#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh0 n GLY 6 N 0.00 2.31 2.99 3.14 0.00 -1.26 -4.71 105.19 107.66 1sh0 n GLY 6 Ca 0.00 -2.07 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 1sh0 n GLY 6 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sh0 s THR 7 N -2.23 0.47 -0.15 2.61 -1.32 -1.26 -2.03 115.64 111.73 1sh0 s THR 7 Ca 0.00 -0.43 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 1sh0 s THR 7 Cb 0.00 -0.43 0.05 0.00 -1.51 0.00 0.00 72.50 70.61 1sh0 s THR 7 CO 0.00 0.01 0.04 -0.47 -2.21 0.00 0.00 174.62 171.99 1sh0 s TYR 8 N -0.41 0.69 -1.32 9.09 5.04 0.85 -4.81 117.35 126.49 1sh0 s TYR 8 Ca -0.00 -0.48 -0.06 0.00 -2.44 0.00 0.00 57.07 54.08 1sh0 s TYR 8 Cb -0.04 -0.86 0.04 0.00 0.35 0.00 0.00 41.96 41.45 1sh0 s TYR 8 CO -0.00 -0.48 0.42 0.00 -1.34 0.00 0.00 175.55 174.15 1sh0 n GLY 10 N -1.19 0.72 3.50 0.00 0.00 -1.26 -4.49 105.19 102.47 1sh0 n GLY 10 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1sh0 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh0 s ALA 11 N -2.71 2.87 0.25 4.61 0.00 0.25 -4.94 121.76 122.09 1sh0 s ALA 11 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1sh0 s ALA 11 Cb 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 1sh0 s ALA 11 CO 0.00 0.42 1.53 -2.14 0.00 0.00 0.00 175.76 175.57 1sh0 s PRO 12 N -0.28 4.20 0.05 0.00 0.02 -1.25 -0.11 135.00 137.63 1sh0 s PRO 12 Ca 0.03 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1sh0 s PRO 12 Cb -0.13 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1sh0 s PRO 12 CO 0.03 -0.54 0.95 0.42 -0.33 0.00 0.00 177.00 177.53 1sh0 s ILE 13 N 0.19 4.69 -0.18 2.83 1.01 -0.86 -1.25 121.20 127.63 1sh0 s ILE 13 Ca 0.63 2.03 0.17 0.00 0.00 0.00 0.00 60.65 63.48 1sh0 s ILE 13 Cb -0.45 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.48 1sh0 s ILE 13 CO 0.43 0.25 0.08 0.18 0.00 0.00 0.00 174.94 175.88 1sh0 n LEU 14 N 3.32 0.00 0.00 2.97 4.77 0.22 -4.68 117.00 123.60 1sh0 n LEU 14 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1sh0 n LEU 14 Cb 0.50 0.45 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1sh0 n LEU 14 CO 0.51 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1sh0 n GLY 15 N 1.78 0.50 3.75 -0.72 0.00 -1.12 -5.00 105.19 104.38 1sh0 n GLY 15 Ca -0.30 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 1sh0 n GLY 15 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh0 s PRO 16 N -1.65 1.85 0.17 1.61 0.02 -1.26 -1.04 135.00 134.69 1sh0 s PRO 16 Ca 0.00 1.02 -0.00 0.00 0.02 0.00 0.00 61.00 62.04 1sh0 s PRO 16 Cb 0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1sh0 s PRO 16 CO 0.00 -1.89 0.35 0.20 -0.33 0.00 0.00 177.00 175.33 1sh0 s GLY 17 N -3.41 1.85 0.00 0.52 0.00 -1.01 -3.63 107.32 101.64 1sh0 s GLY 17 Ca 0.62 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1sh0 s GLY 17 CO 0.56 -0.82 0.53 -1.14 0.00 0.00 0.00 173.10 172.23 1sh0 n SER 18 N -0.47 0.67 -4.76 1.64 3.41 -1.26 -4.82 113.62 108.03 1sh0 n SER 18 Ca -0.05 -1.26 -0.35 0.00 -0.26 0.00 0.00 58.87 56.95 1sh0 n SER 18 Cb 0.53 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1sh0 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sh0 s ALA 19 N -0.26 2.53 0.59 7.33 0.00 -1.26 -4.99 121.76 125.70 1sh0 s ALA 19 Ca 0.00 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 1sh0 s ALA 19 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1sh0 s ALA 19 CO 0.00 -1.13 1.31 -1.25 0.00 0.00 0.00 175.76 174.69 1sh0 s PRO 20 N -3.57 2.88 0.35 0.00 0.04 -1.26 -4.86 135.00 128.58 1sh0 s PRO 20 Ca 0.73 2.11 -0.26 0.00 0.04 0.00 0.00 61.00 63.62 1sh0 s PRO 20 Cb -0.26 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.11 1sh0 s PRO 20 CO 0.34 -1.35 0.96 1.63 0.04 0.00 0.00 177.00 178.62 1sh0 n LYS 21 N -1.45 1.28 -1.81 4.56 5.02 -1.26 -4.90 118.16 119.59 1sh0 n LYS 21 Ca 0.13 0.45 -0.40 0.00 -2.02 0.00 0.00 58.31 56.47 1sh0 n LYS 21 Cb 0.47 -1.88 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 1sh0 n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sh0 s LEU 22 N 0.25 4.13 0.30 -0.35 2.01 -1.26 -4.92 118.68 118.84 1sh0 s LEU 22 Ca 0.61 2.92 -0.29 0.00 0.01 0.00 0.00 54.13 57.37 1sh0 s LEU 22 Cb -0.64 -3.92 -0.10 0.00 0.01 0.00 0.00 46.19 41.54 1sh0 s LEU 22 CO 0.59 -1.14 1.31 -0.55 1.01 0.00 0.00 176.35 177.57 1sh0 s SER 23 N -0.50 6.80 -0.12 2.29 0.15 -1.26 -4.92 113.70 116.14 1sh0 s SER 23 Ca 0.60 2.63 0.15 0.00 0.70 0.00 0.00 55.95 60.03 1sh0 s SER 23 Cb -0.44 -2.64 0.53 0.00 -1.71 0.00 0.00 66.02 61.77 1sh0 s SER 23 CO 0.56 -0.54 1.45 0.35 1.20 0.00 0.00 173.24 176.26 1sh0 n THR 24 N 1.27 1.86 -4.48 6.45 -2.24 -1.26 -4.91 114.28 110.96 1sh0 n THR 24 Ca 0.02 -1.44 -0.25 0.00 -2.27 0.00 0.00 64.05 60.10 1sh0 n THR 24 Cb 0.42 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.59 1sh0 n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sh0 s LYS 25 N -2.08 1.87 0.14 -0.78 1.02 -1.26 -4.77 119.74 113.88 1sh0 s LYS 25 Ca 0.40 -1.87 0.06 0.00 0.02 0.00 0.00 55.97 54.58 1sh0 s LYS 25 Cb 0.28 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 1sh0 s LYS 25 CO 0.15 0.16 -0.14 -0.08 -0.92 0.00 0.00 175.35 174.53 1sh0 s THR 26 N -2.57 1.38 -2.75 2.17 -1.32 -0.24 -4.93 115.64 107.38 1sh0 s THR 26 Ca 0.33 -1.85 0.25 0.00 -1.21 0.00 0.00 61.69 59.20 1sh0 s THR 26 Cb 0.01 -1.67 0.34 0.00 -1.51 0.00 0.00 72.50 69.67 1sh0 s THR 26 CO 0.17 -0.49 1.44 2.29 -2.21 0.00 0.00 174.62 175.81 1sh0 n LYS 27 N 0.27 2.12 -3.43 7.08 2.85 -1.26 -1.74 118.16 124.05 1sh0 n LYS 27 Ca -0.13 -1.64 -0.38 0.00 -1.05 0.00 0.00 58.31 55.11 1sh0 n LYS 27 Cb 0.58 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 33.43 1sh0 n LYS 27 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1sh0 s PHE 28 N -1.93 3.62 0.08 5.58 0.08 -1.26 -0.65 117.98 123.51 1sh0 s PHE 28 Ca 0.32 0.92 0.05 0.00 0.12 0.00 0.00 56.93 58.34 1sh0 s PHE 28 Cb 0.20 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 1sh0 s PHE 28 CO 0.31 0.42 -0.14 -1.58 -0.10 0.00 0.00 175.22 174.13 1sh0 s TRP 29 N -0.26 1.26 0.35 0.36 0.52 -0.08 -4.71 118.94 116.37 1sh0 s TRP 29 Ca 0.24 -0.49 -0.28 0.00 0.02 0.00 0.00 56.10 55.58 1sh0 s TRP 29 Cb -0.16 -0.70 -0.11 0.00 -1.15 0.00 0.00 33.47 31.36 1sh0 s TRP 29 CO 0.11 0.07 1.40 1.03 0.02 0.00 0.00 176.95 179.58 1sh0 s ARG 30 N -1.99 4.24 0.18 4.98 1.81 -0.57 -1.16 118.95 126.44 1sh0 s ARG 30 Ca 0.01 2.38 0.25 0.00 -1.72 0.00 0.00 55.73 56.64 1sh0 s ARG 30 Cb -0.09 -3.03 0.47 0.00 -0.45 0.00 0.00 34.95 31.85 1sh0 s ARG 30 CO 0.02 -0.36 1.47 0.66 -0.68 0.00 0.00 175.30 176.42 1sh0 h SER 31 N 3.31 0.00 -5.51 0.23 4.64 -1.63 -0.83 113.55 113.76 1sh0 h SER 31 Ca -0.50 -0.11 0.21 0.00 -0.47 0.00 0.00 61.79 60.92 1sh0 h SER 31 Cb 1.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 1sh0 h SER 31 CO 0.66 0.06 0.65 -0.94 -0.87 0.00 0.00 176.83 176.38 1sh0 s SER 32 N -4.58 -0.02 0.00 4.97 1.04 -1.26 -4.78 113.70 109.06 1sh0 s SER 32 Ca 0.07 -0.51 0.29 0.00 0.48 0.00 0.00 55.95 56.28 1sh0 s SER 32 Cb 0.12 0.41 1.45 0.00 0.10 0.00 0.00 66.02 68.10 1sh0 s SER 32 CO 0.68 -0.80 1.99 0.35 0.98 0.00 0.00 173.24 176.44 1sh0 n THR 33 N -0.69 0.06 -1.63 2.02 -2.24 -1.26 -4.88 114.28 105.66 1sh0 n THR 33 Ca -0.03 0.02 -0.47 0.00 -2.27 0.00 0.00 64.05 61.30 1sh0 n THR 33 Cb 0.60 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 1sh0 n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sh0 n ALA 34 N -1.28 0.34 -1.80 6.98 0.00 -1.26 -4.85 120.51 118.65 1sh0 n ALA 34 Ca 0.14 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 1sh0 n ALA 34 Cb 0.22 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 1sh0 n ALA 34 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1sh0 s PRO 35 N -0.13 4.24 -0.32 0.00 0.02 -1.26 -4.93 135.00 132.62 1sh0 s PRO 35 Ca 0.73 2.37 -0.29 0.00 0.02 0.00 0.00 61.00 63.82 1sh0 s PRO 35 Cb -0.75 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 30.73 1sh0 s PRO 35 CO 0.49 -0.39 1.29 -1.17 -0.33 0.00 0.00 177.00 176.88 1sh0 s LEU 36 N -1.32 3.84 0.23 -5.54 2.96 -1.26 -4.99 118.68 112.60 1sh0 s LEU 36 Ca 0.54 1.12 -0.32 0.00 -0.22 0.00 0.00 54.13 55.25 1sh0 s LEU 36 Cb -0.43 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.59 1sh0 s LEU 36 CO 0.52 -1.11 1.54 -2.65 -1.32 0.00 0.00 176.35 173.34 1sh0 n PRO 37 N 7.38 2.33 -1.59 0.98 -0.02 -1.26 -4.90 135.00 137.93 1sh0 n PRO 37 Ca 0.15 0.83 -0.46 0.00 -2.02 0.00 0.00 63.50 62.00 1sh0 n PRO 37 Cb 0.47 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 1sh0 n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sh0 n PRO 38 N 2.72 1.32 -0.14 0.52 -0.02 -1.26 -1.56 135.00 136.57 1sh0 n PRO 38 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1sh0 n PRO 38 Cb 0.32 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1sh0 n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sh0 n GLY 39 N 1.46 1.98 3.76 -1.23 0.00 -1.26 -5.03 105.19 104.88 1sh0 n GLY 39 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1sh0 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sh0 s THR 40 N -2.88 2.68 0.68 2.61 2.01 -0.60 -4.78 115.64 115.36 1sh0 s THR 40 Ca 0.00 0.65 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 1sh0 s THR 40 Cb 0.00 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 1sh0 s THR 40 CO 0.00 0.14 1.09 -1.22 -0.69 0.00 0.00 174.62 173.94 1sh0 n TYR 41 N 1.24 1.14 -4.24 4.92 4.02 -1.26 -4.66 117.16 118.31 1sh0 n TYR 41 Ca 0.02 0.41 -0.15 0.00 -0.01 0.00 0.00 57.90 58.17 1sh0 n TYR 41 Cb 0.41 -2.15 -0.10 0.00 -0.02 0.00 0.00 39.34 37.48 1sh0 n TYR 41 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1sh0 s GLU 42 N -3.28 1.04 0.30 -0.72 2.02 -0.46 -4.82 118.70 112.78 1sh0 s GLU 42 Ca 0.77 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1sh0 s GLU 42 Cb -0.37 -0.67 -0.13 0.00 0.10 0.00 0.00 34.13 33.07 1sh0 s GLU 42 CO 0.46 0.09 1.37 -2.30 0.02 0.00 0.00 175.26 174.90 1sh0 n PRO 43 N 0.00 2.18 -1.49 0.39 -0.02 -1.26 -0.26 135.00 134.55 1sh0 n PRO 43 Ca -0.12 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1sh0 n PRO 43 Cb 0.60 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.75 1sh0 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh0 n ALA 44 N 1.03 0.04 -1.34 3.55 0.00 0.19 -4.81 120.51 119.17 1sh0 n ALA 44 Ca 0.07 -0.10 -0.48 0.00 0.00 0.00 0.00 53.44 52.92 1sh0 n ALA 44 Cb 0.35 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1sh0 n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1sh0 n TYR 45 N -2.20 -0.08 0.78 0.00 9.36 -1.26 -4.92 117.16 118.84 1sh0 n TYR 45 Ca 0.14 0.94 0.09 0.00 3.32 0.00 0.00 57.90 62.39 1sh0 n TYR 45 Cb 0.49 -1.87 0.07 0.00 -0.63 0.00 0.00 39.34 37.40 1sh0 n TYR 45 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1sh0 n LEU 46 N 1.70 2.52 0.00 2.98 4.77 -1.26 -5.03 117.00 122.68 1sh0 n LEU 46 Ca 0.17 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1sh0 n LEU 46 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1sh0 n LEU 46 CO 0.54 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1sh0 n GLY 47 N 1.06 -0.87 0.00 -0.72 0.00 -1.26 -4.45 105.19 98.96 1sh0 n GLY 47 Ca 0.11 -2.14 0.05 0.00 0.00 0.00 0.00 46.02 44.04 1sh0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh0 n GLY 48 N 0.00 -0.63 0.03 -0.02 0.00 -1.26 -2.07 105.19 101.24 1sh0 n GLY 48 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sh0 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sh0 n LYS 49 N -1.31 1.89 -1.68 1.61 5.02 -1.26 -4.52 118.16 117.91 1sh0 n LYS 49 Ca 0.04 -1.25 -0.45 0.00 -2.02 0.00 0.00 58.31 54.63 1sh0 n LYS 49 Cb 0.08 -1.01 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1sh0 n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sh0 n ASP 50 N -0.31 3.61 0.08 4.39 -0.08 -0.88 -4.86 116.55 118.50 1sh0 n ASP 50 Ca 0.01 1.00 0.10 0.00 -1.51 0.00 0.00 54.79 54.39 1sh0 n ASP 50 Cb 0.19 -1.45 0.43 0.00 2.34 0.00 0.00 41.12 42.62 1sh0 n ASP 50 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1sh0 n PRO 51 N 5.58 0.13 0.10 -0.67 -0.04 -1.26 -2.61 135.00 136.22 1sh0 n PRO 51 Ca 0.20 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1sh0 n PRO 51 Cb 0.33 -1.73 0.17 0.00 -0.04 0.00 0.00 33.50 32.22 1sh0 n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sh0 h ARG 52 N 0.00 0.00 -4.06 0.54 3.08 -1.95 -3.45 114.38 108.54 1sh0 h ARG 52 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 1sh0 h ARG 52 Cb 0.33 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.03 1sh0 h ARG 52 CO 0.00 0.00 -0.78 0.08 -1.07 0.00 0.00 179.97 178.20 1sh0 s VAL 53 N -3.21 0.66 -0.64 2.04 1.01 -1.07 -5.00 120.40 114.19 1sh0 s VAL 53 Ca 0.05 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1sh0 s VAL 53 Cb 0.11 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.87 1sh0 s VAL 53 CO 0.71 0.27 0.92 -0.54 0.00 0.00 0.00 175.10 176.46 1sh0 s LYS 54 N 1.22 3.12 -0.32 2.72 1.02 -1.26 -4.20 119.74 122.03 1sh0 s LYS 54 Ca -0.06 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.07 1sh0 s LYS 54 Cb -0.14 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 1sh0 s LYS 54 CO -0.02 -1.74 0.27 0.41 -0.92 0.00 0.00 175.35 173.36 1sh0 n GLY 55 N 5.30 0.36 3.76 -3.33 0.00 -1.26 -5.04 105.19 104.98 1sh0 n GLY 55 Ca -0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1sh0 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sh0 s GLY 56 N -3.25 1.70 0.66 -0.02 0.00 -1.26 -5.03 107.32 100.12 1sh0 s GLY 56 Ca 0.06 -1.16 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 1sh0 s GLY 56 CO 0.19 -0.29 1.09 2.56 0.00 0.00 0.00 173.10 176.65 1sh0 s PRO 57 N -5.71 2.85 0.61 2.90 0.04 -1.26 -4.57 135.00 129.86 1sh0 s PRO 57 Ca 0.74 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1sh0 s PRO 57 Cb -0.05 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1sh0 s PRO 57 CO 0.55 -1.20 1.20 -1.54 0.04 0.00 0.00 177.00 176.05 1sh0 s SER 58 N -2.79 5.09 0.51 6.66 1.04 -1.26 -4.00 113.70 118.95 1sh0 s SER 58 Ca 0.65 2.36 0.18 0.00 0.48 0.00 0.00 55.95 59.62 1sh0 s SER 58 Cb -0.19 -2.59 1.30 0.00 0.10 0.00 0.00 66.02 64.64 1sh0 s SER 58 CO 0.43 -1.66 2.12 -0.07 0.98 0.00 0.00 173.24 175.05 1sh0 h LEU 59 N 0.71 0.00 -0.98 2.42 3.38 -1.94 -1.23 115.31 117.67 1sh0 h LEU 59 Ca -0.50 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1sh0 h LEU 59 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1sh0 h LEU 59 CO 0.54 0.05 0.06 1.56 0.09 0.00 0.00 178.44 180.75 1sh0 h GLN 60 N 0.00 0.80 -0.19 1.13 7.50 -1.95 0.11 115.11 122.51 1sh0 h GLN 60 Ca -0.00 -0.19 -0.06 0.00 0.50 0.00 0.00 58.65 58.91 1sh0 h GLN 60 Cb 0.10 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 1sh0 h GLN 60 CO 0.01 0.76 -0.10 0.37 -1.50 0.00 0.00 178.83 178.37 1sh0 h GLN 61 N 0.76 0.40 -0.92 1.46 -0.00 -1.63 -2.24 115.11 112.95 1sh0 h GLN 61 Ca 0.16 -0.18 0.08 0.00 -0.00 0.00 0.00 58.65 58.70 1sh0 h GLN 61 Cb 0.37 -0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.78 1sh0 h GLN 61 CO 0.01 0.71 0.59 0.28 0.00 0.00 0.00 178.83 180.42 1sh0 h VAL 62 N 0.09 1.03 -0.43 2.39 2.07 -1.01 -1.71 116.25 118.69 1sh0 h VAL 62 Ca 0.04 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1sh0 h VAL 62 Cb 0.60 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1sh0 h VAL 62 CO 0.03 0.18 -0.20 -0.03 0.02 0.00 0.00 177.57 177.58 1sh0 h MET 63 N 1.00 0.84 -0.64 1.57 1.85 -0.73 -3.04 114.93 115.78 1sh0 h MET 63 Ca 0.41 -0.33 0.06 0.00 -0.61 0.00 0.00 59.70 59.22 1sh0 h MET 63 Cb 0.27 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 32.20 1sh0 h MET 63 CO -0.16 0.97 0.34 0.00 -0.40 0.00 0.00 176.91 177.66 1sh0 h ARG 64 N 0.74 0.61 -0.61 0.39 3.08 -0.69 -1.50 114.38 116.39 1sh0 h ARG 64 Ca 0.10 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.23 1sh0 h ARG 64 Cb 0.72 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 1sh0 h ARG 64 CO 0.06 0.40 0.42 -0.44 -1.07 0.00 0.00 179.97 179.34 1sh0 h ASP 65 N 0.63 0.32 1.53 7.04 3.32 -1.32 -0.86 116.42 127.07 1sh0 h ASP 65 Ca 0.29 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1sh0 h ASP 65 Cb 0.21 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1sh0 h ASP 65 CO -0.20 0.19 -0.43 1.56 -1.72 0.00 0.00 179.24 178.64 1sh0 h GLN 66 N 0.35 0.00 0.03 3.56 1.08 -1.29 -3.33 115.11 115.52 1sh0 h GLN 66 Ca 0.29 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.27 1sh0 h GLN 66 Cb 0.66 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1sh0 h GLN 66 CO -0.08 0.43 -0.99 -0.07 -0.95 0.00 0.00 178.83 177.18 1sh0 h LEU 67 N 0.00 0.29 -0.38 1.46 3.38 -0.60 -3.37 115.31 116.09 1sh0 h LEU 67 Ca -0.00 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 57.78 1sh0 h LEU 67 Cb 1.31 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1sh0 h LEU 67 CO 0.06 1.11 -0.09 0.11 0.09 0.00 0.00 178.44 179.71 1sh0 h LYS 68 N 0.10 -0.00 -0.40 1.13 6.56 -1.63 -0.85 116.57 121.48 1sh0 h LYS 68 Ca -0.06 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.64 1sh0 h LYS 68 Cb 1.66 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.31 1sh0 h LYS 68 CO 0.15 -0.00 0.44 -1.35 -2.06 0.00 0.00 179.45 176.63 1sh0 h PRO 69 N -0.00 0.00 0.00 3.15 0.11 -1.79 -1.19 132.00 132.28 1sh0 h PRO 69 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1sh0 h PRO 69 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1sh0 h PRO 69 CO -0.39 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 178.14 1sh0 h PHE 70 N 0.00 0.00 -0.01 0.65 0.04 -1.36 -3.31 116.94 112.95 1sh0 h PHE 70 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1sh0 h PHE 70 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1sh0 h PHE 70 CO 0.00 0.00 -0.39 0.25 -0.60 0.00 0.00 178.31 177.57 1sh0 n THR 71 N -3.03 0.00 -1.44 -1.55 -2.24 -0.53 -4.36 114.28 101.13 1sh0 n THR 71 Ca 0.04 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 1sh0 n THR 71 Cb 0.51 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.90 1sh0 n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sh0 s GLU 72 N -1.81 2.33 0.55 -0.78 8.01 -0.71 -4.96 118.70 121.32 1sh0 s GLU 72 Ca 0.08 1.42 -0.21 0.00 0.01 0.00 0.00 54.97 56.27 1sh0 s GLU 72 Cb 0.10 -1.89 -0.05 0.00 -4.31 0.00 0.00 34.13 27.97 1sh0 s GLU 72 CO 0.39 -1.62 1.23 -2.30 0.01 0.00 0.00 175.26 172.97 1sh0 n PRO 73 N -2.98 1.46 -1.51 0.39 -0.02 -1.26 -4.98 135.00 126.10 1sh0 n PRO 73 Ca 0.11 0.54 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 1sh0 n PRO 73 Cb 0.52 -2.42 0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1sh0 n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sh0 s ARG 74 N -2.77 2.79 0.25 -0.52 1.81 -1.26 -5.08 118.95 114.16 1sh0 s ARG 74 Ca 0.72 1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 55.70 1sh0 s ARG 74 Cb -0.43 -1.97 0.06 0.00 -0.45 0.00 0.00 34.95 32.16 1sh0 s ARG 74 CO 0.49 -1.22 0.24 0.41 -0.68 0.00 0.00 175.30 174.54 1sh0 n GLY 75 N -1.79 -2.24 3.80 -3.53 0.00 -1.26 -4.94 105.19 95.22 1sh0 n GLY 75 Ca 0.08 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 1sh0 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sh0 s LYS 76 N -3.54 4.08 0.68 1.61 2.20 0.55 -4.83 119.74 120.49 1sh0 s LYS 76 Ca 0.15 0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 56.04 1sh0 s LYS 76 Cb -0.01 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1sh0 s LYS 76 CO 0.11 0.51 1.12 -1.25 -0.36 0.00 0.00 175.35 175.48 1sh0 s PRO 77 N -0.51 2.68 0.64 4.03 0.04 -1.26 -3.94 135.00 136.68 1sh0 s PRO 77 Ca 0.24 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1sh0 s PRO 77 Cb -0.16 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1sh0 s PRO 77 CO 0.12 -1.35 1.07 -2.30 0.04 0.00 0.00 177.00 174.58 1sh0 n PRO 78 N -2.54 0.87 -1.18 0.56 -0.02 -1.26 -4.82 135.00 126.61 1sh0 n PRO 78 Ca 0.11 0.35 -0.48 0.00 -2.02 0.00 0.00 63.50 61.45 1sh0 n PRO 78 Cb 0.52 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1sh0 n PRO 78 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sh0 n LYS 79 N -1.50 0.00 -0.31 -0.52 4.81 -1.26 -4.66 118.16 114.72 1sh0 n LYS 79 Ca 0.14 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.69 1sh0 n LYS 79 Cb 0.48 -1.10 0.28 0.00 0.02 0.00 0.00 35.03 34.70 1sh0 n LYS 79 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1sh0 h PRO 80 N 4.52 0.55 0.00 1.64 0.11 -2.00 0.59 132.00 137.41 1sh0 h PRO 80 Ca -0.25 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 1sh0 h PRO 80 Cb 1.02 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1sh0 h PRO 80 CO 0.74 0.36 -0.30 0.66 -0.21 0.00 0.00 178.00 179.25 1sh0 h SER 81 N 0.56 0.00 0.34 -2.05 4.64 -2.00 -2.05 113.55 112.99 1sh0 h SER 81 Ca 0.52 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.52 1sh0 h SER 81 Cb 0.87 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1sh0 h SER 81 CO -0.43 0.30 -1.43 -0.37 -0.87 0.00 0.00 176.83 174.03 1sh0 h VAL 82 N 0.00 1.33 -0.94 0.95 -1.51 -1.28 -2.35 116.25 112.44 1sh0 h VAL 82 Ca -0.00 -2.78 0.04 0.00 -1.23 0.00 0.00 66.70 62.74 1sh0 h VAL 82 Cb 0.59 3.02 -0.06 0.00 -2.13 0.00 0.00 31.29 32.71 1sh0 h VAL 82 CO 0.04 0.83 0.61 0.25 -1.23 0.00 0.00 177.57 178.07 1sh0 h LEU 83 N 0.14 1.00 -0.32 4.19 5.85 -1.08 0.27 115.31 125.36 1sh0 h LEU 83 Ca -0.23 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 1sh0 h LEU 83 Cb 2.13 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1sh0 h LEU 83 CO 0.26 0.67 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.85 1sh0 h GLU 84 N 1.16 0.64 -0.47 1.25 4.57 -1.43 -1.40 114.58 118.90 1sh0 h GLU 84 Ca 0.39 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1sh0 h GLU 84 Cb 0.05 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1sh0 h GLU 84 CO -0.14 0.83 0.09 0.00 -1.18 0.00 0.00 179.01 178.62 1sh0 h ALA 85 N 0.79 0.63 -0.92 2.92 0.00 -1.12 -1.46 119.26 120.09 1sh0 h ALA 85 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1sh0 h ALA 85 Cb 0.61 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1sh0 h ALA 85 CO 0.04 0.34 0.54 0.00 0.00 0.00 0.00 179.25 180.17 1sh0 h ALA 86 N 0.97 1.18 -0.77 0.00 0.00 -0.42 0.13 119.26 120.35 1sh0 h ALA 86 Ca 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sh0 h ALA 86 Cb 0.37 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1sh0 h ALA 86 CO 0.01 0.65 0.28 -0.22 0.00 0.00 0.00 179.25 179.96 1sh0 h LYS 87 N 1.28 1.17 -0.19 0.00 3.64 -1.13 -1.59 116.57 119.74 1sh0 h LYS 87 Ca 0.33 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1sh0 h LYS 87 Cb -0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1sh0 h LYS 87 CO -0.06 0.97 0.09 -0.22 -2.27 0.00 0.00 179.45 177.96 1sh0 h LYS 88 N 1.13 0.28 -0.51 1.90 3.64 -0.57 -1.16 116.57 121.28 1sh0 h LYS 88 Ca 0.25 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1sh0 h LYS 88 Cb 0.26 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 1sh0 h LYS 88 CO -0.01 0.32 0.22 1.15 -2.27 0.00 0.00 179.45 178.85 1sh0 h THR 89 N 0.17 0.88 -0.22 1.00 2.02 -0.51 0.48 112.91 116.73 1sh0 h THR 89 Ca 0.07 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1sh0 h THR 89 Cb 0.13 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1sh0 h THR 89 CO -0.01 0.08 0.05 0.40 0.37 0.00 0.00 175.52 176.41 1sh0 h ILE 90 N 0.42 1.21 -0.63 3.11 2.04 -1.19 -0.93 117.51 121.54 1sh0 h ILE 90 Ca 0.24 -0.69 0.09 0.00 1.00 0.00 0.00 64.86 65.51 1sh0 h ILE 90 Cb 0.22 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 1sh0 h ILE 90 CO -0.21 0.22 0.26 0.40 0.00 0.00 0.00 178.15 178.82 1sh0 h ILE 91 N 0.17 0.80 -0.25 -0.67 2.04 -0.79 -0.37 117.51 118.44 1sh0 h ILE 91 Ca 0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1sh0 h ILE 91 Cb 0.28 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1sh0 h ILE 91 CO 0.00 0.08 0.11 0.78 0.00 0.00 0.00 178.15 179.12 1sh0 h ASN 92 N 0.46 0.33 -0.40 1.72 -0.26 -0.65 0.26 115.58 117.05 1sh0 h ASN 92 Ca 0.31 -0.15 0.05 0.00 -0.56 0.00 0.00 56.30 55.96 1sh0 h ASN 92 Cb 0.37 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.49 1sh0 h ASN 92 CO -0.29 0.39 0.12 0.58 -1.06 0.00 0.00 177.43 177.18 1sh0 h VAL 93 N 0.25 0.86 -0.46 2.81 2.07 -0.76 -2.33 116.25 118.69 1sh0 h VAL 93 Ca 0.08 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1sh0 h VAL 93 Cb 0.16 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1sh0 h VAL 93 CO -0.01 0.05 -0.09 -0.07 0.02 0.00 0.00 177.57 177.47 1sh0 h LEU 94 N 0.27 0.88 -1.88 2.57 3.38 -0.77 -2.68 115.31 117.09 1sh0 h LEU 94 Ca 0.19 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.90 1sh0 h LEU 94 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sh0 h LEU 94 CO -0.20 1.03 0.29 -0.33 0.09 0.00 0.00 178.44 179.31 1sh0 h GLU 95 N 0.72 0.13 -0.02 1.13 5.08 -0.27 0.24 114.58 121.59 1sh0 h GLU 95 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sh0 h GLU 95 Cb 0.63 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sh0 h GLU 95 CO 0.04 0.09 -0.11 1.04 -1.00 0.00 0.00 179.01 179.07 1sh0 n GLN 96 N -4.45 1.82 0.02 2.33 6.02 -0.90 -4.58 117.38 117.64 1sh0 n GLN 96 Ca 0.06 -1.39 -0.01 0.00 -0.01 0.00 0.00 57.00 55.65 1sh0 n GLN 96 Cb 0.40 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.18 1sh0 n GLN 96 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1sh0 n THR 97 N 0.63 0.72 -3.87 5.09 -1.04 -0.75 -5.08 114.28 109.98 1sh0 n THR 97 Ca 0.14 0.20 -0.31 0.00 -2.04 0.00 0.00 64.05 62.04 1sh0 n THR 97 Cb 0.49 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.37 1sh0 n THR 97 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sh0 s ILE 98 N -2.05 5.35 0.44 12.58 -4.36 -0.00 -5.09 121.20 128.07 1sh0 s ILE 98 Ca -0.02 -0.28 -0.06 0.00 -0.26 0.00 0.00 60.65 60.03 1sh0 s ILE 98 Cb 0.01 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 40.05 1sh0 s ILE 98 CO 0.03 0.14 0.75 -1.81 0.24 0.00 0.00 174.94 174.30 1sh0 s ASP 99 N -2.42 6.35 -0.00 4.36 1.01 -1.26 -4.77 116.67 119.93 1sh0 s ASP 99 Ca 0.35 0.94 -0.36 0.00 0.71 0.00 0.00 52.55 54.19 1sh0 s ASP 99 Cb -0.13 -2.25 -0.14 0.00 1.01 0.00 0.00 42.92 41.41 1sh0 s ASP 99 CO 0.26 -0.49 1.62 -2.65 0.21 0.00 0.00 175.17 174.13 1sh0 n PRO 100 N -1.88 1.71 -2.39 8.23 -0.02 -1.26 -4.95 135.00 134.44 1sh0 n PRO 100 Ca 0.01 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 1sh0 n PRO 100 Cb 0.55 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1sh0 n PRO 100 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1sh0 s PRO 101 N 2.09 3.59 0.65 0.52 0.02 -1.26 -5.03 135.00 135.58 1sh0 s PRO 101 Ca 0.87 1.45 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 1sh0 s PRO 101 Cb -0.83 -2.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.63 1sh0 s PRO 101 CO 0.49 -0.63 1.24 -0.51 -0.33 0.00 0.00 177.00 177.26 1sh0 s ASP 102 N -1.95 4.69 0.47 2.53 1.01 -1.26 -4.49 116.67 117.66 1sh0 s ASP 102 Ca 0.69 2.47 -0.22 0.00 0.71 0.00 0.00 52.55 56.20 1sh0 s ASP 102 Cb -0.19 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.06 1sh0 s ASP 102 CO 0.24 -1.94 1.14 -0.54 0.21 0.00 0.00 175.17 174.28 1sh0 s LYS 103 N -3.51 3.73 -0.19 8.23 1.02 -1.26 -4.38 119.74 123.38 1sh0 s LYS 103 Ca 0.79 1.69 -0.05 0.00 0.02 0.00 0.00 55.97 58.42 1sh0 s LYS 103 Cb -0.33 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1sh0 s LYS 103 CO 0.39 -0.56 0.00 -1.58 -0.92 0.00 0.00 175.35 172.68 1sh0 s TRP 104 N -1.62 3.06 0.95 3.18 0.52 -1.26 -4.97 118.94 118.80 1sh0 s TRP 104 Ca 0.65 -0.36 -0.14 0.00 0.02 0.00 0.00 56.10 56.27 1sh0 s TRP 104 Cb -0.26 -2.06 0.16 0.00 -1.15 0.00 0.00 33.47 30.16 1sh0 s TRP 104 CO 0.32 -0.16 1.15 -1.54 0.02 0.00 0.00 176.95 176.74 1sh0 s SER 105 N 0.81 3.12 0.23 2.95 1.04 -1.26 -4.83 113.70 115.76 1sh0 s SER 105 Ca 0.01 0.85 -0.08 0.00 0.48 0.00 0.00 55.95 57.21 1sh0 s SER 105 Cb -0.14 -1.33 0.20 0.00 0.10 0.00 0.00 66.02 64.85 1sh0 s SER 105 CO 0.02 -2.78 1.89 0.15 0.98 0.00 0.00 173.24 173.50 1sh0 h PHE 106 N -1.66 1.13 -0.51 5.02 3.57 -1.99 -1.05 116.94 121.45 1sh0 h PHE 106 Ca -0.49 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 60.98 1sh0 h PHE 106 Cb 1.32 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1sh0 h PHE 106 CO -0.16 0.73 0.16 0.00 -2.23 0.00 0.00 178.31 176.81 1sh0 h ALA 107 N 1.31 0.66 -0.54 2.41 0.00 -1.93 -1.02 119.26 120.15 1sh0 h ALA 107 Ca 0.32 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1sh0 h ALA 107 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1sh0 h ALA 107 CO -0.07 0.32 0.01 1.96 0.00 0.00 0.00 179.25 181.47 1sh0 h GLN 108 N 0.69 0.92 -0.33 0.00 4.20 -1.89 -1.54 115.11 117.15 1sh0 h GLN 108 Ca 0.16 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1sh0 h GLN 108 Cb 0.27 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1sh0 h GLN 108 CO -0.01 0.91 0.13 0.00 -0.67 0.00 0.00 178.83 179.19 1sh0 h ALA 109 N 1.15 0.44 -0.13 3.87 0.00 -0.90 -2.32 119.26 121.37 1sh0 h ALA 109 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sh0 h ALA 109 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sh0 h ALA 109 CO 0.02 0.04 0.04 0.00 0.00 0.00 0.00 179.25 179.35 1sh0 h ALA 111 N 0.84 1.97 0.00 0.00 0.00 -1.26 -2.38 119.26 118.43 1sh0 h ALA 111 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1sh0 h ALA 111 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1sh0 h ALA 111 CO -0.00 -0.05 -0.23 0.66 0.00 0.00 0.00 179.25 179.62 1sh0 h SER 112 N 0.34 0.00 -3.90 0.00 4.64 -1.28 -3.46 113.55 109.90 1sh0 h SER 112 Ca 0.19 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.01 1sh0 h SER 112 Cb 0.32 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1sh0 h SER 112 CO -0.04 0.23 0.47 -0.76 -0.87 0.00 0.00 176.83 175.86 1sh0 s LEU 113 N -7.39 4.30 0.02 5.97 1.43 -0.90 -4.96 118.68 117.15 1sh0 s LEU 113 Ca -0.02 2.25 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 1sh0 s LEU 113 Cb 0.13 -3.93 -0.08 0.00 0.03 0.00 0.00 46.19 42.34 1sh0 s LEU 113 CO 0.64 -0.45 1.86 -0.62 0.23 0.00 0.00 176.35 178.02 1sh0 s ASP 114 N -1.15 6.51 0.01 2.29 -1.08 -1.26 -4.89 116.67 117.10 1sh0 s ASP 114 Ca 0.53 2.55 0.26 0.00 -0.52 0.00 0.00 52.55 55.37 1sh0 s ASP 114 Cb -0.29 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.40 1sh0 s ASP 114 CO 0.37 -1.01 1.60 0.29 0.52 0.00 0.00 175.17 176.94 1sh0 n LYS 115 N 7.28 0.02 0.00 4.34 4.76 -1.26 -3.85 118.16 129.44 1sh0 n LYS 115 Ca 0.19 0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.76 1sh0 n LYS 115 Cb 0.41 -1.51 0.33 0.00 -1.84 0.00 0.00 35.03 32.42 1sh0 n LYS 115 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sh0 n THR 116 N -1.54 0.00 -3.82 -0.18 -2.24 -1.26 -0.72 114.28 104.51 1sh0 n THR 116 Ca 0.06 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1sh0 n THR 116 Cb 0.34 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1sh0 n THR 116 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sh0 s THR 117 N -2.97 2.62 0.63 4.28 -4.23 -1.25 -4.83 115.64 109.89 1sh0 s THR 117 Ca 0.12 -1.50 -0.16 0.00 -1.18 0.00 0.00 61.69 58.98 1sh0 s THR 117 Cb 0.18 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1sh0 s THR 117 CO 0.66 -0.03 1.10 -0.55 -0.54 0.00 0.00 174.62 175.26 1sh0 s SER 118 N -4.02 5.31 0.00 3.99 0.15 -1.26 -1.40 113.70 116.47 1sh0 s SER 118 Ca 0.44 1.98 0.29 0.00 0.70 0.00 0.00 55.95 59.37 1sh0 s SER 118 Cb -0.01 -2.55 1.34 0.00 -1.71 0.00 0.00 66.02 63.10 1sh0 s SER 118 CO 0.25 -1.49 1.94 -1.54 1.20 0.00 0.00 173.24 173.60 1sh0 n SER 119 N -2.22 0.26 0.00 5.45 3.41 0.11 -4.78 113.62 115.85 1sh0 n SER 119 Ca 0.10 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1sh0 n SER 119 Cb 0.52 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1sh0 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh0 n GLY 120 N 1.29 0.26 3.75 5.00 0.00 -1.26 -0.18 105.19 114.05 1sh0 n GLY 120 Ca 0.14 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1sh0 n GLY 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sh0 n HIS 121 N 0.00 2.81 0.92 1.61 -0.00 -1.26 -0.34 115.22 118.96 1sh0 n HIS 121 Ca 0.00 0.38 0.10 0.00 -0.00 0.00 0.00 57.72 58.20 1sh0 n HIS 121 Cb 0.00 -2.54 0.03 0.00 -0.00 0.00 0.00 29.99 27.48 1sh0 n HIS 121 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1sh0 n PRO 122 N 1.27 1.61 0.09 1.57 -0.04 -1.26 -4.26 135.00 133.99 1sh0 n PRO 122 Ca 0.05 -1.27 0.07 0.00 -0.04 0.00 0.00 63.50 62.32 1sh0 n PRO 122 Cb 0.37 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 1sh0 n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sh0 h HIS 123 N 3.03 0.00 -6.79 0.54 3.86 -1.80 -3.49 115.15 110.50 1sh0 h HIS 123 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1sh0 h HIS 123 Cb 0.78 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.11 1sh0 h HIS 123 CO 0.00 0.23 -0.92 0.72 0.86 0.00 0.00 177.93 178.82 1sh0 n HIS 124 N -2.82 -1.47 -4.45 2.45 8.25 0.54 -4.96 115.22 112.76 1sh0 n HIS 124 Ca -0.03 0.69 -0.32 0.00 -0.26 0.00 0.00 57.72 57.80 1sh0 n HIS 124 Cb 0.66 -3.22 -0.10 0.00 1.12 0.00 0.00 29.99 28.45 1sh0 n HIS 124 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1sh0 s MET 125 N -6.96 2.54 0.14 -0.41 -1.94 -1.26 -4.80 119.30 106.61 1sh0 s MET 125 Ca 0.09 -0.73 -0.33 0.00 -1.71 0.00 0.00 55.69 53.00 1sh0 s MET 125 Cb -0.05 -2.49 -0.13 0.00 2.01 0.00 0.00 34.83 34.17 1sh0 s MET 125 CO 0.94 0.60 1.67 -2.13 -0.01 0.00 0.00 175.02 176.09 1sh0 n ARG 126 N 1.52 2.36 -0.28 2.03 0.63 -1.26 0.06 116.66 121.72 1sh0 n ARG 126 Ca -0.15 0.85 -0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1sh0 n ARG 126 Cb 0.52 -2.66 0.20 0.00 0.45 0.00 0.00 32.46 30.97 1sh0 n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1sh0 h LYS 127 N 6.76 1.11 0.00 -0.14 1.57 -1.28 -2.39 116.57 122.21 1sh0 h LYS 127 Ca -0.45 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1sh0 h LYS 127 Cb 1.24 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1sh0 h LYS 127 CO 0.92 0.74 -0.15 -0.97 -0.57 0.00 0.00 179.45 179.41 1sh0 h ASN 128 N 1.15 0.00 -0.16 0.86 -1.24 -1.20 -2.78 115.58 112.20 1sh0 h ASN 128 Ca 0.31 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.29 1sh0 h ASN 128 Cb -0.12 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1sh0 h ASN 128 CO -0.07 0.15 0.02 0.44 -1.29 0.00 0.00 177.43 176.69 1sh0 h ASP 129 N 0.00 0.34 -0.39 1.15 3.32 -1.71 -2.88 116.42 116.26 1sh0 h ASP 129 Ca -0.00 -0.05 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 1sh0 h ASP 129 Cb 0.38 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 39.71 1sh0 h ASP 129 CO 0.02 0.39 -0.17 0.00 -1.72 0.00 0.00 179.24 177.76 1sh0 s TRP 131 N -3.32 2.90 -2.17 0.00 -0.11 -1.09 -0.16 118.94 114.99 1sh0 s TRP 131 Ca 0.46 -0.90 0.20 0.00 1.22 0.00 0.00 56.10 57.08 1sh0 s TRP 131 Cb 0.41 -2.00 0.37 0.00 -1.50 0.00 0.00 33.47 30.75 1sh0 s TRP 131 CO -0.01 -0.46 1.32 0.27 -4.62 0.00 0.00 176.95 173.45 1sh0 n ASN 132 N 4.35 3.24 0.00 5.86 6.94 -0.89 -4.97 115.26 129.80 1sh0 n ASN 132 Ca -0.18 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 1sh0 n ASN 132 Cb 0.51 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1sh0 n ASN 132 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sh0 n GLY 133 N 1.29 3.24 0.00 4.83 0.00 -1.26 -4.82 105.19 108.46 1sh0 n GLY 133 Ca 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1sh0 n GLY 133 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sh0 n GLU 134 N 0.00 3.18 -3.80 1.61 0.28 -1.26 -5.04 120.64 115.60 1sh0 n GLU 134 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1sh0 n GLU 134 Cb 0.00 -0.57 -0.08 0.00 1.43 0.00 0.00 31.44 32.23 1sh0 n GLU 134 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1sh0 s SER 135 N -0.87 -0.03 0.53 -1.84 1.04 -1.26 -4.77 113.70 106.50 1sh0 s SER 135 Ca 0.00 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 55.91 1sh0 s SER 135 Cb 0.00 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.38 1sh0 s SER 135 CO 0.00 -0.61 1.12 -0.36 0.98 0.00 0.00 173.24 174.38 1sh0 s PHE 136 N -2.73 2.73 -0.06 5.02 0.08 -1.26 -2.09 117.98 119.68 1sh0 s PHE 136 Ca -0.04 1.55 0.07 0.00 0.12 0.00 0.00 56.93 58.63 1sh0 s PHE 136 Cb -0.00 -3.28 -0.10 0.00 -0.57 0.00 0.00 43.02 39.07 1sh0 s PHE 136 CO -0.05 -1.48 0.06 -2.37 -0.10 0.00 0.00 175.22 171.28 1sh0 n THR 137 N -1.16 0.39 0.00 0.64 5.66 0.77 -4.28 114.28 116.30 1sh0 n THR 137 Ca 0.11 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1sh0 n THR 137 Cb 0.51 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1sh0 n THR 137 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sh0 n GLY 138 N 2.43 2.17 0.21 1.09 0.00 -1.26 -4.76 105.19 105.07 1sh0 n GLY 138 Ca -0.10 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.82 1sh0 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sh0 h LYS 139 N 0.00 0.00 -0.06 1.61 1.57 -1.97 -2.34 116.57 115.39 1sh0 h LYS 139 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1sh0 h LYS 139 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1sh0 h LYS 139 CO 0.00 0.29 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.52 1sh0 h LEU 140 N 0.00 0.21 -0.62 2.94 3.38 -1.92 -1.83 115.31 117.47 1sh0 h LEU 140 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1sh0 h LEU 140 Cb 0.58 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1sh0 h LEU 140 CO 0.04 0.74 0.20 0.00 0.09 0.00 0.00 178.44 179.51 1sh0 h ALA 141 N 1.26 0.82 -0.10 1.53 0.00 -1.62 -1.75 119.26 119.40 1sh0 h ALA 141 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sh0 h ALA 141 Cb 1.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1sh0 h ALA 141 CO 0.09 0.49 0.04 -0.44 0.00 0.00 0.00 179.25 179.42 1sh0 h ASP 142 N 0.90 0.14 -0.53 0.00 3.32 -1.14 -0.13 116.42 118.98 1sh0 h ASP 142 Ca 0.20 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1sh0 h ASP 142 Cb 0.29 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1sh0 h ASP 142 CO -0.01 0.28 0.08 -0.61 -1.72 0.00 0.00 179.24 177.26 1sh0 h GLN 143 N -0.00 0.88 -0.20 3.56 4.15 -1.36 -2.38 115.11 119.76 1sh0 h GLN 143 Ca 0.03 -0.24 -0.20 0.00 0.77 0.00 0.00 58.65 59.01 1sh0 h GLN 143 Cb 0.18 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1sh0 h GLN 143 CO -0.00 0.86 -0.67 0.00 -1.93 0.00 0.00 178.83 177.09 1sh0 h ALA 144 N 0.98 0.43 -0.32 3.38 0.00 -1.25 -2.02 119.26 120.45 1sh0 h ALA 144 Ca 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1sh0 h ALA 144 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1sh0 h ALA 144 CO 0.01 0.69 0.10 0.77 0.00 0.00 0.00 179.25 180.82 1sh0 h SER 145 N 0.56 0.47 -0.33 0.00 0.02 -1.03 -0.84 113.55 112.39 1sh0 h SER 145 Ca -0.02 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1sh0 h SER 145 Cb 1.28 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1sh0 h SER 145 CO 0.14 0.55 0.11 0.50 -1.14 0.00 0.00 176.83 176.99 1sh0 h LYS 146 N 0.37 0.24 -0.55 3.45 1.63 -1.43 -1.52 116.57 118.76 1sh0 h LYS 146 Ca 0.10 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1sh0 h LYS 146 Cb 0.25 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1sh0 h LYS 146 CO -0.00 0.16 0.19 0.00 -3.45 0.00 0.00 179.45 176.34 1sh0 h ALA 147 N 1.22 1.29 -0.29 5.00 0.00 -1.20 -1.32 119.26 123.96 1sh0 h ALA 147 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sh0 h ALA 147 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sh0 h ALA 147 CO -0.16 0.52 0.11 -0.97 0.00 0.00 0.00 179.25 178.75 1sh0 h ASN 148 N 0.80 0.40 -0.60 0.00 -1.24 -0.73 -1.26 115.58 112.95 1sh0 h ASN 148 Ca 0.19 -0.17 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 1sh0 h ASN 148 Cb 0.21 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 1sh0 h ASN 148 CO -0.01 0.46 0.25 -0.07 -1.29 0.00 0.00 177.43 176.76 1sh0 h LEU 149 N 0.32 0.83 -1.13 0.34 3.38 -0.97 -1.33 115.31 116.75 1sh0 h LEU 149 Ca 0.10 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1sh0 h LEU 149 Cb 0.18 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1sh0 h LEU 149 CO -0.01 0.77 0.59 0.24 0.09 0.00 0.00 178.44 180.12 1sh0 h MET 150 N 0.84 1.17 -0.51 1.13 2.86 -1.13 0.14 114.93 119.44 1sh0 h MET 150 Ca 0.20 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1sh0 h MET 150 Cb 0.20 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1sh0 h MET 150 CO -0.02 0.78 0.16 0.35 1.06 0.00 0.00 176.91 179.24 1sh0 h PHE 151 N 1.20 0.82 -0.50 -0.22 3.57 -0.88 -2.77 116.94 118.17 1sh0 h PHE 151 Ca 0.32 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1sh0 h PHE 151 Cb -0.14 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 1sh0 h PHE 151 CO 0.00 0.71 -0.07 0.93 -2.23 0.00 0.00 178.31 177.65 1sh0 h GLU 152 N 0.69 0.92 -7.58 1.11 5.08 -0.38 -3.42 114.58 111.01 1sh0 h GLU 152 Ca 0.16 -0.33 -0.47 0.00 -1.00 0.00 0.00 59.36 57.73 1sh0 h GLU 152 Cb 0.27 -0.06 0.11 0.00 0.50 0.00 0.00 28.75 29.57 1sh0 h GLU 152 CO -0.01 0.98 0.38 -1.21 -1.00 0.00 0.00 179.01 178.16 1sh0 s GLU 153 N -4.89 1.70 -0.48 2.33 2.02 0.42 -4.97 118.70 114.85 1sh0 s GLU 153 Ca -0.12 0.16 -0.02 0.00 0.02 0.00 0.00 54.97 55.01 1sh0 s GLU 153 Cb 0.12 -1.92 0.27 0.00 0.10 0.00 0.00 34.13 32.70 1sh0 s GLU 153 CO 0.84 -1.78 2.13 0.41 0.02 0.00 0.00 175.26 176.88 1sh0 n GLY 154 N -3.00 4.76 3.79 -1.39 0.00 -1.26 -4.78 105.19 103.32 1sh0 n GLY 154 Ca 0.08 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1sh0 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh0 s LYS 155 N -2.55 3.89 0.40 1.61 -0.14 -1.05 -4.95 119.74 116.96 1sh0 s LYS 155 Ca 0.46 -0.11 -0.25 0.00 -1.36 0.00 0.00 55.97 54.71 1sh0 s LYS 155 Cb 0.36 -3.32 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 1sh0 s LYS 155 CO -0.06 0.50 1.15 -0.80 -0.76 0.00 0.00 175.35 175.37 1sh0 s ASN 156 N -0.24 6.53 -0.01 2.83 -0.87 -1.26 -4.64 114.94 117.27 1sh0 s ASN 156 Ca 0.13 2.29 0.00 0.00 -1.57 0.00 0.00 52.86 53.70 1sh0 s ASN 156 Cb -0.12 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.52 1sh0 s ASN 156 CO 0.02 -0.67 0.01 -0.04 -2.57 0.00 0.00 177.10 173.85 1sh0 s MET 157 N -2.36 0.08 -0.27 -0.60 -1.94 -1.26 -5.12 119.30 107.82 1sh0 s MET 157 Ca 0.58 0.07 -0.29 0.00 -1.71 0.00 0.00 55.69 54.33 1sh0 s MET 157 Cb -0.29 -0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.34 1sh0 s MET 157 CO 0.36 -0.08 1.15 0.99 -0.01 0.00 0.00 175.02 177.44 1sh0 s THR 158 N 0.57 4.42 0.30 2.05 2.01 -1.26 -4.87 115.64 118.87 1sh0 s THR 158 Ca -0.05 1.66 -0.29 0.00 0.31 0.00 0.00 61.69 63.32 1sh0 s THR 158 Cb -0.07 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.07 1sh0 s THR 158 CO -0.01 -0.36 1.39 -2.84 -0.69 0.00 0.00 174.62 172.10 1sh0 s PRO 159 N 3.65 4.28 -0.21 4.92 0.02 -1.26 -5.00 135.00 141.40 1sh0 s PRO 159 Ca 0.49 2.31 0.02 0.00 0.02 0.00 0.00 61.00 63.84 1sh0 s PRO 159 Cb -0.15 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.33 1sh0 s PRO 159 CO 0.15 -0.34 -0.16 0.08 -0.33 0.00 0.00 177.00 176.41 1sh0 s VAL 160 N -0.67 2.09 0.25 3.83 1.01 -1.26 -4.12 120.40 121.53 1sh0 s VAL 160 Ca 0.54 -1.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1sh0 s VAL 160 Cb -0.42 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 1sh0 s VAL 160 CO 0.51 0.28 0.53 -0.31 0.00 0.00 0.00 175.10 176.11 1sh0 s TYR 161 N 1.21 3.46 -0.27 5.22 2.02 0.11 -3.15 117.35 125.95 1sh0 s TYR 161 Ca -0.01 0.73 -0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1sh0 s TYR 161 Cb -0.16 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1sh0 s TYR 161 CO -0.09 0.24 -0.02 0.99 -1.57 0.00 0.00 175.55 175.09 1sh0 s THR 162 N -1.93 3.08 0.10 -0.71 2.01 0.15 -0.53 115.64 117.80 1sh0 s THR 162 Ca 0.45 -1.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 1sh0 s THR 162 Cb -0.11 -2.64 -0.08 0.00 0.01 0.00 0.00 72.50 69.68 1sh0 s THR 162 CO 0.26 0.08 1.47 -0.83 -0.69 0.00 0.00 174.62 174.91 1sh0 s GLY 163 N 1.33 1.79 0.28 4.40 0.00 -0.37 -0.49 107.32 114.25 1sh0 s GLY 163 Ca -0.01 1.15 0.02 0.00 0.00 0.00 0.00 44.72 45.88 1sh0 s GLY 163 CO -0.02 2.53 0.13 0.00 0.00 0.00 0.00 173.10 175.74 1sh0 s ALA 164 N 1.59 1.78 -0.08 3.20 0.00 -0.74 -4.92 121.76 122.59 1sh0 s ALA 164 Ca 0.67 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1sh0 s ALA 164 Cb -0.38 1.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 1sh0 s ALA 164 CO 0.30 -0.50 -0.21 -0.51 0.00 0.00 0.00 175.76 174.84 1sh0 s LEU 165 N -3.33 1.99 -0.18 0.00 1.43 -1.26 -1.14 118.68 116.20 1sh0 s LEU 165 Ca 0.37 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1sh0 s LEU 165 Cb 0.06 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1sh0 s LEU 165 CO 0.16 0.15 1.58 -0.75 0.23 0.00 0.00 176.35 177.72 1sh0 s LYS 166 N 0.26 3.93 -0.47 1.70 2.20 0.96 -4.93 119.74 123.39 1sh0 s LYS 166 Ca -0.13 1.78 -0.29 0.00 -0.36 0.00 0.00 55.97 56.97 1sh0 s LYS 166 Cb -0.16 -3.99 0.02 0.00 -1.51 0.00 0.00 37.83 32.19 1sh0 s LYS 166 CO 0.06 -1.12 1.26 0.34 -0.36 0.00 0.00 175.35 175.53 1sh0 s ASP 167 N 3.76 6.48 0.17 1.43 2.15 -1.26 -4.53 116.67 124.86 1sh0 s ASP 167 Ca 0.70 0.55 -0.24 0.00 0.43 0.00 0.00 52.55 53.99 1sh0 s ASP 167 Cb -0.26 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.87 1sh0 s ASP 167 CO 0.28 -1.37 0.79 -1.83 -0.17 0.00 0.00 175.17 172.87 1sh0 s GLU 168 N 4.74 1.33 0.04 4.34 -1.05 -1.26 -4.98 118.70 121.86 1sh0 s GLU 168 Ca 0.53 -0.65 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 1sh0 s GLU 168 Cb -0.10 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1sh0 s GLU 168 CO 0.31 -0.60 1.00 -0.51 0.95 0.00 0.00 175.26 176.41 1sh0 s LEU 169 N -2.81 4.41 0.08 1.83 1.43 -1.26 -0.63 118.68 121.73 1sh0 s LEU 169 Ca 0.08 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1sh0 s LEU 169 Cb -0.03 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1sh0 s LEU 169 CO -0.02 -0.23 -0.07 0.68 0.23 0.00 0.00 176.35 176.94 1sh0 s VAL 170 N 0.71 0.70 0.44 -1.59 -7.23 0.64 -4.87 120.40 109.21 1sh0 s VAL 170 Ca 0.51 -1.68 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 1sh0 s VAL 170 Cb -0.23 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 1sh0 s VAL 170 CO 0.29 -0.70 1.32 2.29 -0.31 0.00 0.00 175.10 177.99 1sh0 n LYS 171 N 0.42 1.99 0.27 4.82 2.85 -1.26 -1.36 118.16 125.89 1sh0 n LYS 171 Ca -0.15 0.71 0.10 0.00 -1.05 0.00 0.00 58.31 57.92 1sh0 n LYS 171 Cb 0.59 -2.47 0.71 0.00 -0.65 0.00 0.00 35.03 33.21 1sh0 n LYS 171 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1sh0 h THR 172 N 2.07 0.87 0.00 0.58 1.35 -1.86 -0.43 112.91 115.49 1sh0 h THR 172 Ca -0.49 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1sh0 h THR 172 Cb 1.29 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1sh0 h THR 172 CO 0.60 0.01 -0.02 -0.78 -0.25 0.00 0.00 175.52 175.08 1sh0 h ASP 173 N 0.00 0.00 0.36 5.36 3.58 -1.93 0.18 116.42 123.97 1sh0 h ASP 173 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sh0 h ASP 173 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1sh0 h ASP 173 CO 0.00 0.02 0.00 0.29 -2.88 0.00 0.00 179.24 176.67 1sh0 n LYS 174 N -3.63 0.46 -0.04 0.28 5.02 -0.17 -1.02 118.16 119.06 1sh0 n LYS 174 Ca -0.03 0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 1sh0 n LYS 174 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1sh0 n LYS 174 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1sh0 n ILE 175 N -1.22 0.66 1.03 -0.18 5.41 -0.05 -2.30 119.36 122.71 1sh0 n ILE 175 Ca 0.13 -0.06 0.12 0.00 1.00 0.00 0.00 62.75 63.95 1sh0 n ILE 175 Cb 0.17 -1.67 0.09 0.00 -0.71 0.00 0.00 39.64 37.53 1sh0 n ILE 175 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sh0 n TYR 176 N -3.49 0.00 0.00 1.39 4.01 0.44 -4.74 117.16 114.77 1sh0 n TYR 176 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1sh0 n TYR 176 Cb 0.56 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 1sh0 n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh0 n GLY 177 N 1.37 1.58 3.61 2.72 0.00 -0.19 -4.97 105.19 109.30 1sh0 n GLY 177 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1sh0 n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sh0 s LYS 178 N 3.91 3.66 0.13 1.61 2.47 -1.07 -4.92 119.74 125.53 1sh0 s LYS 178 Ca 0.00 0.94 -0.31 0.00 -1.56 0.00 0.00 55.97 55.05 1sh0 s LYS 178 Cb 0.00 -3.98 -0.08 0.00 -1.46 0.00 0.00 37.83 32.31 1sh0 s LYS 178 CO 0.00 -1.46 1.35 0.42 0.16 0.00 0.00 175.35 175.83 1sh0 s ILE 179 N 5.09 3.33 0.00 5.43 1.01 -1.26 -4.22 121.20 130.59 1sh0 s ILE 179 Ca 0.58 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 62.21 1sh0 s ILE 179 Cb -0.13 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 1sh0 s ILE 179 CO 0.31 0.10 0.02 -0.54 0.00 0.00 0.00 174.94 174.82 1sh0 s LYS 180 N 0.78 0.18 -0.10 2.79 1.02 -0.97 -5.02 119.74 118.42 1sh0 s LYS 180 Ca 0.62 -0.23 -0.08 0.00 0.02 0.00 0.00 55.97 56.30 1sh0 s LYS 180 Cb -0.36 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.05 1sh0 s LYS 180 CO 0.32 -0.03 0.25 0.21 -0.92 0.00 0.00 175.35 175.18 1sh0 s LYS 181 N -0.65 0.27 0.27 1.68 2.20 -1.26 -4.70 119.74 117.55 1sh0 s LYS 181 Ca -0.07 0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 1sh0 s LYS 181 Cb -0.04 0.06 -0.09 0.00 -1.51 0.00 0.00 37.83 36.24 1sh0 s LYS 181 CO -0.00 -0.08 1.06 1.03 -0.36 0.00 0.00 175.35 177.00 1sh0 s ARG 182 N 0.51 4.68 -0.06 4.03 0.52 -1.26 -4.82 118.95 122.55 1sh0 s ARG 182 Ca -0.03 1.73 -0.28 0.00 -0.52 0.00 0.00 55.73 56.63 1sh0 s ARG 182 Cb -0.05 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 1sh0 s ARG 182 CO -0.03 0.27 0.91 -1.17 0.02 0.00 0.00 175.30 175.31 1sh0 s LEU 183 N -1.41 4.30 0.09 2.53 2.96 -1.26 -0.02 118.68 125.87 1sh0 s LEU 183 Ca 0.44 1.47 0.07 0.00 -0.22 0.00 0.00 54.13 55.88 1sh0 s LEU 183 Cb -0.30 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1sh0 s LEU 183 CO 0.39 -0.30 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.27 1sh0 s LEU 184 N 1.37 3.08 -0.55 -0.68 1.43 -0.29 -4.86 118.68 118.18 1sh0 s LEU 184 Ca 0.46 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1sh0 s LEU 184 Cb -0.19 -1.86 0.14 0.00 0.03 0.00 0.00 46.19 44.32 1sh0 s LEU 184 CO 0.21 0.19 0.35 0.26 0.23 0.00 0.00 176.35 177.60 1sh0 s TRP 185 N -1.20 3.47 -0.57 0.29 0.52 0.15 -1.79 118.94 119.82 1sh0 s TRP 185 Ca 0.21 -2.59 -0.28 0.00 0.02 0.00 0.00 56.10 53.46 1sh0 s TRP 185 Cb -0.11 -3.22 0.02 0.00 -1.15 0.00 0.00 33.47 29.01 1sh0 s TRP 185 CO 0.13 -0.89 1.34 0.20 0.02 0.00 0.00 176.95 177.75 1sh0 s GLY 186 N 1.14 0.97 0.86 0.98 0.00 0.36 -3.83 107.32 107.79 1sh0 s GLY 186 Ca 0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 44.01 1sh0 s GLY 186 CO -0.04 2.70 1.09 -1.35 0.00 0.00 0.00 173.10 175.51 1sh0 s SER 187 N 3.91 3.75 0.38 1.64 1.04 -1.26 0.30 113.70 123.45 1sh0 s SER 187 Ca 0.49 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.53 1sh0 s SER 187 Cb -0.10 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.62 1sh0 s SER 187 CO 0.25 -2.50 0.69 1.51 0.98 0.00 0.00 173.24 174.18 1sh0 s ASP 188 N -3.31 6.45 0.26 7.02 -4.77 -1.19 -4.09 116.67 117.05 1sh0 s ASP 188 Ca 0.63 0.94 -0.03 0.00 -3.30 0.00 0.00 52.55 50.79 1sh0 s ASP 188 Cb -0.18 -2.24 0.40 0.00 -1.09 0.00 0.00 42.92 39.81 1sh0 s ASP 188 CO 0.57 -0.35 1.87 0.25 0.70 0.00 0.00 175.17 178.21 1sh0 h LEU 189 N 1.23 1.00 -0.22 2.11 5.85 -0.75 -1.51 115.31 123.02 1sh0 h LEU 189 Ca -0.47 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1sh0 h LEU 189 Cb 1.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1sh0 h LEU 189 CO 0.64 0.63 0.02 0.00 -0.34 0.00 0.00 178.44 179.39 1sh0 h ALA 190 N 1.45 0.21 -0.95 1.25 0.00 -1.85 -1.81 119.26 117.55 1sh0 h ALA 190 Ca 0.43 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1sh0 h ALA 190 Cb 0.19 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1sh0 h ALA 190 CO -0.18 -0.41 0.59 1.15 0.00 0.00 0.00 179.25 180.40 1sh0 h THR 191 N 0.09 1.26 0.15 0.00 2.02 -1.78 -1.72 112.91 112.94 1sh0 h THR 191 Ca 0.10 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1sh0 h THR 191 Cb 0.12 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 1sh0 h THR 191 CO -0.16 0.26 -0.17 0.24 0.37 0.00 0.00 175.52 176.06 1sh0 h MET 192 N 1.31 -0.36 -0.32 6.66 2.07 -0.76 -1.05 114.93 122.48 1sh0 h MET 192 Ca 0.34 0.02 -0.14 0.00 -2.07 0.00 0.00 59.70 57.86 1sh0 h MET 192 Cb -0.08 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 1sh0 h MET 192 CO -0.07 -0.24 -0.38 -0.84 1.07 0.00 0.00 176.91 176.46 1sh0 h ILE 193 N -0.37 1.29 -0.70 -1.22 -0.00 -1.24 -1.61 117.51 113.66 1sh0 h ILE 193 Ca 0.01 -1.55 -0.00 0.00 -0.00 0.00 0.00 64.86 63.32 1sh0 h ILE 193 Cb 0.36 1.45 -0.03 0.00 -0.00 0.00 0.00 36.82 38.59 1sh0 h ILE 193 CO -0.06 0.50 0.43 0.03 -0.00 0.00 0.00 178.15 179.06 1sh0 h ARG 194 N 0.61 0.94 -0.19 0.16 3.08 -1.22 -0.70 114.38 117.06 1sh0 h ARG 194 Ca 0.05 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1sh0 h ARG 194 Cb 0.92 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1sh0 h ARG 194 CO 0.08 0.66 -0.42 0.00 -1.07 0.00 0.00 179.97 179.22 1sh0 h ALA 196 N 1.17 0.15 -0.21 0.00 0.00 -0.87 0.18 119.26 119.68 1sh0 h ALA 196 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1sh0 h ALA 196 Cb 0.90 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sh0 h ALA 196 CO 0.08 -0.29 -0.45 0.00 0.00 0.00 0.00 179.25 178.58 1sh0 h ARG 197 N 0.06 0.53 -0.04 0.00 3.08 -1.13 0.23 114.38 117.12 1sh0 h ARG 197 Ca 0.04 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1sh0 h ARG 197 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1sh0 h ARG 197 CO -0.01 0.88 -0.09 0.00 -1.07 0.00 0.00 179.97 179.68 1sh0 h ALA 198 N 1.08 0.06 -0.00 0.04 0.00 -1.08 -3.41 119.26 115.94 1sh0 h ALA 198 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sh0 h ALA 198 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1sh0 h ALA 198 CO 0.09 -0.07 -0.06 1.19 0.00 0.00 0.00 179.25 180.39 1sh0 n PHE 199 N -4.68 0.00 -0.13 0.00 3.72 0.60 -4.31 117.46 112.66 1sh0 n PHE 199 Ca -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 1sh0 n PHE 199 Cb 0.35 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1sh0 n PHE 199 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1sh0 h GLY 200 N 0.37 0.24 0.92 1.37 0.00 -0.51 -0.09 103.07 105.36 1sh0 h GLY 200 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1sh0 h GLY 200 CO 0.00 -0.18 0.49 -1.33 0.00 0.00 0.00 176.54 175.52 1sh0 h GLY 201 N -0.04 1.09 0.98 4.60 0.00 -1.76 -2.10 103.07 105.84 1sh0 h GLY 201 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1sh0 h GLY 201 CO -0.46 0.34 0.20 -2.00 0.00 0.00 0.00 176.54 174.62 1sh0 h LEU 202 N 0.97 0.73 -0.74 3.11 5.85 -1.62 -1.65 115.31 121.96 1sh0 h LEU 202 Ca 0.30 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1sh0 h LEU 202 Cb -0.03 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1sh0 h LEU 202 CO -0.09 0.71 0.46 0.24 -0.34 0.00 0.00 178.44 179.42 1sh0 h MET 203 N 0.71 0.87 0.06 1.25 2.86 -0.72 0.11 114.93 120.06 1sh0 h MET 203 Ca 0.17 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1sh0 h MET 203 Cb 0.22 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1sh0 h MET 203 CO -0.01 0.58 -0.03 -0.44 1.06 0.00 0.00 176.91 178.07 1sh0 h ASP 204 N 0.90 -0.06 -0.96 1.22 3.32 -1.22 -1.73 116.42 117.89 1sh0 h ASP 204 Ca 0.30 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.36 1sh0 h ASP 204 Cb 0.04 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1sh0 h ASP 204 CO -0.12 -0.04 0.63 -0.08 -1.72 0.00 0.00 179.24 177.91 1sh0 h GLU 205 N -0.08 1.27 -0.79 3.56 4.57 -0.82 -2.26 114.58 120.02 1sh0 h GLU 205 Ca -0.01 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1sh0 h GLU 205 Cb 0.06 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 1sh0 h GLU 205 CO 0.01 0.84 0.32 -0.07 -1.18 0.00 0.00 179.01 178.93 1sh0 h LEU 206 N 1.30 1.10 -0.71 1.64 3.38 -0.69 -2.99 115.31 118.33 1sh0 h LEU 206 Ca 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1sh0 h LEU 206 Cb -0.15 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.28 1sh0 h LEU 206 CO -0.08 0.97 0.38 0.50 0.09 0.00 0.00 178.44 180.31 1sh0 h LYS 207 N 1.16 1.00 -0.77 1.13 3.64 -0.77 -1.86 116.57 120.10 1sh0 h LYS 207 Ca 0.26 -0.12 0.19 0.00 -1.27 0.00 0.00 60.65 59.71 1sh0 h LYS 207 Cb 0.22 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1sh0 h LYS 207 CO -0.02 0.76 0.53 1.15 -2.27 0.00 0.00 179.45 179.59 1sh0 h THR 208 N 0.99 0.70 -0.33 1.00 2.02 -1.28 -2.54 112.91 113.47 1sh0 h THR 208 Ca 0.25 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.27 1sh0 h THR 208 Cb 0.06 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 1sh0 h THR 208 CO -0.04 0.04 0.01 1.41 0.37 0.00 0.00 175.52 177.32 1sh0 n HIS 209 N -4.42 1.12 0.29 3.16 8.25 -0.74 -4.68 115.22 118.20 1sh0 n HIS 209 Ca 0.15 -1.13 0.17 0.00 -0.26 0.00 0.00 57.72 56.65 1sh0 n HIS 209 Cb 0.67 -0.40 0.70 0.00 1.12 0.00 0.00 29.99 32.08 1sh0 n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sh0 h VAL 211 N 0.00 1.22 0.04 0.00 2.07 -1.83 -3.36 116.25 114.39 1sh0 h VAL 211 Ca 0.00 -2.44 -0.32 0.00 0.82 0.00 0.00 66.70 64.76 1sh0 h VAL 211 Cb 0.48 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1sh0 h VAL 211 CO 0.00 0.64 -1.78 0.41 0.02 0.00 0.00 177.57 176.85 1sh0 n THR 212 N -3.41 1.60 -2.77 2.57 -1.04 -0.83 -4.86 114.28 105.54 1sh0 n THR 212 Ca 0.00 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.05 61.41 1sh0 n THR 212 Cb 0.73 -1.88 -0.02 0.00 -1.82 0.00 0.00 70.33 67.34 1sh0 n THR 212 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sh0 s LEU 213 N -7.47 3.77 0.53 -4.42 1.43 0.09 -4.97 118.68 107.64 1sh0 s LEU 213 Ca -0.29 1.12 0.22 0.00 -1.03 0.00 0.00 54.13 54.15 1sh0 s LEU 213 Cb 0.08 -4.02 1.35 0.00 0.03 0.00 0.00 46.19 43.63 1sh0 s LEU 213 CO 0.63 -0.45 2.05 -0.65 0.23 0.00 0.00 176.35 178.16 1sh0 h PRO 214 N 1.02 0.00 -6.20 1.29 0.11 -1.88 -3.39 132.00 122.95 1sh0 h PRO 214 Ca -0.47 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.11 1sh0 h PRO 214 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1sh0 h PRO 214 CO 0.63 0.00 1.22 0.42 -0.21 0.00 0.00 178.00 180.06 1sh0 s ILE 215 N -5.03 3.56 -2.19 4.15 1.01 -1.26 0.05 121.20 121.48 1sh0 s ILE 215 Ca -0.05 0.41 0.28 0.00 0.00 0.00 0.00 60.65 61.29 1sh0 s ILE 215 Cb 0.19 -4.23 0.54 0.00 0.01 0.00 0.00 42.46 38.96 1sh0 s ILE 215 CO 0.71 -1.10 1.79 0.54 0.00 0.00 0.00 174.94 176.88 1sh0 n ARG 216 N 8.99 1.31 -1.66 2.79 5.12 0.08 -4.50 116.66 128.78 1sh0 n ARG 216 Ca 0.15 -0.66 -0.50 0.00 -1.93 0.00 0.00 57.85 54.91 1sh0 n ARG 216 Cb 0.50 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.26 1sh0 n ARG 216 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1sh0 n VAL 217 N -0.27 0.21 0.00 1.55 0.31 -1.26 -1.20 118.33 117.68 1sh0 n VAL 217 Ca 0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1sh0 n VAL 217 Cb 0.31 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1sh0 n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sh0 n GLY 218 N 3.60 0.08 3.73 2.92 0.00 -1.26 -4.50 105.19 109.76 1sh0 n GLY 218 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1sh0 n GLY 218 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sh0 s MET 219 N -0.98 2.48 -0.28 1.61 0.00 -0.34 -3.82 119.30 117.98 1sh0 s MET 219 Ca 0.00 1.95 -0.10 0.00 0.00 0.00 0.00 55.69 57.54 1sh0 s MET 219 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 34.83 32.94 1sh0 s MET 219 CO 0.00 -1.62 0.17 1.21 0.00 0.00 0.00 175.02 174.78 1sh0 s ASN 220 N -1.59 5.83 0.17 -1.18 3.84 -1.26 0.10 114.94 120.85 1sh0 s ASN 220 Ca 0.80 -0.12 -0.15 0.00 0.21 0.00 0.00 52.86 53.59 1sh0 s ASN 220 Cb -0.34 -2.08 0.11 0.00 -0.55 0.00 0.00 41.25 38.38 1sh0 s ASN 220 CO 0.40 -0.08 1.74 -0.03 -2.79 0.00 0.00 177.10 176.35 1sh0 h MET 221 N 8.36 0.25 -0.18 0.43 1.85 -1.93 0.21 114.93 123.92 1sh0 h MET 221 Ca -0.35 -0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 58.64 1sh0 h MET 221 Cb 1.18 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.15 1sh0 h MET 221 CO 0.57 0.17 -0.23 -0.91 -0.40 0.00 0.00 176.91 176.11 1sh0 h ASN 222 N 0.26 0.52 -0.02 1.39 4.21 -1.94 -1.45 115.58 118.55 1sh0 h ASN 222 Ca 0.19 -0.50 -0.04 0.00 1.21 0.00 0.00 56.30 57.16 1sh0 h ASN 222 Cb 0.21 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1sh0 h ASN 222 CO -0.22 0.92 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.34 1sh0 h GLU 223 N 0.14 0.14 0.00 0.81 5.08 -1.91 -3.40 114.58 115.43 1sh0 h GLU 223 Ca 0.02 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.03 1sh0 h GLU 223 Cb 0.79 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1sh0 h GLU 223 CO 0.05 0.83 -1.94 -0.25 -1.00 0.00 0.00 179.01 176.71 1sh0 n ASP 224 N -4.59 0.37 -0.38 1.42 8.00 0.74 -4.45 116.55 117.66 1sh0 n ASP 224 Ca -0.09 0.17 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 1sh0 n ASP 224 Cb 0.44 0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 42.27 1sh0 n ASP 224 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1sh0 h GLY 225 N 3.85 -0.54 0.30 0.44 0.00 -1.19 0.38 103.07 106.32 1sh0 h GLY 225 Ca -0.30 0.69 0.10 0.00 0.00 0.00 0.00 47.33 47.82 1sh0 h GLY 225 CO 0.04 -0.05 0.20 -2.55 0.00 0.00 0.00 176.54 174.17 1sh0 h PRO 226 N -0.04 0.35 0.03 4.80 0.11 -1.78 0.83 132.00 136.30 1sh0 h PRO 226 Ca 0.21 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1sh0 h PRO 226 Cb 0.49 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1sh0 h PRO 226 CO -0.92 0.23 -0.01 0.82 -0.21 0.00 0.00 178.00 177.91 1sh0 h ILE 227 N 0.36 1.09 -0.32 4.15 1.08 -1.62 -2.26 117.51 119.99 1sh0 h ILE 227 Ca 0.32 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 1sh0 h ILE 227 Cb 0.43 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1sh0 h ILE 227 CO -0.35 0.09 0.05 0.40 -0.69 0.00 0.00 178.15 177.66 1sh0 h ILE 228 N -0.19 1.23 -0.31 -0.67 2.04 -0.60 -2.57 117.51 116.45 1sh0 h ILE 228 Ca -0.00 -0.82 -0.16 0.00 1.00 0.00 0.00 64.86 64.88 1sh0 h ILE 228 Cb 0.18 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1sh0 h ILE 228 CO 0.01 0.27 -0.42 -0.26 0.00 0.00 0.00 178.15 177.75 1sh0 h PHE 229 N 0.36 1.02 -0.55 1.37 0.04 -0.90 -2.13 116.94 116.14 1sh0 h PHE 229 Ca 0.10 -0.33 0.10 0.00 2.80 0.00 0.00 57.97 60.64 1sh0 h PHE 229 Cb 0.35 -0.20 -0.08 0.00 2.20 0.00 0.00 35.95 38.21 1sh0 h PHE 229 CO 0.02 1.14 0.07 1.49 -0.60 0.00 0.00 178.31 180.43 1sh0 h GLU 230 N 0.60 0.19 -0.42 1.51 4.22 -1.42 -0.68 114.58 118.58 1sh0 h GLU 230 Ca 0.03 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1sh0 h GLU 230 Cb 1.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1sh0 h GLU 230 CO 0.10 0.12 0.27 0.00 -2.18 0.00 0.00 179.01 177.32 1sh0 h ARG 231 N 0.19 0.53 -0.78 1.92 2.47 -1.22 -1.87 114.38 115.62 1sh0 h ARG 231 Ca 0.28 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 59.07 1sh0 h ARG 231 Cb 0.42 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 28.54 1sh0 h ARG 231 CO -0.40 0.35 0.41 0.45 0.56 0.00 0.00 179.97 181.34 1sh0 h HIS 232 N 0.54 0.74 0.00 3.04 3.86 -0.89 -2.39 115.15 120.05 1sh0 h HIS 232 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1sh0 h HIS 232 Cb -0.04 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1sh0 h HIS 232 CO -0.06 0.27 0.00 0.66 0.86 0.00 0.00 177.93 179.66 1sh0 h SER 233 N 0.68 0.00 0.82 2.45 4.64 -0.28 -2.06 113.55 119.79 1sh0 h SER 233 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1sh0 h SER 233 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1sh0 h SER 233 CO -0.28 0.00 -0.07 0.03 -0.87 0.00 0.00 176.83 175.65 1sh0 h ARG 234 N 0.00 0.00 -6.59 4.77 3.08 -1.28 -3.45 114.38 110.92 1sh0 h ARG 234 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1sh0 h ARG 234 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.17 1sh0 h ARG 234 CO 0.00 0.07 -0.14 0.71 -1.07 0.00 0.00 179.97 179.54 1sh0 s TYR 235 N -3.78 3.51 -0.08 3.04 1.51 -0.78 -5.04 117.35 115.73 1sh0 s TYR 235 Ca -0.00 0.44 -0.25 0.00 -1.01 0.00 0.00 57.07 56.25 1sh0 s TYR 235 Cb 0.10 -1.97 -0.27 0.00 -0.11 0.00 0.00 41.96 39.71 1sh0 s TYR 235 CO 0.56 0.06 0.90 -0.09 -1.11 0.00 0.00 175.55 175.86 1sh0 h ARG 236 N 0.71 0.15 -6.42 -0.62 2.43 -1.82 -3.46 114.38 105.36 1sh0 h ARG 236 Ca -0.49 -0.22 -0.67 0.00 -0.81 0.00 0.00 59.98 57.79 1sh0 h ARG 236 Cb 1.21 0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.68 1sh0 h ARG 236 CO 0.62 1.05 -0.72 0.71 -1.51 0.00 0.00 179.97 180.12 1sh0 s TYR 237 N -2.58 2.82 -0.02 2.20 2.02 0.15 -4.36 117.35 117.58 1sh0 s TYR 237 Ca -0.16 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1sh0 s TYR 237 Cb -0.01 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1sh0 s TYR 237 CO 0.75 0.40 0.06 -1.01 -1.57 0.00 0.00 175.55 174.18 1sh0 s HIS 238 N -1.11 -0.06 0.07 2.71 3.76 0.86 -0.68 115.29 120.84 1sh0 s HIS 238 Ca 0.20 0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.25 1sh0 s HIS 238 Cb -0.11 -0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 1sh0 s HIS 238 CO 0.11 -0.04 0.01 1.52 -0.85 0.00 0.00 174.74 175.49 1sh0 s TYR 239 N 0.17 0.57 -0.41 1.40 -0.85 -0.13 -0.14 117.35 117.95 1sh0 s TYR 239 Ca -0.01 -1.07 0.09 0.00 -0.52 0.00 0.00 57.07 55.56 1sh0 s TYR 239 Cb -0.02 -0.38 0.34 0.00 0.38 0.00 0.00 41.96 42.28 1sh0 s TYR 239 CO -0.00 -0.43 0.99 -0.40 -1.52 0.00 0.00 175.55 174.18 1sh0 n ASP 240 N 0.05 -0.95 -4.57 -0.18 5.75 -1.26 -0.67 116.55 114.71 1sh0 n ASP 240 Ca -0.12 -3.30 -0.39 0.00 -0.01 0.00 0.00 54.79 50.97 1sh0 n ASP 240 Cb 0.62 0.80 0.04 0.00 -1.03 0.00 0.00 41.12 41.55 1sh0 n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sh0 n ALA 241 N 0.23 -0.19 -3.33 2.12 0.00 -1.26 -4.59 120.51 113.50 1sh0 n ALA 241 Ca 0.12 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1sh0 n ALA 241 Cb 0.70 -2.02 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 1sh0 n ALA 241 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1sh0 s ASP 242 N -1.09 3.59 -0.02 0.00 -4.77 -1.00 -4.42 116.67 108.97 1sh0 s ASP 242 Ca 0.70 -0.46 -0.16 0.00 -3.30 0.00 0.00 52.55 49.33 1sh0 s ASP 242 Cb -0.46 -1.53 -0.06 0.00 -1.09 0.00 0.00 42.92 39.78 1sh0 s ASP 242 CO 0.52 0.12 0.44 -0.31 0.70 0.00 0.00 175.17 176.63 1sh0 s TYR 243 N 0.60 3.69 0.16 2.11 1.51 -1.26 -1.70 117.35 122.46 1sh0 s TYR 243 Ca -0.10 1.00 -0.30 0.00 -1.01 0.00 0.00 57.07 56.66 1sh0 s TYR 243 Cb -0.16 -2.36 -0.07 0.00 -0.11 0.00 0.00 41.96 39.26 1sh0 s TYR 243 CO 0.03 0.54 1.03 -1.12 -1.11 0.00 0.00 175.55 174.92 1sh0 s SER 244 N -0.73 7.40 -1.46 2.29 0.01 -0.64 -4.29 113.70 116.29 1sh0 s SER 244 Ca 0.25 1.95 -0.09 0.00 1.31 0.00 0.00 55.95 59.37 1sh0 s SER 244 Cb -0.17 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1sh0 s SER 244 CO 0.13 -0.12 0.20 -2.11 0.41 0.00 0.00 173.24 171.76 1sh0 n ARG 245 N 2.44 -0.91 -0.28 12.44 1.85 -1.26 -4.46 116.66 126.47 1sh0 n ARG 245 Ca 0.02 0.11 -0.05 0.00 -1.00 0.00 0.00 57.85 56.92 1sh0 n ARG 245 Cb 0.47 -3.38 -0.01 0.00 -1.05 0.00 0.00 32.46 28.50 1sh0 n ARG 245 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 177.63 179.97 1sh0 h TRP 246 N -2.01 -1.18 -0.44 2.89 2.91 -1.97 -2.38 115.95 113.77 1sh0 h TRP 246 Ca -0.67 0.09 0.06 0.00 1.13 0.00 0.00 58.89 59.50 1sh0 h TRP 246 Cb 1.40 0.63 -0.05 0.00 -0.51 0.00 0.00 29.16 30.62 1sh0 h TRP 246 CO 0.48 -0.40 0.15 -0.44 -1.03 0.00 0.00 178.44 177.20 1sh0 h ASP 247 N -0.12 0.15 0.65 2.65 5.19 -1.88 -1.16 116.42 121.89 1sh0 h ASP 247 Ca 0.25 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 1sh0 h ASP 247 Cb 0.56 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1sh0 h ASP 247 CO -0.81 0.12 0.00 -1.54 -3.12 0.00 0.00 179.24 173.89 1sh0 n SER 248 N -5.02 0.68 -0.72 6.45 3.41 -0.92 -1.18 113.62 116.33 1sh0 n SER 248 Ca 0.04 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1sh0 n SER 248 Cb 0.17 -0.82 0.09 0.00 -0.26 0.00 0.00 64.21 63.39 1sh0 n SER 248 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sh0 n THR 249 N -2.27 0.00 -2.16 6.66 -2.24 -0.46 -4.42 114.28 109.39 1sh0 n THR 249 Ca 0.02 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 1sh0 n THR 249 Cb 0.21 1.31 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1sh0 n THR 249 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sh0 s GLN 250 N -2.22 3.86 -0.16 -0.78 -1.52 -1.02 -4.70 119.66 113.13 1sh0 s GLN 250 Ca 0.24 1.96 -0.06 0.00 -1.95 0.00 0.00 55.36 55.56 1sh0 s GLN 250 Cb 0.19 -2.59 -0.04 0.00 -0.22 0.00 0.00 33.01 30.35 1sh0 s GLN 250 CO 0.42 -0.52 0.04 -0.65 -0.25 0.00 0.00 175.29 174.34 1sh0 s GLN 251 N -2.44 3.76 0.42 2.91 -0.21 -1.26 -2.05 119.66 120.79 1sh0 s GLN 251 Ca 0.60 -0.36 0.08 0.00 0.02 0.00 0.00 55.36 55.70 1sh0 s GLN 251 Cb -0.33 -3.11 0.91 0.00 1.00 0.00 0.00 33.01 31.48 1sh0 s GLN 251 CO 0.42 0.37 2.06 0.00 -2.12 0.00 0.00 175.29 176.01 1sh0 h ARG 252 N 6.35 0.45 -0.59 2.91 2.47 -1.88 -0.47 114.38 123.62 1sh0 h ARG 252 Ca -0.39 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.32 1sh0 h ARG 252 Cb 1.18 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.37 1sh0 h ARG 252 CO 0.66 0.31 0.39 0.00 0.56 0.00 0.00 179.97 181.90 1sh0 h ALA 253 N 1.77 1.67 0.08 0.04 0.00 -1.97 0.55 119.26 121.40 1sh0 h ALA 253 Ca 0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1sh0 h ALA 253 Cb -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1sh0 h ALA 253 CO -0.02 0.27 -0.58 0.28 0.00 0.00 0.00 179.25 179.20 1sh0 h VAL 254 N 0.71 1.55 -0.48 0.00 2.07 -1.68 -3.18 116.25 115.24 1sh0 h VAL 254 Ca 0.23 -2.37 0.05 0.00 0.82 0.00 0.00 66.70 65.44 1sh0 h VAL 254 Cb 0.06 3.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1sh0 h VAL 254 CO -0.06 0.66 0.32 -0.07 0.02 0.00 0.00 177.57 178.44 1sh0 h LEU 255 N -0.45 0.40 -0.35 2.57 3.38 -0.82 -1.58 115.31 118.46 1sh0 h LEU 255 Ca -0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1sh0 h LEU 255 Cb 1.41 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1sh0 h LEU 255 CO 0.11 0.27 0.18 0.00 0.09 0.00 0.00 178.44 179.09 1sh0 h ALA 256 N 1.73 0.45 -0.77 1.53 0.00 0.04 0.47 119.26 122.70 1sh0 h ALA 256 Ca 0.20 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1sh0 h ALA 256 Cb 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1sh0 h ALA 256 CO -0.05 -0.01 0.45 0.00 0.00 0.00 0.00 179.25 179.64 1sh0 h ALA 257 N 1.04 1.06 -0.50 0.00 0.00 -1.37 0.38 119.26 119.86 1sh0 h ALA 257 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sh0 h ALA 257 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sh0 h ALA 257 CO -0.02 0.13 0.27 0.00 0.00 0.00 0.00 179.25 179.64 1sh0 h ALA 258 N 1.40 0.65 -0.43 0.00 0.00 -0.87 -2.44 119.26 117.56 1sh0 h ALA 258 Ca 0.35 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1sh0 h ALA 258 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1sh0 h ALA 258 CO -0.20 0.17 -0.18 -0.07 0.00 0.00 0.00 179.25 178.98 1sh0 h LEU 259 N 0.67 0.83 -0.63 0.00 3.38 -0.53 -2.27 115.31 116.76 1sh0 h LEU 259 Ca 0.18 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1sh0 h LEU 259 Cb 0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1sh0 h LEU 259 CO -0.03 1.00 0.35 -0.08 0.09 0.00 0.00 178.44 179.78 1sh0 h GLU 260 N 0.73 0.65 -0.45 1.13 4.81 -0.82 0.20 114.58 120.82 1sh0 h GLU 260 Ca 0.11 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1sh0 h GLU 260 Cb 0.70 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1sh0 h GLU 260 CO 0.05 0.43 0.28 0.82 -0.73 0.00 0.00 179.01 179.86 1sh0 h ILE 261 N 0.67 1.07 -0.33 2.32 2.04 -1.19 -1.48 117.51 120.60 1sh0 h ILE 261 Ca 0.27 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1sh0 h ILE 261 Cb 0.14 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1sh0 h ILE 261 CO -0.16 0.10 0.21 0.24 0.00 0.00 0.00 178.15 178.54 1sh0 h MET 262 N 0.56 0.45 -0.48 2.37 2.86 -0.79 -2.62 114.93 117.28 1sh0 h MET 262 Ca 0.18 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1sh0 h MET 262 Cb -0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1sh0 h MET 262 CO -0.07 0.33 0.31 0.28 1.06 0.00 0.00 176.91 178.82 1sh0 h VAL 263 N 0.44 1.10 -0.77 -2.22 2.07 -0.52 -1.61 116.25 114.74 1sh0 h VAL 263 Ca 0.12 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1sh0 h VAL 263 Cb -0.01 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 1sh0 h VAL 263 CO -0.02 0.11 0.50 0.50 0.02 0.00 0.00 177.57 178.69 1sh0 h LYS 264 N 0.63 0.56 -0.62 1.57 3.64 -1.05 -1.84 116.57 119.46 1sh0 h LYS 264 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1sh0 h LYS 264 Cb -0.05 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1sh0 h LYS 264 CO -0.05 0.37 0.00 1.19 -2.27 0.00 0.00 179.45 178.69 1sh0 n PHE 265 N -4.50 0.85 -1.86 1.91 3.72 -0.99 -4.93 117.46 111.67 1sh0 n PHE 265 Ca 0.14 -0.51 -0.31 0.00 -0.05 0.00 0.00 57.45 56.72 1sh0 n PHE 265 Cb 0.42 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.96 1sh0 n PHE 265 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1sh0 s SER 266 N -1.00 5.94 0.39 4.37 1.04 -0.64 -4.51 113.70 119.29 1sh0 s SER 266 Ca 0.42 1.34 0.08 0.00 0.48 0.00 0.00 55.95 58.27 1sh0 s SER 266 Cb 0.22 -2.30 0.79 0.00 0.10 0.00 0.00 66.02 64.82 1sh0 s SER 266 CO 0.28 -1.04 1.96 0.77 0.98 0.00 0.00 173.24 176.18 1sh0 h SER 267 N -0.44 0.34 -2.69 7.02 4.64 -1.79 -3.34 113.55 117.28 1sh0 h SER 267 Ca -0.44 -0.05 -0.60 0.00 -0.47 0.00 0.00 61.79 60.23 1sh0 h SER 267 Cb 1.21 -0.09 -0.39 0.00 -0.31 0.00 0.00 62.40 62.82 1sh0 h SER 267 CO 0.62 0.40 -0.85 -1.61 -0.87 0.00 0.00 176.83 174.52 1sh0 s GLU 268 N -5.00 1.20 0.36 4.77 8.01 -1.26 -4.94 118.70 121.84 1sh0 s GLU 268 Ca -0.07 -2.21 0.11 0.00 0.01 0.00 0.00 54.97 52.81 1sh0 s GLU 268 Cb 0.16 -1.90 0.88 0.00 -4.31 0.00 0.00 34.13 28.95 1sh0 s GLU 268 CO 0.74 -1.31 1.84 -1.35 0.01 0.00 0.00 175.26 175.19 1sh0 h PRO 269 N 5.94 0.61 0.00 0.39 0.11 -1.74 0.37 132.00 137.68 1sh0 h PRO 269 Ca 0.18 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 1sh0 h PRO 269 Cb 0.89 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1sh0 h PRO 269 CO 0.44 0.40 -0.33 1.12 -0.21 0.00 0.00 178.00 179.42 1sh0 h HIS 270 N 0.63 0.00 0.10 0.65 2.07 -1.95 -0.40 115.15 116.25 1sh0 h HIS 270 Ca 0.48 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.66 1sh0 h HIS 270 Cb 0.89 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.85 1sh0 h HIS 270 CO -0.00 0.33 -1.91 -0.07 -3.07 0.00 0.00 177.93 173.21 1sh0 h LEU 271 N 0.00 0.34 -1.30 6.12 3.38 -1.58 -3.37 115.31 118.90 1sh0 h LEU 271 Ca -0.00 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 1sh0 h LEU 271 Cb 0.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1sh0 h LEU 271 CO 0.04 1.66 0.08 0.00 0.09 0.00 0.00 178.44 180.32 1sh0 h ALA 272 N 0.29 1.44 -0.76 1.53 0.00 -0.91 -2.90 119.26 117.95 1sh0 h ALA 272 Ca -0.38 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.51 1sh0 h ALA 272 Cb 2.03 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 1sh0 h ALA 272 CO 0.09 0.41 0.31 0.37 0.00 0.00 0.00 179.25 180.43 1sh0 h GLN 273 N 0.54 0.45 -0.43 0.00 5.75 -1.22 -0.09 115.11 120.10 1sh0 h GLN 273 Ca 0.13 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1sh0 h GLN 273 Cb 0.23 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1sh0 h GLN 273 CO -0.00 0.30 0.08 0.28 -2.65 0.00 0.00 178.83 176.83 1sh0 h VAL 274 N 0.46 1.24 -0.46 2.39 2.07 -1.69 -2.13 116.25 118.14 1sh0 h VAL 274 Ca 0.41 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1sh0 h VAL 274 Cb 0.62 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1sh0 h VAL 274 CO -0.40 0.31 0.28 0.58 0.02 0.00 0.00 177.57 178.36 1sh0 h VAL 275 N 0.58 1.15 -0.05 2.57 2.07 -1.36 -2.64 116.25 118.56 1sh0 h VAL 275 Ca 0.13 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1sh0 h VAL 275 Cb 0.37 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1sh0 h VAL 275 CO 0.01 0.15 -0.28 0.00 0.02 0.00 0.00 177.57 177.47 1sh0 h ALA 276 N 1.13 -0.35 -0.05 1.67 0.00 -0.88 -1.91 119.26 118.87 1sh0 h ALA 276 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sh0 h ALA 276 Cb 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sh0 h ALA 276 CO -0.03 -0.77 -0.06 1.05 0.00 0.00 0.00 179.25 179.44 1sh0 h GLU 277 N -0.39 0.08 -0.19 0.00 4.11 -1.26 -0.80 114.58 116.12 1sh0 h GLU 277 Ca 0.08 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.38 1sh0 h GLU 277 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1sh0 h GLU 277 CO -0.27 0.15 -0.39 -0.44 0.07 0.00 0.00 179.01 178.12 1sh0 h ASP 278 N 0.08 0.45 0.22 3.06 3.32 -1.08 -1.45 116.42 121.02 1sh0 h ASP 278 Ca 0.02 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.71 1sh0 h ASP 278 Cb 0.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1sh0 h ASP 278 CO 0.01 0.80 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.60 1sh0 h LEU 279 N 0.35 0.47 -0.27 1.55 3.38 -0.41 -3.25 115.31 117.12 1sh0 h LEU 279 Ca 0.03 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 1sh0 h LEU 279 Cb 0.85 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sh0 h LEU 279 CO 0.07 0.99 -0.87 -0.07 0.09 0.00 0.00 178.44 178.66 1sh0 h LEU 280 N 0.29 0.42 -9.67 1.67 3.38 -1.12 -3.46 115.31 106.82 1sh0 h LEU 280 Ca -0.01 -0.32 -0.57 0.00 0.09 0.00 0.00 57.88 57.06 1sh0 h LEU 280 Cb 1.20 -0.13 0.17 0.00 0.09 0.00 0.00 40.66 42.00 1sh0 h LEU 280 CO 0.11 1.10 -0.21 -1.20 0.09 0.00 0.00 178.44 178.34 1sh0 n SER 281 N -3.74 -0.44 -4.53 -0.43 7.64 -0.55 -4.80 113.62 106.76 1sh0 n SER 281 Ca -0.05 0.71 -0.56 0.00 1.01 0.00 0.00 58.87 59.98 1sh0 n SER 281 Cb 0.79 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.66 1sh0 n SER 281 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1sh0 n PRO 282 N -0.65 0.45 -2.69 1.43 -0.02 -1.26 -4.84 135.00 127.41 1sh0 n PRO 282 Ca 0.12 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 1sh0 n PRO 282 Cb 0.48 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 1sh0 n PRO 282 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sh0 s SER 283 N 0.17 7.15 -0.29 2.55 0.01 0.31 -4.78 113.70 118.82 1sh0 s SER 283 Ca 0.88 1.43 -0.24 0.00 1.31 0.00 0.00 55.95 59.32 1sh0 s SER 283 Cb -1.14 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 62.55 1sh0 s SER 283 CO 0.53 -0.55 0.82 -0.69 0.41 0.00 0.00 173.24 173.76 1sh0 s VAL 284 N 2.59 4.79 -0.06 3.43 1.01 -1.26 -0.20 120.40 130.69 1sh0 s VAL 284 Ca 0.45 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 1sh0 s VAL 284 Cb -0.17 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1sh0 s VAL 284 CO 0.12 -0.22 -0.03 0.54 0.00 0.00 0.00 175.10 175.51 1sh0 s VAL 285 N 2.97 0.52 -0.33 2.92 0.11 -0.45 0.09 120.40 126.23 1sh0 s VAL 285 Ca 0.34 -0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 59.07 1sh0 s VAL 285 Cb -0.14 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1sh0 s VAL 285 CO 0.11 0.25 1.05 -0.62 -3.33 0.00 0.00 175.10 172.57 1sh0 s ASP 286 N 1.45 6.88 -0.21 3.54 -1.08 0.32 -1.36 116.67 126.21 1sh0 s ASP 286 Ca -0.03 0.96 0.15 0.00 -0.52 0.00 0.00 52.55 53.12 1sh0 s ASP 286 Cb -0.13 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.36 1sh0 s ASP 286 CO -0.03 -0.88 1.48 1.33 0.52 0.00 0.00 175.17 177.59 1sh0 n VAL 287 N 5.91 2.40 0.00 1.11 0.24 0.18 -1.24 118.33 126.93 1sh0 n VAL 287 Ca 0.11 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.49 1sh0 n VAL 287 Cb 0.47 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1sh0 n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sh0 n GLY 288 N -0.48 1.60 0.15 7.63 0.00 -1.26 -4.55 105.19 108.29 1sh0 n GLY 288 Ca 0.24 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 1sh0 n GLY 288 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sh0 h ASP 289 N 0.00 0.14 -4.51 1.61 3.04 -1.95 -3.30 116.42 111.46 1sh0 h ASP 289 Ca 0.00 -0.08 -0.25 0.00 -3.24 0.00 0.00 57.03 53.46 1sh0 h ASP 289 Cb 0.00 -0.04 -0.15 0.00 -1.04 0.00 0.00 39.33 38.10 1sh0 h ASP 289 CO 0.00 0.72 -0.69 -0.36 -2.04 0.00 0.00 179.24 176.87 1sh0 s PHE 290 N -3.68 1.01 -0.23 4.15 0.08 -1.26 -2.40 117.98 115.65 1sh0 s PHE 290 Ca -0.03 -0.92 -0.06 0.00 0.12 0.00 0.00 56.93 56.05 1sh0 s PHE 290 Cb 0.12 -0.57 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 1sh0 s PHE 290 CO 0.78 -0.14 0.02 0.99 -0.10 0.00 0.00 175.22 176.77 1sh0 s THR 291 N -3.60 3.93 0.32 0.64 2.01 -0.21 -0.65 115.64 118.09 1sh0 s THR 291 Ca 0.15 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 61.94 1sh0 s THR 291 Cb 0.05 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1sh0 s THR 291 CO -0.02 0.39 -0.03 0.27 -0.69 0.00 0.00 174.62 174.54 1sh0 s ILE 292 N 1.42 2.70 -0.24 1.82 -4.36 -0.46 0.72 121.20 122.79 1sh0 s ILE 292 Ca 0.05 -2.05 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 1sh0 s ILE 292 Cb -0.15 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.82 1sh0 s ILE 292 CO 0.01 -0.26 0.04 -0.55 0.24 0.00 0.00 174.94 174.42 1sh0 s SER 293 N -3.67 4.87 -0.31 4.36 0.15 -0.38 -1.34 113.70 117.39 1sh0 s SER 293 Ca 0.33 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.64 1sh0 s SER 293 Cb -0.02 -1.86 0.03 0.00 -1.71 0.00 0.00 66.02 62.46 1sh0 s SER 293 CO 0.19 -0.04 0.06 -0.63 1.20 0.00 0.00 173.24 174.02 1sh0 s ILE 294 N 1.57 3.65 -1.73 6.45 -1.09 0.72 -3.96 121.20 126.80 1sh0 s ILE 294 Ca 0.06 -0.99 0.26 0.00 -2.23 0.00 0.00 60.65 57.75 1sh0 s ILE 294 Cb -0.15 -2.98 0.20 0.00 -1.58 0.00 0.00 42.46 37.95 1sh0 s ILE 294 CO 0.01 -0.03 1.47 -0.46 -1.23 0.00 0.00 174.94 174.70 1sh0 n ASN 295 N 4.79 1.14 -4.37 3.58 6.94 -1.26 0.11 115.26 126.19 1sh0 n ASN 295 Ca -0.14 -0.94 -0.19 0.00 -0.02 0.00 0.00 54.58 53.29 1sh0 n ASN 295 Cb 0.46 0.21 -0.10 0.00 -2.36 0.00 0.00 39.78 37.99 1sh0 n ASN 295 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1sh0 s GLU 296 N -2.54 1.50 0.00 -3.83 0.41 -1.26 -4.76 118.70 108.22 1sh0 s GLU 296 Ca 0.22 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 1sh0 s GLU 296 Cb 0.19 -0.55 0.00 0.00 -1.78 0.00 0.00 34.13 31.99 1sh0 s GLU 296 CO 0.55 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.50 1sh0 n GLY 297 N -0.55 -1.39 3.57 -1.39 0.00 -0.87 -4.86 105.19 99.71 1sh0 n GLY 297 Ca -0.01 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 1sh0 n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sh0 s LEU 298 N -2.74 3.73 -1.13 0.99 2.96 -0.33 -4.76 118.68 117.41 1sh0 s LEU 298 Ca 0.00 -0.02 -0.22 0.00 -0.22 0.00 0.00 54.13 53.67 1sh0 s LEU 298 Cb 0.00 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1sh0 s LEU 298 CO 0.00 0.07 1.78 -2.16 -1.32 0.00 0.00 176.35 174.72 1sh0 s PRO 299 N 1.00 3.16 -0.42 0.98 0.04 -1.26 -4.64 135.00 133.86 1sh0 s PRO 299 Ca 0.05 -1.22 -0.33 0.00 0.04 0.00 0.00 61.00 59.54 1sh0 s PRO 299 Cb -0.14 -5.32 -0.11 0.00 0.04 0.00 0.00 34.50 28.97 1sh0 s PRO 299 CO 0.03 -3.00 2.27 0.43 0.04 0.00 0.00 177.00 176.77 1sh0 n SER 300 N 11.44 2.07 0.00 6.66 7.64 -1.26 -0.87 113.62 139.31 1sh0 n SER 300 Ca 0.43 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.55 1sh0 n SER 300 Cb 0.47 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1sh0 n SER 300 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sh0 n GLY 301 N 6.42 1.53 3.63 0.23 0.00 -1.26 0.30 105.19 116.03 1sh0 n GLY 301 Ca 0.42 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.97 1sh0 n GLY 301 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sh0 n VAL 302 N 0.00 0.82 -0.33 1.61 3.14 -0.05 -4.48 118.33 119.04 1sh0 n VAL 302 Ca 0.00 -0.21 0.31 0.00 -2.96 0.00 0.00 64.34 61.48 1sh0 n VAL 302 Cb 0.00 -1.21 0.57 0.00 -1.06 0.00 0.00 33.84 32.14 1sh0 n VAL 302 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1sh0 h PRO 303 N 4.02 0.07 -0.70 1.45 0.11 -1.93 0.11 132.00 135.14 1sh0 h PRO 303 Ca -0.44 -0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.25 1sh0 h PRO 303 Cb 1.30 -0.02 -0.23 0.00 0.11 0.00 0.00 31.00 32.16 1sh0 h PRO 303 CO 0.74 0.05 0.22 0.00 -0.21 0.00 0.00 178.00 178.80 1sh0 h THR 305 N 1.13 0.06 -0.67 0.00 2.02 -1.11 -1.99 112.91 112.35 1sh0 h THR 305 Ca 0.43 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.58 1sh0 h THR 305 Cb 1.85 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1sh0 h THR 305 CO 0.85 0.00 0.30 0.77 0.37 0.00 0.00 175.52 177.81 1sh0 h SER 306 N -0.24 0.89 0.05 4.18 4.64 -1.88 0.12 113.55 121.31 1sh0 h SER 306 Ca 0.16 -0.15 -0.20 0.00 -0.47 0.00 0.00 61.79 61.13 1sh0 h SER 306 Cb 0.56 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1sh0 h SER 306 CO -0.69 0.80 -0.80 1.56 -0.87 0.00 0.00 176.83 176.82 1sh0 h GLN 307 N 0.93 0.45 -0.07 4.77 7.50 -1.92 0.65 115.11 127.43 1sh0 h GLN 307 Ca 0.23 -0.55 0.03 0.00 0.50 0.00 0.00 58.65 58.86 1sh0 h GLN 307 Cb 0.16 0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.82 1sh0 h GLN 307 CO -0.02 1.20 -0.14 2.35 -1.50 0.00 0.00 178.83 180.71 1sh0 h TRP 308 N -0.05 -0.37 -0.81 2.96 7.01 -1.25 -0.22 115.95 123.22 1sh0 h TRP 308 Ca -0.11 0.02 0.08 0.00 2.11 0.00 0.00 58.89 60.98 1sh0 h TRP 308 Cb 1.52 0.17 -0.07 0.00 -2.10 0.00 0.00 29.16 28.69 1sh0 h TRP 308 CO 0.15 -0.21 0.48 -0.91 -2.79 0.00 0.00 178.44 175.16 1sh0 h ASN 309 N -0.20 0.72 -0.80 2.65 2.35 -0.77 -1.28 115.58 118.24 1sh0 h ASN 309 Ca 0.07 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1sh0 h ASN 309 Cb 0.30 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1sh0 h ASN 309 CO -0.19 0.44 0.34 0.28 -1.65 0.00 0.00 177.43 176.65 1sh0 h SER 310 N 0.84 1.09 -0.39 5.81 0.02 -0.34 0.77 113.55 121.35 1sh0 h SER 310 Ca 0.37 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 1sh0 h SER 310 Cb 0.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1sh0 h SER 310 CO -0.21 0.95 -0.35 0.40 -1.14 0.00 0.00 176.83 176.47 1sh0 h ILE 311 N 1.16 1.27 -0.64 3.27 2.04 -0.77 -0.43 117.51 123.40 1sh0 h ILE 311 Ca 0.27 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.62 1sh0 h ILE 311 Cb 0.18 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1sh0 h ILE 311 CO -0.03 0.51 0.41 0.00 0.00 0.00 0.00 178.15 179.05 1sh0 h ALA 312 N 0.81 0.83 -0.74 1.87 0.00 -0.97 -0.90 119.26 120.16 1sh0 h ALA 312 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sh0 h ALA 312 Cb 0.94 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1sh0 h ALA 312 CO 0.09 0.20 0.41 1.25 0.00 0.00 0.00 179.25 181.20 1sh0 h HIS 313 N 0.83 1.00 -0.08 0.00 6.17 -0.65 -0.64 115.15 121.77 1sh0 h HIS 313 Ca 0.25 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1sh0 h HIS 313 Cb -0.04 -0.32 -0.00 0.00 2.52 0.00 0.00 27.41 29.56 1sh0 h HIS 313 CO -0.04 0.70 0.05 2.35 0.71 0.00 0.00 177.93 181.70 1sh0 h TRP 314 N 1.01 0.10 -0.43 5.26 2.91 -0.66 -0.66 115.95 123.48 1sh0 h TRP 314 Ca 0.26 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.33 1sh0 h TRP 314 Cb 0.02 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.59 1sh0 h TRP 314 CO -0.00 0.07 0.18 -0.07 -1.03 0.00 0.00 178.44 177.59 1sh0 h LEU 315 N 0.10 0.24 -0.78 0.65 3.38 -0.90 -1.58 115.31 116.42 1sh0 h LEU 315 Ca 0.03 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1sh0 h LEU 315 Cb -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1sh0 h LEU 315 CO -0.01 0.17 -0.12 -0.07 0.09 0.00 0.00 178.44 178.51 1sh0 h LEU 316 N 0.37 0.79 -0.13 1.67 3.38 -0.80 -0.32 115.31 120.28 1sh0 h LEU 316 Ca 0.19 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1sh0 h LEU 316 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sh0 h LEU 316 CO -0.17 0.93 -0.19 0.74 0.09 0.00 0.00 178.44 179.84 1sh0 h THR 317 N 0.72 1.37 -0.29 0.22 2.02 -1.03 -0.54 112.91 115.38 1sh0 h THR 317 Ca 0.12 -1.42 0.04 0.00 0.77 0.00 0.00 66.41 65.92 1sh0 h THR 317 Cb 0.61 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1sh0 h THR 317 CO 0.04 0.42 0.05 -0.07 0.37 0.00 0.00 175.52 176.32 1sh0 h LEU 318 N -0.04 -0.01 -0.20 2.58 3.38 -1.13 -1.14 115.31 118.75 1sh0 h LEU 318 Ca 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1sh0 h LEU 318 Cb 0.76 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1sh0 h LEU 318 CO 0.04 0.03 0.08 0.00 0.09 0.00 0.00 178.44 178.68 1sh0 h ALA 320 N 0.92 -0.05 -0.68 0.00 0.00 -0.93 0.55 119.26 119.06 1sh0 h ALA 320 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1sh0 h ALA 320 Cb 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1sh0 h ALA 320 CO -0.00 -0.54 0.31 -0.07 0.00 0.00 0.00 179.25 178.95 1sh0 h LEU 321 N -0.08 0.91 0.03 0.00 3.38 -1.19 -1.82 115.31 116.54 1sh0 h LEU 321 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sh0 h LEU 321 Cb 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1sh0 h LEU 321 CO -0.05 0.80 -0.03 -1.28 0.09 0.00 0.00 178.44 177.98 1sh0 h SER 322 N 0.96 -0.08 -0.58 -0.43 0.87 -0.78 -2.08 113.55 111.43 1sh0 h SER 322 Ca 0.23 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.75 1sh0 h SER 322 Cb 0.15 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1sh0 h SER 322 CO -0.03 -0.05 0.18 -0.33 -0.53 0.00 0.00 176.83 176.08 1sh0 h GLU 323 N -0.07 0.95 0.00 2.24 5.08 -0.68 0.79 114.58 122.89 1sh0 h GLU 323 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1sh0 h GLU 323 Cb 0.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1sh0 h GLU 323 CO -0.01 0.82 -0.27 1.33 -1.00 0.00 0.00 179.01 179.88 1sh0 n VAL 324 N -4.27 0.39 0.23 3.13 0.24 -0.70 -3.83 118.33 113.52 1sh0 n VAL 324 Ca 0.05 -0.22 0.06 0.00 -2.04 0.00 0.00 64.34 62.18 1sh0 n VAL 324 Cb 0.22 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.17 1sh0 n VAL 324 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1sh0 n THR 325 N -2.06 0.00 -3.79 3.34 5.66 -0.79 -4.86 114.28 111.79 1sh0 n THR 325 Ca 0.05 -0.25 -0.28 0.00 -3.05 0.00 0.00 64.05 60.52 1sh0 n THR 325 Cb 0.42 0.57 0.05 0.00 -1.55 0.00 0.00 70.33 69.81 1sh0 n THR 325 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1sh0 n ASN 326 N -1.62 -5.18 -4.22 1.09 5.15 0.25 -5.02 115.26 105.70 1sh0 n ASN 326 Ca -0.00 -0.70 -0.25 0.00 -0.60 0.00 0.00 54.58 53.03 1sh0 n ASN 326 Cb 0.25 -4.30 -0.14 0.00 -0.53 0.00 0.00 39.78 35.06 1sh0 n ASN 326 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sh0 s LEU 327 N -7.26 2.14 0.61 1.20 1.43 -1.14 -5.07 118.68 110.58 1sh0 s LEU 327 Ca 0.61 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1sh0 s LEU 327 Cb -0.29 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1sh0 s LEU 327 CO 0.79 0.16 1.18 -1.54 0.23 0.00 0.00 176.35 177.17 1sh0 n SER 328 N 2.02 1.67 0.13 2.29 3.41 -1.26 -4.36 113.62 117.52 1sh0 n SER 328 Ca -0.17 0.85 0.18 0.00 -0.26 0.00 0.00 58.87 59.46 1sh0 n SER 328 Cb 0.53 -1.49 0.75 0.00 -0.26 0.00 0.00 64.21 63.75 1sh0 n SER 328 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1sh0 h PRO 329 N 0.66 0.00 -0.66 4.33 0.11 -1.90 -0.40 132.00 134.14 1sh0 h PRO 329 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1sh0 h PRO 329 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1sh0 h PRO 329 CO 0.53 0.00 0.33 -0.44 -0.21 0.00 0.00 178.00 178.20 1sh0 h ASP 330 N 0.00 0.86 -0.18 -2.05 3.32 -1.90 -0.68 116.42 115.80 1sh0 h ASP 330 Ca 0.14 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.90 1sh0 h ASP 330 Cb 0.68 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1sh0 h ASP 330 CO -0.00 0.74 -0.55 0.40 -1.72 0.00 0.00 179.24 178.12 1sh0 h ILE 331 N 0.92 1.31 0.21 0.35 2.04 -1.48 -1.84 117.51 119.03 1sh0 h ILE 331 Ca 0.23 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.32 1sh0 h ILE 331 Cb 0.11 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1sh0 h ILE 331 CO -0.03 0.56 -0.36 0.40 0.00 0.00 0.00 178.15 178.72 1sh0 h ILE 332 N 0.38 0.26 -0.66 -0.67 1.08 -1.15 -2.46 117.51 114.29 1sh0 h ILE 332 Ca -0.02 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 1sh0 h ILE 332 Cb 1.17 0.26 -0.07 0.00 -3.07 0.00 0.00 36.82 35.11 1sh0 h ILE 332 CO 0.12 0.00 0.30 -0.61 -0.69 0.00 0.00 178.15 177.27 1sh0 h GLN 333 N -0.65 0.51 0.00 2.37 5.75 -1.11 -1.01 115.11 120.97 1sh0 h GLN 333 Ca 0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1sh0 h GLN 333 Cb 0.63 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1sh0 h GLN 333 CO -0.15 0.34 0.00 0.00 -2.65 0.00 0.00 178.83 176.37 1sh0 h ALA 334 N 1.41 1.00 0.00 3.38 0.00 -1.21 -3.11 119.26 120.73 1sh0 h ALA 334 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1sh0 h ALA 334 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1sh0 h ALA 334 CO -0.27 0.00 -0.02 0.09 0.00 0.00 0.00 179.25 179.05 1sh0 n ASN 335 N -2.55 2.06 -4.19 0.00 3.02 -0.47 -5.04 115.26 108.09 1sh0 n ASN 335 Ca 0.01 -2.58 -0.11 0.00 -0.03 0.00 0.00 54.58 51.86 1sh0 n ASN 335 Cb 0.20 -0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 1sh0 n ASN 335 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sh0 s SER 336 N -2.02 0.42 -0.03 6.41 0.01 -0.69 -1.66 113.70 116.15 1sh0 s SER 336 Ca 0.18 -1.27 0.01 0.00 1.31 0.00 0.00 55.95 56.17 1sh0 s SER 336 Cb 0.16 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.70 1sh0 s SER 336 CO 0.02 -0.75 -0.04 -0.22 0.41 0.00 0.00 173.24 172.67 1sh0 s LEU 337 N -3.12 1.47 0.10 2.44 2.96 0.51 -4.88 118.68 118.15 1sh0 s LEU 337 Ca 0.30 -0.09 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1sh0 s LEU 337 Cb 0.07 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.38 1sh0 s LEU 337 CO 0.06 -0.03 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.52 1sh0 s PHE 338 N 0.66 2.55 -0.11 5.38 0.08 -1.26 -1.40 117.98 123.89 1sh0 s PHE 338 Ca -0.08 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.72 1sh0 s PHE 338 Cb -0.11 -1.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1sh0 s PHE 338 CO -0.00 0.35 -0.09 -1.12 -0.10 0.00 0.00 175.22 174.26 1sh0 s SER 339 N -1.95 2.13 -0.02 1.36 0.01 -0.29 -4.21 113.70 110.73 1sh0 s SER 339 Ca 0.17 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1sh0 s SER 339 Cb -0.11 -0.85 -0.01 0.00 0.21 0.00 0.00 66.02 65.26 1sh0 s SER 339 CO 0.09 -0.09 -0.16 -0.36 0.41 0.00 0.00 173.24 173.13 1sh0 s PHE 340 N 1.52 1.45 -0.40 2.43 0.08 0.11 -1.55 117.98 121.62 1sh0 s PHE 340 Ca 0.02 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.78 1sh0 s PHE 340 Cb -0.13 -0.94 0.15 0.00 -0.57 0.00 0.00 43.02 41.52 1sh0 s PHE 340 CO -0.06 -0.05 0.26 -0.47 -0.10 0.00 0.00 175.22 174.80 1sh0 s TYR 341 N -0.28 1.15 0.00 0.36 6.14 -0.36 -0.74 117.35 123.62 1sh0 s TYR 341 Ca 0.04 -2.02 0.00 0.00 0.64 0.00 0.00 57.07 55.73 1sh0 s TYR 341 Cb -0.07 -1.15 0.00 0.00 0.42 0.00 0.00 41.96 41.15 1sh0 s TYR 341 CO -0.00 -0.81 0.00 0.41 0.64 0.00 0.00 175.55 175.79 1sh0 n GLY 342 N 3.55 3.02 0.02 8.97 0.00 -1.25 -1.96 105.19 117.54 1sh0 n GLY 342 Ca 0.17 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1sh0 n GLY 342 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sh0 n ASP 343 N 9.74 0.32 -4.75 1.61 5.75 -1.26 -4.34 116.55 123.61 1sh0 n ASP 343 Ca 0.00 0.29 -0.40 0.00 -0.01 0.00 0.00 54.79 54.67 1sh0 n ASP 343 Cb 0.00 -0.30 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1sh0 n ASP 343 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sh0 s ASP 344 N -3.37 7.50 -0.02 -1.12 -1.08 -0.83 -4.58 116.67 113.17 1sh0 s ASP 344 Ca 0.12 1.78 -0.07 0.00 -0.52 0.00 0.00 52.55 53.86 1sh0 s ASP 344 Cb 0.17 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.07 1sh0 s ASP 344 CO 0.60 0.07 0.15 -1.83 0.52 0.00 0.00 175.17 174.68 1sh0 s GLU 345 N -0.62 0.41 -0.10 4.34 -1.05 -1.26 -1.22 118.70 119.20 1sh0 s GLU 345 Ca 0.42 -0.22 0.02 0.00 -0.15 0.00 0.00 54.97 55.04 1sh0 s GLU 345 Cb -0.24 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.64 1sh0 s GLU 345 CO 0.29 -0.09 -0.15 0.42 0.95 0.00 0.00 175.26 176.68 1sh0 s ILE 346 N -0.98 1.45 -0.17 1.83 1.01 -0.59 -4.58 121.20 119.16 1sh0 s ILE 346 Ca -0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1sh0 s ILE 346 Cb -0.06 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1sh0 s ILE 346 CO 0.01 0.43 -0.09 -0.69 0.00 0.00 0.00 174.94 174.60 1sh0 s VAL 347 N 0.95 3.24 -0.00 2.92 1.01 0.16 -1.14 120.40 127.54 1sh0 s VAL 347 Ca -0.08 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.40 1sh0 s VAL 347 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1sh0 s VAL 347 CO -0.01 0.48 -0.22 -0.44 0.00 0.00 0.00 175.10 174.92 1sh0 s SER 348 N 0.83 2.55 0.04 3.32 0.01 -0.49 -0.96 113.70 119.00 1sh0 s SER 348 Ca -0.03 -0.43 -0.26 0.00 1.31 0.00 0.00 55.95 56.55 1sh0 s SER 348 Cb -0.15 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 65.88 1sh0 s SER 348 CO 0.01 0.24 0.60 0.28 0.41 0.00 0.00 173.24 174.78 1sh0 s THR 349 N -0.58 0.01 -2.27 1.44 -1.32 0.14 -0.37 115.64 112.70 1sh0 s THR 349 Ca 0.08 -0.09 0.25 0.00 -1.21 0.00 0.00 61.69 60.72 1sh0 s THR 349 Cb -0.08 -0.99 0.19 0.00 -1.51 0.00 0.00 72.50 70.11 1sh0 s THR 349 CO -0.00 -0.05 1.34 0.47 -2.21 0.00 0.00 174.62 174.17 1sh0 n ASP 350 N 0.42 1.94 -4.72 8.08 8.00 -0.66 0.35 116.55 129.96 1sh0 n ASP 350 Ca -0.18 -1.48 -0.38 0.00 0.71 0.00 0.00 54.79 53.46 1sh0 n ASP 350 Cb 0.60 0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 1sh0 n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sh0 s ILE 351 N -2.30 5.18 -0.04 0.53 1.01 -1.26 -4.90 121.20 119.42 1sh0 s ILE 351 Ca 0.25 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.57 1sh0 s ILE 351 Cb 0.19 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1sh0 s ILE 351 CO 0.46 0.32 1.48 -0.75 0.00 0.00 0.00 174.94 176.45 1sh0 s LYS 352 N 0.67 4.23 0.01 2.79 2.20 -1.26 -4.91 119.74 123.47 1sh0 s LYS 352 Ca 0.26 2.02 0.02 0.00 -0.36 0.00 0.00 55.97 57.92 1sh0 s LYS 352 Cb -0.15 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1sh0 s LYS 352 CO 0.10 -0.70 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.87 1sh0 s LEU 353 N 3.15 3.44 -0.42 5.43 1.43 -1.26 -5.01 118.68 125.45 1sh0 s LEU 353 Ca 0.66 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.49 1sh0 s LEU 353 Cb -0.31 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 43.92 1sh0 s LEU 353 CO 0.26 0.27 0.71 -0.62 0.23 0.00 0.00 176.35 177.19 1sh0 s ASP 354 N -1.64 6.40 0.34 2.29 -1.08 -1.26 -4.96 116.67 116.76 1sh0 s ASP 354 Ca 0.20 -0.07 0.04 0.00 -0.52 0.00 0.00 52.55 52.20 1sh0 s ASP 354 Cb -0.11 -2.35 0.62 0.00 -1.46 0.00 0.00 42.92 39.61 1sh0 s ASP 354 CO 0.11 -0.78 1.90 1.55 0.52 0.00 0.00 175.17 178.47 1sh0 h PRO 355 N 8.78 0.58 -0.03 4.34 0.13 -1.98 -1.60 132.00 142.22 1sh0 h PRO 355 Ca -0.25 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1sh0 h PRO 355 Cb 1.09 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1sh0 h PRO 355 CO 0.91 0.55 -0.01 0.93 -0.23 0.00 0.00 178.00 180.15 1sh0 h GLU 356 N 0.56 0.05 -0.86 0.86 5.08 -1.93 -1.80 114.58 116.55 1sh0 h GLU 356 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1sh0 h GLU 356 Cb 0.25 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1sh0 h GLU 356 CO -0.00 0.39 0.49 0.87 -1.00 0.00 0.00 179.01 179.76 1sh0 h LYS 357 N -0.29 1.19 -0.22 2.33 1.57 -1.94 -0.22 116.57 118.99 1sh0 h LYS 357 Ca 0.01 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1sh0 h LYS 357 Cb 0.37 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1sh0 h LYS 357 CO 0.00 0.86 0.10 1.25 -0.57 0.00 0.00 179.45 181.09 1sh0 h LEU 358 N 1.20 0.30 -0.11 2.94 5.85 -1.30 -0.85 115.31 123.34 1sh0 h LEU 358 Ca 0.31 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1sh0 h LEU 358 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1sh0 h LEU 358 CO -0.05 0.37 -0.13 0.74 -0.34 0.00 0.00 178.44 179.02 1sh0 h THR 359 N 0.21 0.64 -0.47 1.05 2.02 -0.76 -0.57 112.91 115.04 1sh0 h THR 359 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1sh0 h THR 359 Cb 0.16 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1sh0 h THR 359 CO -0.01 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.16 1sh0 h ALA 360 N 0.89 1.61 -0.16 6.16 0.00 -0.99 -0.63 119.26 126.13 1sh0 h ALA 360 Ca 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1sh0 h ALA 360 Cb 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sh0 h ALA 360 CO -0.21 0.34 -0.24 -0.22 0.00 0.00 0.00 179.25 178.92 1sh0 h LYS 361 N 0.64 0.45 -0.74 0.00 1.63 -0.68 -0.80 116.57 117.08 1sh0 h LYS 361 Ca 0.17 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1sh0 h LYS 361 Cb -0.02 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1sh0 h LYS 361 CO -0.03 0.85 0.31 -0.07 -3.45 0.00 0.00 179.45 177.07 1sh0 h LEU 362 N 0.08 0.99 -0.87 5.20 3.38 -0.78 -1.88 115.31 121.44 1sh0 h LEU 362 Ca 0.02 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1sh0 h LEU 362 Cb 0.81 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1sh0 h LEU 362 CO 0.06 0.87 -0.52 0.11 0.09 0.00 0.00 178.44 179.05 1sh0 h LYS 363 N 1.07 0.13 -0.42 1.13 1.57 -1.12 -1.94 116.57 116.99 1sh0 h LYS 363 Ca 0.25 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1sh0 h LYS 363 Cb 0.18 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1sh0 h LYS 363 CO -0.02 0.62 0.12 1.49 -0.57 0.00 0.00 179.45 181.08 1sh0 h GLU 364 N 0.10 0.61 0.00 3.15 4.81 -0.43 -0.64 114.58 122.18 1sh0 h GLU 364 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1sh0 h GLU 364 Cb 0.95 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1sh0 h GLU 364 CO 0.07 0.55 0.00 0.66 -0.73 0.00 0.00 179.01 179.56 1sh0 n TYR 365 N -4.33 0.00 -0.88 0.92 4.01 -0.77 -0.33 117.16 115.77 1sh0 n TYR 365 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1sh0 n TYR 365 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1sh0 n TYR 365 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh0 n GLY 366 N 0.29 0.87 3.81 2.72 0.00 -0.25 -4.29 105.19 108.34 1sh0 n GLY 366 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1sh0 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh0 s LEU 367 N 0.00 3.39 -0.64 0.99 1.43 -0.76 -4.82 118.68 118.27 1sh0 s LEU 367 Ca 0.00 1.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1sh0 s LEU 367 Cb 0.00 -4.52 0.21 0.00 0.03 0.00 0.00 46.19 41.91 1sh0 s LEU 367 CO 0.00 -1.18 0.59 0.29 0.23 0.00 0.00 176.35 176.28 1sh0 n LYS 368 N -2.34 1.95 -2.44 1.70 4.76 -1.26 -3.98 118.16 116.56 1sh0 n LYS 368 Ca 0.08 -4.41 -0.39 0.00 -2.87 0.00 0.00 58.31 50.73 1sh0 n LYS 368 Cb 0.53 -2.17 -0.04 0.00 -1.84 0.00 0.00 35.03 31.51 1sh0 n LYS 368 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1sh0 s PRO 369 N -1.78 4.32 0.14 1.97 0.02 -1.26 -1.61 135.00 136.80 1sh0 s PRO 369 Ca 0.32 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1sh0 s PRO 369 Cb 0.06 -2.84 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 1sh0 s PRO 369 CO -0.10 -0.05 0.02 0.95 -0.33 0.00 0.00 177.00 177.49 1sh0 s THR 370 N -1.39 0.35 0.13 0.99 -4.23 -0.69 -4.93 115.64 105.87 1sh0 s THR 370 Ca 0.52 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.80 1sh0 s THR 370 Cb -0.29 -2.01 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 1sh0 s THR 370 CO 0.36 -0.53 1.09 -0.13 -0.54 0.00 0.00 174.62 174.87 1sh0 s ARG 371 N -3.98 4.57 0.15 3.99 0.52 -1.26 -2.38 118.95 120.56 1sh0 s ARG 371 Ca 0.22 1.67 -0.28 0.00 -0.52 0.00 0.00 55.73 56.82 1sh0 s ARG 371 Cb 0.07 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 1sh0 s ARG 371 CO 0.01 0.01 1.58 -1.35 0.02 0.00 0.00 175.30 175.57 1sh0 h PRO 372 N 5.65 -0.37 0.00 3.54 0.11 -1.89 -3.28 132.00 135.77 1sh0 h PRO 372 Ca -0.43 0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.29 1sh0 h PRO 372 Cb 1.21 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1sh0 h PRO 372 CO 0.74 -0.25 -2.42 -0.25 -0.21 0.00 0.00 178.00 175.61 1sh0 n ASP 373 N -5.42 1.90 -0.02 -2.05 9.92 -1.26 -4.73 116.55 114.89 1sh0 n ASP 373 Ca -0.02 0.20 -0.04 0.00 -0.53 0.00 0.00 54.79 54.39 1sh0 n ASP 373 Cb 0.35 -0.66 0.17 0.00 -0.64 0.00 0.00 41.12 40.35 1sh0 n ASP 373 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1sh0 h LYS 374 N -0.68 0.58 -3.38 -1.24 1.79 -1.99 -3.49 116.57 108.16 1sh0 h LYS 374 Ca -0.62 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.63 1sh0 h LYS 374 Cb 1.64 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 1sh0 h LYS 374 CO -0.31 0.76 -0.59 0.25 -1.08 0.00 0.00 179.45 178.48 1sh0 n THR 375 N -4.13 -3.42 -2.51 -0.16 -2.24 -1.24 -4.95 114.28 95.64 1sh0 n THR 375 Ca -0.00 1.58 -0.01 0.00 -2.27 0.00 0.00 64.05 63.35 1sh0 n THR 375 Cb 0.40 -2.13 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 1sh0 n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sh0 n GLU 376 N -0.50 -2.82 0.00 -0.78 4.71 -1.26 -4.95 120.64 115.03 1sh0 n GLU 376 Ca 0.00 2.35 0.00 0.00 -0.01 0.00 0.00 57.16 59.50 1sh0 n GLU 376 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 31.44 25.79 1sh0 n GLU 376 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sh0 n GLY 377 N 0.51 3.64 3.72 0.62 0.00 -1.26 -5.06 105.19 107.37 1sh0 n GLY 377 Ca 0.01 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1sh0 n GLY 377 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh0 s PRO 378 N -2.39 2.28 0.21 1.61 0.02 -1.26 -4.54 135.00 130.94 1sh0 s PRO 378 Ca 0.00 1.96 -0.32 0.00 0.02 0.00 0.00 61.00 62.66 1sh0 s PRO 378 Cb 0.00 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.55 1sh0 s PRO 378 CO 0.00 -1.78 1.20 -0.11 -0.33 0.00 0.00 177.00 175.98 1sh0 n LEU 379 N -2.33 1.97 -4.69 -5.54 0.00 -1.26 -4.92 117.00 100.22 1sh0 n LEU 379 Ca 0.15 1.15 -0.37 0.00 0.00 0.00 0.00 56.01 56.94 1sh0 n LEU 379 Cb 0.49 -1.28 -0.08 0.00 0.00 0.00 0.00 43.42 42.55 1sh0 n LEU 379 CO 0.47 -1.11 -0.07 -0.69 0.00 0.00 0.00 177.39 176.00 1sh0 s VAL 380 N -0.29 5.31 -0.23 1.96 1.01 -1.26 -4.80 120.40 122.11 1sh0 s VAL 380 Ca 0.70 0.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.00 1sh0 s VAL 380 Cb -0.78 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1sh0 s VAL 380 CO 0.53 0.35 0.09 -0.63 0.00 0.00 0.00 175.10 175.44 1sh0 s ILE 381 N 0.87 4.72 0.11 2.22 1.01 -1.26 -4.57 121.20 124.30 1sh0 s ILE 381 Ca 0.13 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.78 1sh0 s ILE 381 Cb -0.13 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1sh0 s ILE 381 CO 0.04 0.36 0.05 -0.55 0.00 0.00 0.00 174.94 174.85 1sh0 s SER 382 N 1.17 5.26 0.00 3.58 0.15 0.80 -4.90 113.70 119.76 1sh0 s SER 382 Ca 0.05 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.79 1sh0 s SER 382 Cb -0.14 -1.32 0.51 0.00 -1.71 0.00 0.00 66.02 63.36 1sh0 s SER 382 CO 0.04 0.14 1.44 -0.62 1.20 0.00 0.00 173.24 175.44 1sh0 n GLU 383 N 0.27 2.28 -3.95 5.44 1.02 -1.26 -0.10 120.64 124.34 1sh0 n GLU 383 Ca -0.09 -1.93 -0.29 0.00 -0.02 0.00 0.00 57.16 54.83 1sh0 n GLU 383 Cb 0.53 -1.48 -0.17 0.00 -0.02 0.00 0.00 31.44 30.30 1sh0 n GLU 383 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh0 s ASP 384 N -1.51 2.64 0.49 1.62 2.15 -1.26 -4.88 116.67 115.91 1sh0 s ASP 384 Ca 0.36 -0.52 0.25 0.00 0.43 0.00 0.00 52.55 53.08 1sh0 s ASP 384 Cb 0.21 -1.01 1.24 0.00 -0.30 0.00 0.00 42.92 43.07 1sh0 s ASP 384 CO 0.30 -0.12 1.98 0.25 -0.17 0.00 0.00 175.17 177.41 1sh0 h LEU 385 N 8.10 0.00 -9.40 -1.34 5.85 -1.93 -3.44 115.31 113.14 1sh0 h LEU 385 Ca -0.31 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 57.80 1sh0 h LEU 385 Cb 1.12 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.20 1sh0 h LEU 385 CO 0.45 0.17 0.80 0.59 -0.34 0.00 0.00 178.44 180.12 1sh0 n ASN 386 N -3.61 2.89 0.00 1.25 3.02 -1.26 -2.47 115.26 115.08 1sh0 n ASN 386 Ca -0.01 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 1sh0 n ASN 386 Cb 0.31 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1sh0 n ASN 386 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sh0 n GLY 387 N 3.50 2.39 3.74 7.41 0.00 -0.60 -5.02 105.19 116.60 1sh0 n GLY 387 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1sh0 n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh0 s LEU 388 N 0.00 3.01 -0.04 0.99 1.02 -1.03 -4.69 118.68 117.94 1sh0 s LEU 388 Ca 0.00 1.97 0.04 0.00 0.02 0.00 0.00 54.13 56.16 1sh0 s LEU 388 Cb 0.00 -4.54 -0.00 0.00 0.02 0.00 0.00 46.19 41.67 1sh0 s LEU 388 CO 0.00 -2.35 -0.17 -0.89 0.02 0.00 0.00 176.35 172.96 1sh0 s THR 389 N -2.75 1.46 -0.13 5.49 2.01 -1.26 -0.33 115.64 120.14 1sh0 s THR 389 Ca 0.64 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1sh0 s THR 389 Cb -0.20 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.11 1sh0 s THR 389 CO 0.55 0.42 0.30 0.12 -0.69 0.00 0.00 174.62 175.32 1sh0 s PHE 390 N 0.03 -0.42 -1.50 4.92 5.36 -0.25 -4.74 117.98 121.38 1sh0 s PHE 390 Ca -0.04 0.95 -0.13 0.00 -0.96 0.00 0.00 56.93 56.75 1sh0 s PHE 390 Cb -0.12 0.12 0.09 0.00 -0.34 0.00 0.00 43.02 42.78 1sh0 s PHE 390 CO 0.02 -0.27 0.78 1.28 -1.46 0.00 0.00 175.22 175.58 1sh0 n LEU 391 N 4.21 -2.08 -1.00 6.12 4.77 -1.26 -0.51 117.00 127.25 1sh0 n LEU 391 Ca -0.24 -0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 54.92 1sh0 n LEU 391 Cb 0.54 -2.35 -0.06 0.00 -2.33 0.00 0.00 43.42 39.22 1sh0 n LEU 391 CO 0.12 0.33 -0.12 0.54 -1.33 0.00 0.00 177.39 176.93 1sh0 n ARG 392 N -4.31 -0.97 -4.43 3.23 1.74 -1.26 -4.99 116.66 105.67 1sh0 n ARG 392 Ca 0.03 0.95 -0.34 0.00 -0.77 0.00 0.00 57.85 57.72 1sh0 n ARG 392 Cb 0.53 -5.02 -0.11 0.00 -1.02 0.00 0.00 32.46 26.83 1sh0 n ARG 392 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1sh0 s ARG 393 N -3.07 3.20 -0.18 5.56 3.00 0.33 -1.28 118.95 126.52 1sh0 s ARG 393 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 55.73 54.96 1sh0 s ARG 393 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 34.95 32.15 1sh0 s ARG 393 CO 0.00 0.52 1.02 0.99 0.00 0.00 0.00 175.30 177.82 1sh0 s THR 394 N -0.39 4.73 -0.11 0.02 2.01 0.51 -1.09 115.64 121.32 1sh0 s THR 394 Ca 0.07 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.79 1sh0 s THR 394 Cb -0.12 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 1sh0 s THR 394 CO 0.02 -0.10 1.16 0.68 -0.69 0.00 0.00 174.62 175.70 1sh0 s VAL 395 N 2.68 4.40 -0.02 3.82 -7.23 0.55 -1.29 120.40 123.32 1sh0 s VAL 395 Ca 0.45 1.70 0.03 0.00 -1.81 0.00 0.00 61.98 62.36 1sh0 s VAL 395 Cb -0.16 -4.10 -0.01 0.00 0.56 0.00 0.00 36.38 32.67 1sh0 s VAL 395 CO 0.11 -0.05 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.85 1sh0 s THR 396 N 2.57 0.89 -0.17 5.32 2.01 -0.17 -1.56 115.64 124.53 1sh0 s THR 396 Ca 0.53 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1sh0 s THR 396 Cb -0.22 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1sh0 s THR 396 CO 0.18 0.26 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.73 1sh0 s ARG 397 N -0.13 3.62 0.46 4.92 3.52 -1.26 -0.46 118.95 129.62 1sh0 s ARG 397 Ca 0.02 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 1sh0 s ARG 397 Cb -0.06 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1sh0 s ARG 397 CO -0.00 0.16 0.02 0.16 -0.81 0.00 0.00 175.30 174.83 1sh0 s ASP 398 N 0.56 3.85 0.55 -2.12 -4.77 -0.51 -5.00 116.67 109.23 1sh0 s ASP 398 Ca -0.03 -1.55 0.30 0.00 -3.30 0.00 0.00 52.55 47.98 1sh0 s ASP 398 Cb -0.14 0.18 1.47 0.00 -1.09 0.00 0.00 42.92 43.33 1sh0 s ASP 398 CO 0.03 -0.71 1.90 -0.65 0.70 0.00 0.00 175.17 176.43 1sh0 h PRO 399 N 1.57 0.00 0.00 2.11 0.11 -2.04 0.09 132.00 133.83 1sh0 h PRO 399 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sh0 h PRO 399 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sh0 h PRO 399 CO 0.75 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.43 1sh0 n ALA 400 N -2.62 2.45 0.00 -0.75 0.00 -1.26 -5.04 120.51 113.29 1sh0 n ALA 400 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1sh0 n ALA 400 Cb 0.86 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1sh0 n ALA 400 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sh0 n GLY 401 N 1.38 0.94 3.87 0.00 0.00 0.02 -5.10 105.19 106.29 1sh0 n GLY 401 Ca 0.06 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1sh0 n GLY 401 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sh0 s TRP 402 N -1.89 3.55 0.23 1.61 0.52 -1.26 -1.42 118.94 120.27 1sh0 s TRP 402 Ca 0.00 0.79 -0.21 0.00 0.02 0.00 0.00 56.10 56.70 1sh0 s TRP 402 Cb 0.00 -2.17 0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1sh0 s TRP 402 CO 0.00 0.46 0.65 -0.59 0.02 0.00 0.00 176.95 177.49 1sh0 s PHE 403 N -1.51 -0.29 -0.23 -1.98 -0.71 0.39 -3.74 117.98 109.92 1sh0 s PHE 403 Ca 0.37 -0.06 -0.13 0.00 -1.04 0.00 0.00 56.93 56.06 1sh0 s PHE 403 Cb -0.13 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 1sh0 s PHE 403 CO 0.20 -1.05 0.27 0.20 -1.34 0.00 0.00 175.22 173.49 1sh0 s GLY 404 N -2.86 2.00 -0.37 1.99 0.00 -1.26 -1.00 107.32 105.82 1sh0 s GLY 404 Ca 0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 1sh0 s GLY 404 CO -0.01 0.63 0.25 1.25 0.00 0.00 0.00 173.10 175.22 1sh0 s LYS 405 N 1.32 3.11 0.25 2.90 2.20 -0.41 -4.89 119.74 124.21 1sh0 s LYS 405 Ca 0.12 -0.91 -0.31 0.00 -0.36 0.00 0.00 55.97 54.52 1sh0 s LYS 405 Cb -0.14 -3.84 -0.12 0.00 -1.51 0.00 0.00 37.83 32.22 1sh0 s LYS 405 CO 0.07 -0.63 1.65 -1.17 -0.36 0.00 0.00 175.35 174.91 1sh0 s LEU 406 N 1.66 4.36 0.27 5.43 2.96 -1.26 -0.36 118.68 131.73 1sh0 s LEU 406 Ca 0.05 2.89 -0.30 0.00 -0.22 0.00 0.00 54.13 56.55 1sh0 s LEU 406 Cb -0.18 -3.62 -0.13 0.00 0.50 0.00 0.00 46.19 42.76 1sh0 s LEU 406 CO 0.09 -0.93 1.41 -0.62 -1.32 0.00 0.00 176.35 174.97 1sh0 n GLU 407 N 3.09 2.16 -0.34 1.98 1.02 -0.40 -4.85 120.64 123.30 1sh0 n GLU 407 Ca 0.12 0.76 0.05 0.00 -0.02 0.00 0.00 57.16 58.08 1sh0 n GLU 407 Cb 0.36 -2.42 0.23 0.00 -0.02 0.00 0.00 31.44 29.59 1sh0 n GLU 407 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1sh0 h GLN 408 N 3.91 1.01 -0.09 3.49 4.20 -1.91 -1.60 115.11 124.11 1sh0 h GLN 408 Ca -0.46 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.09 1sh0 h GLN 408 Cb 1.27 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1sh0 h GLN 408 CO 0.73 0.67 -0.40 0.66 -0.67 0.00 0.00 178.83 179.82 1sh0 h SER 409 N 1.04 0.19 -0.45 1.46 4.64 -1.98 0.77 113.55 119.22 1sh0 h SER 409 Ca 0.44 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.57 1sh0 h SER 409 Cb 0.31 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1sh0 h SER 409 CO -0.19 0.57 -0.16 0.28 -0.87 0.00 0.00 176.83 176.46 1sh0 h SER 410 N 0.16 0.95 -0.00 4.97 0.02 -1.69 -0.81 113.55 117.15 1sh0 h SER 410 Ca 0.01 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1sh0 h SER 410 Cb 0.77 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1sh0 h SER 410 CO 0.06 1.10 0.00 0.40 -1.14 0.00 0.00 176.83 177.25 1sh0 h ILE 411 N 0.83 1.23 -0.72 3.27 2.04 -0.97 -3.22 117.51 119.98 1sh0 h ILE 411 Ca 0.12 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1sh0 h ILE 411 Cb 0.71 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1sh0 h ILE 411 CO 0.05 0.18 0.41 -0.07 0.00 0.00 0.00 178.15 178.72 1sh0 h LEU 412 N -0.28 0.89 -0.88 1.44 3.38 -0.84 -2.25 115.31 116.78 1sh0 h LEU 412 Ca 0.00 -0.09 0.20 0.00 0.09 0.00 0.00 57.88 58.09 1sh0 h LEU 412 Cb 0.29 -0.23 -0.12 0.00 0.09 0.00 0.00 40.66 40.70 1sh0 h LEU 412 CO 0.00 0.72 0.38 -0.09 0.09 0.00 0.00 178.44 179.54 1sh0 h ARG 413 N 0.99 0.41 0.00 1.13 2.43 -1.19 -0.53 114.38 117.62 1sh0 h ARG 413 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1sh0 h ARG 413 Cb 0.02 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1sh0 h ARG 413 CO -0.04 0.27 0.00 1.04 -1.51 0.00 0.00 179.97 179.73 1sh0 n GLN 414 N -5.02 0.27 -0.11 0.20 6.02 -0.87 -2.52 117.38 115.34 1sh0 n GLN 414 Ca 0.21 0.23 -0.10 0.00 -0.01 0.00 0.00 57.00 57.32 1sh0 n GLN 414 Cb 0.60 -1.82 0.03 0.00 1.02 0.00 0.00 30.24 30.08 1sh0 n GLN 414 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1sh0 h MET 415 N 0.00 0.88 0.00 -1.09 2.86 -0.83 -3.34 114.93 113.40 1sh0 h MET 415 Ca 0.00 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1sh0 h MET 415 Cb 0.73 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1sh0 h MET 415 CO 0.00 1.04 -1.25 0.66 1.06 0.00 0.00 176.91 178.43 1sh0 n TYR 416 N -4.09 0.27 -4.69 -0.22 4.01 -1.16 -4.75 117.16 106.53 1sh0 n TYR 416 Ca -0.01 0.08 -0.24 0.00 -0.16 0.00 0.00 57.90 57.58 1sh0 n TYR 416 Cb 0.48 -0.48 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 1sh0 n TYR 416 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1sh0 s TRP 417 N -3.27 1.40 0.14 -0.72 0.52 -1.05 -1.74 118.94 114.22 1sh0 s TRP 417 Ca 0.01 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.81 1sh0 s TRP 417 Cb 0.14 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 1sh0 s TRP 417 CO 0.83 -0.08 0.01 -0.08 0.02 0.00 0.00 176.95 177.65 1sh0 s THR 418 N -0.12 0.46 0.22 2.01 -1.32 -0.31 -4.59 115.64 112.00 1sh0 s THR 418 Ca 0.01 -1.94 -0.11 0.00 -1.21 0.00 0.00 61.69 58.44 1sh0 s THR 418 Cb -0.08 -2.01 -0.07 0.00 -1.51 0.00 0.00 72.50 68.82 1sh0 s THR 418 CO 0.00 -0.55 0.56 -0.13 -2.21 0.00 0.00 174.62 172.30 1sh0 s ARG 419 N -3.95 3.86 0.00 7.08 0.52 -1.26 -0.90 118.95 124.30 1sh0 s ARG 419 Ca 0.22 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1sh0 s ARG 419 Cb 0.07 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1sh0 s ARG 419 CO 0.01 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.09 1sh0 n GLY 420 N 0.06 3.30 3.82 -3.53 0.00 0.18 -4.90 105.19 104.12 1sh0 n GLY 420 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1sh0 n GLY 420 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sh0 s PRO 421 N 0.50 1.42 0.07 1.61 0.04 -1.26 -4.76 135.00 132.62 1sh0 s PRO 421 Ca 0.00 0.26 -0.31 0.00 0.04 0.00 0.00 61.00 60.99 1sh0 s PRO 421 Cb 0.00 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1sh0 s PRO 421 CO 0.00 -2.00 1.33 -0.80 0.04 0.00 0.00 177.00 175.57 1sh0 s ASN 422 N -4.18 6.91 0.36 6.66 0.01 -1.26 -4.59 114.94 118.85 1sh0 s ASN 422 Ca 0.63 2.17 -0.03 0.00 -0.71 0.00 0.00 52.86 54.92 1sh0 s ASN 422 Cb -0.14 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.96 1sh0 s ASN 422 CO 0.52 -0.61 0.52 -1.38 -1.51 0.00 0.00 177.10 174.64 1sh0 s HIS 423 N 1.42 0.99 0.00 2.20 -3.43 -0.71 -4.95 115.29 110.81 1sh0 s HIS 423 Ca 0.62 -1.27 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 1sh0 s HIS 423 Cb -0.33 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.84 1sh0 s HIS 423 CO 0.29 -1.21 0.76 0.39 -2.00 0.00 0.00 174.74 172.96 1sh0 n GLU 424 N -0.58 1.32 -3.75 -0.38 1.02 -1.26 -1.08 120.64 115.93 1sh0 n GLU 424 Ca -0.00 -1.04 -0.30 0.00 -0.02 0.00 0.00 57.16 55.80 1sh0 n GLU 424 Cb 0.61 -0.95 -0.14 0.00 -0.02 0.00 0.00 31.44 30.94 1sh0 n GLU 424 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh0 s ASP 425 N -0.56 3.87 0.00 1.62 -1.08 -1.26 -4.57 116.67 114.70 1sh0 s ASP 425 Ca 0.00 -2.32 0.10 0.00 -0.52 0.00 0.00 52.55 49.80 1sh0 s ASP 425 Cb 0.00 -1.06 0.52 0.00 -1.46 0.00 0.00 42.92 40.93 1sh0 s ASP 425 CO 0.00 -0.32 1.15 -2.65 0.52 0.00 0.00 175.17 173.87 1sh0 n PRO 426 N 3.95 0.19 0.05 4.34 -0.02 -1.26 -1.66 135.00 140.59 1sh0 n PRO 426 Ca 0.05 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1sh0 n PRO 426 Cb 0.37 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.75 1sh0 n PRO 426 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sh0 n SER 427 N -1.19 0.52 -4.82 2.55 3.41 -1.26 -4.06 113.62 108.77 1sh0 n SER 427 Ca 0.06 0.36 -0.33 0.00 -0.26 0.00 0.00 58.87 58.70 1sh0 n SER 427 Cb 0.06 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1sh0 n SER 427 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sh0 s GLU 428 N -3.07 4.05 0.02 4.33 0.41 -0.67 -4.82 118.70 118.95 1sh0 s GLU 428 Ca 0.11 1.14 -0.11 0.00 -0.41 0.00 0.00 54.97 55.69 1sh0 s GLU 428 Cb 0.15 -2.15 -0.05 0.00 -1.78 0.00 0.00 34.13 30.30 1sh0 s GLU 428 CO 0.62 -0.19 0.37 0.95 -0.49 0.00 0.00 175.26 176.51 1sh0 s THR 429 N -2.24 5.12 0.55 3.63 -4.23 -1.26 -1.51 115.64 115.69 1sh0 s THR 429 Ca 0.62 0.58 -0.18 0.00 -1.18 0.00 0.00 61.69 61.54 1sh0 s THR 429 Cb -0.11 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 1sh0 s THR 429 CO 0.19 0.45 1.06 -0.32 -0.54 0.00 0.00 174.62 175.46 1sh0 s MET 430 N -1.46 3.48 0.69 3.99 1.75 -0.32 -4.90 119.30 122.52 1sh0 s MET 430 Ca 0.27 1.29 -0.11 0.00 -1.25 0.00 0.00 55.69 55.89 1sh0 s MET 430 Cb -0.15 -2.05 0.00 0.00 2.84 0.00 0.00 34.83 35.47 1sh0 s MET 430 CO 0.15 -0.69 1.06 0.96 -0.65 0.00 0.00 175.02 175.84 1sh0 s ILE 431 N -2.24 4.06 0.18 10.11 -4.36 -1.26 -4.84 121.20 122.85 1sh0 s ILE 431 Ca 0.66 0.67 -0.33 0.00 -0.26 0.00 0.00 60.65 61.39 1sh0 s ILE 431 Cb -0.17 -3.52 -0.15 0.00 1.25 0.00 0.00 42.46 39.87 1sh0 s ILE 431 CO 0.30 -0.87 1.24 -2.65 0.24 0.00 0.00 174.94 173.20 1sh0 n PRO 432 N -3.03 1.37 -4.12 0.37 -0.02 -1.26 -5.00 135.00 123.32 1sh0 n PRO 432 Ca 0.07 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 1sh0 n PRO 432 Cb 0.54 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.85 1sh0 n PRO 432 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1sh0 s HIS 433 N -0.09 0.47 0.44 6.00 2.46 -1.26 -5.06 115.29 118.25 1sh0 s HIS 433 Ca 0.73 -0.17 0.11 0.00 0.47 0.00 0.00 55.06 56.21 1sh0 s HIS 433 Cb -0.81 -0.30 0.99 0.00 -0.13 0.00 0.00 32.58 32.33 1sh0 s HIS 433 CO 0.51 -0.02 2.04 0.66 -2.47 0.00 0.00 174.74 175.46 1sh0 h SER 434 N 5.72 0.20 1.22 9.88 4.64 -2.04 -1.56 113.55 131.61 1sh0 h SER 434 Ca -0.29 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1sh0 h SER 434 Cb 1.20 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1sh0 h SER 434 CO 0.48 0.22 -0.01 0.06 -0.87 0.00 0.00 176.83 176.72 1sh0 h GLN 435 N 0.23 0.00 -0.13 4.77 -0.00 -2.01 -3.36 115.11 114.61 1sh0 h GLN 435 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.65 1sh0 h GLN 435 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.59 1sh0 h GLN 435 CO -0.00 0.01 -0.13 -0.09 -0.00 0.00 0.00 178.83 178.62 1sh0 h ARG 436 N 0.00 0.31 0.00 0.06 9.65 -1.71 -1.09 114.38 121.61 1sh0 h ARG 436 Ca -0.00 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1sh0 h ARG 436 Cb 0.62 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1sh0 h ARG 436 CO 0.00 0.71 -0.04 -1.35 2.80 0.00 0.00 179.97 182.10 1sh0 h PRO 437 N -0.07 0.00 -0.18 0.20 0.11 -1.71 0.88 132.00 131.23 1sh0 h PRO 437 Ca 0.02 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1sh0 h PRO 437 Cb 0.66 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1sh0 h PRO 437 CO 0.03 0.04 -0.14 0.82 -0.21 0.00 0.00 178.00 178.54 1sh0 h ILE 438 N 0.00 1.33 -0.71 4.15 2.04 -1.65 -1.11 117.51 121.55 1sh0 h ILE 438 Ca -0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1sh0 h ILE 438 Cb 0.07 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1sh0 h ILE 438 CO 0.00 0.38 0.45 -0.61 0.00 0.00 0.00 178.15 178.38 1sh0 h GLN 439 N 0.07 0.94 -0.46 2.37 4.15 -0.86 -2.10 115.11 119.23 1sh0 h GLN 439 Ca 0.03 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1sh0 h GLN 439 Cb 0.65 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1sh0 h GLN 439 CO 0.04 0.64 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.47 1sh0 h LEU 440 N 0.96 0.76 -0.29 -2.39 3.38 -0.77 -0.42 115.31 116.54 1sh0 h LEU 440 Ca 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sh0 h LEU 440 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1sh0 h LEU 440 CO -0.05 0.85 0.17 -0.03 0.09 0.00 0.00 178.44 179.46 1sh0 h MET 441 N 0.72 0.41 -0.45 1.13 4.05 -1.01 0.61 114.93 120.38 1sh0 h MET 441 Ca 0.13 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1sh0 h MET 441 Cb 0.50 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 1sh0 h MET 441 CO 0.03 0.34 0.04 0.66 0.23 0.00 0.00 176.91 178.21 1sh0 h SER 442 N 0.36 0.67 -0.13 1.39 4.64 -1.05 -0.40 113.55 119.04 1sh0 h SER 442 Ca 0.10 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1sh0 h SER 442 Cb 0.05 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1sh0 h SER 442 CO -0.02 0.72 -0.20 -0.07 -0.87 0.00 0.00 176.83 176.39 1sh0 h LEU 443 N 0.68 0.54 -0.80 5.97 3.38 -0.84 -1.81 115.31 122.44 1sh0 h LEU 443 Ca 0.14 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sh0 h LEU 443 Cb 0.36 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1sh0 h LEU 443 CO 0.01 0.75 0.35 -0.07 0.09 0.00 0.00 178.44 179.56 1sh0 h LEU 444 N 0.49 1.07 -0.76 1.67 3.38 -0.31 -0.76 115.31 120.09 1sh0 h LEU 444 Ca 0.08 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.98 1sh0 h LEU 444 Cb 0.62 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1sh0 h LEU 444 CO 0.04 0.93 0.41 1.23 0.09 0.00 0.00 178.44 181.14 1sh0 h GLY 445 N 1.14 1.16 1.20 0.83 0.00 -0.55 -0.89 103.07 105.95 1sh0 h GLY 445 Ca 0.27 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1sh0 h GLY 445 CO -0.03 0.09 -0.26 0.83 0.00 0.00 0.00 176.54 177.18 1sh0 h GLU 446 N 0.69 0.91 -0.07 4.80 4.39 -1.06 -3.12 114.58 121.12 1sh0 h GLU 446 Ca 0.37 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1sh0 h GLU 446 Cb 0.36 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1sh0 h GLU 446 CO -0.26 1.06 -0.15 0.00 -1.16 0.00 0.00 179.01 178.50 1sh0 h ALA 447 N 0.92 1.63 0.00 3.43 0.00 -0.48 -2.81 119.26 121.95 1sh0 h ALA 447 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1sh0 h ALA 447 Cb 0.82 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1sh0 h ALA 447 CO 0.07 0.28 -0.10 0.00 0.00 0.00 0.00 179.25 179.50 1sh0 h ALA 448 N 1.75 1.42 0.00 0.00 0.00 -1.12 -2.08 119.26 119.23 1sh0 h ALA 448 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sh0 h ALA 448 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sh0 h ALA 448 CO 0.02 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.67 1sh0 n LEU 449 N -3.81 0.00 0.00 0.00 4.77 -1.06 -4.77 117.00 112.13 1sh0 n LEU 449 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1sh0 n LEU 449 Cb 0.20 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1sh0 n LEU 449 CO 0.30 -0.03 0.00 1.41 -1.33 0.00 0.00 177.39 177.75 1sh0 n HIS 450 N -1.13 -1.82 -1.53 -1.77 8.25 -0.78 -4.99 115.22 111.46 1sh0 n HIS 450 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.31 1sh0 n HIS 450 Cb 0.13 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.33 1sh0 n HIS 450 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1sh0 s GLY 451 N -1.58 1.63 0.39 -1.41 0.00 -1.26 -4.85 107.32 100.24 1sh0 s GLY 451 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.64 1sh0 s GLY 451 CO 0.00 0.27 2.03 -0.56 0.00 0.00 0.00 173.10 174.84 1sh0 h PRO 452 N -1.06 0.61 -0.34 2.90 0.13 -1.94 -1.35 132.00 130.96 1sh0 h PRO 452 Ca -0.47 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1sh0 h PRO 452 Cb 1.26 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 1sh0 h PRO 452 CO 0.58 0.43 -0.04 0.00 -0.23 0.00 0.00 178.00 178.74 1sh0 h ALA 453 N 1.68 0.27 -0.38 -0.56 0.00 -1.99 0.23 119.26 118.51 1sh0 h ALA 453 Ca 0.17 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1sh0 h ALA 453 Cb -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sh0 h ALA 453 CO -0.03 -0.43 -0.32 0.35 0.00 0.00 0.00 179.25 178.82 1sh0 h PHE 454 N 0.05 0.99 -0.29 0.00 3.57 -1.75 -2.39 116.94 117.11 1sh0 h PHE 454 Ca 0.16 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1sh0 h PHE 454 Cb 0.24 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1sh0 h PHE 454 CO -0.28 1.04 0.13 -0.92 -2.23 0.00 0.00 178.31 176.06 1sh0 h TYR 455 N 0.71 0.44 -0.82 0.41 3.20 -0.94 -1.34 116.97 118.63 1sh0 h TYR 455 Ca 0.08 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1sh0 h TYR 455 Cb 0.87 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 1sh0 h TYR 455 CO 0.05 0.42 0.53 1.03 -1.64 0.00 0.00 178.16 178.55 1sh0 h SER 456 N 0.33 0.89 -0.26 -2.11 0.87 -0.96 0.17 113.55 112.48 1sh0 h SER 456 Ca 0.10 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1sh0 h SER 456 Cb 0.16 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1sh0 h SER 456 CO -0.01 0.62 0.15 0.50 -0.53 0.00 0.00 176.83 177.56 1sh0 h LYS 457 N 1.04 0.35 -0.53 2.24 3.64 -1.20 -1.24 116.57 120.87 1sh0 h LYS 457 Ca 0.32 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1sh0 h LYS 457 Cb -0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1sh0 h LYS 457 CO -0.10 0.29 0.18 0.82 -2.27 0.00 0.00 179.45 178.37 1sh0 h ILE 458 N 0.32 1.23 -0.47 2.00 1.08 -0.98 -2.62 117.51 118.07 1sh0 h ILE 458 Ca 0.09 -0.75 0.09 0.00 -0.39 0.00 0.00 64.86 63.91 1sh0 h ILE 458 Cb 0.03 0.71 -0.09 0.00 -3.07 0.00 0.00 36.82 34.40 1sh0 h ILE 458 CO -0.02 0.28 -0.10 0.28 -0.69 0.00 0.00 178.15 177.91 1sh0 h SER 459 N 0.73 -0.40 -0.48 1.72 0.02 -0.73 -0.47 113.55 113.95 1sh0 h SER 459 Ca 0.17 0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1sh0 h SER 459 Cb 0.25 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1sh0 h SER 459 CO -0.01 -0.14 0.07 0.11 -1.14 0.00 0.00 176.83 175.72 1sh0 h LYS 460 N 0.02 0.79 -0.22 3.45 1.57 -1.13 -1.31 116.57 119.74 1sh0 h LYS 460 Ca 0.23 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1sh0 h LYS 460 Cb 0.35 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1sh0 h LYS 460 CO -0.47 0.80 0.09 -0.07 -0.57 0.00 0.00 179.45 179.23 1sh0 h LEU 461 N 0.66 0.11 0.32 2.94 3.38 -1.08 -0.88 115.31 120.75 1sh0 h LEU 461 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1sh0 h LEU 461 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sh0 h LEU 461 CO 0.01 0.09 -0.18 0.58 0.09 0.00 0.00 178.44 179.03 1sh0 h VAL 462 N 0.20 0.62 -0.52 1.22 2.07 -0.90 -0.53 116.25 118.39 1sh0 h VAL 462 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1sh0 h VAL 462 Cb 0.05 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1sh0 h VAL 462 CO -0.09 0.00 0.23 0.40 0.02 0.00 0.00 177.57 178.13 1sh0 h ILE 463 N -0.48 0.88 -0.07 4.57 2.04 -1.22 -2.02 117.51 121.22 1sh0 h ILE 463 Ca -0.04 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1sh0 h ILE 463 Cb 0.39 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1sh0 h ILE 463 CO 0.04 0.08 0.03 0.00 0.00 0.00 0.00 178.15 178.30 1sh0 h ALA 464 N 1.32 0.09 -0.33 1.87 0.00 -0.98 -0.69 119.26 120.55 1sh0 h ALA 464 Ca 0.24 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1sh0 h ALA 464 Cb 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1sh0 h ALA 464 CO -0.21 -0.34 -0.05 1.49 0.00 0.00 0.00 179.25 180.14 1sh0 h GLU 465 N -0.04 0.04 -0.01 0.00 4.81 -0.88 -2.04 114.58 116.45 1sh0 h GLU 465 Ca 0.02 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.10 1sh0 h GLU 465 Cb 0.15 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1sh0 h GLU 465 CO -0.00 0.02 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.52 1sh0 h LEU 466 N 0.04 0.08 -0.67 1.64 3.38 -1.28 -2.97 115.31 115.52 1sh0 h LEU 466 Ca 0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1sh0 h LEU 466 Cb 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1sh0 h LEU 466 CO -0.31 0.76 0.33 0.50 0.09 0.00 0.00 178.44 179.81 1sh0 h LYS 467 N 0.04 0.97 -0.52 1.13 3.64 -0.72 0.48 116.57 121.58 1sh0 h LYS 467 Ca -0.01 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1sh0 h LYS 467 Cb 1.25 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1sh0 h LYS 467 CO 0.10 0.76 0.35 1.49 -2.27 0.00 0.00 179.45 179.88 1sh0 h GLU 468 N 0.93 0.41 -0.48 1.90 4.81 -1.21 0.89 114.58 121.83 1sh0 h GLU 468 Ca 0.23 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1sh0 h GLU 468 Cb 0.11 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1sh0 h GLU 468 CO -0.03 0.27 0.00 0.41 -0.73 0.00 0.00 179.01 178.93 1sh0 n GLY 469 N -1.51 1.23 1.96 1.92 0.00 -0.99 -4.93 105.19 102.87 1sh0 n GLY 469 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1sh0 n GLY 469 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh0 n GLY 470 N 1.12 0.40 3.42 -0.02 0.00 0.31 -4.95 105.19 105.47 1sh0 n GLY 470 Ca 0.15 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 1sh0 n GLY 470 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sh0 s MET 471 N -1.83 3.53 -0.32 1.61 0.00 0.16 -4.96 119.30 117.49 1sh0 s MET 471 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 55.69 54.91 1sh0 s MET 471 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 34.83 31.99 1sh0 s MET 471 CO 0.00 0.16 0.57 -0.51 0.00 0.00 0.00 175.02 175.24 1sh0 s ASP 472 N 0.53 6.41 -0.22 1.11 1.01 -1.26 -2.35 116.67 121.90 1sh0 s ASP 472 Ca -0.05 0.24 -0.05 0.00 0.71 0.00 0.00 52.55 53.41 1sh0 s ASP 472 Cb -0.15 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1sh0 s ASP 472 CO 0.03 -0.46 -0.02 0.12 0.21 0.00 0.00 175.17 175.06 1sh0 s PHE 473 N 2.49 2.99 -0.30 4.23 5.36 -1.26 -5.08 117.98 126.41 1sh0 s PHE 473 Ca 0.22 -0.73 -0.27 0.00 -0.96 0.00 0.00 56.93 55.18 1sh0 s PHE 473 Cb -0.15 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1sh0 s PHE 473 CO 0.12 -0.44 0.99 -0.47 -1.46 0.00 0.00 175.22 173.96 1sh0 s TYR 474 N 1.37 3.19 -0.26 10.12 5.04 -1.26 -4.88 117.35 130.67 1sh0 s TYR 474 Ca 0.04 1.12 -0.22 0.00 -2.44 0.00 0.00 57.07 55.58 1sh0 s TYR 474 Cb -0.14 -3.50 -0.01 0.00 0.35 0.00 0.00 41.96 38.65 1sh0 s TYR 474 CO -0.01 -0.67 0.72 0.08 -1.34 0.00 0.00 175.55 174.33 1sh0 s VAL 475 N 3.40 4.90 0.33 3.14 1.01 -1.26 -5.05 120.40 126.88 1sh0 s VAL 475 Ca 0.42 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 1sh0 s VAL 475 Cb -0.13 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.10 1sh0 s VAL 475 CO 0.13 -0.05 1.37 -2.65 0.00 0.00 0.00 175.10 173.90 1sh0 n PRO 476 N 5.89 2.28 -1.03 2.72 -0.02 -1.26 -4.97 135.00 138.62 1sh0 n PRO 476 Ca 0.02 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 1sh0 n PRO 476 Cb 0.48 -2.44 0.12 0.00 -0.02 0.00 0.00 33.50 31.65 1sh0 n PRO 476 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sh0 n ARG 477 N 0.81 0.04 -0.15 -0.52 5.12 -1.26 -4.84 116.66 115.86 1sh0 n ARG 477 Ca 0.05 0.08 -0.08 0.00 -1.93 0.00 0.00 57.85 55.97 1sh0 n ARG 477 Cb 0.36 -2.22 0.00 0.00 -1.16 0.00 0.00 32.46 29.45 1sh0 n ARG 477 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1sh0 h GLN 478 N -1.04 0.64 0.06 5.56 4.15 -1.98 -2.81 115.11 119.68 1sh0 h GLN 478 Ca -0.45 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 58.87 1sh0 h GLN 478 Cb 1.30 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1sh0 h GLN 478 CO 0.43 0.54 -0.03 1.49 -1.93 0.00 0.00 178.83 179.33 1sh0 h GLU 479 N 0.58 -0.08 -0.52 1.69 4.81 -1.96 0.25 114.58 119.35 1sh0 h GLU 479 Ca 0.15 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1sh0 h GLU 479 Cb 0.11 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1sh0 h GLU 479 CO -0.02 0.01 0.30 -1.35 -0.73 0.00 0.00 179.01 177.22 1sh0 h PRO 480 N -0.15 0.71 -0.47 0.92 0.11 -1.89 0.22 132.00 131.46 1sh0 h PRO 480 Ca -0.01 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1sh0 h PRO 480 Cb 0.13 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1sh0 h PRO 480 CO 0.01 0.52 0.02 1.98 -0.21 0.00 0.00 178.00 180.32 1sh0 h MET 481 N 0.72 0.81 -0.61 1.05 4.05 -1.18 -1.46 114.93 118.31 1sh0 h MET 481 Ca 0.19 -0.25 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 1sh0 h MET 481 Cb 0.00 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1sh0 h MET 481 CO -0.03 0.85 0.07 0.35 0.23 0.00 0.00 176.91 178.38 1sh0 h PHE 482 N 0.66 1.08 -0.48 1.39 3.04 0.00 0.83 116.94 123.47 1sh0 h PHE 482 Ca 0.14 -0.15 -0.09 0.00 3.98 0.00 0.00 57.97 61.84 1sh0 h PHE 482 Cb 0.47 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1sh0 h PHE 482 CO 0.04 0.93 -0.08 0.00 -2.02 0.00 0.00 178.31 177.17 1sh0 h ARG 483 N 0.95 0.85 -0.17 1.11 3.08 -0.47 -2.29 114.38 117.44 1sh0 h ARG 483 Ca 0.18 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1sh0 h ARG 483 Cb 0.45 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1sh0 h ARG 483 CO 0.02 0.91 -0.09 2.35 -1.07 0.00 0.00 179.97 182.08 1sh0 h TRP 484 N 0.77 0.42 0.28 3.04 2.91 -0.93 -1.99 115.95 120.45 1sh0 h TRP 484 Ca 0.13 -0.11 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1sh0 h TRP 484 Cb 0.59 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.14 1sh0 h TRP 484 CO 0.03 0.68 -0.13 1.98 -1.03 0.00 0.00 178.44 179.97 1sh0 h MET 485 N 0.03 -0.36 0.10 2.65 4.05 -0.78 -1.32 114.93 119.31 1sh0 h MET 485 Ca 0.04 0.02 -0.30 0.00 -0.28 0.00 0.00 59.70 59.18 1sh0 h MET 485 Cb 0.57 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1sh0 h MET 485 CO 0.03 -0.23 -1.52 0.00 0.23 0.00 0.00 176.91 175.42 1sh0 h ARG 486 N -0.39 0.21 -0.00 0.39 3.08 -1.54 -3.40 114.38 112.73 1sh0 h ARG 486 Ca -0.04 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1sh0 h ARG 486 Cb 0.30 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1sh0 h ARG 486 CO 0.06 1.06 -0.06 1.19 -1.07 0.00 0.00 179.97 181.16 1sh0 n PHE 487 N -3.42 0.00 -2.30 3.04 3.72 -0.79 -5.00 117.46 112.72 1sh0 n PHE 487 Ca -0.16 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.04 1sh0 n PHE 487 Cb 1.04 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.56 1sh0 n PHE 487 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sh0 n SER 488 N -0.49 -5.78 -4.83 4.37 7.64 -0.50 -4.97 113.62 109.06 1sh0 n SER 488 Ca 0.01 0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.55 1sh0 n SER 488 Cb 0.05 -4.83 -0.06 0.00 -1.01 0.00 0.00 64.21 58.36 1sh0 n SER 488 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sh0 s ASP 489 N -2.16 6.80 -0.03 6.43 2.15 -0.97 -4.92 116.67 123.97 1sh0 s ASP 489 Ca 0.00 0.95 0.04 0.00 0.43 0.00 0.00 52.55 53.97 1sh0 s ASP 489 Cb 0.00 -2.25 0.07 0.00 -0.30 0.00 0.00 42.92 40.43 1sh0 s ASP 489 CO 0.00 0.30 0.90 0.18 -0.17 0.00 0.00 175.17 176.38 1sh0 n LEU 490 N 1.96 0.93 0.22 -1.34 4.77 -1.26 -2.92 117.00 119.36 1sh0 n LEU 490 Ca -0.14 -1.40 0.07 0.00 -0.03 0.00 0.00 56.01 54.51 1sh0 n LEU 490 Cb 0.52 -0.10 0.50 0.00 -2.33 0.00 0.00 43.42 42.02 1sh0 n LEU 490 CO 0.38 0.34 0.84 0.77 -1.33 0.00 0.00 177.39 178.39 1sh0 h SER 491 N 0.00 0.00 -0.53 -1.43 4.64 -1.97 -2.39 113.55 111.87 1sh0 h SER 491 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sh0 h SER 491 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1sh0 h SER 491 CO 0.00 0.25 0.00 0.35 -0.87 0.00 0.00 176.83 176.56 1sh0 n THR 492 N -3.96 1.09 -2.15 2.95 -2.24 -1.26 -4.99 114.28 103.72 1sh0 n THR 492 Ca -0.02 -1.04 -0.41 0.00 -2.27 0.00 0.00 64.05 60.31 1sh0 n THR 492 Cb 0.32 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1sh0 n THR 492 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1sh0 s TRP 493 N -1.11 3.17 -0.19 4.78 -0.11 -0.90 -4.85 118.94 119.73 1sh0 s TRP 493 Ca 0.37 1.22 -0.13 0.00 1.22 0.00 0.00 56.10 58.77 1sh0 s TRP 493 Cb 0.20 -3.66 -0.05 0.00 -1.50 0.00 0.00 33.47 28.46 1sh0 s TRP 493 CO 0.24 -2.04 0.28 -1.21 -4.62 0.00 0.00 176.95 169.60 1sh0 s GLU 494 N -0.54 4.20 2.09 5.86 2.02 -1.26 -4.97 118.70 126.10 1sh0 s GLU 494 Ca 0.56 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.58 1sh0 s GLU 494 Cb -0.38 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1sh0 s GLU 494 CO 0.42 0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1sh0 n GLY 495 N 3.70 -1.23 3.48 -1.39 0.00 -1.26 -4.80 105.19 103.69 1sh0 n GLY 495 Ca -0.12 -1.26 -0.48 0.00 0.00 0.00 0.00 46.02 44.16 1sh0 n GLY 495 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sh0 n ASP 496 N -0.33 2.38 0.27 1.61 2.03 -1.26 -4.84 116.55 116.41 1sh0 n ASP 496 Ca 0.00 0.32 0.15 0.00 0.52 0.00 0.00 54.79 55.78 1sh0 n ASP 496 Cb 0.00 -1.34 0.78 0.00 -0.72 0.00 0.00 41.12 39.84 1sh0 n ASP 496 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1sh0 h ARG 497 N 13.29 0.00 0.00 -0.67 3.08 -1.94 -2.10 114.38 126.04 1sh0 h ARG 497 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1sh0 h ARG 497 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1sh0 h ARG 497 CO 1.02 0.09 0.00 0.09 -1.07 0.00 0.00 179.97 180.09 1sh0 n ASN 498 N -3.45 0.43 0.11 7.04 3.02 -1.26 -2.13 115.26 119.02 1sh0 n ASN 498 Ca -0.01 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.32 1sh0 n ASN 498 Cb 0.24 -0.73 0.39 0.00 -0.61 0.00 0.00 39.78 39.06 1sh0 n ASN 498 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sh0 h LEU 499 N 0.00 0.00 -9.74 3.41 3.38 -1.76 -3.46 115.31 107.14 1sh0 h LEU 499 Ca 0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1sh0 h LEU 499 Cb 0.13 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.95 1sh0 h LEU 499 CO 0.00 0.00 0.88 0.00 0.09 0.00 0.00 178.44 179.41 1sh0 s ALA 500 N -3.11 3.76 0.41 1.53 0.00 -0.90 -4.94 121.76 118.51 1sh0 s ALA 500 Ca 0.10 1.49 -0.25 0.00 0.00 0.00 0.00 51.96 53.31 1sh0 s ALA 500 Cb 0.12 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 1sh0 s ALA 500 CO 0.60 -0.89 1.19 -1.25 0.00 0.00 0.00 175.76 175.41 1sh0 s PRO 501 N 0.05 3.98 0.32 0.00 0.04 -1.26 -5.07 135.00 133.06 1sh0 s PRO 501 Ca 0.65 1.87 0.09 0.00 0.04 0.00 0.00 61.00 63.66 1sh0 s PRO 501 Cb -0.46 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1sh0 s PRO 501 CO 0.42 -0.39 -0.02 -1.54 0.04 0.00 0.00 177.00 175.51 1sh0 s SER 502 N -1.13 4.17 -0.02 6.66 1.04 -1.26 -5.01 113.70 118.15 1sh0 s SER 502 Ca 0.58 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 56.10 1sh0 s SER 502 Cb -0.31 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.25 1sh0 s SER 502 CO 0.39 -0.16 -0.09 -0.36 0.98 0.00 0.00 173.24 174.00 1sh0 s PHE 503 N -2.48 0.93 0.87 5.02 0.40 -1.26 -4.95 117.98 116.51 1sh0 s PHE 503 Ca 0.34 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 1sh0 s PHE 503 Cb -0.02 -0.66 0.11 0.00 0.51 0.00 0.00 43.02 42.97 1sh0 s PHE 503 CO 0.19 -0.09 1.09 0.14 0.70 0.00 0.00 175.22 177.25 1sh0 s VAL 504 N 0.17 2.78 0.00 -0.44 -7.23 -1.26 -5.03 120.40 109.40 1sh0 s VAL 504 Ca -0.03 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.40 1sh0 s VAL 504 Cb -0.08 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1sh0 s VAL 504 CO 0.00 -0.33 0.00 0.59 -0.31 0.00 0.00 175.10 175.05 1sh0 n ASN 505 N -3.86 -0.84 -3.39 4.85 3.02 -1.26 -4.64 115.26 109.14 1sh0 n ASN 505 Ca 0.08 -0.52 -0.17 0.00 -0.03 0.00 0.00 54.58 53.94 1sh0 n ASN 505 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1sh0 n ASN 505 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1sh0 n GLU 506 N -1.36 -1.04 0.00 3.52 0.28 0.29 -4.94 120.64 117.39 1sh0 n GLU 506 Ca 0.00 0.49 0.15 0.00 -0.16 0.00 0.00 57.16 57.64 1sh0 n GLU 506 Cb 0.00 -1.49 0.89 0.00 1.43 0.00 0.00 31.44 32.27 1sh0 n GLU 506 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72