#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndy n PRO 5 N 0.00 1.22 0.30 -2.82 -0.04 -1.26 -4.82 135.00 127.58 1ndy n PRO 5 Ca 0.00 0.36 0.19 0.00 -0.04 0.00 0.00 63.50 64.01 1ndy n PRO 5 Cb 0.00 -2.47 0.93 0.00 -0.04 0.00 0.00 33.50 31.92 1ndy n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ndy h ALA 6 N 11.67 1.06 -1.74 0.55 0.00 -1.92 -3.31 119.26 125.56 1ndy h ALA 6 Ca -0.32 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 1ndy h ALA 6 Cb 1.31 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.81 1ndy h ALA 6 CO 1.00 0.03 -0.53 0.12 0.00 0.00 0.00 179.25 179.87 1ndy s PHE 7 N -3.98 -0.97 -0.88 0.00 5.36 -1.26 -4.97 117.98 111.28 1ndy s PHE 7 Ca -0.02 0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.31 1ndy s PHE 7 Cb 0.11 -0.14 0.34 0.00 -0.34 0.00 0.00 43.02 42.99 1ndy s PHE 7 CO 0.49 -0.95 1.85 -3.47 -1.46 0.00 0.00 175.22 171.69 1ndy n ASP 8 N 5.35 7.17 -4.29 6.13 2.03 -1.25 -4.89 116.55 126.80 1ndy n ASP 8 Ca 0.00 -3.77 -0.16 0.00 0.52 0.00 0.00 54.79 51.38 1ndy n ASP 8 Cb 0.49 -1.05 -0.10 0.00 -0.72 0.00 0.00 41.12 39.75 1ndy n ASP 8 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ndy s LYS 9 N -4.11 1.17 0.58 -0.67 -0.14 -1.26 -5.13 119.74 110.18 1ndy s LYS 9 Ca 0.47 -1.52 -0.20 0.00 -1.36 0.00 0.00 55.97 53.36 1ndy s LYS 9 Cb 0.34 -0.79 -0.03 0.00 -1.68 0.00 0.00 37.83 35.67 1ndy s LYS 9 CO -0.29 0.09 1.34 -2.14 -0.76 0.00 0.00 175.35 173.60 1ndy s PRO 10 N -3.72 2.92 0.20 -1.68 0.02 -1.26 -4.90 135.00 126.58 1ndy s PRO 10 Ca 0.20 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.49 1ndy s PRO 10 Cb 0.02 -2.11 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 1ndy s PRO 10 CO 0.03 -1.35 -0.15 0.15 -0.33 0.00 0.00 177.00 175.35 1ndy s LYS 11 N -3.07 1.32 0.03 5.54 1.02 -0.75 -4.96 119.74 118.87 1ndy s LYS 11 Ca 0.76 -1.55 0.08 0.00 0.02 0.00 0.00 55.97 55.27 1ndy s LYS 11 Cb -0.40 -1.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1ndy s LYS 11 CO 0.45 0.21 -0.23 0.14 -0.92 0.00 0.00 175.35 175.00 1ndy s VAL 12 N -2.75 1.82 -0.03 3.17 -7.23 -1.26 -0.75 120.40 113.37 1ndy s VAL 12 Ca 0.21 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1ndy s VAL 12 Cb -0.02 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1ndy s VAL 12 CO 0.07 0.31 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.39 1ndy s GLU 13 N -1.07 0.93 0.00 4.82 2.12 -0.72 -4.79 118.70 119.99 1ndy s GLU 13 Ca 0.09 -0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.24 1ndy s GLU 13 Cb -0.09 -0.88 -0.05 0.00 0.26 0.00 0.00 34.13 33.37 1ndy s GLU 13 CO 0.01 0.04 0.28 1.28 -0.54 0.00 0.00 175.26 176.34 1ndy n LEU 14 N 3.55 0.40 -3.52 2.70 4.77 -1.26 -1.17 117.00 122.47 1ndy n LEU 14 Ca -0.21 -0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 54.93 1ndy n LEU 14 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 1ndy n LEU 14 CO 0.24 0.09 -0.31 -2.28 -1.33 0.00 0.00 177.39 173.81 1ndy s HIS 15 N -1.41 0.87 -0.23 -1.77 2.46 -1.26 -4.66 115.29 109.30 1ndy s HIS 15 Ca 0.03 -1.62 -0.12 0.00 0.47 0.00 0.00 55.06 53.82 1ndy s HIS 15 Cb 0.04 -1.08 0.07 0.00 -0.13 0.00 0.00 32.58 31.48 1ndy s HIS 15 CO 0.21 -0.83 0.55 0.54 -2.47 0.00 0.00 174.74 172.75 1ndy s VAL 16 N 1.16 -0.10 -0.01 0.89 0.11 -1.26 -2.14 120.40 119.06 1ndy s VAL 16 Ca 0.16 0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 59.08 1ndy s VAL 16 Cb -0.22 -0.82 -0.06 0.00 -1.53 0.00 0.00 36.38 33.76 1ndy s VAL 16 CO -0.06 0.02 0.49 -1.00 -3.33 0.00 0.00 175.10 171.22 1ndy s HIS 17 N 1.66 3.69 0.17 1.54 3.76 0.03 -1.46 115.29 124.67 1ndy s HIS 17 Ca -0.09 1.07 -0.15 0.00 -0.15 0.00 0.00 55.06 55.74 1ndy s HIS 17 Cb -0.07 -2.45 0.08 0.00 1.11 0.00 0.00 32.58 31.25 1ndy s HIS 17 CO -0.17 0.48 1.79 1.25 -0.85 0.00 0.00 174.74 177.24 1ndy h LEU 18 N 5.27 0.37 -0.57 0.89 5.85 -0.76 0.19 115.31 126.54 1ndy h LEU 18 Ca -0.48 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1ndy h LEU 18 Cb 1.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ndy h LEU 18 CO 0.66 0.26 0.00 -0.90 -0.34 0.00 0.00 178.44 178.12 1ndy n ASP 19 N -4.88 0.39 -1.36 1.25 3.85 -1.26 -1.39 116.55 113.15 1ndy n ASP 19 Ca 0.03 0.62 -0.01 0.00 -0.71 0.00 0.00 54.79 54.71 1ndy n ASP 19 Cb 0.09 -0.69 0.25 0.00 -1.35 0.00 0.00 41.12 39.42 1ndy n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ndy n GLY 20 N -0.44 4.24 2.59 6.12 0.00 0.03 -4.70 105.19 113.02 1ndy n GLY 20 Ca 0.02 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1ndy n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndy n ALA 21 N -0.65 2.39 -2.55 4.61 0.00 -0.48 -1.54 120.51 122.29 1ndy n ALA 21 Ca 0.33 -2.66 -0.32 0.00 0.00 0.00 0.00 53.44 50.79 1ndy n ALA 21 Cb 1.12 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 19.45 1ndy n ALA 21 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ndy s ILE 22 N -2.03 2.39 0.22 0.00 1.01 -1.25 -4.69 121.20 116.84 1ndy s ILE 22 Ca 0.28 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 1ndy s ILE 22 Cb 0.42 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 1ndy s ILE 22 CO -0.02 0.58 1.31 -0.54 0.00 0.00 0.00 174.94 176.27 1ndy s LYS 23 N -0.43 4.38 0.19 2.79 1.02 -1.26 -4.82 119.74 121.62 1ndy s LYS 23 Ca 0.04 2.08 -0.13 0.00 0.02 0.00 0.00 55.97 57.98 1ndy s LYS 23 Cb -0.12 -3.18 0.20 0.00 -0.52 0.00 0.00 37.83 34.22 1ndy s LYS 23 CO 0.01 -0.25 1.67 -1.35 -0.92 0.00 0.00 175.35 174.52 1ndy h PRO 24 N 5.11 0.09 -0.81 -1.68 0.11 -1.99 -0.60 132.00 132.23 1ndy h PRO 24 Ca -0.45 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.80 1ndy h PRO 24 Cb 1.22 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1ndy h PRO 24 CO 0.76 0.06 0.53 1.05 -0.21 0.00 0.00 178.00 180.19 1ndy h GLU 25 N 0.10 0.50 -0.03 1.05 9.09 -1.91 -0.19 114.58 123.19 1ndy h GLU 25 Ca 0.26 -0.03 -0.16 0.00 0.05 0.00 0.00 59.36 59.48 1ndy h GLU 25 Cb 0.40 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 1ndy h GLU 25 CO -0.45 0.33 -0.69 0.00 0.05 0.00 0.00 179.01 178.25 1ndy h THR 26 N 0.52 1.44 -0.50 -1.06 1.03 -1.52 0.88 112.91 113.71 1ndy h THR 26 Ca 0.40 -2.24 0.06 0.00 -0.01 0.00 0.00 66.41 64.62 1ndy h THR 26 Cb 0.80 2.19 -0.05 0.00 -1.07 0.00 0.00 68.15 70.02 1ndy h THR 26 CO -0.15 0.65 0.19 0.40 -0.01 0.00 0.00 175.52 176.61 1ndy h ILE 27 N 0.11 0.86 -0.21 0.00 2.04 -0.46 -2.71 117.51 117.13 1ndy h ILE 27 Ca -0.02 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1ndy h ILE 27 Cb 1.24 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1ndy h ILE 27 CO 0.10 0.07 -0.10 0.25 0.00 0.00 0.00 178.15 178.47 1ndy h LEU 28 N 0.38 0.46 -0.81 1.44 7.12 -0.85 -0.84 115.31 122.22 1ndy h LEU 28 Ca 0.23 -0.41 0.13 0.00 0.13 0.00 0.00 57.88 57.96 1ndy h LEU 28 Cb 0.23 -0.13 -0.14 0.00 -0.53 0.00 0.00 40.66 40.09 1ndy h LEU 28 CO -0.22 0.77 -0.37 0.22 -0.13 0.00 0.00 178.44 178.71 1ndy h TYR 29 N 0.15 -1.02 0.00 1.25 5.03 -0.78 0.93 116.97 122.53 1ndy h TYR 29 Ca 0.05 0.09 -0.10 0.00 2.58 0.00 0.00 58.73 61.34 1ndy h TYR 29 Cb 0.60 0.57 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 1ndy h TYR 29 CO 0.06 -0.39 -0.50 1.88 -1.32 0.00 0.00 178.16 177.89 1ndy h TYR 30 N -0.08 0.00 0.64 -3.82 0.05 -1.40 -2.02 116.97 110.34 1ndy h TYR 30 Ca 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.05 1ndy h TYR 30 Cb 0.58 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 1ndy h TYR 30 CO -0.77 0.50 -0.46 0.78 -1.05 0.00 0.00 178.16 177.16 1ndy h GLY 31 N 3.38 -1.26 0.78 3.88 0.00 -0.89 0.82 103.07 109.80 1ndy h GLY 31 Ca -0.00 0.54 0.04 0.00 0.00 0.00 0.00 47.33 47.90 1ndy h GLY 31 CO 0.06 -0.41 0.29 1.70 0.00 0.00 0.00 176.54 178.19 1ndy h LYS 32 N -1.05 0.55 -0.20 4.80 1.63 -0.84 0.42 116.57 121.87 1ndy h LYS 32 Ca -0.08 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1ndy h LYS 32 Cb 0.86 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1ndy h LYS 32 CO 0.04 0.36 0.07 -0.09 -3.45 0.00 0.00 179.45 176.38 1ndy h ARG 33 N 0.56 0.27 -0.00 1.90 2.43 -1.32 -3.21 114.38 115.01 1ndy h ARG 33 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1ndy h ARG 33 Cb 0.09 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1ndy h ARG 33 CO -0.13 0.24 -0.33 0.54 -1.51 0.00 0.00 179.97 178.78 1ndy n ARG 34 N -4.44 2.61 -1.74 0.20 1.74 0.28 -5.01 116.66 110.30 1ndy n ARG 34 Ca -0.00 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1ndy n ARG 34 Cb 0.13 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1ndy n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndy n GLY 35 N 1.05 0.61 0.05 -0.13 0.00 0.14 -5.01 105.19 101.90 1ndy n GLY 35 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 1ndy n GLY 35 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ndy n ILE 36 N -1.18 0.63 -1.79 -0.61 -6.64 -0.59 -5.03 119.36 104.16 1ndy n ILE 36 Ca 0.00 -0.47 0.00 0.00 -1.77 0.00 0.00 62.75 60.51 1ndy n ILE 36 Cb 0.40 -0.43 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 1ndy n ILE 36 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ndy n ALA 37 N -2.33 -2.04 -2.57 -1.28 0.00 -1.26 -5.06 120.51 105.96 1ndy n ALA 37 Ca -0.16 0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1ndy n ALA 37 Cb 0.76 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 1ndy n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ndy s LEU 38 N -2.29 1.87 0.43 0.00 1.43 -1.26 -5.02 118.68 113.84 1ndy s LEU 38 Ca 0.00 -0.64 0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1ndy s LEU 38 Cb 0.00 0.60 1.11 0.00 0.03 0.00 0.00 46.19 47.92 1ndy s LEU 38 CO 0.00 -0.56 1.88 1.55 0.23 0.00 0.00 176.35 179.45 1ndy h PRO 39 N 3.41 0.36 0.00 1.29 0.13 -1.97 -3.41 132.00 131.80 1ndy h PRO 39 Ca -0.33 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1ndy h PRO 39 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ndy h PRO 39 CO 0.54 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 1ndy n ALA 40 N -2.53 0.00 -0.50 -0.56 0.00 -1.26 -5.01 120.51 110.64 1ndy n ALA 40 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.62 1ndy n ALA 40 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.12 1ndy n ALA 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ndy n ASP 41 N -1.28 1.25 -4.88 0.00 2.03 -1.26 -4.91 116.55 107.49 1ndy n ASP 41 Ca 0.00 -1.73 -0.21 0.00 0.52 0.00 0.00 54.79 53.37 1ndy n ASP 41 Cb 0.00 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 1ndy n ASP 41 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ndy s THR 42 N -0.74 3.96 0.03 5.18 -1.32 -1.26 -5.00 115.64 116.49 1ndy s THR 42 Ca 0.02 -1.27 -0.27 0.00 -1.21 0.00 0.00 61.69 58.96 1ndy s THR 42 Cb 0.02 -3.33 -0.17 0.00 -1.51 0.00 0.00 72.50 67.51 1ndy s THR 42 CO 0.00 -0.22 1.35 -0.65 -2.21 0.00 0.00 174.62 172.89 1ndy h PRO 43 N 1.22 -0.57 -0.93 7.08 0.11 -1.97 -2.24 132.00 134.70 1ndy h PRO 43 Ca -0.46 0.04 0.19 0.00 0.11 0.00 0.00 66.00 65.88 1ndy h PRO 43 Cb 1.25 0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.41 1ndy h PRO 43 CO 0.58 -0.28 0.60 1.05 -0.21 0.00 0.00 178.00 179.74 1ndy h GLU 44 N -0.82 0.52 -0.11 1.05 9.09 -1.98 0.31 114.58 122.63 1ndy h GLU 44 Ca -0.06 -0.03 -0.18 0.00 0.05 0.00 0.00 59.36 59.14 1ndy h GLU 44 Cb 0.55 -0.12 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 1ndy h GLU 44 CO 0.10 0.34 -0.62 1.49 0.05 0.00 0.00 179.01 180.37 1ndy h GLU 45 N 0.53 0.62 -0.18 1.06 4.22 -1.93 -1.48 114.58 117.43 1ndy h GLU 45 Ca 0.49 -0.52 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1ndy h GLU 45 Cb 1.04 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1ndy h GLU 45 CO -0.23 1.14 -0.04 1.25 -2.18 0.00 0.00 179.01 178.96 1ndy h LEU 46 N 0.27 -0.15 -0.84 1.64 6.46 -0.94 -0.10 115.31 121.65 1ndy h LEU 46 Ca -0.05 0.05 0.21 0.00 -0.12 0.00 0.00 57.88 57.97 1ndy h LEU 46 Cb 1.26 0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 41.17 1ndy h LEU 46 CO 0.13 -0.05 0.26 -0.61 -0.62 0.00 0.00 178.44 177.55 1ndy h GLN 47 N 0.01 0.27 -0.31 1.25 5.75 -0.43 0.15 115.11 121.80 1ndy h GLN 47 Ca 0.09 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.45 1ndy h GLN 47 Cb 0.13 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1ndy h GLN 47 CO -0.18 0.18 -0.31 -0.91 -2.65 0.00 0.00 178.83 174.96 1ndy h ASN 48 N 0.28 0.68 -0.23 -0.69 -0.26 -0.10 0.12 115.58 115.38 1ndy h ASN 48 Ca 0.51 -0.27 -0.04 0.00 -0.56 0.00 0.00 56.30 55.95 1ndy h ASN 48 Cb 0.98 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.04 1ndy h ASN 48 CO -0.58 0.95 0.00 0.40 -1.06 0.00 0.00 177.43 177.14 1ndy h ILE 49 N 0.56 1.25 -0.48 2.81 2.04 -0.46 -3.28 117.51 119.95 1ndy h ILE 49 Ca 0.06 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 1ndy h ILE 49 Cb 0.82 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1ndy h ILE 49 CO 0.07 0.27 0.00 0.40 0.00 0.00 0.00 178.15 178.89 1ndy h ILE 50 N 0.17 1.24 -4.38 -0.67 2.04 -0.68 -3.45 117.51 111.78 1ndy h ILE 50 Ca 0.07 -0.99 -0.49 0.00 1.00 0.00 0.00 64.86 64.44 1ndy h ILE 50 Cb 0.40 0.87 0.09 0.00 -0.74 0.00 0.00 36.82 37.45 1ndy h ILE 50 CO 0.01 0.35 0.38 -0.83 0.00 0.00 0.00 178.15 178.06 1ndy s GLY 51 N -3.72 1.63 0.08 5.37 0.00 0.42 -4.70 107.32 106.39 1ndy s GLY 51 Ca -0.09 -0.26 0.10 0.00 0.00 0.00 0.00 44.72 44.46 1ndy s GLY 51 CO 0.81 0.13 -0.26 1.06 0.00 0.00 0.00 173.10 174.84 1ndy s MET 52 N -5.25 1.67 -0.01 2.90 -1.94 -0.45 -4.95 119.30 111.27 1ndy s MET 52 Ca 0.59 -1.19 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1ndy s MET 52 Cb -0.13 -1.96 0.02 0.00 2.01 0.00 0.00 34.83 34.77 1ndy s MET 52 CO 0.53 0.49 0.80 -0.40 -0.01 0.00 0.00 175.02 176.43 1ndy n ASP 53 N 1.46 1.08 -3.75 3.03 5.68 -1.26 -4.79 116.55 118.01 1ndy n ASP 53 Ca -0.17 -1.65 -0.13 0.00 -0.50 0.00 0.00 54.79 52.34 1ndy n ASP 53 Cb 0.52 -0.04 -0.11 0.00 -1.14 0.00 0.00 41.12 40.36 1ndy n ASP 53 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1ndy s LYS 54 N -0.64 0.41 0.77 0.11 2.20 -1.26 -5.03 119.74 116.29 1ndy s LYS 54 Ca 0.02 0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 56.00 1ndy s LYS 54 Cb 0.02 0.17 0.04 0.00 -1.51 0.00 0.00 37.83 36.55 1ndy s LYS 54 CO 0.00 -0.06 1.06 -2.30 -0.36 0.00 0.00 175.35 173.69 1ndy n PRO 55 N 3.04 0.35 -4.03 4.03 -0.02 -0.82 -4.89 135.00 132.66 1ndy n PRO 55 Ca -0.14 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.42 1ndy n PRO 55 Cb 0.57 -2.32 -0.11 0.00 -0.02 0.00 0.00 33.50 31.62 1ndy n PRO 55 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ndy s LEU 56 N -4.24 2.29 0.92 2.45 1.43 -1.26 -5.02 118.68 115.25 1ndy s LEU 56 Ca 0.73 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1ndy s LEU 56 Cb -0.31 0.02 0.05 0.00 0.03 0.00 0.00 46.19 45.98 1ndy s LEU 56 CO 0.51 -0.31 0.60 1.07 0.23 0.00 0.00 176.35 178.44 1ndy n THR 57 N 1.31 0.24 -0.16 5.49 5.66 -1.26 -4.77 114.28 120.77 1ndy n THR 57 Ca -0.22 -0.17 -0.03 0.00 -3.05 0.00 0.00 64.05 60.58 1ndy n THR 57 Cb 0.56 -0.73 0.03 0.00 -1.55 0.00 0.00 70.33 68.64 1ndy n THR 57 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1ndy h LEU 58 N -1.51 -0.58 -1.49 1.09 5.85 -1.99 -0.04 115.31 116.65 1ndy h LEU 58 Ca -0.44 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1ndy h LEU 58 Cb 1.28 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1ndy h LEU 58 CO 0.37 -0.20 -0.09 -0.65 -0.34 0.00 0.00 178.44 177.53 1ndy h PRO 59 N -0.04 0.22 0.00 5.25 0.11 -1.99 -0.79 132.00 134.75 1ndy h PRO 59 Ca 0.24 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 1ndy h PRO 59 Cb 0.41 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1ndy h PRO 59 CO -0.55 0.32 -0.56 -0.44 -0.21 0.00 0.00 178.00 176.57 1ndy h ASP 60 N 0.21 0.00 0.04 -2.05 3.32 -1.84 0.60 116.42 116.71 1ndy h ASP 60 Ca 0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ndy h ASP 60 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ndy h ASP 60 CO 0.02 0.56 -0.02 0.15 -1.72 0.00 0.00 179.24 178.23 1ndy h PHE 61 N 0.00 -0.06 0.00 4.55 3.57 0.32 -3.27 116.94 122.05 1ndy h PHE 61 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ndy h PHE 61 Cb 1.25 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1ndy h PHE 61 CO 0.00 0.49 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.40 1ndy h LEU 62 N -0.64 0.00 -1.32 0.59 3.38 -1.20 -2.41 115.31 113.71 1ndy h LEU 62 Ca -0.01 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1ndy h LEU 62 Cb 0.57 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1ndy h LEU 62 CO 0.01 0.10 0.65 0.00 0.09 0.00 0.00 178.44 179.29 1ndy h ALA 63 N 1.90 2.15 -0.73 1.53 0.00 -0.92 -1.33 119.26 121.86 1ndy h ALA 63 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ndy h ALA 63 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ndy h ALA 63 CO 0.01 -0.55 0.24 0.87 0.00 0.00 0.00 179.25 179.83 1ndy h LYS 64 N 0.44 1.13 -0.59 0.00 1.57 -1.50 -1.36 116.57 116.25 1ndy h LYS 64 Ca 0.59 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1ndy h LYS 64 Cb 1.41 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 1ndy h LYS 64 CO -0.31 0.95 0.38 0.74 -0.57 0.00 0.00 179.45 180.64 1ndy h PHE 65 N 1.09 0.76 -0.41 -1.35 -1.00 -1.40 -2.35 116.94 112.27 1ndy h PHE 65 Ca 0.24 0.01 0.12 0.00 2.81 0.00 0.00 57.97 61.15 1ndy h PHE 65 Cb 0.28 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 1ndy h PHE 65 CO 0.02 0.49 0.62 -0.44 -1.61 0.00 0.00 178.31 177.39 1ndy h ASP 66 N 0.80 0.00 0.36 2.17 3.32 -0.54 -1.73 116.42 120.80 1ndy h ASP 66 Ca 0.21 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.94 1ndy h ASP 66 Cb -0.06 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.51 1ndy h ASP 66 CO -0.04 0.00 -1.46 1.88 -1.72 0.00 0.00 179.24 177.90 1ndy h TYR 67 N 0.00 0.81 0.00 4.55 0.99 -0.71 -3.43 116.97 119.18 1ndy h TYR 67 Ca 0.20 -0.59 -0.39 0.00 2.00 0.00 0.00 58.73 59.94 1ndy h TYR 67 Cb 1.43 -0.03 -0.07 0.00 1.00 0.00 0.00 36.73 39.06 1ndy h TYR 67 CO 0.00 1.50 -2.47 2.48 -0.00 0.00 0.00 178.16 179.67 1ndy n TYR 68 N -3.64 0.01 -0.33 4.88 0.18 -1.00 -4.34 117.16 112.91 1ndy n TYR 68 Ca -0.16 0.00 0.19 0.00 1.88 0.00 0.00 57.90 59.81 1ndy n TYR 68 Cb 1.08 -1.00 0.43 0.00 -0.38 0.00 0.00 39.34 39.47 1ndy n TYR 68 CO 0.00 0.00 0.00 0.52 -2.08 0.00 0.00 176.86 175.30 1ndy h MET 69 N 0.00 0.52 0.00 -3.48 2.86 -1.59 0.11 114.93 113.35 1ndy h MET 69 Ca -0.58 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.03 1ndy h MET 69 Cb 1.94 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 33.48 1ndy h MET 69 CO -0.08 0.35 -0.01 -1.35 1.06 0.00 0.00 176.91 176.88 1ndy h PRO 70 N 0.54 0.00 0.00 -0.22 0.11 -1.77 0.21 132.00 130.87 1ndy h PRO 70 Ca 0.59 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.65 1ndy h PRO 70 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1ndy h PRO 70 CO -0.35 0.01 -0.23 0.00 -0.21 0.00 0.00 178.00 177.23 1ndy h ALA 71 N 1.99 1.51 0.00 -0.75 0.00 -1.01 -3.38 119.26 117.62 1ndy h ALA 71 Ca -0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 1ndy h ALA 71 Cb 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1ndy h ALA 71 CO 0.00 0.28 -2.15 -0.89 0.00 0.00 0.00 179.25 176.50 1ndy n ILE 72 N -4.11 1.13 -1.60 0.00 2.08 0.02 -4.56 119.36 112.33 1ndy n ILE 72 Ca -0.02 -0.33 -0.43 0.00 0.56 0.00 0.00 62.75 62.53 1ndy n ILE 72 Cb 0.29 -1.62 -0.01 0.00 -0.75 0.00 0.00 39.64 37.56 1ndy n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ndy n ALA 73 N -3.69 -0.02 -0.89 -1.39 0.00 0.54 -2.47 120.51 112.59 1ndy n ALA 73 Ca -0.39 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ndy n ALA 73 Cb 0.81 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1ndy n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ndy n GLY 74 N 1.18 0.60 3.05 0.00 0.00 -0.08 -4.88 105.19 105.07 1ndy n GLY 74 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1ndy n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndy n ARG 76 N 4.38 -0.12 0.13 0.00 1.74 -1.26 -1.08 116.66 120.46 1ndy n ARG 76 Ca -0.09 1.45 -0.01 0.00 -0.77 0.00 0.00 57.85 58.43 1ndy n ARG 76 Cb 0.42 -2.17 0.14 0.00 -1.02 0.00 0.00 32.46 29.84 1ndy n ARG 76 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1ndy h ASP 77 N 0.00 0.00 -0.66 0.55 -0.00 -1.95 -2.11 116.42 112.25 1ndy h ASP 77 Ca 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 57.39 1ndy h ASP 77 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.96 1ndy h ASP 77 CO -0.95 0.65 0.16 0.00 -0.00 0.00 0.00 179.24 179.10 1ndy h ALA 78 N 1.35 0.87 0.06 -0.78 0.00 -1.41 -1.13 119.26 118.22 1ndy h ALA 78 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ndy h ALA 78 Cb 1.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ndy h ALA 78 CO 0.08 0.59 -0.10 0.82 0.00 0.00 0.00 179.25 180.65 1ndy h ILE 79 N 0.99 0.77 -0.51 0.00 1.08 -1.05 -0.19 117.51 118.60 1ndy h ILE 79 Ca 0.21 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.66 1ndy h ILE 79 Cb 0.36 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1ndy h ILE 79 CO 0.00 0.00 0.23 0.50 -0.69 0.00 0.00 178.15 178.19 1ndy h LYS 80 N -0.20 0.74 -0.59 2.37 3.64 -1.41 -2.66 116.57 118.47 1ndy h LYS 80 Ca 0.02 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1ndy h LYS 80 Cb 0.21 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1ndy h LYS 80 CO -0.06 0.63 0.33 -0.09 -2.27 0.00 0.00 179.45 177.99 1ndy h ARG 81 N 0.68 0.82 -0.98 1.90 2.43 -0.94 -1.21 114.38 117.08 1ndy h ARG 81 Ca 0.17 -0.09 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1ndy h ARG 81 Cb 0.14 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.45 1ndy h ARG 81 CO -0.02 0.62 0.62 -0.84 -1.51 0.00 0.00 179.97 178.85 1ndy h ILE 82 N 0.80 0.95 -0.18 1.20 3.07 -0.87 -0.26 117.51 122.21 1ndy h ILE 82 Ca 0.21 -0.34 -0.01 0.00 1.55 0.00 0.00 64.86 66.27 1ndy h ILE 82 Cb 0.04 -0.12 -0.01 0.00 -0.27 0.00 0.00 36.82 36.46 1ndy h ILE 82 CO -0.03 0.18 0.08 0.00 -1.05 0.00 0.00 178.15 177.33 1ndy h ALA 83 N 1.53 0.24 -0.08 0.16 0.00 -1.11 -0.07 119.26 119.94 1ndy h ALA 83 Ca 0.47 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1ndy h ALA 83 Cb 0.44 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1ndy h ALA 83 CO -0.23 -0.19 -0.20 -0.92 0.00 0.00 0.00 179.25 177.72 1ndy h TYR 84 N 0.16 -0.51 0.00 0.00 3.20 -0.66 -2.87 116.97 116.29 1ndy h TYR 84 Ca 0.06 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1ndy h TYR 84 Cb 0.14 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1ndy h TYR 84 CO -0.02 -0.28 -0.33 0.93 -1.64 0.00 0.00 178.16 176.83 1ndy h GLU 85 N -0.27 0.00 -0.57 1.82 5.08 -1.05 -2.28 114.58 117.30 1ndy h GLU 85 Ca 0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1ndy h GLU 85 Cb 0.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1ndy h GLU 85 CO -0.24 0.33 0.29 0.35 -1.00 0.00 0.00 179.01 178.74 1ndy h PHE 86 N 0.00 0.53 -0.51 4.33 3.04 -0.90 -1.17 116.94 122.26 1ndy h PHE 86 Ca -0.00 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 1ndy h PHE 86 Cb 0.73 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1ndy h PHE 86 CO 0.00 0.25 0.24 0.28 -2.02 0.00 0.00 178.31 177.06 1ndy h VAL 87 N 0.55 1.20 -0.59 1.41 2.07 -1.20 -2.26 116.25 117.43 1ndy h VAL 87 Ca 0.26 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1ndy h VAL 87 Cb 0.18 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 1ndy h VAL 87 CO -0.18 0.22 0.11 -0.08 0.02 0.00 0.00 177.57 177.65 1ndy h GLU 88 N 0.68 0.23 -0.78 1.57 4.81 -1.25 -0.26 114.58 119.57 1ndy h GLU 88 Ca 0.18 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1ndy h GLU 88 Cb 0.13 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1ndy h GLU 88 CO -0.02 0.15 0.46 0.52 -0.73 0.00 0.00 179.01 179.39 1ndy h MET 89 N 0.23 0.80 -0.15 1.92 2.86 -0.86 -2.43 114.93 117.30 1ndy h MET 89 Ca 0.31 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.84 1ndy h MET 89 Cb 0.46 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1ndy h MET 89 CO -0.41 0.53 -0.18 0.87 1.06 0.00 0.00 176.91 178.78 1ndy h LYS 90 N 0.82 0.25 -0.57 1.72 1.79 -0.88 -1.76 116.57 117.94 1ndy h LYS 90 Ca 0.36 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1ndy h LYS 90 Cb 0.23 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 1ndy h LYS 90 CO -0.20 0.43 0.36 0.00 -1.08 0.00 0.00 179.45 178.96 1ndy h ALA 91 N 1.59 0.72 0.00 3.86 0.00 -0.63 -2.19 119.26 122.61 1ndy h ALA 91 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ndy h ALA 91 Cb 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ndy h ALA 91 CO 0.03 0.19 -0.15 0.87 0.00 0.00 0.00 179.25 180.19 1ndy h LYS 92 N 0.77 0.00 0.00 0.00 1.79 -0.94 -1.43 116.57 116.76 1ndy h LYS 92 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1ndy h LYS 92 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1ndy h LYS 92 CO -0.04 0.15 0.00 -0.25 -1.08 0.00 0.00 179.45 178.23 1ndy n ASP 93 N -3.52 0.00 -0.77 0.86 10.43 -0.72 -4.91 116.55 117.91 1ndy n ASP 93 Ca -0.01 -0.88 -0.10 0.00 2.57 0.00 0.00 54.79 56.37 1ndy n ASP 93 Cb 0.30 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.22 1ndy n ASP 93 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ndy n GLY 94 N 0.61 1.15 3.72 0.44 0.00 -0.54 -4.83 105.19 105.74 1ndy n GLY 94 Ca 0.18 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1ndy n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ndy s VAL 95 N -2.37 4.01 -0.41 1.61 1.01 -0.98 -1.81 120.40 121.47 1ndy s VAL 95 Ca 0.00 1.54 0.16 0.00 0.00 0.00 0.00 61.98 63.68 1ndy s VAL 95 Cb 0.00 -3.99 -0.21 0.00 0.00 0.00 0.00 36.38 32.19 1ndy s VAL 95 CO 0.00 0.17 0.52 1.33 0.00 0.00 0.00 175.10 177.12 1ndy n VAL 96 N 3.34 0.00 -3.74 2.92 0.24 0.07 -4.66 118.33 116.50 1ndy n VAL 96 Ca 0.06 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 1ndy n VAL 96 Cb 0.47 0.60 -0.12 0.00 -1.47 0.00 0.00 33.84 33.32 1ndy n VAL 96 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1ndy s TYR 97 N -2.76 -0.37 -0.01 6.34 5.04 -1.23 -1.33 117.35 123.03 1ndy s TYR 97 Ca 0.00 0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 55.49 1ndy s TYR 97 Cb 0.11 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1ndy s TYR 97 CO 0.65 -0.22 0.02 0.54 -1.34 0.00 0.00 175.55 175.20 1ndy s VAL 98 N 0.85 0.01 -0.20 3.14 0.11 -0.76 -1.76 120.40 121.79 1ndy s VAL 98 Ca -0.06 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.89 1ndy s VAL 98 Cb -0.07 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1ndy s VAL 98 CO -0.06 -0.03 -0.01 -1.61 -3.33 0.00 0.00 175.10 170.06 1ndy s GLU 99 N -0.08 3.57 -0.08 1.54 2.02 -0.31 -1.63 118.70 123.74 1ndy s GLU 99 Ca -0.01 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.45 1ndy s GLU 99 Cb -0.01 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1ndy s GLU 99 CO -0.00 -0.03 -0.09 0.54 0.02 0.00 0.00 175.26 175.71 1ndy s VAL 100 N 1.09 3.54 0.16 2.63 0.11 -0.23 -4.17 120.40 123.52 1ndy s VAL 100 Ca 0.02 -0.53 0.08 0.00 -2.93 0.00 0.00 61.98 58.62 1ndy s VAL 100 Cb -0.14 -2.45 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 1ndy s VAL 100 CO 0.01 0.58 -0.18 0.00 -3.33 0.00 0.00 175.10 172.18 1ndy s ARG 101 N -0.61 1.25 0.02 1.54 1.70 -0.54 -0.71 118.95 121.61 1ndy s ARG 101 Ca 0.09 -1.38 -0.29 0.00 -0.47 0.00 0.00 55.73 53.68 1ndy s ARG 101 Cb -0.12 -1.32 0.10 0.00 -0.57 0.00 0.00 34.95 33.04 1ndy s ARG 101 CO 0.02 0.27 1.00 1.52 -1.08 0.00 0.00 175.30 177.02 1ndy s TYR 102 N -1.97 -0.22 -0.28 5.89 -0.85 -0.58 -0.01 117.35 119.33 1ndy s TYR 102 Ca 0.15 0.04 -0.17 0.00 -0.52 0.00 0.00 57.07 56.57 1ndy s TYR 102 Cb -0.06 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1ndy s TYR 102 CO 0.06 -0.56 0.48 0.45 -1.52 0.00 0.00 175.55 174.46 1ndy s SER 103 N -2.65 6.36 0.39 -0.18 0.15 -1.26 -1.10 113.70 115.41 1ndy s SER 103 Ca 0.09 0.34 0.11 0.00 0.70 0.00 0.00 55.95 57.19 1ndy s SER 103 Cb -0.00 -2.26 0.80 0.00 -1.71 0.00 0.00 66.02 62.85 1ndy s SER 103 CO -0.04 -0.30 1.90 1.55 1.20 0.00 0.00 173.24 177.55 1ndy h PRO 104 N 8.16 0.13 -0.46 5.44 0.13 -1.91 -2.39 132.00 141.09 1ndy h PRO 104 Ca -0.29 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1ndy h PRO 104 Cb 1.14 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1ndy h PRO 104 CO 0.71 0.34 0.31 0.45 -0.23 0.00 0.00 178.00 179.58 1ndy h HIS 105 N 0.12 0.55 0.00 1.56 3.86 -1.91 -2.93 115.15 116.41 1ndy h HIS 105 Ca 0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1ndy h HIS 105 Cb 0.45 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1ndy h HIS 105 CO 0.00 0.34 0.00 1.28 0.86 0.00 0.00 177.93 180.41 1ndy n LEU 106 N -4.47 0.00 -0.15 2.43 4.77 -0.90 -2.00 117.00 116.69 1ndy n LEU 106 Ca 0.04 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1ndy n LEU 106 Cb 0.09 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1ndy n LEU 106 CO 0.35 -0.16 0.44 0.18 -1.33 0.00 0.00 177.39 176.87 1ndy n LEU 107 N -1.33 1.86 -4.88 2.23 4.77 -1.11 -4.79 117.00 113.75 1ndy n LEU 107 Ca 0.07 -1.61 -0.22 0.00 -0.03 0.00 0.00 56.01 54.22 1ndy n LEU 107 Cb 0.14 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1ndy n LEU 107 CO 0.12 0.45 -0.12 0.00 -1.33 0.00 0.00 177.39 176.52 1ndy s ALA 108 N -0.71 3.72 -0.02 -1.18 0.00 -0.85 -0.90 121.76 121.82 1ndy s ALA 108 Ca 0.05 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1ndy s ALA 108 Cb 0.03 -1.46 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1ndy s ALA 108 CO 0.04 0.24 0.86 0.27 0.00 0.00 0.00 175.76 177.17 1ndy n ASN 109 N -1.27 0.87 -3.60 0.00 0.23 -0.44 -4.47 115.26 106.57 1ndy n ASN 109 Ca -0.08 -1.86 -0.11 0.00 -0.53 0.00 0.00 54.58 52.00 1ndy n ASN 109 Cb 0.58 -0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 1ndy n ASN 109 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ndy s SER 110 N -1.01 -0.35 -1.59 0.53 1.04 -0.50 -1.65 113.70 110.17 1ndy s SER 110 Ca 0.06 -0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 1ndy s SER 110 Cb 0.05 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.81 1ndy s SER 110 CO 0.01 -0.96 0.57 0.29 0.98 0.00 0.00 173.24 174.12 1ndy n LYS 111 N -0.32 -2.90 -3.69 4.02 5.02 -1.26 -3.98 118.16 115.04 1ndy n LYS 111 Ca -0.14 0.35 -0.11 0.00 -2.02 0.00 0.00 58.31 56.38 1ndy n LYS 111 Cb 0.64 -4.73 -0.12 0.00 -0.02 0.00 0.00 35.03 30.80 1ndy n LYS 111 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ndy s VAL 112 N -3.64 -0.20 -0.01 -0.18 0.11 -1.26 -4.70 120.40 110.51 1ndy s VAL 112 Ca 0.41 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1ndy s VAL 112 Cb -0.22 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1ndy s VAL 112 CO 0.92 0.06 -0.03 -0.70 -3.33 0.00 0.00 175.10 172.03 1ndy s GLU 113 N 1.75 0.36 0.39 1.54 -6.30 -1.26 -2.66 118.70 112.51 1ndy s GLU 113 Ca -0.06 -0.08 -0.27 0.00 -2.50 0.00 0.00 54.97 52.06 1ndy s GLU 113 Cb -0.10 -0.40 -0.10 0.00 0.00 0.00 0.00 34.13 33.53 1ndy s GLU 113 CO -0.11 0.01 1.42 -1.25 0.02 0.00 0.00 175.26 175.35 1ndy s PRO 114 N 0.29 4.02 0.09 4.30 0.04 -1.26 -4.98 135.00 137.50 1ndy s PRO 114 Ca -0.03 2.43 -0.34 0.00 0.04 0.00 0.00 61.00 63.10 1ndy s PRO 114 Cb -0.06 -2.87 -0.13 0.00 0.04 0.00 0.00 34.50 31.47 1ndy s PRO 114 CO -0.01 -0.55 1.67 -0.89 0.04 0.00 0.00 177.00 177.27 1ndy n ILE 115 N 0.30 0.18 -1.77 0.56 5.41 -1.09 -4.93 119.36 118.01 1ndy n ILE 115 Ca 0.02 -0.03 -0.33 0.00 1.00 0.00 0.00 62.75 63.41 1ndy n ILE 115 Cb 0.41 -1.66 0.05 0.00 -0.71 0.00 0.00 39.64 37.72 1ndy n ILE 115 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ndy s PRO 116 N 1.87 2.79 -1.59 0.38 0.04 -1.26 -4.07 135.00 133.16 1ndy s PRO 116 Ca 0.83 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 1ndy s PRO 116 Cb -0.67 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1ndy s PRO 116 CO 0.42 -1.27 0.18 0.91 0.04 0.00 0.00 177.00 177.28 1ndy n TRP 117 N -2.34 -1.21 -1.11 0.56 7.02 -1.26 -1.80 117.44 117.31 1ndy n TRP 117 Ca 0.11 0.15 -0.04 0.00 -1.02 0.00 0.00 57.50 56.70 1ndy n TRP 117 Cb 0.52 -3.92 -0.02 0.00 -2.42 0.00 0.00 31.31 25.47 1ndy n TRP 117 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ndy n ASN 118 N -1.86 -4.87 -4.77 -0.99 4.13 -1.26 -4.88 115.26 100.76 1ndy n ASN 118 Ca -0.19 0.09 -0.38 0.00 1.68 0.00 0.00 54.58 55.78 1ndy n ASN 118 Cb 0.66 -2.69 -0.01 0.00 -1.54 0.00 0.00 39.78 36.19 1ndy n ASN 118 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ndy s GLN 119 N -1.80 3.96 0.59 3.52 -0.21 -0.74 -5.01 119.66 119.97 1ndy s GLN 119 Ca 0.00 1.86 -0.15 0.00 0.02 0.00 0.00 55.36 57.10 1ndy s GLN 119 Cb 0.00 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 1ndy s GLN 119 CO 0.00 -0.41 1.03 0.00 -2.12 0.00 0.00 175.29 173.80 1ndy s ALA 120 N -1.43 2.87 0.44 6.09 0.00 -1.26 -4.90 121.76 123.57 1ndy s ALA 120 Ca 0.59 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 1ndy s ALA 120 Cb -0.31 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1ndy s ALA 120 CO 0.39 -0.70 1.13 -1.91 0.00 0.00 0.00 175.76 174.67 1ndy n GLU 121 N -2.16 1.57 0.00 0.00 2.13 -1.26 -4.93 120.64 115.99 1ndy n GLU 121 Ca 0.08 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1ndy n GLU 121 Cb 0.53 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1ndy n GLU 121 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ndy n GLY 122 N 1.02 5.10 1.18 8.31 0.00 -0.66 -5.04 105.19 115.11 1ndy n GLY 122 Ca 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.28 1ndy n GLY 122 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ndy n ASP 123 N 0.00 0.66 -4.53 1.61 5.75 -1.26 -4.48 116.55 114.30 1ndy n ASP 123 Ca 0.00 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.36 1ndy n ASP 123 Cb 0.00 -0.26 -0.07 0.00 -1.03 0.00 0.00 41.12 39.76 1ndy n ASP 123 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ndy s LEU 124 N 0.00 4.43 0.77 -2.12 0.20 -1.26 -4.90 118.68 115.79 1ndy s LEU 124 Ca 0.23 -0.23 -0.10 0.00 0.69 0.00 0.00 54.13 54.72 1ndy s LEU 124 Cb 0.26 -2.77 0.08 0.00 -0.43 0.00 0.00 46.19 43.33 1ndy s LEU 124 CO -0.11 -0.77 1.11 0.42 -0.29 0.00 0.00 176.35 176.70 1ndy s THR 125 N 2.87 2.13 0.22 3.68 -4.23 -1.26 -1.33 115.64 117.72 1ndy s THR 125 Ca 0.24 -0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1ndy s THR 125 Cb -0.14 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.77 1ndy s THR 125 CO 0.19 0.00 1.67 -0.65 -0.54 0.00 0.00 174.62 175.28 1ndy h PRO 126 N -0.87 0.82 -0.19 3.99 0.11 -1.83 -0.41 132.00 133.63 1ndy h PRO 126 Ca -0.45 -0.29 0.03 0.00 0.11 0.00 0.00 66.00 65.40 1ndy h PRO 126 Cb 1.32 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 1ndy h PRO 126 CO 0.61 0.91 0.02 0.22 -0.21 0.00 0.00 178.00 179.55 1ndy h ASP 127 N 0.74 -0.03 -0.93 -2.05 1.82 -1.94 -1.93 116.42 112.10 1ndy h ASP 127 Ca 0.12 0.04 0.09 0.00 -0.39 0.00 0.00 57.03 56.89 1ndy h ASP 127 Cb 0.63 0.06 -0.07 0.00 0.68 0.00 0.00 39.33 40.63 1ndy h ASP 127 CO 0.04 0.01 0.57 -0.08 -1.61 0.00 0.00 179.24 178.17 1ndy h GLU 128 N 0.08 0.94 -0.78 0.28 4.81 -1.91 0.18 114.58 118.18 1ndy h GLU 128 Ca 0.09 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 1ndy h GLU 128 Cb 0.09 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.18 1ndy h GLU 128 CO -0.13 0.62 0.38 0.28 -0.73 0.00 0.00 179.01 179.43 1ndy h VAL 129 N 0.97 0.76 -0.70 0.32 2.07 -0.41 -1.73 116.25 117.54 1ndy h VAL 129 Ca 0.44 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1ndy h VAL 129 Cb 0.34 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1ndy h VAL 129 CO -0.23 0.11 0.34 0.58 0.02 0.00 0.00 177.57 178.39 1ndy h VAL 130 N 0.58 1.22 -0.40 2.57 2.07 -0.27 -1.58 116.25 120.44 1ndy h VAL 130 Ca 0.41 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1ndy h VAL 130 Cb 0.53 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ndy h VAL 130 CO -0.33 0.26 0.13 -1.28 0.02 0.00 0.00 177.57 176.37 1ndy h SER 131 N 0.98 0.58 -0.57 0.57 0.87 -0.59 0.16 113.55 115.56 1ndy h SER 131 Ca 0.24 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1ndy h SER 131 Cb 0.10 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1ndy h SER 131 CO -0.03 0.62 0.26 -0.07 -0.53 0.00 0.00 176.83 177.08 1ndy h LEU 132 N 0.51 0.76 -0.29 2.23 3.38 -1.17 -1.45 115.31 119.28 1ndy h LEU 132 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ndy h LEU 132 Cb 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ndy h LEU 132 CO -0.01 0.69 0.15 0.58 0.09 0.00 0.00 178.44 179.94 1ndy h VAL 133 N 0.77 1.14 -0.55 1.22 2.07 -0.96 -1.00 116.25 118.94 1ndy h VAL 133 Ca 0.19 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.42 1ndy h VAL 133 Cb 0.15 0.88 -0.10 0.00 -1.52 0.00 0.00 31.29 30.70 1ndy h VAL 133 CO -0.02 0.15 -0.07 0.78 0.02 0.00 0.00 177.57 178.42 1ndy h ASN 134 N 0.34 -0.39 -0.08 0.57 -0.26 -0.44 -0.45 115.58 114.88 1ndy h ASN 134 Ca 0.10 0.15 0.04 0.00 -0.56 0.00 0.00 56.30 56.03 1ndy h ASN 134 Cb 0.10 0.30 -0.05 0.00 -1.06 0.00 0.00 38.32 37.60 1ndy h ASN 134 CO -0.01 -0.14 -0.25 1.56 -1.06 0.00 0.00 177.43 177.52 1ndy h GLN 135 N 0.05 -0.34 -0.91 0.81 4.20 -0.91 0.13 115.11 118.14 1ndy h GLN 135 Ca 0.28 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1ndy h GLN 135 Cb 0.43 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1ndy h GLN 135 CO -0.52 -0.22 0.58 0.78 -0.67 0.00 0.00 178.83 178.77 1ndy h GLY 136 N -0.35 1.30 0.91 3.46 0.00 -0.85 0.20 103.07 107.74 1ndy h GLY 136 Ca 0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 1ndy h GLY 136 CO -0.28 0.50 -0.40 1.41 0.00 0.00 0.00 176.54 177.77 1ndy h LEU 137 N 1.25 0.66 -0.34 3.11 4.07 -0.78 0.19 115.31 123.47 1ndy h LEU 137 Ca 0.33 -0.57 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 1ndy h LEU 137 Cb -0.10 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1ndy h LEU 137 CO -0.07 1.10 -0.18 1.56 -1.08 0.00 0.00 178.44 179.78 1ndy h GLN 138 N 0.24 0.71 -0.54 1.13 4.20 -0.56 0.93 115.11 121.22 1ndy h GLN 138 Ca -0.00 -0.32 0.10 0.00 0.06 0.00 0.00 58.65 58.49 1ndy h GLN 138 Cb 1.01 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.69 1ndy h GLN 138 CO 0.09 0.92 0.10 0.93 -0.67 0.00 0.00 178.83 180.20 1ndy h GLU 139 N 0.49 0.22 -0.39 1.46 5.08 -0.63 -1.71 114.58 119.10 1ndy h GLU 139 Ca 0.07 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1ndy h GLU 139 Cb 0.72 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ndy h GLU 139 CO 0.05 0.15 -0.12 0.78 -1.00 0.00 0.00 179.01 178.87 1ndy h GLY 140 N 0.23 0.75 0.73 -3.84 0.00 -0.36 -0.62 103.07 99.96 1ndy h GLY 140 Ca 0.28 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ndy h GLY 140 CO -0.37 0.51 -0.25 -2.09 0.00 0.00 0.00 176.54 174.34 1ndy h GLU 141 N 0.64 -0.53 -0.86 4.80 4.81 -0.73 0.37 114.58 123.06 1ndy h GLU 141 Ca 0.11 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 1ndy h GLU 141 Cb 0.57 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.97 1ndy h GLU 141 CO 0.04 -0.35 0.44 0.00 -0.73 0.00 0.00 179.01 178.40 1ndy h ARG 142 N -0.55 0.58 0.18 1.92 2.47 -1.18 -0.36 114.38 117.44 1ndy h ARG 142 Ca -0.01 -0.04 -0.31 0.00 -1.26 0.00 0.00 59.98 58.36 1ndy h ARG 142 Cb 0.50 -0.13 0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1ndy h ARG 142 CO -0.05 0.39 -1.43 -0.44 0.56 0.00 0.00 179.97 179.00 1ndy h ASP 143 N 0.60 0.60 0.00 7.04 3.45 -0.92 -3.40 116.42 123.80 1ndy h ASP 143 Ca 0.48 -0.69 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1ndy h ASP 143 Cb 0.73 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1ndy h ASP 143 CO -0.39 1.55 -1.08 0.49 -1.57 0.00 0.00 179.24 178.24 1ndy n PHE 144 N -3.60 0.00 -1.94 4.55 3.01 0.13 -5.02 117.46 114.59 1ndy n PHE 144 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 1ndy n PHE 144 Cb 1.06 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 1ndy n PHE 144 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ndy n GLY 145 N 1.46 0.45 3.22 1.37 0.00 -0.15 -4.93 105.19 106.60 1ndy n GLY 145 Ca 0.01 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1ndy n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ndy s VAL 146 N -2.03 1.76 0.09 1.61 1.01 -1.25 -4.93 120.40 116.65 1ndy s VAL 146 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1ndy s VAL 146 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1ndy s VAL 146 CO 0.00 0.50 0.63 -0.75 0.00 0.00 0.00 175.10 175.47 1ndy s LYS 147 N -0.24 4.31 -0.02 2.72 2.20 -0.44 -4.34 119.74 123.92 1ndy s LYS 147 Ca 0.01 0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 56.47 1ndy s LYS 147 Cb -0.11 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1ndy s LYS 147 CO 0.02 0.60 0.02 0.08 -0.36 0.00 0.00 175.35 175.71 1ndy s VAL 148 N -1.06 0.00 0.23 4.02 1.01 -1.26 -1.83 120.40 121.52 1ndy s VAL 148 Ca 0.31 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.54 1ndy s VAL 148 Cb -0.20 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1ndy s VAL 148 CO 0.21 0.11 -0.04 -0.13 0.00 0.00 0.00 175.10 175.25 1ndy s ARG 149 N 1.16 1.35 0.27 2.72 1.81 -0.64 -4.96 118.95 120.66 1ndy s ARG 149 Ca -0.08 -1.67 0.08 0.00 -1.72 0.00 0.00 55.73 52.34 1ndy s ARG 149 Cb -0.13 -0.77 -0.06 0.00 -0.45 0.00 0.00 34.95 33.54 1ndy s ARG 149 CO -0.03 -0.03 -0.11 -1.54 -0.68 0.00 0.00 175.30 172.92 1ndy s SER 150 N -3.32 3.03 -0.05 0.23 1.04 0.01 -1.07 113.70 113.56 1ndy s SER 150 Ca 0.27 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.58 1ndy s SER 150 Cb 0.04 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1ndy s SER 150 CO 0.08 -0.22 -0.07 -0.63 0.98 0.00 0.00 173.24 173.39 1ndy s ILE 151 N -2.85 0.72 -0.09 -1.02 1.01 0.11 -0.80 121.20 118.28 1ndy s ILE 151 Ca 0.28 -0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 1ndy s ILE 151 Cb 0.01 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1ndy s ILE 151 CO 0.12 0.27 0.55 -0.76 0.00 0.00 0.00 174.94 175.11 1ndy s LEU 152 N 0.86 4.30 -0.23 2.97 1.43 -1.05 -1.53 118.68 125.43 1ndy s LEU 152 Ca -0.12 0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 1ndy s LEU 152 Cb -0.15 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1ndy s LEU 152 CO 0.01 -0.01 0.12 0.00 0.23 0.00 0.00 176.35 176.69 1ndy s MET 155 N -4.06 3.36 0.31 0.00 -1.94 -1.26 -1.23 119.30 114.49 1ndy s MET 155 Ca 0.68 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 54.06 1ndy s MET 155 Cb -0.21 -2.95 0.82 0.00 2.01 0.00 0.00 34.83 34.50 1ndy s MET 155 CO 0.41 -0.16 1.58 0.00 -0.01 0.00 0.00 175.02 176.84 1ndy h ARG 156 N 7.96 0.02 -0.00 2.03 2.47 -1.17 0.12 114.38 125.80 1ndy h ARG 156 Ca -0.40 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1ndy h ARG 156 Cb 1.16 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1ndy h ARG 156 CO 0.60 0.01 -0.12 -2.39 0.56 0.00 0.00 179.97 178.64 1ndy n HIS 157 N -5.45 0.00 -3.23 3.04 1.44 -1.26 -4.28 115.22 105.48 1ndy n HIS 157 Ca 0.25 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.70 1ndy n HIS 157 Cb 0.82 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.66 1ndy n HIS 157 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1ndy n GLN 158 N -1.02 2.15 0.18 -1.40 1.13 0.40 -4.92 117.38 113.91 1ndy n GLN 158 Ca 0.14 -4.28 0.10 0.00 -1.94 0.00 0.00 57.00 51.02 1ndy n GLN 158 Cb 0.28 -1.98 0.54 0.00 0.11 0.00 0.00 30.24 29.20 1ndy n GLN 158 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1ndy h PRO 159 N 3.71 0.00 0.00 -1.09 0.13 -1.75 -2.21 132.00 130.80 1ndy h PRO 159 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ndy h PRO 159 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1ndy h PRO 159 CO 0.72 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.15 1ndy h SER 160 N 0.00 0.00 1.52 1.44 4.64 -1.91 -2.68 113.55 116.55 1ndy h SER 160 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ndy h SER 160 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ndy h SER 160 CO 0.00 0.00 -0.18 -0.50 -0.87 0.00 0.00 176.83 175.28 1ndy h TRP 161 N 0.00 0.00 -0.03 4.77 6.55 -1.77 -3.42 115.95 122.05 1ndy h TRP 161 Ca 0.00 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 59.65 1ndy h TRP 161 Cb 0.46 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.75 1ndy h TRP 161 CO 0.00 0.00 -0.82 0.77 -1.05 0.00 0.00 178.44 177.34 1ndy h SER 162 N 0.00 0.38 1.45 -3.49 0.02 -1.65 -0.46 113.55 109.80 1ndy h SER 162 Ca 0.00 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1ndy h SER 162 Cb 0.85 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1ndy h SER 162 CO 0.00 1.05 -0.02 0.77 -1.14 0.00 0.00 176.83 177.49 1ndy h SER 163 N 0.19 0.00 0.76 3.07 4.64 -1.79 -0.90 113.55 119.52 1ndy h SER 163 Ca -0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1ndy h SER 163 Cb 1.42 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.49 1ndy h SER 163 CO 0.13 0.02 -0.92 -0.08 -0.87 0.00 0.00 176.83 175.11 1ndy h GLU 164 N 0.00 0.09 -0.09 4.77 4.81 -1.55 0.04 114.58 122.66 1ndy h GLU 164 Ca -0.00 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1ndy h GLU 164 Cb 0.75 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 1ndy h GLU 164 CO 0.00 0.94 -0.18 0.28 -0.73 0.00 0.00 179.01 179.32 1ndy h VAL 165 N 0.04 0.54 -0.37 0.32 2.07 -0.43 0.13 116.25 118.55 1ndy h VAL 165 Ca -0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 1ndy h VAL 165 Cb 1.59 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1ndy h VAL 165 CO 0.13 0.00 -0.19 1.62 0.02 0.00 0.00 177.57 179.15 1ndy h VAL 166 N -0.25 1.26 -0.29 2.57 3.04 -0.96 0.49 116.25 122.11 1ndy h VAL 166 Ca 0.09 -1.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 1ndy h VAL 166 Cb 0.37 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1ndy h VAL 166 CO -0.24 0.42 0.19 -0.33 -1.01 0.00 0.00 177.57 176.60 1ndy h GLU 167 N 0.62 0.38 -0.22 4.17 4.39 -0.74 -1.23 114.58 121.94 1ndy h GLU 167 Ca 0.09 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.57 1ndy h GLU 167 Cb 0.67 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1ndy h GLU 167 CO 0.05 0.25 -0.64 -0.07 -1.16 0.00 0.00 179.01 177.44 1ndy h LEU 168 N 0.39 0.95 -1.81 1.33 3.38 0.50 0.09 115.31 120.14 1ndy h LEU 168 Ca 0.11 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1ndy h LEU 168 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1ndy h LEU 168 CO -0.02 1.36 0.19 0.00 0.09 0.00 0.00 178.44 180.05 1ndy h LYS 170 N 0.26 0.55 -0.17 0.00 1.57 -0.59 -2.67 116.57 115.50 1ndy h LYS 170 Ca 0.11 -0.66 -0.04 0.00 -1.87 0.00 0.00 60.65 58.19 1ndy h LYS 170 Cb 0.14 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ndy h LYS 170 CO -0.02 1.27 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.87 1ndy h LYS 171 N 0.28 0.33 -0.72 3.15 3.64 -0.68 -3.09 116.57 119.47 1ndy h LYS 171 Ca -0.14 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1ndy h LYS 171 Cb 1.76 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.56 1ndy h LYS 171 CO 0.20 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.64 1ndy n TYR 172 N -4.67 1.28 -1.99 1.91 4.01 -0.54 -5.02 117.16 112.14 1ndy n TYR 172 Ca -0.05 -0.45 -0.38 0.00 -0.16 0.00 0.00 57.90 56.86 1ndy n TYR 172 Cb 0.26 -0.34 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 1ndy n TYR 172 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1ndy s ARG 173 N -2.07 3.57 0.00 -0.72 1.70 -1.01 -1.68 118.95 118.75 1ndy s ARG 173 Ca 0.34 2.10 0.00 0.00 -0.47 0.00 0.00 55.73 57.70 1ndy s ARG 173 Cb 0.26 -2.46 0.00 0.00 -0.57 0.00 0.00 34.95 32.18 1ndy s ARG 173 CO 0.11 -0.80 0.00 -1.91 -1.08 0.00 0.00 175.30 171.62 1ndy n GLU 174 N -0.51 0.00 -2.67 3.89 2.13 -0.91 -4.75 120.64 117.81 1ndy n GLU 174 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1ndy n GLU 174 Cb 0.45 -3.86 0.05 0.00 0.27 0.00 0.00 31.44 28.35 1ndy n GLU 174 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ndy n GLN 175 N -2.00 1.51 -0.39 5.31 7.27 -0.67 -4.51 117.38 123.90 1ndy n GLN 175 Ca 0.00 -3.31 0.09 0.00 0.07 0.00 0.00 57.00 53.85 1ndy n GLN 175 Cb 0.00 -1.40 0.24 0.00 2.41 0.00 0.00 30.24 31.49 1ndy n GLN 175 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1ndy n THR 176 N -0.47 2.19 -2.87 1.69 -2.24 -1.23 -4.87 114.28 106.48 1ndy n THR 176 Ca 0.07 -1.90 -0.42 0.00 -2.27 0.00 0.00 64.05 59.53 1ndy n THR 176 Cb 0.84 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1ndy n THR 176 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ndy s VAL 177 N -2.77 4.86 -1.12 2.28 -7.23 -1.03 -0.81 120.40 114.58 1ndy s VAL 177 Ca 0.40 1.67 0.11 0.00 -1.81 0.00 0.00 61.98 62.35 1ndy s VAL 177 Cb 0.33 -4.15 0.02 0.00 0.56 0.00 0.00 36.38 33.13 1ndy s VAL 177 CO 0.08 0.01 0.72 1.33 -0.31 0.00 0.00 175.10 176.93 1ndy n VAL 178 N 4.79 0.00 -3.70 1.32 0.24 0.02 -2.15 118.33 118.85 1ndy n VAL 178 Ca 0.05 -0.41 -0.04 0.00 -2.04 0.00 0.00 64.34 61.90 1ndy n VAL 178 Cb 0.49 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 34.00 1ndy n VAL 178 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ndy s ALA 179 N -1.38 -1.70 0.02 2.33 0.00 -1.24 -3.39 121.76 116.40 1ndy s ALA 179 Ca 0.10 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1ndy s ALA 179 Cb 0.09 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1ndy s ALA 179 CO 0.26 -0.97 -0.04 -1.50 0.00 0.00 0.00 175.76 173.51 1ndy s ILE 180 N -3.23 3.85 0.21 0.00 2.07 0.21 -2.53 121.20 121.78 1ndy s ILE 180 Ca 0.11 -0.77 0.05 0.00 -1.41 0.00 0.00 60.65 58.63 1ndy s ILE 180 Cb -0.01 -2.72 -0.05 0.00 0.13 0.00 0.00 42.46 39.81 1ndy s ILE 180 CO -0.00 0.33 -0.07 -0.62 -1.91 0.00 0.00 174.94 172.67 1ndy s ASP 181 N -1.64 2.18 -0.24 4.50 3.68 0.30 -1.81 116.67 123.64 1ndy s ASP 181 Ca 0.19 -1.11 0.02 0.00 2.13 0.00 0.00 52.55 53.78 1ndy s ASP 181 Cb -0.11 -0.06 0.05 0.00 -1.45 0.00 0.00 42.92 41.35 1ndy s ASP 181 CO 0.10 -0.35 -0.11 -0.22 0.13 0.00 0.00 175.17 174.73 1ndy s LEU 182 N -3.30 2.93 0.45 -1.34 2.96 -1.22 -0.28 118.68 118.89 1ndy s LEU 182 Ca 0.24 -1.19 0.03 0.00 -0.22 0.00 0.00 54.13 52.99 1ndy s LEU 182 Cb 0.03 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 1ndy s LEU 182 CO 0.07 -0.17 0.03 0.00 -1.32 0.00 0.00 176.35 174.95 1ndy s ALA 183 N 1.23 3.55 0.00 5.97 0.00 -0.36 -1.60 121.76 130.54 1ndy s ALA 183 Ca -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1ndy s ALA 183 Cb -0.18 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1ndy s ALA 183 CO -0.07 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1ndy n GLY 184 N -1.09 0.36 3.46 0.00 0.00 -1.26 -0.55 105.19 106.11 1ndy n GLY 184 Ca -0.12 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1ndy n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ndy s ASP 185 N -4.00 6.24 0.00 1.61 3.68 -1.26 -4.87 116.67 118.07 1ndy s ASP 185 Ca 0.00 -0.83 0.24 0.00 2.13 0.00 0.00 52.55 54.09 1ndy s ASP 185 Cb 0.00 -2.36 1.36 0.00 -1.45 0.00 0.00 42.92 40.47 1ndy s ASP 185 CO 0.00 -1.13 1.80 -1.84 0.13 0.00 0.00 175.17 174.13 1ndy n GLU 186 N 6.89 0.62 0.00 4.34 0.28 -1.26 -2.96 120.64 128.55 1ndy n GLU 186 Ca -0.04 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.10 1ndy n GLU 186 Cb 0.46 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 32.02 1ndy n GLU 186 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1ndy n THR 187 N -1.09 0.00 -1.64 3.84 -2.24 -1.26 -4.80 114.28 107.08 1ndy n THR 187 Ca 0.16 -0.10 -0.48 0.00 -2.27 0.00 0.00 64.05 61.36 1ndy n THR 187 Cb 0.12 0.62 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1ndy n THR 187 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ndy n ILE 188 N -0.87 0.52 -1.65 2.28 5.41 -1.16 -4.82 119.36 119.06 1ndy n ILE 188 Ca 0.09 -0.17 -0.49 0.00 1.00 0.00 0.00 62.75 63.17 1ndy n ILE 188 Cb 0.37 -1.96 -0.05 0.00 -0.71 0.00 0.00 39.64 37.29 1ndy n ILE 188 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ndy n GLU 189 N 7.18 1.79 -0.34 0.38 2.13 -1.26 -1.76 120.64 128.76 1ndy n GLU 189 Ca 0.26 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1ndy n GLU 189 Cb 0.31 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1ndy n GLU 189 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ndy n GLY 190 N 3.39 1.66 0.23 8.31 0.00 -1.26 -4.89 105.19 112.64 1ndy n GLY 190 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1ndy n GLY 190 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ndy h SER 191 N 0.00 0.00 0.15 1.61 4.64 -1.71 0.34 113.55 118.59 1ndy h SER 191 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ndy h SER 191 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ndy h SER 191 CO 0.00 0.21 -0.02 0.28 -0.87 0.00 0.00 176.83 176.42 1ndy h SER 192 N 0.00 0.00 -0.30 4.97 0.02 -1.90 -2.76 113.55 113.57 1ndy h SER 192 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ndy h SER 192 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1ndy h SER 192 CO 0.03 0.02 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 1ndy n LEU 193 N -3.41 2.95 -4.67 5.07 7.99 0.12 -4.51 117.00 120.54 1ndy n LEU 193 Ca -0.02 -1.57 -0.44 0.00 -0.01 0.00 0.00 56.01 53.96 1ndy n LEU 193 Cb 0.12 -0.20 -0.02 0.00 -0.11 0.00 0.00 43.42 43.21 1ndy n LEU 193 CO 0.25 0.66 0.96 0.49 -1.51 0.00 0.00 177.39 178.24 1ndy n PHE 194 N 0.98 2.10 -0.37 -1.77 3.72 -1.04 -4.74 117.46 116.34 1ndy n PHE 194 Ca 0.14 0.48 0.05 0.00 -0.05 0.00 0.00 57.45 58.07 1ndy n PHE 194 Cb 0.47 -2.43 0.21 0.00 -0.94 0.00 0.00 39.48 36.79 1ndy n PHE 194 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1ndy h PRO 195 N 3.73 1.05 -0.62 -1.08 0.11 -1.94 -0.46 132.00 132.79 1ndy h PRO 195 Ca -0.45 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.66 1ndy h PRO 195 Cb 1.28 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 1ndy h PRO 195 CO 0.72 0.70 0.31 0.78 -0.21 0.00 0.00 178.00 180.30 1ndy h GLY 196 N 1.08 0.90 0.70 -0.55 0.00 -1.89 0.12 103.07 103.43 1ndy h GLY 196 Ca 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1ndy h GLY 196 CO -0.22 0.10 -0.04 0.45 0.00 0.00 0.00 176.54 176.83 1ndy h HIS 197 N 0.58 0.24 -0.79 5.60 3.86 -1.33 -2.42 115.15 120.90 1ndy h HIS 197 Ca 0.29 -0.06 0.10 0.00 -1.16 0.00 0.00 60.37 59.55 1ndy h HIS 197 Cb 0.23 -0.06 -0.08 0.00 1.06 0.00 0.00 27.41 28.57 1ndy h HIS 197 CO -0.10 0.55 0.42 0.28 0.86 0.00 0.00 177.93 179.94 1ndy h VAL 198 N -0.14 0.85 -0.10 2.45 2.07 -1.07 -0.09 116.25 120.22 1ndy h VAL 198 Ca 0.02 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 1ndy h VAL 198 Cb 0.48 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1ndy h VAL 198 CO 0.01 0.13 -0.54 -0.61 0.02 0.00 0.00 177.57 176.58 1ndy h GLN 199 N 0.69 0.28 -0.65 1.57 5.75 -0.82 0.46 115.11 122.39 1ndy h GLN 199 Ca 0.39 -0.17 -0.08 0.00 -0.15 0.00 0.00 58.65 58.64 1ndy h GLN 199 Cb 0.42 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1ndy h GLN 199 CO -0.28 0.75 0.08 0.00 -2.65 0.00 0.00 178.83 176.73 1ndy h ALA 200 N 1.22 0.87 0.00 3.38 0.00 -1.03 0.52 119.26 124.22 1ndy h ALA 200 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1ndy h ALA 200 Cb 1.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ndy h ALA 200 CO 0.09 0.66 -0.63 1.88 0.00 0.00 0.00 179.25 181.24 1ndy h TYR 201 N 1.02 0.00 -0.02 0.00 -1.99 -0.64 0.04 116.97 115.38 1ndy h TYR 201 Ca 0.19 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 1ndy h TYR 201 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1ndy h TYR 201 CO 0.04 0.63 -0.33 0.00 -0.00 0.00 0.00 178.16 178.50 1ndy h ALA 202 N 1.37 1.42 -0.03 3.88 0.00 -0.85 -0.94 119.26 124.11 1ndy h ALA 202 Ca -0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1ndy h ALA 202 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ndy h ALA 202 CO 0.08 0.43 -0.69 1.49 0.00 0.00 0.00 179.25 180.56 1ndy h GLU 203 N 0.04 0.14 -0.62 0.00 4.57 -0.59 0.05 114.58 118.17 1ndy h GLU 203 Ca 0.00 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1ndy h GLU 203 Cb 0.60 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1ndy h GLU 203 CO 0.04 0.78 0.35 0.00 -1.18 0.00 0.00 179.01 179.00 1ndy h ALA 204 N 1.19 0.79 0.10 2.92 0.00 -0.07 0.48 119.26 124.67 1ndy h ALA 204 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ndy h ALA 204 Cb 1.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ndy h ALA 204 CO 0.10 0.29 -0.10 0.28 0.00 0.00 0.00 179.25 179.82 1ndy h VAL 205 N 0.84 0.78 -0.89 0.00 2.07 -1.03 -0.91 116.25 117.10 1ndy h VAL 205 Ca 0.22 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.84 1ndy h VAL 205 Cb 0.02 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1ndy h VAL 205 CO -0.04 0.00 0.58 0.50 0.02 0.00 0.00 177.57 178.63 1ndy h LYS 206 N -0.22 0.83 -0.67 1.57 3.64 -0.71 -2.90 116.57 118.11 1ndy h LYS 206 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ndy h LYS 206 Cb 0.21 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ndy h LYS 206 CO -0.03 0.55 0.00 0.43 -2.27 0.00 0.00 179.45 178.13 1ndy n SER 207 N -4.54 4.52 -1.67 4.20 7.64 0.13 -4.96 113.62 118.94 1ndy n SER 207 Ca 0.16 -2.32 -0.14 0.00 1.01 0.00 0.00 58.87 57.58 1ndy n SER 207 Cb 0.34 -0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1ndy n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ndy n GLY 208 N 1.27 -0.22 3.64 0.23 0.00 -0.81 -5.01 105.19 104.28 1ndy n GLY 208 Ca 0.25 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1ndy n GLY 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ndy s VAL 209 N -2.73 5.13 0.90 1.61 1.01 -0.41 -5.05 120.40 120.86 1ndy s VAL 209 Ca 0.01 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1ndy s VAL 209 Cb -0.01 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.74 1ndy s VAL 209 CO 0.02 0.16 1.12 -1.00 0.00 0.00 0.00 175.10 175.40 1ndy s HIS 210 N 1.86 1.88 -0.03 5.22 3.76 -1.22 -4.34 115.29 122.42 1ndy s HIS 210 Ca 0.20 1.65 -0.01 0.00 -0.15 0.00 0.00 55.06 56.75 1ndy s HIS 210 Cb -0.15 -3.24 0.03 0.00 1.11 0.00 0.00 32.58 30.33 1ndy s HIS 210 CO 0.09 -2.63 0.03 1.03 -0.85 0.00 0.00 174.74 172.41 1ndy s ARG 211 N -4.72 0.06 0.29 1.40 0.52 -1.26 -0.62 118.95 114.62 1ndy s ARG 211 Ca 0.65 0.21 0.10 0.00 -0.52 0.00 0.00 55.73 56.17 1ndy s ARG 211 Cb -0.21 -0.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 1ndy s ARG 211 CO 0.58 -0.21 -0.14 -0.08 0.02 0.00 0.00 175.30 175.46 1ndy s THR 212 N 1.42 2.20 -0.10 0.02 -1.32 -0.75 -0.29 115.64 116.82 1ndy s THR 212 Ca -0.05 -2.29 -0.06 0.00 -1.21 0.00 0.00 61.69 58.08 1ndy s THR 212 Cb -0.13 -2.38 0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1ndy s THR 212 CO -0.03 -0.36 0.24 -0.69 -2.21 0.00 0.00 174.62 171.57 1ndy s VAL 213 N -2.67 -0.03 -0.05 5.08 1.01 -1.18 -3.39 120.40 119.17 1ndy s VAL 213 Ca 0.30 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1ndy s VAL 213 Cb -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1ndy s VAL 213 CO 0.14 0.04 1.49 -1.00 0.00 0.00 0.00 175.10 175.77 1ndy s HIS 214 N 0.82 2.46 -0.23 5.22 3.76 -0.63 -0.53 115.29 126.15 1ndy s HIS 214 Ca -0.06 0.56 -0.16 0.00 -0.15 0.00 0.00 55.06 55.25 1ndy s HIS 214 Cb -0.07 -3.75 0.07 0.00 1.11 0.00 0.00 32.58 29.93 1ndy s HIS 214 CO -0.05 -2.97 0.59 0.00 -0.85 0.00 0.00 174.74 171.47 1ndy s ALA 215 N 3.34 -1.54 0.00 -1.40 0.00 -0.78 -4.88 121.76 116.51 1ndy s ALA 215 Ca 0.66 1.94 0.00 0.00 0.00 0.00 0.00 51.96 54.57 1ndy s ALA 215 Cb -0.31 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1ndy s ALA 215 CO 0.26 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1ndy n GLY 216 N 3.69 0.75 0.12 0.00 0.00 -1.26 -1.17 105.19 107.32 1ndy n GLY 216 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1ndy n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ndy h GLU 217 N 2.98 -0.17 0.00 1.61 4.81 -1.91 0.09 114.58 121.99 1ndy h GLU 217 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ndy h GLU 217 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ndy h GLU 217 CO 0.00 0.29 0.00 1.55 -0.73 0.00 0.00 179.01 180.12 1ndy n VAL 218 N -4.90 0.00 -3.53 0.32 3.14 -1.26 -4.81 118.33 107.28 1ndy n VAL 218 Ca -0.08 -0.16 -0.23 0.00 -2.96 0.00 0.00 64.34 60.91 1ndy n VAL 218 Cb 0.27 1.16 -0.01 0.00 -1.06 0.00 0.00 33.84 34.20 1ndy n VAL 218 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ndy s GLY 219 N -0.24 1.31 1.00 7.55 0.00 -1.26 -4.95 107.32 110.72 1ndy s GLY 219 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.58 1ndy s GLY 219 CO 0.00 -0.97 1.12 -1.35 0.00 0.00 0.00 173.10 171.90 1ndy s SER 220 N -4.03 2.69 0.50 1.64 1.04 -1.26 -4.07 113.70 110.21 1ndy s SER 220 Ca 0.39 0.98 0.28 0.00 0.48 0.00 0.00 55.95 58.08 1ndy s SER 220 Cb -0.09 -1.54 1.37 0.00 0.10 0.00 0.00 66.02 65.86 1ndy s SER 220 CO 0.34 -3.06 1.86 0.00 0.98 0.00 0.00 173.24 173.36 1ndy h ALA 221 N -1.85 2.68 -0.25 5.32 0.00 -1.94 -0.38 119.26 122.84 1ndy h ALA 221 Ca -0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1ndy h ALA 221 Cb 1.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1ndy h ALA 221 CO 0.56 -0.97 -0.00 -0.97 0.00 0.00 0.00 179.25 177.86 1ndy h ASN 222 N 0.12 0.34 -0.34 0.00 -1.24 -1.91 0.12 115.58 112.67 1ndy h ASN 222 Ca 0.47 -0.05 -0.08 0.00 0.71 0.00 0.00 56.30 57.35 1ndy h ASN 222 Cb 1.64 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.59 1ndy h ASN 222 CO -0.07 0.40 -0.04 0.58 -1.29 0.00 0.00 177.43 177.00 1ndy h VAL 223 N 0.36 1.24 -0.59 2.57 2.07 -1.40 0.14 116.25 120.64 1ndy h VAL 223 Ca 0.08 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1ndy h VAL 223 Cb 0.24 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1ndy h VAL 223 CO 0.01 0.36 0.38 0.58 0.02 0.00 0.00 177.57 178.92 1ndy h VAL 224 N 0.68 1.16 -0.46 2.57 2.07 -1.43 -1.95 116.25 118.89 1ndy h VAL 224 Ca 0.13 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1ndy h VAL 224 Cb 0.49 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1ndy h VAL 224 CO 0.02 0.16 -0.10 0.50 0.02 0.00 0.00 177.57 178.17 1ndy h LYS 225 N 0.80 0.83 -0.49 1.57 3.64 -0.49 -1.73 116.57 120.71 1ndy h LYS 225 Ca 0.22 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1ndy h LYS 225 Cb -0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1ndy h LYS 225 CO -0.04 0.89 0.12 0.93 -2.27 0.00 0.00 179.45 179.08 1ndy h GLU 226 N 0.75 0.74 -0.52 1.90 5.08 -0.89 -0.40 114.58 121.24 1ndy h GLU 226 Ca 0.13 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ndy h GLU 226 Cb 0.59 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ndy h GLU 226 CO 0.04 0.67 0.30 0.00 -1.00 0.00 0.00 179.01 179.02 1ndy h ALA 227 N 1.42 0.66 0.01 3.43 0.00 -0.57 -0.12 119.26 124.08 1ndy h ALA 227 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ndy h ALA 227 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ndy h ALA 227 CO -0.00 0.15 -0.22 0.28 0.00 0.00 0.00 179.25 179.46 1ndy h VAL 228 N 0.69 1.58 0.22 0.00 2.07 -1.00 -1.03 116.25 118.79 1ndy h VAL 228 Ca 0.18 -2.01 -0.33 0.00 0.82 0.00 0.00 66.70 65.37 1ndy h VAL 228 Cb 0.00 2.87 0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1ndy h VAL 228 CO -0.03 0.54 -1.47 0.44 0.02 0.00 0.00 177.57 177.07 1ndy h ASP 229 N -0.59 0.73 0.02 0.57 3.32 -1.13 -2.80 116.42 116.55 1ndy h ASP 229 Ca -0.03 -0.82 -0.39 0.00 0.02 0.00 0.00 57.03 55.82 1ndy h ASP 229 Cb 1.01 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1ndy h ASP 229 CO 0.04 1.65 -2.42 0.41 -1.72 0.00 0.00 179.24 177.20 1ndy n THR 230 N -3.66 1.51 1.24 0.35 -1.04 -0.11 -4.48 114.28 108.09 1ndy n THR 230 Ca -0.16 -0.60 0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1ndy n THR 230 Cb 1.09 -1.38 0.40 0.00 -1.82 0.00 0.00 70.33 68.62 1ndy n THR 230 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ndy n LEU 231 N -3.25 0.89 -3.13 -4.42 4.77 -0.86 -4.91 117.00 106.09 1ndy n LEU 231 Ca -0.43 -0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.13 1ndy n LEU 231 Cb 1.01 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 42.00 1ndy n LEU 231 CO 0.29 0.17 0.10 0.29 -1.33 0.00 0.00 177.39 176.91 1ndy n LYS 232 N -0.78 -5.97 -1.36 3.23 4.76 -0.74 -4.78 118.16 112.51 1ndy n LYS 232 Ca 0.12 0.84 -0.30 0.00 -2.87 0.00 0.00 58.31 56.10 1ndy n LYS 232 Cb 0.34 -5.69 0.09 0.00 -1.84 0.00 0.00 35.03 27.93 1ndy n LYS 232 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1ndy s THR 233 N -3.22 3.26 -0.06 -0.18 -1.32 -0.47 -4.89 115.64 108.76 1ndy s THR 233 Ca 0.41 0.41 0.13 0.00 -1.21 0.00 0.00 61.69 61.43 1ndy s THR 233 Cb -0.18 -3.00 -0.20 0.00 -1.51 0.00 0.00 72.50 67.62 1ndy s THR 233 CO 0.50 -0.54 0.22 -0.62 -2.21 0.00 0.00 174.62 171.97 1ndy n GLU 234 N -3.51 0.93 -4.12 7.08 1.02 0.61 -4.83 120.64 117.81 1ndy n GLU 234 Ca 0.08 -0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 1ndy n GLU 234 Cb 0.54 -1.33 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 1ndy n GLU 234 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ndy s ARG 235 N -2.74 0.73 -0.12 3.49 0.52 -0.99 -4.06 118.95 115.79 1ndy s ARG 235 Ca -0.06 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1ndy s ARG 235 Cb 0.07 0.11 -0.00 0.00 0.52 0.00 0.00 34.95 35.65 1ndy s ARG 235 CO 0.56 -0.12 -0.20 -0.51 0.02 0.00 0.00 175.30 175.06 1ndy s LEU 236 N -2.98 2.30 -0.49 2.53 1.43 -0.43 -3.12 118.68 117.93 1ndy s LEU 236 Ca 0.11 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 1ndy s LEU 236 Cb 0.07 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1ndy s LEU 236 CO -0.06 0.15 1.51 -0.83 0.23 0.00 0.00 176.35 177.34 1ndy s GLY 237 N 0.43 0.88 0.00 -3.19 0.00 0.31 -0.52 107.32 105.22 1ndy s GLY 237 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1ndy s GLY 237 CO 0.06 2.91 0.00 1.42 0.00 0.00 0.00 173.10 177.49 1ndy n HIS 238 N 9.73 0.00 -1.00 1.90 8.25 0.13 -1.86 115.22 132.38 1ndy n HIS 238 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1ndy n HIS 238 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1ndy n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ndy n GLY 239 N 0.00 0.39 0.37 -1.41 0.00 -0.32 -4.48 105.19 99.74 1ndy n GLY 239 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ndy n GLY 239 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ndy h TYR 240 N 0.00 0.71 -0.15 1.61 0.05 -1.52 -1.35 116.97 116.32 1ndy h TYR 240 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1ndy h TYR 240 Cb 0.24 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1ndy h TYR 240 CO 0.15 0.30 0.00 0.72 -1.05 0.00 0.00 178.16 178.27 1ndy n HIS 241 N -4.52 0.21 0.08 4.88 8.25 -0.06 -2.43 115.22 121.63 1ndy n HIS 241 Ca 0.15 -0.10 0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1ndy n HIS 241 Cb 0.42 -0.01 0.45 0.00 1.12 0.00 0.00 29.99 31.98 1ndy n HIS 241 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1ndy h THR 242 N 0.89 1.11 -0.24 1.59 2.02 -1.51 -0.12 112.91 116.65 1ndy h THR 242 Ca 0.00 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 66.93 1ndy h THR 242 Cb 0.22 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ndy h THR 242 CO 0.00 0.12 0.29 -0.07 0.37 0.00 0.00 175.52 176.24 1ndy h LEU 243 N 0.37 0.00 0.00 2.58 3.38 -1.70 -1.69 115.31 118.24 1ndy h LEU 243 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ndy h LEU 243 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ndy h LEU 243 CO -0.01 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.68 1ndy n GLU 244 N -3.68 0.92 -3.87 1.13 0.28 -0.06 -4.34 120.64 111.02 1ndy n GLU 244 Ca 0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.73 1ndy n GLU 244 Cb 0.42 -1.32 -0.15 0.00 1.43 0.00 0.00 31.44 31.83 1ndy n GLU 244 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ndy s ASP 245 N -1.66 4.35 0.22 -1.84 3.68 -0.64 -5.00 116.67 115.79 1ndy s ASP 245 Ca 0.28 -1.85 -0.06 0.00 2.13 0.00 0.00 52.55 53.04 1ndy s ASP 245 Cb 0.13 -1.22 0.20 0.00 -1.45 0.00 0.00 42.92 40.58 1ndy s ASP 245 CO 0.21 -0.39 1.75 0.74 0.13 0.00 0.00 175.17 177.61 1ndy h THR 246 N 6.55 1.25 -0.16 1.71 2.02 -1.80 0.20 112.91 122.70 1ndy h THR 246 Ca -0.09 -0.94 -0.18 0.00 0.77 0.00 0.00 66.41 65.96 1ndy h THR 246 Cb 1.02 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1ndy h THR 246 CO 0.49 0.36 -0.65 0.74 0.37 0.00 0.00 175.52 176.83 1ndy h THR 247 N 1.00 1.33 -0.30 3.16 2.02 -1.96 0.79 112.91 118.95 1ndy h THR 247 Ca 0.21 -1.93 0.01 0.00 0.77 0.00 0.00 66.41 65.47 1ndy h THR 247 Cb 0.35 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1ndy h THR 247 CO 0.00 0.60 0.18 0.25 0.37 0.00 0.00 175.52 176.92 1ndy h LEU 248 N 0.43 0.29 -0.53 2.58 5.85 -1.85 0.17 115.31 122.24 1ndy h LEU 248 Ca -0.02 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ndy h LEU 248 Cb 1.23 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1ndy h LEU 248 CO 0.12 0.21 0.30 0.22 -0.34 0.00 0.00 178.44 178.96 1ndy h TYR 249 N 0.36 0.56 -0.73 1.25 5.03 -0.24 -0.51 116.97 122.69 1ndy h TYR 249 Ca 0.12 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 1ndy h TYR 249 Cb -0.01 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.07 1ndy h TYR 249 CO -0.07 0.30 0.34 -0.91 -1.32 0.00 0.00 178.16 176.50 1ndy h ASN 250 N 0.59 0.97 0.07 -2.11 -0.26 -0.55 -1.00 115.58 113.29 1ndy h ASN 250 Ca 0.22 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1ndy h ASN 250 Cb 0.07 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1ndy h ASN 250 CO -0.12 0.84 -0.23 -0.09 -1.06 0.00 0.00 177.43 176.77 1ndy h ARG 251 N 1.03 0.29 0.00 0.81 2.43 0.00 0.20 114.38 119.14 1ndy h ARG 251 Ca 0.25 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 1ndy h ARG 251 Cb 0.14 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1ndy h ARG 251 CO -0.03 0.51 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.11 1ndy h LEU 252 N 0.26 0.00 -0.32 3.80 3.38 -0.82 0.10 115.31 121.71 1ndy h LEU 252 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1ndy h LEU 252 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ndy h LEU 252 CO 0.04 0.76 -0.62 0.08 0.09 0.00 0.00 178.44 178.79 1ndy h ARG 253 N 0.00 0.76 -0.07 1.13 -0.00 -0.92 -0.52 114.38 114.77 1ndy h ARG 253 Ca -0.01 -0.52 -0.03 0.00 -0.00 0.00 0.00 59.98 59.42 1ndy h ARG 253 Cb 1.38 0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 31.43 1ndy h ARG 253 CO 0.10 1.15 -0.09 1.96 -0.00 0.00 0.00 179.97 183.09 1ndy h GLN 254 N 0.57 0.10 -0.51 0.08 4.20 -0.02 -2.53 115.11 116.99 1ndy h GLN 254 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ndy h GLN 254 Cb 1.22 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1ndy h GLN 254 CO 0.13 0.19 0.00 -0.85 -0.67 0.00 0.00 178.83 177.63 1ndy n GLU 255 N -4.38 2.31 -3.75 1.46 0.28 0.30 -4.93 120.64 111.94 1ndy n GLU 255 Ca -0.02 -1.65 -0.28 0.00 -0.16 0.00 0.00 57.16 55.05 1ndy n GLU 255 Cb 0.19 -1.48 0.04 0.00 1.43 0.00 0.00 31.44 31.62 1ndy n GLU 255 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ndy n ASN 256 N 0.70 -5.21 -4.76 -1.84 5.15 -0.95 -4.92 115.26 103.41 1ndy n ASN 256 Ca 0.15 -0.66 -0.40 0.00 -0.60 0.00 0.00 54.58 53.07 1ndy n ASN 256 Cb 0.47 -4.15 0.01 0.00 -0.53 0.00 0.00 39.78 35.58 1ndy n ASN 256 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 1ndy s MET 257 N -6.45 3.69 -0.12 1.20 -2.45 -0.23 -4.89 119.30 110.05 1ndy s MET 257 Ca 0.61 2.34 -0.20 0.00 -1.25 0.00 0.00 55.69 57.19 1ndy s MET 257 Cb -0.30 -2.63 -0.04 0.00 1.25 0.00 0.00 34.83 33.11 1ndy s MET 257 CO 0.75 -0.79 0.55 -1.58 1.05 0.00 0.00 175.02 175.00 1ndy s HIS 258 N -1.23 3.50 -0.30 4.11 2.46 -1.26 -4.39 115.29 118.18 1ndy s HIS 258 Ca 0.61 0.97 -0.11 0.00 0.47 0.00 0.00 55.06 57.01 1ndy s HIS 258 Cb -0.42 -2.65 -0.03 0.00 -0.13 0.00 0.00 32.58 29.35 1ndy s HIS 258 CO 0.54 0.09 0.19 -0.06 -2.47 0.00 0.00 174.74 173.03 1ndy s PHE 259 N 0.87 3.20 -0.94 3.88 0.40 -0.37 -1.31 117.98 123.71 1ndy s PHE 259 Ca 0.29 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.23 1ndy s PHE 259 Cb -0.16 -2.40 0.10 0.00 0.51 0.00 0.00 43.02 41.07 1ndy s PHE 259 CO 0.12 -0.31 1.23 -1.21 0.70 0.00 0.00 175.22 175.76 1ndy s GLU 260 N 1.70 3.55 0.14 0.44 2.02 0.32 -1.20 118.70 125.68 1ndy s GLU 260 Ca 0.06 -1.43 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 1ndy s GLU 260 Cb -0.17 -5.01 -0.06 0.00 0.10 0.00 0.00 34.13 28.99 1ndy s GLU 260 CO 0.09 -1.94 0.47 0.42 0.02 0.00 0.00 175.26 174.32 1ndy s ILE 261 N 3.67 5.01 -0.52 -1.63 -1.09 -0.07 -0.69 121.20 125.88 1ndy s ILE 261 Ca 0.37 0.49 0.04 0.00 -2.23 0.00 0.00 60.65 59.32 1ndy s ILE 261 Cb -0.04 -3.66 0.17 0.00 -1.58 0.00 0.00 42.46 37.35 1ndy s ILE 261 CO -0.08 0.16 0.40 0.00 -1.23 0.00 0.00 174.94 174.19 1ndy h PRO 263 N 5.58 0.74 -0.20 0.00 0.13 -1.93 -0.70 132.00 135.62 1ndy h PRO 263 Ca 0.22 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1ndy h PRO 263 Cb 0.85 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1ndy h PRO 263 CO 0.50 0.56 -0.15 2.35 -0.23 0.00 0.00 178.00 181.03 1ndy h TRP 264 N 0.73 0.54 -0.77 1.56 2.91 -1.90 -1.61 115.95 117.39 1ndy h TRP 264 Ca 0.19 -0.15 0.17 0.00 1.13 0.00 0.00 58.89 60.23 1ndy h TRP 264 Cb 0.02 -0.12 -0.14 0.00 -0.51 0.00 0.00 29.16 28.41 1ndy h TRP 264 CO -0.02 0.79 -0.08 1.03 -1.03 0.00 0.00 178.44 179.13 1ndy h SER 265 N 0.13 -0.51 -0.63 2.65 0.87 -1.80 -1.26 113.55 113.01 1ndy h SER 265 Ca 0.04 0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1ndy h SER 265 Cb 0.68 0.41 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 1ndy h SER 265 CO 0.04 -0.22 0.21 0.77 -0.53 0.00 0.00 176.83 177.10 1ndy h SER 266 N 0.05 0.92 -0.13 6.23 4.64 -0.73 0.71 113.55 125.24 1ndy h SER 266 Ca 0.40 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1ndy h SER 266 Cb 0.69 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1ndy h SER 266 CO -0.73 0.86 0.07 0.22 -0.87 0.00 0.00 176.83 176.38 1ndy h TYR 267 N 0.96 0.18 -0.20 4.77 5.03 -0.97 -0.52 116.97 126.22 1ndy h TYR 267 Ca 0.22 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.45 1ndy h TYR 267 Cb 0.26 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1ndy h TYR 267 CO 0.02 0.19 -0.18 -0.07 -1.32 0.00 0.00 178.16 176.80 1ndy h LEU 268 N 0.12 0.33 -0.09 2.82 3.38 -0.88 -2.76 115.31 118.23 1ndy h LEU 268 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ndy h LEU 268 Cb 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ndy h LEU 268 CO -0.01 0.53 0.00 0.35 0.09 0.00 0.00 178.44 179.40 1ndy n THR 269 N -4.20 0.48 -0.90 0.22 -2.24 0.21 -1.95 114.28 105.89 1ndy n THR 269 Ca -0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ndy n THR 269 Cb 0.33 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1ndy n THR 269 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ndy n GLY 270 N 0.89 0.71 0.30 3.38 0.00 -1.04 -4.58 105.19 104.83 1ndy n GLY 270 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 1ndy n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndy h ALA 271 N 0.00 1.14 -3.10 4.61 0.00 -1.71 -3.36 119.26 116.84 1ndy h ALA 271 Ca 0.00 0.22 -0.65 0.00 0.00 0.00 0.00 54.91 54.48 1ndy h ALA 271 Cb 0.04 0.32 -0.26 0.00 0.00 0.00 0.00 17.79 17.89 1ndy h ALA 271 CO 0.00 -0.44 -0.71 -0.46 0.00 0.00 0.00 179.25 177.65 1ndy s TRP 272 N -5.99 2.97 -0.09 0.00 -0.00 -0.25 -4.94 118.94 110.65 1ndy s TRP 272 Ca -0.12 -0.71 -0.30 0.00 -0.00 0.00 0.00 56.10 54.97 1ndy s TRP 272 Cb 0.25 -2.05 -0.03 0.00 -0.00 0.00 0.00 33.47 31.64 1ndy s TRP 272 CO 0.77 -0.38 1.20 -1.59 -0.00 0.00 0.00 176.95 176.95 1ndy s LYS 273 N 1.11 4.33 0.41 5.86 -2.85 -1.26 -4.54 119.74 122.80 1ndy s LYS 273 Ca 0.02 1.64 0.26 0.00 -1.00 0.00 0.00 55.97 56.89 1ndy s LYS 273 Cb -0.15 -3.61 1.42 0.00 -2.06 0.00 0.00 37.83 33.44 1ndy s LYS 273 CO -0.00 -0.50 1.79 -1.35 0.10 0.00 0.00 175.35 175.39 1ndy h PRO 274 N 7.60 0.00 -0.50 1.78 0.11 -1.94 -1.54 132.00 137.50 1ndy h PRO 274 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ndy h PRO 274 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ndy h PRO 274 CO 0.90 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 1ndy n ASP 275 N -2.44 2.89 -4.61 -2.05 5.75 -1.26 -4.90 116.55 109.93 1ndy n ASP 275 Ca -0.02 -1.98 -0.25 0.00 -0.01 0.00 0.00 54.79 52.54 1ndy n ASP 275 Cb 0.08 -0.34 -0.09 0.00 -1.03 0.00 0.00 41.12 39.74 1ndy n ASP 275 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ndy s THR 276 N -1.33 2.60 -0.22 2.12 2.01 -0.58 -5.11 115.64 115.13 1ndy s THR 276 Ca 0.37 -2.03 -0.34 0.00 0.31 0.00 0.00 61.69 59.99 1ndy s THR 276 Cb 0.19 -2.75 -0.11 0.00 0.01 0.00 0.00 72.50 69.84 1ndy s THR 276 CO 0.26 -0.22 2.02 -1.84 -0.69 0.00 0.00 174.62 174.15 1ndy n GLU 277 N -0.91 1.64 -2.06 4.92 -0.00 -1.26 -4.95 120.64 118.02 1ndy n GLU 277 Ca -0.04 0.54 -0.40 0.00 -0.00 0.00 0.00 57.16 57.26 1ndy n GLU 277 Cb 0.62 -2.59 -0.01 0.00 -0.00 0.00 0.00 31.44 29.46 1ndy n GLU 277 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1ndy s HIS 278 N 5.72 2.87 0.58 -1.84 5.65 -1.26 -4.85 115.29 122.16 1ndy s HIS 278 Ca 1.01 1.40 0.29 0.00 0.25 0.00 0.00 55.06 58.01 1ndy s HIS 278 Cb -0.75 -3.68 1.46 0.00 -1.18 0.00 0.00 32.58 28.43 1ndy s HIS 278 CO 0.50 -2.05 1.89 0.00 -0.65 0.00 0.00 174.74 174.43 1ndy h ALA 279 N 2.87 2.33 0.00 1.58 0.00 -1.95 -2.02 119.26 122.07 1ndy h ALA 279 Ca -0.49 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1ndy h ALA 279 Cb 1.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1ndy h ALA 279 CO 0.63 -0.80 -0.54 -0.24 0.00 0.00 0.00 179.25 178.30 1ndy h VAL 280 N 0.00 1.19 -0.82 0.00 3.04 -1.99 -0.28 116.25 117.39 1ndy h VAL 280 Ca 0.26 -1.99 -0.02 0.00 -1.01 0.00 0.00 66.70 63.93 1ndy h VAL 280 Cb 1.30 2.14 -0.04 0.00 -2.01 0.00 0.00 31.29 32.68 1ndy h VAL 280 CO -0.00 0.53 0.42 -0.29 -1.01 0.00 0.00 177.57 177.22 1ndy h ILE 281 N 0.00 1.25 -0.95 3.17 6.09 -1.73 0.21 117.51 125.54 1ndy h ILE 281 Ca -0.01 -0.67 0.01 0.00 -1.37 0.00 0.00 64.86 62.83 1ndy h ILE 281 Cb 1.09 0.17 -0.05 0.00 0.47 0.00 0.00 36.82 38.51 1ndy h ILE 281 CO 0.07 0.29 0.63 -0.09 -3.07 0.00 0.00 178.15 175.98 1ndy h ARG 282 N 1.16 1.24 -0.39 2.19 9.65 -1.25 -0.16 114.38 126.82 1ndy h ARG 282 Ca 0.29 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 1ndy h ARG 282 Cb 0.08 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 1ndy h ARG 282 CO -0.04 0.82 0.21 0.74 2.80 0.00 0.00 179.97 184.50 1ndy h PHE 283 N 1.28 0.54 -0.38 2.20 0.04 -0.65 0.56 116.94 120.53 1ndy h PHE 283 Ca 0.35 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.18 1ndy h PHE 283 Cb -0.14 -0.17 -0.08 0.00 2.20 0.00 0.00 35.95 37.76 1ndy h PHE 283 CO -0.01 0.43 -0.14 -0.22 -0.60 0.00 0.00 178.31 177.78 1ndy h LYS 284 N 0.50 -0.05 0.00 1.51 3.64 -0.24 0.13 116.57 122.07 1ndy h LYS 284 Ca 0.14 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1ndy h LYS 284 Cb 0.07 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ndy h LYS 284 CO -0.02 -0.04 -0.35 -0.91 -2.27 0.00 0.00 179.45 175.86 1ndy h ASN 285 N -0.06 0.00 -0.05 4.20 2.35 -0.44 0.13 115.58 121.71 1ndy h ASN 285 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1ndy h ASN 285 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1ndy h ASN 285 CO -0.42 0.35 0.00 0.47 -1.65 0.00 0.00 177.43 176.17 1ndy n ASP 286 N -4.03 0.57 -3.10 5.81 10.43 0.19 -4.93 116.55 121.49 1ndy n ASP 286 Ca -0.02 -1.48 -0.21 0.00 2.57 0.00 0.00 54.79 55.65 1ndy n ASP 286 Cb 0.40 -0.03 0.01 0.00 1.84 0.00 0.00 41.12 43.33 1ndy n ASP 286 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 1ndy n GLN 287 N -0.43 -3.57 -1.95 -1.24 -0.06 0.44 -4.94 117.38 105.63 1ndy n GLN 287 Ca 0.16 0.62 -0.36 0.00 -2.00 0.00 0.00 57.00 55.41 1ndy n GLN 287 Cb 0.16 -5.35 0.04 0.00 -4.06 0.00 0.00 30.24 21.03 1ndy n GLN 287 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1ndy s VAL 288 N -2.95 2.49 -0.77 1.69 1.01 -0.04 -4.97 120.40 116.87 1ndy s VAL 288 Ca 0.30 0.30 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1ndy s VAL 288 Cb -0.15 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.14 1ndy s VAL 288 CO 0.37 -0.06 1.29 0.21 0.00 0.00 0.00 175.10 176.90 1ndy s ASN 289 N -1.54 6.20 0.10 3.32 2.47 -1.26 -4.89 114.94 119.34 1ndy s ASN 289 Ca 0.79 -0.59 -0.04 0.00 0.42 0.00 0.00 52.86 53.44 1ndy s ASN 289 Cb -0.32 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 36.90 1ndy s ASN 289 CO 0.35 -1.79 0.10 -0.72 -3.72 0.00 0.00 177.10 171.32 1ndy s TYR 290 N 5.58 0.51 0.27 0.43 1.13 -1.26 -1.24 117.35 122.77 1ndy s TYR 290 Ca 0.36 -0.95 0.11 0.00 -1.41 0.00 0.00 57.07 55.18 1ndy s TYR 290 Cb -0.07 -0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.45 1ndy s TYR 290 CO 0.12 -0.52 -0.18 -1.54 -2.51 0.00 0.00 175.55 170.92 1ndy s SER 291 N -2.95 3.42 -0.09 -0.18 1.04 -0.34 -4.55 113.70 110.05 1ndy s SER 291 Ca 0.13 -1.04 -0.00 0.00 0.48 0.00 0.00 55.95 55.52 1ndy s SER 291 Cb 0.06 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1ndy s SER 291 CO -0.05 -0.02 -0.07 -0.76 0.98 0.00 0.00 173.24 173.32 1ndy s LEU 292 N -3.49 3.12 0.05 2.42 2.01 -1.26 -0.89 118.68 120.64 1ndy s LEU 292 Ca 0.29 -0.08 -0.06 0.00 0.01 0.00 0.00 54.13 54.29 1ndy s LEU 292 Cb -0.04 -1.69 -0.01 0.00 0.01 0.00 0.00 46.19 44.46 1ndy s LEU 292 CO 0.14 0.30 0.11 0.20 1.01 0.00 0.00 176.35 178.11 1ndy s ASN 293 N -0.46 0.18 0.19 2.29 0.01 -0.00 -4.71 114.94 112.45 1ndy s ASN 293 Ca 0.07 -0.59 0.14 0.00 -0.71 0.00 0.00 52.86 51.77 1ndy s ASN 293 Cb -0.12 0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 1ndy s ASN 293 CO 0.02 -0.57 1.24 0.71 -1.51 0.00 0.00 177.10 177.00 1ndy h THR 294 N 3.40 0.90 0.00 1.60 1.35 -1.85 -3.39 112.91 114.92 1ndy h THR 294 Ca -0.33 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1ndy h THR 294 Cb 1.18 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1ndy h THR 294 CO 0.53 0.51 0.00 -0.67 -0.25 0.00 0.00 175.52 175.64 1ndy n ASP 295 N -3.15 0.00 -3.29 5.36 4.64 -0.91 -4.29 116.55 114.91 1ndy n ASP 295 Ca -0.02 0.00 -0.22 0.00 -1.38 0.00 0.00 54.79 53.18 1ndy n ASP 295 Cb 0.80 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.80 1ndy n ASP 295 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 1ndy s ASP 296 N -0.92 1.06 0.45 1.67 1.01 -1.26 -0.79 116.67 117.88 1ndy s ASP 296 Ca 0.00 -2.48 0.26 0.00 0.71 0.00 0.00 52.55 51.04 1ndy s ASP 296 Cb 0.00 0.15 1.28 0.00 1.01 0.00 0.00 42.92 45.36 1ndy s ASP 296 CO 0.00 -0.18 1.77 1.55 0.21 0.00 0.00 175.17 178.52 1ndy h PRO 297 N 5.94 0.23 0.12 8.23 0.13 -1.64 0.28 132.00 145.29 1ndy h PRO 297 Ca 0.17 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1ndy h PRO 297 Cb 0.98 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ndy h PRO 297 CO 0.26 0.15 -0.06 1.25 -0.23 0.00 0.00 178.00 179.38 1ndy h LEU 298 N 0.23 -0.14 -0.46 1.56 5.85 -1.55 -0.05 115.31 120.76 1ndy h LEU 298 Ca 0.60 -0.26 -0.17 0.00 0.84 0.00 0.00 57.88 58.90 1ndy h LEU 298 Cb 1.86 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1ndy h LEU 298 CO -0.21 0.19 -0.77 0.40 -0.34 0.00 0.00 178.44 177.72 1ndy h ILE 299 N -0.49 1.50 -0.20 4.05 2.04 -1.62 -3.23 117.51 119.56 1ndy h ILE 299 Ca -0.02 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1ndy h ILE 299 Cb 0.39 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1ndy h ILE 299 CO 0.03 0.72 0.00 0.49 0.00 0.00 0.00 178.15 179.39 1ndy n PHE 300 N -3.69 0.25 -3.76 1.37 3.72 0.05 -1.35 117.46 114.06 1ndy n PHE 300 Ca -0.02 -0.12 -0.27 0.00 -0.05 0.00 0.00 57.45 56.99 1ndy n PHE 300 Cb 0.73 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.32 1ndy n PHE 300 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ndy n LYS 301 N 1.11 -6.48 -4.36 -1.08 5.02 -0.14 -4.82 118.16 107.40 1ndy n LYS 301 Ca 0.17 0.70 -0.18 0.00 -2.02 0.00 0.00 58.31 56.98 1ndy n LYS 301 Cb 0.53 -5.64 -0.10 0.00 -0.02 0.00 0.00 35.03 29.80 1ndy n LYS 301 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ndy s SER 302 N -3.44 1.98 0.40 4.39 1.04 -0.56 -5.06 113.70 112.45 1ndy s SER 302 Ca 0.55 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.75 1ndy s SER 302 Cb -0.26 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.81 1ndy s SER 302 CO 0.79 -0.54 0.11 0.42 0.98 0.00 0.00 173.24 175.00 1ndy s THR 303 N -3.39 0.74 0.32 2.02 -4.23 -1.26 -4.65 115.64 105.18 1ndy s THR 303 Ca 0.31 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.03 1ndy s THR 303 Cb 0.06 -2.43 0.20 0.00 1.34 0.00 0.00 72.50 71.68 1ndy s THR 303 CO 0.11 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.35 1ndy h LEU 304 N 1.84 0.00 -1.85 4.79 5.85 -1.97 -0.77 115.31 123.20 1ndy h LEU 304 Ca -0.37 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1ndy h LEU 304 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 1ndy h LEU 304 CO 0.60 0.25 -0.08 -0.78 -0.34 0.00 0.00 178.44 178.09 1ndy h ASP 305 N 0.00 0.00 -0.44 1.25 3.58 -1.97 -1.64 116.42 117.20 1ndy h ASP 305 Ca -0.00 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.52 1ndy h ASP 305 Cb 0.58 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.57 1ndy h ASP 305 CO 0.03 0.08 0.07 0.74 -2.88 0.00 0.00 179.24 177.28 1ndy h THR 306 N 0.00 0.74 -0.30 2.25 2.02 -1.53 0.53 112.91 116.62 1ndy h THR 306 Ca -0.00 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 66.95 1ndy h THR 306 Cb 0.15 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1ndy h THR 306 CO 0.01 0.04 -0.47 0.44 0.37 0.00 0.00 175.52 175.90 1ndy h ASP 307 N 0.19 0.89 0.13 4.18 5.19 -1.42 -1.47 116.42 124.11 1ndy h ASP 307 Ca 0.22 -0.44 -0.08 0.00 -0.62 0.00 0.00 57.03 56.11 1ndy h ASP 307 Cb 0.29 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1ndy h ASP 307 CO -0.30 1.21 -0.27 1.88 -3.12 0.00 0.00 179.24 178.64 1ndy h TYR 308 N 0.64 0.27 -0.35 4.55 -1.99 -0.86 -1.40 116.97 117.83 1ndy h TYR 308 Ca 0.03 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.63 1ndy h TYR 308 Cb 1.05 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 1ndy h TYR 308 CO 0.06 0.50 -0.15 1.96 -0.00 0.00 0.00 178.16 180.53 1ndy h GLN 309 N 0.22 0.63 -0.33 4.88 1.08 0.23 0.33 115.11 122.15 1ndy h GLN 309 Ca 0.03 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1ndy h GLN 309 Cb 0.60 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1ndy h GLN 309 CO 0.04 0.75 0.18 1.98 -0.95 0.00 0.00 178.83 180.83 1ndy h MET 310 N 0.57 0.46 -0.09 1.46 4.05 -0.90 0.63 114.93 121.12 1ndy h MET 310 Ca 0.10 -0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.27 1ndy h MET 310 Cb 0.58 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1ndy h MET 310 CO 0.04 0.40 -0.72 1.79 0.23 0.00 0.00 176.91 178.64 1ndy h THR 311 N 0.41 1.36 0.93 -0.77 1.35 -1.10 0.36 112.91 115.46 1ndy h THR 311 Ca 0.12 -2.10 -0.04 0.00 -0.55 0.00 0.00 66.41 63.83 1ndy h THR 311 Cb 0.07 2.08 0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1ndy h THR 311 CO -0.02 0.64 -0.49 0.50 -0.25 0.00 0.00 175.52 175.90 1ndy h LYS 312 N 0.31 -1.25 0.00 4.72 3.64 -0.22 -2.22 116.57 121.55 1ndy h LYS 312 Ca -0.03 0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1ndy h LYS 312 Cb 1.30 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 1ndy h LYS 312 CO 0.13 -0.84 -0.28 0.87 -2.27 0.00 0.00 179.45 177.06 1ndy h LYS 313 N -1.30 0.00 0.00 1.90 1.79 -0.95 -1.97 116.57 116.04 1ndy h LYS 313 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1ndy h LYS 313 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1ndy h LYS 313 CO 0.18 0.28 -1.04 -0.25 -1.08 0.00 0.00 179.45 177.55 1ndy n ASP 314 N -3.55 1.24 0.00 0.86 10.43 0.13 -4.66 116.55 121.00 1ndy n ASP 314 Ca -0.01 -0.44 0.00 0.00 2.57 0.00 0.00 54.79 56.92 1ndy n ASP 314 Cb 0.43 1.27 0.00 0.00 1.84 0.00 0.00 41.12 44.66 1ndy n ASP 314 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1ndy n MET 315 N -1.59 0.72 -0.93 -1.24 2.81 -1.06 -5.03 117.12 110.81 1ndy n MET 315 Ca 0.00 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 1ndy n MET 315 Cb 0.26 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 1ndy n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ndy n GLY 316 N -0.13 0.46 3.76 3.03 0.00 -0.74 -4.93 105.19 106.65 1ndy n GLY 316 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1ndy n GLY 316 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ndy s PHE 317 N -2.00 3.94 0.44 1.61 0.40 -0.87 -4.99 117.98 116.51 1ndy s PHE 317 Ca 0.00 1.80 0.08 0.00 -0.60 0.00 0.00 56.93 58.21 1ndy s PHE 317 Cb 0.00 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.64 1ndy s PHE 317 CO 0.00 0.46 0.51 0.95 0.70 0.00 0.00 175.22 177.84 1ndy s THR 318 N -1.20 2.71 0.19 0.64 -4.23 -1.26 -4.51 115.64 107.99 1ndy s THR 318 Ca 0.40 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.64 1ndy s THR 318 Cb -0.24 -2.87 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1ndy s THR 318 CO 0.29 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.08 1ndy h GLU 319 N 0.75 0.53 -0.69 3.99 4.81 -1.95 -2.25 114.58 119.78 1ndy h GLU 319 Ca -0.39 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1ndy h GLU 319 Cb 1.28 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1ndy h GLU 319 CO 0.50 0.35 0.44 0.93 -0.73 0.00 0.00 179.01 180.51 1ndy h GLU 320 N 0.55 0.91 -0.22 1.92 3.07 -1.99 -0.11 114.58 118.71 1ndy h GLU 320 Ca 0.26 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.88 1ndy h GLU 320 Cb 0.19 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1ndy h GLU 320 CO -0.19 0.61 -0.57 1.49 -1.40 0.00 0.00 179.01 178.96 1ndy h GLU 321 N 0.93 0.77 -0.60 2.33 4.57 -1.86 0.64 114.58 121.37 1ndy h GLU 321 Ca 0.25 -0.54 0.10 0.00 -1.18 0.00 0.00 59.36 57.99 1ndy h GLU 321 Cb -0.09 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.51 1ndy h GLU 321 CO -0.05 1.16 0.20 0.74 -1.18 0.00 0.00 179.01 179.88 1ndy h PHE 322 N 0.51 0.35 -0.65 0.92 0.05 -0.73 -0.31 116.94 117.07 1ndy h PHE 322 Ca -0.01 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.81 1ndy h PHE 322 Cb 1.18 -0.07 -0.03 0.00 2.00 0.00 0.00 35.95 39.04 1ndy h PHE 322 CO 0.08 0.07 0.40 0.87 -0.18 0.00 0.00 178.31 179.56 1ndy h LYS 323 N 0.37 0.88 -0.29 1.51 1.57 -1.03 -2.46 116.57 117.13 1ndy h LYS 323 Ca 0.30 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1ndy h LYS 323 Cb 0.39 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1ndy h LYS 323 CO -0.32 0.62 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.04 1ndy h ARG 324 N 0.89 0.03 0.00 3.15 2.43 0.16 -1.99 114.38 119.04 1ndy h ARG 324 Ca 0.24 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1ndy h ARG 324 Cb -0.05 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1ndy h ARG 324 CO -0.05 0.02 -0.13 1.37 -1.51 0.00 0.00 179.97 179.67 1ndy h LEU 325 N 0.03 0.00 -0.67 3.80 -0.00 -1.04 -0.48 115.31 116.95 1ndy h LEU 325 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.88 1ndy h LEU 325 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1ndy h LEU 325 CO -0.27 0.13 -0.43 0.78 -0.00 0.00 0.00 178.44 178.66 1ndy h ASN 326 N 0.00 0.57 -0.01 0.17 2.35 -1.18 0.16 115.58 117.64 1ndy h ASN 326 Ca -0.00 -0.26 -0.14 0.00 -0.55 0.00 0.00 56.30 55.35 1ndy h ASN 326 Cb 0.91 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1ndy h ASN 326 CO 0.02 0.93 -0.45 0.40 -1.65 0.00 0.00 177.43 176.67 1ndy h ILE 327 N 0.44 1.31 -0.31 2.81 1.08 -0.85 -1.10 117.51 120.89 1ndy h ILE 327 Ca 0.03 -1.64 -0.05 0.00 -0.39 0.00 0.00 64.86 62.81 1ndy h ILE 327 Cb 0.93 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1ndy h ILE 327 CO 0.08 0.51 -0.04 0.78 -0.69 0.00 0.00 178.15 178.80 1ndy h ASN 328 N 0.44 0.46 -0.62 1.72 2.35 -0.75 -0.32 115.58 118.86 1ndy h ASN 328 Ca 0.03 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1ndy h ASN 328 Cb 0.96 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1ndy h ASN 328 CO 0.09 0.56 0.06 0.00 -1.65 0.00 0.00 177.43 176.49 1ndy h ALA 329 N 1.50 0.83 -0.69 -0.83 0.00 -0.30 -0.88 119.26 118.89 1ndy h ALA 329 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ndy h ALA 329 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ndy h ALA 329 CO 0.02 0.62 0.17 0.00 0.00 0.00 0.00 179.25 180.05 1ndy h ALA 330 N 1.01 0.91 0.00 0.00 0.00 -1.00 -1.37 119.26 118.81 1ndy h ALA 330 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ndy h ALA 330 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ndy h ALA 330 CO 0.02 0.63 -0.13 0.87 0.00 0.00 0.00 179.25 180.64 1ndy h LYS 331 N 1.04 0.00 -0.20 0.00 1.57 -0.77 -2.11 116.57 116.10 1ndy h LYS 331 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1ndy h LYS 331 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ndy h LYS 331 CO 0.00 0.13 0.00 0.43 -0.57 0.00 0.00 179.45 179.44 1ndy n SER 332 N -3.83 2.93 -4.58 0.86 7.64 -0.36 -4.97 113.62 111.30 1ndy n SER 332 Ca -0.02 -1.92 -0.33 0.00 1.01 0.00 0.00 58.87 57.61 1ndy n SER 332 Cb 0.23 -0.12 0.13 0.00 -1.01 0.00 0.00 64.21 63.44 1ndy n SER 332 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ndy n SER 333 N 1.20 -0.33 -1.93 6.43 3.41 -0.56 -4.94 113.62 116.91 1ndy n SER 333 Ca 0.17 0.46 -0.17 0.00 -0.26 0.00 0.00 58.87 59.08 1ndy n SER 333 Cb 0.55 -1.38 0.16 0.00 -0.26 0.00 0.00 64.21 63.28 1ndy n SER 333 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ndy n PHE 334 N -3.58 2.35 -1.92 7.33 3.72 -1.26 -4.99 117.46 119.12 1ndy n PHE 334 Ca 0.11 -1.47 -0.30 0.00 -0.05 0.00 0.00 57.45 55.74 1ndy n PHE 334 Cb 0.52 -0.77 0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1ndy n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1ndy s LEU 335 N -2.56 3.11 0.63 4.37 2.01 -1.26 -4.91 118.68 120.06 1ndy s LEU 335 Ca 0.45 1.26 -0.18 0.00 0.01 0.00 0.00 54.13 55.68 1ndy s LEU 335 Cb 0.37 -4.20 -0.05 0.00 0.01 0.00 0.00 46.19 42.33 1ndy s LEU 335 CO 0.09 -1.06 0.81 -2.65 1.01 0.00 0.00 176.35 174.54 1ndy n PRO 336 N -2.84 0.67 -0.32 1.29 -0.02 -1.26 -4.68 135.00 127.84 1ndy n PRO 336 Ca 0.06 0.27 0.18 0.00 -2.02 0.00 0.00 63.50 61.99 1ndy n PRO 336 Cb 0.55 -2.02 0.36 0.00 -0.02 0.00 0.00 33.50 32.37 1ndy n PRO 336 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ndy h GLU 337 N 0.21 0.10 -0.46 -0.52 4.57 -1.99 -0.61 114.58 115.88 1ndy h GLU 337 Ca -0.47 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.66 1ndy h GLU 337 Cb 1.37 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 1ndy h GLU 337 CO 0.48 0.06 0.14 0.38 -1.18 0.00 0.00 179.01 178.90 1ndy h ASP 338 N 0.10 0.67 0.48 1.04 -0.00 -2.00 -1.36 116.42 115.35 1ndy h ASP 338 Ca 0.64 -0.21 -0.09 0.00 -0.00 0.00 0.00 57.03 57.37 1ndy h ASP 338 Cb 1.42 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 40.56 1ndy h ASP 338 CO -0.77 0.70 -0.44 -0.33 -0.00 0.00 0.00 179.24 178.40 1ndy h GLU 339 N 0.60 0.00 0.14 4.15 5.08 -1.58 -2.16 114.58 120.81 1ndy h GLU 339 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1ndy h GLU 339 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1ndy h GLU 339 CO -0.00 0.44 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.16 1ndy h LYS 340 N 0.00 -0.18 -0.81 2.33 3.64 -1.09 -0.01 116.57 120.46 1ndy h LYS 340 Ca -0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1ndy h LYS 340 Cb 0.80 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.60 1ndy h LYS 340 CO 0.06 0.20 0.53 -0.22 -2.27 0.00 0.00 179.45 177.74 1ndy h LYS 341 N -0.59 0.67 -0.50 1.90 3.64 -1.13 0.02 116.57 120.56 1ndy h LYS 341 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ndy h LYS 341 Cb 0.46 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1ndy h LYS 341 CO 0.03 0.44 0.19 0.93 -2.27 0.00 0.00 179.45 178.78 1ndy h GLU 342 N 0.69 0.75 -0.44 1.90 5.08 -1.32 0.26 114.58 121.49 1ndy h GLU 342 Ca 0.38 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1ndy h GLU 342 Cb 0.55 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1ndy h GLU 342 CO -0.15 0.68 0.24 1.25 -1.00 0.00 0.00 179.01 180.02 1ndy h LEU 343 N 0.67 0.36 -0.50 1.33 5.85 -0.52 -2.02 115.31 120.47 1ndy h LEU 343 Ca 0.17 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1ndy h LEU 343 Cb 0.21 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1ndy h LEU 343 CO -0.01 0.26 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.17 1ndy h LEU 344 N 0.48 0.97 -0.83 2.25 3.38 -0.67 -0.37 115.31 120.51 1ndy h LEU 344 Ca 0.18 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.96 1ndy h LEU 344 Cb 0.06 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.44 1ndy h LEU 344 CO -0.11 1.10 0.38 -0.78 0.09 0.00 0.00 178.44 179.12 1ndy h ASP 345 N 0.82 0.40 0.59 -0.43 3.58 -0.45 0.14 116.42 121.07 1ndy h ASP 345 Ca 0.13 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 1ndy h ASP 345 Cb 0.67 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1ndy h ASP 345 CO 0.05 0.13 -0.29 0.25 -2.88 0.00 0.00 179.24 176.49 1ndy h LEU 346 N 0.51 -0.69 -0.03 2.28 5.85 -0.59 -2.23 115.31 120.40 1ndy h LEU 346 Ca 0.47 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.25 1ndy h LEU 346 Cb 0.75 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1ndy h LEU 346 CO -0.42 -0.49 -0.28 -0.07 -0.34 0.00 0.00 178.44 176.84 1ndy h LEU 347 N -0.80 -0.84 -1.17 2.25 -0.00 -0.80 -0.31 115.31 113.64 1ndy h LEU 347 Ca -0.08 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 57.97 1ndy h LEU 347 Cb 0.62 0.35 -0.05 0.00 -0.00 0.00 0.00 40.66 41.57 1ndy h LEU 347 CO 0.13 -0.34 0.57 1.88 -0.00 0.00 0.00 178.44 180.68 1ndy h TYR 348 N -0.41 1.02 0.40 1.13 0.05 -0.72 0.11 116.97 118.56 1ndy h TYR 348 Ca 0.07 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1ndy h TYR 348 Cb 0.51 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1ndy h TYR 348 CO -0.33 0.56 -0.19 0.87 -1.05 0.00 0.00 178.16 178.01 1ndy h LYS 349 N 1.02 -0.52 -0.91 4.88 6.56 -1.34 -2.49 116.57 123.77 1ndy h LYS 349 Ca 0.37 0.04 0.21 0.00 -1.06 0.00 0.00 60.65 60.21 1ndy h LYS 349 Cb 0.15 0.12 -0.07 0.00 -0.57 0.00 0.00 32.23 31.86 1ndy h LYS 349 CO -0.13 -0.35 0.61 0.00 -2.06 0.00 0.00 179.45 177.52 1ndy h ALA 350 N 0.06 2.27 -0.01 3.86 0.00 -0.37 -2.80 119.26 122.27 1ndy h ALA 350 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ndy h ALA 350 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ndy h ALA 350 CO 0.09 -0.56 0.00 0.66 0.00 0.00 0.00 179.25 179.44 1ndy n TYR 351 N -4.50 0.01 0.25 0.00 0.53 0.33 -5.00 117.16 108.79 1ndy n TYR 351 Ca 0.20 -0.01 0.03 0.00 -1.02 0.00 0.00 57.90 57.10 1ndy n TYR 351 Cb 0.74 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 39.07 1ndy n TYR 351 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38