x0i h PHE 27 CO -0.31 0.48 -0.38 1.25 -0.60 0.00 0.00 178.31 178.75 1x0i h LEU 28 N 0.94 -1.02 -0.93 1.54 7.12 0.21 -0.18 115.31 123.00 1x0i h LEU 28 Ca 0.36 0.08 -0.02 0.00 0.13 0.00 0.00 57.88 58.43 1x0i h LEU 28 Cb 0.17 0.33 -0.04 0.00 -0.53 0.00 0.00 40.66 40.58 1x0i h LEU 28 CO -0.17 -0.55 0.43 0.58 -0.13 0.00 0.00 178.44 178.60 1x0i h VAL 29 N -0.84 1.25 -0.50 1.05 2.07 0.01 -2.58 116.25 116.71 1x0i h VAL 29 Ca -0.05 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1x0i h VAL 29 Cb 0.73 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1x0i h VAL 29 CO -0.02 0.30 0.33 0.50 0.02 0.00 0.00 177.57 178.70 1x0i h LYS 30 N 1.19 0.66 -0.00 1.57 3.64 -0.26 -2.52 116.57 120.85 1x0i h LYS 30 Ca 0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1x0i h LYS 30 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1x0i h LYS 30 CO -0.04 0.43 0.00 0.41 -2.27 0.00 0.00 179.45 177.98 1x0i n GLY 31 N -1.46 -0.96 0.07 5.01 0.00 -0.11 -3.99 105.19 103.75 1x0i n GLY 31 Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1x0i n GLY 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1x0i h MET 32 N 0.07 0.04 -2.10 1.61 2.86 -1.51 -3.31 114.93 112.59 1x0i h MET 32 Ca 0.00 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1x0i h MET 32 Cb 0.02 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1x0i h MET 32 CO 0.00 0.57 -0.21 0.41 1.06 0.00 0.00 176.91 178.73 1x0i n GLY 33 N 0.36 2.63 2.80 8.32 0.00 -1.26 -4.80 105.19 113.25 1x0i n GLY 33 Ca -0.08 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1x0i n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0i s VAL 34 N 1.05 -0.09 -0.42 1.61 1.01 -1.25 -5.02 120.40 117.29 1x0i s VAL 34 Ca 0.46 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.78 1x0i s VAL 34 Cb 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.37 1x0i s VAL 34 CO 0.00 0.11 0.36 -1.54 0.00 0.00 0.00 175.10 174.03 1x0i n SER 35 N 4.56 0.51 -4.66 3.32 3.41 -1.26 -4.89 113.62 114.61 1x0i n SER 35 Ca -0.20 -0.75 -0.42 0.00 -0.26 0.00 0.00 58.87 57.24 1x0i n SER 35 Cb 0.50 0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.30 1x0i n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x0i s ASP 36 N -1.53 6.65 0.55 4.04 2.15 -1.26 -4.88 116.67 122.39 1x0i s ASP 36 Ca 0.04 2.15 0.24 0.00 0.43 0.00 0.00 52.55 55.40 1x0i s ASP 36 Cb 0.05 -2.53 1.45 0.00 -0.30 0.00 0.00 42.92 41.59 1x0i s ASP 36 CO 0.26 -0.95 2.07 1.55 -0.17 0.00 0.00 175.17 177.94 1x0i h PRO 37 N 9.58 0.00 -0.13 4.34 0.13 -1.97 -0.81 132.00 143.15 1x0i h PRO 37 Ca -0.38 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.53 1x0i h PRO 37 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1x0i h PRO 37 CO 0.96 0.00 -0.81 0.22 -0.23 0.00 0.00 178.00 178.14 1x0i h ASP 38 N 0.00 0.90 -0.25 1.44 3.58 -1.90 -2.94 116.42 117.25 1x0i h ASP 38 Ca 0.13 -0.61 -0.05 0.00 0.42 0.00 0.00 57.03 56.92 1x0i h ASP 38 Cb 0.56 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1x0i h ASP 38 CO -0.00 1.40 -0.04 0.00 -2.88 0.00 0.00 179.24 177.72 1x0i h ALA 39 N 0.57 0.35 -0.98 -0.78 0.00 -1.03 -2.92 119.26 114.47 1x0i h ALA 39 Ca -0.06 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1x0i h ALA 39 Cb 1.43 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1x0i h ALA 39 CO 0.16 0.13 0.63 0.87 0.00 0.00 0.00 179.25 181.04 1x0i h LYS 40 N 0.23 1.00 -0.22 0.00 1.57 -1.24 -0.55 116.57 117.36 1x0i h LYS 40 Ca 0.07 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1x0i h LYS 40 Cb 0.50 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1x0i h LYS 40 CO 0.02 0.66 0.12 -0.22 -0.57 0.00 0.00 179.45 179.46 1x0i h LYS 41 N 1.03 0.25 -0.73 3.15 3.64 -1.38 0.75 116.57 123.27 1x0i h LYS 41 Ca 0.46 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1x0i h LYS 41 Cb 0.38 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1x0i h LYS 41 CO -0.22 0.16 0.38 0.74 -2.27 0.00 0.00 179.45 178.25 1x0i h PHE 42 N 0.25 1.00 -0.38 1.91 0.04 -0.98 -2.04 116.94 116.75 1x0i h PHE 42 Ca 0.09 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.74 1x0i h PHE 42 Cb 0.00 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 1x0i h PHE 42 CO -0.08 0.70 -0.13 1.88 -0.60 0.00 0.00 178.31 180.08 1x0i h TYR 43 N 1.02 0.86 0.39 -0.55 -1.99 -0.65 -0.79 116.97 115.25 1x0i h TYR 43 Ca 0.26 -0.20 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 1x0i h TYR 43 Cb 0.05 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 1x0i h TYR 43 CO 0.01 0.92 -0.25 0.00 -0.00 0.00 0.00 178.16 178.84 1x0i h ALA 44 N 0.82 -0.61 0.15 3.88 0.00 -0.61 0.30 119.26 123.18 1x0i h ALA 44 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x0i h ALA 44 Cb 0.67 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1x0i h ALA 44 CO 0.05 -0.85 -0.12 0.82 0.00 0.00 0.00 179.25 179.14 1x0i h ILE 45 N -0.61 0.74 -0.26 0.00 2.04 -1.38 -1.72 117.51 116.32 1x0i h ILE 45 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1x0i h ILE 45 Cb 0.51 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1x0i h ILE 45 CO 0.04 0.00 -0.12 0.74 0.00 0.00 0.00 178.15 178.81 1x0i h THR 46 N -0.28 1.22 -0.01 -0.27 2.02 -1.09 -3.00 112.91 111.49 1x0i h THR 46 Ca -0.01 -0.95 -0.21 0.00 0.77 0.00 0.00 66.41 66.01 1x0i h THR 46 Cb 0.25 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1x0i h THR 46 CO -0.01 0.31 -0.88 0.74 0.37 0.00 0.00 175.52 176.05 1x0i h THR 47 N 0.40 1.42 0.00 3.16 2.02 -0.25 -3.11 112.91 116.56 1x0i h THR 47 Ca 0.08 -2.43 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1x0i h THR 47 Cb 0.46 2.37 -0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1x0i h THR 47 CO 0.03 0.72 -0.05 -0.07 0.37 0.00 0.00 175.52 176.52 1x0i h LEU 48 N 0.20 0.00 0.31 2.58 3.38 -1.17 -3.16 115.31 117.45 1x0i h LEU 48 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1x0i h LEU 48 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1x0i h LEU 48 CO 0.15 0.05 -0.15 0.58 0.09 0.00 0.00 178.44 179.15 1x0i h VAL 49 N 0.00 0.71 -0.00 1.22 2.07 -1.50 -2.19 116.25 116.56 1x0i h VAL 49 Ca -0.00 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 1x0i h VAL 49 Cb 0.26 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1x0i h VAL 49 CO 0.01 0.08 -0.55 1.55 0.02 0.00 0.00 177.57 178.67 1x0i h PRO 50 N -0.64 0.01 0.59 1.57 0.13 -1.72 -1.34 132.00 130.61 1x0i h PRO 50 Ca -0.04 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1x0i h PRO 50 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 1x0i h PRO 50 CO 0.07 0.56 -0.40 0.00 -0.23 0.00 0.00 178.00 178.00 1x0i h ALA 51 N 1.44 -1.18 -0.17 -0.56 0.00 -1.54 2.64 119.26 119.90 1x0i h ALA 51 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1x0i h ALA 51 Cb 0.98 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 1x0i h ALA 51 CO 0.07 -1.15 -0.23 0.82 0.00 0.00 0.00 179.25 178.76 1x0i h ILE 52 N -0.94 0.44 -0.91 0.00 2.04 -1.35 0.40 117.51 117.19 1x0i h ILE 52 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1x0i h ILE 52 Cb 0.77 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1x0i h ILE 52 CO 0.06 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.79 1x0i h ALA 53 N 0.73 1.67 -0.18 1.87 0.00 -0.88 -0.31 119.26 122.16 1x0i h ALA 53 Ca 0.11 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1x0i h ALA 53 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1x0i h ALA 53 CO -0.32 0.12 -0.00 0.35 0.00 0.00 0.00 179.25 179.39 1x0i h PHE 54 N 0.85 -0.01 -0.68 0.00 3.57 0.67 0.51 116.94 121.84 1x0i h PHE 54 Ca 0.44 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.88 1x0i h PHE 54 Cb 0.52 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1x0i h PHE 54 CO -0.00 -0.03 0.14 1.79 -2.23 0.00 0.00 178.31 177.98 1x0i h THR 55 N 0.06 1.26 -0.22 4.41 1.35 0.26 0.12 112.91 120.15 1x0i h THR 55 Ca 0.08 -1.00 -0.03 0.00 -0.55 0.00 0.00 66.41 64.92 1x0i h THR 55 Cb 0.10 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1x0i h THR 55 CO -0.14 0.38 0.04 0.24 -0.25 0.00 0.00 175.52 175.78 1x0i h MET 56 N 1.04 0.37 -0.38 4.72 2.86 -0.58 0.62 114.93 123.59 1x0i h MET 56 Ca 0.21 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1x0i h MET 56 Cb 0.40 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1x0i h MET 56 CO 0.01 0.51 -0.09 1.88 1.06 0.00 0.00 176.91 180.28 1x0i h TYR 57 N 0.17 0.70 -0.44 -0.22 -1.99 0.17 -1.45 116.97 113.91 1x0i h TYR 57 Ca 0.07 -0.11 -0.10 0.00 2.00 0.00 0.00 58.73 60.59 1x0i h TYR 57 Cb 0.32 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 1x0i h TYR 57 CO 0.02 0.71 -0.14 1.25 -0.00 0.00 0.00 178.16 180.00 1x0i h LEU 58 N 0.60 0.82 -0.67 3.88 5.85 -0.48 0.35 115.31 125.66 1x0i h LEU 58 Ca 0.11 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 1x0i h LEU 58 Cb 0.51 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1x0i h LEU 58 CO 0.03 0.97 -0.13 0.77 -0.34 0.00 0.00 178.44 179.74 1x0i h SER 59 N 0.74 0.89 -0.47 1.25 4.64 -0.48 0.16 113.55 120.28 1x0i h SER 59 Ca 0.12 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 61.02 1x0i h SER 59 Cb 0.65 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1x0i h SER 59 CO 0.05 1.03 -0.17 0.24 -0.87 0.00 0.00 176.83 177.10 1x0i h MET 60 N 0.79 0.95 -0.20 4.77 2.86 -1.03 -0.57 114.93 122.50 1x0i h MET 60 Ca 0.12 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1x0i h MET 60 Cb 0.66 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1x0i h MET 60 CO 0.05 1.06 0.11 1.25 1.06 0.00 0.00 176.91 180.43 1x0i h LEU 61 N 0.80 0.26 -0.61 1.22 5.85 -0.56 -1.79 115.31 120.46 1x0i h LEU 61 Ca 0.11 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1x0i h LEU 61 Cb 0.74 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1x0i h LEU 61 CO 0.06 0.28 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 1x0i n LEU 62 N -4.88 0.71 0.04 2.25 4.77 0.52 -2.99 117.00 117.42 1x0i n LEU 62 Ca -0.04 0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1x0i n LEU 62 Cb 0.08 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1x0i n LEU 62 CO 0.35 -0.51 -0.26 1.23 -1.33 0.00 0.00 177.39 176.86 1x0i h GLY 63 N 2.60 0.16 -6.73 -0.72 0.00 -0.38 -3.46 103.07 94.54 1x0i h GLY 63 Ca 0.00 -0.40 -0.64 0.00 0.00 0.00 0.00 47.33 46.30 1x0i h GLY 63 CO 0.00 0.35 1.37 2.98 0.00 0.00 0.00 176.54 181.24 1x0i n TYR 64 N -3.34 1.86 0.00 5.60 4.19 -0.74 -5.08 117.16 119.64 1x0i n TYR 64 Ca -0.13 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.19 1x0i n TYR 64 Cb 1.02 -2.62 0.00 0.00 0.49 0.00 0.00 39.34 38.23 1x0i n TYR 64 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1x0i n GLY 65 N 5.85 0.62 0.00 2.98 0.00 -1.26 -5.06 105.19 108.32 1x0i n GLY 65 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1x0i n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x0i n PRO 77 N 0.00 0.00 -1.68 1.61 -0.02 -1.26 -5.21 135.00 128.44 1x0i n PRO 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1x0i n PRO 77 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1x0i n PRO 77 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1x0i n ILE 78 N 0.00-10.50 -2.80 4.25 5.41 -1.26 -4.87 119.36 109.60 1x0i n ILE 78 Ca 0.00 2.50 -0.43 0.00 1.00 0.00 0.00 62.75 65.82 1x0i n ILE 78 Cb 0.00 -4.68 -0.04 0.00 -0.71 0.00 0.00 39.64 34.21 1x0i n ILE 78 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1x0i s TYR 79 N -0.38 2.66 0.25 1.39 2.02 -1.26 -4.90 117.35 117.14 1x0i s TYR 79 Ca 0.00 -0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.41 1x0i s TYR 79 Cb 0.00 -4.26 0.27 0.00 -0.40 0.00 0.00 41.96 37.57 1x0i s TYR 79 CO 0.00 -1.59 1.93 -1.49 -1.57 0.00 0.00 175.55 172.83 1x0i h TRP 80 N 9.53 1.26 -0.33 2.71 4.06 -2.01 -2.01 115.95 129.15 1x0i h TRP 80 Ca -0.27 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.70 1x0i h TRP 80 Cb 1.07 -0.43 -0.02 0.00 -1.00 0.00 0.00 29.16 28.79 1x0i h TRP 80 CO 0.97 0.79 0.18 0.00 -3.56 0.00 0.00 178.44 176.82 1x0i h ALA 81 N 1.37 1.70 -0.13 1.49 0.00 -1.92 -0.83 119.26 120.94 1x0i h ALA 81 Ca 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1x0i h ALA 81 Cb -0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1x0i h ALA 81 CO -0.08 0.26 0.06 -0.09 0.00 0.00 0.00 179.25 179.39 1x0i h ARG 82 N 0.45 0.19 -0.11 0.00 2.43 -1.71 0.13 114.38 115.77 1x0i h ARG 82 Ca 0.12 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 1x0i h ARG 82 Cb 0.02 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1x0i h ARG 82 CO -0.02 0.25 -0.71 1.88 -1.51 0.00 0.00 179.97 179.86 1x0i h TYR 83 N 0.08 0.66 -0.54 2.20 -1.99 -1.44 -2.24 116.97 113.70 1x0i h TYR 83 Ca 0.04 -0.28 -0.05 0.00 2.00 0.00 0.00 58.73 60.44 1x0i h TYR 83 Cb 0.13 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1x0i h TYR 83 CO -0.03 1.05 0.16 0.00 -0.00 0.00 0.00 178.16 179.34 1x0i h ALA 84 N 0.88 0.71 -0.59 3.88 0.00 -1.10 0.48 119.26 123.51 1x0i h ALA 84 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1x0i h ALA 84 Cb 1.29 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1x0i h ALA 84 CO 0.13 0.39 0.30 0.22 0.00 0.00 0.00 179.25 180.29 1x0i h ASP 85 N 0.76 0.43 -0.19 0.00 -0.00 -0.61 -0.73 116.42 116.07 1x0i h ASP 85 Ca 0.17 0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.21 1x0i h ASP 85 Cb 0.30 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1x0i h ASP 85 CO -0.00 0.28 0.01 -0.50 -0.00 0.00 0.00 179.24 179.03 1x0i h TRP 86 N 0.57 0.35 -0.64 0.28 6.55 -0.74 -1.92 115.95 120.39 1x0i h TRP 86 Ca 0.27 -0.06 0.07 0.00 0.95 0.00 0.00 58.89 60.12 1x0i h TRP 86 Cb 0.19 -0.09 -0.06 0.00 -0.86 0.00 0.00 29.16 28.33 1x0i h TRP 86 CO -0.10 0.52 0.32 1.25 -1.05 0.00 0.00 178.44 179.38 1x0i h LEU 87 N 0.09 0.44 0.00 -4.49 5.85 0.52 -1.01 115.31 116.70 1x0i h LEU 87 Ca 0.05 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1x0i h LEU 87 Cb 0.37 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1x0i h LEU 87 CO 0.01 0.27 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.85 1x0i h PHE 88 N 0.58 0.00 0.04 1.25 0.04 -1.14 -3.39 116.94 114.32 1x0i h PHE 88 Ca 0.30 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.69 1x0i h PHE 88 Cb 0.27 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 1x0i h PHE 88 CO -0.11 0.00 -2.33 2.41 -0.60 0.00 0.00 178.31 177.68 1x0i n THR 89 N -2.51 1.58 0.05 -1.55 -1.04 -0.73 -4.46 114.28 105.63 1x0i n THR 89 Ca 0.04 -0.58 0.05 0.00 -2.04 0.00 0.00 64.05 61.52 1x0i n THR 89 Cb 0.47 -1.53 0.47 0.00 -1.82 0.00 0.00 70.33 67.92 1x0i n THR 89 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1x0i h THR 90 N -0.03 1.08 -0.30 12.58 1.35 -1.39 -2.08 112.91 124.12 1x0i h THR 90 Ca -0.54 -0.15 -0.08 0.00 -0.55 0.00 0.00 66.41 65.09 1x0i h THR 90 Cb 1.92 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1x0i h THR 90 CO -0.05 0.08 -0.17 -0.65 -0.25 0.00 0.00 175.52 174.48 1x0i h PRO 91 N 0.44 0.54 -0.24 4.72 0.11 -1.79 -1.60 132.00 134.18 1x0i h PRO 91 Ca 0.12 -0.17 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1x0i h PRO 91 Cb -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1x0i h PRO 91 CO -0.03 0.68 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.20 1x0i h LEU 92 N 0.49 0.57 -0.71 2.35 3.38 -1.61 0.19 115.31 119.96 1x0i h LEU 92 Ca 0.08 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1x0i h LEU 92 Cb 0.57 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1x0i h LEU 92 CO 0.04 0.89 0.47 -0.07 0.09 0.00 0.00 178.44 179.86 1x0i h LEU 93 N 0.25 0.81 -0.29 1.67 -0.00 -1.31 0.33 115.31 116.77 1x0i h LEU 93 Ca 0.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1x0i h LEU 93 Cb 0.70 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1x0i h LEU 93 CO 0.05 0.58 0.17 -0.07 -0.00 0.00 0.00 178.44 179.17 1x0i h LEU 94 N 0.96 0.36 -0.54 1.67 4.07 -1.08 -1.91 115.31 118.82 1x0i h LEU 94 Ca 0.27 -0.06 0.08 0.00 0.08 0.00 0.00 57.88 58.24 1x0i h LEU 94 Cb -0.09 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.49 1x0i h LEU 94 CO -0.06 0.32 0.18 0.25 -1.08 0.00 0.00 178.44 178.04 1x0i h LEU 95 N 0.37 0.16 -0.20 1.67 5.85 0.11 -0.26 115.31 123.01 1x0i h LEU 95 Ca 0.10 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1x0i h LEU 95 Cb 0.03 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1x0i h LEU 95 CO -0.02 0.11 -0.12 0.44 -0.34 0.00 0.00 178.44 178.52 1x0i h ASP 96 N 0.35 -0.38 -0.74 1.25 3.32 -0.53 -0.25 116.42 119.44 1x0i h ASP 96 Ca 0.27 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.45 1x0i h ASP 96 Cb 0.32 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1x0i h ASP 96 CO -0.29 -0.15 0.46 -0.07 -1.72 0.00 0.00 179.24 177.47 1x0i h LEU 97 N -0.11 0.73 -0.55 1.55 4.07 -0.56 -1.70 115.31 118.74 1x0i h LEU 97 Ca 0.11 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 1x0i h LEU 97 Cb 0.27 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1x0i h LEU 97 CO -0.26 0.49 0.17 0.00 -1.08 0.00 0.00 178.44 177.76 1x0i h ALA 98 N 1.34 0.71 -0.40 1.53 0.00 -0.32 -2.82 119.26 119.29 1x0i h ALA 98 Ca 0.31 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1x0i h ALA 98 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1x0i h ALA 98 CO -0.14 0.38 -0.22 -0.07 0.00 0.00 0.00 179.25 179.21 1x0i h LEU 99 N 0.76 0.81 -1.46 0.00 3.38 -0.81 0.41 115.31 118.41 1x0i h LEU 99 Ca 0.18 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x0i h LEU 99 Cb 0.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1x0i h LEU 99 CO -0.01 1.00 0.33 0.25 0.09 0.00 0.00 178.44 180.10 1x0i h LEU 100 N 0.69 0.60 -1.86 1.67 5.85 -1.18 -2.33 115.31 118.77 1x0i h LEU 100 Ca 0.10 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1x0i h LEU 100 Cb 0.73 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1x0i h LEU 100 CO 0.06 0.45 -0.04 0.55 -0.34 0.00 0.00 178.44 179.12 1x0i n VAL 101 N -4.44 0.00 -3.44 1.05 3.14 -1.07 -4.99 118.33 108.57 1x0i n VAL 101 Ca 0.05 -0.48 -0.20 0.00 -2.96 0.00 0.00 64.34 60.75 1x0i n VAL 101 Cb 0.06 1.48 0.06 0.00 -1.06 0.00 0.00 33.84 34.39 1x0i n VAL 101 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1x0i n ASP 102 N 1.24 -4.61 -4.86 6.55 2.03 0.03 -4.58 116.55 112.35 1x0i n ASP 102 Ca 0.14 -0.77 -0.31 0.00 0.52 0.00 0.00 54.79 54.37 1x0i n ASP 102 Cb 0.59 -4.65 -0.01 0.00 -0.72 0.00 0.00 41.12 36.32 1x0i n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x0i s ALA 103 N -3.45 3.15 0.80 -1.67 0.00 -0.59 -5.04 121.76 114.96 1x0i s ALA 103 Ca 0.30 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 1x0i s ALA 103 Cb -0.06 -3.00 0.08 0.00 0.00 0.00 0.00 23.12 20.14 1x0i s ALA 103 CO 0.77 -0.38 1.14 -0.51 0.00 0.00 0.00 175.76 176.78 1x0i s ASP 104 N -3.58 3.99 0.26 0.00 1.01 -1.26 -4.87 116.67 112.21 1x0i s ASP 104 Ca 0.55 2.08 -0.03 0.00 0.71 0.00 0.00 52.55 55.86 1x0i s ASP 104 Cb -0.10 -2.55 0.32 0.00 1.01 0.00 0.00 42.92 41.60 1x0i s ASP 104 CO 0.41 -2.39 1.82 1.56 0.21 0.00 0.00 175.17 176.78 1x0i h GLN 105 N -1.05 0.97 -0.55 8.23 4.20 -1.99 -2.39 115.11 122.54 1x0i h GLN 105 Ca -0.45 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.09 1x0i h GLN 105 Cb 1.26 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 1x0i h GLN 105 CO 0.48 0.82 0.35 0.78 -0.67 0.00 0.00 178.83 180.59 1x0i h GLY 106 N 1.04 0.78 0.98 3.46 0.00 -1.99 -0.47 103.07 106.87 1x0i h GLY 106 Ca 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1x0i h GLY 106 CO -0.01 0.29 0.16 0.00 0.00 0.00 0.00 176.54 176.98 1x0i h THR 107 N 0.74 1.23 -0.33 4.70 1.03 -1.88 0.13 112.91 118.53 1x0i h THR 107 Ca 0.20 -0.79 0.06 0.00 -0.01 0.00 0.00 66.41 65.87 1x0i h THR 107 Cb -0.06 0.77 -0.05 0.00 -1.07 0.00 0.00 68.15 67.74 1x0i h THR 107 CO -0.04 0.29 0.02 0.40 -0.01 0.00 0.00 175.52 176.17 1x0i h ILE 108 N 0.70 0.78 -0.73 0.00 2.04 -1.01 0.64 117.51 119.93 1x0i h ILE 108 Ca 0.17 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 1x0i h ILE 108 Cb 0.28 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1x0i h ILE 108 CO -0.00 0.02 0.25 0.25 0.00 0.00 0.00 178.15 178.67 1x0i h LEU 109 N 0.11 1.03 -0.30 1.44 5.85 -0.71 -0.74 115.31 122.00 1x0i h LEU 109 Ca 0.16 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1x0i h LEU 109 Cb 0.21 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1x0i h LEU 109 CO -0.25 0.95 0.10 0.00 -0.34 0.00 0.00 178.44 178.89 1x0i h ALA 110 N 1.19 0.40 0.06 1.25 0.00 -0.23 -0.36 119.26 121.57 1x0i h ALA 110 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x0i h ALA 110 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1x0i h ALA 110 CO -0.01 0.02 -0.03 -0.07 0.00 0.00 0.00 179.25 179.16 1x0i h LEU 111 N 0.33 -0.07 -0.93 0.00 4.07 -0.66 0.29 115.31 118.34 1x0i h LEU 111 Ca 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1x0i h LEU 111 Cb 0.24 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 1x0i h LEU 111 CO -0.00 0.01 0.60 0.58 -1.08 0.00 0.00 178.44 178.54 1x0i h VAL 112 N -0.15 1.25 -0.16 1.22 2.07 -1.10 0.53 116.25 119.90 1x0i h VAL 112 Ca -0.01 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1x0i h VAL 112 Cb 0.12 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1x0i h VAL 112 CO 0.01 0.25 -0.00 1.23 0.02 0.00 0.00 177.57 179.08 1x0i h GLY 113 N 1.27 0.31 0.79 2.17 0.00 -0.89 -0.29 103.07 106.43 1x0i h GLY 113 Ca 0.34 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.52 1x0i h GLY 113 CO -0.07 0.21 0.58 0.00 0.00 0.00 0.00 176.54 177.26 1x0i h ALA 114 N 0.77 1.58 -0.20 3.60 0.00 -0.58 -1.22 119.26 123.22 1x0i h ALA 114 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1x0i h ALA 114 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x0i h ALA 114 CO 0.01 0.26 0.01 0.22 0.00 0.00 0.00 179.25 179.74 1x0i h ASP 115 N 0.94 0.34 -0.97 0.00 1.82 -0.57 0.12 116.42 118.10 1x0i h ASP 115 Ca 0.40 -0.30 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1x0i h ASP 115 Cb 0.31 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.17 1x0i h ASP 115 CO -0.16 0.56 0.63 1.23 -1.61 0.00 0.00 179.24 179.88 1x0i h GLY 116 N 0.11 1.46 1.25 -0.78 0.00 -0.33 -1.37 103.07 103.41 1x0i h GLY 116 Ca 0.06 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 1x0i h GLY 116 CO 0.01 0.33 -0.30 -2.22 0.00 0.00 0.00 176.54 174.36 1x0i h ILE 117 N 1.13 1.28 0.17 2.60 2.04 -0.91 0.17 117.51 123.99 1x0i h ILE 117 Ca 0.42 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1x0i h ILE 117 Cb 0.17 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1x0i h ILE 117 CO -0.16 0.49 -0.09 -0.03 0.00 0.00 0.00 178.15 178.35 1x0i h MET 118 N 0.71 -0.23 -0.05 2.37 4.05 0.14 -0.49 114.93 121.43 1x0i h MET 118 Ca 0.08 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1x0i h MET 118 Cb 0.85 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.70 1x0i h MET 118 CO 0.07 -0.15 -0.05 0.82 0.23 0.00 0.00 176.91 177.83 1x0i h ILE 119 N -0.24 1.38 0.04 1.77 1.08 -1.28 -1.65 117.51 118.61 1x0i h ILE 119 Ca -0.02 -1.20 0.03 0.00 -0.39 0.00 0.00 64.86 63.28 1x0i h ILE 119 Cb 0.19 2.08 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 1x0i h ILE 119 CO 0.03 0.33 -0.34 1.23 -0.69 0.00 0.00 178.15 178.70 1x0i h GLY 120 N -0.34 -0.61 1.57 5.37 0.00 -0.95 -0.44 103.07 107.66 1x0i h GLY 120 Ca 0.01 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 1x0i h GLY 120 CO 0.01 -0.24 0.26 -0.84 0.00 0.00 0.00 176.54 175.73 1x0i h THR 121 N -0.52 1.12 -0.68 4.70 2.02 -1.15 -1.43 112.91 116.97 1x0i h THR 121 Ca 0.05 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 1x0i h THR 121 Cb 0.59 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1x0i h THR 121 CO -0.25 0.13 0.12 1.23 0.37 0.00 0.00 175.52 177.12 1x0i h GLY 122 N 0.63 1.21 0.77 2.16 0.00 -0.26 -1.20 103.07 106.39 1x0i h GLY 122 Ca 0.16 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1x0i h GLY 122 CO -0.03 0.74 -0.07 -2.00 0.00 0.00 0.00 176.54 175.18 1x0i h LEU 123 N 1.05 0.36 -0.73 3.11 5.85 -0.46 -1.80 115.31 122.69 1x0i h LEU 123 Ca 0.21 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.62 1x0i h LEU 123 Cb 0.43 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1x0i h LEU 123 CO 0.01 0.68 0.37 0.58 -0.34 0.00 0.00 178.44 179.74 1x0i h VAL 124 N 0.04 0.86 -0.47 1.05 2.07 -1.18 0.89 116.25 119.51 1x0i h VAL 124 Ca 0.04 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1x0i h VAL 124 Cb 0.53 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1x0i h VAL 124 CO 0.02 0.12 0.20 1.23 0.02 0.00 0.00 177.57 179.16 1x0i h GLY 125 N 0.64 0.64 1.25 2.17 0.00 -1.01 0.43 103.07 107.18 1x0i h GLY 125 Ca 0.35 -0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.65 1x0i h GLY 125 CO -0.26 0.05 0.30 0.00 0.00 0.00 0.00 176.54 176.63 1x0i h ALA 126 N 1.29 2.16 -0.42 3.60 0.00 -0.01 -0.76 119.26 125.12 1x0i h ALA 126 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x0i h ALA 126 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1x0i h ALA 126 CO -0.19 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.07 1x0i n LEU 127 N -4.46 4.43 -4.50 0.00 4.32 0.10 -4.89 117.00 112.00 1x0i n LEU 127 Ca 0.07 -2.25 -0.34 0.00 -0.02 0.00 0.00 56.01 53.47 1x0i n LEU 127 Cb 0.37 -0.63 -0.12 0.00 -1.62 0.00 0.00 43.42 41.42 1x0i n LEU 127 CO 0.35 0.53 -0.34 -0.89 -1.22 0.00 0.00 177.39 175.81 1x0i s THR 128 N -2.27 3.95 0.08 -5.08 2.01 -0.29 -5.01 115.64 109.02 1x0i s THR 128 Ca 0.40 -0.34 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 1x0i s THR 128 Cb 0.30 -2.74 -0.13 0.00 0.01 0.00 0.00 72.50 69.94 1x0i s THR 128 CO 0.12 0.48 1.33 0.07 -0.69 0.00 0.00 174.62 175.93 1x0i h LYS 129 N 6.79 0.65 -6.65 4.92 2.10 -1.90 -3.45 116.57 119.02 1x0i h LYS 129 Ca -0.32 -0.44 -0.52 0.00 -2.00 0.00 0.00 60.65 57.37 1x0i h LYS 129 Cb 1.19 0.06 0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1x0i h LYS 129 CO 0.63 1.05 0.56 0.08 -2.00 0.00 0.00 179.45 179.78 1x0i s VAL 130 N -4.00 3.57 0.15 0.07 1.01 -1.26 -4.94 120.40 115.00 1x0i s VAL 130 Ca -0.12 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 1x0i s VAL 130 Cb 0.07 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1x0i s VAL 130 CO 0.84 0.20 1.53 1.88 0.00 0.00 0.00 175.10 179.56 1x0i h TYR 131 N 5.34 1.07 0.20 5.22 -1.99 -1.98 -1.55 116.97 123.28 1x0i h TYR 131 Ca -0.44 -0.26 0.01 0.00 2.00 0.00 0.00 58.73 60.04 1x0i h TYR 131 Cb 1.21 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 39.65 1x0i h TYR 131 CO 0.63 1.06 -0.53 1.03 -0.00 0.00 0.00 178.16 180.34 1x0i h SER 132 N 0.77 -1.56 -0.63 3.88 0.87 -1.99 0.40 113.55 115.29 1x0i h SER 132 Ca 0.10 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1x0i h SER 132 Cb 0.76 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 63.25 1x0i h SER 132 CO 0.06 -0.59 0.32 1.88 -0.53 0.00 0.00 176.83 177.97 1x0i h TYR 133 N -0.81 0.92 -0.21 2.24 0.05 -1.98 -2.46 116.97 114.72 1x0i h TYR 133 Ca -0.02 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.79 1x0i h TYR 133 Cb 0.79 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.17 1x0i h TYR 133 CO -0.41 0.67 -0.33 -0.09 -1.05 0.00 0.00 178.16 176.95 1x0i h ARG 134 N 0.93 -0.35 -0.45 4.88 9.65 -0.36 0.14 114.38 128.83 1x0i h ARG 134 Ca 0.23 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.15 1x0i h ARG 134 Cb 0.09 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1x0i h ARG 134 CO -0.03 -0.23 0.30 0.35 2.80 0.00 0.00 179.97 183.16 1x0i h PHE 135 N -0.36 0.52 -0.05 2.20 3.57 -0.60 -0.95 116.94 121.28 1x0i h PHE 135 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1x0i h PHE 135 Cb 0.55 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1x0i h PHE 135 CO -0.45 0.32 0.03 0.28 -2.23 0.00 0.00 178.31 176.26 1x0i h VAL 136 N 0.56 1.08 -0.76 1.41 2.07 -0.35 0.13 116.25 120.38 1x0i h VAL 136 Ca 0.17 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1x0i h VAL 136 Cb 0.00 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1x0i h VAL 136 CO -0.04 0.06 0.33 -0.50 0.02 0.00 0.00 177.57 177.45 1x0i h TRP 137 N -0.00 1.13 -0.99 1.57 4.06 -0.50 -1.50 115.95 119.73 1x0i h TRP 137 Ca 0.02 -0.07 0.02 0.00 2.06 0.00 0.00 58.89 60.91 1x0i h TRP 137 Cb 0.08 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 27.84 1x0i h TRP 137 CO -0.05 0.85 0.65 2.35 -3.56 0.00 0.00 178.44 178.69 1x0i h TRP 138 N 1.09 1.24 -0.28 0.49 7.01 -0.88 0.38 115.95 124.99 1x0i h TRP 138 Ca 0.26 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 1x0i h TRP 138 Cb 0.18 -0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1x0i h TRP 138 CO 0.02 0.76 0.05 0.00 -2.79 0.00 0.00 178.44 176.48 1x0i h ALA 139 N 1.39 0.37 -0.25 2.65 0.00 -0.09 0.19 119.26 123.52 1x0i h ALA 139 Ca 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x0i h ALA 139 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1x0i h ALA 139 CO -0.09 0.05 0.09 0.82 0.00 0.00 0.00 179.25 180.12 1x0i h ILE 140 N 0.28 1.18 -0.80 0.00 2.04 -0.95 0.31 117.51 119.57 1x0i h ILE 140 Ca 0.09 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1x0i h ILE 140 Cb 0.32 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1x0i h ILE 140 CO 0.00 0.18 0.39 -1.28 0.00 0.00 0.00 178.15 177.45 1x0i h SER 141 N 0.25 1.03 -0.16 1.72 0.87 -0.84 -1.09 113.55 115.33 1x0i h SER 141 Ca 0.08 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.35 1x0i h SER 141 Cb 0.20 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1x0i h SER 141 CO -0.01 0.87 -0.49 0.74 -0.53 0.00 0.00 176.83 177.41 1x0i h THR 142 N 1.12 1.29 -0.88 2.23 2.02 -0.42 -2.05 112.91 116.22 1x0i h THR 142 Ca 0.27 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 1x0i h THR 142 Cb 0.10 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1x0i h THR 142 CO -0.04 0.54 0.50 0.00 0.37 0.00 0.00 175.52 176.90 1x0i h ALA 143 N 0.88 1.13 -0.43 6.16 0.00 0.01 -1.46 119.26 125.55 1x0i h ALA 143 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1x0i h ALA 143 Cb 1.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1x0i h ALA 143 CO 0.10 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 1x0i h ALA 144 N 1.27 1.03 -0.36 0.00 0.00 -0.98 -2.28 119.26 117.93 1x0i h ALA 144 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x0i h ALA 144 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1x0i h ALA 144 CO -0.05 0.59 0.13 1.98 0.00 0.00 0.00 179.25 181.90 1x0i h MET 145 N 0.70 0.55 -0.97 0.00 -1.53 -0.79 -2.27 114.93 110.62 1x0i h MET 145 Ca 0.12 -0.11 0.05 0.00 -3.44 0.00 0.00 59.70 56.32 1x0i h MET 145 Cb 0.56 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.47 1x0i h MET 145 CO 0.03 0.55 0.63 -0.07 0.14 0.00 0.00 176.91 178.20 1x0i h LEU 146 N 0.44 1.02 -0.28 3.39 3.38 -1.02 0.20 115.31 122.43 1x0i h LEU 146 Ca 0.12 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1x0i h LEU 146 Cb 0.22 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1x0i h LEU 146 CO -0.01 0.68 0.13 0.22 0.09 0.00 0.00 178.44 179.54 1x0i h TYR 147 N 1.17 0.23 0.59 1.13 3.20 -1.09 0.27 116.97 122.47 1x0i h TYR 147 Ca 0.40 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.25 1x0i h TYR 147 Cb 0.10 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.31 1x0i h TYR 147 CO -0.00 0.12 -0.28 0.82 -1.64 0.00 0.00 178.16 177.18 1x0i h ILE 148 N 0.27 0.41 -0.10 1.81 2.04 -0.69 -1.41 117.51 119.84 1x0i h ILE 148 Ca 0.12 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1x0i h ILE 148 Cb 0.06 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1x0i h ILE 148 CO -0.10 0.01 0.09 -0.07 0.00 0.00 0.00 178.15 178.08 1x0i h LEU 149 N -0.84 0.00 -0.02 1.44 3.38 -0.50 -0.73 115.31 118.05 1x0i h LEU 149 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x0i h LEU 149 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x0i h LEU 149 CO 0.13 0.00 -0.01 0.22 0.09 0.00 0.00 178.44 178.87 1x0i h TYR 150 N 0.00 0.04 -0.63 1.13 3.20 -0.08 -0.57 116.97 120.06 1x0i h TYR 150 Ca 0.05 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1x0i h TYR 150 Cb 0.22 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1x0i h TYR 150 CO 0.00 0.46 0.31 0.28 -1.64 0.00 0.00 178.16 177.57 1x0i h VAL 151 N -0.39 1.21 -0.03 1.81 2.07 -0.42 0.09 116.25 120.59 1x0i h VAL 151 Ca 0.00 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1x0i h VAL 151 Cb 0.45 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1x0i h VAL 151 CO 0.00 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 177.77 1x0i h LEU 152 N 0.86 0.06 -0.05 2.57 3.38 -1.17 0.25 115.31 121.21 1x0i h LEU 152 Ca 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1x0i h LEU 152 Cb 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1x0i h LEU 152 CO -0.03 0.32 -0.01 0.15 0.09 0.00 0.00 178.44 178.96 1x0i h PHE 153 N -0.21 0.12 0.03 1.13 3.57 -1.03 -3.13 116.94 117.42 1x0i h PHE 153 Ca 0.01 -0.03 -0.36 0.00 3.53 0.00 0.00 57.97 61.13 1x0i h PHE 153 Cb 0.29 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1x0i h PHE 153 CO 0.02 0.44 -2.18 1.19 -2.23 0.00 0.00 178.31 175.55 1x0i n PHE 154 N -4.83 0.53 0.05 0.41 3.72 0.01 -3.94 117.46 113.41 1x0i n PHE 154 Ca -0.07 0.14 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 1x0i n PHE 154 Cb 0.22 -1.08 -0.15 0.00 -0.94 0.00 0.00 39.48 37.53 1x0i n PHE 154 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1x0i h GLY 155 N 2.51 0.39 1.86 1.37 0.00 -0.87 -3.33 103.07 104.99 1x0i h GLY 155 Ca -0.47 -0.99 -0.15 0.00 0.00 0.00 0.00 47.33 45.71 1x0i h GLY 155 CO 0.02 0.87 -0.67 0.74 0.00 0.00 0.00 176.54 177.50 1x0i h PHE 156 N -0.13 0.18 -0.36 5.60 -1.00 -0.59 -2.94 116.94 117.71 1x0i h PHE 156 Ca -0.29 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.41 1x0i h PHE 156 Cb 1.90 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 41.42 1x0i h PHE 156 CO 0.13 0.76 0.21 1.15 -1.61 0.00 0.00 178.31 178.95 1x0i h THR 157 N 0.09 1.11 -0.36 -1.55 2.02 -1.68 0.20 112.91 112.75 1x0i h THR 157 Ca -0.01 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 1x0i h THR 157 Cb 1.19 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1x0i h THR 157 CO 0.10 0.11 -0.21 0.28 0.37 0.00 0.00 175.52 176.17 1x0i h SER 158 N 0.49 0.81 -0.43 4.18 0.02 -1.63 -2.32 113.55 114.67 1x0i h SER 158 Ca 0.13 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1x0i h SER 158 Cb -0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1x0i h SER 158 CO -0.02 1.06 0.23 0.50 -1.14 0.00 0.00 176.83 177.46 1x0i h LYS 159 N 0.57 0.61 -0.74 3.45 1.63 -1.09 -2.79 116.57 118.21 1x0i h LYS 159 Ca 0.08 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1x0i h LYS 159 Cb 0.77 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 1x0i h LYS 159 CO 0.06 0.49 0.41 0.00 -3.45 0.00 0.00 179.45 176.96 1x0i h ALA 160 N 1.08 1.35 0.00 5.00 0.00 -0.58 -1.77 119.26 124.34 1x0i h ALA 160 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x0i h ALA 160 Cb 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1x0i h ALA 160 CO -0.02 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.16 1x0i n GLU 161 N -4.37 0.03 0.00 0.00 4.71 -0.88 -0.51 120.64 119.62 1x0i n GLU 161 Ca 0.07 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.84 1x0i n GLU 161 Cb 0.09 -1.60 0.13 0.00 -1.01 0.00 0.00 31.44 29.05 1x0i n GLU 161 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1x0i n SER 162 N -1.67 1.53 -4.00 1.62 3.41 -0.67 -4.94 113.62 108.90 1x0i n SER 162 Ca 0.00 -1.20 -0.16 0.00 -0.26 0.00 0.00 58.87 57.25 1x0i n SER 162 Cb 0.03 0.40 0.08 0.00 -0.26 0.00 0.00 64.21 64.45 1x0i n SER 162 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1x0i n MET 163 N -0.44 0.26 -1.77 4.33 2.81 0.33 -5.08 117.12 117.56 1x0i n MET 163 Ca 0.10 -2.13 -0.32 0.00 -1.81 0.00 0.00 57.70 53.53 1x0i n MET 163 Cb 0.41 -0.40 0.04 0.00 -0.71 0.00 0.00 33.22 32.55 1x0i n MET 163 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1x0i s ARG 164 N -4.29 3.05 0.24 0.03 1.70 -1.26 -4.78 118.95 113.64 1x0i s ARG 164 Ca 0.49 1.10 -0.07 0.00 -0.47 0.00 0.00 55.73 56.78 1x0i s ARG 164 Cb -0.03 -2.00 0.43 0.00 -0.57 0.00 0.00 34.95 32.78 1x0i s ARG 164 CO 0.32 -1.02 1.64 -1.00 -1.08 0.00 0.00 175.30 174.16 1x0i h PRO 165 N -0.20 0.11 -0.88 3.89 0.13 -1.97 -0.87 132.00 132.20 1x0i h PRO 165 Ca -0.45 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.79 1x0i h PRO 165 Cb 1.22 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1x0i h PRO 165 CO 0.56 0.07 0.57 1.49 -0.23 0.00 0.00 178.00 180.46 1x0i h GLU 166 N 0.11 0.76 -0.04 0.86 4.57 -1.99 -0.07 114.58 118.77 1x0i h GLU 166 Ca 0.41 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1x0i h GLU 166 Cb 0.71 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1x0i h GLU 166 CO -0.65 0.50 -0.06 0.28 -1.18 0.00 0.00 179.01 177.90 1x0i h VAL 167 N 0.78 1.41 0.09 0.32 2.07 -1.51 -1.78 116.25 117.63 1x0i h VAL 167 Ca 0.43 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1x0i h VAL 167 Cb 0.55 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1x0i h VAL 167 CO -0.19 0.36 -0.08 0.00 0.02 0.00 0.00 177.57 177.68 1x0i h ALA 168 N 0.50 -0.16 -0.78 1.67 0.00 -0.91 0.29 119.26 119.88 1x0i h ALA 168 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1x0i h ALA 168 Cb 0.61 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1x0i h ALA 168 CO 0.01 -0.60 0.34 0.66 0.00 0.00 0.00 179.25 179.67 1x0i h SER 169 N -0.18 1.03 -0.34 0.00 4.64 -1.11 0.27 113.55 117.87 1x0i h SER 169 Ca 0.00 -0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1x0i h SER 169 Cb 0.17 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1x0i h SER 169 CO -0.01 0.89 -0.34 0.74 -0.87 0.00 0.00 176.83 177.24 1x0i h THR 170 N 1.11 1.29 -0.47 2.95 2.02 -1.05 -2.63 112.91 116.13 1x0i h THR 170 Ca 0.26 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 1x0i h THR 170 Cb 0.16 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1x0i h THR 170 CO -0.03 0.50 0.29 0.15 0.37 0.00 0.00 175.52 176.79 1x0i h PHE 171 N 0.61 0.62 -0.97 3.16 3.57 0.07 -1.89 116.94 122.11 1x0i h PHE 171 Ca 0.05 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.68 1x0i h PHE 171 Cb 0.92 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 1x0i h PHE 171 CO 0.07 0.42 0.62 0.87 -2.23 0.00 0.00 178.31 178.06 1x0i h LYS 172 N 0.63 0.90 -0.18 1.11 1.57 -0.34 0.33 116.57 120.59 1x0i h LYS 172 Ca 0.17 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1x0i h LYS 172 Cb -0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1x0i h LYS 172 CO -0.03 0.59 -0.25 0.28 -0.57 0.00 0.00 179.45 179.48 1x0i h VAL 173 N 0.92 1.34 -0.72 0.50 2.07 -1.11 -2.16 116.25 117.09 1x0i h VAL 173 Ca 0.48 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1x0i h VAL 173 Cb 0.53 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1x0i h VAL 173 CO -0.25 0.44 0.23 -0.07 0.02 0.00 0.00 177.57 177.95 1x0i h LEU 174 N 0.13 1.03 0.31 2.57 3.38 -0.66 -1.56 115.31 120.53 1x0i h LEU 174 Ca 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1x0i h LEU 174 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1x0i h LEU 174 CO 0.06 0.95 -0.26 -0.09 0.09 0.00 0.00 178.44 179.19 1x0i h ARG 175 N 1.07 -0.56 -0.99 1.13 2.43 -0.33 -0.50 114.38 116.62 1x0i h ARG 175 Ca 0.24 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1x0i h ARG 175 Cb 0.28 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 1x0i h ARG 175 CO -0.01 -0.37 0.64 -0.91 -1.51 0.00 0.00 179.97 177.81 1x0i h ASN 176 N -0.58 1.04 0.11 -3.80 2.35 -1.23 -0.85 115.58 112.63 1x0i h ASN 176 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1x0i h ASN 176 Cb 0.52 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1x0i h ASN 176 CO -0.02 0.68 -0.05 0.58 -1.65 0.00 0.00 177.43 176.97 1x0i h VAL 177 N 1.19 1.00 -0.57 2.81 2.07 -0.98 -2.54 116.25 119.23 1x0i h VAL 177 Ca 0.42 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1x0i h VAL 177 Cb 0.11 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1x0i h VAL 177 CO -0.16 0.10 -0.01 0.71 0.02 0.00 0.00 177.57 178.24 1x0i h THR 178 N -0.34 1.26 -0.26 2.57 1.35 -0.79 -1.25 112.91 115.45 1x0i h THR 178 Ca -0.02 -1.12 0.05 0.00 -0.55 0.00 0.00 66.41 64.77 1x0i h THR 178 Cb 0.28 0.83 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 1x0i h THR 178 CO 0.03 0.40 -0.03 0.58 -0.25 0.00 0.00 175.52 176.25 1x0i h VAL 179 N 0.91 0.77 0.17 6.82 2.07 -1.14 0.32 116.25 126.17 1x0i h VAL 179 Ca 0.16 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1x0i h VAL 179 Cb 0.54 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1x0i h VAL 179 CO 0.03 0.01 -0.08 0.58 0.02 0.00 0.00 177.57 178.12 1x0i h VAL 180 N 0.04 0.95 -0.36 2.57 2.07 -1.35 -2.40 116.25 117.76 1x0i h VAL 180 Ca 0.12 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1x0i h VAL 180 Cb 0.18 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1x0i h VAL 180 CO -0.24 0.19 0.20 -0.07 0.02 0.00 0.00 177.57 177.67 1x0i h LEU 181 N -0.68 0.45 -0.71 2.57 3.38 -1.15 -2.79 115.31 116.39 1x0i h LEU 181 Ca -0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1x0i h LEU 181 Cb 0.49 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1x0i h LEU 181 CO 0.04 0.41 0.37 -0.50 0.09 0.00 0.00 178.44 178.85 1x0i h TRP 182 N 0.46 1.00 0.00 1.13 4.06 -0.46 -2.46 115.95 119.67 1x0i h TRP 182 Ca 0.13 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 1x0i h TRP 182 Cb 0.06 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 27.90 1x0i h TRP 182 CO -0.03 0.72 -0.06 0.77 -3.56 0.00 0.00 178.44 176.29 1x0i h SER 183 N 0.98 0.00 0.97 -3.49 0.02 -1.29 -2.55 113.55 108.20 1x0i h SER 183 Ca 0.25 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1x0i h SER 183 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1x0i h SER 183 CO -0.04 0.06 -0.26 0.00 -1.14 0.00 0.00 176.83 175.45 1x0i h ALA 184 N 1.94 0.99 0.72 3.77 0.00 -1.17 -3.33 119.26 122.18 1x0i h ALA 184 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1x0i h ALA 184 Cb 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1x0i h ALA 184 CO 0.01 0.33 -0.35 1.88 0.00 0.00 0.00 179.25 181.12 1x0i h TYR 185 N 0.00 -0.89 -0.55 0.00 -1.99 -1.50 -0.56 116.97 111.47 1x0i h TYR 185 Ca -0.00 -0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.79 1x0i h TYR 185 Cb 0.82 0.30 -0.03 0.00 2.00 0.00 0.00 36.73 39.81 1x0i h TYR 185 CO 0.00 -0.55 0.37 -1.00 -0.00 0.00 0.00 178.16 176.98 1x0i h PRO 186 N -0.99 0.36 0.28 4.88 0.13 -1.75 0.17 132.00 135.08 1x0i h PRO 186 Ca -0.10 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1x0i h PRO 186 Cb 0.75 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1x0i h PRO 186 CO 0.16 0.24 -0.13 0.28 -0.23 0.00 0.00 178.00 178.32 1x0i h VAL 187 N 0.37 0.75 -0.69 1.56 2.07 -1.62 0.42 116.25 119.12 1x0i h VAL 187 Ca 0.25 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.28 1x0i h VAL 187 Cb 0.50 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 1x0i h VAL 187 CO -0.06 0.12 0.32 0.58 0.02 0.00 0.00 177.57 178.54 1x0i h VAL 188 N -0.70 0.80 -0.17 2.57 2.07 -0.68 0.19 116.25 120.33 1x0i h VAL 188 Ca -0.04 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1x0i h VAL 188 Cb 0.48 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1x0i h VAL 188 CO 0.06 0.10 0.01 -0.25 0.02 0.00 0.00 177.57 177.51 1x0i h TRP 189 N 0.53 0.01 -0.11 1.57 7.01 -0.47 0.54 115.95 125.03 1x0i h TRP 189 Ca 0.35 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.33 1x0i h TRP 189 Cb 0.41 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1x0i h TRP 189 CO -0.13 -0.01 -0.06 1.25 -2.79 0.00 0.00 178.44 176.70 1x0i h LEU 190 N 0.07 0.15 -0.63 0.65 5.85 0.15 -2.62 115.31 118.93 1x0i h LEU 190 Ca 0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1x0i h LEU 190 Cb 0.09 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1x0i h LEU 190 CO -0.13 0.23 -0.49 2.30 -0.34 0.00 0.00 178.44 180.01 1x0i n ILE 191 N -4.38 0.00 -1.49 4.05 -5.35 0.51 -0.64 119.36 112.07 1x0i n ILE 191 Ca -0.01 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1x0i n ILE 191 Cb 0.19 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 1x0i n ILE 191 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x0i n GLY 192 N 1.41 0.21 0.22 3.28 0.00 0.14 -1.75 105.19 108.70 1x0i n GLY 192 Ca 0.09 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1x0i n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x0i n SER 193 N -1.99 0.07 -0.00 1.61 3.41 -1.25 -1.18 113.62 114.30 1x0i n SER 193 Ca 0.00 -0.33 0.02 0.00 -0.26 0.00 0.00 58.87 58.30 1x0i n SER 193 Cb 0.00 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1x0i n SER 193 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1x0i n GLU 194 N -0.09 0.18 0.00 4.33 4.07 -1.26 -4.99 120.64 122.89 1x0i n GLU 194 Ca 0.00 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1x0i n GLU 194 Cb 0.02 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 1x0i n GLU 194 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x0i n GLY 195 N 2.23 1.08 3.91 8.31 0.00 -0.32 -4.97 105.19 115.42 1x0i n GLY 195 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1x0i n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x0i s ALA 196 N -2.16 3.67 -1.41 4.61 0.00 0.19 -4.93 121.76 121.73 1x0i s ALA 196 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1x0i s ALA 196 Cb 0.00 -2.24 0.17 0.00 0.00 0.00 0.00 23.12 21.05 1x0i s ALA 196 CO 0.00 0.29 0.95 0.41 0.00 0.00 0.00 175.76 177.42 1x0i n GLY 197 N -0.85 0.83 0.50 0.00 0.00 -1.26 -3.27 105.19 101.14 1x0i n GLY 197 Ca -0.02 -0.20 0.30 0.00 0.00 0.00 0.00 46.02 46.09 1x0i n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x0i h ILE 198 N 0.96 0.22 -3.21 -0.61 2.04 -1.81 -3.38 117.51 111.72 1x0i h ILE 198 Ca 0.00 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.31 1x0i h ILE 198 Cb 0.54 0.32 -0.36 0.00 -0.74 0.00 0.00 36.82 36.57 1x0i h ILE 198 CO 0.06 0.00 -0.81 -0.69 0.00 0.00 0.00 178.15 176.70 1x0i s VAL 199 N -4.65 1.20 0.55 1.67 1.01 -0.72 -5.04 120.40 114.42 1x0i s VAL 199 Ca -0.04 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 1x0i s VAL 199 Cb 0.18 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1x0i s VAL 199 CO 0.61 0.39 1.13 -2.16 0.00 0.00 0.00 175.10 175.07 1x0i s PRO 200 N 1.45 3.33 0.25 2.72 0.04 -1.26 -3.78 135.00 137.76 1x0i s PRO 200 Ca 0.01 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1x0i s PRO 200 Cb -0.13 -2.00 0.36 0.00 0.04 0.00 0.00 34.50 32.76 1x0i s PRO 200 CO -0.07 -0.86 1.51 1.28 0.04 0.00 0.00 177.00 178.91 1x0i n LEU 201 N -1.37 -0.47 -0.13 -3.56 4.32 -1.26 -0.76 117.00 113.79 1x0i n LEU 201 Ca 0.11 1.68 -0.04 0.00 -0.02 0.00 0.00 56.01 57.74 1x0i n LEU 201 Cb 0.51 -0.46 0.03 0.00 -1.62 0.00 0.00 43.42 41.89 1x0i n LEU 201 CO 0.42 -1.57 0.85 -0.55 -1.22 0.00 0.00 177.39 175.32 1x0i h ASN 202 N 0.00 -0.17 -0.00 -1.43 7.08 -1.99 0.22 115.58 119.29 1x0i h ASN 202 Ca 0.41 0.10 -0.09 0.00 -3.08 0.00 0.00 56.30 53.64 1x0i h ASN 202 Cb 0.65 0.17 -0.01 0.00 -2.08 0.00 0.00 38.32 37.05 1x0i h ASN 202 CO -0.99 -0.05 -0.25 0.40 -2.08 0.00 0.00 177.43 174.46 1x0i h ILE 203 N 0.11 1.26 -0.18 6.14 1.08 -1.30 -1.91 117.51 122.71 1x0i h ILE 203 Ca 0.20 -1.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 1x0i h ILE 203 Cb 0.29 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 1x0i h ILE 203 CO -0.34 0.39 0.08 -0.08 -0.69 0.00 0.00 178.15 177.50 1x0i h GLU 204 N 0.37 0.26 -0.38 2.37 4.57 0.34 -0.77 114.58 121.34 1x0i h GLU 204 Ca 0.06 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1x0i h GLU 204 Cb 0.64 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 1x0i h GLU 204 CO 0.05 0.31 0.11 1.15 -1.18 0.00 0.00 179.01 179.45 1x0i h THR 205 N 0.15 0.85 -0.80 0.32 2.02 -0.35 -0.64 112.91 114.45 1x0i h THR 205 Ca 0.06 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1x0i h THR 205 Cb 0.14 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1x0i h THR 205 CO -0.01 0.05 0.52 0.25 0.37 0.00 0.00 175.52 176.70 1x0i h LEU 206 N 0.26 0.86 0.00 2.58 7.12 -1.11 -0.68 115.31 124.35 1x0i h LEU 206 Ca 0.18 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.18 1x0i h LEU 206 Cb 0.18 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1x0i h LEU 206 CO -0.20 0.60 -0.00 -0.07 -0.13 0.00 0.00 178.44 178.64 1x0i h LEU 207 N 1.02 -0.00 -1.36 2.25 3.38 -0.34 -0.75 115.31 119.50 1x0i h LEU 207 Ca 0.31 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1x0i h LEU 207 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1x0i h LEU 207 CO -0.10 0.17 0.23 -0.26 0.09 0.00 0.00 178.44 178.57 1x0i h PHE 208 N -0.18 0.65 -0.57 1.13 0.04 -0.91 -0.09 116.94 117.01 1x0i h PHE 208 Ca -0.00 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1x0i h PHE 208 Cb 0.18 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1x0i h PHE 208 CO -0.02 0.48 0.25 1.98 -0.60 0.00 0.00 178.31 180.41 1x0i h MET 209 N 0.67 0.84 -0.46 1.51 4.05 -0.78 0.61 114.93 121.37 1x0i h MET 209 Ca 0.17 -0.14 -0.13 0.00 -0.28 0.00 0.00 59.70 59.32 1x0i h MET 209 Cb 0.07 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1x0i h MET 209 CO -0.02 0.71 -0.23 0.28 0.23 0.00 0.00 176.91 177.87 1x0i h VAL 210 N 0.79 1.27 0.13 -5.77 2.07 -0.46 -1.79 116.25 112.49 1x0i h VAL 210 Ca 0.19 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1x0i h VAL 210 Cb 0.16 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1x0i h VAL 210 CO -0.02 0.48 -0.06 -0.07 0.02 0.00 0.00 177.57 177.92 1x0i h LEU 211 N 0.82 -0.15 -0.09 2.57 4.07 -0.57 -2.09 115.31 119.88 1x0i h LEU 211 Ca 0.10 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 57.87 1x0i h LEU 211 Cb 0.80 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.53 1x0i h LEU 211 CO 0.07 0.16 -0.22 0.44 -1.08 0.00 0.00 178.44 177.81 1x0i h ASP 212 N -0.46 -0.67 -0.59 -0.43 3.32 0.26 0.44 116.42 118.29 1x0i h ASP 212 Ca -0.02 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1x0i h ASP 212 Cb 0.37 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1x0i h ASP 212 CO 0.03 -0.28 0.36 0.58 -1.72 0.00 0.00 179.24 178.21 1x0i h VAL 213 N -0.30 1.07 -0.28 -1.35 2.07 -1.36 -0.27 116.25 115.83 1x0i h VAL 213 Ca 0.09 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1x0i h VAL 213 Cb 0.43 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1x0i h VAL 213 CO -0.26 0.13 -0.10 0.28 0.02 0.00 0.00 177.57 177.63 1x0i h SER 214 N 0.70 0.57 0.49 0.57 0.02 -1.01 0.17 113.55 115.05 1x0i h SER 214 Ca 0.24 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1x0i h SER 214 Cb 0.02 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1x0i h SER 214 CO -0.10 0.83 -0.08 0.00 -1.14 0.00 0.00 176.83 176.34 1x0i h ALA 215 N 0.76 1.15 0.00 3.77 0.00 0.19 -0.04 119.26 125.09 1x0i h ALA 215 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x0i h ALA 215 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x0i h ALA 215 CO 0.03 0.10 -0.24 1.63 0.00 0.00 0.00 179.25 180.77 1x0i n LYS 216 N -3.39 0.13 -0.05 0.00 5.02 -0.14 -4.26 118.16 115.46 1x0i n LYS 216 Ca -0.01 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1x0i n LYS 216 Cb 0.24 -0.60 -0.07 0.00 -0.02 0.00 0.00 35.03 34.57 1x0i n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x0i h VAL 217 N -0.24 1.34 0.24 -0.18 2.07 -0.90 0.31 116.25 118.89 1x0i h VAL 217 Ca 0.00 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1x0i h VAL 217 Cb 0.24 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1x0i h VAL 217 CO 0.00 0.38 -0.27 1.23 0.02 0.00 0.00 177.57 178.93 1x0i h GLY 218 N -0.01 -0.59 0.58 2.17 0.00 -0.95 0.56 103.07 104.83 1x0i h GLY 218 Ca 0.02 0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.74 1x0i h GLY 218 CO 0.03 -0.24 0.28 -2.75 0.00 0.00 0.00 176.54 173.87 1x0i h PHE 219 N -0.56 0.51 -0.64 5.60 3.04 -1.03 -1.98 116.94 121.89 1x0i h PHE 219 Ca -0.00 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 1x0i h PHE 219 Cb 0.52 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 1x0i h PHE 219 CO -0.19 0.21 0.14 0.78 -2.02 0.00 0.00 178.31 177.23 1x0i h GLY 220 N 0.52 1.10 0.97 2.40 0.00 0.26 -2.00 103.07 106.32 1x0i h GLY 220 Ca 0.28 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1x0i h GLY 220 CO -0.22 0.63 0.10 1.41 0.00 0.00 0.00 176.54 178.46 1x0i h LEU 221 N 0.97 0.17 -0.55 3.11 3.38 0.73 -0.09 115.31 123.03 1x0i h LEU 221 Ca 0.20 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1x0i h LEU 221 Cb 0.36 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1x0i h LEU 221 CO 0.00 0.12 0.35 0.40 0.09 0.00 0.00 178.44 179.40 1x0i h ILE 222 N 0.21 1.10 0.65 1.22 2.04 -1.21 -2.75 117.51 118.77 1x0i h ILE 222 Ca 0.07 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1x0i h ILE 222 Cb -0.01 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1x0i h ILE 222 CO -0.03 0.13 -0.31 0.25 0.00 0.00 0.00 178.15 178.18 1x0i h LEU 223 N 0.70 -0.74 -0.36 1.44 5.85 -0.95 -3.28 115.31 117.97 1x0i h LEU 223 Ca 0.21 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1x0i h LEU 223 Cb -0.03 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1x0i h LEU 223 CO -0.07 -0.40 0.00 0.18 -0.34 0.00 0.00 178.44 177.81 1x0i n LEU 224 N -5.09 0.20 -1.72 2.25 4.77 -0.08 -1.74 117.00 115.59 1x0i n LEU 224 Ca -0.11 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 1x0i n LEU 224 Cb 0.35 -0.57 0.37 0.00 -2.33 0.00 0.00 43.42 41.24 1x0i n LEU 224 CO 0.26 -0.51 0.83 0.54 -1.33 0.00 0.00 177.39 177.19 1x0i n ARG 225 N -1.75 4.23 -4.37 3.23 1.74 -1.04 -4.92 116.66 113.78 1x0i n ARG 225 Ca 0.01 -2.94 -0.26 0.00 -0.77 0.00 0.00 57.85 53.88 1x0i n ARG 225 Cb 0.09 -2.06 -0.10 0.00 -1.02 0.00 0.00 32.46 29.37 1x0i n ARG 225 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x0i s SER 226 N -0.82 3.81 0.00 0.55 1.04 -0.71 -4.99 113.70 112.58 1x0i s SER 226 Ca 0.52 -0.76 0.27 0.00 0.48 0.00 0.00 55.95 56.46 1x0i s SER 226 Cb 0.36 -0.47 1.53 0.00 0.10 0.00 0.00 66.02 67.55 1x0i s SER 226 CO 0.20 0.10 1.99 0.54 0.98 0.00 0.00 173.24 177.06 1x0i n ARG 227 N 0.06 1.10 0.30 4.02 5.12 -1.26 -3.70 116.66 122.29 1x0i n ARG 227 Ca -0.11 -0.15 0.19 0.00 -1.93 0.00 0.00 57.85 55.85 1x0i n ARG 227 Cb 0.56 -1.43 0.89 0.00 -1.16 0.00 0.00 32.46 31.32 1x0i n ARG 227 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0i h ALA 228 N 3.91 1.03 0.00 7.54 0.00 -1.87 -2.50 119.26 127.37 1x0i h ALA 228 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x0i h ALA 228 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1x0i h ALA 228 CO 0.00 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.71 1x0i n ILE 229 N -3.15 0.01 -3.54 0.00 -5.35 -1.24 -4.78 119.36 101.31 1x0i n ILE 229 Ca -0.01 0.00 -0.37 0.00 -0.27 0.00 0.00 62.75 62.11 1x0i n ILE 229 Cb 0.21 -0.51 -0.07 0.00 -1.74 0.00 0.00 39.64 37.53 1x0i n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1x0i s PHE 230 N -2.24 3.49 0.64 4.28 0.08 -0.94 -2.67 117.98 120.62 1x0i s PHE 230 Ca 0.39 0.64 -0.17 0.00 0.12 0.00 0.00 56.93 57.91 1x0i s PHE 230 Cb 0.21 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1x0i s PHE 230 CO 0.40 0.29 0.96 0.41 -0.10 0.00 0.00 175.22 177.18 1x0i n GLY 231 N 3.18 -0.36 0.11 4.36 0.00 -1.26 -4.96 105.19 106.25 1x0i n GLY 231 Ca -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1x0i n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x0i h GLU 232 N 0.23 -0.23 -0.01 1.61 5.08 -1.96 -3.52 114.58 115.77 1x0i h GLU 232 Ca -0.48 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1x0i h GLU 232 Cb 1.36 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1x0i h GLU 232 CO 0.49 -0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.35