#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1llu n LEU 3 N 0.00 0.00 0.30 1.09 4.32 -1.26 -4.71 117.00 116.73 1llu n LEU 3 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1llu n LEU 3 Cb 0.00 0.00 0.56 0.00 -1.62 0.00 0.00 43.42 42.36 1llu n LEU 3 CO 0.00 0.00 1.03 -0.65 -1.22 0.00 0.00 177.39 176.55 1llu h PRO 4 N 2.19 0.00 0.00 3.23 0.11 -2.02 -3.44 132.00 132.07 1llu h PRO 4 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1llu h PRO 4 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1llu h PRO 4 CO 0.00 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 178.73 1llu n GLN 5 N -2.62 0.00 -3.67 1.05 7.27 -1.26 -4.83 117.38 113.31 1llu n GLN 5 Ca -0.01 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.94 1llu n GLN 5 Cb 0.49 -3.01 -0.08 0.00 2.41 0.00 0.00 30.24 30.04 1llu n GLN 5 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1llu s THR 6 N -1.81 -0.00 0.08 1.69 -1.32 -1.26 -3.15 115.64 109.86 1llu s THR 6 Ca 0.00 0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1llu s THR 6 Cb 0.00 -0.83 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 1llu s THR 6 CO 0.00 0.01 0.02 0.00 -2.21 0.00 0.00 174.62 172.43 1llu s MET 7 N 0.77 0.74 0.17 7.08 0.23 0.21 -4.83 119.30 123.67 1llu s MET 7 Ca -0.04 -1.27 -0.02 0.00 -1.03 0.00 0.00 55.69 53.33 1llu s MET 7 Cb -0.05 0.23 -0.05 0.00 -1.53 0.00 0.00 34.83 33.44 1llu s MET 7 CO -0.06 -0.17 0.36 -1.59 -2.03 0.00 0.00 175.02 171.53 1llu s LYS 8 N -3.96 3.54 -0.29 3.16 -2.85 -1.26 0.20 119.74 118.28 1llu s LYS 8 Ca 0.13 -0.28 -0.20 0.00 -1.00 0.00 0.00 55.97 54.61 1llu s LYS 8 Cb 0.08 -2.87 0.13 0.00 -2.06 0.00 0.00 37.83 33.11 1llu s LYS 8 CO -0.06 0.45 0.99 0.00 0.10 0.00 0.00 175.35 176.83 1llu s ALA 9 N -1.76 -2.11 -0.66 0.59 0.00 -1.24 -3.09 121.76 113.48 1llu s ALA 9 Ca 0.39 2.06 -0.26 0.00 0.00 0.00 0.00 51.96 54.14 1llu s ALA 9 Cb -0.12 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1llu s ALA 9 CO 0.28 -0.29 1.73 0.00 0.00 0.00 0.00 175.76 177.47 1llu s ALA 10 N 0.82 2.29 0.15 0.00 0.00 -0.78 -2.52 121.76 121.71 1llu s ALA 10 Ca -0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1llu s ALA 10 Cb -0.04 -4.31 -0.05 0.00 0.00 0.00 0.00 23.12 18.72 1llu s ALA 10 CO -0.11 -3.80 0.35 0.08 0.00 0.00 0.00 175.76 172.28 1llu s VAL 11 N 8.31 5.23 -0.22 0.00 1.01 -1.11 -4.37 120.40 129.25 1llu s VAL 11 Ca 0.60 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 1llu s VAL 11 Cb -0.11 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1llu s VAL 11 CO 0.18 -0.04 0.00 -0.69 0.00 0.00 0.00 175.10 174.55 1llu s VAL 12 N -1.72 3.78 -0.34 2.92 1.01 0.39 -2.11 120.40 124.33 1llu s VAL 12 Ca 0.39 -0.36 0.13 0.00 0.00 0.00 0.00 61.98 62.14 1llu s VAL 12 Cb -0.12 -2.73 -0.16 0.00 0.00 0.00 0.00 36.38 33.36 1llu s VAL 12 CO 0.27 0.40 0.42 1.41 0.00 0.00 0.00 175.10 177.60 1llu n HIS 13 N 4.70 0.00 -3.69 5.22 8.25 -1.26 -2.44 115.22 126.00 1llu n HIS 13 Ca -0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1llu n HIS 13 Cb 0.51 -0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 1llu n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1llu s ALA 14 N -2.49 -1.24 -0.62 -1.41 0.00 -1.26 -4.90 121.76 109.84 1llu s ALA 14 Ca 0.01 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 1llu s ALA 14 Cb 0.09 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 1llu s ALA 14 CO 0.52 -0.26 1.65 0.71 0.00 0.00 0.00 175.76 178.38 1llu s TYR 15 N -0.20 1.92 0.00 0.00 4.12 -1.26 -1.96 117.35 119.97 1llu s TYR 15 Ca -0.04 0.53 0.00 0.00 0.02 0.00 0.00 57.07 57.58 1llu s TYR 15 Cb -0.03 -4.27 0.00 0.00 -1.52 0.00 0.00 41.96 36.14 1llu s TYR 15 CO 0.03 -2.23 0.00 0.41 0.02 0.00 0.00 175.55 173.77 1llu n GLY 16 N 5.53 2.43 3.57 0.71 0.00 -0.16 -4.83 105.19 112.45 1llu n GLY 16 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1llu n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1llu s ALA 17 N -2.19 3.31 0.14 4.61 0.00 -0.83 -5.00 121.76 121.79 1llu s ALA 17 Ca 0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1llu s ALA 17 Cb 0.00 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.42 1llu s ALA 17 CO 0.00 -1.87 0.63 -0.35 0.00 0.00 0.00 175.76 174.17 1llu n PRO 18 N 6.86 0.00 -0.53 0.00 -0.04 -1.26 -4.48 135.00 135.54 1llu n PRO 18 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 1llu n PRO 18 Cb 0.48 -1.06 0.23 0.00 -0.04 0.00 0.00 33.50 33.11 1llu n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1llu n LEU 19 N 1.74 -2.08 -3.64 1.53 4.32 -1.26 -4.89 117.00 112.73 1llu n LEU 19 Ca 0.17 -0.21 -0.16 0.00 -0.02 0.00 0.00 56.01 55.79 1llu n LEU 19 Cb 0.19 -1.11 -0.15 0.00 -1.62 0.00 0.00 43.42 40.73 1llu n LEU 19 CO 0.54 -3.30 -0.20 0.00 -1.22 0.00 0.00 177.39 173.20 1llu s ARG 20 N -4.01 0.09 -0.08 3.23 1.70 -0.89 -4.94 118.95 114.04 1llu s ARG 20 Ca 0.63 0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 56.15 1llu s ARG 20 Cb -0.20 -0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 33.75 1llu s ARG 20 CO 0.65 -0.36 1.76 0.42 -1.08 0.00 0.00 175.30 176.69 1llu s ILE 21 N 2.33 3.44 -0.13 4.99 1.09 -1.26 -2.76 121.20 128.89 1llu s ILE 21 Ca 0.03 0.52 -0.04 0.00 -1.10 0.00 0.00 60.65 60.06 1llu s ILE 21 Cb -0.13 -3.38 0.06 0.00 -1.06 0.00 0.00 42.46 37.96 1llu s ILE 21 CO -0.08 -0.09 0.16 -1.83 -0.10 0.00 0.00 174.94 173.00 1llu s GLU 22 N 4.46 0.08 -0.37 2.79 -1.05 -1.05 -4.90 118.70 118.66 1llu s GLU 22 Ca 0.78 0.32 -0.34 0.00 -0.15 0.00 0.00 54.97 55.58 1llu s GLU 22 Cb -0.33 -0.87 -0.11 0.00 -0.44 0.00 0.00 34.13 32.37 1llu s GLU 22 CO 0.32 -0.48 2.22 -1.91 0.95 0.00 0.00 175.26 176.36 1llu n GLU 23 N 5.31 1.08 -4.63 -4.83 2.13 -1.26 -3.71 120.64 114.74 1llu n GLU 23 Ca -0.05 0.28 -0.28 0.00 0.66 0.00 0.00 57.16 57.77 1llu n GLU 23 Cb 0.50 -2.51 -0.11 0.00 0.27 0.00 0.00 31.44 29.59 1llu n GLU 23 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1llu s VAL 24 N 7.62 1.89 0.54 6.31 -7.23 0.54 -4.85 120.40 125.22 1llu s VAL 24 Ca 1.09 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 1llu s VAL 24 Cb -0.82 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 1llu s VAL 24 CO 0.47 0.00 1.34 -0.54 -0.31 0.00 0.00 175.10 176.06 1llu s LYS 25 N -3.73 3.17 -0.31 4.82 1.02 -1.26 0.68 119.74 124.13 1llu s LYS 25 Ca 0.32 2.19 -0.21 0.00 0.02 0.00 0.00 55.97 58.28 1llu s LYS 25 Cb 0.09 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 35.14 1llu s LYS 25 CO 0.16 -1.15 0.69 0.08 -0.92 0.00 0.00 175.35 174.22 1llu s VAL 26 N -1.33 4.88 0.77 3.17 1.01 -1.19 -4.64 120.40 123.07 1llu s VAL 26 Ca 0.71 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 1llu s VAL 26 Cb -0.39 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 31.97 1llu s VAL 26 CO 0.46 -0.20 1.03 -2.65 0.00 0.00 0.00 175.10 173.74 1llu n PRO 27 N 6.02 0.32 -4.50 2.72 -0.02 -1.26 -4.86 135.00 133.42 1llu n PRO 27 Ca 0.01 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 1llu n PRO 27 Cb 0.49 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1llu n PRO 27 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1llu s LEU 28 N -4.05 2.67 -0.53 2.45 1.43 -1.26 -5.00 118.68 114.39 1llu s LEU 28 Ca 0.72 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 1llu s LEU 28 Cb -0.31 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1llu s LEU 28 CO 0.52 0.10 2.44 -2.65 0.23 0.00 0.00 176.35 176.99 1llu n PRO 29 N 3.97 0.96 0.00 1.29 -0.02 -1.26 -4.96 135.00 134.97 1llu n PRO 29 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1llu n PRO 29 Cb 0.52 -3.26 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 1llu n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1llu n GLY 30 N 6.06 -1.21 3.78 -1.23 0.00 -1.26 -4.14 105.19 107.18 1llu n GLY 30 Ca 0.40 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1llu n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1llu s PRO 31 N -2.98 4.10 -1.08 1.61 0.02 -1.26 -2.32 135.00 133.08 1llu s PRO 31 Ca 0.00 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1llu s PRO 31 Cb 0.00 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.55 1llu s PRO 31 CO 0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1llu n GLY 32 N 0.57 1.16 3.45 0.52 0.00 -0.62 -4.84 105.19 105.42 1llu n GLY 32 Ca 0.02 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1llu n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1llu s GLN 33 N -2.80 1.71 0.07 1.61 -0.21 -0.98 -4.33 119.66 114.72 1llu s GLN 33 Ca 0.00 -1.98 -0.18 0.00 0.02 0.00 0.00 55.36 53.22 1llu s GLN 33 Cb 0.00 -0.66 0.04 0.00 1.00 0.00 0.00 33.01 33.39 1llu s GLN 33 CO 0.00 -0.32 0.41 0.14 -2.12 0.00 0.00 175.29 173.41 1llu s VAL 34 N -3.35 0.06 -0.09 1.09 -7.23 -0.96 0.96 120.40 110.88 1llu s VAL 34 Ca 0.32 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 1llu s VAL 34 Cb 0.06 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 1llu s VAL 34 CO 0.15 -0.27 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.40 1llu s LEU 35 N -2.25 3.24 -0.12 1.32 2.96 0.27 -1.44 118.68 122.67 1llu s LEU 35 Ca -0.03 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1llu s LEU 35 Cb 0.00 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1llu s LEU 35 CO -0.05 0.32 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.38 1llu s VAL 36 N -0.57 2.03 -0.41 1.68 1.01 0.54 0.70 120.40 125.38 1llu s VAL 36 Ca 0.09 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1llu s VAL 36 Cb -0.12 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1llu s VAL 36 CO 0.02 0.55 0.88 -0.75 0.00 0.00 0.00 175.10 175.80 1llu s LYS 37 N 0.58 3.67 -0.25 2.72 2.20 0.10 -0.96 119.74 127.80 1llu s LYS 37 Ca -0.13 0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 1llu s LYS 37 Cb -0.17 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.27 1llu s LYS 37 CO 0.03 -1.04 1.68 0.42 -0.36 0.00 0.00 175.35 176.08 1llu s ILE 38 N 3.48 3.61 -0.11 5.43 -1.09 0.81 -1.73 121.20 131.60 1llu s ILE 38 Ca 0.35 0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 59.33 1llu s ILE 38 Cb -0.12 -3.67 -0.27 0.00 -1.58 0.00 0.00 42.46 36.82 1llu s ILE 38 CO 0.21 -0.33 0.46 -0.33 -1.23 0.00 0.00 174.94 173.73 1llu h GLU 39 N 11.41 0.27 -4.15 2.79 4.39 -0.85 -3.43 114.58 125.01 1llu h GLU 39 Ca -0.34 -0.45 -0.12 0.00 0.34 0.00 0.00 59.36 58.78 1llu h GLU 39 Cb 1.16 0.17 -0.16 0.00 -0.10 0.00 0.00 28.75 29.82 1llu h GLU 39 CO 1.01 1.22 -0.64 0.00 -1.16 0.00 0.00 179.01 179.43 1llu s ALA 40 N -2.53 0.37 -0.26 3.43 0.00 -0.71 -1.82 121.76 120.25 1llu s ALA 40 Ca -0.21 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1llu s ALA 40 Cb 0.06 0.28 0.14 0.00 0.00 0.00 0.00 23.12 23.59 1llu s ALA 40 CO 0.77 -0.36 0.50 0.45 0.00 0.00 0.00 175.76 177.12 1llu s SER 41 N -2.74 -0.60 0.52 0.00 0.15 -0.58 -0.57 113.70 109.88 1llu s SER 41 Ca 0.04 0.89 -0.18 0.00 0.70 0.00 0.00 55.95 57.40 1llu s SER 41 Cb 0.06 1.70 -0.07 0.00 -1.71 0.00 0.00 66.02 66.00 1llu s SER 41 CO -0.09 -0.25 1.02 -0.83 1.20 0.00 0.00 173.24 174.28 1llu s GLY 42 N 2.72 2.24 -0.35 9.45 0.00 -0.70 0.65 107.32 121.33 1llu s GLY 42 Ca 0.07 0.39 -0.10 0.00 0.00 0.00 0.00 44.72 45.08 1llu s GLY 42 CO -0.17 0.69 0.17 0.14 0.00 0.00 0.00 173.10 173.93 1llu s VAL 43 N -2.35 4.40 -0.00 1.40 1.01 0.01 -4.36 120.40 120.51 1llu s VAL 43 Ca 0.63 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1llu s VAL 43 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1llu s VAL 43 CO 0.28 -0.15 0.20 0.00 0.00 0.00 0.00 175.10 175.43 1llu h HIS 45 N 3.80 0.00 0.00 0.00 2.76 -2.00 0.41 115.15 120.12 1llu h HIS 45 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 1llu h HIS 45 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1llu h HIS 45 CO 0.67 0.00 0.00 1.15 -1.30 0.00 0.00 177.93 178.45 1llu h THR 46 N 0.00 0.00 -0.25 6.26 2.02 -2.00 -2.29 112.91 116.65 1llu h THR 46 Ca 0.18 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 1llu h THR 46 Cb 0.91 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1llu h THR 46 CO -0.00 0.00 -0.37 0.44 0.37 0.00 0.00 175.52 175.96 1llu h ASP 47 N 0.00 0.59 0.05 4.18 3.32 -0.57 -1.83 116.42 122.16 1llu h ASP 47 Ca 0.00 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1llu h ASP 47 Cb 0.38 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1llu h ASP 47 CO 0.00 0.90 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.33 1llu h LEU 48 N 0.47 -0.06 -2.04 1.55 4.07 -1.53 -2.35 115.31 115.42 1llu h LEU 48 Ca 0.05 -0.26 0.11 0.00 0.08 0.00 0.00 57.88 57.86 1llu h LEU 48 Cb 0.86 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.59 1llu h LEU 48 CO 0.07 0.24 0.32 0.45 -1.08 0.00 0.00 178.44 178.43 1llu h HIS 49 N -0.35 0.00 0.05 1.13 3.86 -1.49 0.14 115.15 118.50 1llu h HIS 49 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1llu h HIS 49 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1llu h HIS 49 CO 0.02 0.00 -0.03 0.00 0.86 0.00 0.00 177.93 178.79 1llu h ALA 50 N 1.74 -0.07 -0.00 2.45 0.00 -0.95 -1.04 119.26 121.39 1llu h ALA 50 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1llu h ALA 50 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1llu h ALA 50 CO -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 1llu n ALA 51 N -2.51 2.59 -0.29 0.00 0.00 -0.92 -2.95 120.51 116.44 1llu n ALA 51 Ca -0.08 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.24 1llu n ALA 51 Cb 0.31 -1.45 0.21 0.00 0.00 0.00 0.00 19.45 18.52 1llu n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1llu n GLU 52 N -1.15 2.89 -4.08 0.00 4.07 0.01 -0.98 120.64 121.40 1llu n GLU 52 Ca 0.16 -2.28 -0.33 0.00 -0.06 0.00 0.00 57.16 54.65 1llu n GLU 52 Cb 0.24 -1.40 -0.05 0.00 -0.06 0.00 0.00 31.44 30.16 1llu n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1llu n GLY 53 N 0.75 -0.43 0.17 8.31 0.00 -1.13 -4.72 105.19 108.15 1llu n GLY 53 Ca 0.16 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1llu n GLY 53 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1llu h ASP 54 N -0.81 0.00 -2.27 1.61 5.19 -1.47 -3.45 116.42 115.22 1llu h ASP 54 Ca -0.48 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.35 1llu h ASP 54 Cb 1.32 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.72 1llu h ASP 54 CO 0.71 0.00 -0.67 0.26 -3.12 0.00 0.00 179.24 176.42 1llu s TRP 55 N -3.44 2.62 0.11 4.55 0.51 -1.26 -4.97 118.94 117.07 1llu s TRP 55 Ca 0.03 -0.24 -0.33 0.00 -2.12 0.00 0.00 56.10 53.44 1llu s TRP 55 Cb 0.09 -1.17 -0.13 0.00 -0.81 0.00 0.00 33.47 31.46 1llu s TRP 55 CO 0.41 0.63 1.53 -1.35 -0.51 0.00 0.00 176.95 177.65 1llu h PRO 56 N 2.04 -0.55 -5.20 4.98 0.11 -1.99 -3.24 132.00 128.14 1llu h PRO 56 Ca -0.44 0.04 -0.68 0.00 0.11 0.00 0.00 66.00 65.03 1llu h PRO 56 Cb 1.25 0.13 -0.16 0.00 0.11 0.00 0.00 31.00 32.32 1llu h PRO 56 CO 0.60 -0.37 1.04 0.14 -0.21 0.00 0.00 178.00 179.20 1llu s VAL 57 N -5.59 4.61 0.52 3.15 -7.23 -1.26 -5.01 120.40 109.58 1llu s VAL 57 Ca -0.15 -1.56 -0.19 0.00 -1.81 0.00 0.00 61.98 58.27 1llu s VAL 57 Cb 0.07 -4.85 -0.07 0.00 0.56 0.00 0.00 36.38 32.09 1llu s VAL 57 CO 0.58 -1.61 1.07 -0.54 -0.31 0.00 0.00 175.10 174.30 1llu s LYS 58 N 3.00 3.57 0.11 4.82 1.02 -1.22 -4.98 119.74 126.04 1llu s LYS 58 Ca 0.37 1.43 -0.31 0.00 0.02 0.00 0.00 55.97 57.48 1llu s LYS 58 Cb -0.04 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.13 1llu s LYS 58 CO -0.08 -0.64 1.62 -2.14 -0.92 0.00 0.00 175.35 173.19 1llu s PRO 59 N -3.36 4.20 0.21 -1.68 0.02 -1.26 -4.94 135.00 128.19 1llu s PRO 59 Ca 0.69 2.35 -0.32 0.00 0.02 0.00 0.00 61.00 63.73 1llu s PRO 59 Cb -0.19 -3.43 -0.13 0.00 0.02 0.00 0.00 34.50 30.77 1llu s PRO 59 CO 0.25 -0.69 1.58 -2.30 -0.33 0.00 0.00 177.00 175.51 1llu n PRO 60 N 4.97 2.37 -3.55 5.54 -0.02 -1.25 -4.90 135.00 138.17 1llu n PRO 60 Ca 0.15 0.85 -0.35 0.00 -2.02 0.00 0.00 63.50 62.14 1llu n PRO 60 Cb 0.40 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 1llu n PRO 60 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1llu s LEU 61 N 0.56 4.35 -0.08 2.45 1.43 -1.26 -3.54 118.68 122.58 1llu s LEU 61 Ca 0.73 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 54.51 1llu s LEU 61 Cb -0.60 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 1llu s LEU 61 CO 0.41 0.16 0.34 -2.16 0.23 0.00 0.00 176.35 175.33 1llu s PRO 62 N -1.93 4.02 0.37 1.29 0.04 -1.26 -5.11 135.00 132.42 1llu s PRO 62 Ca 0.34 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.70 1llu s PRO 62 Cb -0.14 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 1llu s PRO 62 CO 0.18 0.49 -0.03 -0.59 0.04 0.00 0.00 177.00 177.09 1llu s PHE 63 N -0.35 2.38 -0.29 0.56 -0.12 -1.02 -4.87 117.98 114.27 1llu s PHE 63 Ca 0.21 -0.64 -0.02 0.00 -0.05 0.00 0.00 56.93 56.43 1llu s PHE 63 Cb -0.15 -1.54 0.04 0.00 -0.63 0.00 0.00 43.02 40.75 1llu s PHE 63 CO 0.09 0.45 -0.01 0.42 -0.05 0.00 0.00 175.22 176.11 1llu s ILE 64 N -2.75 3.01 1.18 -4.49 1.01 -1.26 -0.46 121.20 117.44 1llu s ILE 64 Ca 0.34 -1.29 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 1llu s ILE 64 Cb 0.07 -2.69 0.28 0.00 0.01 0.00 0.00 42.46 40.13 1llu s ILE 64 CO 0.17 -0.04 1.15 -2.16 0.00 0.00 0.00 174.94 174.06 1llu s PRO 65 N 1.28 -1.09 0.00 2.79 0.04 -1.26 0.12 135.00 136.88 1llu s PRO 65 Ca -0.04 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1llu s PRO 65 Cb -0.19 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1llu s PRO 65 CO -0.01 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.83 1llu n GLY 66 N -1.46 1.79 0.79 0.56 0.00 -1.26 -1.39 105.19 104.23 1llu n GLY 66 Ca 0.15 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.24 1llu n GLY 66 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1llu n HIS 67 N 1.40 0.00 -1.95 1.61 1.44 -1.26 -0.41 115.22 116.04 1llu n HIS 67 Ca 0.00 -0.84 0.05 0.00 -2.01 0.00 0.00 57.72 54.92 1llu n HIS 67 Cb 0.00 -0.17 0.13 0.00 0.12 0.00 0.00 29.99 30.08 1llu n HIS 67 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1llu n GLU 68 N -0.46 1.02 -2.74 -1.40 1.02 -1.25 -3.61 120.64 113.23 1llu n GLU 68 Ca 0.11 -2.83 -0.42 0.00 -0.02 0.00 0.00 57.16 54.00 1llu n GLU 68 Cb 0.83 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.21 1llu n GLU 68 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1llu s GLY 69 N -2.78 2.75 0.00 0.62 0.00 -1.25 -1.72 107.32 104.94 1llu s GLY 69 Ca 0.37 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.58 1llu s GLY 69 CO -0.11 1.69 -0.11 0.54 0.00 0.00 0.00 173.10 175.11 1llu s VAL 70 N 1.23 0.90 0.00 1.40 0.11 0.26 -1.00 120.40 123.31 1llu s VAL 70 Ca 0.50 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1llu s VAL 70 Cb -0.20 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1llu s VAL 70 CO 0.25 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 1llu n GLY 71 N 2.58 1.42 3.75 6.54 0.00 -0.34 -0.25 105.19 118.89 1llu n GLY 71 Ca -0.15 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1llu n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1llu s TYR 72 N -1.38 3.21 -0.35 1.61 1.51 -0.71 -1.06 117.35 120.19 1llu s TYR 72 Ca 0.00 0.16 -0.29 0.00 -1.01 0.00 0.00 57.07 55.93 1llu s TYR 72 Cb 0.00 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.13 1llu s TYR 72 CO 0.00 0.52 1.55 0.08 -1.11 0.00 0.00 175.55 176.59 1llu s VAL 73 N -1.17 3.76 -0.15 0.71 1.01 -0.06 0.02 120.40 124.53 1llu s VAL 73 Ca 0.22 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 1llu s VAL 73 Cb -0.12 -3.95 -0.22 0.00 0.00 0.00 0.00 36.38 32.09 1llu s VAL 73 CO 0.13 -0.56 0.58 0.00 0.00 0.00 0.00 175.10 175.25 1llu h ALA 74 N 11.25 0.04 -2.57 5.51 0.00 -0.06 1.01 119.26 134.45 1llu h ALA 74 Ca -0.30 -0.57 -0.34 0.00 0.00 0.00 0.00 54.91 53.70 1llu h ALA 74 Cb 1.13 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.89 1llu h ALA 74 CO 1.05 0.13 -0.73 0.00 0.00 0.00 0.00 179.25 179.70 1llu s ALA 75 N -2.29 1.33 -0.15 0.00 0.00 -1.13 -4.78 121.76 114.75 1llu s ALA 75 Ca -0.19 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.45 1llu s ALA 75 Cb -0.01 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1llu s ALA 75 CO 0.59 -0.03 -0.16 0.08 0.00 0.00 0.00 175.76 176.25 1llu s VAL 76 N -2.72 1.65 1.30 0.00 1.01 -1.26 -0.56 120.40 119.82 1llu s VAL 76 Ca 0.11 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1llu s VAL 76 Cb -0.01 -1.53 0.32 0.00 0.00 0.00 0.00 36.38 35.16 1llu s VAL 76 CO 0.01 0.47 1.04 -0.83 0.00 0.00 0.00 175.10 175.79 1llu s GLY 77 N 1.35 1.51 0.15 4.51 0.00 0.27 -4.96 107.32 110.15 1llu s GLY 77 Ca 0.03 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 1llu s GLY 77 CO -0.09 0.04 0.98 -1.35 0.00 0.00 0.00 173.10 172.68 1llu s SER 78 N -3.60 7.49 0.00 1.64 1.04 -1.23 -3.63 113.70 115.40 1llu s SER 78 Ca 0.70 1.88 0.00 0.00 0.48 0.00 0.00 55.95 59.01 1llu s SER 78 Cb -0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1llu s SER 78 CO 0.57 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1llu n GLY 79 N 2.05 3.10 3.67 7.32 0.00 -1.26 -1.59 105.19 118.48 1llu n GLY 79 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 1llu n GLY 79 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1llu n VAL 80 N -2.00 0.59 -0.03 1.61 0.31 -1.24 -4.87 118.33 112.70 1llu n VAL 80 Ca 0.00 -0.11 -0.03 0.00 -0.01 0.00 0.00 64.34 64.19 1llu n VAL 80 Cb 0.00 -2.05 -0.03 0.00 -0.91 0.00 0.00 33.84 30.85 1llu n VAL 80 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1llu n THR 81 N 5.14 0.34 0.04 2.52 -1.04 -1.26 -4.77 114.28 115.25 1llu n THR 81 Ca 0.21 -0.17 0.02 0.00 -2.04 0.00 0.00 64.05 62.07 1llu n THR 81 Cb 0.34 -0.80 0.38 0.00 -1.82 0.00 0.00 70.33 68.44 1llu n THR 81 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1llu h ARG 82 N 0.00 0.45 -5.02 -2.82 2.43 -1.89 -3.44 114.38 104.09 1llu h ARG 82 Ca -0.13 -0.07 -0.34 0.00 -0.81 0.00 0.00 59.98 58.63 1llu h ARG 82 Cb 1.26 -0.08 -0.20 0.00 -0.42 0.00 0.00 29.97 30.53 1llu h ARG 82 CO -0.01 0.42 -0.75 0.14 -1.51 0.00 0.00 179.97 178.26 1llu s VAL 83 N -5.13 0.93 0.40 0.20 -7.23 -1.26 -5.09 120.40 103.21 1llu s VAL 83 Ca -0.07 -1.43 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1llu s VAL 83 Cb 0.16 -1.13 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 1llu s VAL 83 CO 0.74 -0.42 0.06 -1.59 -0.31 0.00 0.00 175.10 173.58 1llu s LYS 84 N -2.22 2.05 0.42 4.82 -2.85 -1.26 -4.98 119.74 115.72 1llu s LYS 84 Ca 0.00 -1.95 -0.26 0.00 -1.00 0.00 0.00 55.97 52.75 1llu s LYS 84 Cb -0.07 -1.80 -0.09 0.00 -2.06 0.00 0.00 37.83 33.81 1llu s LYS 84 CO 0.01 -0.03 1.44 -2.00 0.10 0.00 0.00 175.35 174.87 1llu s GLU 85 N -3.77 3.87 0.00 1.78 2.12 -1.26 -2.66 118.70 118.78 1llu s GLU 85 Ca 0.37 2.45 0.00 0.00 0.36 0.00 0.00 54.97 58.15 1llu s GLU 85 Cb 0.06 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1llu s GLU 85 CO 0.20 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1llu n GLY 86 N 0.55 3.19 3.69 -1.50 0.00 0.35 -4.91 105.19 106.56 1llu n GLY 86 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1llu n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1llu n ASP 87 N 0.07 3.13 -4.63 1.61 8.00 -1.09 -4.24 116.55 119.41 1llu n ASP 87 Ca 0.00 1.13 -0.43 0.00 0.71 0.00 0.00 54.79 56.20 1llu n ASP 87 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 39.61 1llu n ASP 87 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1llu s ARG 88 N -0.08 3.96 0.13 -1.24 0.52 -1.26 -0.88 118.95 120.10 1llu s ARG 88 Ca 0.70 0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 56.86 1llu s ARG 88 Cb -0.61 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.02 1llu s ARG 88 CO 0.46 -1.05 0.05 0.54 0.02 0.00 0.00 175.30 175.32 1llu s VAL 89 N 3.94 0.17 0.04 3.52 0.11 -0.22 -2.77 120.40 125.20 1llu s VAL 89 Ca 0.47 -1.91 0.05 0.00 -2.93 0.00 0.00 61.98 57.66 1llu s VAL 89 Cb -0.11 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1llu s VAL 89 CO 0.20 -0.49 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.51 1llu s GLY 90 N -3.06 0.82 -0.43 6.54 0.00 -0.00 -1.20 107.32 109.99 1llu s GLY 90 Ca 0.23 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 1llu s GLY 90 CO 0.01 -0.84 0.26 -0.42 0.00 0.00 0.00 173.10 172.11 1llu s ILE 91 N -0.91 3.91 0.90 0.90 1.09 -0.17 0.21 121.20 127.14 1llu s ILE 91 Ca 0.01 -1.68 -0.11 0.00 -1.10 0.00 0.00 60.65 57.77 1llu s ILE 91 Cb -0.08 -3.51 0.19 0.00 -1.06 0.00 0.00 42.46 38.00 1llu s ILE 91 CO 0.01 -0.61 1.23 -2.16 -0.10 0.00 0.00 174.94 173.31 1llu s PRO 92 N 1.32 0.85 0.24 2.79 0.04 -1.25 -3.85 135.00 135.14 1llu s PRO 92 Ca 0.05 -0.72 -0.06 0.00 0.04 0.00 0.00 61.00 60.31 1llu s PRO 92 Cb -0.24 -2.00 0.42 0.00 0.04 0.00 0.00 34.50 32.72 1llu s PRO 92 CO -0.01 -2.18 1.71 2.35 0.04 0.00 0.00 177.00 178.91 1llu h TRP 93 N -1.33 0.35 -1.06 0.56 2.91 -1.77 -3.30 115.95 112.32 1llu h TRP 93 Ca -0.41 0.04 -0.57 0.00 1.13 0.00 0.00 58.89 59.08 1llu h TRP 93 Cb 1.24 -0.05 -0.09 0.00 -0.51 0.00 0.00 29.16 29.74 1llu h TRP 93 CO -0.97 -0.01 1.44 -1.17 -1.03 0.00 0.00 178.44 176.71 1llu s LEU 94 N -10.51 3.48 0.13 0.65 2.96 -1.26 -2.11 118.68 112.01 1llu s LEU 94 Ca -0.13 -1.40 -0.14 0.00 -0.22 0.00 0.00 54.13 52.24 1llu s LEU 94 Cb 0.20 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1llu s LEU 94 CO 0.75 -1.63 1.54 0.22 -1.32 0.00 0.00 176.35 175.92 1llu h TYR 95 N 9.88 0.85 -2.60 5.38 3.20 -1.26 -3.46 116.97 128.95 1llu h TYR 95 Ca 0.20 -0.17 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1llu h TYR 95 Cb 1.01 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1llu h TYR 95 CO 1.28 0.87 0.39 -0.08 -1.64 0.00 0.00 178.16 178.98 1llu s THR 96 N -4.85 0.00 0.12 1.81 -1.32 -1.19 -4.37 115.64 105.83 1llu s THR 96 Ca -0.13 -0.80 -0.18 0.00 -1.21 0.00 0.00 61.69 59.38 1llu s THR 96 Cb 0.10 -2.03 0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1llu s THR 96 CO 0.81 0.00 0.44 0.00 -2.21 0.00 0.00 174.62 173.66 1llu s ALA 97 N -3.50 -1.06 0.35 11.08 0.00 -1.26 -2.63 121.76 124.74 1llu s ALA 97 Ca 0.12 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1llu s ALA 97 Cb -0.03 0.67 0.66 0.00 0.00 0.00 0.00 23.12 24.42 1llu s ALA 97 CO 0.04 -0.63 1.86 0.00 0.00 0.00 0.00 175.76 177.03 1llu n GLY 99 N -0.74 1.90 0.16 0.00 0.00 -1.26 -4.83 105.19 100.42 1llu n GLY 99 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1llu n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1llu h GLU 102 N -0.45 0.34 0.14 0.00 4.81 -1.99 0.51 114.58 117.95 1llu h GLU 102 Ca -0.37 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.50 1llu h GLU 102 Cb 1.27 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1llu h GLU 102 CO 0.43 0.23 -1.68 0.45 -0.73 0.00 0.00 179.01 177.70 1llu h HIS 103 N 0.35 0.55 -0.10 0.92 3.86 -1.92 -3.23 115.15 115.58 1llu h HIS 103 Ca 0.64 -0.40 -0.09 0.00 -1.16 0.00 0.00 60.37 59.36 1llu h HIS 103 Cb 1.34 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 1llu h HIS 103 CO -0.10 1.53 -0.36 0.00 0.86 0.00 0.00 177.93 179.87 1llu h LEU 105 N 0.17 0.00 -3.34 0.00 3.38 -1.05 -3.29 115.31 111.17 1llu h LEU 105 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1llu h LEU 105 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1llu h LEU 105 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1llu n THR 106 N -3.00 2.41 -1.00 0.22 -2.24 -1.05 -4.96 114.28 104.66 1llu n THR 106 Ca 0.04 -1.75 -0.00 0.00 -2.27 0.00 0.00 64.05 60.07 1llu n THR 106 Cb 0.52 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1llu n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1llu n GLY 107 N -0.21 0.40 2.46 3.38 0.00 -1.07 -4.97 105.19 105.18 1llu n GLY 107 Ca 0.23 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 1llu n GLY 107 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1llu n TRP 108 N -2.99 2.53 0.22 1.61 7.02 0.25 -4.84 117.44 121.23 1llu n TRP 108 Ca -0.00 -2.73 0.18 0.00 -1.02 0.00 0.00 57.50 53.92 1llu n TRP 108 Cb 0.01 -0.22 0.80 0.00 -2.42 0.00 0.00 31.31 29.47 1llu n TRP 108 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1llu h GLU 109 N 2.58 0.00 0.00 -0.99 4.11 -1.82 0.24 114.58 118.70 1llu h GLU 109 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.60 1llu h GLU 109 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1llu h GLU 109 CO 0.68 0.00 -0.05 0.00 0.07 0.00 0.00 179.01 179.71 1llu h THR 110 N 0.00 0.73 -0.74 -1.06 1.03 -1.88 -1.07 112.91 109.93 1llu h THR 110 Ca 0.09 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1llu h THR 110 Cb 0.81 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1llu h THR 110 CO -0.00 0.05 0.00 0.18 -0.01 0.00 0.00 175.52 175.73 1llu n LEU 111 N -4.05 3.97 -4.70 0.00 4.77 0.83 -4.97 117.00 112.86 1llu n LEU 111 Ca -0.03 -1.99 -0.42 0.00 -0.03 0.00 0.00 56.01 53.54 1llu n LEU 111 Cb 0.13 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1llu n LEU 111 CO 0.31 0.99 1.36 0.00 -1.33 0.00 0.00 177.39 178.71 1llu h GLU 113 N 8.11 0.00 -0.63 0.00 5.08 -1.93 -3.02 114.58 122.19 1llu h GLU 113 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1llu h GLU 113 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1llu h GLU 113 CO 0.93 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 179.37 1llu n SER 114 N -2.42 5.14 -4.88 1.42 7.64 -1.26 -4.98 113.62 114.27 1llu n SER 114 Ca 0.04 -2.77 -0.30 0.00 1.01 0.00 0.00 58.87 56.85 1llu n SER 114 Cb 0.35 -0.65 0.01 0.00 -1.01 0.00 0.00 64.21 62.90 1llu n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1llu s GLN 115 N -2.46 3.58 0.11 1.43 -2.07 -1.14 -4.24 119.66 114.88 1llu s GLN 115 Ca 0.49 0.55 0.10 0.00 -1.82 0.00 0.00 55.36 54.68 1llu s GLN 115 Cb 0.36 -2.19 -0.04 0.00 -1.09 0.00 0.00 33.01 30.05 1llu s GLN 115 CO 0.16 -0.43 -0.24 -0.65 -1.32 0.00 0.00 175.29 172.81 1llu s GLN 116 N -5.00 1.60 -0.16 9.60 -1.52 -1.08 -4.96 119.66 118.13 1llu s GLN 116 Ca 0.52 -1.25 0.01 0.00 -1.95 0.00 0.00 55.36 52.69 1llu s GLN 116 Cb -0.11 -1.99 0.02 0.00 -0.22 0.00 0.00 33.01 30.71 1llu s GLN 116 CO 0.50 0.47 -0.19 -0.80 -0.25 0.00 0.00 175.29 175.02 1llu s ASN 117 N -1.98 3.02 0.21 5.90 -0.87 -1.26 -1.28 114.94 118.68 1llu s ASN 117 Ca 0.15 -0.60 -0.32 0.00 -1.57 0.00 0.00 52.86 50.52 1llu s ASN 117 Cb -0.10 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.25 39.60 1llu s ASN 117 CO 0.07 0.00 1.63 0.41 -2.57 0.00 0.00 177.10 176.64 1llu n THR 118 N 4.54 0.23 -2.31 1.60 -1.04 -0.90 -1.69 114.28 114.72 1llu n THR 118 Ca -0.20 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.05 61.65 1llu n THR 118 Cb 0.50 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1llu n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1llu n GLY 119 N 3.37 0.02 2.00 3.41 0.00 0.12 -4.31 105.19 109.81 1llu n GLY 119 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1llu n GLY 119 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1llu n TYR 120 N -3.95 -1.68 1.00 1.61 9.36 -0.91 -4.13 117.16 118.47 1llu n TYR 120 Ca -0.10 0.03 0.11 0.00 3.32 0.00 0.00 57.90 61.27 1llu n TYR 120 Cb 0.58 0.56 0.04 0.00 -0.63 0.00 0.00 39.34 39.89 1llu n TYR 120 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1llu n SER 121 N -2.53 2.42 -3.71 2.98 3.41 -0.68 -3.76 113.62 111.75 1llu n SER 121 Ca 0.00 -1.71 -0.14 0.00 -0.26 0.00 0.00 58.87 56.76 1llu n SER 121 Cb 0.00 0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 1llu n SER 121 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1llu s VAL 122 N -2.29 0.05 0.42 -3.33 1.01 -1.15 -4.85 120.40 110.26 1llu s VAL 122 Ca 0.22 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1llu s VAL 122 Cb 0.19 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1llu s VAL 122 CO 0.46 -0.22 1.42 0.20 0.00 0.00 0.00 175.10 176.96 1llu s ASN 123 N -1.40 6.07 0.00 3.32 0.01 -1.26 0.16 114.94 121.83 1llu s ASN 123 Ca -0.12 2.90 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 1llu s ASN 123 Cb -0.04 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1llu s ASN 123 CO 0.04 -1.04 0.00 0.61 -1.51 0.00 0.00 177.10 175.20 1llu n GLY 124 N 0.57 3.30 0.75 0.66 0.00 0.33 -3.94 105.19 106.87 1llu n GLY 124 Ca 0.04 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.19 1llu n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1llu n GLY 125 N 5.00 0.98 2.32 -0.02 0.00 0.45 -4.34 105.19 109.57 1llu n GLY 125 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1llu n GLY 125 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1llu n TYR 126 N 0.46 1.31 -3.86 1.61 0.53 -0.48 -4.78 117.16 111.94 1llu n TYR 126 Ca 0.12 -2.03 -0.09 0.00 -1.02 0.00 0.00 57.90 54.87 1llu n TYR 126 Cb 0.38 -1.62 0.01 0.00 -1.03 0.00 0.00 39.34 37.08 1llu n TYR 126 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1llu s ALA 127 N -0.43 -0.56 -0.12 -0.72 0.00 -1.26 -1.87 121.76 116.80 1llu s ALA 127 Ca 0.62 -0.81 0.15 0.00 0.00 0.00 0.00 51.96 51.92 1llu s ALA 127 Cb 0.32 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1llu s ALA 127 CO -0.12 -0.96 1.17 0.93 0.00 0.00 0.00 175.76 176.78 1llu h GLU 128 N 2.03 0.00 -4.62 0.00 5.08 -1.85 -3.42 114.58 111.79 1llu h GLU 128 Ca -0.30 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.81 1llu h GLU 128 Cb 1.25 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.32 1llu h GLU 128 CO 0.38 0.45 -0.72 0.71 -1.00 0.00 0.00 179.01 178.83 1llu s TYR 129 N -2.92 0.79 -0.06 4.33 1.51 -1.26 -0.13 117.35 119.61 1llu s TYR 129 Ca 0.01 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 1llu s TYR 129 Cb 0.08 -0.47 0.02 0.00 -0.11 0.00 0.00 41.96 41.48 1llu s TYR 129 CO 0.78 -0.12 0.18 0.08 -1.11 0.00 0.00 175.55 175.36 1llu s VAL 130 N -2.54 0.02 -0.13 0.71 1.01 -0.14 -4.91 120.40 114.43 1llu s VAL 130 Ca 0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 1llu s VAL 130 Cb -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1llu s VAL 130 CO -0.02 -0.08 0.40 -0.76 0.00 0.00 0.00 175.10 174.64 1llu s LEU 131 N -0.21 4.27 0.14 3.92 1.43 -1.26 -0.34 118.68 126.64 1llu s LEU 131 Ca -0.03 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1llu s LEU 131 Cb -0.03 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1llu s LEU 131 CO 0.01 0.06 -0.05 0.00 0.23 0.00 0.00 176.35 176.59 1llu s ALA 132 N 0.47 1.26 -0.38 4.21 0.00 -0.52 -4.99 121.76 121.81 1llu s ALA 132 Ca 0.22 -1.48 -0.19 0.00 0.00 0.00 0.00 51.96 50.51 1llu s ALA 132 Cb -0.14 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1llu s ALA 132 CO 0.08 -0.22 0.55 0.34 0.00 0.00 0.00 175.76 176.51 1llu s ASP 133 N -3.13 6.32 0.56 0.00 3.68 -1.26 -2.27 116.67 120.57 1llu s ASP 133 Ca 0.18 -0.15 0.35 0.00 2.13 0.00 0.00 52.55 55.06 1llu s ASP 133 Cb 0.05 -2.28 1.50 0.00 -1.45 0.00 0.00 42.92 40.73 1llu s ASP 133 CO -0.00 -0.58 1.77 -0.65 0.13 0.00 0.00 175.17 175.84 1llu h PRO 134 N 8.59 0.00 0.00 4.34 0.11 -1.90 -1.80 132.00 141.34 1llu h PRO 134 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1llu h PRO 134 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1llu h PRO 134 CO 0.81 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.69 1llu h ASN 135 N 0.00 0.00 -0.02 -2.05 2.35 -1.92 -3.32 115.58 110.62 1llu h ASN 135 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1llu h ASN 135 Cb 2.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.57 1llu h ASN 135 CO -0.01 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.55 1llu n TYR 136 N -2.47 0.03 -2.06 1.19 4.02 -0.69 -5.03 117.16 112.14 1llu n TYR 136 Ca 0.05 -0.15 -0.32 0.00 -0.01 0.00 0.00 57.90 57.47 1llu n TYR 136 Cb 0.45 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 1llu n TYR 136 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1llu s VAL 137 N -0.42 4.06 -0.20 -0.72 0.11 -1.12 -4.68 120.40 117.43 1llu s VAL 137 Ca 0.03 0.92 -0.15 0.00 -2.93 0.00 0.00 61.98 59.85 1llu s VAL 137 Cb 0.02 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 1llu s VAL 137 CO 0.03 -0.63 0.36 -0.83 -3.33 0.00 0.00 175.10 170.70 1llu s GLY 138 N -3.06 2.09 -0.49 6.54 0.00 0.13 -4.90 107.32 107.63 1llu s GLY 138 Ca 0.61 -0.56 -0.28 0.00 0.00 0.00 0.00 44.72 44.49 1llu s GLY 138 CO 0.39 0.73 1.10 -0.42 0.00 0.00 0.00 173.10 174.90 1llu s ILE 139 N 1.20 4.23 0.47 0.90 1.09 -1.26 -0.82 121.20 127.00 1llu s ILE 139 Ca 0.17 1.06 -0.20 0.00 -1.10 0.00 0.00 60.65 60.58 1llu s ILE 139 Cb -0.14 -4.59 -0.09 0.00 -1.06 0.00 0.00 42.46 36.57 1llu s ILE 139 CO 0.07 -1.04 1.00 -0.76 -0.10 0.00 0.00 174.94 174.12 1llu s LEU 140 N 4.39 3.87 0.22 2.97 1.43 -1.11 -5.00 118.68 125.44 1llu s LEU 140 Ca 0.45 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 1llu s LEU 140 Cb -0.08 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.51 1llu s LEU 140 CO 0.30 -0.61 1.14 -2.16 0.23 0.00 0.00 176.35 175.25 1llu s PRO 141 N -3.25 4.56 0.36 1.29 0.04 -1.26 -4.94 135.00 131.80 1llu s PRO 141 Ca 0.65 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.54 1llu s PRO 141 Cb -0.13 -3.23 0.68 0.00 0.04 0.00 0.00 34.50 31.86 1llu s PRO 141 CO 0.18 0.04 2.02 0.87 0.04 0.00 0.00 177.00 180.15 1llu h LYS 142 N 4.70 0.77 0.00 4.56 1.57 -1.97 -3.06 116.57 123.14 1llu h LYS 142 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1llu h LYS 142 Cb 1.21 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1llu h LYS 142 CO 0.71 0.51 0.00 0.27 -0.57 0.00 0.00 179.45 180.37 1llu n ASN 143 N -4.45 0.00 -4.15 0.86 6.94 -1.26 -4.79 115.26 108.41 1llu n ASN 143 Ca 0.06 -1.50 -0.29 0.00 -0.02 0.00 0.00 54.58 52.83 1llu n ASN 143 Cb 0.05 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.30 1llu n ASN 143 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1llu s VAL 144 N -2.00 1.71 0.49 3.53 1.01 -1.16 -5.07 120.40 118.91 1llu s VAL 144 Ca 0.18 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 1llu s VAL 144 Cb 0.08 -1.49 -0.07 0.00 0.00 0.00 0.00 36.38 34.90 1llu s VAL 144 CO 0.14 0.48 1.10 -1.61 0.00 0.00 0.00 175.10 175.21 1llu s GLU 145 N 0.37 3.68 0.27 2.72 2.02 -1.26 -4.81 118.70 121.69 1llu s GLU 145 Ca -0.15 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.38 1llu s GLU 145 Cb -0.16 -2.18 0.60 0.00 0.10 0.00 0.00 34.13 32.49 1llu s GLU 145 CO 0.06 -0.56 1.63 0.74 0.02 0.00 0.00 175.26 177.15 1llu h PHE 146 N 1.65 0.12 -0.55 1.61 -1.00 -1.97 0.29 116.94 117.10 1llu h PHE 146 Ca -0.49 0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.36 1llu h PHE 146 Cb 1.24 0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.85 1llu h PHE 146 CO 0.54 -0.26 0.36 0.00 -1.61 0.00 0.00 178.31 177.35 1llu h ALA 147 N 1.78 1.67 0.01 2.45 0.00 -1.92 -2.47 119.26 120.78 1llu h ALA 147 Ca 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 1llu h ALA 147 Cb 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1llu h ALA 147 CO -0.70 0.28 -0.06 0.93 0.00 0.00 0.00 179.25 179.70 1llu h GLU 148 N 0.68 0.03 0.00 0.00 5.08 -1.32 -3.35 114.58 115.71 1llu h GLU 148 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1llu h GLU 148 Cb 0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1llu h GLU 148 CO -0.05 0.90 0.00 0.44 -1.00 0.00 0.00 179.01 179.30 1llu n ILE 149 N -4.62 0.58 -0.18 3.13 -6.64 -0.98 -3.93 119.36 106.71 1llu n ILE 149 Ca -0.10 -0.05 -0.05 0.00 -1.77 0.00 0.00 62.75 60.78 1llu n ILE 149 Cb 0.45 -0.75 0.01 0.00 -1.44 0.00 0.00 39.64 37.91 1llu n ILE 149 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1llu h ALA 150 N 2.55 0.02 -0.86 -1.28 0.00 -1.57 -0.46 119.26 117.66 1llu h ALA 150 Ca 0.00 0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.24 1llu h ALA 150 Cb 0.55 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1llu h ALA 150 CO 0.00 -0.63 0.56 -1.35 0.00 0.00 0.00 179.25 177.83 1llu h PRO 151 N -0.15 0.49 -0.15 0.00 0.11 -1.81 -0.53 132.00 129.95 1llu h PRO 151 Ca 0.23 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.32 1llu h PRO 151 Cb 0.53 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1llu h PRO 151 CO -0.63 0.32 0.10 0.82 -0.21 0.00 0.00 178.00 178.40 1llu h ILE 152 N 0.50 1.03 0.00 4.15 5.03 -1.31 -0.95 117.51 125.95 1llu h ILE 152 Ca 0.44 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 65.11 1llu h ILE 152 Cb 0.94 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.55 1llu h ILE 152 CO -0.17 0.03 0.15 -0.07 -0.68 0.00 0.00 178.15 177.41 1llu h LEU 153 N 0.19 0.00 0.00 1.44 -0.00 -1.04 -1.92 115.31 113.98 1llu h LEU 153 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1llu h LEU 153 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1llu h LEU 153 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.43 1llu h ALA 155 N 0.00 1.62 0.56 0.00 0.00 -1.40 -0.51 119.26 119.53 1llu h ALA 155 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1llu h ALA 155 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1llu h ALA 155 CO 0.00 0.24 -0.27 0.78 0.00 0.00 0.00 179.25 180.00 1llu h GLY 156 N 0.89 -0.79 0.98 0.00 0.00 -1.29 -2.72 103.07 100.14 1llu h GLY 156 Ca 0.37 0.29 0.01 0.00 0.00 0.00 0.00 47.33 48.00 1llu h GLY 156 CO -0.14 -0.29 0.47 -0.39 0.00 0.00 0.00 176.54 176.20 1llu h VAL 157 N -1.08 1.17 0.03 4.60 -1.51 -1.30 -0.26 116.25 117.89 1llu h VAL 157 Ca -0.08 -0.33 0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1llu h VAL 157 Cb 0.58 0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 29.84 1llu h VAL 157 CO 0.13 0.17 -0.15 0.74 -1.23 0.00 0.00 177.57 177.24 1llu h THR 158 N 0.95 0.65 -0.59 7.19 2.02 -1.20 0.16 112.91 122.10 1llu h THR 158 Ca 0.27 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.40 1llu h THR 158 Cb -0.09 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1llu h THR 158 CO -0.07 0.00 0.19 0.58 0.37 0.00 0.00 175.52 176.59 1llu h VAL 159 N -0.26 1.24 -0.13 3.16 2.07 -1.34 0.06 116.25 121.06 1llu h VAL 159 Ca 0.04 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1llu h VAL 159 Cb 0.30 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1llu h VAL 159 CO -0.12 0.31 0.06 0.22 0.02 0.00 0.00 177.57 178.05 1llu h TYR 160 N 0.83 0.20 -0.43 1.57 3.20 -0.76 -1.07 116.97 120.51 1llu h TYR 160 Ca 0.19 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 1llu h TYR 160 Cb 0.28 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1llu h TYR 160 CO 0.02 0.27 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.52 1llu h LYS 161 N 0.07 0.74 -0.71 1.82 1.63 -0.60 -1.94 116.57 117.58 1llu h LYS 161 Ca 0.04 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.59 1llu h LYS 161 Cb 0.15 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1llu h LYS 161 CO -0.00 0.80 0.30 0.78 -3.45 0.00 0.00 179.45 177.87 1llu h GLY 162 N 0.97 1.13 1.20 5.01 0.00 -0.76 -0.17 103.07 110.45 1llu h GLY 162 Ca 0.13 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1llu h GLY 162 CO 0.03 0.57 0.18 1.41 0.00 0.00 0.00 176.54 178.73 1llu h LEU 163 N 1.01 0.94 -0.86 3.11 3.38 -0.91 -1.80 115.31 120.18 1llu h LEU 163 Ca 0.24 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1llu h LEU 163 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1llu h LEU 163 CO -0.02 0.89 0.11 0.11 0.09 0.00 0.00 178.44 179.62 1llu h LYS 164 N 0.96 0.95 0.00 1.13 1.57 -0.83 -2.60 116.57 117.76 1llu h LYS 164 Ca 0.21 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1llu h LYS 164 Cb 0.31 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1llu h LYS 164 CO -0.00 0.87 -0.01 1.96 -0.57 0.00 0.00 179.45 181.70 1llu h GLN 165 N 0.91 0.00 0.00 3.15 1.08 -0.20 -1.53 115.11 118.52 1llu h GLN 165 Ca 0.19 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1llu h GLN 165 Cb 0.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1llu h GLN 165 CO 0.01 0.01 -0.03 1.79 -0.95 0.00 0.00 178.83 179.66 1llu h THR 166 N 0.00 0.05 -1.19 -0.54 1.35 -1.02 -3.47 112.91 108.09 1llu h THR 166 Ca -0.00 -1.04 -0.38 0.00 -0.55 0.00 0.00 66.41 64.44 1llu h THR 166 Cb 0.28 1.99 -0.13 0.00 -1.73 0.00 0.00 68.15 68.56 1llu h THR 166 CO 0.00 0.03 -0.37 0.59 -0.25 0.00 0.00 175.52 175.52 1llu n ASN 167 N -3.11 -5.30 -4.72 5.36 3.02 -0.58 -4.43 115.26 105.50 1llu n ASN 167 Ca 0.04 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 1llu n ASN 167 Cb 0.53 -4.44 -0.03 0.00 -0.61 0.00 0.00 39.78 35.23 1llu n ASN 167 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1llu s ALA 168 N -2.74 3.47 0.37 5.41 0.00 -1.26 -5.01 121.76 122.00 1llu s ALA 168 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.95 1llu s ALA 168 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1llu s ALA 168 CO 0.00 -0.48 0.57 1.03 0.00 0.00 0.00 175.76 176.87 1llu s ARG 169 N 0.67 3.35 0.43 0.00 0.52 -1.26 -4.99 118.95 117.67 1llu s ARG 169 Ca 0.59 -0.44 -0.24 0.00 -0.52 0.00 0.00 55.73 55.12 1llu s ARG 169 Cb -0.33 -2.66 -0.10 0.00 0.52 0.00 0.00 34.95 32.38 1llu s ARG 169 CO 0.32 0.05 1.09 -0.35 0.02 0.00 0.00 175.30 176.43 1llu n PRO 170 N -1.84 1.49 0.00 3.54 -0.04 -1.26 -1.33 135.00 135.57 1llu n PRO 170 Ca -0.03 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1llu n PRO 170 Cb 0.57 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1llu n PRO 170 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1llu n GLY 171 N 1.08 1.79 4.02 0.55 0.00 0.23 -4.97 105.19 107.88 1llu n GLY 171 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 1llu n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1llu s GLN 172 N -0.58 2.22 0.01 1.61 -0.21 -0.45 -4.82 119.66 117.45 1llu s GLN 172 Ca 0.00 -1.39 0.01 0.00 0.02 0.00 0.00 55.36 54.00 1llu s GLN 172 Cb 0.00 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 1llu s GLN 172 CO 0.00 -0.93 0.04 -1.58 -2.12 0.00 0.00 175.29 170.70 1llu s TRP 173 N -2.76 3.16 -0.07 0.91 0.52 -1.26 -0.41 118.94 119.03 1llu s TRP 173 Ca 0.62 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.87 1llu s TRP 173 Cb -0.06 -1.68 0.02 0.00 -1.15 0.00 0.00 33.47 30.59 1llu s TRP 173 CO 0.40 0.50 -0.08 0.54 0.02 0.00 0.00 176.95 178.33 1llu s VAL 174 N -1.17 0.85 -0.26 4.03 0.11 -0.54 -1.66 120.40 121.76 1llu s VAL 174 Ca 0.22 -0.27 -0.14 0.00 -2.93 0.00 0.00 61.98 58.87 1llu s VAL 174 Cb -0.12 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1llu s VAL 174 CO 0.13 0.31 0.30 0.00 -3.33 0.00 0.00 175.10 172.51 1llu s ALA 175 N 1.06 3.56 -0.44 1.54 0.00 0.30 -1.81 121.76 125.99 1llu s ALA 175 Ca -0.08 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1llu s ALA 175 Cb -0.14 -2.59 0.08 0.00 0.00 0.00 0.00 23.12 20.47 1llu s ALA 175 CO -0.01 -0.50 0.30 0.42 0.00 0.00 0.00 175.76 175.97 1llu s ILE 176 N 1.71 4.49 -0.47 0.00 1.01 -0.11 -0.93 121.20 126.89 1llu s ILE 176 Ca 0.13 -1.33 -0.27 0.00 0.00 0.00 0.00 60.65 59.18 1llu s ILE 176 Cb -0.15 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1llu s ILE 176 CO 0.09 -0.54 1.02 -0.55 0.00 0.00 0.00 174.94 174.96 1llu s SER 177 N 2.28 6.55 0.00 3.58 0.15 -0.50 -1.88 113.70 123.87 1llu s SER 177 Ca 0.03 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1llu s SER 177 Cb -0.24 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1llu s SER 177 CO 0.03 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.93 1llu n GLY 178 N 4.91 -0.05 2.78 9.45 0.00 0.14 -0.76 105.19 121.65 1llu n GLY 178 Ca 0.08 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 1llu n GLY 178 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1llu n ILE 179 N 1.57 5.11 0.00 -0.61 -0.00 -1.25 -3.83 119.36 120.35 1llu n ILE 179 Ca 0.00 -5.85 0.00 0.00 -0.00 0.00 0.00 62.75 56.90 1llu n ILE 179 Cb 0.00 -1.75 0.00 0.00 -0.00 0.00 0.00 39.64 37.89 1llu n ILE 179 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1llu n GLY 180 N 0.44 1.87 0.30 7.39 0.00 -1.26 -4.24 105.19 109.68 1llu n GLY 180 Ca 0.36 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1llu n GLY 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1llu h GLY 181 N 0.00 -0.35 1.11 -0.02 0.00 -1.92 -1.58 103.07 100.30 1llu h GLY 181 Ca 0.00 0.33 -0.34 0.00 0.00 0.00 0.00 47.33 47.32 1llu h GLY 181 CO 0.00 -0.21 -1.61 1.41 0.00 0.00 0.00 176.54 176.13 1llu h LEU 182 N -0.36 0.68 -0.55 3.11 4.07 -1.91 -3.38 115.31 116.97 1llu h LEU 182 Ca 0.09 -0.87 0.05 0.00 0.08 0.00 0.00 57.88 57.23 1llu h LEU 182 Cb 0.49 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1llu h LEU 182 CO -0.30 1.71 0.28 1.23 -1.08 0.00 0.00 178.44 180.29 1llu h GLY 183 N 0.60 0.78 2.00 0.83 0.00 -1.63 -0.15 103.07 105.49 1llu h GLY 183 Ca -0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1llu h GLY 183 CO 0.22 0.11 -0.13 1.12 0.00 0.00 0.00 176.54 177.86 1llu h HIS 184 N 0.54 0.00 0.00 5.60 2.07 -1.46 -2.17 115.15 119.73 1llu h HIS 184 Ca 0.25 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.69 1llu h HIS 184 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 1llu h HIS 184 CO -0.10 0.13 -1.13 -0.24 -3.07 0.00 0.00 177.93 173.52 1llu h VAL 185 N 0.00 0.25 0.00 6.12 3.04 -1.66 -3.32 116.25 120.68 1llu h VAL 185 Ca -0.00 -1.48 -0.11 0.00 -1.01 0.00 0.00 66.70 64.10 1llu h VAL 185 Cb 0.62 1.78 -0.02 0.00 -2.01 0.00 0.00 31.29 31.67 1llu h VAL 185 CO 0.02 0.14 -0.52 0.00 -1.01 0.00 0.00 177.57 176.20 1llu h ALA 186 N 1.73 1.12 -0.27 3.17 0.00 -0.41 -2.43 119.26 122.17 1llu h ALA 186 Ca -0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1llu h ALA 186 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1llu h ALA 186 CO 0.02 0.65 -0.19 0.28 0.00 0.00 0.00 179.25 180.01 1llu h VAL 187 N 0.00 1.25 -0.04 0.00 2.07 -1.54 -1.32 116.25 116.66 1llu h VAL 187 Ca -0.01 -1.14 -0.20 0.00 0.82 0.00 0.00 66.70 66.17 1llu h VAL 187 Cb 0.93 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1llu h VAL 187 CO 0.07 0.37 -0.76 1.56 0.02 0.00 0.00 177.57 178.83 1llu h GLN 188 N 0.44 0.59 -0.19 1.57 4.20 -1.61 -2.28 115.11 117.83 1llu h GLN 188 Ca 0.07 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 1llu h GLN 188 Cb 0.58 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1llu h GLN 188 CO 0.04 1.20 0.03 1.88 -0.67 0.00 0.00 178.83 181.31 1llu h TYR 189 N 0.21 0.34 -1.00 2.96 -1.99 -1.37 -1.03 116.97 115.10 1llu h TYR 189 Ca -0.08 -0.05 0.10 0.00 2.00 0.00 0.00 58.73 60.70 1llu h TYR 189 Cb 1.43 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 39.99 1llu h TYR 189 CO 0.12 0.47 0.63 0.00 -0.00 0.00 0.00 178.16 179.38 1llu h ALA 190 N 0.83 1.46 0.20 3.88 0.00 -1.30 0.56 119.26 124.89 1llu h ALA 190 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1llu h ALA 190 Cb 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1llu h ALA 190 CO 0.00 0.31 -0.10 -0.09 0.00 0.00 0.00 179.25 179.37 1llu h ARG 191 N 1.06 -0.26 0.00 0.00 9.65 -1.19 -0.64 114.38 123.00 1llu h ARG 191 Ca 0.47 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 1llu h ARG 191 Cb 0.36 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1llu h ARG 191 CO -0.23 -0.14 0.00 0.00 2.80 0.00 0.00 179.97 182.40 1llu n ALA 192 N -2.23 1.55 -0.76 2.80 0.00 -0.41 -2.06 120.51 119.39 1llu n ALA 192 Ca -0.09 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.39 1llu n ALA 192 Cb 0.15 -1.19 0.34 0.00 0.00 0.00 0.00 19.45 18.75 1llu n ALA 192 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1llu n MET 193 N -1.50 3.94 -1.20 0.00 2.81 0.08 -4.93 117.12 116.32 1llu n MET 193 Ca 0.03 -2.93 -0.07 0.00 -1.81 0.00 0.00 57.70 52.92 1llu n MET 193 Cb 0.14 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 30.65 1llu n MET 193 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1llu n GLY 194 N 0.62 0.91 3.89 3.03 0.00 -0.88 -4.05 105.19 108.71 1llu n GLY 194 Ca 0.25 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1llu n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1llu s LEU 195 N -1.59 4.36 -0.02 0.99 1.43 -0.30 0.74 118.68 124.29 1llu s LEU 195 Ca 0.00 0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 53.41 1llu s LEU 195 Cb 0.00 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1llu s LEU 195 CO 0.00 0.24 0.68 -1.00 0.23 0.00 0.00 176.35 176.50 1llu s HIS 196 N -1.33 3.65 -0.13 0.29 3.76 0.45 -4.27 115.29 117.70 1llu s HIS 196 Ca 0.29 1.29 -0.03 0.00 -0.15 0.00 0.00 55.06 56.45 1llu s HIS 196 Cb -0.13 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 1llu s HIS 196 CO 0.17 0.21 -0.01 0.08 -0.85 0.00 0.00 174.74 174.35 1llu s VAL 197 N 0.30 4.21 -0.24 -0.90 1.01 -1.26 -1.47 120.40 122.04 1llu s VAL 197 Ca 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 1llu s VAL 197 Cb -0.19 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1llu s VAL 197 CO 0.19 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.75 1llu s ALA 198 N -0.17 2.68 -0.20 5.51 0.00 -0.75 -1.68 121.76 127.14 1llu s ALA 198 Ca 0.05 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1llu s ALA 198 Cb -0.13 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1llu s ALA 198 CO 0.02 -0.76 0.19 0.00 0.00 0.00 0.00 175.76 175.21 1llu s ALA 199 N 1.33 3.64 -0.07 0.00 0.00 0.80 -0.94 121.76 126.52 1llu s ALA 199 Ca 0.01 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1llu s ALA 199 Cb -0.16 -2.29 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 1llu s ALA 199 CO -0.05 0.02 -0.22 0.42 0.00 0.00 0.00 175.76 175.93 1llu s ILE 200 N 0.63 1.85 0.06 0.00 1.09 -0.79 -0.81 121.20 123.23 1llu s ILE 200 Ca 0.10 -0.92 -0.02 0.00 -1.10 0.00 0.00 60.65 58.71 1llu s ILE 200 Cb -0.12 -1.59 0.01 0.00 -1.06 0.00 0.00 42.46 39.70 1llu s ILE 200 CO 0.01 0.52 0.11 -0.67 -0.10 0.00 0.00 174.94 174.81 1llu n ASP 201 N 3.30 -0.33 -0.13 3.58 -0.08 -0.77 0.25 116.55 122.36 1llu n ASP 201 Ca -0.19 -1.23 0.05 0.00 -1.51 0.00 0.00 54.79 51.91 1llu n ASP 201 Cb 0.52 0.55 0.06 0.00 2.34 0.00 0.00 41.12 44.60 1llu n ASP 201 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1llu n ILE 202 N -0.08 1.10 -3.67 5.18 -5.35 -1.26 0.69 119.36 115.98 1llu n ILE 202 Ca -0.01 -1.28 -0.20 0.00 -0.27 0.00 0.00 62.75 61.00 1llu n ILE 202 Cb 0.09 0.22 -0.18 0.00 -1.74 0.00 0.00 39.64 38.03 1llu n ILE 202 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1llu s ASP 203 N -1.75 1.10 0.48 7.28 3.68 -1.26 -4.84 116.67 121.36 1llu s ASP 203 Ca 0.15 0.11 0.13 0.00 2.13 0.00 0.00 52.55 55.06 1llu s ASP 203 Cb 0.13 -0.07 1.13 0.00 -1.45 0.00 0.00 42.92 42.66 1llu s ASP 203 CO 0.01 -0.25 2.12 0.44 0.13 0.00 0.00 175.17 177.62 1llu h ASP 204 N 8.43 0.16 -0.36 -0.34 3.32 -1.98 -1.65 116.42 124.00 1llu h ASP 204 Ca -0.12 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1llu h ASP 204 Cb 1.12 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1llu h ASP 204 CO 0.15 0.12 0.19 0.00 -1.72 0.00 0.00 179.24 177.98 1llu h ALA 205 N 1.91 0.46 -0.51 3.45 0.00 -1.99 0.23 119.26 122.82 1llu h ALA 205 Ca 0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1llu h ALA 205 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1llu h ALA 205 CO -0.01 -0.01 -0.05 0.87 0.00 0.00 0.00 179.25 180.05 1llu h LYS 206 N 0.45 0.89 -0.13 0.00 1.57 -1.74 -2.11 116.57 115.50 1llu h LYS 206 Ca 0.13 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.54 1llu h LYS 206 Cb 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1llu h LYS 206 CO -0.02 0.91 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.40 1llu h LEU 207 N 0.81 0.26 -0.40 2.94 4.07 -0.89 -1.86 115.31 120.24 1llu h LEU 207 Ca 0.14 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 1llu h LEU 207 Cb 0.55 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1llu h LEU 207 CO 0.03 0.56 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.82 1llu h GLU 208 N 0.23 0.75 -0.93 1.13 4.57 -0.07 -2.35 114.58 117.91 1llu h GLU 208 Ca 0.03 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1llu h GLU 208 Cb 0.66 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1llu h GLU 208 CO 0.05 0.86 0.59 1.25 -1.18 0.00 0.00 179.01 180.58 1llu h LEU 209 N 0.57 1.09 -0.62 1.64 5.85 -1.09 -2.02 115.31 120.73 1llu h LEU 209 Ca 0.11 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1llu h LEU 209 Cb 0.56 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1llu h LEU 209 CO 0.03 0.81 0.34 0.00 -0.34 0.00 0.00 178.44 179.28 1llu h ALA 210 N 1.38 0.81 -0.35 1.25 0.00 -0.86 -0.69 119.26 120.80 1llu h ALA 210 Ca 0.34 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1llu h ALA 210 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1llu h ALA 210 CO -0.07 0.03 -0.20 0.00 0.00 0.00 0.00 179.25 179.00 1llu h ARG 211 N 0.65 0.68 -0.23 0.00 3.08 -0.93 -1.05 114.38 116.57 1llu h ARG 211 Ca 0.27 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1llu h ARG 211 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1llu h ARG 211 CO -0.16 0.83 -0.03 0.87 -1.07 0.00 0.00 179.97 180.42 1llu h LYS 212 N 0.60 0.35 -0.00 0.04 1.57 -0.67 -2.61 116.57 115.86 1llu h LYS 212 Ca 0.09 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1llu h LYS 212 Cb 0.68 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1llu h LYS 212 CO 0.05 0.41 -0.17 1.28 -0.57 0.00 0.00 179.45 180.45 1llu n LEU 213 N -4.32 0.35 0.00 2.94 4.77 -0.33 -4.93 117.00 115.48 1llu n LEU 213 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1llu n LEU 213 Cb 0.22 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1llu n LEU 213 CO 0.38 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1llu n GLY 214 N 1.39 1.11 3.73 -0.72 0.00 -0.94 -4.59 105.19 105.17 1llu n GLY 214 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1llu n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1llu s ALA 215 N -1.24 3.76 -0.94 4.61 0.00 -0.44 -4.65 121.76 122.86 1llu s ALA 215 Ca 0.00 1.40 0.20 0.00 0.00 0.00 0.00 51.96 53.56 1llu s ALA 215 Cb 0.00 -3.62 -0.21 0.00 0.00 0.00 0.00 23.12 19.29 1llu s ALA 215 CO 0.00 -0.81 0.84 -1.13 0.00 0.00 0.00 175.76 174.66 1llu n SER 216 N 3.42 0.94 -3.91 0.00 3.41 -0.68 -4.42 113.62 112.38 1llu n SER 216 Ca 0.12 -0.97 -0.20 0.00 -0.26 0.00 0.00 58.87 57.55 1llu n SER 216 Cb 0.38 0.99 -0.16 0.00 -0.26 0.00 0.00 64.21 65.16 1llu n SER 216 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1llu s LEU 217 N -2.92 1.42 0.02 1.04 2.96 -1.13 -5.06 118.68 115.01 1llu s LEU 217 Ca 0.08 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1llu s LEU 217 Cb 0.15 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 1llu s LEU 217 CO 0.81 -0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.74 1llu s THR 218 N 0.79 1.34 -0.11 3.68 2.01 -1.26 -0.14 115.64 121.95 1llu s THR 218 Ca -0.11 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1llu s THR 218 Cb -0.14 -1.15 0.05 0.00 0.01 0.00 0.00 72.50 71.27 1llu s THR 218 CO 0.01 0.22 0.24 -0.69 -0.69 0.00 0.00 174.62 173.71 1llu s VAL 219 N -0.62 -0.24 -0.43 3.82 1.01 0.01 -4.96 120.40 118.99 1llu s VAL 219 Ca 0.05 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1llu s VAL 219 Cb -0.07 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1llu s VAL 219 CO 0.01 0.10 0.56 0.21 0.00 0.00 0.00 175.10 175.97 1llu s ASN 220 N 1.92 6.28 0.33 3.32 3.84 -1.26 -1.85 114.94 127.52 1llu s ASN 220 Ca -0.03 -0.45 0.23 0.00 0.21 0.00 0.00 52.86 52.82 1llu s ASN 220 Cb -0.11 -2.28 1.20 0.00 -0.55 0.00 0.00 41.25 39.51 1llu s ASN 220 CO -0.08 -0.69 1.70 0.00 -2.79 0.00 0.00 177.10 175.24 1llu h ALA 221 N 8.80 1.00 0.00 1.71 0.00 0.12 -0.49 119.26 130.40 1llu h ALA 221 Ca -0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1llu h ALA 221 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1llu h ALA 221 CO 0.85 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 179.25 1llu h ARG 222 N 0.00 0.00 0.00 0.00 3.08 -1.89 -3.36 114.38 112.21 1llu h ARG 222 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1llu h ARG 222 Cb 0.06 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 1llu h ARG 222 CO 0.00 0.05 -2.27 1.04 -1.07 0.00 0.00 179.97 177.72 1llu n GLN 223 N -2.80 0.68 -3.71 0.04 6.02 -0.36 -5.02 117.38 112.22 1llu n GLN 223 Ca -0.00 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 1llu n GLN 223 Cb 0.59 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 1llu n GLN 223 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1llu s GLU 224 N -2.51 0.95 -0.25 -1.09 -1.05 -0.34 -5.06 118.70 109.36 1llu s GLU 224 Ca -0.10 -0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 53.74 1llu s GLU 224 Cb 0.06 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.15 1llu s GLU 224 CO 0.82 -0.34 1.59 0.34 0.95 0.00 0.00 175.26 178.62 1llu s ASP 225 N -2.58 6.35 0.16 0.83 2.15 -1.26 -4.06 116.67 118.26 1llu s ASP 225 Ca 0.01 1.50 -0.15 0.00 0.43 0.00 0.00 52.55 54.33 1llu s ASP 225 Cb 0.02 -2.53 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 1llu s ASP 225 CO -0.09 -1.30 1.82 -0.65 -0.17 0.00 0.00 175.17 174.77 1llu h PRO 226 N 10.83 0.56 -0.09 4.34 0.11 -1.90 -2.44 132.00 143.41 1llu h PRO 226 Ca -0.33 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.79 1llu h PRO 226 Cb 1.15 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 1llu h PRO 226 CO 1.01 0.37 -0.34 0.28 -0.21 0.00 0.00 178.00 179.11 1llu h VAL 227 N 0.58 0.26 0.00 3.15 2.07 -1.88 0.15 116.25 120.58 1llu h VAL 227 Ca 0.17 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.63 1llu h VAL 227 Cb -0.03 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1llu h VAL 227 CO -0.06 0.00 -0.30 1.05 0.02 0.00 0.00 177.57 178.29 1llu h GLU 228 N -0.44 0.00 -0.04 1.57 4.11 -1.89 -1.33 114.58 116.55 1llu h GLU 228 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1llu h GLU 228 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1llu h GLU 228 CO -0.33 0.30 -0.01 0.00 0.07 0.00 0.00 179.01 179.03 1llu h ALA 229 N 1.70 0.06 -0.25 1.06 0.00 -0.96 -0.20 119.26 120.67 1llu h ALA 229 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1llu h ALA 229 Cb 1.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1llu h ALA 229 CO 0.04 -0.23 -0.03 0.82 0.00 0.00 0.00 179.25 179.85 1llu h ILE 230 N -0.28 1.27 -0.54 0.00 1.08 -0.99 0.77 117.51 118.82 1llu h ILE 230 Ca 0.01 -0.99 -0.04 0.00 -0.39 0.00 0.00 64.86 63.46 1llu h ILE 230 Cb 0.41 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.55 1llu h ILE 230 CO 0.00 0.31 0.18 1.56 -0.69 0.00 0.00 178.15 179.51 1llu h GLN 231 N 0.22 0.80 0.05 2.37 1.08 -1.25 -0.54 115.11 117.83 1llu h GLN 231 Ca 0.07 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 1llu h GLN 231 Cb 0.47 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1llu h GLN 231 CO 0.02 0.68 -0.57 -0.09 -0.95 0.00 0.00 178.83 177.92 1llu h ARG 232 N 0.78 0.30 0.03 1.46 2.43 -0.93 -1.76 114.38 116.70 1llu h ARG 232 Ca 0.18 -0.39 -0.22 0.00 -0.81 0.00 0.00 59.98 58.74 1llu h ARG 232 Cb 0.21 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1llu h ARG 232 CO -0.01 1.11 -0.99 -0.44 -1.51 0.00 0.00 179.97 178.13 1llu h ASP 233 N -0.32 0.31 0.00 -3.80 3.32 -0.81 -3.39 116.42 111.73 1llu h ASP 233 Ca -0.08 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1llu h ASP 233 Cb 1.35 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1llu h ASP 233 CO 0.11 1.12 0.00 2.30 -1.72 0.00 0.00 179.24 181.05 1llu n ILE 234 N -3.60 0.00 -0.95 0.35 -5.35 -0.27 -5.02 119.36 104.51 1llu n ILE 234 Ca -0.05 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1llu n ILE 234 Cb 0.88 1.33 0.00 0.00 -1.74 0.00 0.00 39.64 40.11 1llu n ILE 234 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1llu n GLY 235 N 0.17 0.50 0.00 3.28 0.00 -0.66 -4.80 105.19 103.68 1llu n GLY 235 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1llu n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1llu n GLY 236 N -2.95 2.60 3.80 -0.02 0.00 -1.15 -4.61 105.19 102.86 1llu n GLY 236 Ca 0.00 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 1llu n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1llu s ALA 237 N -1.04 3.53 0.33 4.61 0.00 -0.38 -4.32 121.76 124.50 1llu s ALA 237 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1llu s ALA 237 Cb 0.00 -2.77 0.59 0.00 0.00 0.00 0.00 23.12 20.94 1llu s ALA 237 CO 0.00 0.35 1.92 0.45 0.00 0.00 0.00 175.76 178.48 1llu h HIS 238 N 4.46 0.68 -3.94 0.00 3.86 -1.66 -0.19 115.15 118.36 1llu h HIS 238 Ca -0.48 -0.03 -0.34 0.00 -1.16 0.00 0.00 60.37 58.35 1llu h HIS 238 Cb 1.21 -0.21 -0.21 0.00 1.06 0.00 0.00 27.41 29.26 1llu h HIS 238 CO 0.66 0.55 -0.75 0.20 0.86 0.00 0.00 177.93 179.44 1llu s GLY 239 N -3.68 0.69 -0.05 2.45 0.00 -0.76 -1.70 107.32 104.28 1llu s GLY 239 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1llu s GLY 239 CO 0.77 -0.94 -0.02 0.14 0.00 0.00 0.00 173.10 173.04 1llu s VAL 240 N -1.39 0.41 -0.28 1.40 1.01 0.36 -0.53 120.40 121.37 1llu s VAL 240 Ca -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1llu s VAL 240 Cb -0.10 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.83 1llu s VAL 240 CO 0.01 0.21 0.01 -0.22 0.00 0.00 0.00 175.10 175.11 1llu s LEU 241 N 1.14 3.64 -0.53 3.92 2.96 -0.11 0.79 118.68 130.49 1llu s LEU 241 Ca -0.08 -0.91 -0.19 0.00 -0.22 0.00 0.00 54.13 52.73 1llu s LEU 241 Cb -0.14 -1.76 0.07 0.00 0.50 0.00 0.00 46.19 44.86 1llu s LEU 241 CO -0.01 -0.19 0.63 -0.69 -1.32 0.00 0.00 176.35 174.76 1llu s VAL 242 N 1.38 4.89 -0.15 1.68 1.01 -0.32 -1.41 120.40 127.48 1llu s VAL 242 Ca -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1llu s VAL 242 Cb -0.18 -4.34 -0.23 0.00 0.00 0.00 0.00 36.38 31.64 1llu s VAL 242 CO -0.01 -0.87 0.23 0.41 0.00 0.00 0.00 175.10 174.86 1llu n THR 243 N 5.56 1.57 -1.44 3.92 -1.04 0.06 -1.57 114.28 121.35 1llu n THR 243 Ca -0.08 -0.72 -0.42 0.00 -2.04 0.00 0.00 64.05 60.79 1llu n THR 243 Cb 0.44 -1.16 0.01 0.00 -1.82 0.00 0.00 70.33 67.80 1llu n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1llu n ALA 244 N -2.88 -1.67 0.70 2.41 0.00 -0.66 -4.39 120.51 114.02 1llu n ALA 244 Ca -0.32 0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1llu n ALA 244 Cb 1.06 -1.74 0.11 0.00 0.00 0.00 0.00 19.45 18.89 1llu n ALA 244 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1llu n VAL 245 N -0.91 0.14 -0.58 0.00 0.31 -1.26 -4.66 118.33 111.36 1llu n VAL 245 Ca 0.11 -0.57 -0.30 0.00 -0.01 0.00 0.00 64.34 63.57 1llu n VAL 245 Cb 0.40 1.30 0.28 0.00 -0.91 0.00 0.00 33.84 34.91 1llu n VAL 245 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1llu s SER 246 N -1.63 -0.52 -0.24 4.52 0.15 -1.26 -4.71 113.70 110.02 1llu s SER 246 Ca 0.27 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.71 1llu s SER 246 Cb 0.18 -1.10 -0.15 0.00 -1.71 0.00 0.00 66.02 63.24 1llu s SER 246 CO 0.26 -5.02 -0.22 0.59 1.20 0.00 0.00 173.24 170.05 1llu n ASN 247 N -5.39 2.11 0.13 5.45 4.13 -1.26 -4.49 115.26 115.93 1llu n ASN 247 Ca 0.13 -0.09 0.01 0.00 1.68 0.00 0.00 54.58 56.31 1llu n ASN 247 Cb 0.60 -0.41 0.02 0.00 -1.54 0.00 0.00 39.78 38.45 1llu n ASN 247 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1llu h SER 248 N -0.08 0.00 -0.70 6.41 4.64 -2.02 -3.34 113.55 118.47 1llu h SER 248 Ca -0.55 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.86 1llu h SER 248 Cb 1.81 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.83 1llu h SER 248 CO -0.11 0.56 0.36 0.00 -0.87 0.00 0.00 176.83 176.77 1llu h ALA 249 N 1.44 0.96 -0.12 5.18 0.00 -1.97 -2.26 119.26 122.50 1llu h ALA 249 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1llu h ALA 249 Cb 1.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1llu h ALA 249 CO 0.07 -0.03 -0.06 0.35 0.00 0.00 0.00 179.25 179.58 1llu h PHE 250 N 0.61 -0.14 -0.49 0.00 3.57 -1.82 -0.16 116.94 118.52 1llu h PHE 250 Ca 0.34 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1llu h PHE 250 Cb 0.34 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1llu h PHE 250 CO -0.10 -0.10 0.18 0.78 -2.23 0.00 0.00 178.31 176.84 1llu h GLY 251 N -0.05 0.75 2.00 2.40 0.00 -1.67 -1.97 103.07 104.53 1llu h GLY 251 Ca 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1llu h GLY 251 CO -0.15 0.36 -0.62 1.46 0.00 0.00 0.00 176.54 177.58 1llu h GLN 252 N 0.70 0.00 -0.35 4.80 4.20 -1.01 -2.44 115.11 121.00 1llu h GLN 252 Ca 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1llu h GLN 252 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1llu h GLN 252 CO -0.01 0.62 0.10 0.00 -0.67 0.00 0.00 178.83 178.87 1llu h ALA 253 N 1.38 0.46 -0.65 3.87 0.00 -0.30 0.12 119.26 124.13 1llu h ALA 253 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1llu h ALA 253 Cb 1.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1llu h ALA 253 CO 0.08 0.12 0.41 0.82 0.00 0.00 0.00 179.25 180.68 1llu h ILE 254 N 0.42 1.09 0.00 0.00 1.08 -1.31 -2.31 117.51 116.47 1llu h ILE 254 Ca 0.11 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.27 1llu h ILE 254 Cb 0.28 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1llu h ILE 254 CO -0.00 0.15 -0.15 1.23 -0.69 0.00 0.00 178.15 178.68 1llu h GLY 255 N 0.80 0.00 1.50 5.37 0.00 -0.99 -2.90 103.07 106.85 1llu h GLY 255 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1llu h GLY 255 CO -0.10 0.00 -0.26 1.03 0.00 0.00 0.00 176.54 177.21 1llu n MET 256 N -3.35 0.03 -2.53 4.80 2.81 -0.01 -4.84 117.12 114.04 1llu n MET 256 Ca -0.00 0.02 -0.39 0.00 -1.81 0.00 0.00 57.70 55.51 1llu n MET 256 Cb 0.37 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 1llu n MET 256 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1llu s ALA 257 N -3.02 3.33 0.69 3.04 0.00 -1.07 -1.25 121.76 123.47 1llu s ALA 257 Ca 0.12 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1llu s ALA 257 Cb 0.18 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1llu s ALA 257 CO 0.62 -0.12 1.06 0.50 0.00 0.00 0.00 175.76 177.82 1llu s ARG 258 N -1.65 3.03 0.28 0.00 3.52 -0.08 -4.63 118.95 119.42 1llu s ARG 258 Ca 0.47 0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 1llu s ARG 258 Cb -0.29 -2.01 -0.11 0.00 -1.56 0.00 0.00 34.95 30.98 1llu s ARG 258 CO 0.37 -1.00 1.60 1.03 -0.81 0.00 0.00 175.30 176.49 1llu s ARG 259 N -5.11 4.13 0.00 5.12 0.52 -1.26 -0.90 118.95 121.45 1llu s ARG 259 Ca 0.57 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 58.35 1llu s ARG 259 Cb -0.13 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1llu s ARG 259 CO 0.54 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1llu n GLY 260 N 2.42 0.50 3.92 -3.53 0.00 0.12 -5.01 105.19 103.59 1llu n GLY 260 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1llu n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1llu s GLY 261 N -2.00 1.68 -0.08 -0.02 0.00 -0.07 -4.81 107.32 102.02 1llu s GLY 261 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.81 1llu s GLY 261 CO 0.00 -0.33 -0.15 -1.59 0.00 0.00 0.00 173.10 171.03 1llu s THR 262 N -3.67 1.38 -0.38 0.90 2.01 -0.69 -1.53 115.64 113.67 1llu s THR 262 Ca 0.67 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1llu s THR 262 Cb -0.08 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1llu s THR 262 CO 0.50 0.41 0.24 -0.63 -0.69 0.00 0.00 174.62 174.45 1llu s ILE 263 N 0.60 4.90 -0.28 1.82 1.09 0.11 -0.49 121.20 128.95 1llu s ILE 263 Ca -0.15 -0.68 -0.16 0.00 -1.10 0.00 0.00 60.65 58.56 1llu s ILE 263 Cb -0.16 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1llu s ILE 263 CO 0.05 -0.21 0.43 0.00 -0.10 0.00 0.00 174.94 175.11 1llu s ALA 264 N 1.62 3.55 -0.19 9.38 0.00 0.24 -0.87 121.76 135.49 1llu s ALA 264 Ca 0.04 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 1llu s ALA 264 Cb -0.19 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1llu s ALA 264 CO 0.08 -0.78 0.41 -0.51 0.00 0.00 0.00 175.76 174.96 1llu s LEU 265 N 2.17 4.17 0.00 0.00 1.43 0.75 -1.17 118.68 126.03 1llu s LEU 265 Ca 0.17 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1llu s LEU 265 Cb -0.16 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1llu s LEU 265 CO 0.10 -0.07 0.00 0.55 0.23 0.00 0.00 176.35 177.16 1llu n VAL 266 N 4.27 0.00 -1.93 -1.59 3.14 -1.11 -1.20 118.33 119.91 1llu n VAL 266 Ca -0.08 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.93 1llu n VAL 266 Cb 0.51 -0.68 0.04 0.00 -1.06 0.00 0.00 33.84 32.65 1llu n VAL 266 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1llu s GLY 267 N -2.79 2.79 -0.53 7.55 0.00 -0.61 -4.98 107.32 108.75 1llu s GLY 267 Ca 0.00 1.10 0.04 0.00 0.00 0.00 0.00 44.72 45.86 1llu s GLY 267 CO 0.00 1.52 1.29 1.04 0.00 0.00 0.00 173.10 176.94 1llu n LEU 268 N -1.55 5.27 -4.77 0.66 4.77 -1.26 -5.04 117.00 115.09 1llu n LEU 268 Ca 0.14 -5.17 -0.33 0.00 -0.03 0.00 0.00 56.01 50.61 1llu n LEU 268 Cb 0.49 -0.59 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1llu n LEU 268 CO 0.46 2.15 0.75 -2.16 -1.33 0.00 0.00 177.39 177.26 1llu s PRO 269 N -3.65 2.75 0.40 3.23 0.04 -1.26 -5.02 135.00 131.49 1llu s PRO 269 Ca 0.49 1.42 -0.06 0.00 0.04 0.00 0.00 61.00 62.89 1llu s PRO 269 Cb 0.40 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.95 1llu s PRO 269 CO -0.23 -1.29 0.70 -1.25 0.04 0.00 0.00 177.00 174.97 1llu s PRO 270 N -4.07 3.63 0.00 0.56 0.04 -1.26 -5.00 135.00 128.90 1llu s PRO 270 Ca 0.68 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1llu s PRO 270 Cb -0.21 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1llu s PRO 270 CO 0.42 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.84 1llu n GLY 271 N -1.62 -0.56 3.79 0.56 0.00 -1.26 -4.97 105.19 101.14 1llu n GLY 271 Ca 0.00 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1llu n GLY 271 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1llu s ASP 272 N -2.74 7.23 -0.19 1.61 1.11 -1.26 -5.07 116.67 117.37 1llu s ASP 272 Ca 0.00 1.67 -0.00 0.00 0.18 0.00 0.00 52.55 54.39 1llu s ASP 272 Cb 0.00 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.48 1llu s ASP 272 CO 0.00 -0.02 -0.15 -0.36 1.18 0.00 0.00 175.17 175.82 1llu s PHE 273 N -1.57 2.83 0.20 4.23 0.40 -1.26 -5.09 117.98 117.71 1llu s PHE 273 Ca 0.47 -1.38 -0.32 0.00 -0.60 0.00 0.00 56.93 55.10 1llu s PHE 273 Cb -0.18 -1.97 -0.11 0.00 0.51 0.00 0.00 43.02 41.27 1llu s PHE 273 CO 0.23 -0.70 1.68 -1.25 0.70 0.00 0.00 175.22 175.88 1llu s PRO 274 N 1.29 4.15 -0.07 0.24 0.04 -1.26 -5.00 135.00 134.38 1llu s PRO 274 Ca 0.04 2.55 0.03 0.00 0.04 0.00 0.00 61.00 63.66 1llu s PRO 274 Cb -0.14 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.32 1llu s PRO 274 CO -0.09 -0.72 -0.17 0.99 0.04 0.00 0.00 177.00 177.06 1llu s THR 275 N 1.14 1.45 -0.35 1.26 2.01 -1.26 -4.88 115.64 115.01 1llu s THR 275 Ca 0.73 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 1llu s THR 275 Cb -0.48 -1.28 -0.07 0.00 0.01 0.00 0.00 72.50 70.68 1llu s THR 275 CO 0.32 0.42 2.30 -2.65 -0.69 0.00 0.00 174.62 174.33 1llu n PRO 276 N 3.55 1.46 0.08 4.92 -0.02 -1.26 -4.89 135.00 138.84 1llu n PRO 276 Ca -0.21 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.45 1llu n PRO 276 Cb 0.52 -3.14 -0.07 0.00 -0.02 0.00 0.00 33.50 30.80 1llu n PRO 276 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1llu h ILE 277 N 7.36 0.90 -0.50 4.25 2.04 -1.99 -2.02 117.51 127.56 1llu h ILE 277 Ca -0.32 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.61 1llu h ILE 277 Cb 1.26 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 1llu h ILE 277 CO 1.05 0.00 0.18 0.15 0.00 0.00 0.00 178.15 179.53 1llu h PHE 278 N -0.11 0.31 -0.28 1.37 3.57 -1.99 -1.27 116.94 118.54 1llu h PHE 278 Ca -0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1llu h PHE 278 Cb 0.10 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1llu h PHE 278 CO -0.08 0.10 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.66 1llu h ASP 279 N 0.35 0.49 -0.33 0.41 3.32 -1.95 -1.32 116.42 117.39 1llu h ASP 279 Ca 0.24 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1llu h ASP 279 Cb 0.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1llu h ASP 279 CO -0.24 0.68 0.01 0.58 -1.72 0.00 0.00 179.24 178.54 1llu h VAL 280 N 0.28 1.25 0.42 -1.35 2.07 -1.16 -1.54 116.25 116.22 1llu h VAL 280 Ca 0.08 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1llu h VAL 280 Cb 0.43 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1llu h VAL 280 CO 0.01 0.31 -0.20 0.58 0.02 0.00 0.00 177.57 178.29 1llu h VAL 281 N 0.39 0.00 0.00 2.57 2.07 -1.28 -0.82 116.25 119.19 1llu h VAL 281 Ca 0.10 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1llu h VAL 281 Cb 0.43 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1llu h VAL 281 CO 0.02 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.50 1llu h LEU 282 N -0.96 0.00 -1.69 2.57 4.07 -1.35 -0.94 115.31 117.02 1llu h LEU 282 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1llu h LEU 282 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1llu h LEU 282 CO 0.09 0.03 0.00 0.29 -1.08 0.00 0.00 178.44 177.78 1llu n LYS 283 N -3.97 2.14 -3.84 1.13 5.02 -0.58 -4.97 118.16 113.09 1llu n LYS 283 Ca -0.03 -1.68 -0.25 0.00 -2.02 0.00 0.00 58.31 54.33 1llu n LYS 283 Cb 0.12 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1llu n LYS 283 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1llu n GLY 284 N 1.32 -0.33 3.82 0.72 0.00 -0.36 0.12 105.19 110.48 1llu n GLY 284 Ca 0.17 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 1llu n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1llu s LEU 285 N -6.92 3.96 -0.05 0.99 1.43 -0.37 -3.40 118.68 114.32 1llu s LEU 285 Ca 0.20 1.67 0.07 0.00 -1.03 0.00 0.00 54.13 55.04 1llu s LEU 285 Cb -0.10 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 1llu s LEU 285 CO 0.84 -0.34 -0.25 -1.00 0.23 0.00 0.00 176.35 175.83 1llu s HIS 286 N -2.15 2.39 -0.18 0.29 3.76 -0.58 -4.89 115.29 113.92 1llu s HIS 286 Ca 0.61 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1llu s HIS 286 Cb -0.09 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1llu s HIS 286 CO 0.14 -0.16 -0.14 0.42 -0.85 0.00 0.00 174.74 174.14 1llu s ILE 287 N -0.30 2.61 -0.14 0.60 1.01 -1.26 0.06 121.20 123.78 1llu s ILE 287 Ca 0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1llu s ILE 287 Cb -0.12 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.23 1llu s ILE 287 CO 0.02 0.50 -0.21 0.00 0.00 0.00 0.00 174.94 175.26 1llu s ALA 288 N 1.14 2.20 -0.05 9.38 0.00 -0.05 -4.97 121.76 129.41 1llu s ALA 288 Ca 0.01 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1llu s ALA 288 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1llu s ALA 288 CO -0.05 -0.09 0.70 0.20 0.00 0.00 0.00 175.76 176.51 1llu s GLY 289 N 0.92 2.64 -0.10 0.00 0.00 -1.26 -0.18 107.32 109.34 1llu s GLY 289 Ca -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 44.72 44.81 1llu s GLY 289 CO -0.04 1.15 -0.08 -0.45 0.00 0.00 0.00 173.10 173.68 1llu s SER 290 N 0.65 2.06 -0.20 1.64 0.15 -0.34 -4.93 113.70 112.74 1llu s SER 290 Ca 0.37 -0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.68 1llu s SER 290 Cb -0.18 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.30 1llu s SER 290 CO 0.19 -0.11 0.02 -0.63 1.20 0.00 0.00 173.24 173.91 1llu s ILE 291 N 1.59 4.15 0.00 6.45 1.09 -1.26 -4.53 121.20 128.69 1llu s ILE 291 Ca 0.02 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.33 1llu s ILE 291 Cb -0.13 -2.88 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 1llu s ILE 291 CO -0.06 0.43 0.00 1.33 -0.10 0.00 0.00 174.94 176.54 1llu n VAL 292 N 4.10 0.00 -3.95 2.92 0.24 -1.26 -4.77 118.33 115.61 1llu n VAL 292 Ca -0.17 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 1llu n VAL 292 Cb 0.52 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 1llu n VAL 292 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1llu s GLY 293 N 0.00 0.57 0.59 7.63 0.00 -1.26 -4.12 107.32 110.73 1llu s GLY 293 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1llu s GLY 293 CO 0.00 -0.54 0.85 -1.08 0.00 0.00 0.00 173.10 172.33 1llu s THR 294 N -3.48 2.73 0.40 0.90 -1.32 -1.26 -4.78 115.64 108.82 1llu s THR 294 Ca 0.21 -0.49 0.06 0.00 -1.21 0.00 0.00 61.69 60.26 1llu s THR 294 Cb -0.02 -3.07 0.27 0.00 -1.51 0.00 0.00 72.50 68.16 1llu s THR 294 CO 0.11 -0.06 2.05 0.03 -2.21 0.00 0.00 174.62 174.54 1llu h ARG 295 N -0.12 0.60 -0.30 7.08 3.08 -1.96 0.20 114.38 122.97 1llu h ARG 295 Ca -0.43 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 1llu h ARG 295 Cb 1.30 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1llu h ARG 295 CO 0.56 0.40 -0.08 0.00 -1.07 0.00 0.00 179.97 179.77 1llu h ALA 296 N 1.72 0.41 -0.61 0.04 0.00 -1.98 -1.34 119.26 117.50 1llu h ALA 296 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1llu h ALA 296 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1llu h ALA 296 CO -0.04 0.24 0.39 -0.44 0.00 0.00 0.00 179.25 179.41 1llu h ASP 297 N 0.34 0.71 -0.19 0.00 3.32 -1.64 -0.99 116.42 117.95 1llu h ASP 297 Ca 0.07 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1llu h ASP 297 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1llu h ASP 297 CO 0.03 0.52 0.12 0.25 -1.72 0.00 0.00 179.24 178.45 1llu h LEU 298 N 0.82 0.22 -0.83 1.55 5.85 -0.53 0.14 115.31 122.54 1llu h LEU 298 Ca 0.22 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1llu h LEU 298 Cb -0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1llu h LEU 298 CO -0.05 0.18 0.32 1.56 -0.34 0.00 0.00 178.44 180.11 1llu h GLN 299 N 0.25 1.17 -0.48 1.25 1.08 -1.04 0.64 115.11 117.99 1llu h GLN 299 Ca 0.07 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1llu h GLN 299 Cb -0.01 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1llu h GLN 299 CO -0.01 0.95 0.12 0.93 -0.95 0.00 0.00 178.83 179.87 1llu h GLU 300 N 1.15 0.77 -0.48 1.46 5.08 -0.89 -1.11 114.58 120.56 1llu h GLU 300 Ca 0.26 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1llu h GLU 300 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1llu h GLU 300 CO -0.02 0.75 -0.03 0.00 -1.00 0.00 0.00 179.01 178.71 1llu h ALA 301 N 0.99 1.05 -0.42 3.43 0.00 -0.38 -2.62 119.26 121.31 1llu h ALA 301 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1llu h ALA 301 Cb 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1llu h ALA 301 CO 0.00 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.66 1llu h LEU 302 N 0.75 0.75 -1.33 0.00 3.38 -0.60 -2.97 115.31 115.29 1llu h LEU 302 Ca 0.14 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1llu h LEU 302 Cb 0.50 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1llu h LEU 302 CO 0.03 0.88 0.46 0.44 0.09 0.00 0.00 178.44 180.33 1llu h ASP 303 N 0.69 0.78 -0.27 -0.43 3.45 -0.83 -0.67 116.42 119.14 1llu h ASP 303 Ca 0.12 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1llu h ASP 303 Cb 0.58 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 1llu h ASP 303 CO 0.04 0.56 -0.07 -0.26 -1.57 0.00 0.00 179.24 177.93 1llu h PHE 304 N 0.92 0.70 -0.24 4.55 -1.00 -1.37 -0.07 116.94 120.42 1llu h PHE 304 Ca 0.26 -0.10 -0.08 0.00 2.81 0.00 0.00 57.97 60.86 1llu h PHE 304 Cb -0.07 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 1llu h PHE 304 CO -0.00 0.70 -0.16 0.00 -1.61 0.00 0.00 178.31 177.24 1llu h ALA 305 N 1.32 0.35 -0.54 2.45 0.00 -1.32 -0.94 119.26 120.58 1llu h ALA 305 Ca 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1llu h ALA 305 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1llu h ALA 305 CO 0.03 0.25 0.36 0.78 0.00 0.00 0.00 179.25 180.66 1llu h GLY 306 N 0.25 0.72 1.79 0.00 0.00 -0.77 0.83 103.07 105.90 1llu h GLY 306 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1llu h GLY 306 CO 0.04 0.23 0.00 1.18 0.00 0.00 0.00 176.54 178.00 1llu n GLU 307 N -4.47 0.19 -1.06 4.80 -0.58 -0.07 -4.90 120.64 114.55 1llu n GLU 307 Ca 0.06 0.04 -0.02 0.00 -0.42 0.00 0.00 57.16 56.82 1llu n GLU 307 Cb 0.11 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1llu n GLU 307 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1llu n GLY 308 N 1.12 0.55 0.07 0.62 0.00 0.29 -4.91 105.19 102.92 1llu n GLY 308 Ca 0.10 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1llu n GLY 308 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1llu n LEU 309 N -0.23 0.68 -3.75 0.99 4.77 -0.39 -4.74 117.00 114.33 1llu n LEU 309 Ca -0.02 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.09 1llu n LEU 309 Cb 0.09 -0.25 -0.17 0.00 -2.33 0.00 0.00 43.42 40.75 1llu n LEU 309 CO 0.03 -0.08 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.96 1llu s VAL 310 N -3.12 0.16 -0.20 4.08 1.01 -1.19 -4.74 120.40 116.41 1llu s VAL 310 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1llu s VAL 310 Cb 0.14 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.22 1llu s VAL 310 CO 0.67 0.21 -0.06 -0.54 0.00 0.00 0.00 175.10 175.38 1llu s LYS 311 N 1.81 1.58 0.45 2.72 3.01 -1.26 -4.46 119.74 123.59 1llu s LYS 311 Ca 0.01 -0.73 -0.23 0.00 -1.01 0.00 0.00 55.97 54.02 1llu s LYS 311 Cb -0.12 -2.29 -0.08 0.00 -1.01 0.00 0.00 37.83 34.33 1llu s LYS 311 CO -0.04 -0.49 1.12 0.00 0.51 0.00 0.00 175.35 176.45 1llu s ALA 312 N 1.52 2.99 -0.96 5.17 0.00 -1.26 -4.95 121.76 124.27 1llu s ALA 312 Ca -0.02 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 1llu s ALA 312 Cb -0.17 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.78 1llu s ALA 312 CO -0.07 -0.50 1.09 0.99 0.00 0.00 0.00 175.76 177.26 1llu s THR 313 N -1.62 5.05 0.13 0.00 2.01 -1.26 -5.02 115.64 114.93 1llu s THR 313 Ca 0.63 -2.04 -0.07 0.00 0.31 0.00 0.00 61.69 60.52 1llu s THR 313 Cb -0.25 -4.72 -0.06 0.00 0.01 0.00 0.00 72.50 67.48 1llu s THR 313 CO 0.31 -1.39 0.40 0.27 -0.69 0.00 0.00 174.62 173.52 1llu s ILE 314 N 1.72 5.12 -0.11 1.82 -0.00 -1.26 -0.68 121.20 127.80 1llu s ILE 314 Ca 0.31 0.21 0.00 0.00 -0.00 0.00 0.00 60.65 61.17 1llu s ILE 314 Cb -0.06 -3.63 0.02 0.00 -0.00 0.00 0.00 42.46 38.79 1llu s ILE 314 CO -0.08 0.10 -0.11 -1.00 -0.00 0.00 0.00 174.94 173.85 1llu s HIS 315 N -1.60 1.72 0.74 1.37 3.76 0.40 -4.91 115.29 116.77 1llu s HIS 315 Ca 0.39 -0.85 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 1llu s HIS 315 Cb -0.13 -1.32 0.03 0.00 1.11 0.00 0.00 32.58 32.27 1llu s HIS 315 CO 0.22 -0.51 1.11 -0.35 -0.85 0.00 0.00 174.74 174.36 1llu n PRO 316 N 4.62 0.51 -3.59 8.40 -0.04 -1.26 -2.06 135.00 141.58 1llu n PRO 316 Ca -0.16 0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 63.38 1llu n PRO 316 Cb 0.50 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 1llu n PRO 316 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1llu s GLY 317 N -1.75 -0.43 0.04 0.55 0.00 -0.92 -4.82 107.32 99.98 1llu s GLY 317 Ca 0.75 0.85 -0.03 0.00 0.00 0.00 0.00 44.72 46.29 1llu s GLY 317 CO 0.49 0.55 0.25 0.54 0.00 0.00 0.00 173.10 174.92 1llu s LYS 318 N -1.63 3.51 0.31 2.90 1.02 -1.26 -0.60 119.74 124.00 1llu s LYS 318 Ca -0.10 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1llu s LYS 318 Cb -0.01 -3.03 0.62 0.00 -0.52 0.00 0.00 37.83 34.89 1llu s LYS 318 CO 0.05 0.61 1.88 1.25 -0.92 0.00 0.00 175.35 178.22 1llu h LEU 319 N 3.48 0.84 -0.68 3.17 5.85 -1.96 -2.56 115.31 123.45 1llu h LEU 319 Ca -0.48 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.14 1llu h LEU 319 Cb 1.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1llu h LEU 319 CO 0.71 0.48 -0.63 -2.24 -0.34 0.00 0.00 178.44 176.42 1llu h ASP 320 N 0.92 0.00 0.00 1.25 2.03 -1.98 -2.86 116.42 115.78 1llu h ASP 320 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 1llu h ASP 320 Cb 0.44 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1llu h ASP 320 CO -0.20 0.63 0.00 0.47 -1.03 0.00 0.00 179.24 179.11 1llu n ASP 321 N -3.70 0.05 -0.24 4.15 8.00 -0.97 -4.22 116.55 119.62 1llu n ASP 321 Ca -0.01 -1.87 0.04 0.00 0.71 0.00 0.00 54.79 53.66 1llu n ASP 321 Cb 0.64 -0.02 0.17 0.00 -0.02 0.00 0.00 41.12 41.89 1llu n ASP 321 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1llu h ILE 322 N 0.00 0.66 -0.90 0.53 6.09 -1.53 -1.62 117.51 120.74 1llu h ILE 322 Ca 0.00 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 1llu h ILE 322 Cb 0.02 0.22 -0.04 0.00 0.47 0.00 0.00 36.82 37.49 1llu h ILE 322 CO 0.00 0.07 0.53 0.78 -3.07 0.00 0.00 178.15 176.46 1llu h ASN 323 N 0.40 1.09 -0.59 2.19 2.35 -1.86 0.69 115.58 119.85 1llu h ASN 323 Ca 0.39 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1llu h ASN 323 Cb 0.58 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1llu h ASN 323 CO -0.40 0.85 0.17 -0.61 -1.65 0.00 0.00 177.43 175.79 1llu h GLN 324 N 1.25 0.92 -0.13 0.81 4.15 -1.66 -1.80 115.11 118.65 1llu h GLN 324 Ca 0.32 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1llu h GLN 324 Cb -0.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1llu h GLN 324 CO -0.06 0.83 0.09 0.82 -1.93 0.00 0.00 178.83 178.58 1llu h ILE 325 N 0.84 1.04 -0.38 2.39 2.04 -0.46 -1.44 117.51 121.54 1llu h ILE 325 Ca 0.19 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1llu h ILE 325 Cb 0.30 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1llu h ILE 325 CO -0.00 0.03 0.24 -0.07 0.00 0.00 0.00 178.15 178.35 1llu h LEU 326 N 0.18 0.45 -2.07 1.44 3.38 -0.73 -1.56 115.31 116.40 1llu h LEU 326 Ca 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1llu h LEU 326 Cb -0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1llu h LEU 326 CO -0.01 0.35 -0.08 0.44 0.09 0.00 0.00 178.44 179.23 1llu h ASP 327 N 0.51 0.00 0.55 -0.43 3.32 -1.18 -0.47 116.42 118.71 1llu h ASP 327 Ca 0.14 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 1llu h ASP 327 Cb -0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1llu h ASP 327 CO -0.03 0.08 -0.75 -0.61 -1.72 0.00 0.00 179.24 176.22 1llu h GLN 328 N 0.00 0.16 0.04 3.56 4.15 -0.32 -2.71 115.11 119.99 1llu h GLN 328 Ca -0.00 -0.14 -0.24 0.00 0.77 0.00 0.00 58.65 59.04 1llu h GLN 328 Cb 0.19 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1llu h GLN 328 CO 0.01 0.83 -1.20 1.98 -1.93 0.00 0.00 178.83 178.52 1llu h MET 329 N 0.10 0.08 0.00 1.69 4.05 -0.38 0.26 114.93 120.73 1llu h MET 329 Ca -0.02 -0.13 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 1llu h MET 329 Cb 1.31 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 1llu h MET 329 CO 0.11 0.98 -0.33 0.07 0.23 0.00 0.00 176.91 177.97 1llu h ARG 330 N 0.02 0.00 -0.01 0.39 0.11 -1.16 -1.84 114.38 111.90 1llu h ARG 330 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1llu h ARG 330 Cb 1.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.95 1llu h ARG 330 CO 0.14 0.33 -0.37 0.00 0.10 0.00 0.00 179.97 180.16 1llu n ALA 331 N -2.34 3.32 -2.68 0.08 0.00 -1.02 -4.96 120.51 112.91 1llu n ALA 331 Ca -0.01 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 52.86 1llu n ALA 331 Cb 0.43 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.82 1llu n ALA 331 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1llu n GLY 332 N 1.39 -0.18 1.78 0.00 0.00 -0.69 -4.92 105.19 102.58 1llu n GLY 332 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1llu n GLY 332 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1llu n GLN 333 N -2.90 4.51 -3.87 1.61 6.02 0.85 -4.92 117.38 118.67 1llu n GLN 333 Ca -0.10 -2.97 -0.35 0.00 -0.01 0.00 0.00 57.00 53.57 1llu n GLN 333 Cb 0.60 -2.16 -0.09 0.00 1.02 0.00 0.00 30.24 29.61 1llu n GLN 333 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1llu s ILE 334 N -2.50 5.12 -0.78 5.09 1.01 -1.25 -4.97 121.20 122.92 1llu s ILE 334 Ca 0.52 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1llu s ILE 334 Cb 0.38 -3.32 0.21 0.00 0.01 0.00 0.00 42.46 39.74 1llu s ILE 334 CO 0.17 0.46 0.69 -0.70 0.00 0.00 0.00 174.94 175.56 1llu s GLU 335 N 0.30 3.32 0.00 2.79 -6.30 -1.26 -4.93 118.70 112.61 1llu s GLU 335 Ca 0.06 -2.54 0.00 0.00 -2.50 0.00 0.00 54.97 49.99 1llu s GLU 335 Cb -0.12 -4.22 0.00 0.00 0.00 0.00 0.00 34.13 29.80 1llu s GLU 335 CO -0.01 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.43 1llu n GLY 336 N 3.73 0.64 3.13 -1.50 0.00 -1.26 -4.83 105.19 105.09 1llu n GLY 336 Ca 0.13 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 1llu n GLY 336 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1llu s ARG 337 N 0.00 2.03 -0.35 1.61 6.06 0.14 -4.01 118.95 124.43 1llu s ARG 337 Ca 0.00 -0.63 -0.16 0.00 -2.50 0.00 0.00 55.73 52.44 1llu s ARG 337 Cb 0.00 -1.69 -0.01 0.00 0.06 0.00 0.00 34.95 33.32 1llu s ARG 337 CO 0.00 0.19 0.38 0.42 -2.50 0.00 0.00 175.30 173.79 1llu s ILE 338 N 0.22 5.15 -0.21 4.11 1.01 -1.26 -0.45 121.20 129.77 1llu s ILE 338 Ca -0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1llu s ILE 338 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1llu s ILE 338 CO 0.04 -0.15 0.02 -0.69 0.00 0.00 0.00 174.94 174.16 1llu s VAL 339 N 2.05 4.14 0.05 2.92 1.01 -0.87 -0.81 120.40 128.89 1llu s VAL 339 Ca 0.12 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1llu s VAL 339 Cb -0.17 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1llu s VAL 339 CO 0.12 0.41 1.11 -0.76 0.00 0.00 0.00 175.10 175.98 1llu s LEU 340 N 1.06 4.38 0.18 3.92 1.43 0.21 -2.18 118.68 127.68 1llu s LEU 340 Ca 0.03 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.87 1llu s LEU 340 Cb -0.14 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1llu s LEU 340 CO 0.02 -0.37 0.60 -1.61 0.23 0.00 0.00 176.35 175.21 1llu s GLU 341 N 0.93 4.02 0.00 1.70 0.41 0.23 -1.53 118.70 124.47 1llu s GLU 341 Ca 0.56 0.56 0.00 0.00 -0.41 0.00 0.00 54.97 55.67 1llu s GLU 341 Cb -0.26 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 1llu s GLU 341 CO 0.29 0.42 0.00 -1.33 -0.49 0.00 0.00 175.26 174.15