#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yed s VAL 2 N 0.00 5.10 -0.01 0.00 1.01 -1.26 -3.64 120.40 121.61 1yed s VAL 2 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1yed s VAL 2 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1yed s VAL 2 CO 0.00 0.27 -0.05 -0.54 0.00 0.00 0.00 175.10 174.78 1yed s LYS 3 N 0.82 0.46 -0.15 2.72 -0.14 0.38 -4.99 119.74 118.84 1yed s LYS 3 Ca 0.32 -0.16 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 1yed s LYS 3 Cb -0.16 -0.46 0.03 0.00 -1.68 0.00 0.00 37.83 35.55 1yed s LYS 3 CO 0.14 0.08 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.19 1yed s LEU 4 N 0.06 1.71 -0.12 3.17 1.02 -1.26 -1.87 118.68 121.39 1yed s LEU 4 Ca -0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.61 1yed s LEU 4 Cb -0.04 -1.11 -0.01 0.00 0.02 0.00 0.00 46.19 45.05 1yed s LEU 4 CO -0.00 -0.10 -0.17 -1.10 0.02 0.00 0.00 176.35 175.00 1yed s GLN 5 N 1.52 3.26 0.31 1.70 -0.21 -0.76 -4.14 119.66 121.34 1yed s GLN 5 Ca 0.03 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 54.73 1yed s GLN 5 Cb -0.14 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 1yed s GLN 5 CO -0.10 0.19 0.23 -0.65 -2.12 0.00 0.00 175.29 172.84 1yed s GLN 6 N 0.38 2.69 1.13 2.91 -0.21 -1.26 -0.33 119.66 124.98 1yed s GLN 6 Ca -0.13 -1.28 -0.13 0.00 0.02 0.00 0.00 55.36 53.83 1yed s GLN 6 Cb -0.17 -2.43 0.24 0.00 1.00 0.00 0.00 33.01 31.65 1yed s GLN 6 CO 0.06 0.19 0.84 0.45 -2.12 0.00 0.00 175.29 174.71 1yed n SER 7 N -1.26 -1.62 -4.62 5.90 2.88 -0.85 -4.97 113.62 109.08 1yed n SER 7 Ca -0.04 -0.07 -0.26 0.00 -1.33 0.00 0.00 58.87 57.17 1yed n SER 7 Cb 0.59 -1.23 0.11 0.00 -0.75 0.00 0.00 64.21 62.93 1yed n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1yed s GLY 8 N -2.32 1.74 -0.10 0.46 0.00 -1.26 -4.66 107.32 101.17 1yed s GLY 8 Ca 0.66 -1.23 -0.31 0.00 0.00 0.00 0.00 44.72 43.84 1yed s GLY 8 CO 0.65 -0.67 2.06 -1.05 0.00 0.00 0.00 173.10 174.08 1yed n PRO 9 N -3.15 2.30 -3.71 2.90 -0.02 -1.26 -4.76 135.00 127.29 1yed n PRO 9 Ca 0.12 0.77 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 1yed n PRO 9 Cb 0.60 -2.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.05 1yed n PRO 9 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1yed s GLU 10 N 5.15 3.73 -0.21 -0.52 0.41 -0.59 -4.71 118.70 121.96 1yed s GLU 10 Ca 0.95 0.06 0.01 0.00 -0.41 0.00 0.00 54.97 55.58 1yed s GLU 10 Cb -0.49 -3.24 0.04 0.00 -1.78 0.00 0.00 34.13 28.67 1yed s GLU 10 CO 0.42 0.66 -0.11 -1.17 -0.49 0.00 0.00 175.26 174.58 1yed s LEU 11 N -0.79 2.43 0.06 1.80 0.20 -1.26 -0.79 118.68 120.32 1yed s LEU 11 Ca 0.17 -0.95 0.07 0.00 0.69 0.00 0.00 54.13 54.11 1yed s LEU 11 Cb -0.14 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 1yed s LEU 11 CO 0.07 -0.14 -0.18 0.68 -0.29 0.00 0.00 176.35 176.48 1yed s VAL 12 N 1.35 1.49 0.27 1.68 -7.23 -0.13 -4.97 120.40 112.87 1yed s VAL 12 Ca -0.02 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 1yed s VAL 12 Cb -0.17 -1.33 -0.09 0.00 0.56 0.00 0.00 36.38 35.35 1yed s VAL 12 CO -0.08 0.05 0.97 -0.13 -0.31 0.00 0.00 175.10 175.60 1yed s ARG 13 N -1.39 4.73 0.75 4.82 1.81 -1.24 -0.35 118.95 128.08 1yed s ARG 13 Ca 0.05 1.50 -0.16 0.00 -1.72 0.00 0.00 55.73 55.40 1yed s ARG 13 Cb -0.09 -3.13 -0.04 0.00 -0.45 0.00 0.00 34.95 31.24 1yed s ARG 13 CO 0.02 0.39 0.40 -2.30 -0.68 0.00 0.00 175.30 173.14 1yed n PRO 14 N 1.17 0.19 0.00 3.54 -0.02 -1.26 -2.47 135.00 136.16 1yed n PRO 14 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1yed n PRO 14 Cb 0.47 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1yed n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yed n GLY 15 N 1.78 2.26 0.00 -1.23 0.00 0.88 -4.86 105.19 104.01 1yed n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yed n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yed n THR 16 N -1.74 0.00 -3.66 2.61 -2.24 -1.03 -4.10 114.28 104.11 1yed n THR 16 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1yed n THR 16 Cb 0.00 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.58 1yed n THR 16 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yed s SER 17 N -1.00 -0.31 0.09 3.42 0.15 -1.26 -1.80 113.70 113.00 1yed s SER 17 Ca 0.00 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.73 1yed s SER 17 Cb 0.00 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1yed s SER 17 CO 0.00 -0.65 -0.07 0.68 1.20 0.00 0.00 173.24 174.41 1yed s VAL 18 N -2.30 0.71 -0.18 4.45 -7.23 -0.99 -5.02 120.40 109.84 1yed s VAL 18 Ca -0.06 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1yed s VAL 18 Cb -0.01 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.40 1yed s VAL 18 CO -0.01 -0.81 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.20 1yed s LYS 19 N -3.57 1.18 0.48 4.82 2.20 -1.26 -1.46 119.74 122.13 1yed s LYS 19 Ca 0.10 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 1yed s LYS 19 Cb 0.03 -2.05 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 1yed s LYS 19 CO -0.04 -0.51 0.74 -0.51 -0.36 0.00 0.00 175.35 174.68 1yed s LEU 20 N 1.68 3.61 0.02 5.43 1.43 0.71 -4.92 118.68 126.64 1yed s LEU 20 Ca -0.00 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1yed s LEU 20 Cb -0.16 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1yed s LEU 20 CO -0.07 -0.67 -0.03 -0.94 0.23 0.00 0.00 176.35 174.87 1yed s SER 21 N -4.17 0.23 -0.25 2.29 1.04 -1.26 -1.95 113.70 109.63 1yed s SER 21 Ca 0.48 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 1yed s SER 21 Cb -0.10 0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.17 1yed s SER 21 CO 0.42 -0.22 0.04 0.00 0.98 0.00 0.00 173.24 174.46 1yed s LYS 23 N 1.65 3.56 0.44 0.00 2.20 0.55 -0.26 119.74 127.88 1yed s LYS 23 Ca 0.02 -0.31 -0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1yed s LYS 23 Cb -0.18 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1yed s LYS 23 CO -0.14 -0.61 0.70 0.95 -0.36 0.00 0.00 175.35 175.89 1yed s THR 24 N 2.23 4.82 -0.26 3.43 -4.23 0.48 -1.83 115.64 120.28 1yed s THR 24 Ca 0.15 -0.10 -0.26 0.00 -1.18 0.00 0.00 61.69 60.30 1yed s THR 24 Cb -0.16 -3.81 0.15 0.00 1.34 0.00 0.00 72.50 70.02 1yed s THR 24 CO 0.13 -0.68 1.16 -0.94 -0.54 0.00 0.00 174.62 173.74 1yed s SER 25 N -4.10 -0.30 0.00 3.99 1.04 -0.78 -4.83 113.70 108.71 1yed s SER 25 Ca 0.45 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1yed s SER 25 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1yed s SER 25 CO 0.41 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1yed n GLY 26 N 1.62 2.09 3.23 7.32 0.00 -1.24 -0.47 105.19 117.74 1yed n GLY 26 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1yed n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yed s TYR 27 N -2.49 1.24 -0.94 1.61 1.13 -1.26 -4.43 117.35 112.21 1yed s TYR 27 Ca 0.00 -1.29 -0.22 0.00 -1.41 0.00 0.00 57.07 54.15 1yed s TYR 27 Cb 0.00 -0.65 0.08 0.00 -1.10 0.00 0.00 41.96 40.28 1yed s TYR 27 CO 0.00 -0.52 1.28 -1.50 -2.51 0.00 0.00 175.55 172.30 1yed s ILE 28 N -4.01 4.23 0.06 -3.49 2.07 -1.26 -4.94 121.20 113.86 1yed s ILE 28 Ca 0.36 -0.94 -0.11 0.00 -1.41 0.00 0.00 60.65 58.55 1yed s ILE 28 Cb 0.07 -4.92 -0.02 0.00 0.13 0.00 0.00 42.46 37.72 1yed s ILE 28 CO 0.11 -1.74 0.61 0.33 -1.91 0.00 0.00 174.94 172.34 1yed n PHE 29 N 7.99 -0.15 0.38 3.50 7.35 -1.26 -1.16 117.46 134.10 1yed n PHE 29 Ca 0.25 0.44 0.05 0.00 -0.76 0.00 0.00 57.45 57.42 1yed n PHE 29 Cb 0.50 -0.48 0.22 0.00 0.35 0.00 0.00 39.48 40.07 1yed n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1yed n THR 30 N -4.16 1.18 0.62 -2.13 -2.24 -1.26 -3.18 114.28 103.10 1yed n THR 30 Ca 0.01 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 1yed n THR 30 Cb 0.09 -1.13 0.25 0.00 -2.10 0.00 0.00 70.33 67.45 1yed n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1yed n SER 31 N -1.44 2.50 -3.88 3.42 7.64 -0.31 -2.35 113.62 119.19 1yed n SER 31 Ca 0.03 -1.93 -0.11 0.00 1.01 0.00 0.00 58.87 57.88 1yed n SER 31 Cb 0.11 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 1yed n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yed s TYR 32 N -1.48 0.09 0.22 1.43 1.51 -1.19 -5.08 117.35 112.85 1yed s TYR 32 Ca 0.33 -0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 55.86 1yed s TYR 32 Cb 0.18 -0.07 -0.09 0.00 -0.11 0.00 0.00 41.96 41.87 1yed s TYR 32 CO 0.25 -0.33 0.88 -1.58 -1.11 0.00 0.00 175.55 173.66 1yed s TRP 33 N -1.86 3.92 -0.18 2.71 0.52 -1.26 -4.23 118.94 118.56 1yed s TRP 33 Ca -0.11 1.79 -0.01 0.00 0.02 0.00 0.00 56.10 57.79 1yed s TRP 33 Cb -0.05 -2.89 -0.00 0.00 -1.15 0.00 0.00 33.47 29.38 1yed s TRP 33 CO -0.01 0.45 -0.12 0.42 0.02 0.00 0.00 176.95 177.71 1yed s ILE 34 N -1.22 2.84 -0.02 2.03 1.01 0.01 -4.18 121.20 121.66 1yed s ILE 34 Ca 0.40 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1yed s ILE 34 Cb -0.24 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1yed s ILE 34 CO 0.29 0.49 0.11 -1.00 0.00 0.00 0.00 174.94 174.82 1yed s HIS 35 N 1.12 3.38 -0.09 3.97 3.76 -0.13 -1.13 115.29 126.17 1yed s HIS 35 Ca 0.01 0.27 0.03 0.00 -0.15 0.00 0.00 55.06 55.23 1yed s HIS 35 Cb -0.14 -1.78 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1yed s HIS 35 CO -0.04 0.59 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.66 1yed s TRP 36 N -1.20 2.61 0.19 1.40 0.52 -0.16 -0.31 118.94 122.00 1yed s TRP 36 Ca 0.23 -0.70 0.10 0.00 0.02 0.00 0.00 56.10 55.75 1yed s TRP 36 Cb -0.12 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 1yed s TRP 36 CO 0.14 -0.21 -0.20 -0.51 0.02 0.00 0.00 176.95 176.18 1yed s LEU 37 N 0.03 2.46 -0.15 2.99 1.02 0.31 -1.62 118.68 123.72 1yed s LEU 37 Ca -0.07 -0.90 0.01 0.00 0.02 0.00 0.00 54.13 53.19 1yed s LEU 37 Cb -0.15 -0.99 0.00 0.00 0.02 0.00 0.00 46.19 45.08 1yed s LEU 37 CO 0.05 0.03 -0.18 -0.75 0.02 0.00 0.00 176.35 175.52 1yed s LYS 38 N -2.90 3.13 -0.47 1.70 2.20 -0.70 -0.58 119.74 122.12 1yed s LYS 38 Ca 0.20 -0.79 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1yed s LYS 38 Cb -0.06 -2.56 0.12 0.00 -1.51 0.00 0.00 37.83 33.82 1yed s LYS 38 CO 0.09 -0.02 0.22 -1.14 -0.36 0.00 0.00 175.35 174.14 1yed s GLN 39 N 0.87 1.90 0.40 4.03 0.74 0.43 -1.12 119.66 126.91 1yed s GLN 39 Ca -0.05 -2.33 0.08 0.00 0.05 0.00 0.00 55.36 53.10 1yed s GLN 39 Cb -0.15 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.60 1yed s GLN 39 CO -0.02 -1.06 0.51 0.45 -0.55 0.00 0.00 175.29 174.62 1yed s SER 40 N 0.34 5.64 0.27 6.67 0.15 -1.26 -2.11 113.70 123.39 1yed s SER 40 Ca 0.15 -0.41 -0.18 0.00 0.70 0.00 0.00 55.95 56.20 1yed s SER 40 Cb -0.23 -0.78 -0.09 0.00 -1.71 0.00 0.00 66.02 63.21 1yed s SER 40 CO -0.03 -0.66 0.74 -0.55 1.20 0.00 0.00 173.24 173.94 1yed s SER 41 N -4.27 6.95 0.00 5.45 0.15 -1.26 -1.78 113.70 118.93 1yed s SER 41 Ca 0.51 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1yed s SER 41 Cb -0.09 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1yed s SER 41 CO 0.32 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1yed n GLY 42 N 0.25 1.73 0.23 9.45 0.00 -1.26 -4.26 105.19 111.34 1yed n GLY 42 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1yed n GLY 42 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1yed h GLN 43 N 0.00 -0.21 -4.57 1.61 4.20 -2.01 -3.48 115.11 110.64 1yed h GLN 43 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1yed h GLN 43 Cb 0.00 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1yed h GLN 43 CO 0.00 -0.14 -1.03 0.41 -0.67 0.00 0.00 178.83 177.39 1yed n GLY 44 N -1.20 -5.54 2.87 3.46 0.00 -0.74 -4.92 105.19 99.13 1yed n GLY 44 Ca -0.02 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 1yed n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yed n LEU 45 N 1.67 -5.64 -4.19 0.99 4.77 -1.09 -4.87 117.00 108.64 1yed n LEU 45 Ca -0.08 1.42 -0.23 0.00 -0.03 0.00 0.00 56.01 57.08 1yed n LEU 45 Cb 0.13 -2.49 -0.14 0.00 -2.33 0.00 0.00 43.42 38.59 1yed n LEU 45 CO 0.08 -3.08 -0.50 -1.61 -1.33 0.00 0.00 177.39 170.95 1yed s GLU 46 N -0.72 1.24 -0.19 3.23 2.02 -0.27 -4.98 118.70 119.03 1yed s GLU 46 Ca -0.10 -0.78 -0.23 0.00 0.02 0.00 0.00 54.97 53.89 1yed s GLU 46 Cb 0.01 -1.27 -0.02 0.00 0.10 0.00 0.00 34.13 32.94 1yed s GLU 46 CO 0.42 0.33 0.72 -0.46 0.02 0.00 0.00 175.26 176.29 1yed s TRP 47 N -0.68 3.39 -0.17 1.61 -0.00 -1.26 -1.73 118.94 120.10 1yed s TRP 47 Ca 0.05 1.06 -0.13 0.00 -0.00 0.00 0.00 56.10 57.08 1yed s TRP 47 Cb -0.08 -2.89 -0.08 0.00 -0.00 0.00 0.00 33.47 30.42 1yed s TRP 47 CO 0.01 -0.21 -0.09 -0.89 -0.00 0.00 0.00 176.95 175.77 1yed n ILE 48 N 4.74 1.46 -3.78 5.86 5.41 -0.64 -4.67 119.36 127.73 1yed n ILE 48 Ca 0.01 0.13 -0.01 0.00 1.00 0.00 0.00 62.75 63.89 1yed n ILE 48 Cb 0.49 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 1yed n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yed s ALA 49 N -2.63 -1.98 0.04 -1.39 0.00 -1.23 -1.47 121.76 113.10 1yed s ALA 49 Ca -0.20 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 1yed s ALA 49 Cb 0.04 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1yed s ALA 49 CO 0.34 -1.07 0.20 -0.98 0.00 0.00 0.00 175.76 174.25 1yed s ARG 50 N -2.48 0.71 0.00 0.00 1.70 -0.72 -0.99 118.95 117.17 1yed s ARG 50 Ca 0.18 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.80 1yed s ARG 50 Cb 0.01 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1yed s ARG 50 CO 0.00 -0.21 0.01 -1.50 -1.08 0.00 0.00 175.30 172.53 1yed s ILE 51 N -2.63 0.04 -0.42 4.99 2.07 -0.28 -1.89 121.20 123.07 1yed s ILE 51 Ca -0.05 -0.36 -0.06 0.00 -1.41 0.00 0.00 60.65 58.77 1yed s ILE 51 Cb -0.01 -0.15 0.10 0.00 0.13 0.00 0.00 42.46 42.54 1yed s ILE 51 CO -0.04 -0.20 0.24 -0.47 -1.91 0.00 0.00 174.94 172.56 1yed s TYR 52 N -0.59 3.47 0.54 3.50 5.04 -0.63 -0.81 117.35 127.87 1yed s TYR 52 Ca -0.07 -2.04 0.27 0.00 -2.44 0.00 0.00 57.07 52.80 1yed s TYR 52 Cb -0.04 -3.18 1.44 0.00 0.35 0.00 0.00 41.96 40.52 1yed s TYR 52 CO -0.00 -0.94 1.96 -1.35 -1.34 0.00 0.00 175.55 173.87 1yed h PRO 52 N 8.24 0.00 0.15 4.97 0.11 -1.80 0.70 132.00 144.37 1yed h PRO 52 Ca -0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1yed h PRO 52 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yed h PRO 52 CO 0.75 0.00 -0.07 0.78 -0.21 0.00 0.00 178.00 179.25 1yed h GLY 53 N 0.00 -0.21 -0.21 -0.55 0.00 -1.77 -3.32 103.07 97.01 1yed h GLY 53 Ca 0.30 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1yed h GLY 53 CO -0.00 -0.08 -0.79 -1.30 0.00 0.00 0.00 176.54 174.37 1yed n THR 54 N -5.10 0.00 -1.07 4.70 -2.24 -1.04 -4.97 114.28 104.56 1yed n THR 54 Ca -0.09 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1yed n THR 54 Cb 0.17 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 1yed n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yed n GLY 55 N 1.42 0.50 3.72 3.38 0.00 0.24 -4.99 105.19 109.47 1yed n GLY 55 Ca 0.05 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1yed n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yed s GLY 56 N -2.25 2.84 0.45 -0.02 0.00 -1.19 -4.83 107.32 102.31 1yed s GLY 56 Ca 0.00 0.40 0.06 0.00 0.00 0.00 0.00 44.72 45.18 1yed s GLY 56 CO 0.00 1.41 0.23 -0.51 0.00 0.00 0.00 173.10 174.23 1yed s THR 57 N 0.56 2.06 -0.14 0.90 -4.23 -1.26 -1.61 115.64 111.92 1yed s THR 57 Ca 0.45 -1.65 -0.08 0.00 -1.18 0.00 0.00 61.69 59.23 1yed s THR 57 Cb -0.21 -2.71 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1yed s THR 57 CO 0.25 0.00 0.35 -0.31 -0.54 0.00 0.00 174.62 174.37 1yed s TYR 58 N -2.66 -0.49 -0.05 3.99 1.51 -0.79 -5.00 117.35 113.86 1yed s TYR 58 Ca 0.36 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.56 1yed s TYR 58 Cb 0.02 0.18 -0.01 0.00 -0.11 0.00 0.00 41.96 42.04 1yed s TYR 58 CO 0.21 -0.29 -0.21 0.71 -1.11 0.00 0.00 175.55 174.86 1yed s TYR 59 N 1.21 2.07 0.16 2.71 1.51 -1.26 -1.76 117.35 121.99 1yed s TYR 59 Ca -0.08 -0.62 -0.32 0.00 -1.01 0.00 0.00 57.07 55.05 1yed s TYR 59 Cb -0.08 -1.37 -0.10 0.00 -0.11 0.00 0.00 41.96 40.29 1yed s TYR 59 CO -0.10 -0.20 1.55 1.21 -1.11 0.00 0.00 175.55 176.91 1yed s ASN 60 N -0.04 6.60 0.44 2.29 3.84 -0.54 -4.86 114.94 122.67 1yed s ASN 60 Ca -0.04 2.60 0.24 0.00 0.21 0.00 0.00 52.86 55.87 1yed s ASN 60 Cb -0.13 -2.59 1.26 0.00 -0.55 0.00 0.00 41.25 39.23 1yed s ASN 60 CO 0.03 -0.81 1.77 1.05 -2.79 0.00 0.00 177.10 176.35 1yed h GLU 61 N 6.77 0.25 0.00 0.43 4.11 -1.94 -0.82 114.58 123.38 1yed h GLU 61 Ca -0.43 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 1yed h GLU 61 Cb 1.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1yed h GLU 61 CO 0.91 0.17 -0.08 -0.22 0.07 0.00 0.00 179.01 179.85 1yed h LYS 62 N 0.26 0.00 -0.21 1.06 3.64 -1.94 -2.85 116.57 116.53 1yed h LYS 62 Ca 0.61 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1yed h LYS 62 Cb 1.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1yed h LYS 62 CO -0.23 0.08 0.00 1.19 -2.27 0.00 0.00 179.45 178.22 1yed n PHE 63 N -3.51 0.34 -2.10 1.91 3.01 -0.33 -4.97 117.46 111.82 1yed n PHE 63 Ca -0.02 -0.57 -0.43 0.00 1.01 0.00 0.00 57.45 57.44 1yed n PHE 63 Cb 0.21 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1yed n PHE 63 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1yed s LYS 64 N -1.33 3.63 0.00 -1.08 2.20 -1.08 -1.88 119.74 120.20 1yed s LYS 64 Ca 0.19 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1yed s LYS 64 Cb 0.12 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1yed s LYS 64 CO 0.09 -1.50 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 1yed n GLY 65 N 4.95 0.60 0.71 5.54 0.00 -1.26 -4.91 105.19 110.82 1yed n GLY 65 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1yed n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yed n LYS 66 N -1.43 0.20 -4.07 1.61 3.00 -0.79 -5.00 118.16 111.68 1yed n LYS 66 Ca 0.00 0.09 -0.31 0.00 -0.00 0.00 0.00 58.31 58.09 1yed n LYS 66 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 35.03 34.13 1yed n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yed s ALA 67 N -2.18 3.52 -0.05 3.14 0.00 -1.02 -4.02 121.76 121.14 1yed s ALA 67 Ca -0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 1yed s ALA 67 Cb 0.05 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.80 1yed s ALA 67 CO 0.16 0.74 0.11 0.99 0.00 0.00 0.00 175.76 177.76 1yed s THR 68 N -1.36 -0.07 0.10 0.00 2.01 -0.73 -4.84 115.64 110.74 1yed s THR 68 Ca 0.28 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.53 1yed s THR 68 Cb -0.12 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1yed s THR 68 CO 0.21 0.09 0.13 -0.76 -0.69 0.00 0.00 174.62 173.60 1yed s LEU 69 N 1.29 3.93 0.30 4.42 1.43 -1.26 -1.15 118.68 127.64 1yed s LEU 69 Ca -0.07 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1yed s LEU 69 Cb -0.12 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.53 1yed s LEU 69 CO -0.05 0.14 0.58 0.42 0.23 0.00 0.00 176.35 177.66 1yed s THR 70 N -1.52 0.00 -0.03 5.49 -4.23 -0.73 -5.00 115.64 109.62 1yed s THR 70 Ca 0.31 -1.30 -0.19 0.00 -1.18 0.00 0.00 61.69 59.33 1yed s THR 70 Cb -0.12 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.39 1yed s THR 70 CO 0.24 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.73 1yed s ALA 71 N -3.51 -1.05 -0.32 3.99 0.00 -1.26 -1.43 121.76 118.18 1yed s ALA 71 Ca 0.21 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1yed s ALA 71 Cb -0.02 0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.21 1yed s ALA 71 CO 0.11 -0.29 0.01 0.34 0.00 0.00 0.00 175.76 175.93 1yed s ASP 72 N -1.23 4.71 0.17 0.00 -1.08 0.90 -4.98 116.67 115.15 1yed s ASP 72 Ca -0.12 -1.87 -0.14 0.00 -0.52 0.00 0.00 52.55 49.89 1yed s ASP 72 Cb -0.04 -1.62 0.12 0.00 -1.46 0.00 0.00 42.92 39.92 1yed s ASP 72 CO 0.06 -0.33 1.74 0.11 0.52 0.00 0.00 175.17 177.27 1yed h LYS 73 N 7.71 0.28 -0.52 4.34 1.57 -1.93 0.33 116.57 128.35 1yed h LYS 73 Ca -0.10 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1yed h LYS 73 Cb 1.03 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1yed h LYS 73 CO 0.51 0.19 0.28 0.77 -0.57 0.00 0.00 179.45 180.62 1yed h SER 74 N 0.29 0.41 0.43 0.86 0.02 -1.97 -2.79 113.55 110.79 1yed h SER 74 Ca 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1yed h SER 74 Cb 0.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1yed h SER 74 CO -0.23 0.28 -0.73 -1.54 -1.14 0.00 0.00 176.83 173.47 1yed n SER 75 N -4.86 0.63 -3.20 3.07 3.41 -1.14 -4.97 113.62 106.56 1yed n SER 75 Ca 0.05 -0.33 -0.18 0.00 -0.26 0.00 0.00 58.87 58.15 1yed n SER 75 Cb 0.13 0.51 0.08 0.00 -0.26 0.00 0.00 64.21 64.66 1yed n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yed n SER 76 N -1.67 -3.54 -4.04 4.04 7.64 0.11 -4.72 113.62 111.44 1yed n SER 76 Ca 0.04 -0.52 -0.27 0.00 1.01 0.00 0.00 58.87 59.13 1yed n SER 76 Cb 0.37 -4.59 -0.17 0.00 -1.01 0.00 0.00 64.21 58.81 1yed n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1yed s THR 77 N -3.31 1.32 -0.05 0.44 2.01 -0.92 -0.39 115.64 114.74 1yed s THR 77 Ca 0.20 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 1yed s THR 77 Cb -0.09 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1yed s THR 77 CO 0.65 0.40 0.14 0.00 -0.69 0.00 0.00 174.62 175.12 1yed s ALA 78 N 0.85 3.81 0.14 7.40 0.00 0.65 -0.07 121.76 134.54 1yed s ALA 78 Ca -0.10 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1yed s ALA 78 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1yed s ALA 78 CO 0.01 0.69 -0.22 0.71 0.00 0.00 0.00 175.76 176.95 1yed s TYR 79 N -1.18 1.98 -0.03 0.00 1.51 -0.51 -0.03 117.35 119.08 1yed s TYR 79 Ca 0.22 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1yed s TYR 79 Cb -0.12 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.71 1yed s TYR 79 CO 0.12 0.32 -0.05 1.41 -1.11 0.00 0.00 175.55 176.24 1yed s MET 80 N -2.34 0.73 -0.08 -0.62 1.75 -0.82 -1.77 119.30 116.15 1yed s MET 80 Ca 0.13 -0.15 0.04 0.00 -1.25 0.00 0.00 55.69 54.46 1yed s MET 80 Cb -0.08 -0.73 -0.01 0.00 2.84 0.00 0.00 34.83 36.85 1yed s MET 80 CO 0.06 -0.00 -0.22 -1.14 -0.65 0.00 0.00 175.02 173.07 1yed s GLN 81 N 0.55 2.87 0.38 4.11 0.74 -0.30 -0.21 119.66 127.81 1yed s GLN 81 Ca -0.07 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.58 1yed s GLN 81 Cb -0.11 -2.31 -0.04 0.00 1.10 0.00 0.00 33.01 31.65 1yed s GLN 81 CO 0.00 0.30 0.20 -0.51 -0.55 0.00 0.00 175.29 174.73 1yed s LEU 82 N 0.06 3.22 0.00 3.68 1.43 -0.53 -1.77 118.68 124.77 1yed s LEU 82 Ca -0.09 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1yed s LEU 82 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1yed s LEU 82 CO 0.06 -0.46 0.00 -1.20 0.23 0.00 0.00 176.35 174.97 1yed n SER 82 N -1.26 0.00 -4.76 2.29 7.64 -0.74 -2.36 113.62 114.43 1yed n SER 82 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.49 1yed n SER 82 Cb 0.63 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.84 1yed n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1yed s LEU 82 N -0.24 3.94 0.22 -3.43 1.43 -1.02 -4.65 118.68 114.95 1yed s LEU 82 Ca 0.00 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 1yed s LEU 82 Cb 0.00 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 1yed s LEU 82 CO 0.00 -1.25 0.11 -0.54 0.23 0.00 0.00 176.35 174.90 1yed s LYS 83 N -2.78 1.29 0.39 1.70 1.02 -1.26 -0.08 119.74 120.02 1yed s LYS 83 Ca 0.67 -1.69 0.11 0.00 0.02 0.00 0.00 55.97 55.09 1yed s LYS 83 Cb -0.35 0.01 0.91 0.00 -0.52 0.00 0.00 37.83 37.87 1yed s LYS 83 CO 0.42 -0.34 1.92 0.77 -0.92 0.00 0.00 175.35 177.21 1yed h SER 84 N 2.52 0.53 0.23 2.83 0.02 -1.97 0.26 113.55 117.96 1yed h SER 84 Ca -0.37 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1yed h SER 84 Cb 1.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1yed h SER 84 CO 0.57 0.29 0.00 -0.33 -1.14 0.00 0.00 176.83 176.22 1yed h GLU 85 N 0.58 0.00 -0.00 3.45 3.07 -1.95 -2.21 114.58 117.51 1yed h GLU 85 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1yed h GLU 85 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1yed h GLU 85 CO -0.14 0.00 -0.23 -0.25 -1.40 0.00 0.00 179.01 176.99 1yed n ASP 86 N -2.74 0.65 -4.64 1.42 8.00 0.90 -4.86 116.55 115.28 1yed n ASP 86 Ca -0.01 -0.55 -0.43 0.00 0.71 0.00 0.00 54.79 54.51 1yed n ASP 86 Cb 0.11 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1yed n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1yed s SER 87 N -2.63 6.70 0.02 -2.24 0.01 -0.83 -4.88 113.70 109.86 1yed s SER 87 Ca 0.22 1.59 -0.10 0.00 1.31 0.00 0.00 55.95 58.97 1yed s SER 87 Cb 0.19 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.92 1yed s SER 87 CO 0.54 -0.99 0.46 0.00 0.41 0.00 0.00 173.24 173.66 1yed n ALA 88 N 7.39 -1.26 -3.02 1.44 0.00 -0.94 -4.76 120.51 119.36 1yed n ALA 88 Ca 0.16 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 1yed n ALA 88 Cb 0.45 0.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.91 1yed n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yed s VAL 89 N -2.21 4.25 -0.10 0.00 1.01 -0.90 -1.24 120.40 121.21 1yed s VAL 89 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1yed s VAL 89 Cb -0.01 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1yed s VAL 89 CO 0.01 0.40 0.06 -0.31 0.00 0.00 0.00 175.10 175.26 1yed s TYR 90 N 1.08 3.34 0.29 5.22 1.51 -0.83 -0.43 117.35 127.53 1yed s TYR 90 Ca 0.03 0.32 0.12 0.00 -1.01 0.00 0.00 57.07 56.53 1yed s TYR 90 Cb -0.14 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.79 1yed s TYR 90 CO 0.02 0.56 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.78 1yed s PHE 91 N -0.88 2.32 -0.00 2.71 0.08 0.25 -1.79 117.98 120.67 1yed s PHE 91 Ca 0.13 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.86 1yed s PHE 91 Cb -0.12 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 1yed s PHE 91 CO 0.03 0.70 -0.07 0.00 -0.10 0.00 0.00 175.22 175.78 1yed s THR 93 N -0.22 0.07 -1.13 0.00 -1.32 0.58 -0.72 115.64 112.91 1yed s THR 93 Ca 0.02 -0.61 -0.08 0.00 -1.21 0.00 0.00 61.69 59.81 1yed s THR 93 Cb -0.03 -0.69 0.27 0.00 -1.51 0.00 0.00 72.50 70.54 1yed s THR 93 CO -0.00 -0.34 1.33 -1.14 -2.21 0.00 0.00 174.62 172.27 1yed n ARG 94 N 1.08 3.88 -0.32 7.08 0.63 0.41 -0.96 116.66 128.46 1yed n ARG 94 Ca -0.21 -4.37 0.18 0.00 -0.92 0.00 0.00 57.85 52.53 1yed n ARG 94 Cb 0.57 -2.61 0.36 0.00 0.45 0.00 0.00 32.46 31.23 1yed n ARG 94 CO 0.00 0.00 0.00 2.35 -2.51 0.00 0.00 177.63 177.47 1yed h TRP 95 N 6.18 0.38 0.00 -0.14 -0.00 -1.81 -2.87 115.95 117.69 1yed h TRP 95 Ca 0.21 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 59.16 1yed h TRP 95 Cb 0.76 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.91 1yed h TRP 95 CO 0.91 -0.32 0.00 0.41 -0.00 0.00 0.00 178.44 179.44 1yed n GLY 96 N -1.38 0.69 3.77 2.65 0.00 -1.26 -3.89 105.19 105.77 1yed n GLY 96 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1yed n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yed s PHE 97 N -2.48 3.42 0.00 1.61 5.36 -1.26 0.13 117.98 124.76 1yed s PHE 97 Ca 0.00 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1yed s PHE 97 Cb 0.00 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1yed s PHE 97 CO 0.00 -0.55 0.00 0.25 -1.46 0.00 0.00 175.22 173.46 1yed n THR 98 N 0.50 0.00 -4.16 0.12 -2.24 -1.26 -4.86 114.28 102.38 1yed n THR 98 Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1yed n THR 98 Cb 0.48 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 1yed n THR 98 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1yed s THR 99 N 0.85 0.46 0.57 4.28 -4.23 -1.26 -4.98 115.64 111.33 1yed s THR 99 Ca 0.00 -1.91 0.29 0.00 -1.18 0.00 0.00 61.69 58.89 1yed s THR 99 Cb 0.00 -1.81 0.41 0.00 1.34 0.00 0.00 72.50 72.44 1yed s THR 99 CO 0.00 -0.74 1.90 0.58 -0.54 0.00 0.00 174.62 175.82 1yed h VAL 100 N 2.93 0.44 0.11 2.29 2.07 -1.99 0.33 116.25 122.42 1yed h VAL 100 Ca -0.35 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 66.84 1yed h VAL 100 Cb 1.17 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1yed h VAL 100 CO 0.63 0.00 -1.72 0.03 0.02 0.00 0.00 177.57 176.53 1yed h ARG 100 N 0.00 0.23 -0.29 1.57 3.08 -2.06 -3.34 114.38 113.57 1yed h ARG 100 Ca 0.27 -0.40 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 1yed h ARG 100 Cb 1.31 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 1yed h ARG 100 CO -0.00 1.19 -0.52 1.49 -1.07 0.00 0.00 179.97 181.06 1yed h GLU 100 N -0.19 0.84 -5.73 0.04 4.81 -1.78 -3.54 114.58 109.03 1yed h GLU 100 Ca -0.38 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.34 1yed h GLU 100 Cb 1.86 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.29 1yed h GLU 100 CO 0.04 1.15 -0.99 0.09 -0.73 0.00 0.00 179.01 178.58 1yed n ASN 100 N -4.01 -7.09 -3.15 1.04 3.02 0.11 -4.94 115.26 100.24 1yed n ASN 100 Ca -0.04 0.95 0.05 0.00 -0.03 0.00 0.00 54.58 55.51 1yed n ASN 100 Cb 0.61 -3.50 -0.01 0.00 -0.61 0.00 0.00 39.78 36.27 1yed n ASN 100 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1yed s TYR 100 N -1.26 -0.92 0.38 3.10 2.02 -1.26 -5.01 117.35 114.40 1yed s TYR 100 Ca -0.01 0.89 -0.24 0.00 -0.37 0.00 0.00 57.07 57.34 1yed s TYR 100 Cb 0.00 0.29 -0.10 0.00 -0.40 0.00 0.00 41.96 41.75 1yed s TYR 100 CO 0.40 -0.51 0.97 0.00 -1.57 0.00 0.00 175.55 174.83 1yed s ALA 100 N 2.92 3.11 0.09 3.71 0.00 0.12 -4.96 121.76 126.74 1yed s ALA 100 Ca 0.09 0.50 -0.34 0.00 0.00 0.00 0.00 51.96 52.22 1yed s ALA 100 Cb -0.11 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 1yed s ALA 100 CO -0.16 0.08 1.70 -0.12 0.00 0.00 0.00 175.76 177.26 1yed n MET 100 N -0.06 2.26 -2.49 0.00 1.56 -1.26 -4.03 117.12 113.10 1yed n MET 100 Ca 0.05 0.82 -0.37 0.00 -0.27 0.00 0.00 57.70 57.93 1yed n MET 100 Cb 0.52 -2.63 -0.04 0.00 2.15 0.00 0.00 33.22 33.22 1yed n MET 100 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1yed s ASP 101 N 2.07 6.77 -0.04 6.12 -4.77 -1.25 -4.71 116.67 120.86 1yed s ASP 101 Ca 0.83 2.12 0.02 0.00 -3.30 0.00 0.00 52.55 52.22 1yed s ASP 101 Cb -0.65 -2.60 0.01 0.00 -1.09 0.00 0.00 42.92 38.60 1yed s ASP 101 CO 0.42 -0.49 -0.07 -0.31 0.70 0.00 0.00 175.17 175.42 1yed s TYR 102 N -1.55 0.86 0.11 2.11 2.02 -1.08 -4.97 117.35 114.84 1yed s TYR 102 Ca 0.56 -0.24 0.08 0.00 -0.37 0.00 0.00 57.07 57.10 1yed s TYR 102 Cb -0.25 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 1yed s TYR 102 CO 0.31 -0.16 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.40 1yed s TRP 103 N 0.58 2.60 0.77 2.71 0.52 -1.26 -0.44 118.94 124.42 1yed s TRP 103 Ca -0.09 -0.23 -0.11 0.00 0.02 0.00 0.00 56.10 55.70 1yed s TRP 103 Cb -0.12 -1.38 0.06 0.00 -1.15 0.00 0.00 33.47 30.88 1yed s TRP 103 CO 0.01 0.39 1.13 0.20 0.02 0.00 0.00 176.95 178.70 1yed s GLY 104 N -2.10 1.61 0.23 0.98 0.00 0.11 -4.63 107.32 103.52 1yed s GLY 104 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 1yed s GLY 104 CO 0.11 -0.20 1.62 0.06 0.00 0.00 0.00 173.10 174.69 1yed h GLN 105 N -0.90 0.55 0.00 2.90 -0.00 -1.90 -3.44 115.11 112.33 1yed h GLN 105 Ca -0.46 -0.26 0.00 0.00 -0.00 0.00 0.00 58.65 57.93 1yed h GLN 105 Cb 1.31 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1yed h GLN 105 CO 0.65 0.84 0.00 0.41 -0.00 0.00 0.00 178.83 180.72 1yed n GLY 106 N -0.10 3.29 2.70 0.06 0.00 -1.26 -5.04 105.19 104.84 1yed n GLY 106 Ca -0.01 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 1yed n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yed s THR 107 N -2.57 0.20 -0.09 2.61 2.01 -0.74 -4.83 115.64 112.24 1yed s THR 107 Ca 0.00 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1yed s THR 107 Cb 0.00 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1yed s THR 107 CO 0.00 -0.03 1.18 -0.76 -0.69 0.00 0.00 174.62 174.32 1yed s LEU 108 N 2.02 4.25 -0.19 4.42 1.43 -1.26 -1.96 118.68 127.39 1yed s LEU 108 Ca 0.03 1.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1yed s LEU 108 Cb -0.15 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.55 1yed s LEU 108 CO -0.07 -0.60 -0.17 -0.69 0.23 0.00 0.00 176.35 175.05 1yed s VAL 109 N 2.46 1.99 -0.34 -1.59 1.01 -0.37 -1.54 120.40 122.01 1yed s VAL 109 Ca 0.54 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1yed s VAL 109 Cb -0.23 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1yed s VAL 109 CO 0.19 0.43 0.08 -0.89 0.00 0.00 0.00 175.10 174.91 1yed s THR 110 N 1.29 3.25 -0.50 3.92 2.01 0.03 -2.22 115.64 123.42 1yed s THR 110 Ca 0.03 -1.50 -0.27 0.00 0.31 0.00 0.00 61.69 60.25 1yed s THR 110 Cb -0.14 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.44 1yed s THR 110 CO -0.11 -0.28 1.05 -0.69 -0.69 0.00 0.00 174.62 173.90 1yed s VAL 111 N 1.26 4.28 0.17 3.82 1.01 -1.26 -0.95 120.40 128.73 1yed s VAL 111 Ca -0.01 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 1yed s VAL 111 Cb -0.20 -4.56 0.05 0.00 0.00 0.00 0.00 36.38 31.66 1yed s VAL 111 CO -0.01 -1.04 0.53 -0.55 0.00 0.00 0.00 175.10 174.04 1yed s SER 112 N 2.56 -0.37 -0.02 3.32 0.15 0.52 -4.64 113.70 115.22 1yed s SER 112 Ca 0.41 -0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.93 1yed s SER 112 Cb -0.09 0.57 -0.19 0.00 -1.71 0.00 0.00 66.02 64.60 1yed s SER 112 CO 0.27 -0.99 0.31 -1.54 1.20 0.00 0.00 173.24 172.49 1yed n SER 113 N -0.33 1.93 -4.59 5.45 3.41 -1.26 -3.68 113.62 114.53 1yed n SER 113 Ca -0.14 -0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.00 1yed n SER 113 Cb 0.64 1.52 0.05 0.00 -0.26 0.00 0.00 64.21 66.15 1yed n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yed n ALA 116 N -1.87 -0.03 -1.78 7.33 0.00 -1.26 -4.95 120.51 117.96 1yed n ALA 116 Ca -0.02 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1yed n ALA 116 Cb 0.32 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 1yed n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1yed s LYS 117 N -2.61 3.95 0.27 0.00 2.20 -1.26 -5.01 119.74 117.29 1yed s LYS 117 Ca 0.74 1.56 -0.29 0.00 -0.36 0.00 0.00 55.97 57.61 1yed s LYS 117 Cb -0.43 -2.40 -0.09 0.00 -1.51 0.00 0.00 37.83 33.40 1yed s LYS 117 CO 0.49 -0.34 1.03 0.99 -0.36 0.00 0.00 175.35 177.16 1yed s THR 118 N -1.70 3.74 -0.07 3.43 2.01 -1.26 -4.84 115.64 116.95 1yed s THR 118 Ca 0.62 1.72 -0.00 0.00 0.31 0.00 0.00 61.69 64.34 1yed s THR 118 Cb -0.23 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.22 1yed s THR 118 CO 0.28 0.39 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.67 1yed s THR 119 N -1.21 0.58 0.58 -0.82 2.01 0.18 -4.97 115.64 111.99 1yed s THR 119 Ca 0.44 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.20 1yed s THR 119 Cb -0.29 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 1yed s THR 119 CO 0.36 0.27 1.09 -2.84 -0.69 0.00 0.00 174.62 172.81 1yed s PRO 120 N 1.49 3.28 0.73 4.92 0.02 -1.26 -1.79 135.00 142.38 1yed s PRO 120 Ca -0.02 1.38 -0.11 0.00 0.02 0.00 0.00 61.00 62.27 1yed s PRO 120 Cb -0.13 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.40 1yed s PRO 120 CO -0.03 -0.87 1.10 -1.25 -0.33 0.00 0.00 177.00 175.62 1yed s PRO 121 N -3.74 2.62 -0.25 5.54 0.04 -1.26 -4.55 135.00 133.40 1yed s PRO 121 Ca 0.67 0.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 1yed s PRO 121 Cb -0.19 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1yed s PRO 121 CO 0.33 -1.21 -0.05 -1.12 0.04 0.00 0.00 177.00 174.98 1yed s SER 122 N -4.22 4.39 -0.11 6.66 0.01 0.04 -4.93 113.70 115.55 1yed s SER 122 Ca 0.59 -0.87 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 1yed s SER 122 Cb -0.12 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 1yed s SER 122 CO 0.52 -0.14 0.40 -0.69 0.41 0.00 0.00 173.24 173.75 1yed s VAL 123 N 1.33 5.20 -0.10 3.43 1.01 -1.26 -0.43 120.40 129.59 1yed s VAL 123 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.78 1yed s VAL 123 Cb -0.17 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.50 1yed s VAL 123 CO -0.04 0.40 -0.13 -0.31 0.00 0.00 0.00 175.10 175.02 1yed s TYR 124 N 0.20 1.76 -0.32 5.22 2.02 -0.65 -4.99 117.35 120.59 1yed s TYR 124 Ca 0.22 -0.79 -0.26 0.00 -0.37 0.00 0.00 57.07 55.87 1yed s TYR 124 Cb -0.15 -1.30 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1yed s TYR 124 CO 0.09 -0.43 0.91 -1.25 -1.57 0.00 0.00 175.55 173.29 1yed s PRO 125 N 1.01 3.98 -0.39 -1.71 0.04 -1.26 -1.68 135.00 134.99 1yed s PRO 125 Ca -0.07 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 61.59 1yed s PRO 125 Cb -0.15 -3.74 0.01 0.00 0.04 0.00 0.00 34.50 30.66 1yed s PRO 125 CO -0.01 -0.79 0.27 -0.51 0.04 0.00 0.00 177.00 176.00 1yed s LEU 126 N 3.26 4.90 0.13 -3.56 1.43 -1.05 -4.90 118.68 118.89 1yed s LEU 126 Ca 0.38 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1yed s LEU 126 Cb -0.13 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1yed s LEU 126 CO 0.14 -0.39 -0.01 0.00 0.23 0.00 0.00 176.35 176.32 1yed s ALA 127 N 1.67 3.20 1.00 4.21 0.00 -1.26 -2.91 121.76 127.67 1yed s ALA 127 Ca 0.05 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1yed s ALA 127 Cb -0.19 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1yed s ALA 127 CO 0.10 0.58 0.00 -0.35 0.00 0.00 0.00 175.76 176.09 1yed n PRO 128 N 0.24 1.49 -2.33 0.00 -0.04 -1.26 -4.97 135.00 128.13 1yed n PRO 128 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1yed n PRO 128 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1yed n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yed n GLY 129 N 3.25 -0.56 7.00 0.55 0.00 -1.26 -4.58 105.19 109.58 1yed n GLY 129 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1yed n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yed n SER 130 N 0.00 0.00 -1.31 1.61 7.64 -1.26 -1.95 113.62 118.35 1yed n SER 130 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1yed n SER 130 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1yed n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yed n ALA 131 N 11.54 3.41 -0.59 -0.43 0.00 -1.26 -4.88 120.51 128.30 1yed n ALA 131 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1yed n ALA 131 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1yed n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yed n ALA 132 N 0.99 -1.59 -2.54 0.00 0.00 -0.82 -5.04 120.51 111.51 1yed n ALA 132 Ca 0.02 0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 1yed n ALA 132 Cb 0.52 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 1yed n ALA 132 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1yed s GLN 133 N -5.09 1.24 -0.29 0.00 0.74 -1.24 -4.90 119.66 110.13 1yed s GLN 133 Ca 0.00 -0.78 -0.09 0.00 0.05 0.00 0.00 55.36 54.54 1yed s GLN 133 Cb 0.00 -1.28 0.01 0.00 1.10 0.00 0.00 33.01 32.84 1yed s GLN 133 CO 0.00 0.33 0.33 2.41 -0.55 0.00 0.00 175.29 177.81 1yed n THR 134 N 2.12 -8.82 -3.23 -0.34 -1.04 -1.26 -4.70 114.28 97.02 1yed n THR 134 Ca -0.17 0.82 -0.45 0.00 -2.04 0.00 0.00 64.05 62.21 1yed n THR 134 Cb 0.54 -6.35 -0.05 0.00 -1.82 0.00 0.00 70.33 62.65 1yed n THR 134 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1yed s ASN 135 N -1.94 6.22 0.00 8.00 4.22 -1.26 -3.67 114.94 126.51 1yed s ASN 135 Ca 0.14 -1.70 0.00 0.00 -2.14 0.00 0.00 52.86 49.16 1yed s ASN 135 Cb -0.04 -2.25 0.00 0.00 1.28 0.00 0.00 41.25 40.24 1yed s ASN 135 CO 0.56 -0.95 0.00 -0.24 -2.04 0.00 0.00 177.10 174.43 1yed n SER 136 N 5.64 0.00 -4.53 3.54 2.88 -1.26 -5.01 113.62 114.87 1yed n SER 136 Ca -0.10 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.10 1yed n SER 136 Cb 0.41 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.75 1yed n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1yed s MET 137 N 0.00 2.66 -0.04 -1.46 -1.94 -1.26 -2.91 119.30 114.36 1yed s MET 137 Ca 0.00 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1yed s MET 137 Cb 0.00 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 1yed s MET 137 CO 0.00 0.64 -0.11 0.14 -0.01 0.00 0.00 175.02 175.68 1yed s VAL 138 N -0.75 3.36 -0.12 -6.03 -7.23 0.09 -4.53 120.40 105.19 1yed s VAL 138 Ca 0.11 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 1yed s VAL 138 Cb -0.11 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 1yed s VAL 138 CO 0.01 0.53 0.02 -0.89 -0.31 0.00 0.00 175.10 174.46 1yed s THR 139 N -0.83 4.45 0.49 5.32 2.01 -1.26 -0.74 115.64 125.08 1yed s THR 139 Ca 0.13 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1yed s THR 139 Cb -0.11 -2.91 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 1yed s THR 139 CO 0.03 0.57 0.23 -0.76 -0.69 0.00 0.00 174.62 173.99 1yed s LEU 140 N -0.51 2.74 0.22 4.42 1.43 0.98 -4.80 118.68 123.17 1yed s LEU 140 Ca 0.09 -1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 51.71 1yed s LEU 140 Cb -0.12 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 44.96 1yed s LEU 140 CO 0.02 -0.85 0.60 -0.83 0.23 0.00 0.00 176.35 175.52 1yed s GLY 141 N -4.06 -0.13 -0.11 -3.19 0.00 -1.15 -2.12 107.32 96.57 1yed s GLY 141 Ca 0.29 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 1yed s GLY 141 CO 0.17 -0.16 0.25 0.00 0.00 0.00 0.00 173.10 173.36 1yed s LEU 143 N 1.17 4.03 -0.66 0.00 0.20 -0.67 -1.68 118.68 121.07 1yed s LEU 143 Ca -0.09 -1.17 -0.17 0.00 0.69 0.00 0.00 54.13 53.39 1yed s LEU 143 Cb -0.10 -1.78 0.14 0.00 -0.43 0.00 0.00 46.19 44.02 1yed s LEU 143 CO -0.08 -0.28 0.71 -0.69 -0.29 0.00 0.00 176.35 175.72 1yed s VAL 144 N 1.33 5.07 0.02 1.68 1.01 -0.04 -1.64 120.40 127.83 1yed s VAL 144 Ca -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.46 1yed s VAL 144 Cb -0.19 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.67 1yed s VAL 144 CO 0.01 -1.08 0.15 -0.75 0.00 0.00 0.00 175.10 173.42 1yed s LYS 145 N 1.90 3.26 -1.09 2.72 2.20 0.43 -1.55 119.74 127.61 1yed s LYS 145 Ca 0.13 -0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 1yed s LYS 145 Cb -0.21 -2.97 -0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1yed s LYS 145 CO 0.01 0.64 0.79 0.41 -0.36 0.00 0.00 175.35 176.84 1yed n GLY 146 N 0.80 -1.04 3.58 5.54 0.00 -0.25 -0.78 105.19 113.04 1yed n GLY 146 Ca -0.10 0.48 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 1yed n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yed s TYR 147 N -3.40 2.40 -0.29 1.61 -0.85 -0.74 -4.61 117.35 111.47 1yed s TYR 147 Ca 0.42 -0.72 -0.19 0.00 -0.52 0.00 0.00 57.07 56.06 1yed s TYR 147 Cb -0.14 -1.66 0.13 0.00 0.38 0.00 0.00 41.96 40.67 1yed s TYR 147 CO 0.85 0.36 0.96 0.12 -1.52 0.00 0.00 175.55 176.32 1yed s PHE 148 N -2.83 -0.60 0.00 -3.49 2.19 -0.74 -0.49 117.98 112.02 1yed s PHE 148 Ca 0.35 1.28 0.00 0.00 0.33 0.00 0.00 56.93 58.89 1yed s PHE 148 Cb 0.09 0.38 0.00 0.00 -1.31 0.00 0.00 43.02 42.19 1yed s PHE 148 CO 0.17 -0.29 0.00 -0.35 1.83 0.00 0.00 175.22 176.58 1yed n PRO 149 N 3.21 1.48 -2.38 10.12 -0.04 -1.26 -0.64 135.00 145.49 1yed n PRO 149 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 1yed n PRO 149 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1yed n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1yed s GLU 150 N -0.53 3.52 0.29 0.54 0.41 -1.26 -4.76 118.70 116.92 1yed s GLU 150 Ca 0.00 0.36 0.07 0.00 -0.41 0.00 0.00 54.97 55.00 1yed s GLU 150 Cb 0.00 -2.28 -0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1yed s GLU 150 CO 0.00 -0.35 0.23 -1.25 -0.49 0.00 0.00 175.26 173.40 1yed s PRO 151 N -4.90 2.79 0.20 0.39 0.04 -1.26 -4.96 135.00 127.31 1yed s PRO 151 Ca 0.50 -1.19 0.07 0.00 0.04 0.00 0.00 61.00 60.42 1yed s PRO 151 Cb -0.11 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1yed s PRO 151 CO 0.48 0.25 0.04 0.14 0.04 0.00 0.00 177.00 177.95 1yed s VAL 152 N -2.23 3.85 -0.42 -0.36 -7.23 -1.26 -4.30 120.40 108.45 1yed s VAL 152 Ca 0.37 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1yed s VAL 152 Cb -0.07 -2.98 0.11 0.00 0.56 0.00 0.00 36.38 34.00 1yed s VAL 152 CO 0.25 -0.19 0.14 -0.89 -0.31 0.00 0.00 175.10 174.10 1yed s THR 153 N -1.90 2.41 0.12 5.32 2.01 -0.47 -4.95 115.64 118.16 1yed s THR 153 Ca 0.29 -2.78 -0.24 0.00 0.31 0.00 0.00 61.69 59.27 1yed s THR 153 Cb -0.09 -2.73 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 1yed s THR 153 CO 0.20 -0.69 0.74 -0.69 -0.69 0.00 0.00 174.62 173.50 1yed s VAL 154 N 0.37 4.52 0.04 3.82 1.01 -1.26 -2.48 120.40 126.42 1yed s VAL 154 Ca 0.14 1.61 -0.20 0.00 0.00 0.00 0.00 61.98 63.53 1yed s VAL 154 Cb -0.22 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1yed s VAL 154 CO -0.05 0.48 0.45 0.28 0.00 0.00 0.00 175.10 176.26 1yed s THR 155 N -0.83 0.05 -0.13 3.92 -1.32 -0.64 -5.01 115.64 111.68 1yed s THR 155 Ca 0.35 -0.38 -0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1yed s THR 155 Cb -0.22 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 1yed s THR 155 CO 0.24 -0.21 -0.13 0.26 -2.21 0.00 0.00 174.62 172.57 1yed s TRP 156 N -2.35 2.82 -1.54 9.09 0.52 -1.26 -0.72 118.94 125.49 1yed s TRP 156 Ca -0.06 -0.62 -0.12 0.00 0.02 0.00 0.00 56.10 55.32 1yed s TRP 156 Cb -0.01 -1.84 0.09 0.00 -1.15 0.00 0.00 33.47 30.56 1yed s TRP 156 CO -0.01 -0.20 0.81 0.09 0.02 0.00 0.00 176.95 177.66 1yed n ASN 157 N 3.49 -3.26 -3.91 2.95 3.02 -0.58 -1.25 115.26 115.71 1yed n ASN 157 Ca -0.18 -0.89 -0.29 0.00 -0.03 0.00 0.00 54.58 53.18 1yed n ASN 157 Cb 0.53 -3.42 0.02 0.00 -0.61 0.00 0.00 39.78 36.30 1yed n ASN 157 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1yed n SER 158 N -2.83 -3.92 0.00 6.41 7.64 -1.26 -0.88 113.62 118.78 1yed n SER 158 Ca -0.04 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1yed n SER 158 Cb 0.56 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.99 1yed n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yed n GLY 159 N -1.66 2.40 0.40 0.23 0.00 -0.38 -4.86 105.19 101.31 1yed n GLY 159 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1yed n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yed n SER 160 N 0.00 0.70 -3.33 1.61 3.41 -0.06 -3.75 113.62 112.20 1yed n SER 160 Ca 0.00 -1.77 -0.13 0.00 -0.26 0.00 0.00 58.87 56.71 1yed n SER 160 Cb 0.00 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1yed n SER 160 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1yed s LEU 161 N -0.21 -0.41 -0.11 1.04 2.96 -1.17 -4.95 118.68 115.83 1yed s LEU 161 Ca 0.00 -1.26 0.07 0.00 -0.22 0.00 0.00 54.13 52.72 1yed s LEU 161 Cb 0.00 0.87 -0.12 0.00 0.50 0.00 0.00 46.19 47.44 1yed s LEU 161 CO 0.00 -0.26 -0.01 -1.54 -1.32 0.00 0.00 176.35 173.22 1yed n SER 162 N 4.46 2.59 -4.70 3.68 3.41 -1.25 -4.35 113.62 117.47 1yed n SER 162 Ca 0.09 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.27 1yed n SER 162 Cb 0.48 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.89 1yed n SER 162 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1yed s SER 163 N -4.55 7.18 0.00 4.04 0.15 -1.26 -3.73 113.70 115.53 1yed s SER 163 Ca -0.09 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.00 1yed s SER 163 Cb 0.03 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1yed s SER 163 CO 0.39 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1yed n GLY 164 N 3.11 0.11 3.77 9.45 0.00 -1.26 -4.81 105.19 115.57 1yed n GLY 164 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1yed n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yed s VAL 165 N -2.00 3.29 -0.04 1.61 1.01 -1.24 -3.70 120.40 119.33 1yed s VAL 165 Ca 0.00 1.00 0.02 0.00 0.00 0.00 0.00 61.98 63.00 1yed s VAL 165 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1yed s VAL 165 CO 0.00 0.02 -0.07 -1.00 0.00 0.00 0.00 175.10 174.05 1yed s HIS 166 N -1.54 0.93 -0.10 5.22 3.76 0.09 -4.97 115.29 118.69 1yed s HIS 166 Ca 0.60 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.24 1yed s HIS 166 Cb -0.27 -0.73 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1yed s HIS 166 CO 0.34 -0.17 -0.08 0.99 -0.85 0.00 0.00 174.74 174.97 1yed s THR 167 N 0.58 1.00 -0.00 1.30 2.01 -1.26 -0.89 115.64 118.38 1yed s THR 167 Ca -0.09 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 1yed s THR 167 Cb -0.12 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1yed s THR 167 CO 0.01 0.35 0.27 -0.36 -0.69 0.00 0.00 174.62 174.20 1yed s PHE 168 N 1.42 3.59 0.31 4.92 0.40 -0.80 -5.03 117.98 122.79 1yed s PHE 168 Ca -0.01 0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 56.64 1yed s PHE 168 Cb -0.13 -2.01 -0.13 0.00 0.51 0.00 0.00 43.02 41.26 1yed s PHE 168 CO -0.05 0.62 1.25 -2.30 0.70 0.00 0.00 175.22 175.44 1yed n PRO 169 N 1.21 1.93 -2.45 0.24 -0.02 -1.26 -4.20 135.00 130.46 1yed n PRO 169 Ca -0.12 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.67 1yed n PRO 169 Cb 0.53 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1yed n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yed s ALA 170 N -0.91 3.07 -0.19 3.55 0.00 -1.26 -4.79 121.76 121.23 1yed s ALA 170 Ca 0.58 0.78 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1yed s ALA 170 Cb -0.61 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.23 1yed s ALA 170 CO 0.60 -0.34 -0.18 0.54 0.00 0.00 0.00 175.76 176.38 1yed s VAL 171 N -1.61 2.00 -0.35 0.00 0.11 -0.94 -4.91 120.40 114.70 1yed s VAL 171 Ca 0.59 -1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.35 1yed s VAL 171 Cb -0.24 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 1yed s VAL 171 CO 0.30 0.43 1.90 -0.22 -3.33 0.00 0.00 175.10 174.19 1yed s LEU 172 N 1.29 3.47 0.00 2.54 2.96 -1.26 -3.66 118.68 124.01 1yed s LEU 172 Ca 0.03 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1yed s LEU 172 Cb -0.14 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1yed s LEU 172 CO -0.11 -1.89 0.00 0.00 -1.32 0.00 0.00 176.35 173.03 1yed n GLN 173 N 8.59 0.00 -2.01 1.98 6.02 -0.56 -4.81 117.38 126.60 1yed n GLN 173 Ca 0.24 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.81 1yed n GLN 173 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 1yed n GLN 173 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1yed n SER 174 N 0.00 4.22 -2.26 1.08 3.41 -1.26 -4.24 113.62 114.58 1yed n SER 174 Ca 0.00 -2.87 -0.13 0.00 -0.26 0.00 0.00 58.87 55.61 1yed n SER 174 Cb 0.00 -1.68 -0.01 0.00 -0.26 0.00 0.00 64.21 62.25 1yed n SER 174 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1yed n ASP 175 N 6.74 -3.93 -3.71 4.04 8.00 -1.26 -4.89 116.55 121.54 1yed n ASP 175 Ca 0.51 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 56.10 1yed n ASP 175 Cb 0.41 -3.39 -0.11 0.00 -0.02 0.00 0.00 41.12 38.01 1yed n ASP 175 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yed s LEU 176 N -5.31 0.09 0.65 0.64 2.96 -1.26 -4.92 118.68 111.53 1yed s LEU 176 Ca 0.00 0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 54.65 1yed s LEU 176 Cb 0.00 1.25 0.03 0.00 0.50 0.00 0.00 46.19 47.97 1yed s LEU 176 CO 0.00 -0.18 0.98 -0.31 -1.32 0.00 0.00 176.35 175.52 1yed s TYR 177 N 1.17 3.16 -0.26 5.38 2.02 0.36 -1.49 117.35 127.69 1yed s TYR 177 Ca -0.08 0.67 -0.14 0.00 -0.37 0.00 0.00 57.07 57.15 1yed s TYR 177 Cb -0.08 -2.96 0.08 0.00 -0.40 0.00 0.00 41.96 38.60 1yed s TYR 177 CO -0.10 -1.10 0.63 0.99 -1.57 0.00 0.00 175.55 174.40 1yed s THR 178 N -3.16 -0.02 0.20 -0.71 2.01 -1.24 -1.09 115.64 111.63 1yed s THR 178 Ca 0.57 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 1yed s THR 178 Cb -0.11 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1yed s THR 178 CO 0.46 0.01 0.21 -1.48 -0.69 0.00 0.00 174.62 173.14 1yed s LEU 179 N 1.61 0.99 0.20 4.42 0.05 -0.59 -2.21 118.68 123.15 1yed s LEU 179 Ca -0.10 -1.25 -0.11 0.00 0.05 0.00 0.00 54.13 52.72 1yed s LEU 179 Cb -0.06 0.73 -0.00 0.00 -2.05 0.00 0.00 46.19 44.81 1yed s LEU 179 CO -0.18 -0.90 0.38 -0.94 -0.55 0.00 0.00 176.35 174.15 1yed s SER 180 N -3.11 -0.04 -0.01 1.48 1.04 -1.26 -0.86 113.70 110.94 1yed s SER 180 Ca 0.33 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.75 1yed s SER 180 Cb 0.05 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1yed s SER 180 CO 0.10 -1.00 0.28 -0.94 0.98 0.00 0.00 173.24 172.66 1yed s SER 181 N -2.99 -0.15 0.17 7.02 1.04 -0.67 -1.90 113.70 116.23 1yed s SER 181 Ca 0.19 0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.75 1yed s SER 181 Cb 0.01 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1yed s SER 181 CO 0.04 -0.44 -0.21 -0.94 0.98 0.00 0.00 173.24 172.66 1yed s SER 182 N -1.37 3.03 -0.08 7.02 1.04 -0.07 -0.78 113.70 122.50 1yed s SER 182 Ca -0.14 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.41 1yed s SER 182 Cb -0.05 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.91 1yed s SER 182 CO 0.04 0.05 0.16 0.54 0.98 0.00 0.00 173.24 175.00 1yed s VAL 183 N -1.80 -0.22 -0.36 5.02 0.11 -0.90 -0.73 120.40 121.52 1yed s VAL 183 Ca 0.17 0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 59.43 1yed s VAL 183 Cb -0.07 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 1yed s VAL 183 CO 0.08 0.14 0.24 -0.89 -3.33 0.00 0.00 175.10 171.33 1yed s THR 184 N 2.10 5.03 0.08 5.04 2.01 -1.24 -0.01 115.64 128.65 1yed s THR 184 Ca 0.01 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.62 1yed s THR 184 Cb -0.12 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1yed s THR 184 CO -0.06 -0.12 -0.24 0.68 -0.69 0.00 0.00 174.62 174.19 1yed s VAL 185 N 1.66 2.39 0.92 3.82 -7.23 0.08 -4.83 120.40 117.21 1yed s VAL 185 Ca 0.05 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 58.62 1yed s VAL 185 Cb -0.18 -2.01 0.15 0.00 0.56 0.00 0.00 36.38 34.90 1yed s VAL 185 CO 0.09 0.23 1.13 -2.16 -0.31 0.00 0.00 175.10 174.09 1yed s PRO 186 N -1.67 0.99 0.28 4.82 0.04 -1.26 -0.73 135.00 137.46 1yed s PRO 186 Ca 0.14 1.47 0.24 0.00 0.04 0.00 0.00 61.00 62.89 1yed s PRO 186 Cb -0.10 -1.73 1.02 0.00 0.04 0.00 0.00 34.50 33.73 1yed s PRO 186 CO 0.05 -2.63 1.74 0.66 0.04 0.00 0.00 177.00 176.86 1yed h SER 187 N -1.86 0.00 -0.17 6.66 4.64 -1.88 -3.16 113.55 117.77 1yed h SER 187 Ca -0.44 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.91 1yed h SER 187 Cb 1.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1yed h SER 187 CO 0.43 0.00 -0.05 0.28 -0.87 0.00 0.00 176.83 176.62 1yed h SER 188 N 0.00 -0.19 -0.33 4.97 0.02 -1.90 -2.97 113.55 113.15 1yed h SER 188 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1yed h SER 188 Cb 0.38 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1yed h SER 188 CO 0.00 -0.07 0.00 -0.81 -1.14 0.00 0.00 176.83 174.81 1yed n PRO 189 N -5.20 2.10 0.04 3.45 -0.04 -1.20 -4.60 135.00 129.55 1yed n PRO 189 Ca -0.03 -1.67 -0.02 0.00 -0.04 0.00 0.00 63.50 61.74 1yed n PRO 189 Cb 0.12 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 1yed n PRO 189 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1yed h ARG 190 N 3.13 -0.13 0.13 0.54 9.65 -1.58 -3.35 114.38 122.77 1yed h ARG 190 Ca 0.00 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 1yed h ARG 190 Cb 0.70 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.26 1yed h ARG 190 CO 0.00 -0.09 -0.36 -1.35 2.80 0.00 0.00 179.97 180.97 1yed h PRO 191 N -0.42 -0.58 -5.89 0.20 0.11 -1.83 -3.41 132.00 120.18 1yed h PRO 191 Ca -0.01 0.04 -0.68 0.00 0.11 0.00 0.00 66.00 65.46 1yed h PRO 191 Cb 0.10 0.13 -0.13 0.00 0.11 0.00 0.00 31.00 31.22 1yed h PRO 191 CO 0.02 -0.39 -0.59 -1.54 -0.21 0.00 0.00 178.00 175.30 1yed s SER 192 N -4.74 5.52 0.00 -2.05 1.04 -1.26 -4.91 113.70 107.30 1yed s SER 192 Ca -0.16 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1yed s SER 192 Cb 0.08 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1yed s SER 192 CO 0.64 0.39 0.00 -0.62 0.98 0.00 0.00 173.24 174.63 1yed n GLU 193 N 2.10 0.00 -1.84 4.02 1.02 -1.26 -4.34 120.64 120.34 1yed n GLU 193 Ca -0.19 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.56 1yed n GLU 193 Cb 0.54 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.99 1yed n GLU 193 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1yed s THR 194 N 0.00 2.18 -0.07 2.62 2.01 -1.26 -4.58 115.64 116.54 1yed s THR 194 Ca 0.00 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.14 1yed s THR 194 Cb 0.00 -3.08 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1yed s THR 194 CO 0.00 0.01 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.21 1yed s VAL 195 N -1.28 0.61 -0.08 3.82 1.01 -1.26 -5.03 120.40 118.19 1yed s VAL 195 Ca 0.66 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1yed s VAL 195 Cb -0.41 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1yed s VAL 195 CO 0.50 0.27 -0.10 -0.89 0.00 0.00 0.00 175.10 174.89 1yed s THR 196 N 1.44 1.05 -0.28 3.92 2.01 -1.26 -1.10 115.64 121.42 1yed s THR 196 Ca -0.02 -0.37 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1yed s THR 196 Cb -0.13 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1yed s THR 196 CO -0.03 0.35 0.73 0.00 -0.69 0.00 0.00 174.62 174.98 1yed s ASN 198 N 1.52 4.69 -0.09 0.00 0.02 0.10 -1.11 114.94 120.07 1yed s ASN 198 Ca 0.30 -0.95 0.01 0.00 -1.02 0.00 0.00 52.86 51.20 1yed s ASN 198 Cb -0.15 -1.73 -0.02 0.00 0.02 0.00 0.00 41.25 39.36 1yed s ASN 198 CO 0.10 -0.19 -0.12 0.68 0.02 0.00 0.00 177.10 177.60 1yed s VAL 199 N 1.35 3.24 -0.08 1.60 -7.23 -0.71 -1.62 120.40 116.95 1yed s VAL 199 Ca -0.01 -0.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.57 1yed s VAL 199 Cb -0.18 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1yed s VAL 199 CO -0.02 0.56 -0.20 0.00 -0.31 0.00 0.00 175.10 175.13 1yed s ALA 200 N -0.31 1.88 -0.61 1.32 0.00 -1.04 -1.19 121.76 121.81 1yed s ALA 200 Ca 0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 1yed s ALA 200 Cb -0.13 -0.71 0.16 0.00 0.00 0.00 0.00 23.12 22.44 1yed s ALA 200 CO 0.03 0.26 0.44 -1.58 0.00 0.00 0.00 175.76 174.90 1yed s HIS 201 N 0.35 3.47 0.14 0.00 2.46 0.22 -1.37 115.29 120.55 1yed s HIS 201 Ca -0.15 -2.56 -0.32 0.00 0.47 0.00 0.00 55.06 52.50 1yed s HIS 201 Cb -0.16 -3.29 -0.09 0.00 -0.13 0.00 0.00 32.58 28.90 1yed s HIS 201 CO 0.07 -0.88 1.55 -1.35 -2.47 0.00 0.00 174.74 171.65 1yed h PRO 202 N 7.31 -0.24 0.00 2.88 0.11 -1.82 -1.56 132.00 138.68 1yed h PRO 202 Ca -0.03 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1yed h PRO 202 Cb 0.98 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1yed h PRO 202 CO 0.73 -0.16 0.27 0.00 -0.21 0.00 0.00 178.00 178.63 1yed n ALA 203 N -3.15 0.58 -1.67 -0.75 0.00 -1.26 -1.51 120.51 112.74 1yed n ALA 203 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.51 1yed n ALA 203 Cb 0.31 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 19.14 1yed n ALA 203 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yed n SER 204 N -1.67 0.65 -4.30 0.00 3.41 -0.64 -4.97 113.62 106.09 1yed n SER 204 Ca -0.00 -2.24 -0.37 0.00 -0.26 0.00 0.00 58.87 56.00 1yed n SER 204 Cb 0.28 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1yed n SER 204 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yed n SER 205 N -0.38 -2.05 -4.57 4.04 7.64 -0.57 -4.93 113.62 112.79 1yed n SER 205 Ca 0.04 -1.11 -0.30 0.00 1.01 0.00 0.00 58.87 58.50 1yed n SER 205 Cb 0.67 -2.31 -0.10 0.00 -1.01 0.00 0.00 64.21 61.45 1yed n SER 205 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1yed s THR 206 N -3.48 3.40 -0.06 0.44 2.01 -1.05 -4.99 115.64 111.91 1yed s THR 206 Ca 0.61 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1yed s THR 206 Cb -0.34 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 69.66 1yed s THR 206 CO 0.96 0.21 0.11 -0.75 -0.69 0.00 0.00 174.62 174.47 1yed s LYS 207 N -1.92 0.04 -0.07 4.92 2.47 -1.26 -0.61 119.74 123.31 1yed s LYS 207 Ca 0.20 0.36 0.03 0.00 -1.56 0.00 0.00 55.97 54.99 1yed s LYS 207 Cb -0.11 -0.24 0.01 0.00 -1.46 0.00 0.00 37.83 36.03 1yed s LYS 207 CO 0.11 -0.20 -0.14 0.08 0.16 0.00 0.00 175.35 175.36 1yed s VAL 208 N 1.42 1.27 -0.27 4.02 1.01 -0.33 -5.02 120.40 122.51 1yed s VAL 208 Ca -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1yed s VAL 208 Cb -0.12 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.17 1yed s VAL 208 CO -0.05 0.38 -0.07 -1.81 0.00 0.00 0.00 175.10 173.55 1yed s ASP 209 N 0.58 4.52 -0.37 3.32 1.01 -1.26 -1.74 116.67 122.73 1yed s ASP 209 Ca -0.15 -1.27 -0.05 0.00 0.71 0.00 0.00 52.55 51.79 1yed s ASP 209 Cb -0.16 -1.61 0.07 0.00 1.01 0.00 0.00 42.92 42.23 1yed s ASP 209 CO 0.04 -0.20 0.15 -0.54 0.21 0.00 0.00 175.17 174.83 1yed s LYS 210 N 1.18 2.43 -0.21 8.23 3.01 -0.27 -4.94 119.74 129.17 1yed s LYS 210 Ca -0.06 -1.42 -0.29 0.00 -1.01 0.00 0.00 55.97 53.18 1yed s LYS 210 Cb -0.19 -3.51 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 1yed s LYS 210 CO -0.04 -0.83 1.66 0.15 0.51 0.00 0.00 175.35 176.80 1yed s LYS 211 N 1.31 3.78 -0.31 1.68 1.02 -1.26 -1.64 119.74 124.31 1yed s LYS 211 Ca 0.01 1.71 -0.29 0.00 0.02 0.00 0.00 55.97 57.43 1yed s LYS 211 Cb -0.21 -4.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.03 1yed s LYS 211 CO 0.00 -1.32 1.66 0.42 -0.92 0.00 0.00 175.35 175.19 1yed s ILE 212 N 5.32 3.63 0.10 2.17 1.01 -0.25 -4.98 121.20 128.20 1yed s ILE 212 Ca 0.73 0.67 0.06 0.00 0.00 0.00 0.00 60.65 62.11 1yed s ILE 212 Cb -0.26 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1yed s ILE 212 CO 0.30 -0.44 -0.05 -0.69 0.00 0.00 0.00 174.94 174.06 1yed s VAL 213 N 6.03 3.69 0.87 2.92 1.01 -1.26 -4.72 120.40 128.94 1yed s VAL 213 Ca 0.73 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1yed s VAL 213 Cb -0.22 -2.75 0.22 0.00 0.00 0.00 0.00 36.38 33.63 1yed s VAL 213 CO 0.32 0.09 0.70 -0.81 0.00 0.00 0.00 175.10 175.40 1yed n PRO 214 N 0.56 -2.83 -3.69 2.72 -0.04 -1.26 -4.53 135.00 125.92 1yed n PRO 214 Ca -0.12 -1.13 -0.37 0.00 -0.04 0.00 0.00 63.50 61.84 1yed n PRO 214 Cb 0.52 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.73 1yed n PRO 214 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1yed s ARG 215 N -4.60 3.85 -0.60 0.54 0.52 -1.26 -5.03 118.95 112.37 1yed s ARG 215 Ca 0.47 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 55.27 1yed s ARG 215 Cb -0.05 -3.49 0.15 0.00 0.52 0.00 0.00 34.95 32.08 1yed s ARG 215 CO 0.37 -0.13 0.41 -0.51 0.02 0.00 0.00 175.30 175.47 1yed s ASP 216 N 1.53 5.30 0.00 0.23 1.01 -1.26 -5.11 116.67 118.37 1yed s ASP 216 Ca 0.06 -2.71 0.00 0.00 0.71 0.00 0.00 52.55 50.61 1yed s ASP 216 Cb -0.15 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 41.91 1yed s ASP 216 CO 0.07 -0.41 0.00 0.00 0.21 0.00 0.00 175.17 175.04