#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh2 s THR 7 N 0.00 -0.05 -0.32 2.61 -1.32 -1.26 -2.53 115.64 112.77 1sh2 s THR 7 Ca 0.00 0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.65 1sh2 s THR 7 Cb 0.00 -0.20 0.07 0.00 -1.51 0.00 0.00 72.50 70.85 1sh2 s THR 7 CO 0.00 0.07 0.03 -0.47 -2.21 0.00 0.00 174.62 172.04 1sh2 s TYR 8 N 1.08 3.37 -0.15 9.09 5.04 0.04 -4.71 117.35 131.11 1sh2 s TYR 8 Ca -0.08 -2.13 -0.01 0.00 -2.44 0.00 0.00 57.07 52.40 1sh2 s TYR 8 Cb -0.11 -2.36 0.00 0.00 0.35 0.00 0.00 41.96 39.84 1sh2 s TYR 8 CO -0.05 -0.86 0.10 0.00 -1.34 0.00 0.00 175.55 173.41 1sh2 n GLY 10 N -0.80 2.90 3.81 0.00 0.00 -1.26 -4.65 105.19 105.20 1sh2 n GLY 10 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1sh2 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh2 s ALA 11 N -1.91 3.69 0.38 4.61 0.00 -0.87 -5.01 121.76 122.64 1sh2 s ALA 11 Ca 0.00 -0.32 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 1sh2 s ALA 11 Cb 0.00 -2.34 -0.11 0.00 0.00 0.00 0.00 23.12 20.67 1sh2 s ALA 11 CO 0.00 0.40 1.47 -2.30 0.00 0.00 0.00 175.76 175.33 1sh2 n PRO 12 N 2.30 2.63 -3.39 0.00 -0.02 -1.25 -0.78 135.00 134.50 1sh2 n PRO 12 Ca -0.14 0.92 -0.38 0.00 -2.02 0.00 0.00 63.50 61.88 1sh2 n PRO 12 Cb 0.53 -2.65 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 1sh2 n PRO 12 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1sh2 s ILE 13 N -1.12 4.97 -0.12 4.25 1.01 -1.05 -1.35 121.20 127.79 1sh2 s ILE 13 Ca 0.53 0.98 0.11 0.00 0.00 0.00 0.00 60.65 62.27 1sh2 s ILE 13 Cb -0.48 -3.79 -0.15 0.00 0.01 0.00 0.00 42.46 38.05 1sh2 s ILE 13 CO 0.64 0.52 0.04 0.18 0.00 0.00 0.00 174.94 176.32 1sh2 n LEU 14 N 2.13 0.00 0.00 2.97 4.77 0.29 -4.74 117.00 122.43 1sh2 n LEU 14 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1sh2 n LEU 14 Cb 0.52 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1sh2 n LEU 14 CO 0.40 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1sh2 n GLY 15 N 2.27 -1.29 3.80 -0.72 0.00 -1.14 -5.01 105.19 103.10 1sh2 n GLY 15 Ca -0.19 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1sh2 n GLY 15 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh2 s PRO 16 N -0.63 2.81 0.45 1.61 0.02 -1.26 -0.50 135.00 137.50 1sh2 s PRO 16 Ca 0.00 1.10 -0.20 0.00 0.02 0.00 0.00 61.00 61.92 1sh2 s PRO 16 Cb 0.00 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 1sh2 s PRO 16 CO 0.00 -1.21 0.96 0.20 -0.33 0.00 0.00 177.00 176.62 1sh2 s GLY 17 N -3.38 2.33 0.00 0.52 0.00 -1.23 -3.51 107.32 102.05 1sh2 s GLY 17 Ca 0.61 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1sh2 s GLY 17 CO 0.51 0.65 0.68 -1.26 0.00 0.00 0.00 173.10 173.67 1sh2 n SER 18 N -0.84 0.00 -4.93 1.64 2.88 -1.26 -4.94 113.62 106.17 1sh2 n SER 18 Ca 0.07 -1.46 -0.26 0.00 -1.33 0.00 0.00 58.87 55.89 1sh2 n SER 18 Cb 0.54 -0.09 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1sh2 n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sh2 s ALA 19 N 0.00 3.78 0.66 -1.46 0.00 -1.26 -5.07 121.76 118.41 1sh2 s ALA 19 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1sh2 s ALA 19 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1sh2 s ALA 19 CO 0.00 0.30 0.78 -2.30 0.00 0.00 0.00 175.76 174.54 1sh2 n PRO 20 N -1.00 0.58 -0.79 0.00 -0.02 -1.26 -4.85 135.00 127.67 1sh2 n PRO 20 Ca -0.05 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.36 1sh2 n PRO 20 Cb 0.55 -2.02 0.16 0.00 -0.02 0.00 0.00 33.50 32.17 1sh2 n PRO 20 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1sh2 n LYS 21 N -1.01 -0.29 -2.30 -0.52 2.85 -1.26 -4.94 118.16 110.69 1sh2 n LYS 21 Ca 0.12 -0.01 -0.38 0.00 -1.05 0.00 0.00 58.31 56.99 1sh2 n LYS 21 Cb 0.49 -2.39 -0.02 0.00 -0.65 0.00 0.00 35.03 32.45 1sh2 n LYS 21 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1sh2 s LEU 22 N -6.34 4.18 0.27 -5.58 1.02 -1.26 -4.97 118.68 106.01 1sh2 s LEU 22 Ca 0.69 2.33 -0.30 0.00 0.02 0.00 0.00 54.13 56.87 1sh2 s LEU 22 Cb -0.25 -4.04 -0.10 0.00 0.02 0.00 0.00 46.19 41.82 1sh2 s LEU 22 CO 0.56 -0.68 1.41 -0.55 0.02 0.00 0.00 176.35 177.11 1sh2 s SER 23 N -1.17 6.67 -0.27 2.29 0.15 -1.26 -4.91 113.70 115.20 1sh2 s SER 23 Ca 0.57 2.68 0.12 0.00 0.70 0.00 0.00 55.95 60.03 1sh2 s SER 23 Cb -0.30 -2.63 0.62 0.00 -1.71 0.00 0.00 66.02 62.00 1sh2 s SER 23 CO 0.38 -0.67 1.60 0.35 1.20 0.00 0.00 173.24 176.10 1sh2 n THR 24 N 1.92 2.63 -4.28 6.45 -2.24 -1.26 -4.81 114.28 112.68 1sh2 n THR 24 Ca 0.05 -1.97 -0.17 0.00 -2.27 0.00 0.00 64.05 59.68 1sh2 n THR 24 Cb 0.41 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 1sh2 n THR 24 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sh2 s LYS 25 N -3.00 1.15 0.06 -0.78 1.02 -1.26 -4.57 119.74 112.37 1sh2 s LYS 25 Ca 0.48 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 55.10 1sh2 s LYS 25 Cb 0.40 -0.94 -0.03 0.00 -0.52 0.00 0.00 37.83 36.75 1sh2 s LYS 25 CO 0.09 0.16 -0.13 -0.08 -0.92 0.00 0.00 175.35 174.47 1sh2 s THR 26 N -2.71 0.98 -2.37 2.17 -1.32 -0.83 -4.90 115.64 106.66 1sh2 s THR 26 Ca 0.16 -1.21 0.28 0.00 -1.21 0.00 0.00 61.69 59.71 1sh2 s THR 26 Cb -0.02 -0.95 0.62 0.00 -1.51 0.00 0.00 72.50 70.64 1sh2 s THR 26 CO 0.04 -0.23 1.84 2.29 -2.21 0.00 0.00 174.62 176.35 1sh2 n LYS 27 N 1.41 1.51 -3.39 7.08 2.85 -1.26 -1.54 118.16 124.83 1sh2 n LYS 27 Ca -0.21 -0.75 -0.38 0.00 -1.05 0.00 0.00 58.31 55.92 1sh2 n LYS 27 Cb 0.54 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.37 1sh2 n LYS 27 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1sh2 s PHE 28 N -1.99 3.37 0.03 5.58 0.08 -1.26 0.41 117.98 124.21 1sh2 s PHE 28 Ca 0.40 0.62 0.08 0.00 0.12 0.00 0.00 56.93 58.15 1sh2 s PHE 28 Cb 0.21 -2.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1sh2 s PHE 28 CO 0.34 -0.01 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.64 1sh2 s TRP 29 N 1.31 2.42 0.18 0.36 0.52 0.61 -4.67 118.94 119.67 1sh2 s TRP 29 Ca 0.19 -0.35 -0.32 0.00 0.02 0.00 0.00 56.10 55.64 1sh2 s TRP 29 Cb -0.15 -1.43 -0.11 0.00 -1.15 0.00 0.00 33.47 30.63 1sh2 s TRP 29 CO 0.08 0.16 1.68 1.03 0.02 0.00 0.00 176.95 179.92 1sh2 s ARG 30 N -1.24 4.16 0.48 4.98 1.81 -0.97 0.04 118.95 128.20 1sh2 s ARG 30 Ca 0.13 2.52 0.27 0.00 -1.72 0.00 0.00 55.73 56.93 1sh2 s ARG 30 Cb -0.10 -3.17 0.84 0.00 -0.45 0.00 0.00 34.95 32.07 1sh2 s ARG 30 CO 0.03 -0.72 1.79 0.66 -0.68 0.00 0.00 175.30 176.38 1sh2 h SER 31 N 7.04 0.00 -5.03 0.23 4.64 -1.49 -2.51 113.55 116.42 1sh2 h SER 31 Ca -0.43 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1sh2 h SER 31 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1sh2 h SER 31 CO 0.94 0.06 0.25 -0.94 -0.87 0.00 0.00 176.83 176.27 1sh2 s SER 32 N -6.00 0.08 0.00 4.97 1.04 -1.26 -4.64 113.70 107.89 1sh2 s SER 32 Ca 0.03 -1.21 0.16 0.00 0.48 0.00 0.00 55.95 55.42 1sh2 s SER 32 Cb 0.08 0.85 0.54 0.00 0.10 0.00 0.00 66.02 67.59 1sh2 s SER 32 CO 0.62 -1.70 1.41 0.35 0.98 0.00 0.00 173.24 174.90 1sh2 n THR 33 N -0.54 0.34 -1.99 2.02 -2.24 -1.26 -4.91 114.28 105.71 1sh2 n THR 33 Ca -0.08 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 1sh2 n THR 33 Cb 0.60 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1sh2 n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sh2 s ALA 34 N -1.66 3.59 -0.02 6.98 0.00 -1.26 -4.90 121.76 124.50 1sh2 s ALA 34 Ca 0.29 1.36 -0.36 0.00 0.00 0.00 0.00 51.96 53.25 1sh2 s ALA 34 Cb 0.15 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1sh2 s ALA 34 CO 0.22 -0.78 1.64 -2.30 0.00 0.00 0.00 175.76 174.53 1sh2 n PRO 35 N 1.62 1.70 -2.45 0.00 -0.02 -1.26 -4.91 135.00 129.68 1sh2 n PRO 35 Ca 0.04 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 1sh2 n PRO 35 Cb 0.40 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1sh2 n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sh2 s LEU 36 N 2.21 3.75 0.26 2.45 2.96 -1.26 -4.98 118.68 124.07 1sh2 s LEU 36 Ca 0.88 0.95 -0.31 0.00 -0.22 0.00 0.00 54.13 55.43 1sh2 s LEU 36 Cb -0.83 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.19 1sh2 s LEU 36 CO 0.50 -1.20 1.58 -2.65 -1.32 0.00 0.00 176.35 173.26 1sh2 n PRO 37 N 7.59 2.56 -1.67 0.98 -0.02 -1.26 -4.86 135.00 138.32 1sh2 n PRO 37 Ca 0.15 0.92 -0.52 0.00 -2.02 0.00 0.00 63.50 62.02 1sh2 n PRO 37 Cb 0.47 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 1sh2 n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1sh2 n PRO 38 N 2.49 1.63 0.00 0.52 -0.02 -1.26 -1.54 135.00 136.83 1sh2 n PRO 38 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1sh2 n PRO 38 Cb 0.35 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1sh2 n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sh2 n GLY 39 N 4.56 1.84 3.69 -1.23 0.00 -1.26 -5.08 105.19 107.71 1sh2 n GLY 39 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1sh2 n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sh2 n THR 40 N -0.28 1.90 -1.31 2.61 -1.04 -0.59 -4.59 114.28 110.98 1sh2 n THR 40 Ca 0.00 -0.47 -0.34 0.00 -2.04 0.00 0.00 64.05 61.20 1sh2 n THR 40 Cb 0.00 -1.52 0.11 0.00 -1.82 0.00 0.00 70.33 67.09 1sh2 n THR 40 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1sh2 s TYR 41 N -0.99 1.98 0.08 -1.42 1.51 -1.26 -4.54 117.35 112.71 1sh2 s TYR 41 Ca 0.57 1.63 0.03 0.00 -1.01 0.00 0.00 57.07 58.28 1sh2 s TYR 41 Cb -0.59 -3.46 -0.03 0.00 -0.11 0.00 0.00 41.96 37.77 1sh2 s TYR 41 CO 0.61 -2.66 -0.08 -1.21 -1.11 0.00 0.00 175.55 171.10 1sh2 s GLU 42 N -4.04 0.76 0.51 -0.62 2.02 -0.40 -4.83 118.70 112.11 1sh2 s GLU 42 Ca 0.73 -1.11 -0.22 0.00 0.02 0.00 0.00 54.97 54.38 1sh2 s GLU 42 Cb -0.28 -0.36 -0.06 0.00 0.10 0.00 0.00 34.13 33.53 1sh2 s GLU 42 CO 0.48 0.04 1.31 -2.14 0.02 0.00 0.00 175.26 174.97 1sh2 s PRO 43 N -2.83 3.36 0.84 0.39 0.02 -1.26 -0.04 135.00 135.48 1sh2 s PRO 43 Ca 0.04 2.12 -0.13 0.00 0.02 0.00 0.00 61.00 63.05 1sh2 s PRO 43 Cb -0.02 -2.34 0.06 0.00 0.02 0.00 0.00 34.50 32.23 1sh2 s PRO 43 CO -0.02 -0.98 0.92 0.00 -0.33 0.00 0.00 177.00 176.60 1sh2 n ALA 44 N -0.80 -0.93 -1.67 -1.55 0.00 0.10 -4.78 120.51 110.88 1sh2 n ALA 44 Ca 0.09 -0.41 -0.44 0.00 0.00 0.00 0.00 53.44 52.68 1sh2 n ALA 44 Cb 0.46 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 1sh2 n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1sh2 n TYR 45 N -3.37 2.17 -0.07 0.00 9.36 -1.26 -4.93 117.16 119.07 1sh2 n TYR 45 Ca 0.11 0.45 0.06 0.00 3.32 0.00 0.00 57.90 61.85 1sh2 n TYR 45 Cb 0.51 -2.45 0.15 0.00 -0.63 0.00 0.00 39.34 36.92 1sh2 n TYR 45 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1sh2 n LEU 46 N 1.91 2.84 0.00 2.98 4.77 -1.26 -5.02 117.00 123.21 1sh2 n LEU 46 Ca 0.10 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 1sh2 n LEU 46 Cb 0.32 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1sh2 n LEU 46 CO 0.63 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 1sh2 n GLY 47 N 0.63 -0.41 0.11 -0.72 0.00 -1.26 -4.31 105.19 99.23 1sh2 n GLY 47 Ca 0.12 -2.25 0.09 0.00 0.00 0.00 0.00 46.02 43.98 1sh2 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh2 n GLY 48 N -0.24 -0.94 0.22 -0.02 0.00 -1.26 -1.58 105.19 101.38 1sh2 n GLY 48 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1sh2 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sh2 n LYS 49 N -2.06 2.50 -1.66 1.61 5.02 -1.26 -4.03 118.16 118.28 1sh2 n LYS 49 Ca 0.00 -2.03 -0.51 0.00 -2.02 0.00 0.00 58.31 53.75 1sh2 n LYS 49 Cb 0.10 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1sh2 n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1sh2 n ASP 50 N -0.59 2.99 0.33 4.39 -0.08 -0.61 -4.86 116.55 118.12 1sh2 n ASP 50 Ca 0.09 0.92 0.22 0.00 -1.51 0.00 0.00 54.79 54.50 1sh2 n ASP 50 Cb 0.45 -1.29 1.18 0.00 2.34 0.00 0.00 41.12 43.79 1sh2 n ASP 50 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sh2 h PRO 51 N 9.17 0.00 0.04 -0.67 0.13 -1.91 -1.53 132.00 137.23 1sh2 h PRO 51 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 1sh2 h PRO 51 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1sh2 h PRO 51 CO 0.96 0.00 -1.54 0.00 -0.23 0.00 0.00 178.00 177.19 1sh2 h ARG 52 N 0.00 0.08 -4.87 0.86 3.08 -1.96 -3.44 114.38 108.14 1sh2 h ARG 52 Ca 0.00 -0.13 -0.67 0.00 0.07 0.00 0.00 59.98 59.25 1sh2 h ARG 52 Cb 0.01 0.05 -0.37 0.00 0.08 0.00 0.00 29.97 29.74 1sh2 h ARG 52 CO 0.00 0.80 -0.80 0.08 -1.07 0.00 0.00 179.97 178.98 1sh2 s VAL 53 N -2.62 2.19 -0.26 2.04 1.01 -0.57 -5.09 120.40 117.09 1sh2 s VAL 53 Ca -0.06 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.10 1sh2 s VAL 53 Cb 0.08 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1sh2 s VAL 53 CO 0.83 -0.04 0.51 -0.54 0.00 0.00 0.00 175.10 175.86 1sh2 s LYS 54 N 1.10 4.06 -0.34 2.72 1.02 -1.26 -4.12 119.74 122.92 1sh2 s LYS 54 Ca -0.09 0.30 -0.00 0.00 0.02 0.00 0.00 55.97 56.21 1sh2 s LYS 54 Cb -0.20 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 1sh2 s LYS 54 CO -0.05 -0.36 0.28 0.41 -0.92 0.00 0.00 175.35 174.72 1sh2 n GLY 55 N 4.41 0.24 4.01 -3.33 0.00 -1.26 -5.07 105.19 104.19 1sh2 n GLY 55 Ca -0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 1sh2 n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sh2 s GLY 56 N -3.36 1.92 0.51 -0.02 0.00 -1.26 -5.07 107.32 100.03 1sh2 s GLY 56 Ca 0.01 -1.63 -0.21 0.00 0.00 0.00 0.00 44.72 42.89 1sh2 s GLY 56 CO 0.20 -1.44 1.18 2.56 0.00 0.00 0.00 173.10 175.61 1sh2 s PRO 57 N -4.38 3.50 0.47 2.90 0.04 -1.26 -4.36 135.00 131.90 1sh2 s PRO 57 Ca 0.55 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 63.14 1sh2 s PRO 57 Cb -0.10 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 1sh2 s PRO 57 CO 0.33 -0.77 1.14 -1.13 0.04 0.00 0.00 177.00 176.61 1sh2 n SER 58 N -0.88 1.81 0.28 6.66 3.41 -1.26 -4.24 113.62 119.40 1sh2 n SER 58 Ca 0.09 1.01 0.15 0.00 -0.26 0.00 0.00 58.87 59.86 1sh2 n SER 58 Cb 0.49 -1.44 0.88 0.00 -0.26 0.00 0.00 64.21 63.88 1sh2 n SER 58 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sh2 h LEU 59 N 1.53 0.00 -0.16 1.04 3.38 -1.94 -1.77 115.31 117.39 1sh2 h LEU 59 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1sh2 h LEU 59 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1sh2 h LEU 59 CO 0.57 0.00 0.10 1.56 0.09 0.00 0.00 178.44 180.76 1sh2 h GLN 60 N 0.00 0.22 -0.63 1.13 1.08 -1.96 -2.29 115.11 112.66 1sh2 h GLN 60 Ca 0.01 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1sh2 h GLN 60 Cb 0.06 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1sh2 h GLN 60 CO -0.00 0.19 0.06 1.96 -0.95 0.00 0.00 178.83 180.09 1sh2 h GLN 61 N 0.19 1.07 -0.89 1.46 1.08 -1.69 -1.63 115.11 114.70 1sh2 h GLN 61 Ca 0.06 -0.31 0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1sh2 h GLN 61 Cb 0.02 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.28 1sh2 h GLN 61 CO -0.01 1.01 0.58 0.28 -0.95 0.00 0.00 178.83 179.74 1sh2 h VAL 62 N 0.98 1.08 -0.01 -0.54 2.07 -1.36 -0.65 116.25 117.83 1sh2 h VAL 62 Ca 0.19 -0.35 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1sh2 h VAL 62 Cb 0.49 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1sh2 h VAL 62 CO 0.02 0.19 -0.72 -0.03 0.02 0.00 0.00 177.57 177.05 1sh2 h MET 63 N 1.03 0.04 0.22 1.57 1.85 -1.11 -3.20 114.93 115.33 1sh2 h MET 63 Ca 0.38 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1sh2 h MET 63 Cb 0.17 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.20 1sh2 h MET 63 CO -0.14 0.74 -0.15 0.00 -0.40 0.00 0.00 176.91 176.96 1sh2 h ARG 64 N 0.02 -0.35 -0.14 0.39 3.08 -0.20 -2.18 114.38 115.00 1sh2 h ARG 64 Ca -0.01 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1sh2 h ARG 64 Cb 1.27 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1sh2 h ARG 64 CO 0.10 -0.24 0.27 -0.44 -1.07 0.00 0.00 179.97 178.59 1sh2 h ASP 65 N -0.37 0.00 1.69 7.04 3.32 -1.20 0.25 116.42 127.16 1sh2 h ASP 65 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1sh2 h ASP 65 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1sh2 h ASP 65 CO 0.01 0.00 -0.19 1.56 -1.72 0.00 0.00 179.24 178.90 1sh2 h GLN 66 N 0.00 0.00 0.00 3.56 1.08 -1.40 -3.33 115.11 115.02 1sh2 h GLN 66 Ca 0.07 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.06 1sh2 h GLN 66 Cb 0.61 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1sh2 h GLN 66 CO -0.00 0.00 -1.19 -0.07 -0.95 0.00 0.00 178.83 176.62 1sh2 h LEU 67 N 0.00 0.00 -0.24 1.46 3.38 -0.19 -3.38 115.31 116.33 1sh2 h LEU 67 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1sh2 h LEU 67 Cb 0.94 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1sh2 h LEU 67 CO 0.00 0.86 -0.27 0.50 0.09 0.00 0.00 178.44 179.63 1sh2 h LYS 68 N 0.00 -0.27 0.00 1.13 3.64 -1.65 -2.64 116.57 116.78 1sh2 h LYS 68 Ca -0.11 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1sh2 h LYS 68 Cb 1.76 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1sh2 h LYS 68 CO 0.09 -0.18 -0.06 -1.35 -2.27 0.00 0.00 179.45 175.68 1sh2 h PRO 69 N -0.28 0.00 0.00 1.90 0.11 -1.80 -0.72 132.00 131.21 1sh2 h PRO 69 Ca 0.13 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 1sh2 h PRO 69 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1sh2 h PRO 69 CO -0.40 0.06 -0.50 0.74 -0.21 0.00 0.00 178.00 177.69 1sh2 h PHE 70 N 0.00 0.00 0.00 0.65 0.04 -1.67 -3.23 116.94 112.74 1sh2 h PHE 70 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sh2 h PHE 70 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1sh2 h PHE 70 CO 0.00 0.50 -1.09 -2.37 -0.60 0.00 0.00 178.31 174.75 1sh2 n THR 71 N -3.77 0.00 -1.55 -1.55 5.66 -0.85 -4.49 114.28 107.72 1sh2 n THR 71 Ca -0.01 -0.11 -0.38 0.00 -3.05 0.00 0.00 64.05 60.50 1sh2 n THR 71 Cb 0.54 0.84 0.04 0.00 -1.55 0.00 0.00 70.33 70.20 1sh2 n THR 71 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1sh2 n GLU 72 N -1.58 0.78 -1.61 1.09 4.07 -0.34 -4.93 120.64 118.12 1sh2 n GLU 72 Ca 0.02 0.30 -0.43 0.00 -0.06 0.00 0.00 57.16 56.99 1sh2 n GLU 72 Cb 0.34 -1.94 -0.01 0.00 -0.06 0.00 0.00 31.44 29.78 1sh2 n GLU 72 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1sh2 n PRO 73 N -0.43 1.46 -1.71 5.31 -0.02 -1.26 -4.98 135.00 133.37 1sh2 n PRO 73 Ca 0.12 0.52 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 1sh2 n PRO 73 Cb 0.46 -1.96 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1sh2 n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sh2 s ARG 74 N -1.72 3.13 0.08 -0.52 3.00 -1.26 -5.08 118.95 116.58 1sh2 s ARG 74 Ca 0.59 0.81 -0.01 0.00 0.00 0.00 0.00 55.73 57.12 1sh2 s ARG 74 Cb -0.64 -2.02 0.02 0.00 0.00 0.00 0.00 34.95 32.31 1sh2 s ARG 74 CO 0.60 -0.92 0.07 0.41 0.00 0.00 0.00 175.30 175.45 1sh2 n GLY 75 N -2.39 -2.74 3.73 -3.53 0.00 -1.26 -4.97 105.19 94.03 1sh2 n GLY 75 Ca 0.07 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1sh2 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh2 s LYS 76 N -3.15 4.57 0.45 1.61 1.02 0.13 -4.85 119.74 119.51 1sh2 s LYS 76 Ca 0.04 1.67 -0.24 0.00 0.02 0.00 0.00 55.97 57.46 1sh2 s LYS 76 Cb -0.01 -3.32 -0.08 0.00 -0.52 0.00 0.00 37.83 33.91 1sh2 s LYS 76 CO 0.03 0.01 1.20 -1.25 -0.92 0.00 0.00 175.35 174.42 1sh2 s PRO 77 N 0.12 3.80 0.53 -1.68 0.04 -1.26 -3.85 135.00 132.71 1sh2 s PRO 77 Ca 0.51 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 63.22 1sh2 s PRO 77 Cb -0.28 -2.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 1sh2 s PRO 77 CO 0.32 -0.54 1.09 -2.30 0.04 0.00 0.00 177.00 175.61 1sh2 n PRO 78 N -0.32 1.27 -1.66 0.56 -0.02 -1.26 -4.84 135.00 128.73 1sh2 n PRO 78 Ca 0.06 0.47 -0.55 0.00 -2.02 0.00 0.00 63.50 61.47 1sh2 n PRO 78 Cb 0.47 -2.25 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 1sh2 n PRO 78 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sh2 n LYS 79 N -0.64 1.20 -0.29 -0.52 4.81 -1.26 -4.77 118.16 116.69 1sh2 n LYS 79 Ca 0.11 0.44 0.17 0.00 -0.87 0.00 0.00 58.31 58.16 1sh2 n LYS 79 Cb 0.44 -2.11 0.45 0.00 0.02 0.00 0.00 35.03 33.83 1sh2 n LYS 79 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1sh2 h PRO 80 N 6.12 0.51 -0.18 1.64 0.11 -2.00 -0.98 132.00 137.22 1sh2 h PRO 80 Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1sh2 h PRO 80 Cb 1.32 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1sh2 h PRO 80 CO 0.88 0.34 -0.49 0.66 -0.21 0.00 0.00 178.00 179.18 1sh2 h SER 81 N 0.53 0.54 0.30 -2.05 4.64 -1.99 -1.27 113.55 114.24 1sh2 h SER 81 Ca 0.51 -0.27 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 1sh2 h SER 81 Cb 1.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1sh2 h SER 81 CO -0.24 0.94 -0.71 -0.37 -0.87 0.00 0.00 176.83 175.58 1sh2 h VAL 82 N 0.39 1.39 -0.41 0.95 -1.51 -1.57 -2.21 116.25 113.28 1sh2 h VAL 82 Ca 0.02 -2.14 -0.05 0.00 -1.23 0.00 0.00 66.70 63.30 1sh2 h VAL 82 Cb 1.00 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 32.25 1sh2 h VAL 82 CO 0.09 0.64 0.08 0.25 -1.23 0.00 0.00 177.57 177.39 1sh2 h LEU 83 N 0.25 0.65 -0.76 4.19 5.85 -1.16 -0.16 115.31 124.16 1sh2 h LEU 83 Ca -0.03 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1sh2 h LEU 83 Cb 1.27 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1sh2 h LEU 83 CO 0.12 0.73 0.45 -0.08 -0.34 0.00 0.00 178.44 179.32 1sh2 h GLU 84 N 0.53 1.04 -0.47 1.25 4.57 -1.22 0.18 114.58 120.46 1sh2 h GLU 84 Ca 0.13 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 1sh2 h GLU 84 Cb 0.36 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1sh2 h GLU 84 CO 0.01 0.74 -0.19 0.00 -1.18 0.00 0.00 179.01 178.39 1sh2 h ALA 85 N 1.24 0.77 -0.27 2.92 0.00 -1.31 -0.67 119.26 121.94 1sh2 h ALA 85 Ca 0.27 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sh2 h ALA 85 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sh2 h ALA 85 CO -0.05 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.04 1sh2 h ALA 86 N 0.95 0.35 -0.30 0.00 0.00 -0.62 0.12 119.26 119.76 1sh2 h ALA 86 Ca 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1sh2 h ALA 86 Cb 0.75 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1sh2 h ALA 86 CO 0.06 -0.17 -0.12 -0.22 0.00 0.00 0.00 179.25 178.80 1sh2 h LYS 87 N 0.36 -0.06 -0.35 0.00 3.64 -0.50 -1.33 116.57 118.33 1sh2 h LYS 87 Ca 0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1sh2 h LYS 87 Cb -0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1sh2 h LYS 87 CO -0.02 -0.04 0.10 0.87 -2.27 0.00 0.00 179.45 178.09 1sh2 h LYS 88 N -0.07 0.50 -0.10 1.90 6.56 -0.77 -0.54 116.57 124.05 1sh2 h LYS 88 Ca 0.15 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 1sh2 h LYS 88 Cb 0.30 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1sh2 h LYS 88 CO -0.35 0.45 0.00 1.15 -2.06 0.00 0.00 179.45 178.64 1sh2 h THR 89 N 0.49 1.25 0.24 -0.16 2.02 -0.15 -1.83 112.91 114.76 1sh2 h THR 89 Ca 0.12 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1sh2 h THR 89 Cb 0.16 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1sh2 h THR 89 CO -0.01 0.22 -0.25 0.40 0.37 0.00 0.00 175.52 176.25 1sh2 h ILE 90 N -0.10 0.46 -0.78 3.11 2.04 -0.84 -0.70 117.51 120.71 1sh2 h ILE 90 Ca 0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.07 1sh2 h ILE 90 Cb 0.34 0.46 -0.13 0.00 -0.74 0.00 0.00 36.82 36.75 1sh2 h ILE 90 CO 0.00 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.62 1sh2 h ILE 91 N -0.53 0.35 -0.21 -0.67 2.04 -1.11 0.91 117.51 118.29 1sh2 h ILE 91 Ca -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1sh2 h ILE 91 Cb 0.49 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1sh2 h ILE 91 CO -0.06 0.03 0.14 -1.13 0.00 0.00 0.00 178.15 177.12 1sh2 h ASN 92 N 0.14 0.25 -0.40 1.72 -1.24 -0.88 0.39 115.58 115.56 1sh2 h ASN 92 Ca 0.44 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.44 1sh2 h ASN 92 Cb 0.80 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.77 1sh2 h ASN 92 CO -0.65 0.19 0.26 0.58 -1.29 0.00 0.00 177.43 176.52 1sh2 h VAL 93 N 0.28 1.10 -0.59 2.57 2.07 0.50 -1.75 116.25 120.43 1sh2 h VAL 93 Ca 0.08 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1sh2 h VAL 93 Cb -0.02 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1sh2 h VAL 93 CO -0.02 0.10 -0.03 -0.07 0.02 0.00 0.00 177.57 177.57 1sh2 h LEU 94 N 0.53 1.04 -1.36 2.57 4.07 -0.70 -2.24 115.31 119.22 1sh2 h LEU 94 Ca 0.15 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.78 1sh2 h LEU 94 Cb -0.06 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.38 1sh2 h LEU 94 CO -0.03 1.11 0.27 -0.33 -1.08 0.00 0.00 178.44 178.37 1sh2 h GLU 95 N 0.96 0.70 -0.00 1.13 5.08 0.01 0.21 114.58 122.67 1sh2 h GLU 95 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sh2 h GLU 95 Cb 0.59 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sh2 h GLU 95 CO 0.04 0.53 -0.17 1.04 -1.00 0.00 0.00 179.01 179.44 1sh2 n GLN 96 N -4.40 0.42 -0.05 2.33 6.02 -0.68 -4.46 117.38 116.57 1sh2 n GLN 96 Ca 0.04 -0.16 -0.09 0.00 -0.01 0.00 0.00 57.00 56.78 1sh2 n GLN 96 Cb 0.11 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 1sh2 n GLN 96 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1sh2 n THR 97 N -1.15 0.57 -3.20 5.09 -1.04 -0.75 -5.09 114.28 108.70 1sh2 n THR 97 Ca 0.11 -0.17 -0.21 0.00 -2.04 0.00 0.00 64.05 61.74 1sh2 n THR 97 Cb 0.30 -1.31 0.05 0.00 -1.82 0.00 0.00 70.33 67.56 1sh2 n THR 97 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sh2 s ILE 98 N -2.19 1.97 0.33 12.58 -4.36 -0.01 -5.07 121.20 124.45 1sh2 s ILE 98 Ca -0.14 -1.09 0.10 0.00 -0.26 0.00 0.00 60.65 59.25 1sh2 s ILE 98 Cb 0.05 -2.07 -0.06 0.00 1.25 0.00 0.00 42.46 41.64 1sh2 s ILE 98 CO 0.20 0.00 -0.05 -1.81 0.24 0.00 0.00 174.94 173.52 1sh2 s ASP 99 N -4.62 4.00 0.09 4.36 1.01 -1.26 -4.91 116.67 115.33 1sh2 s ASP 99 Ca 0.57 -1.03 -0.32 0.00 0.71 0.00 0.00 52.55 52.48 1sh2 s ASP 99 Cb -0.05 -0.47 -0.11 0.00 1.01 0.00 0.00 42.92 43.30 1sh2 s ASP 99 CO 0.36 -0.17 1.84 -2.65 0.21 0.00 0.00 175.17 174.76 1sh2 n PRO 100 N -0.86 2.68 -1.66 8.23 -0.02 -1.26 -4.98 135.00 137.12 1sh2 n PRO 100 Ca -0.05 0.97 -0.30 0.00 -2.02 0.00 0.00 63.50 62.10 1sh2 n PRO 100 Cb 0.62 -2.86 0.06 0.00 -0.02 0.00 0.00 33.50 31.30 1sh2 n PRO 100 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1sh2 s PRO 101 N 2.98 2.67 0.37 0.52 0.04 -1.26 -5.04 135.00 135.27 1sh2 s PRO 101 Ca 0.84 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 1sh2 s PRO 101 Cb -0.52 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1sh2 s PRO 101 CO 0.40 -1.23 1.08 -0.51 0.04 0.00 0.00 177.00 176.78 1sh2 s ASP 102 N -3.99 6.85 0.41 6.66 1.01 -1.26 -4.69 116.67 121.65 1sh2 s ASP 102 Ca 0.59 2.15 -0.26 0.00 0.71 0.00 0.00 52.55 55.74 1sh2 s ASP 102 Cb -0.13 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 1sh2 s ASP 102 CO 0.54 -0.43 1.28 -0.54 0.21 0.00 0.00 175.17 176.23 1sh2 s LYS 103 N -2.19 3.95 -0.34 8.23 1.02 -1.26 -3.97 119.74 125.18 1sh2 s LYS 103 Ca 0.54 2.10 -0.09 0.00 0.02 0.00 0.00 55.97 58.55 1sh2 s LYS 103 Cb -0.26 -2.73 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1sh2 s LYS 103 CO 0.33 -0.49 0.15 -1.58 -0.92 0.00 0.00 175.35 172.84 1sh2 s TRP 104 N -1.29 3.22 1.22 3.18 0.52 -1.26 -4.92 118.94 119.61 1sh2 s TRP 104 Ca 0.57 -1.06 -0.17 0.00 0.02 0.00 0.00 56.10 55.47 1sh2 s TRP 104 Cb -0.37 -2.35 0.26 0.00 -1.15 0.00 0.00 33.47 29.86 1sh2 s TRP 104 CO 0.47 -0.64 0.67 -1.13 0.02 0.00 0.00 176.95 176.34 1sh2 n SER 105 N 4.92 -2.52 -0.02 2.95 3.41 -1.26 -4.62 113.62 116.47 1sh2 n SER 105 Ca -0.13 -0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.06 1sh2 n SER 105 Cb 0.46 -1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 63.28 1sh2 n SER 105 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1sh2 h PHE 106 N -2.75 0.04 -0.29 7.33 3.57 -1.98 -2.03 116.94 120.82 1sh2 h PHE 106 Ca -0.54 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.03 1sh2 h PHE 106 Cb 1.31 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.98 1sh2 h PHE 106 CO -0.73 0.01 -0.17 0.00 -2.23 0.00 0.00 178.31 175.20 1sh2 h ALA 107 N 1.10 0.05 -0.65 2.41 0.00 -1.94 -0.69 119.26 119.54 1sh2 h ALA 107 Ca 0.06 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1sh2 h ALA 107 Cb 0.06 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1sh2 h ALA 107 CO -0.09 -0.56 0.13 1.96 0.00 0.00 0.00 179.25 180.69 1sh2 h GLN 108 N -0.13 1.05 -0.33 0.00 4.20 -1.91 -1.49 115.11 116.50 1sh2 h GLN 108 Ca 0.15 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1sh2 h GLN 108 Cb 0.37 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1sh2 h GLN 108 CO -0.38 0.95 0.21 0.00 -0.67 0.00 0.00 178.83 178.94 1sh2 h ALA 109 N 1.14 0.42 -0.26 3.87 0.00 -0.59 -0.79 119.26 123.06 1sh2 h ALA 109 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sh2 h ALA 109 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sh2 h ALA 109 CO 0.01 -0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.29 1sh2 h ALA 111 N 1.01 1.54 0.00 0.00 0.00 -1.04 -2.96 119.26 117.81 1sh2 h ALA 111 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1sh2 h ALA 111 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sh2 h ALA 111 CO -0.01 0.32 -0.16 0.66 0.00 0.00 0.00 179.25 180.05 1sh2 h SER 112 N 1.00 0.00 -3.77 0.00 4.64 -0.99 -3.45 113.55 110.98 1sh2 h SER 112 Ca 0.39 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.20 1sh2 h SER 112 Cb 0.24 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1sh2 h SER 112 CO -0.15 0.16 0.52 -0.76 -0.87 0.00 0.00 176.83 175.73 1sh2 s LEU 113 N -6.92 4.51 -0.02 5.97 1.43 -1.12 -4.97 118.68 117.57 1sh2 s LEU 113 Ca -0.01 2.34 -0.35 0.00 -1.03 0.00 0.00 54.13 55.08 1sh2 s LEU 113 Cb 0.11 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.57 1sh2 s LEU 113 CO 0.60 -0.25 1.72 -0.67 0.23 0.00 0.00 176.35 177.98 1sh2 n ASP 114 N 1.32 3.03 0.02 2.29 -0.08 -1.26 -4.88 116.55 116.98 1sh2 n ASP 114 Ca -0.00 1.03 0.11 0.00 -1.51 0.00 0.00 54.79 54.43 1sh2 n ASP 114 Cb 0.44 -1.34 0.10 0.00 2.34 0.00 0.00 41.12 42.66 1sh2 n ASP 114 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sh2 n LYS 115 N 5.08 0.14 0.00 -0.67 4.76 -1.26 -4.15 118.16 122.05 1sh2 n LYS 115 Ca 0.21 0.01 0.14 0.00 -2.87 0.00 0.00 58.31 55.79 1sh2 n LYS 115 Cb 0.26 -1.55 0.54 0.00 -1.84 0.00 0.00 35.03 32.44 1sh2 n LYS 115 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sh2 n THR 116 N -1.73 0.00 -3.71 -0.18 -2.24 -1.26 -0.44 114.28 104.71 1sh2 n THR 116 Ca 0.04 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 1sh2 n THR 116 Cb 0.38 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1sh2 n THR 116 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sh2 s THR 117 N -2.89 2.50 0.42 4.28 -4.23 -1.26 -4.82 115.64 109.64 1sh2 s THR 117 Ca 0.17 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.00 1sh2 s THR 117 Cb 0.19 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 71.02 1sh2 s THR 117 CO 0.56 0.00 1.13 -0.55 -0.54 0.00 0.00 174.62 175.21 1sh2 s SER 118 N -4.09 6.50 0.14 3.99 0.15 -1.26 -0.94 113.70 118.19 1sh2 s SER 118 Ca 0.46 2.23 0.19 0.00 0.70 0.00 0.00 55.95 59.53 1sh2 s SER 118 Cb -0.01 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.51 1sh2 s SER 118 CO 0.26 -0.69 1.60 -1.54 1.20 0.00 0.00 173.24 174.08 1sh2 n SER 119 N -0.14 0.37 0.00 5.45 3.41 0.13 -4.79 113.62 118.06 1sh2 n SER 119 Ca 0.05 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1sh2 n SER 119 Cb 0.48 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1sh2 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh2 n GLY 120 N -0.02 0.34 3.76 5.00 0.00 -1.26 -1.04 105.19 111.98 1sh2 n GLY 120 Ca 0.03 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1sh2 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sh2 s HIS 121 N 0.00 2.79 -2.39 1.61 5.65 -1.26 -0.12 115.29 121.57 1sh2 s HIS 121 Ca 0.00 1.10 0.22 0.00 0.25 0.00 0.00 55.06 56.63 1sh2 s HIS 121 Cb 0.00 -3.93 0.09 0.00 -1.18 0.00 0.00 32.58 27.56 1sh2 s HIS 121 CO 0.00 -2.85 1.13 -0.35 -0.65 0.00 0.00 174.74 172.02 1sh2 n PRO 122 N 1.25 1.74 0.08 2.88 -0.04 -1.26 -4.33 135.00 135.32 1sh2 n PRO 122 Ca 0.03 -1.42 0.04 0.00 -0.04 0.00 0.00 63.50 62.11 1sh2 n PRO 122 Cb 0.39 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1sh2 n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sh2 h HIS 123 N 3.41 0.00 -6.16 0.54 3.86 -1.83 -3.49 115.15 111.48 1sh2 h HIS 123 Ca 0.00 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.79 1sh2 h HIS 123 Cb 0.83 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.38 1sh2 h HIS 123 CO 0.00 0.41 -0.90 0.72 0.86 0.00 0.00 177.93 179.01 1sh2 n HIS 124 N -2.91 -1.93 -5.27 2.45 8.25 0.83 -4.98 115.22 111.66 1sh2 n HIS 124 Ca -0.05 0.61 -0.31 0.00 -0.26 0.00 0.00 57.72 57.71 1sh2 n HIS 124 Cb 0.74 -3.73 -0.16 0.00 1.12 0.00 0.00 29.99 27.96 1sh2 n HIS 124 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1sh2 s MET 125 N -5.90 2.48 0.01 -0.41 1.75 -1.26 -4.85 119.30 111.12 1sh2 s MET 125 Ca 0.32 -0.91 -0.34 0.00 -1.25 0.00 0.00 55.69 53.51 1sh2 s MET 125 Cb -0.10 -2.15 -0.12 0.00 2.84 0.00 0.00 34.83 35.30 1sh2 s MET 125 CO 0.84 0.41 1.77 -2.13 -0.65 0.00 0.00 175.02 175.27 1sh2 n ARG 126 N 2.86 2.20 -0.33 4.11 0.63 -1.26 0.21 116.66 125.07 1sh2 n ARG 126 Ca -0.17 0.80 0.09 0.00 -0.92 0.00 0.00 57.85 57.65 1sh2 n ARG 126 Cb 0.52 -2.62 0.26 0.00 0.45 0.00 0.00 32.46 31.07 1sh2 n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1sh2 h LYS 127 N 8.01 0.75 -0.28 -0.14 1.57 -0.99 -1.33 116.57 124.17 1sh2 h LYS 127 Ca -0.47 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.34 1sh2 h LYS 127 Cb 1.26 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1sh2 h LYS 127 CO 0.93 0.50 0.20 -0.97 -0.57 0.00 0.00 179.45 179.54 1sh2 h ASN 128 N 0.78 0.00 0.35 0.86 -1.24 -1.02 -2.60 115.58 112.71 1sh2 h ASN 128 Ca 0.51 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.52 1sh2 h ASN 128 Cb 0.68 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 1sh2 h ASN 128 CO -0.34 0.00 -0.02 0.44 -1.29 0.00 0.00 177.43 176.22 1sh2 h ASP 129 N 0.00 0.00 -0.60 1.15 5.19 -1.52 -2.90 116.42 117.73 1sh2 h ASP 129 Ca 0.13 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.13 1sh2 h ASP 129 Cb 0.53 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.63 1sh2 h ASP 129 CO -0.00 0.02 -0.95 0.00 -3.12 0.00 0.00 179.24 175.19 1sh2 s TRP 131 N -3.66 -0.12 -2.03 0.00 -0.11 -1.10 0.11 118.94 112.02 1sh2 s TRP 131 Ca 0.41 0.50 0.22 0.00 1.22 0.00 0.00 56.10 58.45 1sh2 s TRP 131 Cb 0.37 -0.32 0.62 0.00 -1.50 0.00 0.00 33.47 32.64 1sh2 s TRP 131 CO 0.00 -0.27 1.52 0.27 -4.62 0.00 0.00 176.95 173.86 1sh2 n ASN 132 N 5.32 3.80 0.00 5.86 0.23 -0.76 -4.93 115.26 124.78 1sh2 n ASN 132 Ca -0.04 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 1sh2 n ASN 132 Cb 0.50 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1sh2 n ASN 132 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sh2 n GLY 133 N 1.63 2.00 0.00 4.83 0.00 -1.26 -4.79 105.19 107.60 1sh2 n GLY 133 Ca 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1sh2 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sh2 n GLU 134 N 0.00 2.37 -4.07 1.61 1.02 -1.26 -5.03 120.64 115.28 1sh2 n GLU 134 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1sh2 n GLU 134 Cb 0.00 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 1sh2 n GLU 134 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1sh2 s SER 135 N -3.46 0.61 0.76 1.62 0.01 -1.26 -4.81 113.70 107.17 1sh2 s SER 135 Ca -0.01 -0.79 -0.11 0.00 1.31 0.00 0.00 55.95 56.35 1sh2 s SER 135 Cb 0.00 0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.40 1sh2 s SER 135 CO 0.02 -0.43 1.09 -0.36 0.41 0.00 0.00 173.24 173.97 1sh2 s PHE 136 N -2.78 3.00 0.04 2.43 0.08 -1.26 -1.83 117.98 117.65 1sh2 s PHE 136 Ca -0.01 1.19 0.02 0.00 0.12 0.00 0.00 56.93 58.24 1sh2 s PHE 136 Cb -0.00 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.37 1sh2 s PHE 136 CO -0.05 -1.53 -0.07 -0.08 -0.10 0.00 0.00 175.22 173.39 1sh2 s THR 137 N -3.17 0.44 0.00 0.64 -1.32 0.12 -4.30 115.64 108.04 1sh2 s THR 137 Ca 0.60 -1.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1sh2 s THR 137 Cb -0.14 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1sh2 s THR 137 CO 0.54 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1sh2 n GLY 138 N 1.43 3.83 0.18 6.08 0.00 -1.26 -2.44 105.19 113.01 1sh2 n GLY 138 Ca -0.23 0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1sh2 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sh2 h LYS 139 N 0.00 0.00 0.01 1.61 1.57 -1.97 -2.61 116.57 115.18 1sh2 h LYS 139 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1sh2 h LYS 139 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1sh2 h LYS 139 CO 0.00 0.39 -0.94 -0.07 -0.57 0.00 0.00 179.45 178.26 1sh2 h LEU 140 N 0.00 0.07 -0.63 2.94 3.38 -1.84 -2.03 115.31 117.20 1sh2 h LEU 140 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1sh2 h LEU 140 Cb 0.71 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1sh2 h LEU 140 CO 0.05 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.74 1sh2 h ALA 141 N 1.03 0.82 -0.58 1.53 0.00 -1.44 0.15 119.26 120.78 1sh2 h ALA 141 Ca -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1sh2 h ALA 141 Cb 1.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1sh2 h ALA 141 CO 0.13 0.50 0.15 -0.44 0.00 0.00 0.00 179.25 179.58 1sh2 h ASP 142 N 0.90 0.87 -0.09 0.00 3.32 -1.37 -0.51 116.42 119.54 1sh2 h ASP 142 Ca 0.20 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1sh2 h ASP 142 Cb 0.30 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1sh2 h ASP 142 CO -0.01 0.87 -0.18 -0.61 -1.72 0.00 0.00 179.24 177.59 1sh2 h GLN 143 N 0.83 0.28 -0.96 3.56 4.15 -1.27 -1.62 115.11 120.07 1sh2 h GLN 143 Ca 0.18 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1sh2 h GLN 143 Cb 0.33 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1sh2 h GLN 143 CO 0.00 0.78 0.63 0.00 -1.93 0.00 0.00 178.83 178.31 1sh2 h ALA 144 N 0.49 1.24 -0.42 3.38 0.00 -0.71 0.14 119.26 123.38 1sh2 h ALA 144 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1sh2 h ALA 144 Cb 0.78 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sh2 h ALA 144 CO 0.04 0.56 -0.03 0.77 0.00 0.00 0.00 179.25 180.60 1sh2 h SER 145 N 1.26 0.75 -0.23 0.00 0.02 -1.11 -1.34 113.55 112.90 1sh2 h SER 145 Ca 0.37 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1sh2 h SER 145 Cb -0.08 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1sh2 h SER 145 CO -0.10 0.89 0.05 0.50 -1.14 0.00 0.00 176.83 177.03 1sh2 h LYS 146 N 0.59 0.13 -0.81 3.45 3.11 -0.94 -1.46 116.57 120.63 1sh2 h LYS 146 Ca 0.11 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.97 1sh2 h LYS 146 Cb 0.53 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.69 1sh2 h LYS 146 CO 0.03 0.09 0.53 0.00 -2.81 0.00 0.00 179.45 177.28 1sh2 h ALA 147 N 1.17 1.05 -0.63 5.00 0.00 -0.90 -2.47 119.26 122.47 1sh2 h ALA 147 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1sh2 h ALA 147 Cb 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1sh2 h ALA 147 CO -0.14 0.40 0.20 -0.97 0.00 0.00 0.00 179.25 178.73 1sh2 h ASN 148 N 1.06 0.93 -0.38 0.00 -0.73 -0.87 -2.17 115.58 113.42 1sh2 h ASN 148 Ca 0.31 -0.21 -0.11 0.00 1.87 0.00 0.00 56.30 58.16 1sh2 h ASN 148 Cb -0.07 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.27 1sh2 h ASN 148 CO -0.09 0.89 -0.21 -0.07 -0.37 0.00 0.00 177.43 177.58 1sh2 h LEU 149 N 0.91 0.84 -0.88 0.34 3.38 -1.14 -2.45 115.31 116.30 1sh2 h LEU 149 Ca 0.20 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1sh2 h LEU 149 Cb 0.30 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1sh2 h LEU 149 CO -0.01 1.07 0.52 0.24 0.09 0.00 0.00 178.44 180.35 1sh2 h MET 150 N 0.61 1.21 -0.03 1.13 2.86 -1.39 -0.90 114.93 118.42 1sh2 h MET 150 Ca 0.08 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1sh2 h MET 150 Cb 0.77 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1sh2 h MET 150 CO 0.06 0.86 -0.08 0.35 1.06 0.00 0.00 176.91 179.16 1sh2 h PHE 151 N 1.22 -0.20 -0.22 -0.22 3.57 -1.28 0.20 116.94 120.02 1sh2 h PHE 151 Ca 0.32 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 1sh2 h PHE 151 Cb -0.03 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1sh2 h PHE 151 CO 0.00 -0.13 -0.10 0.93 -2.23 0.00 0.00 178.31 176.79 1sh2 h GLU 152 N -0.13 0.35 -0.40 1.11 5.08 -1.11 -1.98 114.58 117.50 1sh2 h GLU 152 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sh2 h GLU 152 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1sh2 h GLU 152 CO -0.11 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 178.75 1sh2 n GLU 153 N -4.26 2.03 -4.02 2.33 1.02 -0.37 -4.95 120.64 112.41 1sh2 n GLU 153 Ca 0.00 -1.59 -0.30 0.00 -0.02 0.00 0.00 57.16 55.26 1sh2 n GLU 153 Cb 0.27 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1sh2 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sh2 n GLY 154 N 1.23 -0.36 3.42 0.62 0.00 -0.28 -4.96 105.19 104.85 1sh2 n GLY 154 Ca 0.16 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 1sh2 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sh2 s LYS 155 N -6.77 2.50 0.39 1.61 1.02 0.56 -4.98 119.74 114.07 1sh2 s LYS 155 Ca 0.11 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 55.09 1sh2 s LYS 155 Cb -0.05 -2.31 -0.09 0.00 -0.52 0.00 0.00 37.83 34.86 1sh2 s LYS 155 CO 0.92 0.56 1.14 -0.80 -0.92 0.00 0.00 175.35 176.25 1sh2 s ASN 156 N -0.57 6.60 0.02 2.83 0.01 -1.26 -4.55 114.94 118.02 1sh2 s ASN 156 Ca 0.08 2.28 0.02 0.00 -0.71 0.00 0.00 52.86 54.53 1sh2 s ASN 156 Cb -0.11 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.93 1sh2 s ASN 156 CO 0.01 -0.61 -0.07 -0.04 -1.51 0.00 0.00 177.10 174.88 1sh2 s MET 157 N -2.29 0.48 -0.31 -0.60 -1.94 -1.26 -5.11 119.30 108.27 1sh2 s MET 157 Ca 0.57 -0.45 -0.24 0.00 -1.71 0.00 0.00 55.69 53.86 1sh2 s MET 157 Cb -0.29 -0.37 0.00 0.00 2.01 0.00 0.00 34.83 36.18 1sh2 s MET 157 CO 0.36 0.09 0.80 0.99 -0.01 0.00 0.00 175.02 177.25 1sh2 s THR 158 N -0.69 4.78 0.35 2.05 2.01 -1.26 -4.83 115.64 118.04 1sh2 s THR 158 Ca -0.03 1.19 -0.27 0.00 0.31 0.00 0.00 61.69 62.89 1sh2 s THR 158 Cb -0.06 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 1sh2 s THR 158 CO 0.00 -0.27 1.19 -2.84 -0.69 0.00 0.00 174.62 172.01 1sh2 s PRO 159 N 3.00 4.29 -0.05 4.92 0.02 -1.26 -4.98 135.00 140.93 1sh2 s PRO 159 Ca 0.33 1.94 0.03 0.00 0.02 0.00 0.00 61.00 63.32 1sh2 s PRO 159 Cb -0.14 -2.92 0.01 0.00 0.02 0.00 0.00 34.50 31.47 1sh2 s PRO 159 CO 0.13 -0.15 -0.13 0.54 -0.33 0.00 0.00 177.00 177.06 1sh2 s VAL 160 N -1.27 1.15 0.02 3.83 0.11 -1.26 -4.12 120.40 118.85 1sh2 s VAL 160 Ca 0.52 -0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1sh2 s VAL 160 Cb -0.34 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1sh2 s VAL 160 CO 0.43 0.35 0.12 -0.31 -3.33 0.00 0.00 175.10 172.36 1sh2 s TYR 161 N 0.39 3.36 -0.32 1.54 2.02 -0.26 -3.04 117.35 121.04 1sh2 s TYR 161 Ca -0.09 0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.74 1sh2 s TYR 161 Cb -0.13 -1.74 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1sh2 s TYR 161 CO 0.03 0.57 0.13 0.99 -1.57 0.00 0.00 175.55 175.70 1sh2 s THR 162 N -1.30 4.30 0.28 -0.71 2.01 0.88 -0.56 115.64 120.55 1sh2 s THR 162 Ca 0.26 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 1sh2 s THR 162 Cb -0.12 -3.26 -0.12 0.00 0.01 0.00 0.00 72.50 69.00 1sh2 s THR 162 CO 0.18 -0.00 1.51 0.61 -0.69 0.00 0.00 174.62 176.23 1sh2 n GLY 163 N 4.93 1.09 3.17 4.40 0.00 -0.14 -1.82 105.19 116.82 1sh2 n GLY 163 Ca -0.14 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1sh2 n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sh2 s ALA 164 N -0.11 0.46 -0.09 4.61 0.00 -0.49 -4.92 121.76 121.22 1sh2 s ALA 164 Ca 0.65 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1sh2 s ALA 164 Cb -0.55 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1sh2 s ALA 164 CO 0.50 -0.48 -0.13 -0.51 0.00 0.00 0.00 175.76 175.14 1sh2 s LEU 165 N -2.97 2.76 -0.18 0.00 1.43 -1.26 -0.12 118.68 118.34 1sh2 s LEU 165 Ca 0.15 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1sh2 s LEU 165 Cb 0.07 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1sh2 s LEU 165 CO -0.04 0.25 1.65 -0.75 0.23 0.00 0.00 176.35 177.68 1sh2 s LYS 166 N -0.15 3.87 -0.62 1.70 2.20 0.21 -4.92 119.74 122.03 1sh2 s LYS 166 Ca -0.01 1.81 -0.28 0.00 -0.36 0.00 0.00 55.97 57.13 1sh2 s LYS 166 Cb -0.13 -4.03 0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1sh2 s LYS 166 CO 0.03 -1.21 1.24 0.34 -0.36 0.00 0.00 175.35 175.39 1sh2 s ASP 167 N 4.16 6.34 0.27 1.43 2.15 -1.26 -4.47 116.67 125.28 1sh2 s ASP 167 Ca 0.73 -0.02 -0.14 0.00 0.43 0.00 0.00 52.55 53.55 1sh2 s ASP 167 Cb -0.27 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 1sh2 s ASP 167 CO 0.29 -1.60 0.54 -1.83 -0.17 0.00 0.00 175.17 172.41 1sh2 s GLU 168 N 5.21 1.66 0.02 4.34 -1.05 -1.26 -4.97 118.70 122.65 1sh2 s GLU 168 Ca 0.42 -1.25 -0.27 0.00 -0.15 0.00 0.00 54.97 53.72 1sh2 s GLU 168 Cb -0.08 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1sh2 s GLU 168 CO 0.23 -0.71 0.83 -0.51 0.95 0.00 0.00 175.26 176.05 1sh2 s LEU 169 N -3.02 4.41 0.07 1.83 1.43 -1.26 0.01 118.68 122.15 1sh2 s LEU 169 Ca 0.20 1.50 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1sh2 s LEU 169 Cb -0.02 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1sh2 s LEU 169 CO 0.10 -0.09 -0.09 0.68 0.23 0.00 0.00 176.35 177.18 1sh2 s VAL 170 N 0.38 0.74 0.33 -1.59 -7.23 0.94 -4.84 120.40 109.12 1sh2 s VAL 170 Ca 0.43 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 1sh2 s VAL 170 Cb -0.20 -1.07 -0.12 0.00 0.56 0.00 0.00 36.38 35.54 1sh2 s VAL 170 CO 0.24 -0.51 1.36 2.29 -0.31 0.00 0.00 175.10 178.18 1sh2 n LYS 171 N 0.91 2.24 -0.23 4.82 2.85 -1.26 -1.27 118.16 126.22 1sh2 n LYS 171 Ca -0.19 0.79 0.31 0.00 -1.05 0.00 0.00 58.31 58.18 1sh2 n LYS 171 Cb 0.57 -2.42 0.73 0.00 -0.65 0.00 0.00 35.03 33.25 1sh2 n LYS 171 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1sh2 h THR 172 N 2.76 0.41 -0.71 0.58 1.35 -1.81 -0.18 112.91 115.31 1sh2 h THR 172 Ca -0.47 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.53 1sh2 h THR 172 Cb 1.27 0.45 -0.05 0.00 -1.73 0.00 0.00 68.15 68.09 1sh2 h THR 172 CO 0.66 0.00 0.48 -0.78 -0.25 0.00 0.00 175.52 175.63 1sh2 h ASP 173 N 0.00 0.36 0.18 5.36 3.58 -1.95 -0.97 116.42 122.99 1sh2 h ASP 173 Ca 0.48 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.95 1sh2 h ASP 173 Cb 2.03 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 43.02 1sh2 h ASP 173 CO -0.01 0.20 -0.01 0.29 -2.88 0.00 0.00 179.24 176.83 1sh2 n LYS 174 N -4.47 0.85 -0.04 0.28 5.02 -0.08 -1.49 118.16 118.23 1sh2 n LYS 174 Ca 0.13 -0.06 -0.05 0.00 -2.02 0.00 0.00 58.31 56.30 1sh2 n LYS 174 Cb 0.50 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1sh2 n LYS 174 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1sh2 n ILE 175 N -1.02 0.49 0.49 -0.18 5.41 -0.47 -2.63 119.36 121.45 1sh2 n ILE 175 Ca 0.20 -0.22 0.05 0.00 1.00 0.00 0.00 62.75 63.79 1sh2 n ILE 175 Cb 0.17 -0.81 -0.03 0.00 -0.71 0.00 0.00 39.64 38.26 1sh2 n ILE 175 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1sh2 n TYR 176 N -2.63 0.00 0.00 1.39 4.01 -0.62 -4.84 117.16 114.47 1sh2 n TYR 176 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1sh2 n TYR 176 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1sh2 n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh2 n GLY 177 N 1.08 2.40 3.59 2.72 0.00 -0.55 -5.03 105.19 109.39 1sh2 n GLY 177 Ca 0.03 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1sh2 n GLY 177 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sh2 s LYS 178 N 3.78 3.30 0.21 1.61 2.47 -1.19 -4.91 119.74 125.01 1sh2 s LYS 178 Ca 0.00 0.98 -0.30 0.00 -1.56 0.00 0.00 55.97 55.09 1sh2 s LYS 178 Cb 0.00 -4.16 -0.08 0.00 -1.46 0.00 0.00 37.83 32.13 1sh2 s LYS 178 CO 0.00 -1.91 1.14 0.42 0.16 0.00 0.00 175.35 175.16 1sh2 s ILE 179 N 6.62 3.64 -0.10 5.43 1.01 -1.26 -4.27 121.20 132.27 1sh2 s ILE 179 Ca 0.67 1.46 -0.08 0.00 0.00 0.00 0.00 60.65 62.70 1sh2 s ILE 179 Cb -0.16 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1sh2 s ILE 179 CO 0.30 0.27 0.25 -0.54 0.00 0.00 0.00 174.94 175.22 1sh2 s LYS 180 N -0.62 0.28 -0.05 2.79 1.02 -1.08 -5.02 119.74 117.07 1sh2 s LYS 180 Ca 0.49 0.38 -0.02 0.00 0.02 0.00 0.00 55.97 56.84 1sh2 s LYS 180 Cb -0.31 0.11 0.03 0.00 -0.52 0.00 0.00 37.83 37.13 1sh2 s LYS 180 CO 0.37 -0.05 0.11 0.21 -0.92 0.00 0.00 175.35 175.07 1sh2 s LYS 181 N 0.30 0.07 0.31 1.68 2.20 -1.26 -4.74 119.74 118.30 1sh2 s LYS 181 Ca -0.01 0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.58 1sh2 s LYS 181 Cb -0.03 -0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.07 1sh2 s LYS 181 CO -0.01 -0.12 1.05 1.03 -0.36 0.00 0.00 175.35 176.94 1sh2 s ARG 182 N 0.82 4.53 -0.11 4.03 0.52 -1.26 -4.73 118.95 122.74 1sh2 s ARG 182 Ca -0.06 1.65 -0.24 0.00 -0.52 0.00 0.00 55.73 56.55 1sh2 s ARG 182 Cb -0.09 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1sh2 s ARG 182 CO -0.04 0.16 0.76 -1.17 0.02 0.00 0.00 175.30 175.03 1sh2 s LEU 183 N -1.79 4.25 0.09 2.53 2.96 -1.26 0.66 118.68 126.12 1sh2 s LEU 183 Ca 0.48 1.18 0.05 0.00 -0.22 0.00 0.00 54.13 55.62 1sh2 s LEU 183 Cb -0.28 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1sh2 s LEU 183 CO 0.35 -0.25 0.00 -0.76 -1.32 0.00 0.00 176.35 174.37 1sh2 s LEU 184 N 1.44 3.46 -0.58 -0.68 1.43 0.83 -4.78 118.68 119.79 1sh2 s LEU 184 Ca 0.38 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1sh2 s LEU 184 Cb -0.17 -2.19 0.15 0.00 0.03 0.00 0.00 46.19 44.01 1sh2 s LEU 184 CO 0.16 0.17 0.37 0.26 0.23 0.00 0.00 176.35 177.53 1sh2 s TRP 185 N -1.33 3.33 -0.41 0.29 0.52 0.64 -1.39 118.94 120.59 1sh2 s TRP 185 Ca 0.26 -2.89 -0.28 0.00 0.02 0.00 0.00 56.10 53.20 1sh2 s TRP 185 Cb -0.12 -3.05 -0.02 0.00 -1.15 0.00 0.00 33.47 29.13 1sh2 s TRP 185 CO 0.18 -0.81 1.77 0.20 0.02 0.00 0.00 176.95 178.32 1sh2 s GLY 186 N 0.32 0.68 0.97 0.98 0.00 -0.76 -3.76 107.32 105.76 1sh2 s GLY 186 Ca 0.17 -0.00 -0.12 0.00 0.00 0.00 0.00 44.72 44.76 1sh2 s GLY 186 CO -0.02 3.25 1.09 -1.35 0.00 0.00 0.00 173.10 176.07 1sh2 s SER 187 N 6.36 2.79 0.29 1.64 1.04 -1.26 -0.08 113.70 124.47 1sh2 s SER 187 Ca 0.75 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.55 1sh2 s SER 187 Cb -0.19 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1sh2 s SER 187 CO 0.30 -3.05 0.48 1.51 0.98 0.00 0.00 173.24 173.46 1sh2 s ASP 188 N -3.32 6.34 0.47 7.02 -4.77 -1.17 -4.17 116.67 117.06 1sh2 s ASP 188 Ca 0.65 0.41 0.14 0.00 -3.30 0.00 0.00 52.55 50.45 1sh2 s ASP 188 Cb -0.19 -2.01 1.11 0.00 -1.09 0.00 0.00 42.92 40.73 1sh2 s ASP 188 CO 0.58 -0.19 2.05 0.25 0.70 0.00 0.00 175.17 178.56 1sh2 h LEU 189 N 1.24 0.24 -0.15 2.11 5.85 -1.28 -0.62 115.31 122.71 1sh2 h LEU 189 Ca -0.49 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1sh2 h LEU 189 Cb 1.21 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1sh2 h LEU 189 CO 0.64 0.16 -0.09 0.00 -0.34 0.00 0.00 178.44 178.80 1sh2 h ALA 190 N 1.80 0.21 -0.71 1.25 0.00 -1.87 -1.74 119.26 118.20 1sh2 h ALA 190 Ca 0.17 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1sh2 h ALA 190 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1sh2 h ALA 190 CO -0.03 0.04 0.42 1.15 0.00 0.00 0.00 179.25 180.83 1sh2 h THR 191 N -0.02 1.01 0.12 0.00 2.02 -1.75 -2.09 112.91 112.21 1sh2 h THR 191 Ca 0.03 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 66.95 1sh2 h THR 191 Cb 0.58 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1sh2 h THR 191 CO 0.03 0.14 -0.16 0.24 0.37 0.00 0.00 175.52 176.14 1sh2 h MET 192 N 0.79 -0.32 0.00 6.66 2.07 -0.90 0.64 114.93 123.86 1sh2 h MET 192 Ca 0.31 0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.90 1sh2 h MET 192 Cb 0.14 0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 1sh2 h MET 192 CO -0.16 -0.21 -0.30 -0.84 1.07 0.00 0.00 176.91 176.46 1sh2 h ILE 193 N -0.33 0.79 0.00 -1.22 -0.00 -1.27 -1.92 117.51 113.56 1sh2 h ILE 193 Ca 0.01 -1.26 -0.06 0.00 -0.00 0.00 0.00 64.86 63.56 1sh2 h ILE 193 Cb 0.33 1.78 0.00 0.00 -0.00 0.00 0.00 36.82 38.94 1sh2 h ILE 193 CO -0.07 0.30 -0.23 -0.09 -0.00 0.00 0.00 178.15 178.06 1sh2 h ARG 194 N 0.00 0.15 -0.89 0.16 2.43 -0.91 -1.78 114.38 113.54 1sh2 h ARG 194 Ca -0.00 -0.16 0.12 0.00 -0.81 0.00 0.00 59.98 59.12 1sh2 h ARG 194 Cb 0.76 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.27 1sh2 h ARG 194 CO 0.04 0.92 0.52 0.00 -1.51 0.00 0.00 179.97 179.94 1sh2 h ALA 196 N 1.51 0.19 0.00 0.00 0.00 -1.25 0.11 119.26 119.83 1sh2 h ALA 196 Ca 0.45 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1sh2 h ALA 196 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1sh2 h ALA 196 CO -0.28 -0.15 -0.37 0.00 0.00 0.00 0.00 179.25 178.44 1sh2 h ARG 197 N 0.02 0.00 -0.06 0.00 3.08 -1.21 0.13 114.38 116.34 1sh2 h ARG 197 Ca 0.04 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 1sh2 h ARG 197 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.36 1sh2 h ARG 197 CO 0.00 0.37 -0.57 0.00 -1.07 0.00 0.00 179.97 178.71 1sh2 h ALA 198 N 1.63 0.15 0.00 0.04 0.00 -0.66 -3.41 119.26 117.01 1sh2 h ALA 198 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sh2 h ALA 198 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sh2 h ALA 198 CO 0.05 0.39 0.00 1.19 0.00 0.00 0.00 179.25 180.87 1sh2 n PHE 199 N -4.21 0.00 -0.09 0.00 3.72 0.37 -4.53 117.46 112.72 1sh2 n PHE 199 Ca -0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.24 1sh2 n PHE 199 Cb 0.64 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.17 1sh2 n PHE 199 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1sh2 h GLY 200 N 0.00 -0.11 0.92 1.37 0.00 -0.81 -0.71 103.07 103.73 1sh2 h GLY 200 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1sh2 h GLY 200 CO 0.00 -0.20 0.61 -1.33 0.00 0.00 0.00 176.54 175.62 1sh2 h GLY 201 N -0.22 1.36 0.93 4.60 0.00 -1.78 -1.74 103.07 106.22 1sh2 h GLY 201 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1sh2 h GLY 201 CO -0.46 0.37 0.12 -2.00 0.00 0.00 0.00 176.54 174.58 1sh2 h LEU 202 N 1.15 0.50 -0.95 3.11 5.85 -1.64 -1.50 115.31 121.82 1sh2 h LEU 202 Ca 0.38 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1sh2 h LEU 202 Cb 0.06 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1sh2 h LEU 202 CO -0.13 0.55 0.11 0.24 -0.34 0.00 0.00 178.44 178.87 1sh2 h MET 203 N 0.42 0.88 -0.80 1.25 2.86 -0.82 0.56 114.93 119.28 1sh2 h MET 203 Ca 0.12 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1sh2 h MET 203 Cb 0.22 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1sh2 h MET 203 CO -0.01 0.81 0.45 -0.44 1.06 0.00 0.00 176.91 178.78 1sh2 h ASP 204 N 0.84 0.99 -0.14 1.22 5.19 -1.19 -1.20 116.42 122.13 1sh2 h ASP 204 Ca 0.18 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 1sh2 h ASP 204 Cb 0.35 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1sh2 h ASP 204 CO 0.00 0.79 -0.46 -0.08 -3.12 0.00 0.00 179.24 176.37 1sh2 h GLU 205 N 1.11 0.57 -0.97 3.56 4.57 -0.37 -2.53 114.58 120.51 1sh2 h GLU 205 Ca 0.28 -0.42 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1sh2 h GLU 205 Cb 0.01 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 1sh2 h GLU 205 CO -0.05 1.04 0.63 -0.07 -1.18 0.00 0.00 179.01 179.38 1sh2 h LEU 206 N 0.20 1.05 -0.61 1.64 3.38 0.16 -2.65 115.31 118.48 1sh2 h LEU 206 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sh2 h LEU 206 Cb 1.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1sh2 h LEU 206 CO 0.10 0.72 0.33 0.50 0.09 0.00 0.00 178.44 180.18 1sh2 h LYS 207 N 1.22 0.85 -0.38 1.13 3.64 -1.15 -1.85 116.57 120.03 1sh2 h LYS 207 Ca 0.39 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.78 1sh2 h LYS 207 Cb 0.01 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1sh2 h LYS 207 CO -0.13 0.65 0.30 1.15 -2.27 0.00 0.00 179.45 179.16 1sh2 h THR 208 N 0.82 0.66 -0.35 1.00 2.02 -1.08 -2.22 112.91 113.76 1sh2 h THR 208 Ca 0.21 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1sh2 h THR 208 Cb 0.05 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1sh2 h THR 208 CO -0.03 0.00 0.02 1.41 0.37 0.00 0.00 175.52 177.29 1sh2 n HIS 209 N -4.19 1.23 0.31 3.16 8.25 -0.72 -4.66 115.22 118.60 1sh2 n HIS 209 Ca 0.06 -1.02 0.16 0.00 -0.26 0.00 0.00 57.72 56.66 1sh2 n HIS 209 Cb 0.49 -0.40 0.73 0.00 1.12 0.00 0.00 29.99 31.92 1sh2 n HIS 209 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sh2 h VAL 211 N 0.00 1.15 0.00 0.00 2.07 -1.84 -3.37 116.25 114.27 1sh2 h VAL 211 Ca 0.00 -2.45 -0.13 0.00 0.82 0.00 0.00 66.70 64.94 1sh2 h VAL 211 Cb 0.28 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1sh2 h VAL 211 CO 0.00 0.62 -1.58 0.35 0.02 0.00 0.00 177.57 176.98 1sh2 n THR 212 N -3.34 0.48 -2.75 2.57 -2.24 -0.98 -4.78 114.28 103.23 1sh2 n THR 212 Ca 0.01 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 1sh2 n THR 212 Cb 0.75 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 1sh2 n THR 212 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sh2 s LEU 213 N -4.45 4.09 0.53 3.22 1.02 -0.02 -4.96 118.68 118.10 1sh2 s LEU 213 Ca -0.04 1.80 0.22 0.00 0.02 0.00 0.00 54.13 56.13 1sh2 s LEU 213 Cb 0.03 -4.33 1.42 0.00 0.02 0.00 0.00 46.19 43.34 1sh2 s LEU 213 CO 0.38 -0.31 2.13 -0.65 0.02 0.00 0.00 176.35 177.92 1sh2 h PRO 214 N 2.37 0.00 -6.34 1.29 0.11 -1.88 -3.40 132.00 124.15 1sh2 h PRO 214 Ca -0.48 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.07 1sh2 h PRO 214 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1sh2 h PRO 214 CO 0.62 0.07 1.18 0.42 -0.21 0.00 0.00 178.00 180.08 1sh2 s ILE 215 N -4.65 3.66 -2.43 4.15 1.01 -1.26 0.02 121.20 121.71 1sh2 s ILE 215 Ca -0.04 0.62 0.22 0.00 0.00 0.00 0.00 60.65 61.45 1sh2 s ILE 215 Cb 0.15 -4.06 0.42 0.00 0.01 0.00 0.00 42.46 38.98 1sh2 s ILE 215 CO 0.62 -0.79 1.45 0.54 0.00 0.00 0.00 174.94 176.76 1sh2 n ARG 216 N 8.51 2.21 -2.21 2.79 5.12 0.12 -4.50 116.66 128.70 1sh2 n ARG 216 Ca 0.18 -1.82 -0.41 0.00 -1.93 0.00 0.00 57.85 53.86 1sh2 n ARG 216 Cb 0.49 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 1sh2 n ARG 216 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1sh2 s VAL 217 N -1.63 3.19 0.00 1.55 0.11 -1.26 -2.33 120.40 120.03 1sh2 s VAL 217 Ca 0.36 0.97 0.00 0.00 -2.93 0.00 0.00 61.98 60.38 1sh2 s VAL 217 Cb 0.21 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1sh2 s VAL 217 CO 0.29 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.82 1sh2 n GLY 218 N 2.39 0.38 3.79 6.54 0.00 -1.26 -4.57 105.19 112.45 1sh2 n GLY 218 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1sh2 n GLY 218 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1sh2 s MET 219 N -0.78 3.94 -0.35 1.61 0.00 -0.98 -4.14 119.30 118.60 1sh2 s MET 219 Ca 0.00 1.43 -0.17 0.00 0.00 0.00 0.00 55.69 56.95 1sh2 s MET 219 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 34.83 32.55 1sh2 s MET 219 CO 0.00 -0.33 0.45 1.21 0.00 0.00 0.00 175.02 176.35 1sh2 s ASN 220 N -1.80 6.26 0.17 -1.18 3.84 -1.26 -3.15 114.94 117.81 1sh2 s ASN 220 Ca 0.64 -0.12 -0.15 0.00 0.21 0.00 0.00 52.86 53.44 1sh2 s ASN 220 Cb -0.19 -2.24 0.12 0.00 -0.55 0.00 0.00 41.25 38.39 1sh2 s ASN 220 CO 0.23 -0.42 1.73 -0.03 -2.79 0.00 0.00 177.10 175.82 1sh2 h MET 221 N 8.46 0.21 0.04 0.43 1.85 -1.94 0.31 114.93 124.29 1sh2 h MET 221 Ca -0.29 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 58.79 1sh2 h MET 221 Cb 1.13 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.12 1sh2 h MET 221 CO 0.74 0.14 -0.02 -0.91 -0.40 0.00 0.00 176.91 176.46 1sh2 h ASN 222 N 0.22 -0.04 0.03 1.39 4.21 -1.94 -2.05 115.58 117.39 1sh2 h ASN 222 Ca 0.20 -0.08 -0.15 0.00 1.21 0.00 0.00 56.30 57.47 1sh2 h ASN 222 Cb 0.24 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1sh2 h ASN 222 CO -0.26 0.06 -0.82 -0.33 -1.29 0.00 0.00 177.43 174.79 1sh2 h GLU 223 N -0.14 0.06 0.00 0.81 5.08 -1.92 -3.40 114.58 115.07 1sh2 h GLU 223 Ca -0.01 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1sh2 h GLU 223 Cb 0.13 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1sh2 h GLU 223 CO 0.01 1.05 -1.03 -0.44 -1.00 0.00 0.00 179.01 177.60 1sh2 h ASP 224 N -0.83 0.00 -0.38 1.42 3.32 -0.52 -3.39 116.42 116.04 1sh2 h ASP 224 Ca -0.21 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.91 1sh2 h ASP 224 Cb 1.30 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.77 1sh2 h ASP 224 CO -0.07 0.66 -0.47 1.23 -1.72 0.00 0.00 179.24 178.88 1sh2 h GLY 225 N 3.49 -0.71 -0.00 2.75 0.00 -1.22 -0.86 103.07 106.51 1sh2 h GLY 225 Ca -0.09 0.60 0.17 0.00 0.00 0.00 0.00 47.33 48.01 1sh2 h GLY 225 CO 0.07 -0.17 0.33 -2.55 0.00 0.00 0.00 176.54 174.22 1sh2 h PRO 226 N -0.37 0.41 0.15 4.80 0.11 -1.75 0.15 132.00 135.50 1sh2 h PRO 226 Ca 0.11 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1sh2 h PRO 226 Cb 0.60 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1sh2 h PRO 226 CO -0.56 0.27 -0.07 0.82 -0.21 0.00 0.00 178.00 178.25 1sh2 h ILE 227 N 0.42 0.97 -0.30 4.15 2.04 -1.65 -2.39 117.51 120.75 1sh2 h ILE 227 Ca 0.47 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1sh2 h ILE 227 Cb 0.80 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1sh2 h ILE 227 CO -0.46 0.13 0.13 0.40 0.00 0.00 0.00 178.15 178.35 1sh2 h ILE 228 N -0.45 1.17 -0.25 -0.67 2.04 -0.77 -2.41 117.51 116.16 1sh2 h ILE 228 Ca -0.02 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 1sh2 h ILE 228 Cb 0.36 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1sh2 h ILE 228 CO 0.03 0.17 -0.31 -0.26 0.00 0.00 0.00 178.15 177.78 1sh2 h PHE 229 N 0.35 0.59 -0.55 1.37 0.04 -0.78 -2.33 116.94 115.63 1sh2 h PHE 229 Ca 0.10 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1sh2 h PHE 229 Cb 0.15 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1sh2 h PHE 229 CO -0.01 0.77 0.26 1.49 -0.60 0.00 0.00 178.31 180.22 1sh2 h GLU 230 N 0.44 0.79 -0.72 1.51 4.22 -1.31 -1.94 114.58 117.57 1sh2 h GLU 230 Ca 0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 1sh2 h GLU 230 Cb 0.76 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1sh2 h GLU 230 CO 0.06 0.65 0.45 0.00 -2.18 0.00 0.00 179.01 177.99 1sh2 h ARG 231 N 0.74 0.97 -0.72 1.92 2.47 -1.08 -2.26 114.38 116.42 1sh2 h ARG 231 Ca 0.19 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.89 1sh2 h ARG 231 Cb 0.12 -0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.18 1sh2 h ARG 231 CO -0.02 0.68 0.42 0.45 0.56 0.00 0.00 179.97 182.05 1sh2 h HIS 232 N 0.99 0.76 0.00 3.04 3.86 -1.21 -3.06 115.15 119.53 1sh2 h HIS 232 Ca 0.26 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1sh2 h HIS 232 Cb -0.05 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 1sh2 h HIS 232 CO -0.01 0.37 -0.04 0.66 0.86 0.00 0.00 177.93 179.76 1sh2 h SER 233 N 0.76 0.00 0.00 2.45 4.64 -0.73 -2.41 113.55 118.26 1sh2 h SER 233 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1sh2 h SER 233 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1sh2 h SER 233 CO -0.19 0.04 0.00 -2.11 -0.87 0.00 0.00 176.83 173.71 1sh2 n ARG 234 N -3.80 0.94 -4.02 4.77 1.85 -1.15 -4.77 116.66 110.47 1sh2 n ARG 234 Ca -0.03 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.54 1sh2 n ARG 234 Cb 0.13 -1.18 -0.05 0.00 -1.05 0.00 0.00 32.46 30.31 1sh2 n ARG 234 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1sh2 s TYR 235 N -2.00 3.28 0.08 2.89 1.51 -0.91 -5.04 117.35 117.16 1sh2 s TYR 235 Ca 0.16 0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 56.13 1sh2 s TYR 235 Cb 0.08 -1.61 -0.09 0.00 -0.11 0.00 0.00 41.96 40.22 1sh2 s TYR 235 CO 0.13 0.53 1.45 0.00 -1.11 0.00 0.00 175.55 176.55 1sh2 h ARG 236 N 2.77 0.53 -6.73 -0.62 3.08 -1.83 -3.46 114.38 108.11 1sh2 h ARG 236 Ca -0.47 -0.22 -0.69 0.00 0.07 0.00 0.00 59.98 58.67 1sh2 h ARG 236 Cb 1.18 -0.02 -0.23 0.00 0.08 0.00 0.00 29.97 30.98 1sh2 h ARG 236 CO 0.67 0.77 -0.85 0.71 -1.07 0.00 0.00 179.97 180.21 1sh2 s TYR 237 N -4.63 2.42 -0.03 3.04 2.02 0.30 -4.43 117.35 116.04 1sh2 s TYR 237 Ca -0.13 -0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 56.19 1sh2 s TYR 237 Cb 0.07 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1sh2 s TYR 237 CO 0.78 0.25 0.10 -1.01 -1.57 0.00 0.00 175.55 174.10 1sh2 s HIS 238 N -0.94 -0.08 0.04 2.71 3.76 -0.26 -0.29 115.29 120.24 1sh2 s HIS 238 Ca 0.14 0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 55.15 1sh2 s HIS 238 Cb -0.10 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.61 1sh2 s HIS 238 CO 0.05 -0.09 0.18 1.52 -0.85 0.00 0.00 174.74 175.55 1sh2 s TYR 239 N -0.20 0.07 -0.39 1.40 -0.85 -0.39 -0.38 117.35 116.61 1sh2 s TYR 239 Ca -0.03 -0.29 0.10 0.00 -0.52 0.00 0.00 57.07 56.33 1sh2 s TYR 239 Cb -0.02 -0.04 0.30 0.00 0.38 0.00 0.00 41.96 42.58 1sh2 s TYR 239 CO 0.00 -0.41 0.68 -0.40 -1.52 0.00 0.00 175.55 173.90 1sh2 n ASP 240 N 0.74 0.20 -4.75 -0.18 5.75 -1.26 -1.07 116.55 115.97 1sh2 n ASP 240 Ca -0.19 -2.94 -0.39 0.00 -0.01 0.00 0.00 54.79 51.26 1sh2 n ASP 240 Cb 0.59 -0.35 0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1sh2 n ASP 240 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sh2 s ALA 241 N -1.62 2.95 0.39 2.12 0.00 -1.26 -4.46 121.76 119.87 1sh2 s ALA 241 Ca 0.37 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 1sh2 s ALA 241 Cb 0.27 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1sh2 s ALA 241 CO -0.10 -1.33 0.65 -0.51 0.00 0.00 0.00 175.76 174.47 1sh2 s ASP 242 N -0.80 6.33 -0.03 0.00 1.01 -0.05 -4.43 116.67 118.71 1sh2 s ASP 242 Ca 0.68 0.73 0.03 0.00 0.71 0.00 0.00 52.55 54.70 1sh2 s ASP 242 Cb -0.42 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1sh2 s ASP 242 CO 0.51 -0.39 -0.10 -0.31 0.21 0.00 0.00 175.17 175.09 1sh2 s TYR 243 N -2.43 1.03 0.10 4.23 1.51 -1.26 -1.02 117.35 119.51 1sh2 s TYR 243 Ca 0.44 -0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 56.01 1sh2 s TYR 243 Cb -0.10 -0.73 -0.07 0.00 -0.11 0.00 0.00 41.96 40.95 1sh2 s TYR 243 CO 0.38 -0.10 0.70 -1.12 -1.11 0.00 0.00 175.55 174.29 1sh2 s SER 244 N 0.16 7.22 -1.58 2.29 0.01 -0.57 -4.29 113.70 116.94 1sh2 s SER 244 Ca -0.03 1.45 -0.03 0.00 1.31 0.00 0.00 55.95 58.65 1sh2 s SER 244 Cb -0.09 -2.44 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1sh2 s SER 244 CO 0.01 0.18 0.13 0.54 0.41 0.00 0.00 173.24 174.50 1sh2 n ARG 245 N 2.01 -1.22 -0.10 12.44 1.74 -1.26 -4.44 116.66 125.83 1sh2 n ARG 245 Ca -0.06 0.14 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1sh2 n ARG 245 Cb 0.50 -3.85 -0.03 0.00 -1.02 0.00 0.00 32.46 28.06 1sh2 n ARG 245 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1sh2 h TRP 246 N -1.68 -1.03 -0.66 -1.55 2.91 -1.97 -2.37 115.95 109.61 1sh2 h TRP 246 Ca -0.65 0.06 0.02 0.00 1.13 0.00 0.00 58.89 59.45 1sh2 h TRP 246 Cb 1.40 0.50 -0.04 0.00 -0.51 0.00 0.00 29.16 30.51 1sh2 h TRP 246 CO 0.54 -0.41 0.44 -0.44 -1.03 0.00 0.00 178.44 177.54 1sh2 h ASP 247 N -0.31 0.71 1.21 2.65 3.32 -1.88 -1.31 116.42 120.82 1sh2 h ASP 247 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1sh2 h ASP 247 Cb 0.56 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1sh2 h ASP 247 CO -0.52 0.50 0.00 -1.54 -1.72 0.00 0.00 179.24 175.96 1sh2 n SER 248 N -4.45 0.51 -0.43 6.45 3.41 -0.93 0.23 113.62 118.41 1sh2 n SER 248 Ca 0.08 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1sh2 n SER 248 Cb 0.10 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 63.49 1sh2 n SER 248 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1sh2 n THR 249 N -1.98 0.00 -2.06 6.66 -2.24 -0.52 -4.33 114.28 109.81 1sh2 n THR 249 Ca 0.06 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1sh2 n THR 249 Cb 0.37 0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1sh2 n THR 249 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sh2 s GLN 250 N -2.46 4.26 -0.15 -0.78 -1.52 -1.08 -4.69 119.66 113.24 1sh2 s GLN 250 Ca 0.21 2.25 -0.10 0.00 -1.95 0.00 0.00 55.36 55.78 1sh2 s GLN 250 Cb 0.19 -3.01 -0.05 0.00 -0.22 0.00 0.00 33.01 29.92 1sh2 s GLN 250 CO 0.54 -0.28 0.18 -0.65 -0.25 0.00 0.00 175.29 174.83 1sh2 s GLN 251 N -1.90 3.87 0.38 2.91 -0.21 -1.26 -2.19 119.66 121.25 1sh2 s GLN 251 Ca 0.51 -0.10 0.05 0.00 0.02 0.00 0.00 55.36 55.84 1sh2 s GLN 251 Cb -0.40 -3.31 0.75 0.00 1.00 0.00 0.00 33.01 31.05 1sh2 s GLN 251 CO 0.54 0.52 2.03 0.00 -2.12 0.00 0.00 175.29 176.26 1sh2 h ARG 252 N 5.84 0.68 -0.70 2.91 2.47 -1.87 -1.50 114.38 122.21 1sh2 h ARG 252 Ca -0.48 -0.04 0.08 0.00 -1.26 0.00 0.00 59.98 58.29 1sh2 h ARG 252 Cb 1.19 -0.15 -0.07 0.00 -1.65 0.00 0.00 29.97 29.29 1sh2 h ARG 252 CO 0.68 0.45 0.36 0.00 0.56 0.00 0.00 179.97 182.01 1sh2 h ALA 253 N 1.67 0.96 -0.22 0.04 0.00 -1.96 1.03 119.26 120.77 1sh2 h ALA 253 Ca 0.20 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1sh2 h ALA 253 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sh2 h ALA 253 CO -0.04 -0.03 -0.13 0.28 0.00 0.00 0.00 179.25 179.33 1sh2 h VAL 254 N 0.62 1.31 -0.58 0.00 2.07 -1.82 -2.72 116.25 115.12 1sh2 h VAL 254 Ca 0.34 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1sh2 h VAL 254 Cb 0.32 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1sh2 h VAL 254 CO -0.25 0.37 0.39 -0.07 0.02 0.00 0.00 177.57 178.03 1sh2 h LEU 255 N 0.17 0.51 -0.26 2.57 3.38 -0.49 -1.69 115.31 119.50 1sh2 h LEU 255 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1sh2 h LEU 255 Cb 0.63 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1sh2 h LEU 255 CO 0.04 0.34 0.14 0.00 0.09 0.00 0.00 178.44 179.04 1sh2 h ALA 256 N 1.68 0.34 -0.66 1.53 0.00 0.12 0.71 119.26 122.98 1sh2 h ALA 256 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1sh2 h ALA 256 Cb 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1sh2 h ALA 256 CO -0.07 -0.13 0.42 0.00 0.00 0.00 0.00 179.25 179.47 1sh2 h ALA 257 N 1.02 0.86 -0.50 0.00 0.00 -1.08 0.12 119.26 119.68 1sh2 h ALA 257 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1sh2 h ALA 257 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1sh2 h ALA 257 CO -0.01 0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.71 1sh2 h ALA 258 N 1.27 0.63 -0.43 0.00 0.00 -1.00 -1.75 119.26 117.98 1sh2 h ALA 258 Ca 0.26 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1sh2 h ALA 258 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sh2 h ALA 258 CO -0.09 -0.05 0.03 -0.07 0.00 0.00 0.00 179.25 179.07 1sh2 h LEU 259 N 0.54 0.64 -0.31 0.00 3.38 -0.15 -2.31 115.31 117.10 1sh2 h LEU 259 Ca 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1sh2 h LEU 259 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1sh2 h LEU 259 CO -0.12 0.69 0.10 -0.33 0.09 0.00 0.00 178.44 178.87 1sh2 h GLU 260 N 0.65 0.48 -0.63 1.13 5.08 -0.32 -0.02 114.58 120.96 1sh2 h GLU 260 Ca 0.14 -0.10 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1sh2 h GLU 260 Cb 0.36 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1sh2 h GLU 260 CO 0.01 0.52 0.25 0.82 -1.00 0.00 0.00 179.01 179.61 1sh2 h ILE 261 N 0.35 0.78 -0.63 3.13 2.04 -1.22 -0.55 117.51 121.41 1sh2 h ILE 261 Ca 0.10 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1sh2 h ILE 261 Cb 0.23 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1sh2 h ILE 261 CO -0.00 0.08 0.25 0.24 0.00 0.00 0.00 178.15 178.72 1sh2 h MET 262 N 0.44 0.93 -0.16 2.37 2.86 -0.91 -2.82 114.93 117.64 1sh2 h MET 262 Ca 0.32 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1sh2 h MET 262 Cb 0.39 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1sh2 h MET 262 CO -0.30 0.79 0.06 0.28 1.06 0.00 0.00 176.91 178.79 1sh2 h VAL 263 N 0.87 1.17 -0.98 -2.22 2.07 -0.63 -1.40 116.25 115.13 1sh2 h VAL 263 Ca 0.21 -0.52 0.24 0.00 0.82 0.00 0.00 66.70 67.45 1sh2 h VAL 263 Cb 0.20 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1sh2 h VAL 263 CO -0.02 0.16 0.64 0.50 0.02 0.00 0.00 177.57 178.87 1sh2 h LYS 264 N 0.10 0.40 -0.02 1.57 3.64 -0.96 -1.40 116.57 119.89 1sh2 h LYS 264 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1sh2 h LYS 264 Cb 0.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1sh2 h LYS 264 CO -0.00 0.26 -0.32 1.19 -2.27 0.00 0.00 179.45 178.31 1sh2 n PHE 265 N -4.56 0.00 -1.30 1.91 3.72 -1.07 -4.93 117.46 111.22 1sh2 n PHE 265 Ca 0.22 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.31 1sh2 n PHE 265 Cb 0.79 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.42 1sh2 n PHE 265 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1sh2 s SER 266 N -2.30 4.38 0.46 4.37 1.04 -0.53 -4.55 113.70 116.57 1sh2 s SER 266 Ca 0.21 1.96 0.24 0.00 0.48 0.00 0.00 55.95 58.84 1sh2 s SER 266 Cb 0.19 -2.54 1.09 0.00 0.10 0.00 0.00 66.02 64.85 1sh2 s SER 266 CO 0.48 -2.12 1.91 0.77 0.98 0.00 0.00 173.24 175.26 1sh2 h SER 267 N -0.91 0.00 -2.41 7.02 4.64 -1.84 -3.35 113.55 116.71 1sh2 h SER 267 Ca -0.44 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 1sh2 h SER 267 Cb 1.24 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.95 1sh2 h SER 267 CO 0.50 0.22 -0.94 -0.62 -0.87 0.00 0.00 176.83 175.12 1sh2 n GLU 268 N -3.56 0.42 -0.29 4.77 4.71 -1.26 -4.97 120.64 120.46 1sh2 n GLU 268 Ca -0.01 -3.33 0.09 0.00 -0.01 0.00 0.00 57.16 53.89 1sh2 n GLU 268 Cb 0.36 -1.71 0.32 0.00 -1.01 0.00 0.00 31.44 29.39 1sh2 n GLU 268 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1sh2 h PRO 269 N 5.48 0.81 0.00 3.49 0.11 -1.77 0.76 132.00 140.88 1sh2 h PRO 269 Ca 0.24 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1sh2 h PRO 269 Cb 0.89 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1sh2 h PRO 269 CO 0.42 0.54 -0.32 1.12 -0.21 0.00 0.00 178.00 179.55 1sh2 h HIS 270 N 0.84 0.00 0.10 0.65 2.07 -1.95 -1.52 115.15 115.33 1sh2 h HIS 270 Ca 0.43 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.62 1sh2 h HIS 270 Cb 0.51 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.47 1sh2 h HIS 270 CO -0.00 0.32 -1.78 -0.07 -3.07 0.00 0.00 177.93 173.33 1sh2 h LEU 271 N 0.00 0.32 -2.16 6.12 3.38 -1.70 -3.38 115.31 117.89 1sh2 h LEU 271 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1sh2 h LEU 271 Cb 0.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sh2 h LEU 271 CO 0.04 1.76 0.00 0.00 0.09 0.00 0.00 178.44 180.33 1sh2 h ALA 272 N -0.08 1.00 0.01 1.53 0.00 -0.79 -2.74 119.26 118.20 1sh2 h ALA 272 Ca -0.40 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 1sh2 h ALA 272 Cb 1.84 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 1sh2 h ALA 272 CO 0.02 0.00 -1.04 -0.56 0.00 0.00 0.00 179.25 177.66 1sh2 h GLN 273 N 0.00 0.02 0.02 0.00 3.07 -1.45 -2.11 115.11 114.65 1sh2 h GLN 273 Ca 0.00 -0.04 0.03 0.00 0.09 0.00 0.00 58.65 58.73 1sh2 h GLN 273 Cb 0.20 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.74 1sh2 h GLN 273 CO 0.00 1.00 -0.19 0.28 0.09 0.00 0.00 178.83 180.02 1sh2 h VAL 274 N 0.01 0.55 -0.20 1.86 2.07 -1.68 0.66 116.25 119.52 1sh2 h VAL 274 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1sh2 h VAL 274 Cb 1.79 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1sh2 h VAL 274 CO 0.13 0.00 0.00 0.58 0.02 0.00 0.00 177.57 178.31 1sh2 h VAL 275 N -0.31 0.86 -0.64 2.57 2.07 -1.59 -1.90 116.25 117.31 1sh2 h VAL 275 Ca 0.05 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.61 1sh2 h VAL 275 Cb 0.38 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1sh2 h VAL 275 CO -0.17 0.01 0.35 0.00 0.02 0.00 0.00 177.57 177.78 1sh2 h ALA 276 N 1.17 0.86 0.00 1.67 0.00 -1.16 -1.60 119.26 120.20 1sh2 h ALA 276 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1sh2 h ALA 276 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sh2 h ALA 276 CO -0.16 0.01 -0.44 1.05 0.00 0.00 0.00 179.25 179.72 1sh2 h GLU 277 N 0.64 0.00 -0.17 0.00 4.11 -0.56 -1.96 114.58 116.64 1sh2 h GLU 277 Ca 0.29 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.58 1sh2 h GLU 277 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1sh2 h GLU 277 CO -0.19 0.44 -0.50 -0.44 0.07 0.00 0.00 179.01 178.39 1sh2 h ASP 278 N 0.00 0.49 0.80 3.06 3.32 -0.86 -2.49 116.42 120.74 1sh2 h ASP 278 Ca -0.00 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1sh2 h ASP 278 Cb 0.78 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1sh2 h ASP 278 CO 0.06 0.91 -0.34 -0.07 -1.72 0.00 0.00 179.24 178.08 1sh2 h LEU 279 N 0.35 0.00 0.17 1.55 3.38 -0.95 -3.28 115.31 116.53 1sh2 h LEU 279 Ca 0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 1sh2 h LEU 279 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1sh2 h LEU 279 CO 0.09 0.34 -1.51 0.25 0.09 0.00 0.00 178.44 177.69 1sh2 h LEU 280 N 0.00 0.55 -9.85 1.67 5.85 -1.23 -3.47 115.31 108.84 1sh2 h LEU 280 Ca -0.00 -0.69 -0.56 0.00 0.84 0.00 0.00 57.88 57.47 1sh2 h LEU 280 Cb 0.83 -0.18 0.18 0.00 0.37 0.00 0.00 40.66 41.86 1sh2 h LEU 280 CO 0.04 1.56 -0.08 -1.20 -0.34 0.00 0.00 178.44 178.42 1sh2 n SER 281 N -3.56 -0.16 -4.71 1.25 7.64 -0.95 -4.80 113.62 108.33 1sh2 n SER 281 Ca -0.17 0.63 -0.60 0.00 1.01 0.00 0.00 58.87 59.74 1sh2 n SER 281 Cb 1.06 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.85 1sh2 n SER 281 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1sh2 n PRO 282 N -1.50 0.85 -2.18 1.43 -0.02 -1.26 -4.85 135.00 127.47 1sh2 n PRO 282 Ca 0.12 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 1sh2 n PRO 282 Cb 0.50 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1sh2 n PRO 282 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sh2 s SER 283 N 3.23 6.81 -0.30 2.55 0.01 0.14 -4.72 113.70 121.42 1sh2 s SER 283 Ca 0.99 2.13 -0.24 0.00 1.31 0.00 0.00 55.95 60.14 1sh2 s SER 283 Cb -1.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 62.50 1sh2 s SER 283 CO 0.69 -0.77 0.81 -0.69 0.41 0.00 0.00 173.24 173.69 1sh2 s VAL 284 N 2.76 4.78 -0.08 3.43 1.01 -1.26 -0.27 120.40 130.77 1sh2 s VAL 284 Ca 0.65 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1sh2 s VAL 284 Cb -0.32 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1sh2 s VAL 284 CO 0.26 -0.25 -0.06 0.54 0.00 0.00 0.00 175.10 175.59 1sh2 s VAL 285 N 2.99 0.76 -0.61 2.92 0.11 0.86 -1.11 120.40 126.33 1sh2 s VAL 285 Ca 0.33 -0.18 -0.27 0.00 -2.93 0.00 0.00 61.98 58.93 1sh2 s VAL 285 Cb -0.14 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1sh2 s VAL 285 CO 0.12 0.30 1.17 -0.62 -3.33 0.00 0.00 175.10 172.74 1sh2 s ASP 286 N 1.35 6.37 -0.19 3.54 -1.08 0.28 -0.91 116.67 126.03 1sh2 s ASP 286 Ca -0.03 -0.10 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 1sh2 s ASP 286 Cb -0.14 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.51 1sh2 s ASP 286 CO -0.03 -1.51 1.60 1.33 0.52 0.00 0.00 175.17 177.08 1sh2 n VAL 287 N 6.53 2.32 0.00 1.11 0.24 -0.12 -0.96 118.33 127.45 1sh2 n VAL 287 Ca 0.06 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.15 1sh2 n VAL 287 Cb 0.49 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 1sh2 n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sh2 n GLY 288 N 0.66 1.03 0.29 7.63 0.00 -1.26 -4.44 105.19 109.10 1sh2 n GLY 288 Ca 0.25 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 1sh2 n GLY 288 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sh2 h ASP 289 N 0.00 0.90 -5.34 1.61 5.19 -1.93 -3.26 116.42 113.59 1sh2 h ASP 289 Ca 0.00 -0.11 -0.12 0.00 -0.62 0.00 0.00 57.03 56.18 1sh2 h ASP 289 Cb 0.00 -0.23 -0.10 0.00 0.18 0.00 0.00 39.33 39.18 1sh2 h ASP 289 CO 0.00 0.76 -0.22 -0.36 -3.12 0.00 0.00 179.24 176.30 1sh2 s PHE 290 N -5.78 0.61 -0.21 4.55 0.08 -1.26 -3.97 117.98 111.99 1sh2 s PHE 290 Ca -0.13 -0.93 -0.10 0.00 0.12 0.00 0.00 56.93 55.89 1sh2 s PHE 290 Cb 0.14 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.56 1sh2 s PHE 290 CO 0.80 -0.95 0.13 0.99 -0.10 0.00 0.00 175.22 176.10 1sh2 s THR 291 N -3.91 5.34 0.38 0.64 2.01 0.35 -0.94 115.64 119.51 1sh2 s THR 291 Ca 0.27 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.48 1sh2 s THR 291 Cb 0.01 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1sh2 s THR 291 CO 0.11 0.41 0.06 0.27 -0.69 0.00 0.00 174.62 174.77 1sh2 s ILE 292 N 0.61 1.24 -0.14 1.82 -4.36 -0.09 -0.55 121.20 119.73 1sh2 s ILE 292 Ca 0.07 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.49 1sh2 s ILE 292 Cb -0.12 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.91 1sh2 s ILE 292 CO 0.00 0.00 -0.22 -0.55 0.24 0.00 0.00 174.94 174.42 1sh2 s SER 293 N -3.59 3.12 -0.27 4.36 0.15 -0.45 -0.10 113.70 116.91 1sh2 s SER 293 Ca 0.31 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1sh2 s SER 293 Cb 0.07 -1.45 0.05 0.00 -1.71 0.00 0.00 66.02 62.98 1sh2 s SER 293 CO 0.15 0.07 -0.06 -0.63 1.20 0.00 0.00 173.24 173.97 1sh2 s ILE 294 N 0.85 2.64 -2.24 6.45 -1.09 0.62 -3.78 121.20 124.65 1sh2 s ILE 294 Ca -0.06 -1.39 0.26 0.00 -2.23 0.00 0.00 60.65 57.23 1sh2 s ILE 294 Cb -0.15 -2.48 0.35 0.00 -1.58 0.00 0.00 42.46 38.60 1sh2 s ILE 294 CO -0.03 0.01 1.56 -0.46 -1.23 0.00 0.00 174.94 174.79 1sh2 n ASN 295 N 4.56 1.56 -4.27 3.58 0.23 -1.26 0.26 115.26 119.92 1sh2 n ASN 295 Ca -0.14 -1.34 -0.15 0.00 -0.53 0.00 0.00 54.58 52.42 1sh2 n ASN 295 Cb 0.44 0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 38.13 1sh2 n ASN 295 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1sh2 s GLU 296 N -2.23 1.27 0.05 -3.83 0.41 -1.26 -4.75 118.70 108.35 1sh2 s GLU 296 Ca 0.30 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 1sh2 s GLU 296 Cb 0.20 -0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.36 1sh2 s GLU 296 CO 0.42 -0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.35 1sh2 n GLY 297 N -0.35 -1.82 3.69 -1.39 0.00 -0.93 -4.87 105.19 99.52 1sh2 n GLY 297 Ca -0.02 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.17 1sh2 n GLY 297 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sh2 s LEU 298 N -4.47 4.17 -0.93 0.99 2.96 0.14 -4.77 118.68 116.76 1sh2 s LEU 298 Ca 0.00 0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.96 1sh2 s LEU 298 Cb 0.00 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.48 1sh2 s LEU 298 CO 0.00 0.08 1.66 -2.16 -1.32 0.00 0.00 176.35 174.61 1sh2 s PRO 299 N 0.80 3.10 -0.14 0.98 0.04 -1.26 -4.53 135.00 134.00 1sh2 s PRO 299 Ca 0.11 -0.65 -0.37 0.00 0.04 0.00 0.00 61.00 60.14 1sh2 s PRO 299 Cb -0.13 -5.12 -0.14 0.00 0.04 0.00 0.00 34.50 29.16 1sh2 s PRO 299 CO 0.03 -2.70 1.78 0.43 0.04 0.00 0.00 177.00 176.58 1sh2 n SER 300 N 11.15 2.92 0.00 6.66 7.64 -1.26 -1.60 113.62 139.13 1sh2 n SER 300 Ca 0.33 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1sh2 n SER 300 Cb 0.49 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1sh2 n SER 300 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sh2 n GLY 301 N 4.16 0.49 3.66 0.23 0.00 -1.26 -0.26 105.19 112.20 1sh2 n GLY 301 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 1sh2 n GLY 301 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sh2 n VAL 302 N -1.45 1.49 -0.19 1.61 3.14 -0.63 -4.48 118.33 117.83 1sh2 n VAL 302 Ca 0.00 -0.37 -0.05 0.00 -2.96 0.00 0.00 64.34 60.96 1sh2 n VAL 302 Cb 0.00 -1.37 -0.04 0.00 -1.06 0.00 0.00 33.84 31.37 1sh2 n VAL 302 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sh2 n PRO 303 N 1.27 -0.20 -1.35 1.45 -0.02 -1.26 -0.78 135.00 134.11 1sh2 n PRO 303 Ca 0.09 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 1sh2 n PRO 303 Cb 0.33 -1.02 0.10 0.00 -0.02 0.00 0.00 33.50 32.89 1sh2 n PRO 303 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sh2 n THR 305 N -0.96 -0.58 -0.09 0.00 -1.04 0.04 -2.66 114.28 108.99 1sh2 n THR 305 Ca 0.58 2.21 -0.03 0.00 -2.04 0.00 0.00 64.05 64.77 1sh2 n THR 305 Cb 0.95 -2.79 0.21 0.00 -1.82 0.00 0.00 70.33 66.87 1sh2 n THR 305 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1sh2 h SER 306 N 0.00 0.70 0.14 8.00 4.64 -1.89 0.18 113.55 125.32 1sh2 h SER 306 Ca 0.20 -0.14 -0.22 0.00 -0.47 0.00 0.00 61.79 61.17 1sh2 h SER 306 Cb 0.44 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1sh2 h SER 306 CO -0.88 0.73 -0.94 1.56 -0.87 0.00 0.00 176.83 176.43 1sh2 h GLN 307 N 0.71 0.40 -0.34 4.77 7.50 -1.93 0.40 115.11 126.61 1sh2 h GLN 307 Ca 0.15 -0.61 0.08 0.00 0.50 0.00 0.00 58.65 58.77 1sh2 h GLN 307 Cb 0.35 0.22 -0.08 0.00 0.05 0.00 0.00 27.48 28.02 1sh2 h GLN 307 CO 0.01 1.27 -0.24 2.35 -1.50 0.00 0.00 178.83 180.72 1sh2 h TRP 308 N -0.17 -0.62 -0.49 2.96 7.01 -1.32 0.01 115.95 123.33 1sh2 h TRP 308 Ca -0.16 0.04 0.07 0.00 2.11 0.00 0.00 58.89 60.95 1sh2 h TRP 308 Cb 1.71 0.32 -0.06 0.00 -2.10 0.00 0.00 29.16 29.04 1sh2 h TRP 308 CO 0.17 -0.31 0.18 -0.91 -2.79 0.00 0.00 178.44 174.78 1sh2 h ASN 309 N -0.19 0.18 -0.47 2.65 2.35 -0.92 -1.42 115.58 117.76 1sh2 h ASN 309 Ca 0.17 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1sh2 h ASN 309 Cb 0.46 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1sh2 h ASN 309 CO -0.45 0.13 0.24 0.28 -1.65 0.00 0.00 177.43 175.98 1sh2 h SER 310 N 0.35 0.62 -0.11 5.81 0.02 -0.26 0.14 113.55 120.13 1sh2 h SER 310 Ca 0.24 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1sh2 h SER 310 Cb 0.25 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.64 1sh2 h SER 310 CO -0.24 0.53 -0.58 0.40 -1.14 0.00 0.00 176.83 175.81 1sh2 h ILE 311 N 0.70 1.35 -0.15 3.27 2.04 -0.53 -1.36 117.51 122.83 1sh2 h ILE 311 Ca 0.18 -1.87 0.03 0.00 1.00 0.00 0.00 64.86 64.19 1sh2 h ILE 311 Cb 0.07 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1sh2 h ILE 311 CO -0.02 0.57 -0.04 0.00 0.00 0.00 0.00 178.15 178.66 1sh2 h ALA 312 N 0.48 0.10 -0.25 1.87 0.00 -0.91 0.81 119.26 121.36 1sh2 h ALA 312 Ca -0.04 0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1sh2 h ALA 312 Cb 1.22 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1sh2 h ALA 312 CO 0.12 -0.48 -0.15 1.25 0.00 0.00 0.00 179.25 179.98 1sh2 h HIS 313 N 0.00 -0.39 -0.53 0.00 6.17 -0.73 -0.15 115.15 119.53 1sh2 h HIS 313 Ca 0.07 0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.29 1sh2 h HIS 313 Cb 0.11 0.21 -0.08 0.00 2.52 0.00 0.00 27.41 30.17 1sh2 h HIS 313 CO -0.19 -0.23 0.02 2.35 0.71 0.00 0.00 177.93 180.60 1sh2 h TRP 314 N -0.14 0.01 -0.55 5.26 2.91 -0.84 0.18 115.95 122.78 1sh2 h TRP 314 Ca 0.14 0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.24 1sh2 h TRP 314 Cb 0.34 0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 1sh2 h TRP 314 CO -0.33 -0.10 0.30 -0.07 -1.03 0.00 0.00 178.44 177.21 1sh2 h LEU 315 N 0.14 0.46 -0.34 0.65 3.38 0.04 -2.32 115.31 117.32 1sh2 h LEU 315 Ca 0.27 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 1sh2 h LEU 315 Cb 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1sh2 h LEU 315 CO -0.42 0.31 -0.18 -0.07 0.09 0.00 0.00 178.44 178.17 1sh2 h LEU 316 N 0.59 0.74 -0.26 1.67 3.38 -0.22 -1.11 115.31 120.09 1sh2 h LEU 316 Ca 0.24 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1sh2 h LEU 316 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1sh2 h LEU 316 CO -0.14 0.99 0.13 0.74 0.09 0.00 0.00 178.44 180.24 1sh2 h THR 317 N 0.49 1.14 -0.30 0.22 2.02 -0.91 0.24 112.91 115.81 1sh2 h THR 317 Ca 0.07 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1sh2 h THR 317 Cb 0.72 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1sh2 h THR 317 CO 0.05 0.14 0.10 -0.07 0.37 0.00 0.00 175.52 176.12 1sh2 h LEU 318 N 0.29 0.12 -0.04 2.58 3.38 -1.37 0.62 115.31 120.88 1sh2 h LEU 318 Ca 0.09 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1sh2 h LEU 318 Cb 0.11 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1sh2 h LEU 318 CO -0.01 0.10 -0.02 0.00 0.09 0.00 0.00 178.44 178.60 1sh2 h ALA 320 N 1.02 0.92 -0.28 0.00 0.00 -0.22 -1.41 119.26 119.29 1sh2 h ALA 320 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1sh2 h ALA 320 Cb 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sh2 h ALA 320 CO -0.05 0.50 -0.04 -0.07 0.00 0.00 0.00 179.25 179.59 1sh2 h LEU 321 N 1.00 0.53 -0.52 0.00 3.38 -0.84 -2.91 115.31 115.95 1sh2 h LEU 321 Ca 0.24 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1sh2 h LEU 321 Cb 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1sh2 h LEU 321 CO -0.03 0.74 0.28 -1.28 0.09 0.00 0.00 178.44 178.25 1sh2 h SER 322 N 0.30 0.42 0.83 -0.43 0.87 -0.88 -1.74 113.55 112.93 1sh2 h SER 322 Ca 0.08 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 1sh2 h SER 322 Cb 0.50 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1sh2 h SER 322 CO 0.02 0.29 -0.49 -0.33 -0.53 0.00 0.00 176.83 175.79 1sh2 h GLU 323 N 0.55 0.00 0.00 2.24 5.08 -1.27 -0.39 114.58 120.79 1sh2 h GLU 323 Ca 0.22 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.40 1sh2 h GLU 323 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1sh2 h GLU 323 CO -0.13 0.49 -1.22 0.28 -1.00 0.00 0.00 179.01 177.43 1sh2 h VAL 324 N 0.00 0.74 0.00 3.13 2.07 -1.38 -3.36 116.25 117.44 1sh2 h VAL 324 Ca -0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1sh2 h VAL 324 Cb 1.04 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1sh2 h VAL 324 CO 0.06 0.42 -1.82 1.07 0.02 0.00 0.00 177.57 177.32 1sh2 n THR 325 N -3.03 0.00 -3.69 2.57 5.66 -0.67 -4.93 114.28 110.19 1sh2 n THR 325 Ca -0.07 -0.41 -0.28 0.00 -3.05 0.00 0.00 64.05 60.24 1sh2 n THR 325 Cb 0.86 0.17 0.02 0.00 -1.55 0.00 0.00 70.33 69.83 1sh2 n THR 325 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1sh2 n ASN 326 N -2.13 -4.85 -4.39 1.09 4.05 -0.16 -5.02 115.26 103.85 1sh2 n ASN 326 Ca -0.03 -0.64 -0.28 0.00 0.45 0.00 0.00 54.58 54.09 1sh2 n ASN 326 Cb 0.52 -3.89 -0.13 0.00 1.23 0.00 0.00 39.78 37.51 1sh2 n ASN 326 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sh2 s LEU 327 N -7.07 2.35 0.61 1.20 1.43 -1.17 -5.07 118.68 110.95 1sh2 s LEU 327 Ca 0.57 -0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1sh2 s LEU 327 Cb -0.29 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1sh2 s LEU 327 CO 0.71 0.15 1.18 -0.94 0.23 0.00 0.00 176.35 177.68 1sh2 s SER 328 N -2.20 5.17 0.31 2.29 1.04 -1.26 -4.42 113.70 114.63 1sh2 s SER 328 Ca 0.15 2.30 0.07 0.00 0.48 0.00 0.00 55.95 58.95 1sh2 s SER 328 Cb -0.09 -2.59 0.81 0.00 0.10 0.00 0.00 66.02 64.24 1sh2 s SER 328 CO 0.07 -1.60 1.75 -0.65 0.98 0.00 0.00 173.24 173.79 1sh2 h PRO 329 N 0.71 0.65 -0.29 4.02 0.11 -1.89 -0.14 132.00 135.18 1sh2 h PRO 329 Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.61 1sh2 h PRO 329 Cb 1.28 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1sh2 h PRO 329 CO 0.55 0.43 0.06 -0.44 -0.21 0.00 0.00 178.00 178.39 1sh2 h ASP 330 N 0.67 0.02 -0.33 -2.05 3.32 -1.91 0.65 116.42 116.79 1sh2 h ASP 330 Ca 0.61 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.60 1sh2 h ASP 330 Cb 1.05 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1sh2 h ASP 330 CO -0.43 0.05 -0.14 0.40 -1.72 0.00 0.00 179.24 177.39 1sh2 h ILE 331 N 0.17 1.26 0.03 0.35 2.04 -1.62 -1.31 117.51 118.44 1sh2 h ILE 331 Ca 0.13 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1sh2 h ILE 331 Cb 0.13 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1sh2 h ILE 331 CO -0.17 0.41 -0.02 0.40 0.00 0.00 0.00 178.15 178.78 1sh2 h ILE 332 N 0.70 1.09 -0.74 -0.67 1.08 -0.69 -2.84 117.51 115.43 1sh2 h ILE 332 Ca 0.11 -0.37 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 1sh2 h ILE 332 Cb 0.63 1.33 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 1sh2 h ILE 332 CO 0.04 0.09 0.44 -0.61 -0.69 0.00 0.00 178.15 177.43 1sh2 h GLN 333 N -0.21 0.78 0.00 2.37 5.75 -0.76 -2.28 115.11 120.77 1sh2 h GLN 333 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1sh2 h GLN 333 Cb 0.19 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.56 1sh2 h GLN 333 CO 0.01 0.52 0.00 0.00 -2.65 0.00 0.00 178.83 176.71 1sh2 h ALA 334 N 1.36 1.00 0.00 3.38 0.00 -1.11 -2.97 119.26 120.93 1sh2 h ALA 334 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1sh2 h ALA 334 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sh2 h ALA 334 CO -0.17 0.00 -0.00 0.09 0.00 0.00 0.00 179.25 179.17 1sh2 n ASN 335 N -2.53 1.97 -4.24 0.00 3.02 -1.00 -5.05 115.26 107.42 1sh2 n ASN 335 Ca 0.01 -2.15 -0.14 0.00 -0.03 0.00 0.00 54.58 52.27 1sh2 n ASN 335 Cb 0.21 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1sh2 n ASN 335 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sh2 s SER 336 N -1.29 1.13 -0.05 6.41 0.01 -0.89 -0.45 113.70 118.57 1sh2 s SER 336 Ca 0.06 -1.20 -0.02 0.00 1.31 0.00 0.00 55.95 56.09 1sh2 s SER 336 Cb 0.05 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.45 1sh2 s SER 336 CO 0.01 -0.60 0.06 -0.22 0.41 0.00 0.00 173.24 172.89 1sh2 s LEU 337 N -3.18 0.21 0.21 2.44 2.96 0.34 -4.88 118.68 116.77 1sh2 s LEU 337 Ca 0.26 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1sh2 s LEU 337 Cb 0.06 -0.18 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 1sh2 s LEU 337 CO 0.05 -0.25 0.26 -0.36 -1.32 0.00 0.00 176.35 174.73 1sh2 s PHE 338 N 2.14 3.33 -0.06 5.38 0.08 -1.26 -1.52 117.98 126.07 1sh2 s PHE 338 Ca 0.05 -0.01 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 1sh2 s PHE 338 Cb -0.12 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1sh2 s PHE 338 CO -0.04 0.49 0.04 -1.12 -0.10 0.00 0.00 175.22 174.49 1sh2 s SER 339 N -3.62 1.36 -0.03 1.36 0.01 -0.21 -4.40 113.70 108.16 1sh2 s SER 339 Ca 0.33 -0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.63 1sh2 s SER 339 Cb -0.09 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 1sh2 s SER 339 CO 0.27 -0.23 -0.18 -0.36 0.41 0.00 0.00 173.24 173.15 1sh2 s PHE 340 N 2.09 1.69 -0.38 2.43 0.08 0.10 -1.54 117.98 122.46 1sh2 s PHE 340 Ca 0.05 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.68 1sh2 s PHE 340 Cb -0.12 -1.13 0.15 0.00 -0.57 0.00 0.00 43.02 41.35 1sh2 s PHE 340 CO -0.04 -0.12 0.25 -0.47 -0.10 0.00 0.00 175.22 174.74 1sh2 s TYR 341 N -0.11 0.96 0.00 0.36 6.14 -0.38 -0.70 117.35 123.62 1sh2 s TYR 341 Ca -0.00 -1.91 0.00 0.00 0.64 0.00 0.00 57.07 55.80 1sh2 s TYR 341 Cb -0.10 -1.01 0.00 0.00 0.42 0.00 0.00 41.96 41.27 1sh2 s TYR 341 CO 0.01 -0.82 0.00 0.41 0.64 0.00 0.00 175.55 175.79 1sh2 n GLY 342 N 3.64 2.22 0.08 8.97 0.00 -1.25 -1.56 105.19 117.29 1sh2 n GLY 342 Ca 0.17 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1sh2 n GLY 342 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sh2 h ASP 343 N 0.00 0.00 -3.86 1.61 2.03 -1.93 -3.39 116.42 110.89 1sh2 h ASP 343 Ca 0.00 -0.17 -0.49 0.00 -0.73 0.00 0.00 57.03 55.64 1sh2 h ASP 343 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1sh2 h ASP 343 CO 0.00 0.08 0.43 -0.62 -1.03 0.00 0.00 179.24 178.10 1sh2 s ASP 344 N -4.44 7.15 -0.06 4.15 -1.08 -0.60 -4.62 116.67 117.17 1sh2 s ASP 344 Ca 0.06 2.12 -0.15 0.00 -0.52 0.00 0.00 52.55 54.06 1sh2 s ASP 344 Cb 0.13 -2.61 0.03 0.00 -1.46 0.00 0.00 42.92 39.01 1sh2 s ASP 344 CO 0.72 -0.22 0.36 -1.83 0.52 0.00 0.00 175.17 174.72 1sh2 s GLU 345 N -1.81 0.62 -0.10 4.34 -1.05 -1.26 -1.24 118.70 118.20 1sh2 s GLU 345 Ca 0.49 0.08 0.03 0.00 -0.15 0.00 0.00 54.97 55.42 1sh2 s GLU 345 Cb -0.27 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.71 1sh2 s GLU 345 CO 0.34 -0.15 -0.20 0.42 0.95 0.00 0.00 175.26 176.62 1sh2 s ILE 346 N -0.80 1.80 -0.23 1.83 1.01 -0.59 -4.44 121.20 119.78 1sh2 s ILE 346 Ca -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 1sh2 s ILE 346 Cb -0.04 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1sh2 s ILE 346 CO 0.03 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.70 1sh2 s VAL 347 N 0.58 2.87 -0.01 2.92 1.01 -0.23 -1.05 120.40 126.48 1sh2 s VAL 347 Ca -0.14 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1sh2 s VAL 347 Cb -0.17 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1sh2 s VAL 347 CO 0.05 0.33 -0.11 -0.44 0.00 0.00 0.00 175.10 174.92 1sh2 s SER 348 N 1.36 4.27 -0.02 3.32 0.01 -0.58 -1.26 113.70 120.81 1sh2 s SER 348 Ca 0.03 -0.20 -0.26 0.00 1.31 0.00 0.00 55.95 56.82 1sh2 s SER 348 Cb -0.15 -0.92 0.06 0.00 0.21 0.00 0.00 66.02 65.22 1sh2 s SER 348 CO -0.06 0.31 0.58 0.28 0.41 0.00 0.00 173.24 174.76 1sh2 s THR 349 N -0.88 0.02 -1.25 1.44 -1.32 0.61 -0.51 115.64 113.75 1sh2 s THR 349 Ca 0.14 -0.13 0.25 0.00 -1.21 0.00 0.00 61.69 60.74 1sh2 s THR 349 Cb -0.11 -0.92 0.09 0.00 -1.51 0.00 0.00 72.50 70.06 1sh2 s THR 349 CO 0.04 -0.07 1.46 0.47 -2.21 0.00 0.00 174.62 174.31 1sh2 n ASP 350 N 0.89 0.68 -4.72 8.08 8.00 0.40 -0.54 116.55 129.34 1sh2 n ASP 350 Ca -0.19 -0.47 -0.40 0.00 0.71 0.00 0.00 54.79 54.44 1sh2 n ASP 350 Cb 0.57 0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 1sh2 n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sh2 s ILE 351 N -2.83 4.97 0.06 0.53 1.01 -1.26 -4.87 121.20 118.80 1sh2 s ILE 351 Ca 0.15 1.55 -0.31 0.00 0.00 0.00 0.00 60.65 62.05 1sh2 s ILE 351 Cb 0.18 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 1sh2 s ILE 351 CO 0.64 0.26 1.39 -0.75 0.00 0.00 0.00 174.94 176.48 1sh2 s LYS 352 N 0.65 4.31 0.08 2.79 2.20 -1.26 -4.86 119.74 123.65 1sh2 s LYS 352 Ca 0.39 2.01 0.09 0.00 -0.36 0.00 0.00 55.97 58.10 1sh2 s LYS 352 Cb -0.19 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1sh2 s LYS 352 CO 0.20 -0.49 -0.23 -0.51 -0.36 0.00 0.00 175.35 173.96 1sh2 s LEU 353 N 1.72 2.39 -0.41 5.43 1.43 -1.26 -5.05 118.68 122.93 1sh2 s LEU 353 Ca 0.64 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.90 1sh2 s LEU 353 Cb -0.34 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1sh2 s LEU 353 CO 0.29 0.23 0.92 -0.62 0.23 0.00 0.00 176.35 177.39 1sh2 s ASP 354 N -1.64 6.60 0.26 2.29 -1.08 -1.26 -4.95 116.67 116.89 1sh2 s ASP 354 Ca 0.14 0.38 0.08 0.00 -0.52 0.00 0.00 52.55 52.63 1sh2 s ASP 354 Cb -0.10 -2.46 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 1sh2 s ASP 354 CO 0.05 -0.94 1.60 -0.65 0.52 0.00 0.00 175.17 175.76 1sh2 h PRO 355 N 8.74 0.09 0.03 4.34 0.11 -1.99 -1.66 132.00 141.66 1sh2 h PRO 355 Ca -0.24 -0.06 -0.24 0.00 0.11 0.00 0.00 66.00 65.58 1sh2 h PRO 355 Cb 1.08 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sh2 h PRO 355 CO 1.00 0.66 -1.00 1.05 -0.21 0.00 0.00 178.00 179.50 1sh2 h GLU 356 N 0.07 0.39 -0.46 1.05 4.11 -1.92 -2.31 114.58 115.51 1sh2 h GLU 356 Ca -0.01 -0.45 -0.05 0.00 0.07 0.00 0.00 59.36 58.92 1sh2 h GLU 356 Cb 1.08 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1sh2 h GLU 356 CO 0.08 1.13 0.10 0.87 0.07 0.00 0.00 179.01 181.26 1sh2 h LYS 357 N 0.20 0.75 -0.80 1.06 1.57 -1.96 -1.25 116.57 116.14 1sh2 h LYS 357 Ca -0.09 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1sh2 h LYS 357 Cb 1.65 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.83 1sh2 h LYS 357 CO 0.17 0.75 0.52 1.25 -0.57 0.00 0.00 179.45 181.57 1sh2 h LEU 358 N 0.62 0.92 -0.09 2.94 5.85 -1.32 -1.44 115.31 122.80 1sh2 h LEU 358 Ca 0.14 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sh2 h LEU 358 Cb 0.35 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1sh2 h LEU 358 CO 0.00 0.68 0.03 0.74 -0.34 0.00 0.00 178.44 179.55 1sh2 h THR 359 N 1.08 1.17 -0.57 1.05 2.02 -1.21 -2.36 112.91 114.09 1sh2 h THR 359 Ca 0.29 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1sh2 h THR 359 Cb -0.11 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1sh2 h THR 359 CO -0.06 0.15 0.35 0.00 0.37 0.00 0.00 175.52 176.32 1sh2 h ALA 360 N 0.85 1.55 -0.35 6.16 0.00 -1.10 -2.24 119.26 124.13 1sh2 h ALA 360 Ca 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1sh2 h ALA 360 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1sh2 h ALA 360 CO -0.00 0.40 -0.08 -0.22 0.00 0.00 0.00 179.25 179.35 1sh2 h LYS 361 N 0.78 0.66 -0.47 0.00 1.63 -1.13 0.07 116.57 118.12 1sh2 h LYS 361 Ca 0.21 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 1sh2 h LYS 361 Cb -0.04 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 1sh2 h LYS 361 CO -0.04 0.83 0.15 -0.07 -3.45 0.00 0.00 179.45 176.86 1sh2 h LEU 362 N 0.45 0.69 -1.49 5.20 3.38 -1.20 -2.34 115.31 120.00 1sh2 h LEU 362 Ca 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1sh2 h LEU 362 Cb 0.58 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1sh2 h LEU 362 CO 0.03 0.71 0.19 0.11 0.09 0.00 0.00 178.44 179.58 1sh2 h LYS 363 N 0.63 0.54 -0.99 1.13 1.57 -1.29 -1.96 116.57 116.19 1sh2 h LYS 363 Ca 0.15 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1sh2 h LYS 363 Cb 0.27 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1sh2 h LYS 363 CO -0.00 0.41 0.66 1.49 -0.57 0.00 0.00 179.45 181.44 1sh2 h GLU 364 N 0.54 1.28 0.00 3.15 4.81 -0.45 -0.40 114.58 123.52 1sh2 h GLU 364 Ca 0.14 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1sh2 h GLU 364 Cb 0.05 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.14 1sh2 h GLU 364 CO -0.02 0.85 0.00 0.66 -0.73 0.00 0.00 179.01 179.77 1sh2 n TYR 365 N -4.41 0.00 -0.39 0.92 4.01 -0.87 0.17 117.16 116.59 1sh2 n TYR 365 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1sh2 n TYR 365 Cb 0.04 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1sh2 n TYR 365 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sh2 n GLY 366 N 0.11 0.70 3.78 2.72 0.00 -0.16 -4.10 105.19 108.23 1sh2 n GLY 366 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1sh2 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh2 s LEU 367 N 0.00 3.33 -0.56 0.99 1.43 -0.79 -4.83 118.68 118.24 1sh2 s LEU 367 Ca 0.00 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.07 1sh2 s LEU 367 Cb 0.00 -4.54 0.29 0.00 0.03 0.00 0.00 46.19 41.97 1sh2 s LEU 367 CO 0.00 -1.60 0.79 0.29 0.23 0.00 0.00 176.35 176.06 1sh2 n LYS 368 N -2.58 2.42 -2.35 1.70 4.76 -1.26 -3.83 118.16 117.01 1sh2 n LYS 368 Ca 0.10 -4.45 -0.38 0.00 -2.87 0.00 0.00 58.31 50.71 1sh2 n LYS 368 Cb 0.52 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.61 1sh2 n LYS 368 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1sh2 s PRO 369 N -2.67 4.17 0.06 1.97 0.04 -1.26 -1.51 135.00 135.80 1sh2 s PRO 369 Ca 0.43 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1sh2 s PRO 369 Cb 0.22 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1sh2 s PRO 369 CO -0.07 -0.21 -0.04 0.95 0.04 0.00 0.00 177.00 177.67 1sh2 s THR 370 N -1.40 0.34 0.05 1.26 -4.23 -0.19 -4.94 115.64 106.53 1sh2 s THR 370 Ca 0.55 -1.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.11 1sh2 s THR 370 Cb -0.30 -1.29 -0.07 0.00 1.34 0.00 0.00 72.50 72.18 1sh2 s THR 370 CO 0.38 -0.84 1.42 -0.13 -0.54 0.00 0.00 174.62 174.91 1sh2 s ARG 371 N -3.33 4.29 0.40 3.99 0.52 -1.26 -0.87 118.95 122.68 1sh2 s ARG 371 Ca 0.03 2.04 0.08 0.00 -0.52 0.00 0.00 55.73 57.36 1sh2 s ARG 371 Cb 0.03 -3.47 0.84 0.00 0.52 0.00 0.00 34.95 32.87 1sh2 s ARG 371 CO -0.07 -0.54 2.01 -1.00 0.02 0.00 0.00 175.30 175.72 1sh2 h PRO 372 N 7.55 0.43 0.00 3.54 0.13 -1.92 -3.22 132.00 138.50 1sh2 h PRO 372 Ca -0.40 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1sh2 h PRO 372 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1sh2 h PRO 372 CO 0.89 0.36 -0.46 -0.40 -0.23 0.00 0.00 178.00 178.16 1sh2 n ASP 373 N -4.41 1.08 -0.07 1.44 5.75 -1.26 -4.82 116.55 114.27 1sh2 n ASP 373 Ca 0.01 0.18 -0.11 0.00 -0.01 0.00 0.00 54.79 54.86 1sh2 n ASP 373 Cb 0.13 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.71 1sh2 n ASP 373 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1sh2 h LYS 374 N -0.46 0.78 -3.75 0.11 1.79 -2.00 -3.50 116.57 109.54 1sh2 h LYS 374 Ca 0.00 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1sh2 h LYS 374 Cb 0.46 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1sh2 h LYS 374 CO 0.00 1.05 -0.85 0.25 -1.08 0.00 0.00 179.45 178.83 1sh2 n THR 375 N -4.03 -4.72 -1.20 -0.16 -2.24 -1.22 -5.03 114.28 95.68 1sh2 n THR 375 Ca -0.02 2.17 0.00 0.00 -2.27 0.00 0.00 64.05 63.93 1sh2 n THR 375 Cb 0.56 -3.02 0.00 0.00 -2.10 0.00 0.00 70.33 65.76 1sh2 n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sh2 n GLU 376 N -1.02 -2.00 0.00 -0.78 4.71 -1.26 -4.94 120.64 115.34 1sh2 n GLU 376 Ca 0.00 1.75 0.00 0.00 -0.01 0.00 0.00 57.16 58.90 1sh2 n GLU 376 Cb 0.03 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.76 1sh2 n GLU 376 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1sh2 n GLY 377 N 0.69 1.33 3.77 0.62 0.00 -1.26 -4.98 105.19 105.35 1sh2 n GLY 377 Ca 0.00 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 1sh2 n GLY 377 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh2 s PRO 378 N -1.35 2.20 0.61 1.61 0.02 -1.26 -4.67 135.00 132.15 1sh2 s PRO 378 Ca 0.00 1.11 -0.18 0.00 0.02 0.00 0.00 61.00 61.94 1sh2 s PRO 378 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 1sh2 s PRO 378 CO 0.00 -1.67 1.21 -0.48 -0.33 0.00 0.00 177.00 175.74 1sh2 s LEU 379 N -5.92 3.62 -0.19 -5.54 -0.00 -1.26 -4.86 118.68 104.52 1sh2 s LEU 379 Ca 0.61 2.40 -0.17 0.00 -0.00 0.00 0.00 54.13 56.98 1sh2 s LEU 379 Cb -0.17 -4.60 -0.04 0.00 -0.00 0.00 0.00 46.19 41.38 1sh2 s LEU 379 CO 0.56 -1.70 0.43 -0.69 -0.00 0.00 0.00 176.35 174.95 1sh2 s VAL 380 N -1.63 5.18 -0.29 1.48 1.01 -1.26 -4.80 120.40 120.09 1sh2 s VAL 380 Ca 0.77 0.78 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 1sh2 s VAL 380 Cb -0.31 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1sh2 s VAL 380 CO 0.35 0.24 0.21 -0.63 0.00 0.00 0.00 175.10 175.27 1sh2 s ILE 381 N 1.32 5.30 0.16 2.22 1.01 -1.26 -4.49 121.20 125.46 1sh2 s ILE 381 Ca 0.21 0.14 0.05 0.00 0.00 0.00 0.00 60.65 61.05 1sh2 s ILE 381 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1sh2 s ILE 381 CO 0.08 0.21 0.11 -0.55 0.00 0.00 0.00 174.94 174.79 1sh2 s SER 382 N 1.75 5.39 0.00 3.58 0.15 0.49 -4.91 113.70 120.14 1sh2 s SER 382 Ca 0.07 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 56.81 1sh2 s SER 382 Cb -0.16 -1.37 0.61 0.00 -1.71 0.00 0.00 66.02 63.39 1sh2 s SER 382 CO 0.11 0.08 1.49 -0.62 1.20 0.00 0.00 173.24 175.50 1sh2 n GLU 383 N -0.25 1.85 -5.22 5.44 1.02 -1.26 -1.10 120.64 121.12 1sh2 n GLU 383 Ca -0.09 -1.33 -0.31 0.00 -0.02 0.00 0.00 57.16 55.42 1sh2 n GLU 383 Cb 0.55 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.33 1sh2 n GLU 383 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sh2 s ASP 384 N -2.07 2.99 0.07 1.62 -1.08 -1.26 -4.87 116.67 112.07 1sh2 s ASP 384 Ca 0.32 -0.50 0.05 0.00 -0.52 0.00 0.00 52.55 51.89 1sh2 s ASP 384 Cb 0.20 -0.89 -0.23 0.00 -1.46 0.00 0.00 42.92 40.54 1sh2 s ASP 384 CO 0.35 0.23 1.10 0.25 0.52 0.00 0.00 175.17 177.62 1sh2 h LEU 385 N 6.16 0.11 -9.24 -1.34 5.85 -1.94 -3.46 115.31 111.45 1sh2 h LEU 385 Ca -0.30 -0.14 -0.69 0.00 0.84 0.00 0.00 57.88 57.59 1sh2 h LEU 385 Cb 1.18 -0.04 0.04 0.00 0.37 0.00 0.00 40.66 42.21 1sh2 h LEU 385 CO 0.47 1.11 0.70 0.59 -0.34 0.00 0.00 178.44 180.97 1sh2 n ASN 386 N -3.34 2.18 0.00 1.25 3.02 -1.26 -1.91 115.26 115.20 1sh2 n ASN 386 Ca -0.06 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1sh2 n ASN 386 Cb 0.98 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1sh2 n ASN 386 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sh2 n GLY 387 N 3.38 1.49 3.84 7.41 0.00 -0.83 -5.03 105.19 115.45 1sh2 n GLY 387 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1sh2 n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh2 s LEU 388 N 0.00 3.65 -0.03 0.99 1.02 -0.80 -4.78 118.68 118.72 1sh2 s LEU 388 Ca 0.00 1.61 0.06 0.00 0.02 0.00 0.00 54.13 55.82 1sh2 s LEU 388 Cb 0.00 -4.52 -0.01 0.00 0.02 0.00 0.00 46.19 41.68 1sh2 s LEU 388 CO 0.00 -0.62 -0.21 0.42 0.02 0.00 0.00 176.35 175.95 1sh2 s THR 389 N -2.55 1.70 -0.14 5.49 -4.23 -1.26 0.24 115.64 114.89 1sh2 s THR 389 Ca 0.60 -0.90 -0.07 0.00 -1.18 0.00 0.00 61.69 60.14 1sh2 s THR 389 Cb -0.11 -1.43 0.06 0.00 1.34 0.00 0.00 72.50 72.37 1sh2 s THR 389 CO 0.30 0.48 0.32 0.12 -0.54 0.00 0.00 174.62 175.30 1sh2 s PHE 390 N -0.32 -0.49 -1.50 3.99 5.36 -0.33 -4.81 117.98 119.88 1sh2 s PHE 390 Ca 0.03 1.07 -0.11 0.00 -0.96 0.00 0.00 56.93 56.96 1sh2 s PHE 390 Cb -0.10 0.13 0.07 0.00 -0.34 0.00 0.00 43.02 42.78 1sh2 s PHE 390 CO 0.01 -0.32 0.92 1.28 -1.46 0.00 0.00 175.22 175.64 1sh2 n LEU 391 N 4.60 -2.61 -0.73 6.12 4.77 -1.26 -1.35 117.00 126.54 1sh2 n LEU 391 Ca -0.19 -0.80 -0.09 0.00 -0.03 0.00 0.00 56.01 54.90 1sh2 n LEU 391 Cb 0.53 -2.55 -0.04 0.00 -2.33 0.00 0.00 43.42 39.02 1sh2 n LEU 391 CO 0.08 0.46 -0.09 0.54 -1.33 0.00 0.00 177.39 177.05 1sh2 n ARG 392 N -4.61 -1.08 -4.25 3.23 1.74 -1.26 -4.99 116.66 105.44 1sh2 n ARG 392 Ca -0.02 0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 57.49 1sh2 n ARG 392 Cb 0.55 -4.84 -0.09 0.00 -1.02 0.00 0.00 32.46 27.06 1sh2 n ARG 392 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1sh2 s ARG 393 N -2.59 3.22 -0.22 5.56 3.00 -0.45 -1.08 118.95 126.39 1sh2 s ARG 393 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 55.73 55.12 1sh2 s ARG 393 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 34.95 32.02 1sh2 s ARG 393 CO 0.00 0.63 0.81 0.99 0.00 0.00 0.00 175.30 177.74 1sh2 s THR 394 N -0.68 4.86 -0.14 0.02 2.01 0.48 -1.19 115.64 121.01 1sh2 s THR 394 Ca 0.11 1.55 -0.29 0.00 0.31 0.00 0.00 61.69 63.37 1sh2 s THR 394 Cb -0.12 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1sh2 s THR 394 CO 0.02 -0.03 1.52 -0.69 -0.69 0.00 0.00 174.62 174.75 1sh2 s VAL 395 N 2.58 3.84 0.02 3.82 1.01 0.14 -1.43 120.40 130.38 1sh2 s VAL 395 Ca 0.35 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.39 1sh2 s VAL 395 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1sh2 s VAL 395 CO 0.09 -0.16 -0.17 -0.89 0.00 0.00 0.00 175.10 173.97 1sh2 s THR 396 N 4.19 1.35 -0.13 3.92 2.01 -0.19 -1.96 115.64 124.83 1sh2 s THR 396 Ca 0.67 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1sh2 s THR 396 Cb -0.27 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 1sh2 s THR 396 CO 0.25 0.20 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.60 1sh2 s ARG 397 N -0.86 3.19 0.40 4.92 6.06 -1.26 -0.25 118.95 131.14 1sh2 s ARG 397 Ca 0.05 -0.79 0.03 0.00 -2.50 0.00 0.00 55.73 52.53 1sh2 s ARG 397 Cb -0.08 -2.49 -0.03 0.00 0.06 0.00 0.00 34.95 32.41 1sh2 s ARG 397 CO 0.01 0.12 0.10 0.16 -2.50 0.00 0.00 175.30 173.19 1sh2 s ASP 398 N 0.52 2.84 0.56 -2.12 1.47 -0.59 -4.99 116.67 114.36 1sh2 s ASP 398 Ca -0.12 -1.60 0.41 0.00 1.18 0.00 0.00 52.55 52.42 1sh2 s ASP 398 Cb -0.16 0.37 1.57 0.00 -0.34 0.00 0.00 42.92 44.36 1sh2 s ASP 398 CO 0.04 -0.85 1.67 -0.65 0.68 0.00 0.00 175.17 176.07 1sh2 h PRO 399 N 1.82 0.00 0.04 2.11 0.11 -2.05 -0.21 132.00 133.81 1sh2 h PRO 399 Ca -0.37 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 1sh2 h PRO 399 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1sh2 h PRO 399 CO 0.62 0.00 -1.21 0.00 -0.21 0.00 0.00 178.00 177.20 1sh2 h ALA 400 N 1.17 0.34 0.00 -0.75 0.00 -2.02 -3.50 119.26 114.51 1sh2 h ALA 400 Ca 0.69 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sh2 h ALA 400 Cb 2.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.70 1sh2 h ALA 400 CO -0.01 1.23 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1sh2 n GLY 401 N 1.45 -0.13 3.76 0.00 0.00 -0.09 -5.11 105.19 105.07 1sh2 n GLY 401 Ca -0.06 -1.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1sh2 n GLY 401 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sh2 s TRP 402 N -2.70 3.62 0.12 1.61 0.52 -1.26 -1.54 118.94 119.32 1sh2 s TRP 402 Ca 0.00 1.02 -0.08 0.00 0.02 0.00 0.00 56.10 57.06 1sh2 s TRP 402 Cb 0.00 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 29.80 1sh2 s TRP 402 CO 0.00 0.34 0.21 -0.59 0.02 0.00 0.00 176.95 176.93 1sh2 s PHE 403 N -0.03 0.33 -0.31 -1.98 -0.71 0.66 -3.57 117.98 112.36 1sh2 s PHE 403 Ca 0.27 -0.73 -0.15 0.00 -1.04 0.00 0.00 56.93 55.28 1sh2 s PHE 403 Cb -0.17 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.52 1sh2 s PHE 403 CO 0.13 -0.62 0.35 0.20 -1.34 0.00 0.00 175.22 173.94 1sh2 s GLY 404 N -2.93 1.90 -0.46 1.99 0.00 -1.26 -1.02 107.32 105.53 1sh2 s GLY 404 Ca 0.12 -1.07 -0.16 0.00 0.00 0.00 0.00 44.72 43.61 1sh2 s GLY 404 CO -0.05 0.95 0.40 1.25 0.00 0.00 0.00 173.10 175.65 1sh2 s LYS 405 N 2.01 2.99 0.22 2.90 2.20 -0.52 -4.88 119.74 124.66 1sh2 s LYS 405 Ca 0.12 -1.25 -0.32 0.00 -0.36 0.00 0.00 55.97 54.16 1sh2 s LYS 405 Cb -0.16 -4.10 -0.12 0.00 -1.51 0.00 0.00 37.83 31.93 1sh2 s LYS 405 CO 0.11 -0.99 1.69 -0.11 -0.36 0.00 0.00 175.35 175.69 1sh2 n LEU 406 N 5.27 3.98 -4.67 5.43 7.94 -1.26 -0.39 117.00 133.30 1sh2 n LEU 406 Ca -0.12 1.08 -0.38 0.00 -1.11 0.00 0.00 56.01 55.48 1sh2 n LEU 406 Cb 0.44 -1.57 0.05 0.00 0.53 0.00 0.00 43.42 42.88 1sh2 n LEU 406 CO 0.47 0.14 0.73 -0.62 -1.11 0.00 0.00 177.39 176.99 1sh2 n GLU 407 N 3.64 1.19 -0.14 1.96 1.02 -0.24 -4.88 120.64 123.19 1sh2 n GLU 407 Ca 0.15 0.45 -0.11 0.00 -0.02 0.00 0.00 57.16 57.63 1sh2 n GLU 407 Cb 0.35 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.42 1sh2 n GLU 407 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1sh2 h GLN 408 N 0.84 0.72 0.00 3.49 4.20 -1.91 -2.52 115.11 119.94 1sh2 h GLN 408 Ca -0.49 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 57.94 1sh2 h GLN 408 Cb 1.34 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 1sh2 h GLN 408 CO 0.53 0.83 -0.13 0.66 -0.67 0.00 0.00 178.83 180.06 1sh2 h SER 409 N 0.54 0.00 -0.24 1.46 4.64 -1.98 0.51 113.55 118.48 1sh2 h SER 409 Ca 0.11 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.26 1sh2 h SER 409 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1sh2 h SER 409 CO 0.03 0.13 -0.49 0.28 -0.87 0.00 0.00 176.83 175.91 1sh2 h SER 410 N 0.00 0.89 -0.03 4.97 0.02 -1.83 -1.74 113.55 115.84 1sh2 h SER 410 Ca -0.00 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1sh2 h SER 410 Cb 0.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1sh2 h SER 410 CO 0.02 1.23 -0.05 0.40 -1.14 0.00 0.00 176.83 177.28 1sh2 h ILE 411 N 0.64 1.44 -0.77 3.27 2.04 -1.15 -3.28 117.51 119.69 1sh2 h ILE 411 Ca 0.03 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.57 1sh2 h ILE 411 Cb 1.08 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 1sh2 h ILE 411 CO 0.11 0.37 0.51 -0.07 0.00 0.00 0.00 178.15 179.06 1sh2 h LEU 412 N -0.46 0.76 -0.34 1.44 3.38 -0.94 -2.07 115.31 117.07 1sh2 h LEU 412 Ca 0.00 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1sh2 h LEU 412 Cb 0.62 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1sh2 h LEU 412 CO 0.01 0.50 -0.03 0.03 0.09 0.00 0.00 178.44 179.04 1sh2 h ARG 413 N 0.87 0.06 0.00 1.13 3.08 -1.40 -2.63 114.38 115.48 1sh2 h ARG 413 Ca 0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1sh2 h ARG 413 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1sh2 h ARG 413 CO -0.11 0.04 0.00 1.96 -1.07 0.00 0.00 179.97 180.79 1sh2 h GLN 414 N 0.06 0.00 -0.29 0.04 4.20 -1.45 -2.66 115.11 115.02 1sh2 h GLN 414 Ca 0.17 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 1sh2 h GLN 414 Cb 0.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1sh2 h GLN 414 CO -0.31 0.00 -0.22 0.52 -0.67 0.00 0.00 178.83 178.16 1sh2 h MET 415 N 0.00 0.65 0.00 1.46 2.86 -1.09 -3.32 114.93 115.50 1sh2 h MET 415 Ca 0.00 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1sh2 h MET 415 Cb 0.66 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1sh2 h MET 415 CO 0.00 0.92 -0.61 1.88 1.06 0.00 0.00 176.91 180.16 1sh2 h TYR 416 N 0.39 0.00 -3.50 -0.22 0.05 -1.45 -3.44 116.97 108.81 1sh2 h TYR 416 Ca 0.05 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.26 1sh2 h TYR 416 Cb 0.76 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.18 1sh2 h TYR 416 CO 0.07 0.00 -0.84 -1.58 -1.05 0.00 0.00 178.16 174.76 1sh2 s TRP 417 N -3.30 1.83 0.16 4.88 0.52 -1.02 -1.36 118.94 120.65 1sh2 s TRP 417 Ca 0.02 -0.67 0.10 0.00 0.02 0.00 0.00 56.10 55.57 1sh2 s TRP 417 Cb 0.08 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 31.09 1sh2 s TRP 417 CO 0.74 -0.29 -0.18 -0.08 0.02 0.00 0.00 176.95 177.16 1sh2 s THR 418 N 0.44 2.77 -0.27 2.01 -1.32 0.11 -4.59 115.64 114.79 1sh2 s THR 418 Ca -0.14 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.45 1sh2 s THR 418 Cb -0.16 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1sh2 s THR 418 CO 0.05 -0.04 0.41 -0.13 -2.21 0.00 0.00 174.62 172.71 1sh2 s ARG 419 N -2.53 4.03 0.00 7.08 0.52 -1.26 -0.28 118.95 126.51 1sh2 s ARG 419 Ca 0.21 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1sh2 s ARG 419 Cb -0.09 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.72 1sh2 s ARG 419 CO 0.11 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.54 1sh2 n GLY 420 N 4.60 6.01 3.80 -3.53 0.00 0.17 -4.98 105.19 111.27 1sh2 n GLY 420 Ca -0.07 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1sh2 n GLY 420 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sh2 s PRO 421 N 1.38 2.88 0.33 1.61 0.02 -1.26 -4.67 135.00 135.29 1sh2 s PRO 421 Ca 0.00 1.11 -0.29 0.00 0.02 0.00 0.00 61.00 61.83 1sh2 s PRO 421 Cb 0.00 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 1sh2 s PRO 421 CO 0.00 -1.15 1.56 -0.80 -0.33 0.00 0.00 177.00 176.27 1sh2 s ASN 422 N -3.34 6.34 0.06 2.53 0.02 -1.26 -4.61 114.94 114.68 1sh2 s ASN 422 Ca 0.61 3.02 -0.14 0.00 -1.02 0.00 0.00 52.86 55.32 1sh2 s ASN 422 Cb -0.16 -2.65 0.02 0.00 0.02 0.00 0.00 41.25 38.48 1sh2 s ASN 422 CO 0.49 -0.91 0.32 -1.38 0.02 0.00 0.00 177.10 175.64 1sh2 s HIS 423 N -0.51 -0.11 0.20 2.20 -3.43 -0.59 -4.92 115.29 108.14 1sh2 s HIS 423 Ca 0.59 -0.07 0.09 0.00 -0.80 0.00 0.00 55.06 54.87 1sh2 s HIS 423 Cb -0.48 0.12 0.12 0.00 -1.43 0.00 0.00 32.58 30.91 1sh2 s HIS 423 CO 0.55 -0.54 1.47 0.93 -2.00 0.00 0.00 174.74 175.15 1sh2 h GLU 424 N 3.03 0.00 -4.69 -0.38 5.08 -1.87 -2.21 114.58 113.54 1sh2 h GLU 424 Ca -0.32 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.36 1sh2 h GLU 424 Cb 1.21 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 1sh2 h GLU 424 CO 0.47 0.78 -0.69 0.34 -1.00 0.00 0.00 179.01 178.91 1sh2 s ASP 425 N -6.78 4.87 0.38 1.42 2.15 -1.26 -4.72 116.67 112.74 1sh2 s ASP 425 Ca -0.00 -1.73 0.05 0.00 0.43 0.00 0.00 52.55 51.30 1sh2 s ASP 425 Cb 0.11 -1.69 0.76 0.00 -0.30 0.00 0.00 42.92 41.81 1sh2 s ASP 425 CO 0.79 -0.35 2.01 -0.65 -0.17 0.00 0.00 175.17 176.80 1sh2 h PRO 426 N 7.87 0.60 0.00 4.34 0.11 -1.84 -2.38 132.00 140.70 1sh2 h PRO 426 Ca -0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1sh2 h PRO 426 Cb 1.04 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1sh2 h PRO 426 CO 0.56 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 177.65 1sh2 n SER 427 N -4.43 0.00 -4.73 -2.05 3.41 -1.26 -3.01 113.62 101.55 1sh2 n SER 427 Ca 0.03 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 1sh2 n SER 427 Cb 0.09 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1sh2 n SER 427 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sh2 s GLU 428 N -2.39 4.32 0.47 4.33 2.02 -0.90 -4.78 118.70 121.77 1sh2 s GLU 428 Ca 0.14 2.17 -0.05 0.00 0.02 0.00 0.00 54.97 57.25 1sh2 s GLU 428 Cb 0.08 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1sh2 s GLU 428 CO 0.17 -0.38 0.77 0.95 0.02 0.00 0.00 175.26 176.80 1sh2 s THR 429 N 0.37 4.91 -0.10 3.63 -4.23 -1.26 -2.30 115.64 116.66 1sh2 s THR 429 Ca 0.60 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 1sh2 s THR 429 Cb -0.39 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.64 1sh2 s THR 429 CO 0.38 -0.81 0.23 -0.32 -0.54 0.00 0.00 174.62 173.55 1sh2 s MET 430 N -4.65 0.17 0.70 3.99 1.75 -0.95 -4.92 119.30 115.40 1sh2 s MET 430 Ca 0.47 0.54 -0.16 0.00 -1.25 0.00 0.00 55.69 55.29 1sh2 s MET 430 Cb -0.10 -0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.46 1sh2 s MET 430 CO 0.43 -0.19 1.26 0.96 -0.65 0.00 0.00 175.02 176.83 1sh2 s ILE 431 N 1.51 2.07 0.25 10.11 -5.25 -1.26 -4.68 121.20 123.93 1sh2 s ILE 431 Ca -0.07 0.04 -0.31 0.00 -0.99 0.00 0.00 60.65 59.32 1sh2 s ILE 431 Cb -0.11 -2.80 -0.11 0.00 2.95 0.00 0.00 42.46 42.39 1sh2 s ILE 431 CO -0.08 -0.01 1.59 -2.16 -1.79 0.00 0.00 174.94 172.49 1sh2 s PRO 432 N -3.66 4.16 1.13 0.37 0.04 -1.26 -5.02 135.00 130.76 1sh2 s PRO 432 Ca 0.79 2.50 -0.18 0.00 0.04 0.00 0.00 61.00 64.15 1sh2 s PRO 432 Cb -0.34 -3.07 0.26 0.00 0.04 0.00 0.00 34.50 31.39 1sh2 s PRO 432 CO 0.43 -0.62 1.18 -1.58 0.04 0.00 0.00 177.00 176.45 1sh2 s HIS 433 N 0.44 0.80 0.43 0.56 2.46 -1.26 -4.88 115.29 113.84 1sh2 s HIS 433 Ca 0.66 0.43 0.40 0.00 0.47 0.00 0.00 55.06 57.03 1sh2 s HIS 433 Cb -0.47 -3.66 2.01 0.00 -0.13 0.00 0.00 32.58 30.34 1sh2 s HIS 433 CO 0.41 -3.52 2.21 0.66 -2.47 0.00 0.00 174.74 172.03 1sh2 h SER 434 N -2.31 0.00 0.23 9.88 4.64 -2.03 -2.82 113.55 121.14 1sh2 h SER 434 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1sh2 h SER 434 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1sh2 h SER 434 CO 0.35 0.00 -1.41 0.00 -0.87 0.00 0.00 176.83 174.90 1sh2 n GLN 435 N -3.06 0.41 -0.09 4.77 1.13 -1.26 -4.54 117.38 114.73 1sh2 n GLN 435 Ca -0.02 -0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 54.86 1sh2 n GLN 435 Cb 0.16 -1.57 -0.04 0.00 0.11 0.00 0.00 30.24 28.90 1sh2 n GLN 435 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1sh2 h ARG 436 N 0.00 0.48 -0.17 -1.09 9.65 -1.84 0.48 114.38 121.90 1sh2 h ARG 436 Ca 0.00 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.69 1sh2 h ARG 436 Cb 0.82 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 1sh2 h ARG 436 CO 0.00 0.63 -0.10 -1.35 2.80 0.00 0.00 179.97 181.95 1sh2 h PRO 437 N 0.28 0.26 -0.55 0.20 0.11 -1.81 0.35 132.00 130.83 1sh2 h PRO 437 Ca 0.08 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 1sh2 h PRO 437 Cb 0.40 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1sh2 h PRO 437 CO 0.01 0.37 0.04 0.82 -0.21 0.00 0.00 178.00 179.04 1sh2 h ILE 438 N 0.25 1.26 -0.51 4.15 2.04 -1.73 -1.16 117.51 121.81 1sh2 h ILE 438 Ca 0.05 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.75 1sh2 h ILE 438 Cb 0.34 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1sh2 h ILE 438 CO 0.02 0.37 -0.14 -0.61 0.00 0.00 0.00 178.15 177.79 1sh2 h GLN 439 N 0.82 0.98 -0.24 2.37 4.15 -0.18 -2.73 115.11 120.28 1sh2 h GLN 439 Ca 0.16 -0.38 -0.07 0.00 0.77 0.00 0.00 58.65 59.13 1sh2 h GLN 439 Cb 0.47 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1sh2 h GLN 439 CO 0.02 1.05 -0.17 -0.07 -1.93 0.00 0.00 178.83 177.72 1sh2 h LEU 440 N 0.86 0.40 -0.60 -2.39 4.07 -0.23 -2.33 115.31 115.09 1sh2 h LEU 440 Ca 0.13 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 57.83 1sh2 h LEU 440 Cb 0.70 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1sh2 h LEU 440 CO 0.05 0.60 -0.55 -0.03 -1.08 0.00 0.00 178.44 177.44 1sh2 h MET 441 N 0.38 0.43 -0.53 1.13 4.05 -1.13 -2.52 114.93 116.73 1sh2 h MET 441 Ca 0.07 -0.27 -0.09 0.00 -0.28 0.00 0.00 59.70 59.12 1sh2 h MET 441 Cb 0.53 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1sh2 h MET 441 CO 0.03 0.87 -0.03 0.66 0.23 0.00 0.00 176.91 178.67 1sh2 h SER 442 N 0.33 0.96 -0.09 1.39 4.64 -1.25 -2.12 113.55 117.41 1sh2 h SER 442 Ca 0.01 -0.32 -0.11 0.00 -0.47 0.00 0.00 61.79 60.89 1sh2 h SER 442 Cb 1.07 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1sh2 h SER 442 CO 0.10 1.05 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.74 1sh2 h LEU 443 N 0.84 0.57 -0.21 5.97 3.38 -1.40 -1.78 115.31 122.68 1sh2 h LEU 443 Ca 0.15 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1sh2 h LEU 443 Cb 0.58 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1sh2 h LEU 443 CO 0.03 0.84 0.05 -0.07 0.09 0.00 0.00 178.44 179.39 1sh2 h LEU 444 N 0.48 0.04 -0.49 1.67 3.38 -1.34 0.25 115.31 119.30 1sh2 h LEU 444 Ca 0.06 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1sh2 h LEU 444 Cb 0.75 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 1sh2 h LEU 444 CO 0.06 0.05 -0.28 1.23 0.09 0.00 0.00 178.44 179.59 1sh2 h GLY 445 N 0.14 -0.03 0.68 0.83 0.00 -1.07 0.71 103.07 104.33 1sh2 h GLY 445 Ca 0.09 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.82 1sh2 h GLY 445 CO -0.11 -0.21 -0.00 0.83 0.00 0.00 0.00 176.54 177.04 1sh2 h GLU 446 N -0.16 0.06 -0.08 4.80 4.39 -0.86 -2.17 114.58 120.55 1sh2 h GLU 446 Ca 0.22 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.94 1sh2 h GLU 446 Cb 0.51 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1sh2 h GLU 446 CO -0.59 0.04 0.09 0.00 -1.16 0.00 0.00 179.01 177.39 1sh2 h ALA 447 N 1.18 1.71 0.00 3.43 0.00 0.19 -2.81 119.26 122.96 1sh2 h ALA 447 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1sh2 h ALA 447 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sh2 h ALA 447 CO -0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 179.25 178.88 1sh2 h ALA 448 N 1.90 1.16 -0.35 0.00 0.00 -0.19 -1.96 119.26 119.82 1sh2 h ALA 448 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1sh2 h ALA 448 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sh2 h ALA 448 CO -0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1sh2 n LEU 449 N -3.40 2.02 -0.31 0.00 4.77 -1.06 -3.96 117.00 115.07 1sh2 n LEU 449 Ca -0.02 -1.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.02 1sh2 n LEU 449 Cb 0.22 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1sh2 n LEU 449 CO 0.27 0.47 0.25 1.41 -1.33 0.00 0.00 177.39 178.46 1sh2 n HIS 450 N 0.52 0.00 0.00 -1.77 8.25 -0.74 -5.01 115.22 116.48 1sh2 n HIS 450 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1sh2 n HIS 450 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1sh2 n HIS 450 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sh2 n GLY 451 N 1.01 -0.91 0.31 -1.41 0.00 -1.25 -4.69 105.19 98.25 1sh2 n GLY 451 Ca 0.06 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 1sh2 n GLY 451 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sh2 h PRO 452 N 0.00 0.91 -0.25 1.61 0.11 -1.93 -2.57 132.00 129.87 1sh2 h PRO 452 Ca 0.00 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1sh2 h PRO 452 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1sh2 h PRO 452 CO 0.00 0.80 0.09 0.00 -0.21 0.00 0.00 178.00 178.68 1sh2 h ALA 453 N 1.30 0.33 -0.59 -0.75 0.00 -1.99 0.08 119.26 117.63 1sh2 h ALA 453 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1sh2 h ALA 453 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1sh2 h ALA 453 CO -0.00 -0.06 -0.02 0.35 0.00 0.00 0.00 179.25 179.52 1sh2 h PHE 454 N 0.25 1.15 -0.67 0.00 3.57 -1.81 -1.77 116.94 117.65 1sh2 h PHE 454 Ca 0.08 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1sh2 h PHE 454 Cb 0.21 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1sh2 h PHE 454 CO -0.00 1.02 0.26 -0.92 -2.23 0.00 0.00 178.31 176.44 1sh2 h TYR 455 N 0.96 1.04 -0.55 0.41 3.20 -1.23 -0.17 116.97 120.63 1sh2 h TYR 455 Ca 0.17 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1sh2 h TYR 455 Cb 0.58 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1sh2 h TYR 455 CO 0.04 0.81 0.32 1.03 -1.64 0.00 0.00 178.16 178.72 1sh2 h SER 456 N 0.96 0.65 -0.18 -2.11 0.87 -0.91 0.35 113.55 113.18 1sh2 h SER 456 Ca 0.22 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1sh2 h SER 456 Cb 0.22 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1sh2 h SER 456 CO -0.02 0.51 -0.10 0.50 -0.53 0.00 0.00 176.83 177.19 1sh2 h LYS 457 N 0.75 0.39 -0.06 2.24 3.64 -0.38 -1.83 116.57 121.32 1sh2 h LYS 457 Ca 0.20 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1sh2 h LYS 457 Cb -0.02 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1sh2 h LYS 457 CO -0.04 0.70 -0.66 0.82 -2.27 0.00 0.00 179.45 178.01 1sh2 h ILE 458 N 0.07 1.40 -0.49 2.00 1.08 -0.95 -2.82 117.51 117.79 1sh2 h ILE 458 Ca 0.04 -2.08 -0.05 0.00 -0.39 0.00 0.00 64.86 62.37 1sh2 h ILE 458 Cb 0.59 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 1sh2 h ILE 458 CO 0.03 0.62 0.10 0.28 -0.69 0.00 0.00 178.15 178.49 1sh2 h SER 459 N 0.19 0.75 0.43 1.72 0.02 -0.92 -1.82 113.55 113.92 1sh2 h SER 459 Ca -0.01 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1sh2 h SER 459 Cb 1.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1sh2 h SER 459 CO 0.10 0.80 -0.25 0.11 -1.14 0.00 0.00 176.83 176.46 1sh2 h LYS 460 N 0.67 0.00 0.20 3.45 6.56 -1.27 -2.12 116.57 124.06 1sh2 h LYS 460 Ca 0.15 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.41 1sh2 h LYS 460 Cb 0.35 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.03 1sh2 h LYS 460 CO 0.00 0.25 -1.58 -0.07 -2.06 0.00 0.00 179.45 176.00 1sh2 h LEU 461 N 0.00 0.68 -0.45 2.94 3.38 -1.37 -3.02 115.31 117.47 1sh2 h LEU 461 Ca -0.00 -0.84 0.03 0.00 0.09 0.00 0.00 57.88 57.15 1sh2 h LEU 461 Cb 0.53 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1sh2 h LEU 461 CO 0.03 1.68 0.25 0.58 0.09 0.00 0.00 178.44 181.07 1sh2 h VAL 462 N 0.12 1.01 -0.61 1.22 2.07 -1.17 -0.12 116.25 118.76 1sh2 h VAL 462 Ca -0.28 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1sh2 h VAL 462 Cb 2.11 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1sh2 h VAL 462 CO 0.22 0.09 0.08 0.40 0.02 0.00 0.00 177.57 178.38 1sh2 h ILE 463 N 0.49 1.26 0.00 4.57 2.04 -1.50 -2.37 117.51 122.00 1sh2 h ILE 463 Ca 0.19 -1.03 -0.16 0.00 1.00 0.00 0.00 64.86 64.86 1sh2 h ILE 463 Cb 0.06 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1sh2 h ILE 463 CO -0.11 0.38 -0.76 0.00 0.00 0.00 0.00 178.15 177.67 1sh2 h ALA 464 N 1.02 0.61 0.32 1.87 0.00 -1.38 -0.39 119.26 121.30 1sh2 h ALA 464 Ca 0.18 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1sh2 h ALA 464 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sh2 h ALA 464 CO 0.02 0.95 -0.15 1.49 0.00 0.00 0.00 179.25 181.55 1sh2 h GLU 465 N 0.00 -0.41 -0.20 0.00 4.81 -1.01 -3.09 114.58 114.67 1sh2 h GLU 465 Ca -0.01 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1sh2 h GLU 465 Cb 1.47 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 1sh2 h GLU 465 CO 0.10 -0.08 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.11 1sh2 h LEU 466 N -0.86 0.32 -0.42 1.64 3.38 -1.44 -2.12 115.31 115.82 1sh2 h LEU 466 Ca -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1sh2 h LEU 466 Cb 0.52 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1sh2 h LEU 466 CO 0.07 0.47 0.18 0.50 0.09 0.00 0.00 178.44 179.76 1sh2 h LYS 467 N 0.31 0.61 -0.79 1.13 1.63 -0.25 0.10 116.57 119.32 1sh2 h LYS 467 Ca 0.06 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 59.84 1sh2 h LYS 467 Cb 0.42 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 1sh2 h LYS 467 CO 0.02 0.56 0.52 0.93 -3.45 0.00 0.00 179.45 178.03 1sh2 h GLU 468 N 0.53 0.77 0.00 1.90 5.08 -1.38 0.11 114.58 121.58 1sh2 h GLU 468 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sh2 h GLU 468 Cb 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1sh2 h GLU 468 CO -0.01 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.91 1sh2 n GLY 469 N -1.44 -1.32 0.00 -3.84 0.00 -0.59 -4.93 105.19 93.07 1sh2 n GLY 469 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1sh2 n GLY 469 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh2 n GLY 470 N 0.55 1.10 3.86 -0.02 0.00 0.15 -4.94 105.19 105.89 1sh2 n GLY 470 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1sh2 n GLY 470 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sh2 s MET 471 N -0.00 3.79 -0.43 1.61 -2.45 -0.03 -4.86 119.30 116.92 1sh2 s MET 471 Ca 0.00 0.24 -0.14 0.00 -1.25 0.00 0.00 55.69 54.54 1sh2 s MET 471 Cb 0.00 -3.13 0.06 0.00 1.25 0.00 0.00 34.83 33.01 1sh2 s MET 471 CO 0.00 0.65 0.32 0.16 1.05 0.00 0.00 175.02 177.21 1sh2 s ASP 472 N -1.35 5.99 0.68 1.11 -4.77 -1.26 -1.79 116.67 115.27 1sh2 s ASP 472 Ca 0.26 -1.22 -0.16 0.00 -3.30 0.00 0.00 52.55 48.14 1sh2 s ASP 472 Cb -0.15 -2.12 0.01 0.00 -1.09 0.00 0.00 42.92 39.57 1sh2 s ASP 472 CO 0.14 -0.55 1.17 0.12 0.70 0.00 0.00 175.17 176.75 1sh2 s PHE 473 N 1.60 2.33 -0.95 2.11 5.36 -1.26 -4.98 117.98 122.19 1sh2 s PHE 473 Ca 0.04 1.57 -0.12 0.00 -0.96 0.00 0.00 56.93 57.46 1sh2 s PHE 473 Cb -0.22 -3.36 0.24 0.00 -0.34 0.00 0.00 43.02 39.35 1sh2 s PHE 473 CO 0.07 -2.17 0.92 1.52 -1.46 0.00 0.00 175.22 174.09 1sh2 s TYR 474 N -2.04 3.99 -0.21 10.12 -0.85 -1.26 -5.03 117.35 122.07 1sh2 s TYR 474 Ca 0.72 -2.30 -0.25 0.00 -0.52 0.00 0.00 57.07 54.72 1sh2 s TYR 474 Cb -0.26 -3.83 -0.01 0.00 0.38 0.00 0.00 41.96 38.24 1sh2 s TYR 474 CO 0.41 -0.98 0.84 0.08 -1.52 0.00 0.00 175.55 174.39 1sh2 s VAL 475 N -0.45 4.85 0.38 -3.49 1.01 -1.26 -5.04 120.40 116.40 1sh2 s VAL 475 Ca 0.24 1.62 -0.27 0.00 0.00 0.00 0.00 61.98 63.57 1sh2 s VAL 475 Cb -0.10 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1sh2 s VAL 475 CO -0.09 -0.03 1.30 -2.84 0.00 0.00 0.00 175.10 173.44 1sh2 s PRO 476 N 2.53 4.13 0.80 2.72 0.02 -1.26 -5.02 135.00 138.92 1sh2 s PRO 476 Ca 0.37 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.43 1sh2 s PRO 476 Cb -0.16 -2.87 0.08 0.00 0.02 0.00 0.00 34.50 31.57 1sh2 s PRO 476 CO 0.10 -0.36 1.15 1.03 -0.33 0.00 0.00 177.00 178.58 1sh2 s ARG 477 N -2.07 1.79 0.12 5.54 0.52 -1.26 -4.88 118.95 118.71 1sh2 s ARG 477 Ca 0.54 1.51 -0.23 0.00 -0.52 0.00 0.00 55.73 57.02 1sh2 s ARG 477 Cb -0.38 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.22 1sh2 s ARG 477 CO 0.50 -2.05 1.67 0.37 0.02 0.00 0.00 175.30 175.81 1sh2 h GLN 478 N -1.07 -0.22 0.05 3.54 4.15 -1.97 -3.02 115.11 116.57 1sh2 h GLN 478 Ca -0.45 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.01 1sh2 h GLN 478 Cb 1.27 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.97 1sh2 h GLN 478 CO 0.47 -0.15 -0.23 1.49 -1.93 0.00 0.00 178.83 178.48 1sh2 h GLU 479 N -0.23 -0.38 -0.71 1.69 4.81 -1.94 0.39 114.58 118.21 1sh2 h GLU 479 Ca 0.07 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.47 1sh2 h GLU 479 Cb 0.32 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 29.69 1sh2 h GLU 479 CO -0.19 -0.25 0.20 -1.35 -0.73 0.00 0.00 179.01 176.69 1sh2 h PRO 480 N -0.40 0.30 -0.37 0.92 0.11 -1.87 0.15 132.00 130.84 1sh2 h PRO 480 Ca 0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 1sh2 h PRO 480 Cb 0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1sh2 h PRO 480 CO -0.17 0.20 0.08 1.98 -0.21 0.00 0.00 178.00 179.88 1sh2 h MET 481 N 0.31 0.60 -0.49 1.05 1.85 -1.27 -2.62 114.93 114.37 1sh2 h MET 481 Ca 0.39 -0.15 0.07 0.00 -0.61 0.00 0.00 59.70 59.40 1sh2 h MET 481 Cb 0.63 -0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.53 1sh2 h MET 481 CO -0.46 0.64 0.17 0.35 -0.40 0.00 0.00 176.91 177.22 1sh2 h PHE 482 N 0.46 0.30 -0.26 1.39 3.57 0.65 -0.82 116.94 122.24 1sh2 h PHE 482 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1sh2 h PHE 482 Cb 0.32 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1sh2 h PHE 482 CO 0.02 0.10 0.13 0.00 -2.23 0.00 0.00 178.31 176.33 1sh2 h ARG 483 N 0.35 0.27 -0.39 1.11 2.47 -0.57 -0.66 114.38 116.96 1sh2 h ARG 483 Ca 0.23 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1sh2 h ARG 483 Cb 0.24 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 1sh2 h ARG 483 CO -0.24 0.18 -0.15 2.35 0.56 0.00 0.00 179.97 182.67 1sh2 h TRP 484 N 0.28 0.79 -0.11 3.04 2.91 -1.03 0.21 115.95 122.04 1sh2 h TRP 484 Ca 0.11 -0.15 -0.10 0.00 1.13 0.00 0.00 58.89 59.87 1sh2 h TRP 484 Cb 0.03 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.46 1sh2 h TRP 484 CO -0.09 0.82 -0.39 0.52 -1.03 0.00 0.00 178.44 178.27 1sh2 h MET 485 N 0.64 0.24 0.00 2.65 2.86 -0.74 -2.95 114.93 117.63 1sh2 h MET 485 Ca 0.10 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sh2 h MET 485 Cb 0.62 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1sh2 h MET 485 CO 0.04 0.60 -0.67 0.54 1.06 0.00 0.00 176.91 178.48 1sh2 n ARG 486 N -4.04 0.35 -0.60 1.72 5.12 -0.29 -4.68 116.66 114.23 1sh2 n ARG 486 Ca -0.01 0.14 0.09 0.00 -1.93 0.00 0.00 57.85 56.14 1sh2 n ARG 486 Cb 0.46 -1.12 0.35 0.00 -1.16 0.00 0.00 32.46 30.99 1sh2 n ARG 486 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1sh2 n PHE 487 N -3.82 1.45 -4.24 -1.55 3.72 0.70 -4.93 117.46 108.79 1sh2 n PHE 487 Ca -0.09 -0.58 -0.36 0.00 -0.05 0.00 0.00 57.45 56.37 1sh2 n PHE 487 Cb 0.35 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1sh2 n PHE 487 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sh2 n SER 488 N 1.10 -2.72 -4.68 4.37 7.64 -0.93 -4.91 113.62 113.48 1sh2 n SER 488 Ca 0.25 -1.05 -0.34 0.00 1.01 0.00 0.00 58.87 58.74 1sh2 n SER 488 Cb 0.87 -2.61 -0.09 0.00 -1.01 0.00 0.00 64.21 61.37 1sh2 n SER 488 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sh2 s ASP 489 N -3.42 5.18 0.00 6.43 2.15 -1.08 -4.88 116.67 121.05 1sh2 s ASP 489 Ca 0.66 0.07 0.12 0.00 0.43 0.00 0.00 52.55 53.83 1sh2 s ASP 489 Cb -0.36 -1.40 0.21 0.00 -0.30 0.00 0.00 42.92 41.06 1sh2 s ASP 489 CO 0.94 0.32 1.04 0.00 -0.17 0.00 0.00 175.17 177.31 1sh2 n LEU 490 N 1.73 0.37 0.28 -1.34 -0.00 -1.26 -2.04 117.00 114.73 1sh2 n LEU 490 Ca -0.16 -1.59 0.14 0.00 -0.00 0.00 0.00 56.01 54.40 1sh2 n LEU 490 Cb 0.53 0.00 0.82 0.00 -0.00 0.00 0.00 43.42 44.77 1sh2 n LEU 490 CO 0.31 0.57 1.04 0.77 -0.00 0.00 0.00 177.39 180.08 1sh2 h SER 491 N 0.48 0.00 -0.01 1.45 4.64 -1.96 -2.41 113.55 115.73 1sh2 h SER 491 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1sh2 h SER 491 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1sh2 h SER 491 CO 0.02 0.07 -0.60 1.07 -0.87 0.00 0.00 176.83 176.52 1sh2 n THR 492 N -3.68 0.00 -2.13 2.95 5.66 -1.26 -4.96 114.28 110.86 1sh2 n THR 492 Ca -0.02 -0.20 -0.43 0.00 -3.05 0.00 0.00 64.05 60.35 1sh2 n THR 492 Cb 0.18 1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 70.11 1sh2 n THR 492 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1sh2 s TRP 493 N -2.54 2.21 0.13 1.09 -0.11 -0.91 -4.82 118.94 113.99 1sh2 s TRP 493 Ca 0.15 0.47 -0.16 0.00 1.22 0.00 0.00 56.10 57.78 1sh2 s TRP 493 Cb 0.17 -3.83 -0.07 0.00 -1.50 0.00 0.00 33.47 28.24 1sh2 s TRP 493 CO 0.63 -3.13 0.57 -1.21 -4.62 0.00 0.00 176.95 169.19 1sh2 s GLU 494 N 4.06 4.06 2.53 5.86 0.41 -1.26 -4.95 118.70 129.40 1sh2 s GLU 494 Ca 0.68 0.58 0.00 0.00 -0.41 0.00 0.00 54.97 55.83 1sh2 s GLU 494 Cb -0.29 -3.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1sh2 s GLU 494 CO 0.26 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.95 1sh2 n GLY 495 N 1.03 -0.62 3.68 -1.39 0.00 -1.26 -4.82 105.19 101.81 1sh2 n GLY 495 Ca -0.06 -1.13 -0.49 0.00 0.00 0.00 0.00 46.02 44.34 1sh2 n GLY 495 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sh2 n ASP 496 N -0.65 3.32 0.20 1.61 -0.08 -1.26 -4.88 116.55 114.82 1sh2 n ASP 496 Ca 0.00 0.96 0.09 0.00 -1.51 0.00 0.00 54.79 54.33 1sh2 n ASP 496 Cb 0.00 -1.35 0.24 0.00 2.34 0.00 0.00 41.12 42.35 1sh2 n ASP 496 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1sh2 h ARG 497 N 9.16 0.00 0.00 -0.67 3.08 -1.92 -3.19 114.38 120.84 1sh2 h ARG 497 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1sh2 h ARG 497 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1sh2 h ARG 497 CO 0.95 0.21 0.00 0.09 -1.07 0.00 0.00 179.97 180.16 1sh2 n ASN 498 N -3.20 0.20 0.05 7.04 3.02 -1.26 -2.88 115.26 118.23 1sh2 n ASN 498 Ca 0.02 0.54 0.13 0.00 -0.03 0.00 0.00 54.58 55.24 1sh2 n ASN 498 Cb 0.55 -0.59 0.33 0.00 -0.61 0.00 0.00 39.78 39.46 1sh2 n ASN 498 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sh2 n LEU 499 N -1.71 0.57 -4.68 3.41 4.77 -1.20 -4.82 117.00 113.33 1sh2 n LEU 499 Ca 0.04 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.93 1sh2 n LEU 499 Cb 0.24 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1sh2 n LEU 499 CO 0.19 -0.05 1.50 0.00 -1.33 0.00 0.00 177.39 177.71 1sh2 s ALA 500 N -3.09 3.71 0.38 -1.18 0.00 -1.14 -4.91 121.76 115.53 1sh2 s ALA 500 Ca 0.10 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 1sh2 s ALA 500 Cb 0.15 -3.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1sh2 s ALA 500 CO 0.65 -1.32 1.31 -1.25 0.00 0.00 0.00 175.76 175.15 1sh2 s PRO 501 N 3.24 4.11 0.35 0.00 0.04 -1.26 -5.05 135.00 136.43 1sh2 s PRO 501 Ca 0.83 2.19 0.08 0.00 0.04 0.00 0.00 61.00 64.14 1sh2 s PRO 501 Cb -0.45 -2.87 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1sh2 s PRO 501 CO 0.38 -0.39 0.30 -1.54 0.04 0.00 0.00 177.00 175.78 1sh2 s SER 502 N -0.63 5.17 -0.07 6.66 1.04 -1.26 -5.01 113.70 119.60 1sh2 s SER 502 Ca 0.54 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 1sh2 s SER 502 Cb -0.39 -0.86 0.03 0.00 0.10 0.00 0.00 66.02 64.90 1sh2 s SER 502 CO 0.51 -0.41 -0.01 -0.36 0.98 0.00 0.00 173.24 173.94 1sh2 s PHE 503 N -2.36 0.75 0.65 5.02 0.08 -1.26 -4.97 117.98 115.89 1sh2 s PHE 503 Ca 0.42 -0.22 -0.14 0.00 0.12 0.00 0.00 56.93 57.11 1sh2 s PHE 503 Cb -0.05 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1sh2 s PHE 503 CO 0.26 -0.33 1.08 0.14 -0.10 0.00 0.00 175.22 176.27 1sh2 s VAL 504 N 1.86 3.56 0.00 -0.44 -7.23 -1.26 -4.99 120.40 111.91 1sh2 s VAL 504 Ca 0.04 0.68 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 1sh2 s VAL 504 Cb -0.12 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1sh2 s VAL 504 CO -0.05 -0.49 0.00 0.59 -0.31 0.00 0.00 175.10 174.84 1sh2 n ASN 505 N -2.45 0.00 -3.82 4.85 3.02 -1.26 -4.64 115.26 110.96 1sh2 n ASN 505 Ca 0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.51 1sh2 n ASN 505 Cb 0.53 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1sh2 n ASN 505 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1sh2 n GLU 506 N 0.00 -0.82 0.00 3.52 0.00 -1.19 -4.94 120.64 117.21 1sh2 n GLU 506 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 57.16 56.89 1sh2 n GLU 506 Cb 0.00 -0.04 0.53 0.00 0.00 0.00 0.00 31.44 31.93 1sh2 n GLU 506 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88