#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 -3.11 -0.63 -4.42 4.32 -1.26 -4.88 117.00 107.02 1llu n LEU 3 Ca 0.00 0.63 0.49 0.00 -0.02 0.00 0.00 56.01 57.11 1llu n LEU 3 Cb 0.00 -1.61 0.77 0.00 -1.62 0.00 0.00 43.42 40.95 1llu n LEU 3 CO 0.00 -1.08 1.38 -2.65 -1.22 0.00 0.00 177.39 173.83 1llu n PRO 4 N 0.46 -0.01 0.00 3.23 -0.02 -1.26 -4.80 135.00 132.59 1llu n PRO 4 Ca -0.11 1.10 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1llu n PRO 4 Cb 0.17 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1llu n PRO 4 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1llu n GLN 5 N -4.09 0.00 -3.86 -0.52 7.27 -1.26 -4.88 117.38 110.03 1llu n GLN 5 Ca 0.42 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.38 1llu n GLN 5 Cb 1.86 -1.28 -0.10 0.00 2.41 0.00 0.00 30.24 33.13 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 -0.99 0.08 0.15 1.69 -1.32 -1.26 -2.58 115.64 111.42 1llu s THR 6 Ca 0.00 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 59.71 1llu s THR 6 Cb 0.00 -0.43 0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1llu s THR 6 CO 0.00 -0.36 0.36 0.00 -2.21 0.00 0.00 174.62 172.41 1llu s MET 7 N -1.31 1.15 0.10 7.08 0.23 0.22 -4.75 119.30 122.02 1llu s MET 7 Ca -0.14 -0.96 -0.12 0.00 -1.03 0.00 0.00 55.69 53.44 1llu s MET 7 Cb -0.07 0.43 -0.06 0.00 -1.53 0.00 0.00 34.83 33.60 1llu s MET 7 CO 0.02 -0.44 0.47 0.15 -2.03 0.00 0.00 175.02 173.18 1llu s LYS 8 N -3.89 3.87 0.00 3.16 1.02 -1.26 -0.79 119.74 121.85 1llu s LYS 8 Ca 0.10 0.33 -0.20 0.00 0.02 0.00 0.00 55.97 56.23 1llu s LYS 8 Cb 0.02 -2.98 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1llu s LYS 8 CO -0.05 0.53 0.43 0.00 -0.92 0.00 0.00 175.35 175.34 1llu s ALA 9 N -1.40 -1.08 -0.26 5.17 0.00 -0.67 -2.58 121.76 120.94 1llu s ALA 9 Ca 0.34 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.70 1llu s ALA 9 Cb -0.15 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1llu s ALA 9 CO 0.18 -0.37 0.29 0.00 0.00 0.00 0.00 175.76 175.87 1llu s ALA 10 N -1.78 3.56 -0.03 0.00 0.00 0.34 -1.22 121.76 122.63 1llu s ALA 10 Ca -0.10 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1llu s ALA 10 Cb -0.02 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1llu s ALA 10 CO 0.03 -0.54 -0.12 0.08 0.00 0.00 0.00 175.76 175.20 1llu s VAL 11 N 1.80 3.22 -0.31 0.00 1.01 -0.52 -4.21 120.40 121.38 1llu s VAL 11 Ca 0.12 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1llu s VAL 11 Cb -0.16 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1llu s VAL 11 CO 0.10 0.51 0.20 -0.69 0.00 0.00 0.00 175.10 175.22 1llu s VAL 12 N -0.83 5.12 -0.09 2.92 1.01 -0.15 -1.35 120.40 127.03 1llu s VAL 12 Ca 0.13 -0.15 0.15 0.00 0.00 0.00 0.00 61.98 62.11 1llu s VAL 12 Cb -0.11 -3.57 -0.22 0.00 0.00 0.00 0.00 36.38 32.49 1llu s VAL 12 CO 0.03 0.09 0.19 0.00 0.00 0.00 0.00 175.10 175.41 1llu n HIS 13 N 5.06 0.00 -3.77 5.22 1.44 -1.26 -2.18 115.22 119.73 1llu n HIS 13 Ca -0.13 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.45 1llu n HIS 13 Cb 0.50 -0.58 -0.11 0.00 0.12 0.00 0.00 29.99 29.92 1llu n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1llu s ALA 14 N -2.72 -0.73 0.17 1.59 0.00 -1.26 -4.75 121.76 114.06 1llu s ALA 14 Ca -0.07 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.41 1llu s ALA 14 Cb 0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 1llu s ALA 14 CO 0.65 -0.14 1.61 0.71 0.00 0.00 0.00 175.76 178.59 1llu s TYR 15 N 0.17 2.97 0.00 0.00 4.12 -1.26 -1.80 117.35 121.56 1llu s TYR 15 Ca -0.00 0.54 0.00 0.00 0.02 0.00 0.00 57.07 57.63 1llu s TYR 15 Cb -0.02 -3.98 0.00 0.00 -1.52 0.00 0.00 41.96 36.44 1llu s TYR 15 CO 0.00 -3.65 0.00 0.41 0.02 0.00 0.00 175.55 172.33 1llu n GLY 16 N 3.82 3.18 3.84 0.71 0.00 -0.73 -4.97 105.19 111.05 1llu n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.79 3.22 0.57 4.61 0.00 -0.74 -5.03 121.76 122.59 1llu s ALA 17 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 51.96 51.95 1llu s ALA 17 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1llu s ALA 17 CO 0.00 0.25 1.30 -2.30 0.00 0.00 0.00 175.76 175.02 1llu n PRO 18 N -0.40 1.48 -2.14 0.00 -0.02 -1.26 -4.80 135.00 127.86 1llu n PRO 18 Ca 0.05 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.75 1llu n PRO 18 Cb 0.53 -2.52 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1llu n PRO 18 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1llu s LEU 19 N -3.47 3.54 -0.17 2.45 1.02 -1.26 -4.77 118.68 116.02 1llu s LEU 19 Ca 0.74 1.77 0.00 0.00 0.02 0.00 0.00 54.13 56.67 1llu s LEU 19 Cb -0.41 -4.53 0.01 0.00 0.02 0.00 0.00 46.19 41.27 1llu s LEU 19 CO 0.47 -1.03 -0.16 -0.13 0.02 0.00 0.00 176.35 175.52 1llu s ARG 20 N -4.04 3.14 -0.24 1.70 0.52 -0.45 -4.89 118.95 114.68 1llu s ARG 20 Ca 0.63 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 1llu s ARG 20 Cb -0.15 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.70 1llu s ARG 20 CO 0.35 -0.08 1.11 0.42 0.02 0.00 0.00 175.30 177.12 1llu s ILE 21 N 1.03 4.53 0.16 1.52 1.09 -1.26 -1.44 121.20 126.83 1llu s ILE 21 Ca -0.01 1.83 -0.05 0.00 -1.10 0.00 0.00 60.65 61.32 1llu s ILE 21 Cb -0.15 -4.26 -0.02 0.00 -1.06 0.00 0.00 42.46 36.97 1llu s ILE 21 CO -0.04 -0.25 0.19 -1.83 -0.10 0.00 0.00 174.94 172.90 1llu s GLU 22 N 3.42 1.10 -0.10 2.79 -1.05 -0.36 -4.95 118.70 119.55 1llu s GLU 22 Ca 0.47 -1.34 -0.24 0.00 -0.15 0.00 0.00 54.97 53.71 1llu s GLU 22 Cb -0.16 0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1llu s GLU 22 CO 0.11 -0.37 0.73 -2.00 0.95 0.00 0.00 175.26 174.68 1llu s GLU 23 N -4.03 4.38 0.16 -4.83 2.12 -1.26 -1.67 118.70 113.58 1llu s GLU 23 Ca 0.23 0.90 0.05 0.00 0.36 0.00 0.00 54.97 56.51 1llu s GLU 23 Cb 0.05 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1llu s GLU 23 CO 0.03 -0.06 -0.09 0.14 -0.54 0.00 0.00 175.26 174.73 1llu s VAL 24 N 1.24 1.19 0.24 3.70 -7.23 0.03 -4.94 120.40 114.63 1llu s VAL 24 Ca 0.37 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 1llu s VAL 24 Cb -0.17 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 1llu s VAL 24 CO 0.16 -0.70 1.18 -0.54 -0.31 0.00 0.00 175.10 174.90 1llu s LYS 25 N -3.75 4.53 -0.11 4.82 1.02 -1.26 -0.61 119.74 124.37 1llu s LYS 25 Ca 0.18 1.90 -0.30 0.00 0.02 0.00 0.00 55.97 57.78 1llu s LYS 25 Cb 0.03 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1llu s LYS 25 CO 0.02 0.01 1.19 0.08 -0.92 0.00 0.00 175.35 175.73 1llu s VAL 26 N -0.64 4.34 0.75 3.17 1.01 -1.06 -4.82 120.40 123.16 1llu s VAL 26 Ca 0.49 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 64.00 1llu s VAL 26 Cb -0.34 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.03 1llu s VAL 26 CO 0.41 -0.06 1.12 -2.84 0.00 0.00 0.00 175.10 173.73 1llu s PRO 27 N 2.68 2.25 -0.11 2.72 0.02 -1.26 -4.85 135.00 136.44 1llu s PRO 27 Ca 0.54 1.35 0.01 0.00 0.02 0.00 0.00 61.00 62.92 1llu s PRO 27 Cb -0.22 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 1llu s PRO 27 CO 0.18 -1.67 -0.14 -0.51 -0.33 0.00 0.00 177.00 174.52 1llu s LEU 28 N -5.61 2.67 -0.12 -5.54 1.43 -1.26 -4.98 118.68 105.27 1llu s LEU 28 Ca 0.65 -0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 53.11 1llu s LEU 28 Cb -0.20 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1llu s LEU 28 CO 0.51 0.20 2.04 -2.65 0.23 0.00 0.00 176.35 176.67 1llu n PRO 29 N 3.31 2.19 -0.76 1.29 -0.02 -1.26 -4.98 135.00 134.77 1llu n PRO 29 Ca -0.18 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 1llu n PRO 29 Cb 0.53 -2.89 0.09 0.00 -0.02 0.00 0.00 33.50 31.21 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 5.06 -1.35 0.00 -1.23 0.00 -1.26 -4.37 105.19 102.03 1llu n GLY 30 Ca 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1llu n GLY 30 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1llu n PRO 31 N -2.19 0.00 -1.26 1.61 -0.02 -1.26 -2.01 135.00 129.87 1llu n PRO 31 Ca 0.07 0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 61.72 1llu n PRO 31 Cb 0.24 -0.74 0.01 0.00 -0.02 0.00 0.00 33.50 32.99 1llu n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1llu n GLY 32 N -0.88 4.63 3.39 -1.23 0.00 -1.24 -1.46 105.19 108.39 1llu n GLY 32 Ca 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.34 1.52 0.05 1.61 -0.21 -0.85 -4.35 119.66 115.09 1llu s GLN 33 Ca 0.48 -1.83 -0.00 0.00 0.02 0.00 0.00 55.36 54.03 1llu s GLN 33 Cb 0.35 -0.61 -0.04 0.00 1.00 0.00 0.00 33.01 33.71 1llu s GLN 33 CO -0.11 -0.22 -0.04 0.14 -2.12 0.00 0.00 175.29 172.95 1llu s VAL 34 N -3.48 0.26 -0.16 1.09 -7.23 -0.66 0.34 120.40 110.56 1llu s VAL 34 Ca 0.36 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 1llu s VAL 34 Cb 0.08 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 1llu s VAL 34 CO 0.14 -0.87 -0.07 -0.22 -0.31 0.00 0.00 175.10 173.77 1llu s LEU 35 N -2.60 2.97 -0.12 1.32 2.96 0.22 -1.12 118.68 122.30 1llu s LEU 35 Ca 0.02 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1llu s LEU 35 Cb 0.03 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1llu s LEU 35 CO -0.07 0.13 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.34 1llu s VAL 36 N 0.59 3.81 -0.44 1.68 1.01 0.27 0.88 120.40 128.20 1llu s VAL 36 Ca -0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 1llu s VAL 36 Cb -0.15 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1llu s VAL 36 CO 0.03 0.54 0.59 -0.75 0.00 0.00 0.00 175.10 175.50 1llu s LYS 37 N -0.10 3.21 0.13 2.72 2.20 0.11 -1.11 119.74 126.90 1llu s LYS 37 Ca 0.02 -0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 54.78 1llu s LYS 37 Cb -0.13 -3.97 -0.10 0.00 -1.51 0.00 0.00 37.83 32.12 1llu s LYS 37 CO 0.03 -1.00 1.68 0.42 -0.36 0.00 0.00 175.35 176.12 1llu s ILE 38 N 2.63 2.62 -0.11 5.43 -1.09 0.29 -2.09 121.20 128.88 1llu s ILE 38 Ca 0.19 0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1llu s ILE 38 Cb -0.15 -3.19 -0.11 0.00 -1.58 0.00 0.00 42.46 37.43 1llu s ILE 38 CO 0.17 0.01 -0.02 1.21 -1.23 0.00 0.00 174.94 175.07 1llu n GLU 39 N 4.84 1.56 -3.85 2.79 4.07 0.16 -4.63 120.64 125.58 1llu n GLU 39 Ca 0.16 0.03 -0.12 0.00 -0.06 0.00 0.00 57.16 57.17 1llu n GLU 39 Cb 0.38 -1.26 -0.10 0.00 -0.06 0.00 0.00 31.44 30.40 1llu n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1llu s ALA 40 N -2.25 -0.41 -0.15 4.31 0.00 -0.77 -2.43 121.76 120.05 1llu s ALA 40 Ca -0.10 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1llu s ALA 40 Cb 0.04 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.27 1llu s ALA 40 CO 0.37 -0.20 0.26 0.45 0.00 0.00 0.00 175.76 176.65 1llu s SER 41 N -1.13 0.55 0.32 0.00 0.15 0.89 -0.15 113.70 114.32 1llu s SER 41 Ca -0.12 0.41 -0.26 0.00 0.70 0.00 0.00 55.95 56.67 1llu s SER 41 Cb -0.06 0.67 -0.10 0.00 -1.71 0.00 0.00 66.02 64.82 1llu s SER 41 CO 0.02 -0.26 0.95 -0.83 1.20 0.00 0.00 173.24 174.32 1llu s GLY 42 N 2.41 2.83 -0.38 9.45 0.00 -0.79 0.14 107.32 120.99 1llu s GLY 42 Ca 0.03 0.54 -0.16 0.00 0.00 0.00 0.00 44.72 45.13 1llu s GLY 42 CO -0.10 1.00 0.41 0.14 0.00 0.00 0.00 173.10 174.55 1llu s VAL 43 N -1.57 5.12 0.01 1.40 1.01 -0.66 -4.38 120.40 121.33 1llu s VAL 43 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1llu s VAL 43 Cb -0.20 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1llu s VAL 43 CO 0.25 -0.25 0.09 0.00 0.00 0.00 0.00 175.10 175.19 1llu h HIS 45 N 3.90 0.00 -0.05 0.00 2.76 -2.01 0.17 115.15 119.92 1llu h HIS 45 Ca -0.48 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.68 1llu h HIS 45 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 1llu h HIS 45 CO 0.63 0.02 0.01 1.15 -1.30 0.00 0.00 177.93 178.44 1llu h THR 46 N 0.00 1.03 -0.18 6.26 2.02 -1.99 -0.21 112.91 119.84 1llu h THR 46 Ca -0.00 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1llu h THR 46 Cb 0.10 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1llu h THR 46 CO 0.00 0.03 -0.10 0.44 0.37 0.00 0.00 175.52 176.26 1llu h ASP 47 N 0.07 0.27 -0.06 4.18 3.32 -1.04 -0.58 116.42 122.58 1llu h ASP 47 Ca 0.02 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1llu h ASP 47 Cb 0.03 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1llu h ASP 47 CO -0.00 0.41 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.79 1llu h LEU 48 N 0.27 0.15 -1.52 1.55 3.38 -1.14 -0.93 115.31 117.08 1llu h LEU 48 Ca 0.06 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1llu h LEU 48 Cb 0.36 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1llu h LEU 48 CO 0.02 0.62 0.38 0.45 0.09 0.00 0.00 178.44 180.00 1llu h HIS 49 N -0.32 0.60 -0.07 1.13 3.86 -1.09 0.71 115.15 119.97 1llu h HIS 49 Ca 0.01 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 1llu h HIS 49 Cb 0.58 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.86 1llu h HIS 49 CO 0.10 0.34 -0.39 0.00 0.86 0.00 0.00 177.93 178.84 1llu h ALA 50 N 1.68 0.14 0.00 2.45 0.00 -1.04 -0.46 119.26 122.03 1llu h ALA 50 Ca 0.24 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1llu h ALA 50 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1llu h ALA 50 CO -0.07 0.25 -0.29 0.00 0.00 0.00 0.00 179.25 179.14 1llu h ALA 51 N 0.43 1.17 0.00 0.00 0.00 -0.74 -2.72 119.26 117.40 1llu h ALA 51 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1llu h ALA 51 Cb 1.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1llu h ALA 51 CO 0.08 0.37 -0.86 -1.91 0.00 0.00 0.00 179.25 176.92 1llu n GLU 52 N -3.69 0.31 -2.86 0.00 4.07 0.20 -1.77 120.64 116.91 1llu n GLU 52 Ca -0.01 0.04 -0.15 0.00 -0.06 0.00 0.00 57.16 56.98 1llu n GLU 52 Cb 0.40 -1.64 0.03 0.00 -0.06 0.00 0.00 31.44 30.17 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 1.34 -0.08 0.18 8.31 0.00 -0.39 -4.46 105.19 110.09 1llu n GLY 53 Ca 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.11 0.05 -3.83 1.61 3.32 -1.44 -3.47 116.42 111.56 1llu h ASP 54 Ca -0.35 -0.02 -0.50 0.00 0.02 0.00 0.00 57.03 56.18 1llu h ASP 54 Cb 1.24 -0.01 0.05 0.00 0.22 0.00 0.00 39.33 40.82 1llu h ASP 54 CO 0.37 0.46 0.21 0.26 -1.72 0.00 0.00 179.24 178.82 1llu s TRP 55 N -4.11 3.54 0.21 4.55 0.51 -1.26 -4.78 118.94 117.60 1llu s TRP 55 Ca -0.03 0.93 -0.09 0.00 -2.12 0.00 0.00 56.10 54.80 1llu s TRP 55 Cb 0.14 -2.49 0.27 0.00 -0.81 0.00 0.00 33.47 30.58 1llu s TRP 55 CO 0.74 -0.48 1.80 -1.35 -0.51 0.00 0.00 176.95 177.15 1llu h PRO 56 N 0.00 0.64 -4.64 4.98 0.11 -2.00 -3.34 132.00 127.75 1llu h PRO 56 Ca -0.46 -0.04 -0.70 0.00 0.11 0.00 0.00 66.00 64.91 1llu h PRO 56 Cb 1.21 -0.14 -0.24 0.00 0.11 0.00 0.00 31.00 31.93 1llu h PRO 56 CO 0.62 0.42 -0.53 0.08 -0.21 0.00 0.00 178.00 178.38 1llu s VAL 57 N -6.09 4.50 0.28 3.15 1.01 -1.26 -5.08 120.40 116.92 1llu s VAL 57 Ca -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1llu s VAL 57 Cb 0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1llu s VAL 57 CO 0.76 -0.17 0.51 -0.54 0.00 0.00 0.00 175.10 175.67 1llu s LYS 58 N 1.55 3.56 -0.16 2.72 1.02 -1.26 -5.04 119.74 122.14 1llu s LYS 58 Ca 0.02 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.54 1llu s LYS 58 Cb -0.19 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1llu s LYS 58 CO 0.06 0.24 1.18 -1.25 -0.92 0.00 0.00 175.35 174.66 1llu s PRO 59 N -3.72 4.27 0.27 -1.68 0.04 -1.26 -4.98 135.00 127.95 1llu s PRO 59 Ca 0.41 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1llu s PRO 59 Cb -0.10 -3.68 -0.13 0.00 0.04 0.00 0.00 34.50 30.62 1llu s PRO 59 CO 0.32 -0.62 1.36 -2.30 0.04 0.00 0.00 177.00 175.80 1llu n PRO 60 N 6.18 2.05 -3.78 0.56 -0.02 -1.26 -4.96 135.00 133.77 1llu n PRO 60 Ca 0.13 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 1llu n PRO 60 Cb 0.46 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.23 4.38 0.67 2.45 1.43 -1.26 -4.12 118.68 122.00 1llu s LEU 61 Ca 0.64 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 1llu s LEU 61 Cb -0.62 -2.55 0.06 0.00 0.03 0.00 0.00 46.19 43.11 1llu s LEU 61 CO 0.54 0.29 0.95 -2.16 0.23 0.00 0.00 176.35 176.19 1llu s PRO 62 N -1.60 2.23 0.16 1.29 0.04 -1.26 -5.10 135.00 130.76 1llu s PRO 62 Ca 0.25 -0.47 -0.23 0.00 0.04 0.00 0.00 61.00 60.59 1llu s PRO 62 Cb -0.13 -2.27 0.07 0.00 0.04 0.00 0.00 34.50 32.21 1llu s PRO 62 CO 0.14 -1.12 0.63 -0.59 0.04 0.00 0.00 177.00 176.10 1llu s PHE 63 N -3.11 -0.50 -0.28 0.56 -0.12 -0.93 -4.96 117.98 108.64 1llu s PHE 63 Ca 0.60 0.28 -0.08 0.00 -0.05 0.00 0.00 56.93 57.68 1llu s PHE 63 Cb -0.10 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1llu s PHE 63 CO 0.43 -0.85 0.09 0.42 -0.05 0.00 0.00 175.22 175.26 1llu s ILE 64 N -3.71 4.26 1.04 -4.49 1.01 -1.26 -0.98 121.20 117.07 1llu s ILE 64 Ca 0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 1llu s ILE 64 Cb -0.01 -3.11 0.25 0.00 0.01 0.00 0.00 42.46 39.59 1llu s ILE 64 CO -0.11 0.18 1.27 -0.81 0.00 0.00 0.00 174.94 175.47 1llu n PRO 65 N 4.92 -1.77 0.00 2.79 -0.04 -1.26 0.17 135.00 139.81 1llu n PRO 65 Ca -0.15 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1llu n PRO 65 Cb 0.50 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1llu n PRO 65 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1llu n GLY 66 N -3.97 1.74 0.70 0.55 0.00 -1.26 -0.76 105.19 102.19 1llu n GLY 66 Ca 0.16 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.43 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 0.61 0.00 -2.14 1.61 1.44 -1.26 0.22 115.22 115.70 1llu n HIS 67 Ca 0.00 -1.23 0.05 0.00 -2.01 0.00 0.00 57.72 54.53 1llu n HIS 67 Cb 0.00 -0.22 0.09 0.00 0.12 0.00 0.00 29.99 29.99 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 -0.84 0.62 -2.56 -1.40 1.02 -1.25 -3.58 120.64 112.65 1llu n GLU 68 Ca 0.16 -2.49 -0.42 0.00 -0.02 0.00 0.00 57.16 54.39 1llu n GLU 68 Cb 0.77 -0.64 -0.03 0.00 -0.02 0.00 0.00 31.44 31.51 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 -2.47 2.68 0.00 0.62 0.00 -1.25 -1.88 107.32 105.02 1llu s GLY 69 Ca 0.35 0.71 0.03 0.00 0.00 0.00 0.00 44.72 45.81 1llu s GLY 69 CO -0.13 1.84 -0.10 0.54 0.00 0.00 0.00 173.10 175.25 1llu s VAL 70 N 0.89 0.81 -0.19 1.40 0.11 0.78 -0.93 120.40 123.28 1llu s VAL 70 Ca 0.55 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1llu s VAL 70 Cb -0.26 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1llu s VAL 70 CO 0.29 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1llu n GLY 71 N 2.66 -0.66 3.77 6.54 0.00 -0.33 0.37 105.19 117.54 1llu n GLY 71 Ca -0.14 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.43 3.28 -0.08 1.61 1.51 -0.89 -0.44 117.35 118.91 1llu s TYR 72 Ca 0.00 0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.99 1llu s TYR 72 Cb 0.00 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1llu s TYR 72 CO 0.00 0.55 1.47 0.08 -1.11 0.00 0.00 175.55 176.54 1llu s VAL 73 N -1.13 3.85 -0.12 0.71 1.01 -0.23 0.07 120.40 124.56 1llu s VAL 73 Ca 0.21 1.07 0.20 0.00 0.00 0.00 0.00 61.98 63.45 1llu s VAL 73 Cb -0.12 -3.69 -0.27 0.00 0.00 0.00 0.00 36.38 32.30 1llu s VAL 73 CO 0.11 -0.08 0.34 0.00 0.00 0.00 0.00 175.10 175.48 1llu n ALA 74 N 6.65 2.14 -3.59 5.51 0.00 0.25 -0.39 120.51 131.08 1llu n ALA 74 Ca 0.15 -0.88 -0.15 0.00 0.00 0.00 0.00 53.44 52.56 1llu n ALA 74 Cb 0.44 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.29 1llu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1llu s ALA 75 N -3.00 -1.77 -0.07 0.00 0.00 -1.13 -4.94 121.76 110.84 1llu s ALA 75 Ca -0.08 1.79 0.05 0.00 0.00 0.00 0.00 51.96 53.72 1llu s ALA 75 Cb 0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1llu s ALA 75 CO 0.86 -0.35 -0.22 0.08 0.00 0.00 0.00 175.76 176.13 1llu s VAL 76 N -0.14 2.29 0.80 0.00 1.01 -1.26 -0.61 120.40 122.48 1llu s VAL 76 Ca -0.04 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 1llu s VAL 76 Cb -0.03 -1.86 0.08 0.00 0.00 0.00 0.00 36.38 34.56 1llu s VAL 76 CO 0.04 0.56 1.16 -0.83 0.00 0.00 0.00 175.10 176.04 1llu s GLY 77 N -0.05 1.60 0.25 4.51 0.00 0.15 -4.96 107.32 108.82 1llu s GLY 77 Ca -0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 1llu s GLY 77 CO 0.05 -0.20 1.25 -1.35 0.00 0.00 0.00 173.10 172.85 1llu s SER 78 N -4.57 6.96 0.00 1.64 1.04 -0.54 -3.21 113.70 115.02 1llu s SER 78 Ca 0.62 2.43 0.00 0.00 0.48 0.00 0.00 55.95 59.48 1llu s SER 78 Cb -0.11 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1llu s SER 78 CO 0.49 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1llu n GLY 79 N 1.66 0.76 3.71 7.32 0.00 -1.26 -3.70 105.19 113.69 1llu n GLY 79 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1llu n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1llu s VAL 80 N -2.84 4.91 0.00 1.61 1.01 -1.20 -4.92 120.40 118.97 1llu s VAL 80 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1llu s VAL 80 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1llu s VAL 80 CO 0.00 0.20 0.00 1.07 0.00 0.00 0.00 175.10 176.37 1llu n THR 81 N 3.79 0.00 -0.03 3.92 5.66 -1.26 -4.84 114.28 121.52 1llu n THR 81 Ca 0.03 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.05 1llu n THR 81 Cb 0.51 -0.68 0.37 0.00 -1.55 0.00 0.00 70.33 68.98 1llu n THR 81 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1llu h ARG 82 N 0.00 0.59 -4.85 1.09 2.43 -1.91 -3.45 114.38 108.29 1llu h ARG 82 Ca 0.00 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 58.78 1llu h ARG 82 Cb 0.69 -0.12 -0.15 0.00 -0.42 0.00 0.00 29.97 29.97 1llu h ARG 82 CO 0.00 0.45 -0.62 0.14 -1.51 0.00 0.00 179.97 178.43 1llu s VAL 83 N -5.38 0.52 0.09 0.20 -7.23 -1.26 -5.10 120.40 102.25 1llu s VAL 83 Ca -0.08 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.07 1llu s VAL 83 Cb 0.17 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1llu s VAL 83 CO 0.75 -0.07 0.04 -1.59 -0.31 0.00 0.00 175.10 173.92 1llu s LYS 84 N -4.03 0.79 0.22 4.82 -2.85 -1.26 -5.00 119.74 112.43 1llu s LYS 84 Ca 0.36 -1.29 -0.30 0.00 -1.00 0.00 0.00 55.97 53.74 1llu s LYS 84 Cb 0.08 0.24 -0.15 0.00 -2.06 0.00 0.00 37.83 35.93 1llu s LYS 84 CO 0.12 -0.20 1.00 -1.91 0.10 0.00 0.00 175.35 174.45 1llu n GLU 85 N -0.01 1.01 0.00 1.78 2.13 -1.26 -1.73 120.64 122.56 1llu n GLU 85 Ca -0.10 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1llu n GLU 85 Cb 0.62 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1llu n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1llu n GLY 86 N 1.68 2.06 3.77 8.31 0.00 0.47 -4.93 105.19 116.55 1llu n GLY 86 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1llu n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1llu s ASP 87 N -2.15 6.67 -0.30 1.61 1.01 -0.71 -4.61 116.67 118.20 1llu s ASP 87 Ca 0.00 2.68 -0.24 0.00 0.71 0.00 0.00 52.55 55.70 1llu s ASP 87 Cb 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.28 1llu s ASP 87 CO 0.00 -0.61 0.81 -0.13 0.21 0.00 0.00 175.17 175.45 1llu s ARG 88 N -1.90 3.99 0.05 8.23 0.52 -1.26 -1.07 118.95 127.51 1llu s ARG 88 Ca 0.51 0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 56.34 1llu s ARG 88 Cb -0.39 -3.72 -0.03 0.00 0.52 0.00 0.00 34.95 31.33 1llu s ARG 88 CO 0.52 -0.67 0.04 0.54 0.02 0.00 0.00 175.30 175.74 1llu s VAL 89 N 2.99 0.18 0.07 3.52 0.11 0.42 -2.63 120.40 125.06 1llu s VAL 89 Ca 0.33 -1.49 0.07 0.00 -2.93 0.00 0.00 61.98 57.97 1llu s VAL 89 Cb -0.14 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 1llu s VAL 89 CO 0.12 -0.82 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.05 1llu s GLY 90 N -2.67 1.10 -0.38 6.54 0.00 0.10 -1.18 107.32 110.82 1llu s GLY 90 Ca 0.03 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 1llu s GLY 90 CO -0.09 -1.08 0.17 -0.42 0.00 0.00 0.00 173.10 171.69 1llu s ILE 91 N -1.02 3.74 0.37 0.90 1.09 -0.10 0.06 121.20 126.24 1llu s ILE 91 Ca 0.05 -1.47 -0.04 0.00 -1.10 0.00 0.00 60.65 58.09 1llu s ILE 91 Cb -0.09 -3.29 0.08 0.00 -1.06 0.00 0.00 42.46 38.10 1llu s ILE 91 CO 0.03 -0.41 0.51 -0.81 -0.10 0.00 0.00 174.94 174.16 1llu n PRO 92 N 4.78 -0.12 -0.17 2.79 -0.04 -1.26 -3.76 135.00 137.22 1llu n PRO 92 Ca -0.09 -1.04 -0.04 0.00 -0.04 0.00 0.00 63.50 62.28 1llu n PRO 92 Cb 0.43 -0.44 0.06 0.00 -0.04 0.00 0.00 33.50 33.51 1llu n PRO 92 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1llu h TRP 93 N -0.90 0.49 -1.37 0.54 2.91 -1.77 -3.33 115.95 112.52 1llu h TRP 93 Ca -0.17 0.02 -0.59 0.00 1.13 0.00 0.00 58.89 59.29 1llu h TRP 93 Cb 0.52 -0.14 -0.10 0.00 -0.51 0.00 0.00 29.16 28.93 1llu h TRP 93 CO 0.00 0.24 1.41 -1.17 -1.03 0.00 0.00 178.44 177.89 1llu s LEU 94 N -10.27 3.43 0.09 0.65 2.96 -1.26 -2.07 118.68 112.22 1llu s LEU 94 Ca -0.13 -1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 52.36 1llu s LEU 94 Cb 0.14 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 1llu s LEU 94 CO 0.74 -1.58 1.48 0.22 -1.32 0.00 0.00 176.35 175.89 1llu h TYR 95 N 9.85 0.62 -3.01 5.38 3.20 -1.48 -3.46 116.97 128.08 1llu h TYR 95 Ca 0.10 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.89 1llu h TYR 95 Cb 1.02 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1llu h TYR 95 CO 1.25 0.76 0.23 -0.08 -1.64 0.00 0.00 178.16 178.69 1llu s THR 96 N -4.73 0.00 0.15 1.81 -1.32 -1.24 -4.37 115.64 105.94 1llu s THR 96 Ca -0.13 -1.00 -0.20 0.00 -1.21 0.00 0.00 61.69 59.14 1llu s THR 96 Cb 0.08 -2.15 0.06 0.00 -1.51 0.00 0.00 72.50 68.97 1llu s THR 96 CO 0.78 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 173.71 1llu s ALA 97 N -3.64 -1.33 0.35 11.08 0.00 -1.26 -3.15 121.76 123.81 1llu s ALA 97 Ca 0.12 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.46 1llu s ALA 97 Cb -0.06 0.81 0.64 0.00 0.00 0.00 0.00 23.12 24.51 1llu s ALA 97 CO 0.08 -0.72 1.78 0.00 0.00 0.00 0.00 175.76 176.90 1llu n GLY 99 N -0.35 1.14 0.56 0.00 0.00 -1.26 -4.86 105.19 100.42 1llu n GLY 99 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.39 -0.05 -0.11 0.00 5.08 -1.99 -0.61 114.58 117.30 1llu h GLU 102 Ca -0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1llu h GLU 102 Cb 1.28 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1llu h GLU 102 CO 0.43 -0.03 -0.03 0.45 -1.00 0.00 0.00 179.01 178.83 1llu h HIS 103 N -0.05 0.24 -0.79 4.33 3.86 -1.93 -2.75 115.15 118.05 1llu h HIS 103 Ca 0.32 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1llu h HIS 103 Cb 0.59 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 1llu h HIS 103 CO -0.77 0.52 0.44 0.00 0.86 0.00 0.00 177.93 178.98 1llu n LEU 105 N -4.36 0.72 -1.05 0.00 4.77 -0.28 -3.56 117.00 113.25 1llu n LEU 105 Ca 0.08 0.58 0.06 0.00 -0.03 0.00 0.00 56.01 56.71 1llu n LEU 105 Cb 0.09 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 41.07 1llu n LEU 105 CO 0.38 -0.23 0.74 0.35 -1.33 0.00 0.00 177.39 177.30 1llu n THR 106 N -2.19 2.39 -1.01 -5.08 -2.24 -1.01 -4.95 114.28 100.19 1llu n THR 106 Ca 0.05 -1.94 -0.00 0.00 -2.27 0.00 0.00 64.05 59.89 1llu n THR 106 Cb 0.39 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.50 0.43 2.39 3.38 0.00 -1.18 -4.96 105.19 104.75 1llu n GLY 107 Ca 0.24 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.98 2.53 0.25 1.61 7.02 0.68 -4.85 117.44 121.71 1llu n TRP 108 Ca -0.00 -2.60 0.15 0.00 -1.02 0.00 0.00 57.50 54.03 1llu n TRP 108 Cb 0.01 -0.24 0.82 0.00 -2.42 0.00 0.00 31.31 29.49 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 2.50 0.00 0.00 -0.99 9.09 -1.78 -0.10 114.58 123.29 1llu h GLU 109 Ca 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.61 1llu h GLU 109 Cb 1.23 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1llu h GLU 109 CO 0.67 0.00 -0.00 1.15 0.05 0.00 0.00 179.01 180.88 1llu h THR 110 N 0.00 0.85 -0.51 -1.06 2.02 -1.88 -1.58 112.91 110.75 1llu h THR 110 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1llu h THR 110 Cb 0.18 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1llu h THR 110 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1llu n LEU 111 N -4.31 3.46 -4.71 2.58 4.77 -0.05 -4.98 117.00 113.75 1llu n LEU 111 Ca -0.03 -1.60 -0.42 0.00 -0.03 0.00 0.00 56.01 53.93 1llu n LEU 111 Cb 0.09 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1llu n LEU 111 CO 0.32 0.80 1.39 0.00 -1.33 0.00 0.00 177.39 178.56 1llu n GLU 113 N 4.30 0.20 -0.72 0.00 1.02 -1.26 -3.18 120.64 120.99 1llu n GLU 113 Ca 0.16 0.24 0.08 0.00 -0.02 0.00 0.00 57.16 57.62 1llu n GLU 113 Cb 0.36 -1.77 0.36 0.00 -0.02 0.00 0.00 31.44 30.38 1llu n GLU 113 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1llu n SER 114 N -2.12 5.10 -4.88 1.62 7.64 -1.26 -4.99 113.62 114.73 1llu n SER 114 Ca 0.05 -2.76 -0.30 0.00 1.01 0.00 0.00 58.87 56.87 1llu n SER 114 Cb 0.35 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.42 2.70 0.16 1.43 -2.07 -1.19 -4.42 119.66 113.84 1llu s GLN 115 Ca 0.51 0.43 0.09 0.00 -1.82 0.00 0.00 55.36 54.57 1llu s GLN 115 Cb 0.37 -2.01 -0.04 0.00 -1.09 0.00 0.00 33.01 30.24 1llu s GLN 115 CO 0.18 -1.15 -0.19 -0.65 -1.32 0.00 0.00 175.29 172.17 1llu s GLN 116 N -5.37 1.27 -0.15 9.60 -1.52 -1.19 -4.98 119.66 117.32 1llu s GLN 116 Ca 0.59 -1.39 0.01 0.00 -1.95 0.00 0.00 55.36 52.62 1llu s GLN 116 Cb -0.11 -1.35 0.02 0.00 -0.22 0.00 0.00 33.01 31.34 1llu s GLN 116 CO 0.52 0.28 -0.18 -0.80 -0.25 0.00 0.00 175.29 174.85 1llu s ASN 117 N -2.61 2.90 0.19 5.90 -0.87 -1.26 -1.85 114.94 117.34 1llu s ASN 117 Ca 0.15 -0.56 -0.32 0.00 -1.57 0.00 0.00 52.86 50.56 1llu s ASN 117 Cb -0.06 -1.33 -0.11 0.00 -0.02 0.00 0.00 41.25 39.72 1llu s ASN 117 CO 0.07 0.00 1.70 -0.89 -2.57 0.00 0.00 177.10 175.41 1llu s THR 118 N 1.21 2.19 -0.70 1.60 2.01 -0.88 -1.33 115.64 119.74 1llu s THR 118 Ca 0.01 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1llu s THR 118 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1llu s THR 118 CO -0.09 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1llu n GLY 119 N 3.95 0.33 2.09 4.40 0.00 0.72 -4.28 105.19 112.41 1llu n GLY 119 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.63 -3.04 0.73 1.61 9.36 -0.89 -4.24 117.16 117.06 1llu n TYR 120 Ca -0.09 0.78 0.08 0.00 3.32 0.00 0.00 57.90 61.99 1llu n TYR 120 Cb 0.47 1.87 -0.06 0.00 -0.63 0.00 0.00 39.34 40.99 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 -3.21 1.05 -3.90 2.98 3.41 -0.45 -4.03 113.62 109.47 1llu n SER 121 Ca 0.00 -1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 57.48 1llu n SER 121 Cb 0.00 0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.28 0.10 0.49 -3.33 1.01 -1.06 -4.87 120.40 110.45 1llu s VAL 122 Ca 0.09 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1llu s VAL 122 Cb 0.12 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1llu s VAL 122 CO 0.56 -0.43 1.24 0.20 0.00 0.00 0.00 175.10 176.67 1llu s ASN 123 N -1.48 5.82 0.00 3.32 0.01 -1.26 -0.20 114.94 121.14 1llu s ASN 123 Ca -0.14 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 1llu s ASN 123 Cb -0.08 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1llu s ASN 123 CO 0.00 -1.17 0.00 0.61 -1.51 0.00 0.00 177.10 175.03 1llu n GLY 124 N 0.55 5.30 0.00 0.66 0.00 0.13 -4.02 105.19 107.81 1llu n GLY 124 Ca 0.08 -1.91 0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.93 2.21 -0.02 0.00 0.13 -4.29 105.19 107.30 1llu n GLY 125 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.83 1.32 -3.83 1.61 0.53 0.06 -4.77 117.16 111.26 1llu n TYR 126 Ca 0.15 -2.28 -0.06 0.00 -1.02 0.00 0.00 57.90 54.68 1llu n TYR 126 Cb 0.07 -1.95 -0.00 0.00 -1.03 0.00 0.00 39.34 36.43 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 1.00 -1.21 -0.04 -0.72 0.00 -1.26 -0.51 121.76 119.03 1llu s ALA 127 Ca 0.66 -0.36 0.12 0.00 0.00 0.00 0.00 51.96 52.38 1llu s ALA 127 Cb 0.26 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 24.08 1llu s ALA 127 CO -0.05 -1.03 1.38 0.93 0.00 0.00 0.00 175.76 176.99 1llu h GLU 128 N 2.00 0.00 -4.33 0.00 5.08 -1.80 -3.42 114.58 112.11 1llu h GLU 128 Ca -0.25 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.89 1llu h GLU 128 Cb 1.24 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.29 1llu h GLU 128 CO 0.30 0.71 -0.72 0.71 -1.00 0.00 0.00 179.01 179.01 1llu s TYR 129 N -2.86 0.52 -0.01 4.33 1.51 -1.26 -0.55 117.35 119.03 1llu s TYR 129 Ca 0.03 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1llu s TYR 129 Cb 0.09 -0.33 0.01 0.00 -0.11 0.00 0.00 41.96 41.62 1llu s TYR 129 CO 0.78 -0.14 0.02 0.08 -1.11 0.00 0.00 175.55 175.18 1llu s VAL 130 N -1.65 -0.02 0.41 0.71 1.01 -0.27 -4.91 120.40 115.68 1llu s VAL 130 Ca -0.10 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1llu s VAL 130 Cb -0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 36.38 36.15 1llu s VAL 130 CO -0.01 0.02 0.89 -0.76 0.00 0.00 0.00 175.10 175.24 1llu s LEU 131 N 0.29 3.93 0.14 3.92 1.43 -1.26 -0.56 118.68 126.57 1llu s LEU 131 Ca -0.02 1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 54.45 1llu s LEU 131 Cb -0.03 -4.40 0.04 0.00 0.03 0.00 0.00 46.19 41.83 1llu s LEU 131 CO -0.01 -0.35 0.45 0.00 0.23 0.00 0.00 176.35 176.68 1llu s ALA 132 N -2.18 -1.07 -0.34 4.21 0.00 -0.28 -4.92 121.76 117.18 1llu s ALA 132 Ca 0.59 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 1llu s ALA 132 Cb -0.09 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1llu s ALA 132 CO 0.17 -0.68 0.50 0.34 0.00 0.00 0.00 175.76 176.09 1llu s ASP 133 N -2.80 6.31 0.50 0.00 3.68 -1.26 -1.66 116.67 121.45 1llu s ASP 133 Ca 0.03 0.00 0.26 0.00 2.13 0.00 0.00 52.55 54.97 1llu s ASP 133 Cb 0.01 -2.26 1.35 0.00 -1.45 0.00 0.00 42.92 40.57 1llu s ASP 133 CO -0.12 -0.45 1.91 -0.65 0.13 0.00 0.00 175.17 175.99 1llu h PRO 134 N 8.42 0.11 0.00 4.34 0.11 -1.91 -2.27 132.00 140.80 1llu h PRO 134 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1llu h PRO 134 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1llu h PRO 134 CO 0.76 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.71 1llu n ASN 135 N -4.36 0.54 0.00 -2.05 3.02 -1.26 -3.49 115.26 107.66 1llu n ASN 135 Ca 0.16 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1llu n ASN 135 Cb 0.80 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1llu n ASN 135 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1llu n TYR 136 N -2.08 0.00 -2.43 3.10 4.02 -0.86 -5.04 117.16 113.86 1llu n TYR 136 Ca 0.03 -0.04 -0.35 0.00 -0.01 0.00 0.00 57.90 57.53 1llu n TYR 136 Cb 0.25 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.54 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 -0.09 3.52 -0.00 -0.72 0.11 -1.17 -4.68 120.40 117.37 1llu s VAL 137 Ca 0.00 0.96 -0.23 0.00 -2.93 0.00 0.00 61.98 59.78 1llu s VAL 137 Cb 0.00 -3.39 -0.05 0.00 -1.53 0.00 0.00 36.38 31.41 1llu s VAL 137 CO 0.00 -0.20 0.68 -0.83 -3.33 0.00 0.00 175.10 171.42 1llu s GLY 138 N -1.87 2.67 -0.44 6.54 0.00 0.11 -4.87 107.32 109.46 1llu s GLY 138 Ca 0.69 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 45.34 1llu s GLY 138 CO 0.23 0.97 0.67 -0.42 0.00 0.00 0.00 173.10 174.55 1llu s ILE 139 N 0.09 4.80 0.33 0.90 1.09 -1.26 -0.72 121.20 126.43 1llu s ILE 139 Ca 0.35 0.16 -0.28 0.00 -1.10 0.00 0.00 60.65 59.78 1llu s ILE 139 Cb -0.19 -4.23 -0.09 0.00 -1.06 0.00 0.00 42.46 36.89 1llu s ILE 139 CO 0.19 -0.62 1.16 -0.76 -0.10 0.00 0.00 174.94 174.82 1llu s LEU 140 N 2.90 4.41 0.27 2.97 1.43 -1.08 -5.00 118.68 124.57 1llu s LEU 140 Ca 0.24 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.42 1llu s LEU 140 Cb -0.14 -3.77 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 1llu s LEU 140 CO 0.20 -0.40 1.26 -2.16 0.23 0.00 0.00 176.35 175.48 1llu s PRO 141 N -1.81 4.43 0.51 1.29 0.04 -1.26 -4.91 135.00 133.28 1llu s PRO 141 Ca 0.50 2.07 0.26 0.00 0.04 0.00 0.00 61.00 63.86 1llu s PRO 141 Cb -0.33 -3.14 1.36 0.00 0.04 0.00 0.00 34.50 32.43 1llu s PRO 141 CO 0.43 -0.12 2.04 0.87 0.04 0.00 0.00 177.00 180.26 1llu h LYS 142 N 4.21 0.00 -0.01 4.56 1.57 -1.97 -3.09 116.57 121.83 1llu h LYS 142 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1llu h LYS 142 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1llu h LYS 142 CO 0.70 0.14 -0.02 0.27 -0.57 0.00 0.00 179.45 179.96 1llu n ASN 143 N -3.68 1.19 -4.44 0.86 6.94 -1.26 -4.84 115.26 110.03 1llu n ASN 143 Ca -0.02 -1.34 -0.33 0.00 -0.02 0.00 0.00 54.58 52.88 1llu n ASN 143 Cb 0.26 0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 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 -2.06 3.25 0.47 3.53 1.01 -1.17 -5.09 120.40 120.33 1llu s VAL 144 Ca 0.38 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1llu s VAL 144 Cb 0.21 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 1llu s VAL 144 CO 0.36 0.54 1.08 -1.61 0.00 0.00 0.00 175.10 175.47 1llu s GLU 145 N -0.03 3.81 0.16 2.72 2.02 -1.26 -4.80 118.70 121.32 1llu s GLU 145 Ca -0.02 1.51 -0.30 0.00 0.02 0.00 0.00 54.97 56.18 1llu s GLU 145 Cb -0.14 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 1llu s GLU 145 CO 0.04 -0.45 1.54 0.74 0.02 0.00 0.00 175.26 177.15 1llu h PHE 146 N 1.82 -1.79 -0.66 1.61 0.05 -1.97 0.54 116.94 116.54 1llu h PHE 146 Ca -0.49 0.12 0.07 0.00 3.82 0.00 0.00 57.97 61.49 1llu h PHE 146 Cb 1.23 0.91 -0.04 0.00 2.00 0.00 0.00 35.95 40.05 1llu h PHE 146 CO 0.55 -0.39 0.43 0.00 -0.18 0.00 0.00 178.31 178.73 1llu h ALA 147 N 0.55 1.80 -0.06 2.45 0.00 -1.93 -0.54 119.26 121.52 1llu h ALA 147 Ca 0.17 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 1llu h ALA 147 Cb 0.45 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1llu h ALA 147 CO -0.91 0.09 -0.91 1.49 0.00 0.00 0.00 179.25 179.00 1llu h GLU 148 N 0.63 0.68 0.00 0.00 4.81 -1.33 -3.29 114.58 116.08 1llu h GLU 148 Ca 0.29 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1llu h GLU 148 Cb 0.32 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1llu h GLU 148 CO -0.09 1.25 -0.32 0.44 -0.73 0.00 0.00 179.01 179.55 1llu n ILE 149 N -3.87 0.25 -0.11 2.32 -5.35 -0.39 -4.34 119.36 107.87 1llu n ILE 149 Ca -0.09 -0.15 -0.08 0.00 -0.27 0.00 0.00 62.75 62.16 1llu n ILE 149 Cb 0.82 -0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.47 1llu n ILE 149 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1llu h ALA 150 N 2.74 -0.26 -0.23 -1.28 0.00 -1.17 -1.46 119.26 117.61 1llu h ALA 150 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1llu h ALA 150 Cb 0.63 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1llu h ALA 150 CO 0.00 -0.77 0.26 -1.35 0.00 0.00 0.00 179.25 177.40 1llu h PRO 151 N -0.28 0.00 0.00 0.00 0.11 -1.80 -0.20 132.00 129.83 1llu h PRO 151 Ca 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1llu h PRO 151 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1llu h PRO 151 CO -0.54 0.00 -0.19 0.82 -0.21 0.00 0.00 178.00 177.88 1llu h ILE 152 N 0.00 0.56 0.00 4.15 5.03 -1.53 0.99 117.51 126.72 1llu h ILE 152 Ca 0.11 -0.91 0.00 0.00 -0.12 0.00 0.00 64.86 63.93 1llu h ILE 152 Cb 0.64 1.61 0.00 0.00 -3.03 0.00 0.00 36.82 36.04 1llu h ILE 152 CO -0.00 0.19 0.00 -0.07 -0.68 0.00 0.00 178.15 177.59 1llu h LEU 153 N 0.00 0.00 0.00 1.44 -0.00 -1.07 -2.44 115.31 113.24 1llu h LEU 153 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1llu h LEU 153 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1llu h LEU 153 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 1llu h ALA 155 N 0.00 0.61 0.47 0.00 0.00 -1.08 -1.22 119.26 118.05 1llu h ALA 155 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1llu h ALA 155 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1llu h ALA 155 CO 0.00 -0.21 -0.22 0.78 0.00 0.00 0.00 179.25 179.60 1llu h GLY 156 N 0.36 -0.65 0.72 0.00 0.00 -1.29 -2.44 103.07 99.76 1llu h GLY 156 Ca 0.24 0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.85 1llu h GLY 156 CO -0.24 -0.24 0.08 -2.08 0.00 0.00 0.00 176.54 174.07 1llu h VAL 157 N -0.89 0.90 0.42 4.60 2.07 -1.40 -0.42 116.25 121.53 1llu h VAL 157 Ca -0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1llu h VAL 157 Cb 0.58 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1llu h VAL 157 CO 0.11 0.04 -0.47 0.74 0.02 0.00 0.00 177.57 178.00 1llu h THR 158 N 0.20 0.08 -1.00 2.57 2.02 -1.30 0.62 112.91 116.10 1llu h THR 158 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1llu h THR 158 Cb 0.12 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.56 1llu h THR 158 CO -0.15 0.00 0.66 0.58 0.37 0.00 0.00 175.52 176.98 1llu h VAL 159 N -0.91 1.23 -0.10 3.16 2.07 -1.40 0.64 116.25 120.94 1llu h VAL 159 Ca -0.04 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1llu h VAL 159 Cb 0.81 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1llu h VAL 159 CO -0.09 0.24 0.03 0.22 0.02 0.00 0.00 177.57 177.99 1llu h TYR 160 N 1.33 0.17 -0.26 1.57 3.20 -0.85 -0.10 116.97 122.03 1llu h TYR 160 Ca 0.38 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 1llu h TYR 160 Cb -0.10 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1llu h TYR 160 CO -0.00 0.33 -0.12 -0.22 -1.64 0.00 0.00 178.16 176.51 1llu h LYS 161 N -0.03 0.43 -0.36 1.82 1.63 -0.67 -2.19 116.57 117.19 1llu h LYS 161 Ca 0.03 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1llu h LYS 161 Cb 0.24 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1llu h LYS 161 CO -0.00 0.55 0.01 0.78 -3.45 0.00 0.00 179.45 177.34 1llu h GLY 162 N 0.88 0.68 1.77 5.01 0.00 -0.58 -0.36 103.07 110.46 1llu h GLY 162 Ca 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1llu h GLY 162 CO 0.03 0.45 -0.03 1.41 0.00 0.00 0.00 176.54 178.41 1llu h LEU 163 N 0.45 0.27 -0.53 3.11 3.38 -0.78 -1.84 115.31 119.38 1llu h LEU 163 Ca 0.10 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1llu h LEU 163 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1llu h LEU 163 CO 0.02 0.35 -0.56 0.11 0.09 0.00 0.00 178.44 178.45 1llu h LYS 164 N 0.29 0.52 0.00 1.13 1.57 -0.93 -2.84 116.57 116.32 1llu h LYS 164 Ca 0.07 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1llu h LYS 164 Cb 0.24 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1llu h LYS 164 CO 0.01 0.94 0.00 1.96 -0.57 0.00 0.00 179.45 181.79 1llu h GLN 165 N 0.40 0.00 -0.23 3.15 1.08 -0.30 -2.53 115.11 116.68 1llu h GLN 165 Ca 0.01 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 1llu h GLN 165 Cb 1.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1llu h GLN 165 CO 0.10 0.00 -0.47 1.15 -0.95 0.00 0.00 178.83 178.67 1llu h THR 166 N 0.00 1.30 -0.36 -0.54 2.02 -1.12 -3.47 112.91 110.74 1llu h THR 166 Ca 0.00 -1.67 -0.16 0.00 0.77 0.00 0.00 66.41 65.35 1llu h THR 166 Cb 0.46 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 1llu h THR 166 CO 0.00 0.53 -0.14 0.59 0.37 0.00 0.00 175.52 176.86 1llu n ASN 167 N -4.00 -4.20 -4.72 4.18 3.02 -0.95 -4.44 115.26 104.15 1llu n ASN 167 Ca -0.02 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1llu n ASN 167 Cb 0.56 -2.37 -0.03 0.00 -0.61 0.00 0.00 39.78 37.32 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 -2.19 3.39 0.28 5.41 0.00 -1.26 -5.02 121.76 122.37 1llu s ALA 168 Ca 0.00 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.88 1llu s ALA 168 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1llu s ALA 168 CO 0.00 -0.41 0.37 1.03 0.00 0.00 0.00 175.76 176.75 1llu s ARG 169 N 0.85 3.22 0.24 0.00 0.52 -1.26 -5.00 118.95 117.52 1llu s ARG 169 Ca 0.58 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.58 1llu s ARG 169 Cb -0.30 -2.80 -0.15 0.00 0.52 0.00 0.00 34.95 32.22 1llu s ARG 169 CO 0.30 0.29 0.87 -2.30 0.02 0.00 0.00 175.30 174.48 1llu n PRO 170 N -1.45 0.86 0.00 3.54 -0.02 -1.25 -1.26 135.00 135.41 1llu n PRO 170 Ca -0.06 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1llu n PRO 170 Cb 0.58 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1llu n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1llu n GLY 171 N 1.58 3.27 3.93 -1.23 0.00 0.12 -4.97 105.19 107.88 1llu n GLY 171 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.59 1.80 -0.03 1.61 -0.21 -0.39 -4.74 119.66 117.10 1llu s GLN 172 Ca 0.00 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.06 1llu s GLN 172 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1llu s GLN 172 CO 0.00 -1.55 0.04 -1.58 -2.12 0.00 0.00 175.29 170.08 1llu s TRP 173 N -3.42 3.22 -0.05 0.91 0.52 -1.26 -0.53 118.94 118.33 1llu s TRP 173 Ca 0.64 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.98 1llu s TRP 173 Cb -0.09 -1.75 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1llu s TRP 173 CO 0.47 0.52 -0.10 0.54 0.02 0.00 0.00 176.95 178.40 1llu s VAL 174 N -1.07 0.94 -0.25 4.03 0.11 -0.41 -1.69 120.40 122.04 1llu s VAL 174 Ca 0.19 -0.39 -0.10 0.00 -2.93 0.00 0.00 61.98 58.75 1llu s VAL 174 Cb -0.12 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1llu s VAL 174 CO 0.09 0.30 0.15 0.00 -3.33 0.00 0.00 175.10 172.31 1llu s ALA 175 N 0.52 3.48 -0.29 1.54 0.00 -0.19 -1.53 121.76 125.30 1llu s ALA 175 Ca -0.10 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1llu s ALA 175 Cb -0.13 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1llu s ALA 175 CO 0.02 -0.37 0.07 0.42 0.00 0.00 0.00 175.76 175.90 1llu s ILE 176 N 1.41 3.94 -0.34 0.00 1.01 0.77 -0.76 121.20 127.23 1llu s ILE 176 Ca 0.07 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 1llu s ILE 176 Cb -0.15 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1llu s ILE 176 CO 0.07 0.11 0.29 -0.55 0.00 0.00 0.00 174.94 174.86 1llu s SER 177 N 1.50 6.11 0.00 3.58 0.15 -0.22 -0.67 113.70 124.14 1llu s SER 177 Ca 0.03 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1llu s SER 177 Cb -0.17 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1llu s SER 177 CO 0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1llu n GLY 178 N 5.04 0.29 2.74 9.45 0.00 0.11 -0.24 105.19 122.58 1llu n GLY 178 Ca -0.11 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 0.84 5.20 0.00 -0.61 2.08 -1.26 -3.65 119.36 121.97 1llu n ILE 179 Ca 0.00 -5.86 0.00 0.00 0.56 0.00 0.00 62.75 57.45 1llu n ILE 179 Cb 0.00 -1.56 0.00 0.00 -0.75 0.00 0.00 39.64 37.33 1llu n ILE 179 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1llu n GLY 180 N 0.01 1.04 0.11 7.39 0.00 -1.26 -4.20 105.19 108.28 1llu n GLY 180 Ca 0.41 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.19 0.48 -0.02 0.00 -1.90 -0.99 103.07 100.45 1llu h GLY 181 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1llu h GLY 181 CO 0.00 -0.07 -0.04 1.41 0.00 0.00 0.00 176.54 177.84 1llu h LEU 182 N -0.24 0.07 -0.76 3.11 4.07 -1.88 -3.34 115.31 116.34 1llu h LEU 182 Ca -0.02 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1llu h LEU 182 Cb 0.19 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 1llu h LEU 182 CO 0.03 0.63 0.49 1.23 -1.08 0.00 0.00 178.44 179.74 1llu h GLY 183 N -0.48 1.07 2.00 0.83 0.00 -1.62 -1.14 103.07 103.73 1llu h GLY 183 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1llu h GLY 183 CO 0.01 0.41 -0.29 1.12 0.00 0.00 0.00 176.54 177.79 1llu h HIS 184 N 1.03 0.00 0.00 5.60 2.07 -1.33 -2.29 115.15 120.23 1llu h HIS 184 Ca 0.28 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.62 1llu h HIS 184 Cb -0.10 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.86 1llu h HIS 184 CO -0.02 0.29 -1.06 -0.24 -3.07 0.00 0.00 177.93 173.83 1llu h VAL 185 N 0.00 1.01 -0.23 6.12 3.04 -1.63 -3.27 116.25 121.29 1llu h VAL 185 Ca -0.00 -2.58 -0.09 0.00 -1.01 0.00 0.00 66.70 63.02 1llu h VAL 185 Cb 0.59 2.44 -0.01 0.00 -2.01 0.00 0.00 31.29 32.30 1llu h VAL 185 CO 0.04 0.57 -0.26 0.00 -1.01 0.00 0.00 177.57 176.91 1llu h ALA 186 N 1.26 1.13 -0.93 3.17 0.00 -0.66 -1.94 119.26 121.29 1llu h ALA 186 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1llu h ALA 186 Cb 1.64 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1llu h ALA 186 CO 0.08 0.55 0.61 0.28 0.00 0.00 0.00 179.25 180.77 1llu h VAL 187 N 0.39 1.21 -0.11 0.00 2.07 -1.50 0.94 116.25 119.25 1llu h VAL 187 Ca 0.06 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1llu h VAL 187 Cb 0.66 -0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1llu h VAL 187 CO 0.05 0.22 -0.48 1.56 0.02 0.00 0.00 177.57 178.94 1llu h GLN 188 N 1.23 0.52 -0.64 1.57 4.20 -1.55 -2.19 115.11 118.25 1llu h GLN 188 Ca 0.35 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 1llu h GLN 188 Cb -0.10 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1llu h GLN 188 CO -0.09 1.04 0.06 1.88 -0.67 0.00 0.00 178.83 181.05 1llu h TYR 189 N 0.12 1.16 -0.76 2.96 -1.99 -1.18 -1.85 116.97 115.43 1llu h TYR 189 Ca -0.03 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.52 1llu h TYR 189 Cb 1.12 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 39.50 1llu h TYR 189 CO 0.11 1.00 0.46 0.00 -0.00 0.00 0.00 178.16 179.73 1llu h ALA 190 N 1.05 0.97 -0.32 3.88 0.00 -0.82 -1.22 119.26 122.80 1llu h ALA 190 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1llu h ALA 190 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1llu h ALA 190 CO 0.02 0.43 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1llu h ARG 191 N 1.04 0.54 0.00 0.00 2.47 -1.20 -1.39 114.38 115.84 1llu h ARG 191 Ca 0.27 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1llu h ARG 191 Cb -0.05 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 1llu h ARG 191 CO -0.05 0.65 0.00 0.00 0.56 0.00 0.00 179.97 181.13 1llu n ALA 192 N -2.35 1.30 -0.35 0.04 0.00 -0.71 -1.07 120.51 117.36 1llu n ALA 192 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1llu n ALA 192 Cb 0.24 -1.32 0.32 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.16 2.72 -1.09 0.00 2.81 -0.50 -4.95 117.12 113.96 1llu n MET 193 Ca 0.00 -2.66 -0.03 0.00 -1.81 0.00 0.00 57.70 53.20 1llu n MET 193 Cb 0.11 -1.57 -0.01 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.66 0.63 3.92 3.03 0.00 -0.23 -3.96 105.19 110.24 1llu n GLY 194 Ca 0.25 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.73 4.29 -0.01 0.99 1.43 -0.58 0.12 118.68 124.20 1llu s LEU 195 Ca 0.00 0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 53.25 1llu s LEU 195 Cb 0.00 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1llu s LEU 195 CO 0.00 0.04 0.59 -1.00 0.23 0.00 0.00 176.35 176.22 1llu s HIS 196 N -1.72 3.67 -0.15 0.29 3.76 0.31 -4.32 115.29 117.13 1llu s HIS 196 Ca 0.37 1.19 -0.02 0.00 -0.15 0.00 0.00 55.06 56.45 1llu s HIS 196 Cb -0.12 -2.61 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1llu s HIS 196 CO 0.28 0.34 -0.08 0.08 -0.85 0.00 0.00 174.74 174.50 1llu s VAL 197 N -0.14 3.39 -0.25 -0.90 1.01 -1.26 -1.29 120.40 120.95 1llu s VAL 197 Ca 0.31 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1llu s VAL 197 Cb -0.18 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1llu s VAL 197 CO 0.17 0.50 -0.02 0.00 0.00 0.00 0.00 175.10 175.74 1llu s ALA 198 N 0.54 2.82 -0.14 5.51 0.00 -0.58 -0.20 121.76 129.71 1llu s ALA 198 Ca -0.06 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 1llu s ALA 198 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1llu s ALA 198 CO 0.03 -0.71 0.06 0.00 0.00 0.00 0.00 175.76 175.14 1llu s ALA 199 N 1.42 3.45 -0.08 0.00 0.00 0.10 -0.16 121.76 126.49 1llu s ALA 199 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1llu s ALA 199 Cb -0.16 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1llu s ALA 199 CO -0.02 0.40 -0.15 0.42 0.00 0.00 0.00 175.76 176.41 1llu s ILE 200 N -0.32 1.39 0.00 0.00 1.09 0.15 -1.21 121.20 122.29 1llu s ILE 200 Ca 0.08 -0.62 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 1llu s ILE 200 Cb -0.12 -1.24 0.00 0.00 -1.06 0.00 0.00 42.46 40.04 1llu s ILE 200 CO 0.02 0.41 0.00 -0.67 -0.10 0.00 0.00 174.94 174.60 1llu n ASP 201 N 3.79 0.00 -0.04 3.58 -0.08 -0.89 0.07 116.55 122.98 1llu n ASP 201 Ca -0.22 -0.94 0.04 0.00 -1.51 0.00 0.00 54.79 52.17 1llu n ASP 201 Cb 0.52 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.03 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 0.00 1.31 -3.74 5.18 -5.35 -1.26 -0.41 119.36 115.08 1llu n ILE 202 Ca 0.00 -1.46 -0.15 0.00 -0.27 0.00 0.00 62.75 60.88 1llu n ILE 202 Cb 0.00 0.22 -0.15 0.00 -1.74 0.00 0.00 39.64 37.97 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 -1.72 0.08 0.44 7.28 3.68 -1.26 -4.70 116.67 120.47 1llu s ASP 203 Ca 0.13 0.23 0.10 0.00 2.13 0.00 0.00 52.55 55.13 1llu s ASP 203 Cb 0.11 0.12 0.98 0.00 -1.45 0.00 0.00 42.92 42.68 1llu s ASP 203 CO 0.01 -0.16 2.08 0.44 0.13 0.00 0.00 175.17 177.67 1llu h ASP 204 N 7.42 0.33 -0.20 -0.34 3.32 -1.98 -1.74 116.42 123.24 1llu h ASP 204 Ca -0.40 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 1llu h ASP 204 Cb 1.13 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1llu h ASP 204 CO 0.40 0.24 -0.10 0.00 -1.72 0.00 0.00 179.24 178.06 1llu h ALA 205 N 1.81 1.20 -0.01 3.45 0.00 -1.99 -0.04 119.26 123.69 1llu h ALA 205 Ca 0.12 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1llu h ALA 205 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1llu h ALA 205 CO -0.03 0.52 -0.73 0.87 0.00 0.00 0.00 179.25 179.88 1llu h LYS 206 N 0.53 0.05 0.00 0.00 1.57 -1.71 -2.24 116.57 114.77 1llu h LYS 206 Ca 0.10 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 1llu h LYS 206 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1llu h LYS 206 CO 0.03 0.75 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.74 1llu h LEU 207 N 0.03 0.13 -0.84 2.94 -0.00 -0.96 -2.46 115.31 114.15 1llu h LEU 207 Ca -0.01 -0.10 -0.12 0.00 -0.00 0.00 0.00 57.88 57.64 1llu h LEU 207 Cb 1.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1llu h LEU 207 CO 0.10 0.92 -0.45 -0.08 -0.00 0.00 0.00 178.44 178.93 1llu h GLU 208 N 0.05 0.30 -0.39 1.13 4.57 -0.88 0.02 114.58 119.38 1llu h GLU 208 Ca -0.03 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 57.91 1llu h GLU 208 Cb 1.48 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 1llu h GLU 208 CO 0.12 0.69 -0.09 1.25 -1.18 0.00 0.00 179.01 179.80 1llu h LEU 209 N 0.24 0.76 -0.48 1.64 5.85 -1.32 -1.37 115.31 120.62 1llu h LEU 209 Ca 0.02 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1llu h LEU 209 Cb 0.89 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1llu h LEU 209 CO 0.07 0.94 0.30 0.00 -0.34 0.00 0.00 178.44 179.42 1llu h ALA 210 N 0.84 0.62 -0.15 1.25 0.00 -1.00 -1.35 119.26 119.48 1llu h ALA 210 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1llu h ALA 210 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1llu h ALA 210 CO 0.04 0.09 0.04 -0.09 0.00 0.00 0.00 179.25 179.33 1llu h ARG 211 N 0.65 0.10 -0.41 0.00 2.43 -0.82 -0.86 114.38 115.47 1llu h ARG 211 Ca 0.17 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1llu h ARG 211 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1llu h ARG 211 CO -0.03 0.07 0.28 0.87 -1.51 0.00 0.00 179.97 179.65 1llu h LYS 212 N 0.11 0.23 -0.18 0.20 1.57 -0.95 -1.65 116.57 115.89 1llu h LYS 212 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1llu h LYS 212 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1llu h LYS 212 CO -0.07 0.15 0.00 1.28 -0.57 0.00 0.00 179.45 180.24 1llu n LEU 213 N -4.47 1.63 0.00 2.94 4.77 -0.53 -4.92 117.00 116.42 1llu n LEU 213 Ca 0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1llu n LEU 213 Cb 0.31 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1llu n LEU 213 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1llu n GLY 214 N 1.11 1.08 3.73 -0.72 0.00 -0.62 -4.39 105.19 105.38 1llu n GLY 214 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.49 -0.07 4.61 0.00 -0.42 -4.56 121.76 122.81 1llu s ALA 215 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1llu s ALA 215 Cb 0.00 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.41 1llu s ALA 215 CO 0.00 -0.48 0.55 0.77 0.00 0.00 0.00 175.76 176.60 1llu h SER 216 N 5.54 0.26 -3.68 0.00 0.02 -0.93 -3.40 113.55 111.36 1llu h SER 216 Ca -0.44 -0.54 -0.68 0.00 -0.84 0.00 0.00 61.79 59.29 1llu h SER 216 Cb 1.21 -0.08 -0.30 0.00 0.14 0.00 0.00 62.40 63.37 1llu h SER 216 CO 0.77 1.48 -0.84 -0.22 -1.14 0.00 0.00 176.83 176.88 1llu s LEU 217 N -6.68 2.29 -0.09 5.07 2.96 -1.01 -5.04 118.68 116.18 1llu s LEU 217 Ca -0.14 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1llu s LEU 217 Cb 0.07 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.32 1llu s LEU 217 CO 0.80 0.22 -0.17 0.28 -1.32 0.00 0.00 176.35 176.16 1llu s THR 218 N 0.02 1.58 -0.07 3.68 -1.32 -1.26 -0.72 115.64 117.55 1llu s THR 218 Ca -0.08 -0.72 0.01 0.00 -1.21 0.00 0.00 61.69 59.69 1llu s THR 218 Cb -0.15 -1.41 0.02 0.00 -1.51 0.00 0.00 72.50 69.45 1llu s THR 218 CO 0.05 0.45 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.15 1llu s VAL 219 N 0.65 0.83 -0.43 5.08 1.01 -0.35 -4.99 120.40 122.21 1llu s VAL 219 Ca -0.14 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1llu s VAL 219 Cb -0.16 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1llu s VAL 219 CO 0.04 0.30 0.35 0.21 0.00 0.00 0.00 175.10 176.00 1llu s ASN 220 N 1.10 6.13 0.11 3.32 3.84 -1.26 -2.09 114.94 126.09 1llu s ASN 220 Ca -0.07 -0.97 0.13 0.00 0.21 0.00 0.00 52.86 52.16 1llu s ASN 220 Cb -0.14 -2.18 0.59 0.00 -0.55 0.00 0.00 41.25 38.97 1llu s ASN 220 CO -0.01 -0.52 1.40 0.00 -2.79 0.00 0.00 177.10 175.18 1llu n ALA 221 N 5.25 1.34 0.86 1.71 0.00 0.45 -1.75 120.51 128.37 1llu n ALA 221 Ca -0.11 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1llu n ALA 221 Cb 0.46 -1.20 0.20 0.00 0.00 0.00 0.00 19.45 18.91 1llu n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1llu n ARG 222 N -1.78 0.10 -0.04 0.00 5.12 -1.26 -4.26 116.66 114.53 1llu n ARG 222 Ca 0.01 0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 55.92 1llu n ARG 222 Cb 0.10 -1.55 -0.08 0.00 -1.16 0.00 0.00 32.46 29.77 1llu n ARG 222 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1llu n GLN 223 N -1.68 1.95 -3.91 5.56 6.02 -0.72 -5.07 117.38 119.54 1llu n GLN 223 Ca 0.05 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1llu n GLN 223 Cb 0.37 -1.27 -0.07 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.35 1.09 -0.30 -1.09 -1.05 -0.90 -5.09 118.70 109.01 1llu s GLU 224 Ca -0.05 -1.08 -0.29 0.00 -0.15 0.00 0.00 54.97 53.40 1llu s GLU 224 Cb 0.04 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.09 1llu s GLU 224 CO 0.43 -0.39 1.67 0.34 0.95 0.00 0.00 175.26 178.26 1llu s ASP 225 N -2.93 6.15 0.24 0.83 -1.08 -1.26 -4.32 116.67 114.30 1llu s ASP 225 Ca 0.13 1.35 -0.06 0.00 -0.52 0.00 0.00 52.55 53.45 1llu s ASP 225 Cb 0.03 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 39.25 1llu s ASP 225 CO -0.03 -1.49 1.89 -0.65 0.52 0.00 0.00 175.17 175.41 1llu h PRO 226 N 11.69 1.12 0.69 4.34 0.11 -1.89 -2.20 132.00 145.88 1llu h PRO 226 Ca -0.33 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1llu h PRO 226 Cb 1.15 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 32.02 1llu h PRO 226 CO 1.03 0.74 -0.33 0.28 -0.21 0.00 0.00 178.00 179.51 1llu h VAL 227 N 1.16 0.28 0.00 3.15 2.07 -1.90 -1.48 116.25 119.53 1llu h VAL 227 Ca 0.37 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1llu h VAL 227 Cb 0.01 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1llu h VAL 227 CO -0.12 0.01 0.00 1.05 0.02 0.00 0.00 177.57 178.53 1llu h GLU 228 N -1.01 0.00 -0.06 1.57 4.11 -1.90 -1.02 114.58 116.27 1llu h GLU 228 Ca -0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 1llu h GLU 228 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1llu h GLU 228 CO 0.16 0.00 -0.20 0.00 0.07 0.00 0.00 179.01 179.04 1llu h ALA 229 N 2.06 0.10 -0.31 1.06 0.00 -1.08 0.39 119.26 121.47 1llu h ALA 229 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1llu h ALA 229 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1llu h ALA 229 CO 0.00 0.06 -0.28 0.82 0.00 0.00 0.00 179.25 179.85 1llu h ILE 230 N -0.29 1.29 -0.44 0.00 1.08 -0.98 0.11 117.51 118.29 1llu h ILE 230 Ca -0.01 -1.45 -0.07 0.00 -0.39 0.00 0.00 64.86 62.94 1llu h ILE 230 Cb 0.83 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 1llu h ILE 230 CO 0.04 0.47 -0.03 -0.61 -0.69 0.00 0.00 178.15 177.33 1llu h GLN 231 N 0.50 0.73 0.01 2.37 5.75 -1.26 -0.78 115.11 122.45 1llu h GLN 231 Ca 0.05 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1llu h GLN 231 Cb 0.85 -0.08 0.01 0.00 1.07 0.00 0.00 27.48 29.33 1llu h GLN 231 CO 0.07 0.77 -0.28 -0.09 -2.65 0.00 0.00 178.83 176.65 1llu h ARG 232 N 0.68 0.17 -0.00 1.69 2.43 -0.80 -1.90 114.38 116.65 1llu h ARG 232 Ca 0.13 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1llu h ARG 232 Cb 0.47 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1llu h ARG 232 CO 0.02 0.97 -0.76 -0.44 -1.51 0.00 0.00 179.97 178.25 1llu h ASP 233 N -0.55 0.05 0.00 -3.80 3.32 -0.77 -3.39 116.42 111.28 1llu h ASP 233 Ca -0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1llu h ASP 233 Cb 1.07 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1llu h ASP 233 CO 0.05 0.79 0.00 2.30 -1.72 0.00 0.00 179.24 180.66 1llu n ILE 234 N -3.66 0.03 -1.11 0.35 -5.35 -0.33 -5.02 119.36 104.27 1llu n ILE 234 Ca -0.01 -0.12 -0.04 0.00 -0.27 0.00 0.00 62.75 62.31 1llu n ILE 234 Cb 0.73 1.66 -0.02 0.00 -1.74 0.00 0.00 39.64 40.28 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 -0.01 0.67 0.00 3.28 0.00 -0.71 -4.79 105.19 103.62 1llu n GLY 235 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.20 2.22 3.86 -0.02 0.00 -1.14 -4.60 105.19 103.30 1llu n GLY 236 Ca -0.04 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.68 3.69 0.31 4.61 0.00 -0.02 -4.42 121.76 124.25 1llu s ALA 237 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1llu s ALA 237 Cb 0.00 -2.33 0.52 0.00 0.00 0.00 0.00 23.12 21.31 1llu s ALA 237 CO 0.00 0.54 1.82 0.45 0.00 0.00 0.00 175.76 178.57 1llu h HIS 238 N 3.72 0.57 -3.95 0.00 3.86 -1.67 -0.90 115.15 116.79 1llu h HIS 238 Ca -0.49 -0.08 -0.38 0.00 -1.16 0.00 0.00 60.37 58.27 1llu h HIS 238 Cb 1.19 -0.16 -0.21 0.00 1.06 0.00 0.00 27.41 29.29 1llu h HIS 238 CO 0.66 0.60 -0.77 0.20 0.86 0.00 0.00 177.93 179.49 1llu s GLY 239 N -3.88 0.77 -0.01 2.45 0.00 -0.70 -1.72 107.32 104.23 1llu s GLY 239 Ca -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.72 1llu s GLY 239 CO 0.78 -0.97 -0.06 0.14 0.00 0.00 0.00 173.10 172.99 1llu s VAL 240 N -1.29 0.49 -0.20 1.40 1.01 0.65 -1.02 120.40 121.44 1llu s VAL 240 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1llu s VAL 240 Cb -0.10 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.89 1llu s VAL 240 CO 0.02 0.16 -0.06 -0.22 0.00 0.00 0.00 175.10 174.99 1llu s LEU 241 N 0.09 2.19 -0.34 3.92 2.96 0.06 0.47 118.68 128.02 1llu s LEU 241 Ca -0.01 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 52.82 1llu s LEU 241 Cb -0.05 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1llu s LEU 241 CO -0.00 -0.20 0.27 -0.69 -1.32 0.00 0.00 176.35 174.41 1llu s VAL 242 N 1.47 5.26 -0.11 1.68 1.01 -0.18 -1.06 120.40 128.47 1llu s VAL 242 Ca -0.03 -0.19 0.13 0.00 0.00 0.00 0.00 61.98 61.90 1llu s VAL 242 Cb -0.17 -3.75 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 1llu s VAL 242 CO -0.07 -0.04 0.11 0.41 0.00 0.00 0.00 175.10 175.50 1llu n THR 243 N 5.14 0.75 -1.60 3.92 -1.04 0.67 -0.82 114.28 121.30 1llu n THR 243 Ca -0.12 -0.53 -0.47 0.00 -2.04 0.00 0.00 64.05 60.89 1llu n THR 243 Cb 0.49 -0.46 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.41 -0.20 -2.54 2.41 0.00 -0.72 -4.24 120.51 112.82 1llu n ALA 244 Ca -0.18 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 1llu n ALA 244 Cb 0.83 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 1.19 4.38 -3.65 0.00 0.31 -1.26 -4.65 118.33 114.64 1llu n VAL 245 Ca 0.13 -4.57 -0.05 0.00 -0.01 0.00 0.00 64.34 59.83 1llu n VAL 245 Cb 0.28 -2.37 -0.06 0.00 -0.91 0.00 0.00 33.84 30.77 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 1.23 -0.92 0.15 4.52 0.15 -1.26 -4.94 113.70 112.63 1llu s SER 246 Ca 0.40 1.43 -0.12 0.00 0.70 0.00 0.00 55.95 58.36 1llu s SER 246 Cb 0.06 1.67 0.01 0.00 -1.71 0.00 0.00 66.02 66.04 1llu s SER 246 CO 0.01 -0.23 1.58 0.78 1.20 0.00 0.00 173.24 176.58 1llu h ASN 247 N 7.49 0.86 -0.12 5.45 4.21 -1.88 -2.92 115.58 128.68 1llu h ASN 247 Ca -0.25 -0.33 -0.07 0.00 1.21 0.00 0.00 56.30 56.86 1llu h ASN 247 Cb 1.17 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 1llu h ASN 247 CO 0.15 0.99 -0.12 0.77 -1.29 0.00 0.00 177.43 177.92 1llu h SER 248 N 0.72 0.44 -0.03 5.81 4.64 -1.97 -1.75 113.55 121.42 1llu h SER 248 Ca 0.13 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1llu h SER 248 Cb 0.57 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1llu h SER 248 CO 0.03 0.60 0.02 0.00 -0.87 0.00 0.00 176.83 176.62 1llu h ALA 249 N 1.45 1.82 -0.27 5.18 0.00 -1.90 -0.19 119.26 125.36 1llu h ALA 249 Ca 0.08 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1llu h ALA 249 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1llu h ALA 249 CO 0.03 -0.04 -0.57 0.74 0.00 0.00 0.00 179.25 179.41 1llu h PHE 250 N 0.00 1.09 -0.26 0.00 -1.00 -1.26 -0.41 116.94 115.11 1llu h PHE 250 Ca 0.01 -0.40 -0.05 0.00 2.81 0.00 0.00 57.97 60.34 1llu h PHE 250 Cb 0.06 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 1llu h PHE 250 CO 0.00 1.23 -0.04 0.78 -1.61 0.00 0.00 178.31 178.67 1llu h GLY 251 N 0.63 0.52 1.43 -1.45 0.00 -1.09 -2.76 103.07 100.35 1llu h GLY 251 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1llu h GLY 251 CO 0.13 0.38 0.18 1.46 0.00 0.00 0.00 176.54 178.68 1llu h GLN 252 N 0.23 0.73 -0.80 4.80 4.20 -1.08 -2.73 115.11 120.46 1llu h GLN 252 Ca 0.07 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1llu h GLN 252 Cb 0.49 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 1llu h GLN 252 CO 0.02 0.62 0.53 0.00 -0.67 0.00 0.00 178.83 179.34 1llu h ALA 253 N 1.47 1.02 -0.22 3.87 0.00 -0.88 -1.45 119.26 123.08 1llu h ALA 253 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1llu h ALA 253 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1llu h ALA 253 CO -0.01 0.43 -0.03 0.82 0.00 0.00 0.00 179.25 180.45 1llu h ILE 254 N 1.09 1.16 0.00 0.00 2.04 -1.21 -1.18 117.51 119.41 1llu h ILE 254 Ca 0.30 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1llu h ILE 254 Cb -0.12 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1llu h ILE 254 CO -0.07 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.90 1llu n GLY 255 N -1.01 -1.26 0.03 5.37 0.00 -0.59 -3.10 105.19 104.62 1llu n GLY 255 Ca 0.00 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1llu n GLY 255 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1llu n MET 256 N -1.31 0.08 -2.44 1.61 2.81 -0.45 -4.85 117.12 112.58 1llu n MET 256 Ca 0.13 -0.05 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 1llu n MET 256 Cb 0.24 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.95 2.99 0.53 3.04 0.00 -1.18 -0.84 121.76 123.35 1llu s ALA 257 Ca 0.12 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 1llu s ALA 257 Cb 0.17 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 1llu s ALA 257 CO 0.70 -0.26 0.82 0.50 0.00 0.00 0.00 175.76 177.53 1llu s ARG 258 N -3.82 3.14 0.29 0.00 3.52 -0.34 -4.57 118.95 117.17 1llu s ARG 258 Ca 0.61 -0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 55.88 1llu s ARG 258 Cb -0.11 -2.35 -0.12 0.00 -1.56 0.00 0.00 34.95 30.80 1llu s ARG 258 CO 0.27 -0.47 1.49 0.54 -0.81 0.00 0.00 175.30 176.33 1llu n ARG 259 N -2.39 2.42 -0.47 5.12 1.74 -1.26 -0.78 116.66 121.04 1llu n ARG 259 Ca 0.03 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 1llu n ARG 259 Cb 0.57 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1llu n ARG 259 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1llu n GLY 260 N 1.88 2.02 3.67 -0.13 0.00 0.11 -5.01 105.19 107.72 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 1.58 -0.08 -0.02 0.00 0.04 -4.71 107.32 102.13 1llu s GLY 261 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.53 1llu s GLY 261 CO 0.00 0.36 -0.21 -1.59 0.00 0.00 0.00 173.10 171.65 1llu s THR 262 N -2.89 1.83 -0.32 0.90 2.01 -0.70 -1.73 115.64 114.73 1llu s THR 262 Ca 0.65 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1llu s THR 262 Cb -0.19 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.77 1llu s THR 262 CO 0.58 0.51 0.08 -0.63 -0.69 0.00 0.00 174.62 174.47 1llu s ILE 263 N 0.28 3.73 -0.20 1.82 1.09 0.42 -0.25 121.20 128.09 1llu s ILE 263 Ca -0.14 -1.03 -0.20 0.00 -1.10 0.00 0.00 60.65 58.18 1llu s ILE 263 Cb -0.16 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.16 1llu s ILE 263 CO 0.06 -0.09 0.59 0.00 -0.10 0.00 0.00 174.94 175.41 1llu s ALA 264 N 1.41 3.54 -0.31 9.38 0.00 0.18 -0.52 121.76 135.44 1llu s ALA 264 Ca -0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.51 1llu s ALA 264 Cb -0.19 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1llu s ALA 264 CO 0.02 -0.53 0.22 -0.51 0.00 0.00 0.00 175.76 174.96 1llu s LEU 265 N 1.83 4.25 0.00 0.00 1.43 0.22 -1.01 118.68 125.40 1llu s LEU 265 Ca 0.27 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1llu s LEU 265 Cb -0.16 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1llu s LEU 265 CO 0.10 -0.14 0.00 0.55 0.23 0.00 0.00 176.35 177.09 1llu n VAL 266 N 5.08 0.00 -1.86 -1.59 3.14 -0.63 -1.43 118.33 121.05 1llu n VAL 266 Ca -0.13 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.87 1llu n VAL 266 Cb 0.51 -0.64 0.04 0.00 -1.06 0.00 0.00 33.84 32.69 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 -2.50 2.84 -0.34 7.55 0.00 0.00 -4.96 107.32 109.92 1llu s GLY 267 Ca 0.00 1.20 0.07 0.00 0.00 0.00 0.00 44.72 45.98 1llu s GLY 267 CO 0.00 1.66 1.16 1.04 0.00 0.00 0.00 173.10 176.96 1llu n LEU 268 N -1.37 4.78 -4.76 0.66 4.77 -1.26 -5.01 117.00 114.80 1llu n LEU 268 Ca 0.12 -4.86 -0.39 0.00 -0.03 0.00 0.00 56.01 50.85 1llu n LEU 268 Cb 0.47 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1llu n LEU 268 CO 0.49 2.13 0.98 -2.16 -1.33 0.00 0.00 177.39 177.50 1llu s PRO 269 N -3.58 3.70 0.70 3.23 0.04 -1.26 -4.94 135.00 132.89 1llu s PRO 269 Ca 0.49 2.20 -0.15 0.00 0.04 0.00 0.00 61.00 63.58 1llu s PRO 269 Cb 0.41 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1llu s PRO 269 CO -0.04 -0.73 1.17 -1.25 0.04 0.00 0.00 177.00 176.20 1llu s PRO 270 N -2.48 2.43 0.00 0.56 0.04 -1.26 -4.84 135.00 129.44 1llu s PRO 270 Ca 0.62 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1llu s PRO 270 Cb -0.39 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1llu s PRO 270 CO 0.49 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.35 1llu n GLY 271 N 0.10 -0.69 3.61 0.56 0.00 -1.26 -4.91 105.19 102.59 1llu n GLY 271 Ca 0.12 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 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 -4.00 4.23 0.15 1.61 1.01 -1.26 -5.15 116.67 113.26 1llu s ASP 272 Ca 0.00 -0.85 0.09 0.00 0.71 0.00 0.00 52.55 52.50 1llu s ASP 272 Cb 0.00 -0.62 -0.04 0.00 1.01 0.00 0.00 42.92 43.27 1llu s ASP 272 CO 0.00 -0.09 -0.21 0.72 0.21 0.00 0.00 175.17 175.80 1llu s PHE 273 N -2.44 1.98 -0.06 4.23 -0.12 -1.26 -4.85 117.98 115.46 1llu s PHE 273 Ca 0.33 -0.42 -0.21 0.00 -0.05 0.00 0.00 56.93 56.58 1llu s PHE 273 Cb -0.04 -1.02 -0.04 0.00 -0.63 0.00 0.00 43.02 41.29 1llu s PHE 273 CO 0.19 0.34 0.59 -1.25 -0.05 0.00 0.00 175.22 175.04 1llu s PRO 274 N -2.43 4.36 -0.34 1.99 0.04 -1.26 -5.05 135.00 132.32 1llu s PRO 274 Ca 0.14 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 61.79 1llu s PRO 274 Cb -0.08 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.08 1llu s PRO 274 CO 0.07 0.19 0.13 0.99 0.04 0.00 0.00 177.00 178.42 1llu s THR 275 N 0.42 4.13 -1.24 1.26 2.01 -1.26 -4.65 115.64 116.31 1llu s THR 275 Ca 0.32 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 1llu s THR 275 Cb -0.17 -3.26 0.07 0.00 0.01 0.00 0.00 72.50 69.15 1llu s THR 275 CO 0.15 -0.11 1.68 -2.84 -0.69 0.00 0.00 174.62 172.82 1llu s PRO 276 N 1.49 3.90 0.23 4.92 0.02 -1.26 -4.85 135.00 139.45 1llu s PRO 276 Ca 0.01 -1.82 -0.16 0.00 0.02 0.00 0.00 61.00 59.05 1llu s PRO 276 Cb -0.19 -5.50 0.26 0.00 0.02 0.00 0.00 34.50 29.09 1llu s PRO 276 CO 0.04 -2.26 1.57 0.82 -0.33 0.00 0.00 177.00 176.84 1llu h ILE 277 N 5.82 0.08 -0.55 2.83 2.04 -1.98 -0.46 117.51 125.29 1llu h ILE 277 Ca 0.40 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.36 1llu h ILE 277 Cb 0.90 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1llu h ILE 277 CO 1.45 0.00 0.10 0.15 0.00 0.00 0.00 178.15 179.85 1llu h PHE 278 N -0.04 0.15 -0.47 1.37 3.57 -1.99 0.68 116.94 120.21 1llu h PHE 278 Ca 0.34 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.75 1llu h PHE 278 Cb 0.60 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1llu h PHE 278 CO -0.76 -0.03 -0.19 -0.44 -2.23 0.00 0.00 178.31 174.66 1llu h ASP 279 N 0.23 0.98 -0.66 0.41 5.19 -1.62 -1.12 116.42 119.84 1llu h ASP 279 Ca 0.28 -0.39 -0.04 0.00 -0.62 0.00 0.00 57.03 56.27 1llu h ASP 279 Cb 0.41 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 1llu h ASP 279 CO -0.38 1.15 0.26 0.58 -3.12 0.00 0.00 179.24 177.74 1llu h VAL 280 N 0.81 1.24 0.52 -1.35 2.07 -0.45 -0.59 116.25 118.49 1llu h VAL 280 Ca 0.11 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1llu h VAL 280 Cb 0.76 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1llu h VAL 280 CO 0.06 0.30 -0.25 0.58 0.02 0.00 0.00 177.57 178.28 1llu h VAL 281 N 0.93 0.00 -0.15 2.57 2.07 -0.80 -0.76 116.25 120.11 1llu h VAL 281 Ca 0.22 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1llu h VAL 281 Cb 0.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1llu h VAL 281 CO -0.02 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.62 1llu h LEU 282 N -1.02 0.00 -1.56 2.57 4.07 -1.24 -1.36 115.31 116.78 1llu h LEU 282 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1llu h LEU 282 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1llu h LEU 282 CO 0.12 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.77 1llu n LYS 283 N -4.31 2.06 -3.74 1.13 5.02 -0.23 -4.97 118.16 113.12 1llu n LYS 283 Ca 0.01 -1.56 -0.25 0.00 -2.02 0.00 0.00 58.31 54.49 1llu n LYS 283 Cb 0.24 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.29 -0.42 3.86 0.72 0.00 -0.51 0.07 105.19 110.19 1llu n GLY 284 Ca 0.16 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.99 3.91 -0.07 0.99 1.43 -0.37 -3.22 118.68 114.36 1llu s LEU 285 Ca 0.35 1.27 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1llu s LEU 285 Cb -0.17 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1llu s LEU 285 CO 0.80 -0.34 -0.18 -1.00 0.23 0.00 0.00 176.35 175.86 1llu s HIS 286 N -2.23 1.97 -0.13 0.29 3.76 -0.71 -4.88 115.29 113.35 1llu s HIS 286 Ca 0.54 -0.71 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 1llu s HIS 286 Cb -0.10 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.24 1llu s HIS 286 CO 0.24 -0.29 -0.16 0.42 -0.85 0.00 0.00 174.74 174.10 1llu s ILE 287 N 0.32 2.68 -0.07 0.60 1.01 -1.26 -0.43 121.20 124.04 1llu s ILE 287 Ca -0.12 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1llu s ILE 287 Cb -0.15 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1llu s ILE 287 CO 0.05 0.53 -0.09 0.00 0.00 0.00 0.00 174.94 175.43 1llu s ALA 288 N 0.53 1.13 -0.06 9.38 0.00 0.32 -4.95 121.76 128.10 1llu s ALA 288 Ca -0.11 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 1llu s ALA 288 Cb -0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1llu s ALA 288 CO 0.04 -0.08 0.59 0.20 0.00 0.00 0.00 175.76 176.51 1llu s GLY 289 N 1.05 2.54 -0.06 0.00 0.00 -1.26 0.70 107.32 110.29 1llu s GLY 289 Ca -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.66 1llu s GLY 289 CO -0.01 0.89 -0.15 -0.45 0.00 0.00 0.00 173.10 173.39 1llu s SER 290 N 0.39 2.02 -0.20 1.64 0.15 -0.51 -4.90 113.70 112.29 1llu s SER 290 Ca 0.31 -0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.61 1llu s SER 290 Cb -0.17 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 1llu s SER 290 CO 0.15 0.09 -0.11 -0.63 1.20 0.00 0.00 173.24 173.94 1llu s ILE 291 N 0.42 2.89 0.00 6.45 1.09 -1.26 -4.52 121.20 126.27 1llu s ILE 291 Ca -0.11 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 1llu s ILE 291 Cb -0.14 -2.28 0.00 0.00 -1.06 0.00 0.00 42.46 38.98 1llu s ILE 291 CO 0.04 0.47 0.00 1.33 -0.10 0.00 0.00 174.94 176.68 1llu n VAL 292 N 4.61 0.00 -3.48 2.92 0.24 -1.26 -4.77 118.33 116.59 1llu n VAL 292 Ca -0.19 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 1llu n VAL 292 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.54 0.97 7.63 0.00 -1.26 -4.21 107.32 109.91 1llu s GLY 293 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.97 1llu s GLY 293 CO 0.00 0.08 1.09 -1.59 0.00 0.00 0.00 173.10 172.68 1llu s THR 294 N -3.77 2.32 0.26 0.90 2.01 -1.26 -4.69 115.64 111.41 1llu s THR 294 Ca 0.02 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1llu s THR 294 Cb -0.01 -2.53 0.20 0.00 0.01 0.00 0.00 72.50 70.17 1llu s THR 294 CO -0.12 -0.14 1.87 0.03 -0.69 0.00 0.00 174.62 175.57 1llu h ARG 295 N -1.83 1.10 -0.32 4.92 3.08 -1.94 0.37 114.38 119.75 1llu h ARG 295 Ca -0.53 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.36 1llu h ARG 295 Cb 1.31 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1llu h ARG 295 CO 0.55 0.84 0.13 0.00 -1.07 0.00 0.00 179.97 180.41 1llu h ALA 296 N 1.33 0.42 -0.48 0.04 0.00 -1.97 -1.33 119.26 117.28 1llu h ALA 296 Ca 0.27 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1llu h ALA 296 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1llu h ALA 296 CO -0.04 0.02 0.25 -0.44 0.00 0.00 0.00 179.25 179.04 1llu h ASP 297 N 0.38 0.37 -0.30 0.00 3.32 -1.68 -1.69 116.42 116.82 1llu h ASP 297 Ca 0.11 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1llu h ASP 297 Cb 0.18 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1llu h ASP 297 CO -0.01 0.26 0.15 0.25 -1.72 0.00 0.00 179.24 178.17 1llu h LEU 298 N 0.49 0.21 -0.93 1.55 5.85 -0.01 0.12 115.31 122.60 1llu h LEU 298 Ca 0.20 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1llu h LEU 298 Cb 0.09 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1llu h LEU 298 CO -0.13 0.16 -0.07 1.56 -0.34 0.00 0.00 178.44 179.62 1llu h GLN 299 N 0.31 0.71 -0.40 1.25 1.08 -1.01 0.53 115.11 117.58 1llu h GLN 299 Ca 0.13 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1llu h GLN 299 Cb 0.05 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1llu h GLN 299 CO -0.09 0.77 0.04 0.93 -0.95 0.00 0.00 178.83 179.53 1llu h GLU 300 N 0.65 0.68 -0.42 1.46 5.08 -1.01 -0.24 114.58 120.78 1llu h GLU 300 Ca 0.12 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1llu h GLU 300 Cb 0.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1llu h GLU 300 CO 0.03 0.75 0.25 0.00 -1.00 0.00 0.00 179.01 179.03 1llu h ALA 301 N 0.91 0.53 -0.40 3.43 0.00 -0.37 -2.45 119.26 120.90 1llu h ALA 301 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1llu h ALA 301 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1llu h ALA 301 CO 0.01 0.02 0.07 -0.07 0.00 0.00 0.00 179.25 179.29 1llu h LEU 302 N 0.55 0.56 -1.08 0.00 3.38 -0.72 -2.65 115.31 115.35 1llu h LEU 302 Ca 0.15 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1llu h LEU 302 Cb 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1llu h LEU 302 CO -0.03 0.58 0.22 0.44 0.09 0.00 0.00 178.44 179.74 1llu h ASP 303 N 0.59 0.80 -0.88 -0.43 3.32 -0.58 0.39 116.42 119.64 1llu h ASP 303 Ca 0.13 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1llu h ASP 303 Cb 0.26 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1llu h ASP 303 CO 0.00 0.73 0.49 -0.26 -1.72 0.00 0.00 179.24 178.48 1llu h PHE 304 N 0.86 1.19 -0.43 4.55 -1.00 -1.11 0.13 116.94 121.13 1llu h PHE 304 Ca 0.20 -0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.82 1llu h PHE 304 Cb 0.20 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 1llu h PHE 304 CO 0.01 0.82 -0.27 0.00 -1.61 0.00 0.00 178.31 177.26 1llu h ALA 305 N 1.31 0.71 -0.19 2.45 0.00 -1.30 -0.80 119.26 121.45 1llu h ALA 305 Ca 0.31 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1llu h ALA 305 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1llu h ALA 305 CO -0.05 0.67 -0.13 0.78 0.00 0.00 0.00 179.25 180.52 1llu h GLY 306 N 0.88 0.33 1.86 0.00 0.00 -0.09 -1.57 103.07 104.49 1llu h GLY 306 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1llu h GLY 306 CO 0.07 0.19 0.00 1.18 0.00 0.00 0.00 176.54 177.99 1llu n GLU 307 N -4.25 0.13 -1.00 4.80 -0.58 0.37 -4.90 120.64 115.22 1llu n GLU 307 Ca -0.00 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1llu n GLU 307 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 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 1.17 0.50 0.21 0.62 0.00 -0.59 -4.90 105.19 102.19 1llu n GLY 308 Ca 0.09 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1llu n GLY 308 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1llu h LEU 309 N 0.00 0.00 -7.75 0.99 3.38 -1.38 -3.44 115.31 107.12 1llu h LEU 309 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1llu h LEU 309 Cb 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.42 1llu h LEU 309 CO 0.00 0.05 -0.77 -0.69 0.09 0.00 0.00 178.44 177.12 1llu s VAL 310 N -3.19 0.47 -0.10 1.22 1.01 -1.17 -4.77 120.40 113.88 1llu s VAL 310 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1llu s VAL 310 Cb 0.05 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1llu s VAL 310 CO 0.68 0.20 0.06 -0.54 0.00 0.00 0.00 175.10 175.50 1llu s LYS 311 N 0.79 0.10 0.42 2.72 1.02 -1.26 -4.30 119.74 119.23 1llu s LYS 311 Ca -0.10 0.14 -0.24 0.00 0.02 0.00 0.00 55.97 55.78 1llu s LYS 311 Cb -0.13 -1.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.97 1llu s LYS 311 CO -0.00 -0.47 1.15 0.00 -0.92 0.00 0.00 175.35 175.11 1llu s ALA 312 N 2.12 3.07 -0.53 5.17 0.00 -1.26 -4.97 121.76 125.36 1llu s ALA 312 Ca 0.04 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 1llu s ALA 312 Cb -0.14 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1llu s ALA 312 CO -0.06 -0.54 0.76 0.99 0.00 0.00 0.00 175.76 176.91 1llu s THR 313 N -1.50 4.68 0.30 0.00 2.01 -1.26 -5.00 115.64 114.87 1llu s THR 313 Ca 0.60 -0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.48 1llu s THR 313 Cb -0.29 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.77 1llu s THR 313 CO 0.35 -0.95 0.01 0.27 -0.69 0.00 0.00 174.62 173.62 1llu s ILE 314 N 3.17 3.01 -0.02 1.82 -4.36 -1.26 -0.98 121.20 122.58 1llu s ILE 314 Ca 0.21 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1llu s ILE 314 Cb -0.17 -2.80 0.02 0.00 1.25 0.00 0.00 42.46 40.76 1llu s ILE 314 CO 0.14 -0.28 0.00 -1.00 0.24 0.00 0.00 174.94 174.04 1llu s HIS 315 N -2.42 0.18 0.60 1.37 3.76 -0.18 -4.93 115.29 113.67 1llu s HIS 315 Ca 0.33 0.03 -0.18 0.00 -0.15 0.00 0.00 55.06 55.10 1llu s HIS 315 Cb -0.03 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.35 1llu s HIS 315 CO 0.20 -0.08 1.17 -1.25 -0.85 0.00 0.00 174.74 173.93 1llu s PRO 316 N 0.76 2.97 0.09 8.40 0.04 -1.26 -0.51 135.00 145.48 1llu s PRO 316 Ca -0.07 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1llu s PRO 316 Cb -0.10 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1llu s PRO 316 CO -0.02 -1.18 0.26 0.20 0.04 0.00 0.00 177.00 176.31 1llu s GLY 317 N -1.82 -0.04 -0.03 0.56 0.00 -0.80 -4.78 107.32 100.41 1llu s GLY 317 Ca 0.74 -0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.15 1llu s GLY 317 CO 0.34 -0.55 -0.08 0.54 0.00 0.00 0.00 173.10 173.35 1llu s LYS 318 N -3.53 2.61 0.34 2.90 1.02 -1.26 -1.01 119.74 120.81 1llu s LYS 318 Ca 0.02 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.43 1llu s LYS 318 Cb 0.03 -2.52 0.78 0.00 -0.52 0.00 0.00 37.83 35.60 1llu s LYS 318 CO -0.09 0.63 1.85 1.25 -0.92 0.00 0.00 175.35 178.06 1llu h LEU 319 N 4.86 0.70 -1.49 3.17 6.46 -1.97 0.78 115.31 127.82 1llu h LEU 319 Ca -0.48 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1llu h LEU 319 Cb 1.17 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1llu h LEU 319 CO 0.53 0.34 0.00 0.44 -0.62 0.00 0.00 178.44 179.13 1llu h ASP 320 N 0.73 0.00 -0.47 1.25 3.32 -1.98 -2.52 116.42 116.76 1llu h ASP 320 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1llu h ASP 320 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1llu h ASP 320 CO -0.23 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.76 1llu n ASP 321 N -2.62 4.14 -0.15 6.45 10.43 0.26 -4.69 116.55 130.37 1llu n ASP 321 Ca -0.00 -2.51 0.10 0.00 2.57 0.00 0.00 54.79 54.95 1llu n ASP 321 Cb 0.18 -0.49 0.43 0.00 1.84 0.00 0.00 41.12 43.07 1llu n ASP 321 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1llu h ILE 322 N 2.99 0.93 -0.30 0.53 6.09 -1.40 -1.07 117.51 125.29 1llu h ILE 322 Ca 0.00 -0.20 -0.06 0.00 -1.37 0.00 0.00 64.86 63.24 1llu h ILE 322 Cb 1.30 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.89 1llu h ILE 322 CO 0.18 0.11 -0.03 0.78 -3.07 0.00 0.00 178.15 176.12 1llu h ASN 323 N 0.58 0.54 0.43 2.19 2.35 -1.86 0.37 115.58 120.18 1llu h ASN 323 Ca 0.31 -0.33 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1llu h ASN 323 Cb 0.47 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1llu h ASN 323 CO -0.10 0.75 -0.44 0.06 -1.65 0.00 0.00 177.43 176.04 1llu h GLN 324 N 0.33 0.02 -0.16 0.81 -0.00 -1.83 -0.56 115.11 113.72 1llu h GLN 324 Ca 0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1llu h GLN 324 Cb 0.49 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1llu h GLN 324 CO 0.02 0.45 -0.05 0.82 -0.00 0.00 0.00 178.83 180.07 1llu h ILE 325 N 0.01 1.30 -0.01 1.86 2.04 -0.97 -0.84 117.51 120.90 1llu h ILE 325 Ca -0.00 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 1llu h ILE 325 Cb 0.79 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1llu h ILE 325 CO 0.06 0.31 -0.29 -0.07 0.00 0.00 0.00 178.15 178.16 1llu h LEU 326 N 0.00 0.01 -0.53 1.44 3.38 -0.70 -1.40 115.31 117.52 1llu h LEU 326 Ca 0.04 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1llu h LEU 326 Cb 0.50 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1llu h LEU 326 CO 0.02 0.30 -0.13 0.44 0.09 0.00 0.00 178.44 179.16 1llu h ASP 327 N 0.01 1.04 -0.35 -0.43 3.32 -0.82 0.19 116.42 119.38 1llu h ASP 327 Ca -0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 1llu h ASP 327 Cb 0.52 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1llu h ASP 327 CO 0.04 1.16 0.11 -0.61 -1.72 0.00 0.00 179.24 178.22 1llu h GLN 328 N 0.91 0.61 -0.14 3.56 4.15 -0.41 -0.91 115.11 122.88 1llu h GLN 328 Ca 0.13 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 1llu h GLN 328 Cb 0.71 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.30 1llu h GLN 328 CO 0.05 0.55 -0.56 1.98 -1.93 0.00 0.00 178.83 178.93 1llu h MET 329 N 0.60 0.62 -0.91 1.69 4.05 -0.86 0.66 114.93 120.78 1llu h MET 329 Ca 0.14 -0.48 0.11 0.00 -0.28 0.00 0.00 59.70 59.19 1llu h MET 329 Cb 0.21 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.02 1llu h MET 329 CO -0.01 1.10 0.54 0.00 0.23 0.00 0.00 176.91 178.78 1llu h ARG 330 N 0.27 0.83 -0.12 0.39 3.08 -0.33 0.09 114.38 118.59 1llu h ARG 330 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1llu h ARG 330 Cb 1.19 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1llu h ARG 330 CO 0.12 0.55 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 1llu n ALA 331 N -2.37 2.54 -3.21 0.04 0.00 -0.41 -4.92 120.51 112.18 1llu n ALA 331 Ca 0.17 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1llu n ALA 331 Cb 0.34 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 0.95 -0.52 1.54 0.00 0.00 0.02 -4.88 105.19 102.30 1llu n GLY 332 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.16 3.88 -3.92 1.61 6.02 0.19 -4.94 117.38 116.07 1llu n GLN 333 Ca -0.07 -2.91 -0.35 0.00 -0.01 0.00 0.00 57.00 53.66 1llu n GLN 333 Cb 0.59 -1.94 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.09 5.14 -0.51 5.09 1.01 -1.25 -4.97 121.20 123.61 1llu s ILE 334 Ca 0.50 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.04 1llu s ILE 334 Cb 0.34 -3.29 0.06 0.00 0.01 0.00 0.00 42.46 39.58 1llu s ILE 334 CO 0.21 0.51 0.62 -0.70 0.00 0.00 0.00 174.94 175.59 1llu s GLU 335 N -0.15 3.11 6.40 2.79 2.12 -1.26 -4.86 118.70 126.85 1llu s GLU 335 Ca 0.09 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.48 1llu s GLU 335 Cb -0.12 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.16 1llu s GLU 335 CO 0.01 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 173.90 1llu n GLY 336 N 5.18 1.80 3.16 -1.50 0.00 -1.26 -4.71 105.19 107.85 1llu n GLY 336 Ca -0.07 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 0.83 -0.19 1.61 6.06 -0.16 -2.98 118.95 124.13 1llu s ARG 337 Ca 0.00 -0.90 -0.04 0.00 -2.50 0.00 0.00 55.73 52.28 1llu s ARG 337 Cb 0.00 -0.83 -0.02 0.00 0.06 0.00 0.00 34.95 34.15 1llu s ARG 337 CO 0.00 0.19 -0.02 0.42 -2.50 0.00 0.00 175.30 173.39 1llu s ILE 338 N -1.18 3.82 -0.19 4.11 1.01 -1.26 -1.01 121.20 126.50 1llu s ILE 338 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1llu s ILE 338 Cb -0.09 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.67 1llu s ILE 338 CO 0.02 0.45 -0.14 -0.69 0.00 0.00 0.00 174.94 174.57 1llu s VAL 339 N 0.90 2.56 0.36 2.92 1.01 0.33 -1.65 120.40 126.84 1llu s VAL 339 Ca 0.00 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 1llu s VAL 339 Cb -0.14 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 1llu s VAL 339 CO 0.02 0.50 1.17 -0.76 0.00 0.00 0.00 175.10 176.02 1llu s LEU 340 N 1.29 4.31 -0.17 3.92 1.43 0.37 -1.90 118.68 127.93 1llu s LEU 340 Ca 0.04 2.37 0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1llu s LEU 340 Cb -0.14 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.22 1llu s LEU 340 CO -0.08 -0.52 -0.18 -1.61 0.23 0.00 0.00 176.35 174.20 1llu s GLU 341 N -2.03 3.09 0.00 1.70 2.02 -0.18 -0.08 118.70 123.23 1llu s GLU 341 Ca 0.53 -0.79 0.30 0.00 0.02 0.00 0.00 54.97 55.03 1llu s GLU 341 Cb -0.32 -2.61 1.52 0.00 0.10 0.00 0.00 34.13 32.82 1llu s GLU 341 CO 0.41 -0.12 2.01 -1.33 0.02 0.00 0.00 175.26 176.25