#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wri n ARG 3 N 0.00 0.00 0.00 1.61 -4.01 -1.26 -4.59 116.66 108.41 2wri n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wri n ARG 3 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2wri n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 2wri n TYR 4 N 0.00 0.00 0.00 2.89 9.36 -1.26 -4.95 117.16 123.20 2wri n TYR 4 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wri n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2wri n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2wri n ILE 5 N 0.00 -0.47 0.00 2.97 5.41 -1.26 -5.13 119.36 120.88 2wri n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wri n ILE 5 Cb 0.00 -0.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 2wri n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wri n GLY 6 N 0.78 1.69 2.57 7.39 0.00 -1.26 -5.04 105.19 111.33 2wri n GLY 6 Ca 0.00 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 2wri n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wri n PRO 7 N -0.24 0.00 0.00 1.61 -0.02 -1.26 -4.90 135.00 130.19 2wri n PRO 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wri n PRO 7 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2wri n PRO 7 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2wri n VAL 8 N 0.72 0.00 -0.73 -1.45 0.24 -1.26 -4.70 118.33 111.14 2wri n VAL 8 Ca 0.14 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.23 2wri n VAL 8 Cb 0.10 -1.27 -0.02 0.00 -1.47 0.00 0.00 33.84 31.18 2wri n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wri n ARG 10 N 4.05 0.00 -0.02 0.00 0.63 -1.26 -4.70 116.66 115.36 2wri n ARG 10 Ca 0.43 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 57.19 2wri n ARG 10 Cb 0.17 -0.20 -0.09 0.00 0.45 0.00 0.00 32.46 32.79 2wri n ARG 10 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2wri h LEU 11 N 0.00 0.73 -0.90 6.15 3.38 0.38 -1.44 115.31 123.62 2wri h LEU 11 Ca 0.00 -0.66 0.24 0.00 0.09 0.00 0.00 57.88 57.55 2wri h LEU 11 Cb 0.00 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 40.36 2wri h LEU 11 CO 0.00 1.28 -0.01 0.00 0.09 0.00 0.00 178.44 179.80 2wri n ARG 13 N -5.33 0.00 0.00 0.00 1.74 -0.59 -3.12 116.66 109.37 2wri n ARG 13 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2wri n ARG 13 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 2wri n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wri n ARG 14 N 0.00 0.00 0.32 5.56 3.00 -0.95 0.33 116.66 124.93 2wri n ARG 14 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 2wri n ARG 14 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 32.46 33.20 2wri n ARG 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2wri h GLU 15 N 0.00 0.00 -2.28 -0.14 4.57 -1.77 -3.43 114.58 111.53 2wri h GLU 15 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 2wri h GLU 15 Cb 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 2wri h GLU 15 CO 0.00 0.00 -0.29 0.41 -1.18 0.00 0.00 179.01 177.95 2wri n GLY 16 N -1.24 0.58 2.45 1.92 0.00 1.00 -4.82 105.19 105.09 2wri n GLY 16 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2wri n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wri n VAL 17 N -2.50 1.86 -0.81 1.61 0.31 -1.25 -5.04 118.33 112.51 2wri n VAL 17 Ca -0.14 -3.61 0.00 0.00 -0.01 0.00 0.00 64.34 60.57 2wri n VAL 17 Cb 0.51 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2wri n VAL 17 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2wri n LYS 18 N -0.61 0.00 -4.20 5.55 4.81 -1.18 -5.02 118.16 117.51 2wri n LYS 18 Ca 0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.55 2wri n LYS 18 Cb 0.87 -0.27 -0.11 0.00 0.02 0.00 0.00 35.03 35.54 2wri n LYS 18 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wri s LEU 19 N -0.46 2.45 -0.89 3.14 1.02 -1.26 -5.04 118.68 117.64 2wri s LEU 19 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.13 53.27 2wri s LEU 19 Cb 0.00 -0.30 0.31 0.00 0.02 0.00 0.00 46.19 46.22 2wri s LEU 19 CO 0.00 -0.30 1.37 -1.22 0.02 0.00 0.00 176.35 176.22 2wri n TYR 20 N 0.29 2.98 0.10 0.29 4.02 -1.26 -4.72 117.16 118.86 2wri n TYR 20 Ca -0.14 -3.11 -0.06 0.00 -0.01 0.00 0.00 57.90 54.58 2wri n TYR 20 Cb 0.59 -0.97 0.06 0.00 -0.02 0.00 0.00 39.34 39.00 2wri n TYR 20 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2wri h LEU 21 N 4.38 0.17 0.12 7.72 3.38 -1.94 -3.28 115.31 125.85 2wri h LEU 21 Ca 0.29 -0.12 -0.34 0.00 0.09 0.00 0.00 57.88 57.80 2wri h LEU 21 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2wri h LEU 21 CO 1.11 0.85 -1.85 0.11 0.09 0.00 0.00 178.44 178.75 2wri h LYS 22 N 0.09 0.25 0.00 1.13 1.57 -1.94 -3.39 116.57 114.28 2wri h LYS 22 Ca -0.02 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2wri h LYS 22 Cb 1.32 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2wri h LYS 22 CO 0.11 1.12 0.00 0.41 -0.57 0.00 0.00 179.45 180.52 2wri n GLY 23 N 1.87 0.76 0.00 3.86 0.00 -1.24 -4.28 105.19 106.16 2wri n GLY 23 Ca -0.26 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2wri n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wri n GLU 24 N 0.00 0.00 -0.16 1.61 0.00 -1.26 -3.67 120.64 117.16 2wri n GLU 24 Ca 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 57.16 57.68 2wri n GLU 24 Cb 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 31.44 30.02 2wri n GLU 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2wri h ARG 25 N 0.00 -0.17 -0.95 5.31 2.43 -1.96 0.25 114.38 119.30 2wri h ARG 25 Ca 0.00 0.01 0.28 0.00 -0.81 0.00 0.00 59.98 59.46 2wri h ARG 25 Cb 0.00 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2wri h ARG 25 CO 0.00 -0.11 1.10 0.00 -1.51 0.00 0.00 179.97 179.45 2wri h TYR 27 N 0.00 0.88 -3.32 0.00 0.99 -1.01 -3.29 116.97 111.23 2wri h TYR 27 Ca 0.45 -0.50 -0.43 0.00 2.00 0.00 0.00 58.73 60.25 2wri h TYR 27 Cb 2.64 -0.09 0.20 0.00 1.00 0.00 0.00 36.73 40.48 2wri h TYR 27 CO 0.00 1.34 0.02 -1.12 -0.00 0.00 0.00 178.16 178.40 2wri s SER 28 N -7.25 0.86 -1.18 3.88 0.01 0.48 -4.79 113.70 105.70 2wri s SER 28 Ca -0.08 1.28 -0.21 0.00 1.31 0.00 0.00 55.95 58.25 2wri s SER 28 Cb 0.07 -1.98 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 2wri s SER 28 CO 0.91 -4.24 1.89 -0.81 0.41 0.00 0.00 173.24 171.40 2wri n PRO 29 N -4.92 2.01 0.00 12.44 -0.04 -1.26 -3.61 135.00 139.61 2wri n PRO 29 Ca 0.05 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 2wri n PRO 29 Cb 0.56 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 2wri n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2wri n LYS 30 N 8.12 0.00 0.00 0.54 2.85 -1.26 -4.93 118.16 123.48 2wri n LYS 30 Ca 0.47 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.73 2wri n LYS 30 Cb 0.46 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.84 2wri n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wri n ALA 32 N -0.71 0.00 0.18 0.00 0.00 -1.26 -4.61 120.51 114.11 2wri n ALA 32 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2wri n ALA 32 Cb 0.00 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.04 2wri n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2wri h MET 33 N 0.00 0.00 -0.00 0.00 1.85 -1.83 0.31 114.93 115.26 2wri h MET 33 Ca 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.97 2wri h MET 33 Cb 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 2wri h MET 33 CO 0.00 0.00 -0.57 1.49 -0.40 0.00 0.00 176.91 177.43 2wri h GLU 34 N 0.00 0.00 0.00 0.39 4.57 -1.86 -2.83 114.58 114.86 2wri h GLU 34 Ca 0.00 -0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 2wri h GLU 34 Cb 0.14 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 2wri h GLU 34 CO 0.00 0.58 -2.31 0.54 -1.18 0.00 0.00 179.01 176.63 2wri n ARG 35 N -3.86 0.58 -3.48 1.92 1.74 0.97 -4.76 116.66 109.76 2wri n ARG 35 Ca -0.01 0.13 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 2wri n ARG 35 Cb 0.58 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 2wri n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wri n ARG 36 N -3.19 1.44 -0.64 5.56 1.74 -0.47 -5.02 116.66 116.09 2wri n ARG 36 Ca -0.41 -3.98 -0.23 0.00 -0.77 0.00 0.00 57.85 52.47 2wri n ARG 36 Cb 0.93 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 2wri n ARG 36 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2wri n PRO 37 N 1.67 1.38 -3.51 5.56 -0.02 -1.07 -4.44 135.00 134.57 2wri n PRO 37 Ca 0.25 -1.29 -0.17 0.00 -2.02 0.00 0.00 63.50 60.28 2wri n PRO 37 Cb 0.44 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 2wri n PRO 37 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2wri s TYR 38 N 4.30 -0.62 0.30 6.00 -0.85 -1.26 -5.03 117.35 120.20 2wri s TYR 38 Ca 0.36 0.93 -0.26 0.00 -0.52 0.00 0.00 57.07 57.58 2wri s TYR 38 Cb 0.09 0.43 -0.15 0.00 0.38 0.00 0.00 41.96 42.71 2wri s TYR 38 CO 0.03 -0.65 0.63 -2.30 -1.52 0.00 0.00 175.55 171.73 2wri n PRO 39 N 0.65 0.53 0.00 -3.49 -0.02 -1.26 -4.40 135.00 127.01 2wri n PRO 39 Ca -0.19 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2wri n PRO 39 Cb 0.59 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 2wri n PRO 39 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wri n PRO 40 N 0.84 2.56 -1.12 0.52 -0.04 -1.26 -4.30 135.00 132.20 2wri n PRO 40 Ca 0.13 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.74 2wri n PRO 40 Cb 0.32 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.74 2wri n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wri n GLY 41 N 1.43 -2.03 0.17 0.55 0.00 -1.26 -3.15 105.19 100.91 2wri n GLY 41 Ca 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 2wri n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wri h GLN 42 N -1.05 0.52 0.17 1.61 4.15 -2.05 -3.35 115.11 115.11 2wri h GLN 42 Ca -0.01 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 2wri h GLN 42 Cb 1.03 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2wri h GLN 42 CO 0.02 0.68 -0.08 0.45 -1.93 0.00 0.00 178.83 177.97 2wri h HIS 43 N 0.31 -0.21 0.00 3.99 -0.00 -1.94 -3.44 115.15 113.85 2wri h HIS 43 Ca 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2wri h HIS 43 Cb 0.45 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 2wri h HIS 43 CO 0.04 -0.13 0.00 0.41 -0.00 0.00 0.00 177.93 178.24 2wri n GLY 44 N 1.05 0.00 2.70 2.45 0.00 -1.19 -3.88 105.19 106.32 2wri n GLY 44 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2wri n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wri n GLN 45 N 0.00 2.84 -3.94 1.61 10.64 -1.26 -4.57 117.38 122.69 2wri n GLN 45 Ca 0.00 -2.47 -0.09 0.00 -1.83 0.00 0.00 57.00 52.61 2wri n GLN 45 Cb 0.00 -3.18 -0.09 0.00 -0.86 0.00 0.00 30.24 26.10 2wri n GLN 45 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wri s LYS 46 N 3.21 0.61 -0.41 2.61 1.02 -1.25 -5.09 119.74 120.45 2wri s LYS 46 Ca 0.51 -0.83 -0.41 0.00 0.02 0.00 0.00 55.97 55.26 2wri s LYS 46 Cb 0.14 0.24 -0.16 0.00 -0.52 0.00 0.00 37.83 37.53 2wri s LYS 46 CO -0.07 -0.15 2.00 -2.13 -0.92 0.00 0.00 175.35 174.08 2wri n ARG 47 N 0.62 0.58 -2.81 1.68 0.63 -1.26 -4.86 116.66 111.24 2wri n ARG 47 Ca -0.18 0.18 -0.43 0.00 -0.92 0.00 0.00 57.85 56.51 2wri n ARG 47 Cb 0.59 -1.93 -0.04 0.00 0.45 0.00 0.00 32.46 31.53 2wri n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wri s ALA 48 N 5.51 3.36 0.75 5.13 0.00 -1.26 -5.02 121.76 130.24 2wri s ALA 48 Ca 1.10 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 2wri s ALA 48 Cb -1.21 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 18.31 2wri s ALA 48 CO 0.63 -1.73 0.44 0.54 0.00 0.00 0.00 175.76 175.64 2wri n ARG 49 N 6.88 0.20 -1.91 0.00 5.12 -1.26 -4.84 116.66 120.85 2wri n ARG 49 Ca 0.07 0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.68 2wri n ARG 49 Cb 0.48 -1.77 -0.02 0.00 -1.16 0.00 0.00 32.46 30.00 2wri n ARG 49 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2wri s ARG 50 N -2.77 4.20 0.44 5.56 3.00 -1.26 -4.96 118.95 123.16 2wri s ARG 50 Ca 0.63 2.43 -0.23 0.00 -1.00 0.00 0.00 55.73 57.56 2wri s ARG 50 Cb -0.33 -3.06 -0.08 0.00 0.00 0.00 0.00 34.95 31.48 2wri s ARG 50 CO 0.60 -0.50 1.14 -2.14 0.00 0.00 0.00 175.30 174.41 2wri s PRO 51 N -0.74 3.89 0.56 5.12 0.02 -1.26 -5.03 135.00 137.56 2wri s PRO 51 Ca 0.59 1.72 -0.15 0.00 0.02 0.00 0.00 61.00 63.17 2wri s PRO 51 Cb -0.44 -2.47 -0.06 0.00 0.02 0.00 0.00 34.50 31.55 2wri s PRO 51 CO 0.48 -0.42 1.02 -1.54 -0.33 0.00 0.00 177.00 176.21 2wri s SER 52 N -1.38 6.24 0.45 2.53 1.04 -1.26 -4.87 113.70 116.44 2wri s SER 52 Ca 0.61 1.64 0.25 0.00 0.48 0.00 0.00 55.95 58.94 2wri s SER 52 Cb -0.27 -2.51 1.28 0.00 0.10 0.00 0.00 66.02 64.61 2wri s SER 52 CO 0.33 -0.85 1.77 0.44 0.98 0.00 0.00 173.24 175.91 2wri h ASP 53 N 0.56 0.28 0.30 7.02 5.19 -2.01 -1.90 116.42 125.86 2wri h ASP 53 Ca -0.46 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2wri h ASP 53 Cb 1.20 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2wri h ASP 53 CO 0.60 0.04 -0.15 0.22 -3.12 0.00 0.00 179.24 176.83 2wri h TYR 54 N 0.24 -0.38 -0.78 4.55 3.20 -2.01 -3.30 116.97 118.49 2wri h TYR 54 Ca 0.60 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.61 2wri h TYR 54 Cb 1.83 0.13 -0.14 0.00 1.54 0.00 0.00 36.73 40.08 2wri h TYR 54 CO -0.00 -0.24 -0.22 0.00 -1.64 0.00 0.00 178.16 176.07 2wri n ALA 55 N -2.67 0.13 -0.03 1.82 0.00 -0.76 -0.96 120.51 118.05 2wri n ALA 55 Ca -0.05 0.84 -0.06 0.00 0.00 0.00 0.00 53.44 54.16 2wri n ALA 55 Cb 0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 2wri n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wri h VAL 56 N 0.00 0.00 -0.94 0.00 2.07 -1.54 0.34 116.25 116.18 2wri h VAL 56 Ca 0.35 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.95 2wri h VAL 56 Cb 0.55 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 2wri h VAL 56 CO -0.80 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.43 2wri h ARG 57 N -0.23 0.99 -0.22 1.57 -0.00 -1.13 -1.73 114.38 113.64 2wri h ARG 57 Ca 0.02 -0.06 0.03 0.00 -0.50 0.00 0.00 59.98 59.47 2wri h ARG 57 Cb 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 29.97 30.00 2wri h ARG 57 CO -0.22 0.66 0.04 1.25 0.00 0.00 0.00 179.97 181.69 2wri h LEU 58 N 1.02 -0.00 -1.23 3.04 6.46 -0.33 -1.66 115.31 122.61 2wri h LEU 58 Ca 0.42 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.21 2wri h LEU 58 Cb 0.29 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 2wri h LEU 58 CO -0.18 0.03 0.38 0.03 -0.62 0.00 0.00 178.44 178.09 2wri h ARG 59 N 0.12 0.91 0.00 1.25 2.47 -0.35 -0.11 114.38 118.67 2wri h ARG 59 Ca 0.10 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 2wri h ARG 59 Cb 0.10 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 2wri h ARG 59 CO -0.14 0.65 -0.22 1.49 0.56 0.00 0.00 179.97 182.31 2wri h GLU 60 N 0.92 0.00 0.11 0.04 4.57 -0.74 0.12 114.58 119.61 2wri h GLU 60 Ca 0.24 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2wri h GLU 60 Cb -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2wri h GLU 60 CO -0.04 0.22 -0.05 -0.22 -1.18 0.00 0.00 179.01 177.74 2wri h LYS 61 N 0.00 -0.14 -1.03 1.92 3.64 -0.36 -2.51 116.57 118.08 2wri h LYS 61 Ca -0.00 0.01 0.30 0.00 -1.27 0.00 0.00 60.65 59.69 2wri h LYS 61 Cb 0.71 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 2wri h LYS 61 CO 0.03 0.09 0.74 1.96 -2.27 0.00 0.00 179.45 180.00 2wri h GLN 62 N -1.01 0.00 0.26 1.90 1.08 -0.96 0.35 115.11 116.73 2wri h GLN 62 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2wri h GLN 62 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2wri h GLN 62 CO 0.03 0.00 -0.12 -0.22 -0.95 0.00 0.00 178.83 177.56 2wri h LYS 63 N 0.00 -0.33 -0.76 1.46 3.64 -0.99 -1.18 116.57 118.41 2wri h LYS 63 Ca 0.49 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 60.03 2wri h LYS 63 Cb 1.97 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 33.78 2wri h LYS 63 CO -0.01 -0.22 0.34 1.25 -2.27 0.00 0.00 179.45 178.54 2wri h LEU 64 N -0.52 0.36 -0.81 5.20 5.85 -0.54 -1.46 115.31 123.40 2wri h LEU 64 Ca -0.04 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2wri h LEU 64 Cb 0.26 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2wri h LEU 64 CO 0.06 0.16 -0.49 -0.09 -0.34 0.00 0.00 178.44 177.73 2wri h ARG 65 N 0.51 0.25 0.00 1.25 2.43 -0.48 -3.05 114.38 115.29 2wri h ARG 65 Ca 0.41 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2wri h ARG 65 Cb 0.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2wri h ARG 65 CO -0.37 0.69 -0.31 0.00 -1.51 0.00 0.00 179.97 178.47 2wri h ARG 66 N 0.20 0.00 0.32 0.20 3.08 -0.17 -1.37 114.38 116.65 2wri h ARG 66 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2wri h ARG 66 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2wri h ARG 66 CO 0.08 0.31 -0.16 0.82 -1.07 0.00 0.00 179.97 179.95 2wri h ILE 67 N 0.00 0.69 -0.09 2.04 2.04 -1.30 -2.44 117.51 118.45 2wri h ILE 67 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2wri h ILE 67 Cb 0.78 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2wri h ILE 67 CO 0.04 0.01 0.00 -1.22 0.00 0.00 0.00 178.15 176.98 2wri n TYR 68 N -5.27 0.11 -2.89 1.37 4.02 -1.18 -4.97 117.16 108.35 2wri n TYR 68 Ca -0.10 -0.05 -0.08 0.00 -0.01 0.00 0.00 57.90 57.66 2wri n TYR 68 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 2wri n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wri n GLY 69 N 1.03 0.04 3.38 2.72 0.00 -0.52 -4.98 105.19 106.85 2wri n GLY 69 Ca 0.16 0.22 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 2wri n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wri s ILE 70 N -0.94 -0.86 0.02 -0.61 2.07 -1.21 -4.95 121.20 114.72 2wri s ILE 70 Ca 0.07 0.04 -0.13 0.00 -1.41 0.00 0.00 60.65 59.23 2wri s ILE 70 Cb -0.01 -0.88 -0.07 0.00 0.13 0.00 0.00 42.46 41.63 2wri s ILE 70 CO 0.17 0.01 0.33 -1.54 -1.91 0.00 0.00 174.94 172.00 2wri n SER 71 N 5.42 -0.11 -0.34 4.50 3.41 -1.26 -4.25 113.62 120.99 2wri n SER 71 Ca -0.08 0.41 0.20 0.00 -0.26 0.00 0.00 58.87 59.13 2wri n SER 71 Cb 0.50 -0.33 0.43 0.00 -0.26 0.00 0.00 64.21 64.54 2wri n SER 71 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2wri h GLU 72 N 0.89 0.50 0.05 4.33 4.57 -1.98 0.18 114.58 123.12 2wri h GLU 72 Ca -0.16 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2wri h GLU 72 Cb 0.51 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2wri h GLU 72 CO 0.22 0.33 -0.14 -0.09 -1.18 0.00 0.00 179.01 178.16 2wri h ARG 73 N 0.51 -0.20 -0.80 1.92 9.65 -2.00 0.27 114.38 123.74 2wri h ARG 73 Ca 0.63 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.65 2wri h ARG 73 Cb 1.34 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.88 2wri h ARG 73 CO -0.42 -0.13 0.41 1.96 2.80 0.00 0.00 179.97 184.59 2wri h GLN 74 N -0.21 0.63 -0.77 0.20 4.20 -1.44 -1.41 115.11 116.31 2wri h GLN 74 Ca -0.00 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.75 2wri h GLN 74 Cb 0.20 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 27.77 2wri h GLN 74 CO -0.06 0.42 0.44 0.35 -0.67 0.00 0.00 178.83 179.30 2wri h PHE 75 N 0.65 0.79 -0.24 2.96 3.57 -0.23 -1.88 116.94 122.57 2wri h PHE 75 Ca 0.41 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.85 2wri h PHE 75 Cb 0.49 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wri h PHE 75 CO -0.09 0.34 -0.18 -0.09 -2.23 0.00 0.00 178.31 176.06 2wri h ARG 76 N 0.75 0.54 -0.57 1.11 9.65 0.51 -2.66 114.38 123.71 2wri h ARG 76 Ca 0.36 -0.26 0.07 0.00 -1.10 0.00 0.00 59.98 59.05 2wri h ARG 76 Cb 0.30 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.83 2wri h ARG 76 CO -0.23 0.84 0.26 -0.91 2.80 0.00 0.00 179.97 182.73 2wri h ASN 77 N 0.25 0.34 -0.48 -3.80 2.35 -0.88 0.19 115.58 113.55 2wri h ASN 77 Ca 0.05 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2wri h ASN 77 Cb 0.71 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 2wri h ASN 77 CO 0.05 0.22 0.28 0.25 -1.65 0.00 0.00 177.43 176.58 2wri h LEU 78 N 0.49 0.59 0.51 1.61 6.46 -1.36 -1.60 115.31 122.01 2wri h LEU 78 Ca 0.27 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2wri h LEU 78 Cb 0.23 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2wri h LEU 78 CO -0.22 0.50 -0.24 0.15 -0.62 0.00 0.00 178.44 178.01 2wri h PHE 79 N 0.64 -0.63 0.00 1.25 3.57 -0.98 0.51 116.94 121.30 2wri h PHE 79 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2wri h PHE 79 Cb 0.03 0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2wri h PHE 79 CO -0.02 -0.37 0.13 0.39 -2.23 0.00 0.00 178.31 176.21 2wri n GLU 80 N -5.37 0.04 -0.09 1.11 -0.58 0.59 -0.56 120.64 115.78 2wri n GLU 80 Ca -0.12 0.46 -0.16 0.00 -0.42 0.00 0.00 57.16 56.92 2wri n GLU 80 Cb 0.29 -1.76 -0.08 0.00 -0.57 0.00 0.00 31.44 29.33 2wri n GLU 80 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2wri n GLU 81 N -1.64 0.53 -0.14 3.49 2.13 -0.53 -4.04 120.64 120.43 2wri n GLU 81 Ca -0.00 0.53 0.25 0.00 0.66 0.00 0.00 57.16 58.60 2wri n GLU 81 Cb 0.14 -1.70 0.69 0.00 0.27 0.00 0.00 31.44 30.84 2wri n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wri h ALA 82 N -0.72 2.68 0.61 4.31 0.00 0.13 -1.97 119.26 124.30 2wri h ALA 82 Ca -0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2wri h ALA 82 Cb 1.04 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2wri h ALA 82 CO -0.15 -0.91 -0.29 0.77 0.00 0.00 0.00 179.25 178.67 2wri h SER 83 N 0.05 -0.69 0.02 0.00 0.02 -1.42 -2.96 113.55 108.56 2wri h SER 83 Ca 0.39 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2wri h SER 83 Cb 1.46 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2wri h SER 83 CO -0.03 -0.35 0.00 0.29 -1.14 0.00 0.00 176.83 175.61 2wri n LYS 84 N -5.03 0.03 -2.67 3.45 4.76 -0.98 -4.61 118.16 113.11 2wri n LYS 84 Ca -0.10 0.52 -0.40 0.00 -2.87 0.00 0.00 58.31 55.46 2wri n LYS 84 Cb 0.32 -1.59 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 2wri n LYS 84 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2wri s LYS 85 N -3.11 4.77 -0.53 1.97 2.47 -0.78 -4.98 119.74 119.56 2wri s LYS 85 Ca -0.00 1.57 -0.28 0.00 -1.56 0.00 0.00 55.97 55.70 2wri s LYS 85 Cb 0.02 -3.22 0.02 0.00 -1.46 0.00 0.00 37.83 33.19 2wri s LYS 85 CO 0.05 0.41 1.24 0.15 0.16 0.00 0.00 175.35 177.35 2wri s LYS 86 N -1.32 3.55 0.00 4.03 -0.14 -1.26 -4.81 119.74 119.79 2wri s LYS 86 Ca 0.43 0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.50 2wri s LYS 86 Cb -0.27 -4.00 0.00 0.00 -1.68 0.00 0.00 37.83 31.88 2wri s LYS 86 CO 0.34 -1.62 0.00 0.41 -0.76 0.00 0.00 175.35 173.72 2wri n GLY 87 N 5.03 3.60 3.53 -3.33 0.00 -1.26 -5.04 105.19 107.71 2wri n GLY 87 Ca 0.11 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 2wri n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wri n VAL 88 N -1.41 0.02 -0.32 1.61 0.31 -1.26 -4.78 118.33 112.50 2wri n VAL 88 Ca 0.00 -0.52 0.20 0.00 -0.01 0.00 0.00 64.34 64.00 2wri n VAL 88 Cb 0.00 -2.15 0.39 0.00 -0.91 0.00 0.00 33.84 31.18 2wri n VAL 88 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2wri h THR 89 N 7.60 0.22 0.00 2.52 2.02 -1.87 -2.33 112.91 121.06 2wri h THR 89 Ca -0.23 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2wri h THR 89 Cb 1.28 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2wri h THR 89 CO 1.16 0.03 0.00 0.61 0.37 0.00 0.00 175.52 177.69 2wri n GLY 90 N -1.35 -2.98 0.44 2.16 0.00 -1.26 -1.16 105.19 101.04 2wri n GLY 90 Ca 0.27 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.53 2wri n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wri h SER 91 N 0.00 -1.60 -0.72 1.61 0.02 -1.90 -2.32 113.55 108.64 2wri h SER 91 Ca 0.00 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 2wri h SER 91 Cb 0.00 0.64 -0.09 0.00 0.14 0.00 0.00 62.40 63.09 2wri h SER 91 CO 0.00 -0.45 -0.43 0.52 -1.14 0.00 0.00 176.83 175.33 2wri n VAL 92 N -5.43 -0.49 -0.29 2.27 0.31 -0.90 0.19 118.33 113.99 2wri n VAL 92 Ca -0.05 1.82 0.01 0.00 -0.01 0.00 0.00 64.34 66.11 2wri n VAL 92 Cb 0.37 -2.25 0.08 0.00 -0.91 0.00 0.00 33.84 31.13 2wri n VAL 92 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 2wri h PHE 93 N 0.00 -0.63 -0.55 3.52 -0.00 -0.56 1.32 116.94 120.04 2wri h PHE 93 Ca 0.12 0.08 0.03 0.00 -0.00 0.00 0.00 57.97 58.19 2wri h PHE 93 Cb 0.30 0.40 -0.04 0.00 -0.00 0.00 0.00 35.95 36.61 2wri h PHE 93 CO -0.79 -0.37 0.32 -0.07 -0.00 0.00 0.00 178.31 177.40 2wri h LEU 94 N -0.03 0.51 -0.97 0.59 3.38 -0.19 -1.91 115.31 116.70 2wri h LEU 94 Ca 0.36 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.48 2wri h LEU 94 Cb 0.60 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 2wri h LEU 94 CO -0.85 0.36 -0.41 1.23 0.09 0.00 0.00 178.44 178.86 2wri h GLY 95 N 0.63 -0.04 0.43 0.83 0.00 0.41 0.28 103.07 105.62 2wri h GLY 95 Ca 0.23 0.55 -0.00 0.00 0.00 0.00 0.00 47.33 48.10 2wri h GLY 95 CO -0.11 -0.18 -0.03 1.41 0.00 0.00 0.00 176.54 177.64 2wri h LEU 96 N -0.02 -0.06 -0.98 3.11 -0.00 -1.12 -2.44 115.31 113.80 2wri h LEU 96 Ca 0.32 -0.50 0.32 0.00 -0.00 0.00 0.00 57.88 58.02 2wri h LEU 96 Cb 0.58 0.02 -0.16 0.00 -0.00 0.00 0.00 40.66 41.09 2wri h LEU 96 CO -0.96 0.50 0.45 -0.07 -0.00 0.00 0.00 178.44 178.35 2wri h LEU 97 N -0.65 0.28 -0.94 1.67 3.38 -0.53 1.34 115.31 119.86 2wri h LEU 97 Ca -0.01 0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 2wri h LEU 97 Cb 0.56 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2wri h LEU 97 CO 0.01 -0.23 -0.50 -0.08 0.09 0.00 0.00 178.44 177.73 2wri h GLU 98 N 0.20 0.06 0.00 1.13 4.57 -0.35 -3.14 114.58 117.05 2wri h GLU 98 Ca 0.71 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.86 2wri h GLU 98 Cb 1.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.25 2wri h GLU 98 CO -0.68 0.55 0.00 0.43 -1.18 0.00 0.00 179.01 178.13 2wri n SER 99 N -3.94 0.00 -4.71 1.04 7.64 0.46 -4.20 113.62 109.90 2wri n SER 99 Ca -0.02 -1.37 -0.42 0.00 1.01 0.00 0.00 58.87 58.08 2wri n SER 99 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2wri n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wri s ARG 100 N -2.00 4.36 0.17 1.43 0.52 -1.15 -1.57 118.95 120.72 2wri s ARG 100 Ca 0.17 1.94 -0.17 0.00 -0.52 0.00 0.00 55.73 57.16 2wri s ARG 100 Cb 0.08 -3.31 0.12 0.00 0.52 0.00 0.00 34.95 32.36 2wri s ARG 100 CO 0.13 -0.37 1.65 1.25 0.02 0.00 0.00 175.30 177.98 2wri h LEU 101 N 6.91 -0.50 -2.02 2.53 5.85 0.00 0.49 115.31 128.57 2wri h LEU 101 Ca -0.42 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2wri h LEU 101 Cb 1.21 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2wri h LEU 101 CO 0.85 -0.18 0.20 -2.24 -0.34 0.00 0.00 178.44 176.72 2wri h ASP 102 N -0.04 0.00 0.00 1.25 2.03 -1.71 -0.90 116.42 117.05 2wri h ASP 102 Ca 0.21 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.46 2wri h ASP 102 Cb 0.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.86 2wri h ASP 102 CO -0.47 0.00 -0.76 -3.20 -1.03 0.00 0.00 179.24 173.78 2wri n ASN 103 N -2.73 1.84 -0.33 4.15 5.15 0.14 -3.51 115.26 119.98 2wri n ASN 103 Ca -0.02 0.55 0.25 0.00 -0.60 0.00 0.00 54.58 54.76 2wri n ASN 103 Cb 0.24 -0.86 0.48 0.00 -0.53 0.00 0.00 39.78 39.12 2wri n ASN 103 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2wri h VAL 104 N -1.00 0.12 0.36 3.44 2.07 -0.13 0.52 116.25 121.62 2wri h VAL 104 Ca -0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2wri h VAL 104 Cb 0.73 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2wri h VAL 104 CO -0.04 0.02 -0.26 0.58 0.02 0.00 0.00 177.57 177.89 2wri h VAL 105 N 0.11 0.00 -0.77 2.57 2.07 -1.35 0.22 116.25 119.09 2wri h VAL 105 Ca 0.75 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.44 2wri h VAL 105 Cb 1.82 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.48 2wri h VAL 105 CO -0.74 0.00 0.22 0.22 0.02 0.00 0.00 177.57 177.30 2wri h TYR 106 N -0.59 0.36 -0.90 1.57 3.20 -0.23 0.41 116.97 120.78 2wri h TYR 106 Ca -0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2wri h TYR 106 Cb 0.49 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2wri h TYR 106 CO -0.06 -0.07 0.57 0.00 -1.64 0.00 0.00 178.16 176.97 2wri h ARG 107 N 0.30 1.20 0.00 1.82 2.47 -0.20 -0.61 114.38 119.36 2wri h ARG 107 Ca 0.44 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 2wri h ARG 107 Cb 0.77 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2wri h ARG 107 CO -0.51 0.81 0.00 -0.11 0.56 0.00 0.00 179.97 180.72 2wri n LEU 108 N -4.43 0.31 0.00 3.04 7.94 0.74 -4.84 117.00 119.76 2wri n LEU 108 Ca 0.10 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2wri n LEU 108 Cb 0.03 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.49 2wri n LEU 108 CO 0.37 -0.26 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 2wri n GLY 109 N 0.59 0.76 0.13 -3.96 0.00 -0.11 -4.91 105.19 97.70 2wri n GLY 109 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2wri n GLY 109 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wri n PHE 110 N -2.19 0.69 -3.88 1.61 3.01 -1.11 -4.49 117.46 111.10 2wri n PHE 110 Ca 0.00 0.32 -0.11 0.00 1.01 0.00 0.00 57.45 58.66 2wri n PHE 110 Cb 0.00 -1.01 -0.13 0.00 -0.01 0.00 0.00 39.48 38.33 2wri n PHE 110 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wri s ALA 111 N -3.40 -0.07 0.31 4.37 0.00 -1.26 -4.80 121.76 116.91 2wri s ALA 111 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2wri s ALA 111 Cb 0.07 -0.02 0.53 0.00 0.00 0.00 0.00 23.12 23.70 2wri s ALA 111 CO 0.26 -0.06 1.77 -0.24 0.00 0.00 0.00 175.76 177.49 2wri h VAL 112 N 4.96 1.26 -3.56 0.00 3.04 -1.91 -3.42 116.25 116.61 2wri h VAL 112 Ca -0.26 -1.22 -0.29 0.00 -1.01 0.00 0.00 66.70 63.92 2wri h VAL 112 Cb 1.21 1.42 -0.15 0.00 -2.01 0.00 0.00 31.29 31.76 2wri h VAL 112 CO 0.47 0.38 -0.70 -0.94 -1.01 0.00 0.00 177.57 175.76 2wri s SER 113 N -6.85 1.53 0.12 3.17 1.04 -1.26 -4.40 113.70 107.04 2wri s SER 113 Ca -0.06 -1.04 -0.15 0.00 0.48 0.00 0.00 55.95 55.19 2wri s SER 113 Cb 0.14 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 2wri s SER 113 CO 0.77 -0.41 1.53 0.03 0.98 0.00 0.00 173.24 176.14 2wri h ARG 114 N 2.81 0.71 -1.00 4.02 3.08 -1.83 0.21 114.38 122.39 2wri h ARG 114 Ca -0.36 -0.26 0.24 0.00 0.07 0.00 0.00 59.98 59.67 2wri h ARG 114 Cb 1.19 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.11 2wri h ARG 114 CO 0.64 0.85 0.65 0.00 -1.07 0.00 0.00 179.97 181.04 2wri h ARG 115 N 0.52 0.40 0.00 0.04 2.47 -1.94 -0.87 114.38 115.01 2wri h ARG 115 Ca 0.10 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 2wri h ARG 115 Cb 0.57 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 2wri h ARG 115 CO 0.03 0.26 -0.25 0.37 0.56 0.00 0.00 179.97 180.95 2wri h GLN 116 N 0.41 0.00 -1.15 0.04 4.15 -1.76 -3.33 115.11 113.48 2wri h GLN 116 Ca 0.55 0.00 0.36 0.00 0.77 0.00 0.00 58.65 60.33 2wri h GLN 116 Cb 1.37 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.93 2wri h GLN 116 CO -0.25 0.78 0.71 0.00 -1.93 0.00 0.00 178.83 178.14 2wri h ALA 117 N -0.31 2.37 0.77 3.38 0.00 0.14 0.35 119.26 125.97 2wri h ALA 117 Ca -0.06 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wri h ALA 117 Cb 0.86 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2wri h ALA 117 CO -0.04 -0.95 -0.37 -0.09 0.00 0.00 0.00 179.25 177.80 2wri h ARG 118 N 0.22 -0.99 -0.82 0.00 2.43 -1.30 -2.27 114.38 111.65 2wri h ARG 118 Ca 0.75 0.07 0.20 0.00 -0.81 0.00 0.00 59.98 60.18 2wri h ARG 118 Cb 2.06 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 31.71 2wri h ARG 118 CO -0.46 -0.65 0.26 0.37 -1.51 0.00 0.00 179.97 177.98 2wri h GLN 119 N -1.08 0.30 0.52 0.20 4.15 -1.04 0.36 115.11 118.52 2wri h GLN 119 Ca -0.11 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2wri h GLN 119 Cb 0.80 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 2wri h GLN 119 CO 0.17 0.20 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.80 2wri h LEU 120 N 0.31 -1.07 -0.85 -2.39 3.38 -1.33 -0.44 115.31 112.92 2wri h LEU 120 Ca 0.49 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.74 2wri h LEU 120 Cb 0.91 0.33 -0.15 0.00 0.09 0.00 0.00 40.66 41.84 2wri h LEU 120 CO -0.55 -0.57 0.00 0.58 0.09 0.00 0.00 178.44 177.99 2wri h VAL 121 N -0.89 0.22 0.25 1.22 2.07 -0.56 -0.54 116.25 118.01 2wri h VAL 121 Ca -0.07 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2wri h VAL 121 Cb 0.74 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2wri h VAL 121 CO 0.01 0.01 -0.17 -0.09 0.02 0.00 0.00 177.57 177.36 2wri h ARG 122 N 0.07 -0.39 -1.29 1.57 9.65 -0.50 -2.85 114.38 120.64 2wri h ARG 122 Ca 0.48 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.39 2wri h ARG 122 Cb 0.89 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2wri h ARG 122 CO -0.77 -0.26 0.00 0.72 2.80 0.00 0.00 179.97 182.46 2wri n HIS 123 N -5.29 0.00 -1.34 2.20 8.25 -0.22 -4.69 115.22 114.13 2wri n HIS 123 Ca -0.09 -0.44 -0.12 0.00 -0.26 0.00 0.00 57.72 56.81 2wri n HIS 123 Cb 0.21 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 2wri n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wri n GLY 124 N 0.71 1.14 0.00 -1.41 0.00 -1.08 -4.78 105.19 99.77 2wri n GLY 124 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2wri n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wri n HIS 125 N -1.80 0.00 -4.23 1.61 8.25 -1.10 -4.66 115.22 113.28 2wri n HIS 125 Ca -0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.11 2wri n HIS 125 Cb 0.40 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2wri n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wri s ILE 126 N -2.82 3.11 -0.00 1.59 1.09 -1.26 -0.71 121.20 122.20 2wri s ILE 126 Ca 0.13 -1.85 -0.12 0.00 -1.10 0.00 0.00 60.65 57.71 2wri s ILE 126 Cb 0.12 -2.88 0.01 0.00 -1.06 0.00 0.00 42.46 38.66 2wri s ILE 126 CO 0.32 -0.27 0.24 0.28 -0.10 0.00 0.00 174.94 175.41 2wri s THR 127 N -2.40 0.07 -0.21 2.92 -1.32 0.11 -3.29 115.64 111.51 2wri s THR 127 Ca 0.34 -0.58 0.01 0.00 -1.21 0.00 0.00 61.69 60.25 2wri s THR 127 Cb -0.04 -0.58 0.05 0.00 -1.51 0.00 0.00 72.50 70.42 2wri s THR 127 CO 0.21 -0.32 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.50 2wri s VAL 128 N -1.46 1.74 -0.90 5.08 1.01 -0.81 -1.15 120.40 123.91 2wri s VAL 128 Ca -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.70 2wri s VAL 128 Cb -0.06 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2wri s VAL 128 CO 0.03 0.12 0.00 0.59 0.00 0.00 0.00 175.10 175.83 2wri n ASN 129 N 4.64 -2.79 0.00 3.32 5.03 -0.76 -3.39 115.26 121.30 2wri n ASN 129 Ca -0.15 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2wri n ASN 129 Cb 0.46 -2.58 0.00 0.00 -1.02 0.00 0.00 39.78 36.63 2wri n ASN 129 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wri n GLY 130 N -0.43 1.63 3.60 7.41 0.00 -1.26 -5.05 105.19 111.09 2wri n GLY 130 Ca -0.10 -0.63 -0.48 0.00 0.00 0.00 0.00 46.02 44.80 2wri n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri n ARG 131 N 0.00 1.35 -2.74 1.61 3.00 -1.22 -4.83 116.66 113.84 2wri n ARG 131 Ca 0.00 0.48 -0.38 0.00 -0.01 0.00 0.00 57.85 57.94 2wri n ARG 131 Cb 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 32.46 30.36 2wri n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wri s ARG 132 N -0.22 4.65 0.21 5.56 1.04 -1.26 -1.92 118.95 127.00 2wri s ARG 132 Ca 0.74 1.42 0.09 0.00 -1.04 0.00 0.00 55.73 56.94 2wri s ARG 132 Cb -0.82 -2.95 -0.04 0.00 -2.04 0.00 0.00 34.95 29.09 2wri s ARG 132 CO 0.50 0.32 -0.05 0.08 -0.04 0.00 0.00 175.30 176.11 2wri s VAL 133 N -1.46 3.35 0.00 4.99 1.01 -1.21 -4.90 120.40 122.18 2wri s VAL 133 Ca 0.48 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2wri s VAL 133 Cb -0.22 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2wri s VAL 133 CO 0.28 -0.20 0.08 -0.90 0.00 0.00 0.00 175.10 174.35 2wri n ASP 134 N -0.31 0.17 -4.55 3.32 3.85 -1.25 -4.41 116.55 113.38 2wri n ASP 134 Ca -0.09 -0.94 -0.43 0.00 -0.71 0.00 0.00 54.79 52.62 2wri n ASP 134 Cb 0.57 0.01 -0.06 0.00 -1.35 0.00 0.00 41.12 40.29 2wri n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2wri s LEU 135 N -0.02 4.27 0.23 -2.12 2.01 -1.26 -3.47 118.68 118.31 2wri s LEU 135 Ca 0.00 -0.05 -0.06 0.00 0.01 0.00 0.00 54.13 54.03 2wri s LEU 135 Cb 0.00 -2.93 0.37 0.00 0.01 0.00 0.00 46.19 43.64 2wri s LEU 135 CO 0.00 -0.85 1.79 -0.65 1.01 0.00 0.00 176.35 177.65 2wri h PRO 136 N 8.86 0.65 0.00 1.29 0.11 -1.89 -1.30 132.00 139.72 2wri h PRO 136 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wri h PRO 136 Cb 1.09 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2wri h PRO 136 CO 0.94 0.43 0.00 -1.13 -0.21 0.00 0.00 178.00 178.03 2wri n SER 137 N -4.82 0.04 -4.54 -2.05 3.41 -1.26 -1.76 113.62 102.64 2wri n SER 137 Ca 0.12 0.52 -0.47 0.00 -0.26 0.00 0.00 58.87 58.79 2wri n SER 137 Cb 0.28 -0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 2wri n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wri n TYR 138 N -1.56 0.87 -3.80 7.33 9.36 -0.49 -4.62 117.16 124.26 2wri n TYR 138 Ca 0.01 0.77 -0.37 0.00 3.32 0.00 0.00 57.90 61.62 2wri n TYR 138 Cb 0.03 -2.19 -0.13 0.00 -0.63 0.00 0.00 39.34 36.43 2wri n TYR 138 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wri s ARG 139 N -1.14 2.97 0.16 2.98 0.52 -1.26 -0.58 118.95 122.59 2wri s ARG 139 Ca 0.64 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2wri s ARG 139 Cb -0.80 -3.32 -0.08 0.00 0.52 0.00 0.00 34.95 31.28 2wri s ARG 139 CO 0.57 -0.47 1.32 0.08 0.02 0.00 0.00 175.30 176.82 2wri s VAL 140 N 1.45 3.35 0.76 3.52 1.01 -0.61 -5.02 120.40 124.87 2wri s VAL 140 Ca 0.01 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.01 2wri s VAL 140 Cb -0.17 -3.67 0.14 0.00 0.00 0.00 0.00 36.38 32.67 2wri s VAL 140 CO 0.01 0.13 1.05 -0.13 0.00 0.00 0.00 175.10 176.16 2wri s ARG 141 N 0.40 1.51 -0.28 2.72 0.52 -1.26 -4.91 118.95 117.64 2wri s ARG 141 Ca 0.59 -0.99 -0.27 0.00 -0.52 0.00 0.00 55.73 54.54 2wri s ARG 141 Cb -0.36 -2.25 0.01 0.00 0.52 0.00 0.00 34.95 32.87 2wri s ARG 141 CO 0.35 -1.61 0.96 -2.14 0.02 0.00 0.00 175.30 172.88 2wri s PRO 142 N -5.27 4.10 0.00 3.54 0.02 -1.26 -4.10 135.00 132.04 2wri s PRO 142 Ca 0.68 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.70 2wri s PRO 142 Cb -0.05 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.77 2wri s PRO 142 CO 0.46 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 2wri n GLY 143 N 3.80 0.76 3.32 0.52 0.00 -0.85 -5.03 105.19 107.70 2wri n GLY 143 Ca 0.09 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2wri n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wri s ASP 144 N -1.73 2.42 -0.26 1.61 1.11 -1.26 -4.94 116.67 113.62 2wri s ASP 144 Ca 0.00 -0.97 -0.04 0.00 0.18 0.00 0.00 52.55 51.73 2wri s ASP 144 Cb 0.00 -0.11 0.01 0.00 1.07 0.00 0.00 42.92 43.89 2wri s ASP 144 CO 0.00 -0.17 -0.01 -1.61 1.18 0.00 0.00 175.17 174.56 2wri s GLU 145 N -3.40 3.02 -0.40 8.23 2.02 -1.26 -2.13 118.70 124.78 2wri s GLU 145 Ca 0.19 -0.87 -0.15 0.00 0.02 0.00 0.00 54.97 54.15 2wri s GLU 145 Cb -0.02 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.11 2wri s GLU 145 CO 0.05 -0.38 0.32 0.42 0.02 0.00 0.00 175.26 175.70 2wri s ILE 146 N 1.41 5.22 0.30 -1.63 -1.09 0.23 -1.83 121.20 123.82 2wri s ILE 146 Ca 0.02 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 2wri s ILE 146 Cb -0.16 -3.92 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 2wri s ILE 146 CO -0.02 -0.28 -0.04 0.00 -1.23 0.00 0.00 174.94 173.37 2wri s ALA 147 N 1.79 2.45 -0.08 9.38 0.00 -0.30 -2.73 121.76 132.27 2wri s ALA 147 Ca 0.07 -1.97 -0.18 0.00 0.00 0.00 0.00 51.96 49.88 2wri s ALA 147 Cb -0.18 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2wri s ALA 147 CO 0.11 -0.10 0.49 0.08 0.00 0.00 0.00 175.76 176.34 2wri s VAL 148 N -3.00 5.11 1.14 0.00 1.01 -1.10 0.08 120.40 123.64 2wri s VAL 148 Ca 0.31 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 63.10 2wri s VAL 148 Cb 0.05 -3.82 0.17 0.00 0.00 0.00 0.00 36.38 32.77 2wri s VAL 148 CO 0.13 0.39 0.24 0.00 0.00 0.00 0.00 175.10 175.86 2wri n ALA 149 N 3.17 -3.37 -0.07 5.51 0.00 0.11 -4.75 120.51 121.10 2wri n ALA 149 Ca -0.08 -1.30 -0.13 0.00 0.00 0.00 0.00 53.44 51.92 2wri n ALA 149 Cb 0.52 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 2wri n ALA 149 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wri h GLU 150 N -2.45 0.00 -0.98 0.00 9.09 -1.94 -2.84 114.58 115.47 2wri h GLU 150 Ca -0.46 0.00 0.27 0.00 0.05 0.00 0.00 59.36 59.22 2wri h GLU 150 Cb 1.21 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.26 2wri h GLU 150 CO 0.32 0.89 0.68 -0.22 0.05 0.00 0.00 179.01 180.74 2wri h LYS 151 N -1.00 0.11 0.13 1.06 3.64 -1.97 -2.55 116.57 115.98 2wri h LYS 151 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2wri h LYS 151 Cb 0.93 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2wri h LYS 151 CO -0.02 0.07 -0.06 0.77 -2.27 0.00 0.00 179.45 177.94 2wri h SER 152 N 0.11 -0.15 0.00 4.20 0.02 -1.91 -3.40 113.55 112.43 2wri h SER 152 Ca 0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 2wri h SER 152 Cb 1.72 0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.30 2wri h SER 152 CO -0.07 -0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.15 2wri n ARG 153 N -2.99 0.00 -2.50 3.45 1.74 -0.96 -1.34 116.66 114.07 2wri n ARG 153 Ca -0.02 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 2wri n ARG 153 Cb 0.07 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.52 2wri n ARG 153 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2wri n ASN 154 N 0.00 6.73 -4.08 0.55 6.94 -1.26 -4.70 115.26 119.44 2wri n ASN 154 Ca 0.00 -3.73 -0.32 0.00 -0.02 0.00 0.00 54.58 50.51 2wri n ASN 154 Cb 0.00 -0.99 -0.16 0.00 -2.36 0.00 0.00 39.78 36.28 2wri n ASN 154 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wri s LEU 155 N -4.07 2.71 0.00 -4.53 1.43 -0.45 -5.04 118.68 108.73 2wri s LEU 155 Ca 0.45 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2wri s LEU 155 Cb 0.28 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2wri s LEU 155 CO -0.21 -0.11 0.00 -0.62 0.23 0.00 0.00 176.35 175.65 2wri n GLU 156 N 4.55 0.00 -0.20 1.70 1.02 -1.26 0.34 120.64 126.79 2wri n GLU 156 Ca -0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.92 2wri n GLU 156 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 2wri n GLU 156 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wri n LEU 157 N -1.19 -0.51 -0.31 -4.62 7.94 -1.26 0.43 117.00 117.48 2wri n LEU 157 Ca 0.00 1.21 0.12 0.00 -1.11 0.00 0.00 56.01 56.23 2wri n LEU 157 Cb 0.00 -0.29 0.26 0.00 0.53 0.00 0.00 43.42 43.93 2wri n LEU 157 CO 0.00 -0.87 0.85 0.40 -1.11 0.00 0.00 177.39 176.65 2wri h ILE 158 N 0.00 0.17 0.00 1.96 1.08 -0.42 -2.31 117.51 117.99 2wri h ILE 158 Ca 0.08 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2wri h ILE 158 Cb 0.20 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2wri h ILE 158 CO -0.45 0.01 0.00 0.54 -0.69 0.00 0.00 178.15 177.56 2wri n ARG 159 N -5.39 0.00 -0.22 2.37 5.12 0.17 0.18 116.66 118.88 2wri n ARG 159 Ca 0.21 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 2wri n ARG 159 Cb 0.68 -1.19 0.04 0.00 -1.16 0.00 0.00 32.46 30.83 2wri n ARG 159 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wri n GLN 160 N -1.09 -0.12 -0.07 5.56 6.02 -0.81 0.25 117.38 127.11 2wri n GLN 160 Ca 0.00 0.91 -0.12 0.00 -0.01 0.00 0.00 57.00 57.78 2wri n GLN 160 Cb 0.00 -1.36 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 2wri n GLN 160 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2wri h ASN 161 N 0.00 0.40 0.31 1.08 2.35 -1.46 -1.14 115.58 117.13 2wri h ASN 161 Ca 0.22 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2wri h ASN 161 Cb 0.37 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2wri h ASN 161 CO -0.59 0.68 0.00 0.18 -1.65 0.00 0.00 177.43 176.05 2wri n LEU 162 N -4.61 0.47 -0.02 1.61 4.77 0.51 -2.77 117.00 116.97 2wri n LEU 162 Ca -0.05 0.67 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 2wri n LEU 162 Cb 0.29 -0.67 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2wri n LEU 162 CO 0.38 -0.69 0.03 -0.08 -1.33 0.00 0.00 177.39 175.70 2wri h GLU 163 N 0.00 -0.06 0.00 3.23 4.57 0.45 -3.27 114.58 119.50 2wri h GLU 163 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2wri h GLU 163 Cb 0.16 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2wri h GLU 163 CO 0.00 -0.04 0.19 0.00 -1.18 0.00 0.00 179.01 177.98 2wri n ALA 164 N -2.71 0.65 0.18 2.92 0.00 -0.70 -0.63 120.51 120.22 2wri n ALA 164 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.50 2wri n ALA 164 Cb 0.03 -0.67 0.25 0.00 0.00 0.00 0.00 19.45 19.06 2wri n ALA 164 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2wri h MET 165 N 0.00 0.00 -6.00 0.00 2.86 -1.59 -3.40 114.93 106.81 2wri h MET 165 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 2wri h MET 165 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2wri h MET 165 CO 0.00 0.41 1.40 0.15 1.06 0.00 0.00 176.91 179.93 2wri s LYS 166 N -3.40 2.78 0.00 1.72 1.02 0.20 -2.99 119.74 119.07 2wri s LYS 166 Ca 0.01 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.16 2wri s LYS 166 Cb 0.10 -4.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.04 2wri s LYS 166 CO 0.70 -2.52 0.00 0.41 -0.92 0.00 0.00 175.35 173.02 2wri n GLY 167 N 5.68 2.54 3.55 -3.33 0.00 -1.26 -5.09 105.19 107.28 2wri n GLY 167 Ca 0.25 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 2wri n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri n ARG 168 N 0.00 0.89 -3.58 1.61 3.00 -1.16 -5.00 116.66 112.42 2wri n ARG 168 Ca 0.00 0.33 -0.22 0.00 -0.01 0.00 0.00 57.85 57.95 2wri n ARG 168 Cb 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 32.46 30.57 2wri n ARG 168 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wri s LYS 169 N -2.11 3.37 -0.12 5.56 1.02 -1.26 -4.99 119.74 121.21 2wri s LYS 169 Ca 0.67 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.06 2wri s LYS 169 Cb -0.51 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2wri s LYS 169 CO 0.54 0.20 -0.13 0.08 -0.92 0.00 0.00 175.35 175.13 2wri s VAL 170 N -2.19 1.38 0.00 3.17 1.01 -1.26 -5.08 120.40 117.43 2wri s VAL 170 Ca 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2wri s VAL 170 Cb -0.09 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2wri s VAL 170 CO 0.33 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.46 2wri n GLY 171 N 4.59 0.00 0.13 4.51 0.00 -1.26 -4.29 105.19 108.87 2wri n GLY 171 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.89 2wri n GLY 171 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wri n PRO 172 N 0.00 0.05 -0.35 1.61 -0.02 -1.26 0.91 135.00 135.94 2wri n PRO 172 Ca 0.00 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 2wri n PRO 172 Cb 0.00 -2.10 0.30 0.00 -0.02 0.00 0.00 33.50 31.68 2wri n PRO 172 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2wri n TRP 173 N -1.79 0.91 -3.90 6.00 2.14 -1.26 -4.82 117.44 114.72 2wri n TRP 173 Ca -0.00 -0.46 -0.11 0.00 2.07 0.00 0.00 57.50 59.00 2wri n TRP 173 Cb 0.46 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.84 2wri n TRP 173 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 2wri s LEU 174 N -1.01 1.87 -0.10 5.67 1.43 0.26 -1.68 118.68 125.13 2wri s LEU 174 Ca 0.46 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2wri s LEU 174 Cb 0.24 0.28 0.02 0.00 0.03 0.00 0.00 46.19 46.76 2wri s LEU 174 CO 0.31 -0.19 -0.14 -0.94 0.23 0.00 0.00 176.35 175.62 2wri s SER 175 N -0.77 2.25 0.07 2.29 1.04 -1.04 -4.63 113.70 112.91 2wri s SER 175 Ca -0.09 -0.38 0.08 0.00 0.48 0.00 0.00 55.95 56.04 2wri s SER 175 Cb -0.05 -1.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 2wri s SER 175 CO 0.00 0.00 -0.20 -0.22 0.98 0.00 0.00 173.24 173.81 2wri s LEU 176 N 0.99 2.55 -0.50 2.42 2.96 -1.26 -0.94 118.68 124.90 2wri s LEU 176 Ca -0.07 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2wri s LEU 176 Cb -0.15 -1.47 0.14 0.00 0.50 0.00 0.00 46.19 45.21 2wri s LEU 176 CO -0.01 0.23 0.30 -0.62 -1.32 0.00 0.00 176.35 174.93 2wri s ASP 177 N -1.65 3.86 0.43 3.68 -1.08 -1.24 -4.97 116.67 115.69 2wri s ASP 177 Ca 0.15 -2.98 0.29 0.00 -0.52 0.00 0.00 52.55 49.49 2wri s ASP 177 Cb -0.10 -1.25 1.42 0.00 -1.46 0.00 0.00 42.92 41.52 2wri s ASP 177 CO 0.06 -0.22 1.62 0.58 0.52 0.00 0.00 175.17 177.73 2wri h VAL 178 N 5.12 0.11 0.00 1.11 2.07 -1.94 -1.56 116.25 121.16 2wri h VAL 178 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2wri h VAL 178 Cb 0.89 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2wri h VAL 178 CO 0.57 0.01 0.00 -0.62 0.02 0.00 0.00 177.57 177.55 2wri n GLU 179 N -4.75 0.00 0.00 1.57 1.02 -1.26 -3.15 120.64 114.06 2wri n GLU 179 Ca 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2wri n GLU 179 Cb 1.42 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 32.26 2wri n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wri n GLY 180 N -0.08 0.00 3.81 0.62 0.00 -1.16 -4.75 105.19 103.62 2wri n GLY 180 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2wri n GLY 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wri n MET 181 N -0.82 -4.46 -0.83 1.61 2.81 -0.60 -4.78 117.12 110.06 2wri n MET 181 Ca 0.00 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 2wri n MET 181 Cb 0.00 -5.01 0.00 0.00 -0.71 0.00 0.00 33.22 27.50 2wri n MET 181 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wri n LYS 182 N -4.35 2.30 0.00 0.03 5.02 -1.14 -2.71 118.16 117.31 2wri n LYS 182 Ca -0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 2wri n LYS 182 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 2wri n LYS 182 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wri n GLY 183 N 5.00 2.48 3.90 0.72 0.00 -1.10 -3.66 105.19 112.53 2wri n GLY 183 Ca 0.00 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2wri n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wri s LYS 184 N 0.00 3.28 -1.05 1.61 1.02 -0.12 0.78 119.74 125.27 2wri s LYS 184 Ca 0.00 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 2wri s LYS 184 Cb 0.00 -2.89 0.31 0.00 -0.52 0.00 0.00 37.83 34.73 2wri s LYS 184 CO 0.00 0.53 1.49 0.34 -0.92 0.00 0.00 175.35 176.79 2wri n PHE 185 N -0.35 2.37 0.00 3.18 7.35 -0.90 -2.49 117.46 126.61 2wri n PHE 185 Ca -0.07 -2.65 0.00 0.00 -0.76 0.00 0.00 57.45 53.97 2wri n PHE 185 Cb 0.54 -1.20 0.00 0.00 0.35 0.00 0.00 39.48 39.16 2wri n PHE 185 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2wri n LEU 186 N 1.10 0.00 -4.30 -2.13 4.77 -0.67 -2.01 117.00 113.75 2wri n LEU 186 Ca 0.29 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.62 2wri n LEU 186 Cb 0.33 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 2wri n LEU 186 CO 0.69 -0.22 -0.18 0.00 -1.33 0.00 0.00 177.39 176.34 2wri s ARG 187 N -2.41 1.58 0.00 3.23 1.70 -1.16 -4.19 118.95 117.70 2wri s ARG 187 Ca 0.00 -1.90 -0.30 0.00 -0.47 0.00 0.00 55.73 53.06 2wri s ARG 187 Cb 0.00 0.07 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 2wri s ARG 187 CO 0.00 -0.50 1.32 -1.17 -1.08 0.00 0.00 175.30 173.87 2wri s LEU 188 N -3.34 4.32 1.04 -1.89 2.96 -1.26 -4.79 118.68 115.72 2wri s LEU 188 Ca 0.37 2.03 -0.20 0.00 -0.22 0.00 0.00 54.13 56.12 2wri s LEU 188 Cb 0.04 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 2wri s LEU 188 CO 0.19 -0.64 -0.40 -0.81 -1.32 0.00 0.00 176.35 173.37 2wri n PRO 189 N 5.02 -0.77 -4.51 0.98 -0.04 -1.26 -4.99 135.00 129.42 2wri n PRO 189 Ca 0.12 -0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 2wri n PRO 189 Cb 0.45 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2wri n PRO 189 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wri s ASP 190 N -1.57 3.40 0.02 3.54 2.15 -1.26 -4.86 116.67 118.08 2wri s ASP 190 Ca 0.49 -1.20 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 2wri s ASP 190 Cb -0.09 -0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.24 2wri s ASP 190 CO 0.68 -0.26 0.92 -1.14 -0.17 0.00 0.00 175.17 175.21 2wri n ARG 191 N -0.73 -0.04 -0.04 4.34 3.00 -1.26 -2.46 116.66 119.46 2wri n ARG 191 Ca -0.05 0.92 -0.12 0.00 -0.00 0.00 0.00 57.85 58.60 2wri n ARG 191 Cb 0.64 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.66 2wri n ARG 191 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2wri h GLU 192 N 0.00 0.25 -0.56 -0.14 3.07 -2.03 -3.11 114.58 112.06 2wri h GLU 192 Ca 0.02 -0.07 0.17 0.00 -0.50 0.00 0.00 59.36 58.97 2wri h GLU 192 Cb 0.04 -0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 27.82 2wri h GLU 192 CO -0.09 0.44 0.06 -0.25 -1.40 0.00 0.00 179.01 177.77 2wri n ASP 193 N -4.79 -0.02 -4.52 1.42 8.00 -1.03 -2.62 116.55 112.99 2wri n ASP 193 Ca -0.05 0.95 -0.43 0.00 0.71 0.00 0.00 54.79 55.97 2wri n ASP 193 Cb 0.19 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 2wri n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wri s LEU 194 N -9.24 4.18 -1.08 0.64 2.01 -1.13 -4.95 118.68 109.11 2wri s LEU 194 Ca -0.07 -0.36 -0.16 0.00 0.01 0.00 0.00 54.13 53.55 2wri s LEU 194 Cb 0.17 -2.83 0.16 0.00 0.01 0.00 0.00 46.19 43.70 2wri s LEU 194 CO 0.44 -1.17 1.29 0.00 1.01 0.00 0.00 176.35 177.91 2wri s ALA 195 N 3.78 3.74 -0.09 4.21 0.00 -1.08 -4.95 121.76 127.38 2wri s ALA 195 Ca 0.29 -3.11 -0.04 0.00 0.00 0.00 0.00 51.96 49.10 2wri s ALA 195 Cb -0.13 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 2wri s ALA 195 CO 0.19 -2.85 0.07 -0.51 0.00 0.00 0.00 175.76 172.67 2wri s LEU 196 N 1.99 3.96 0.00 0.00 1.02 -1.26 -4.95 118.68 119.43 2wri s LEU 196 Ca 0.38 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.80 2wri s LEU 196 Cb -0.04 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.18 2wri s LEU 196 CO -0.04 0.37 0.77 -0.81 0.02 0.00 0.00 176.35 176.67 2wri n PRO 197 N 1.92 0.87 -5.24 1.29 -0.04 -1.26 -4.75 135.00 127.80 2wri n PRO 197 Ca -0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 2wri n PRO 197 Cb 0.54 -1.15 -0.16 0.00 -0.04 0.00 0.00 33.50 32.70 2wri n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wri s VAL 198 N -0.12 2.14 -0.24 0.52 1.01 -1.26 -5.01 120.40 117.43 2wri s VAL 198 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 2wri s VAL 198 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2wri s VAL 198 CO 0.00 0.56 0.09 0.21 0.00 0.00 0.00 175.10 175.96 2wri s ASN 199 N -0.68 5.32 0.06 3.32 3.84 -1.26 -4.99 114.94 120.55 2wri s ASN 199 Ca 0.10 -0.14 -0.17 0.00 0.21 0.00 0.00 52.86 52.87 2wri s ASN 199 Cb -0.10 -1.96 -0.16 0.00 -0.55 0.00 0.00 41.25 38.49 2wri s ASN 199 CO -0.01 -0.01 1.28 1.05 -2.79 0.00 0.00 177.10 176.62 2wri h GLU 200 N 8.04 0.58 -0.80 0.43 9.09 -1.95 -3.28 114.58 126.70 2wri h GLU 200 Ca -0.37 -0.44 0.13 0.00 0.05 0.00 0.00 59.36 58.73 2wri h GLU 200 Cb 1.18 0.08 -0.14 0.00 -1.65 0.00 0.00 28.75 28.22 2wri h GLU 200 CO 0.59 1.06 -0.37 1.96 0.05 0.00 0.00 179.01 182.30 2wri h GLN 201 N 0.23 -0.08 0.12 1.06 1.08 -1.97 0.31 115.11 115.86 2wri h GLN 201 Ca -0.02 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2wri h GLN 201 Cb 1.11 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 2wri h GLN 201 CO 0.10 -0.05 -0.31 -0.07 -0.95 0.00 0.00 178.83 177.55 2wri h LEU 202 N -0.08 -0.91 -0.91 1.46 3.38 -1.97 -1.23 115.31 115.05 2wri h LEU 202 Ca 0.29 0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.52 2wri h LEU 202 Cb 0.57 0.33 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 2wri h LEU 202 CO -0.84 -0.34 -0.28 0.58 0.09 0.00 0.00 178.44 177.65 2wri h VAL 203 N -0.47 0.07 0.13 1.22 2.07 -1.22 0.25 116.25 118.30 2wri h VAL 203 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2wri h VAL 203 Cb 0.46 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2wri h VAL 203 CO -0.14 0.00 -0.43 0.40 0.02 0.00 0.00 177.57 177.42 2wri h ILE 204 N -0.01 0.00 -0.88 4.57 2.04 -0.65 0.23 117.51 122.80 2wri h ILE 204 Ca 0.40 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.52 2wri h ILE 204 Cb 0.65 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2wri h ILE 204 CO -0.94 0.00 0.79 -0.33 0.00 0.00 0.00 178.15 177.67 2wri h GLU 205 N -0.64 0.00 -0.07 2.37 5.08 0.57 0.83 114.58 122.71 2wri h GLU 205 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2wri h GLU 205 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2wri h GLU 205 CO -0.21 0.00 -0.47 0.35 -1.00 0.00 0.00 179.01 177.67 2wri h PHE 206 N 0.00 0.22 -0.44 4.33 3.57 0.24 -2.83 116.94 122.03 2wri h PHE 206 Ca 0.42 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.85 2wri h PHE 206 Cb 2.00 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.69 2wri h PHE 206 CO 0.00 0.62 0.00 0.66 -2.23 0.00 0.00 178.31 177.36 2wri n TYR 207 N -3.97 1.10 -0.04 0.41 0.53 0.29 -3.96 117.16 111.50 2wri n TYR 207 Ca -0.02 -0.43 0.01 0.00 -1.02 0.00 0.00 57.90 56.45 2wri n TYR 207 Cb 0.52 -0.21 -0.14 0.00 -1.03 0.00 0.00 39.34 38.47 2wri n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2wri n SER 208 N 0.67 0.73 0.00 7.72 7.64 -1.07 -5.08 113.62 124.23 2wri n SER 208 Ca 0.18 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.11 2wri n SER 208 Cb 0.69 1.44 0.30 0.00 -1.01 0.00 0.00 64.21 65.64 2wri n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89