#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uai n PRO 3 N 0.00 2.06 -0.09 5.31 -0.04 -1.26 -4.95 135.00 136.03 1uai n PRO 3 Ca 0.00 -3.47 0.12 0.00 -0.04 0.00 0.00 63.50 60.11 1uai n PRO 3 Cb 0.00 -1.80 0.15 0.00 -0.04 0.00 0.00 33.50 31.82 1uai n PRO 3 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uai n ASP 5 N 1.43 1.85 -4.08 0.00 8.00 -1.26 -4.71 116.55 117.78 1uai n ASP 5 Ca 0.17 0.25 -0.19 0.00 0.71 0.00 0.00 54.79 55.73 1uai n ASP 5 Cb 0.61 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.89 1uai n ASP 5 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uai s TYR 6 N -2.57 1.00 0.47 1.24 2.02 -1.26 -4.70 117.35 113.55 1uai s TYR 6 Ca -0.18 -0.29 0.21 0.00 -0.37 0.00 0.00 57.07 56.44 1uai s TYR 6 Cb 0.07 -0.61 1.22 0.00 -0.40 0.00 0.00 41.96 42.24 1uai s TYR 6 CO 0.78 -0.00 1.92 -1.35 -1.57 0.00 0.00 175.55 175.33 1uai h PRO 7 N 5.31 0.23 0.00 -1.71 0.11 -1.88 0.13 132.00 134.19 1uai h PRO 7 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1uai h PRO 7 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1uai h PRO 7 CO 0.46 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 1uai n ALA 8 N -2.58 1.34 0.64 -0.75 0.00 -1.26 -1.09 120.51 116.81 1uai n ALA 8 Ca 0.15 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1uai n ALA 8 Cb 0.66 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 19.03 1uai n ALA 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uai n GLN 9 N -1.47 0.24 -0.09 0.00 6.02 0.44 -4.29 117.38 118.23 1uai n GLN 9 Ca 0.02 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1uai n GLN 9 Cb 0.08 -1.58 -0.14 0.00 1.02 0.00 0.00 30.24 29.62 1uai n GLN 9 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1uai n GLN 10 N -1.88 0.68 -4.19 -1.09 1.13 -0.25 -4.86 117.38 106.93 1uai n GLN 10 Ca 0.02 0.11 -0.15 0.00 -1.94 0.00 0.00 57.00 55.05 1uai n GLN 10 Cb 0.42 -1.58 -0.11 0.00 0.11 0.00 0.00 30.24 29.08 1uai n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1uai s LEU 11 N -6.00 2.42 -0.73 1.08 1.43 -0.94 -4.96 118.68 110.99 1uai s LEU 11 Ca -0.17 -0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 51.85 1uai s LEU 11 Cb 0.07 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 46.02 1uai s LEU 11 CO 0.76 -0.26 1.16 -0.62 0.23 0.00 0.00 176.35 177.62 1uai s ASP 12 N -2.52 6.19 -0.08 2.29 -1.08 -1.26 -4.46 116.67 115.75 1uai s ASP 12 Ca 0.07 -0.76 0.13 0.00 -0.52 0.00 0.00 52.55 51.47 1uai s ASP 12 Cb -0.02 -2.50 0.52 0.00 -1.46 0.00 0.00 42.92 39.46 1uai s ASP 12 CO 0.00 -1.64 1.38 0.18 0.52 0.00 0.00 175.17 175.61 1uai n LEU 13 N 8.61 3.54 -0.13 -1.34 4.77 -1.26 -4.56 117.00 126.62 1uai n LEU 13 Ca 0.02 -1.78 -0.04 0.00 -0.03 0.00 0.00 56.01 54.18 1uai n LEU 13 Cb 0.48 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1uai n LEU 13 CO 0.67 0.61 0.75 0.74 -1.33 0.00 0.00 177.39 178.83 1uai h THR 14 N 2.94 0.47 -2.03 -5.08 2.02 -1.94 -2.71 112.91 106.59 1uai h THR 14 Ca 0.00 0.00 -0.77 0.00 0.77 0.00 0.00 66.41 66.41 1uai h THR 14 Cb 1.10 0.47 -0.28 0.00 -1.74 0.00 0.00 68.15 67.71 1uai h THR 14 CO 0.17 0.00 0.98 0.47 0.37 0.00 0.00 175.52 177.50 1uai n ASP 15 N -5.36 7.37 -3.85 4.18 8.00 -1.26 -2.36 116.55 123.27 1uai n ASP 15 Ca 0.03 -3.81 -0.10 0.00 0.71 0.00 0.00 54.79 51.63 1uai n ASP 15 Cb 0.27 -1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 40.25 1uai n ASP 15 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1uai s TRP 16 N -4.10 0.15 0.07 1.24 0.52 -1.02 -0.85 118.94 114.94 1uai s TRP 16 Ca 0.50 -0.51 -0.01 0.00 0.02 0.00 0.00 56.10 56.10 1uai s TRP 16 Cb 0.39 0.13 -0.04 0.00 -1.15 0.00 0.00 33.47 32.80 1uai s TRP 16 CO -0.36 -0.77 -0.02 -1.59 0.02 0.00 0.00 176.95 174.22 1uai s LYS 17 N -3.91 0.68 -0.00 4.98 -2.85 -0.87 -4.45 119.74 113.31 1uai s LYS 17 Ca 0.12 -1.26 0.08 0.00 -1.00 0.00 0.00 55.97 53.91 1uai s LYS 17 Cb 0.02 0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 1uai s LYS 17 CO -0.03 -0.12 -0.25 0.54 0.10 0.00 0.00 175.35 175.60 1uai s VAL 18 N -3.90 1.95 -0.11 1.79 0.11 -0.71 -0.84 120.40 118.69 1uai s VAL 18 Ca 0.10 -1.12 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1uai s VAL 18 Cb 0.08 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1uai s VAL 18 CO -0.08 0.49 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.19 1uai s THR 19 N -0.64 3.38 0.41 5.04 2.01 -0.41 -1.39 115.64 124.05 1uai s THR 19 Ca 0.10 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.61 1uai s THR 19 Cb -0.09 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1uai s THR 19 CO -0.00 0.54 0.28 -0.76 -0.69 0.00 0.00 174.62 173.99 1uai s LEU 20 N 0.01 3.26 -0.13 4.42 1.43 0.25 -1.09 118.68 126.82 1uai s LEU 20 Ca -0.02 -0.91 0.15 0.00 -1.03 0.00 0.00 54.13 52.31 1uai s LEU 20 Cb -0.14 -1.75 0.65 0.00 0.03 0.00 0.00 46.19 44.98 1uai s LEU 20 CO 0.04 -0.60 1.52 -0.81 0.23 0.00 0.00 176.35 176.73 1uai n PRO 21 N -1.39 3.64 -4.52 1.29 -0.04 -0.55 -4.22 135.00 129.21 1uai n PRO 21 Ca 0.01 -2.53 -0.24 0.00 -0.04 0.00 0.00 63.50 60.70 1uai n PRO 21 Cb 0.63 -1.91 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1uai n PRO 21 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1uai s ILE 22 N -2.01 1.66 -3.90 0.52 -4.36 -1.26 -0.69 121.20 111.15 1uai s ILE 22 Ca 0.45 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1uai s ILE 22 Cb 0.30 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 41.22 1uai s ILE 22 CO 0.19 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.91 1uai n GLY 23 N -0.78 0.93 3.82 6.27 0.00 -1.26 -0.89 105.19 113.28 1uai n GLY 23 Ca -0.04 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 1uai n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uai s SER 24 N -1.54 4.48 -0.42 1.61 1.04 -1.23 -4.89 113.70 112.75 1uai s SER 24 Ca 0.00 1.16 -0.44 0.00 0.48 0.00 0.00 55.95 57.15 1uai s SER 24 Cb 0.00 -1.85 -0.18 0.00 0.10 0.00 0.00 66.02 64.09 1uai s SER 24 CO 0.00 -1.96 1.72 -0.24 0.98 0.00 0.00 173.24 173.73 1uai n SER 25 N -3.41 1.63 -0.87 7.02 2.88 -1.26 -0.98 113.62 118.63 1uai n SER 25 Ca 0.07 1.08 -0.11 0.00 -1.33 0.00 0.00 58.87 58.58 1uai n SER 25 Cb 0.57 -0.99 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 1uai n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uai n GLY 26 N 4.44 1.16 2.56 0.46 0.00 -1.25 -4.84 105.19 107.71 1uai n GLY 26 Ca 0.32 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1uai n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uai s LYS 27 N -2.85 1.17 0.20 1.61 2.20 -0.15 -0.35 119.74 121.57 1uai s LYS 27 Ca 0.00 -2.14 -0.32 0.00 -0.36 0.00 0.00 55.97 53.15 1uai s LYS 27 Cb 0.00 -1.92 -0.13 0.00 -1.51 0.00 0.00 37.83 34.27 1uai s LYS 27 CO 0.00 -1.29 1.63 -2.30 -0.36 0.00 0.00 175.35 173.03 1uai n PRO 28 N 3.09 2.46 -2.22 4.03 -0.02 -1.26 -3.51 135.00 137.58 1uai n PRO 28 Ca 0.20 0.89 -0.39 0.00 -2.02 0.00 0.00 63.50 62.18 1uai n PRO 28 Cb 0.41 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.19 1uai n PRO 28 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1uai s SER 29 N 0.92 6.44 0.02 2.55 0.01 -0.07 -4.78 113.70 118.80 1uai s SER 29 Ca 0.75 2.44 0.05 0.00 1.31 0.00 0.00 55.95 60.50 1uai s SER 29 Cb -0.58 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.01 1uai s SER 29 CO 0.38 -0.74 -0.15 -1.61 0.41 0.00 0.00 173.24 171.53 1uai s GLU 30 N -2.28 1.06 -0.11 12.44 2.02 -1.26 -0.59 118.70 129.99 1uai s GLU 30 Ca 0.57 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.89 1uai s GLU 30 Cb -0.33 -1.07 0.01 0.00 0.10 0.00 0.00 34.13 32.84 1uai s GLU 30 CO 0.42 0.28 -0.16 0.42 0.02 0.00 0.00 175.26 176.23 1uai s ILE 31 N -0.67 1.55 0.44 -1.63 -1.09 -0.48 -4.99 121.20 114.33 1uai s ILE 31 Ca 0.04 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 57.85 1uai s ILE 31 Cb -0.07 -1.41 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 1uai s ILE 31 CO 0.01 0.45 0.26 -1.61 -1.23 0.00 0.00 174.94 172.82 1uai s GLU 32 N 0.93 2.31 0.59 2.79 2.02 -1.26 -1.73 118.70 124.34 1uai s GLU 32 Ca -0.08 -1.81 -0.17 0.00 0.02 0.00 0.00 54.97 52.94 1uai s GLU 32 Cb -0.15 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1uai s GLU 32 CO -0.01 -0.22 1.09 -0.65 0.02 0.00 0.00 175.26 175.49 1uai s GLN 33 N -4.02 3.21 0.00 1.61 -1.52 -1.26 -1.35 119.66 116.33 1uai s GLN 33 Ca 0.41 1.39 0.27 0.00 -1.95 0.00 0.00 55.36 55.48 1uai s GLN 33 Cb 0.01 -2.01 0.95 0.00 -0.22 0.00 0.00 33.01 31.75 1uai s GLN 33 CO 0.23 -0.92 1.70 -0.35 -0.25 0.00 0.00 175.29 175.70 1uai n PRO 34 N -1.85 0.37 0.07 2.91 -0.04 -1.26 -4.81 135.00 130.39 1uai n PRO 34 Ca 0.10 -0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1uai n PRO 34 Cb 0.52 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.00 1uai n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uai h ALA 35 N 3.32 1.89 -0.21 0.55 0.00 -1.91 -1.78 119.26 121.13 1uai h ALA 35 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1uai h ALA 35 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1uai h ALA 35 CO 0.00 0.07 0.16 1.25 0.00 0.00 0.00 179.25 180.73 1uai h LEU 36 N 0.33 0.00 -2.16 0.00 5.85 -1.52 -2.04 115.31 115.77 1uai h LEU 36 Ca 0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1uai h LEU 36 Cb 0.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1uai h LEU 36 CO -0.03 0.00 0.10 -0.78 -0.34 0.00 0.00 178.44 177.40 1uai h ASP 37 N 0.00 0.00 -0.78 1.25 3.58 -1.62 -2.67 116.42 116.19 1uai h ASP 37 Ca 0.10 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.14 1uai h ASP 37 Cb 0.42 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.06 1uai h ASP 37 CO -0.00 0.00 -0.98 0.35 -2.88 0.00 0.00 179.24 175.73 1uai n THR 38 N -4.19 1.79 -4.95 2.25 -2.24 -0.78 -4.60 114.28 101.56 1uai n THR 38 Ca -0.00 -3.64 -0.32 0.00 -2.27 0.00 0.00 64.05 57.81 1uai n THR 38 Cb 0.22 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 1uai n THR 38 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1uai s PHE 39 N -3.59 2.65 -0.11 4.78 5.36 -1.01 -5.06 117.98 120.99 1uai s PHE 39 Ca 0.38 -0.21 -0.26 0.00 -0.96 0.00 0.00 56.93 55.88 1uai s PHE 39 Cb 0.38 -1.61 0.06 0.00 -0.34 0.00 0.00 43.02 41.51 1uai s PHE 39 CO -0.02 0.15 0.62 0.00 -1.46 0.00 0.00 175.22 174.50 1uai s ALA 40 N -0.69 -1.58 -0.28 11.12 0.00 -1.26 -4.25 121.76 124.82 1uai s ALA 40 Ca 0.11 1.36 -0.00 0.00 0.00 0.00 0.00 51.96 53.43 1uai s ALA 40 Cb -0.11 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 22.79 1uai s ALA 40 CO 0.00 -0.33 0.32 -0.08 0.00 0.00 0.00 175.76 175.68 1uai s THR 41 N -0.67 -0.47 0.29 0.00 -1.32 0.07 -5.03 115.64 108.50 1uai s THR 41 Ca -0.07 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 59.75 1uai s THR 41 Cb -0.02 -0.95 -0.09 0.00 -1.51 0.00 0.00 72.50 69.93 1uai s THR 41 CO 0.06 -0.37 1.08 0.00 -2.21 0.00 0.00 174.62 173.19 1uai s ALA 42 N 2.42 3.37 -2.53 11.08 0.00 -1.26 -0.96 121.76 133.88 1uai s ALA 42 Ca 0.10 0.86 0.23 0.00 0.00 0.00 0.00 51.96 53.15 1uai s ALA 42 Cb -0.14 -3.31 0.47 0.00 0.00 0.00 0.00 23.12 20.14 1uai s ALA 42 CO -0.29 -0.14 1.42 -0.35 0.00 0.00 0.00 175.76 176.40 1uai n PRO 43 N 1.08 2.30 -0.04 0.00 -0.04 -1.26 -4.92 135.00 132.13 1uai n PRO 43 Ca -0.01 -1.95 -0.05 0.00 -0.04 0.00 0.00 63.50 61.45 1uai n PRO 43 Cb 0.45 -1.48 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 1uai n PRO 43 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1uai h TRP 44 N 4.01 0.69 -1.72 0.54 4.06 -1.57 -3.37 115.95 118.59 1uai h TRP 44 Ca 0.00 -0.14 -0.21 0.00 2.06 0.00 0.00 58.89 60.60 1uai h TRP 44 Cb 0.88 -0.17 -0.29 0.00 -1.00 0.00 0.00 29.16 28.58 1uai h TRP 44 CO 0.17 0.77 -0.56 0.12 -3.56 0.00 0.00 178.44 175.38 1uai s PHE 45 N -4.64 -0.93 0.24 0.49 5.36 -0.14 -1.11 117.98 117.24 1uai s PHE 45 Ca -0.08 0.15 -0.17 0.00 -0.96 0.00 0.00 56.93 55.86 1uai s PHE 45 Cb 0.14 -0.18 0.02 0.00 -0.34 0.00 0.00 43.02 42.65 1uai s PHE 45 CO 0.81 -0.99 0.57 1.14 -1.46 0.00 0.00 175.22 175.28 1uai s GLN 46 N 2.36 1.55 0.33 10.12 -2.07 -0.94 -0.75 119.66 130.27 1uai s GLN 46 Ca 0.11 -1.01 -0.27 0.00 -1.82 0.00 0.00 55.36 52.36 1uai s GLN 46 Cb -0.12 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.24 1uai s GLN 46 CO -0.26 -0.67 1.11 0.08 -1.32 0.00 0.00 175.29 174.22 1uai s VAL 47 N -3.93 3.45 0.85 3.63 1.01 -1.26 -0.10 120.40 124.05 1uai s VAL 47 Ca 0.14 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 1uai s VAL 47 Cb -0.02 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1uai s VAL 47 CO 0.04 0.22 1.09 0.54 0.00 0.00 0.00 175.10 176.99 1uai s ASN 48 N -1.08 3.86 0.37 3.32 2.20 -0.55 -4.73 114.94 118.33 1uai s ASN 48 Ca 0.50 1.60 0.10 0.00 -0.94 0.00 0.00 52.86 54.12 1uai s ASN 48 Cb -0.30 -2.29 0.86 0.00 -2.00 0.00 0.00 41.25 37.52 1uai s ASN 48 CO 0.38 -2.41 1.90 0.00 -2.94 0.00 0.00 177.10 174.03 1uai h ALA 49 N -1.39 1.87 0.00 3.54 0.00 -1.94 -0.76 119.26 120.58 1uai h ALA 49 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1uai h ALA 49 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1uai h ALA 49 CO 0.53 -0.07 0.00 1.63 0.00 0.00 0.00 179.25 181.34 1uai n LYS 50 N -4.52 0.75 -3.68 0.00 5.02 -1.26 -4.92 118.16 109.55 1uai n LYS 50 Ca 0.15 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.22 1uai n LYS 50 Cb 0.43 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1uai n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uai n THR 52 N -4.41 0.00 -3.20 0.00 -2.24 -1.26 -4.93 114.28 98.24 1uai n THR 52 Ca -0.19 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1uai n THR 52 Cb 0.63 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1uai n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uai n GLY 53 N 1.17 1.49 3.49 3.38 0.00 -1.26 -4.79 105.19 108.67 1uai n GLY 53 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 1uai n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uai s VAL 54 N -2.59 4.01 -0.20 1.61 1.01 -0.15 -1.49 120.40 122.61 1uai s VAL 54 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1uai s VAL 54 Cb 0.00 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1uai s VAL 54 CO 0.00 0.46 0.46 -1.58 0.00 0.00 0.00 175.10 174.44 1uai s GLN 55 N 0.61 4.19 -0.15 2.72 0.74 0.86 -0.69 119.66 127.94 1uai s GLN 55 Ca -0.01 0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.72 1uai s GLN 55 Cb -0.14 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.43 1uai s GLN 55 CO 0.02 -0.08 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.45 1uai s PHE 56 N 1.43 2.75 -0.02 1.67 0.08 0.10 -2.20 117.98 121.79 1uai s PHE 56 Ca 0.22 -1.16 0.02 0.00 0.12 0.00 0.00 56.93 56.13 1uai s PHE 56 Cb -0.15 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1uai s PHE 56 CO 0.09 -0.54 -0.07 0.50 -0.10 0.00 0.00 175.22 175.11 1uai s ARG 57 N 0.86 0.69 -0.10 0.44 3.52 -0.27 -1.03 118.95 123.07 1uai s ARG 57 Ca -0.05 -0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.30 1uai s ARG 57 Cb -0.15 -0.67 0.05 0.00 -1.56 0.00 0.00 34.95 32.61 1uai s ARG 57 CO -0.01 0.08 0.09 0.00 -0.81 0.00 0.00 175.30 174.65 1uai s ALA 58 N 0.19 0.20 0.48 6.12 0.00 -0.55 -4.49 121.76 123.70 1uai s ALA 58 Ca -0.02 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 1uai s ALA 58 Cb -0.07 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1uai s ALA 58 CO -0.00 -0.75 0.81 0.00 0.00 0.00 0.00 175.76 175.82 1uai s ALA 59 N 2.19 3.36 0.61 0.00 0.00 -1.26 -1.67 121.76 124.99 1uai s ALA 59 Ca 0.04 -0.38 0.40 0.00 0.00 0.00 0.00 51.96 52.01 1uai s ALA 59 Cb -0.13 -2.67 2.19 0.00 0.00 0.00 0.00 23.12 22.51 1uai s ALA 59 CO -0.06 -0.30 2.32 -0.39 0.00 0.00 0.00 175.76 177.33 1uai h VAL 60 N 0.39 0.16 -0.61 0.00 -1.51 -1.34 -0.20 116.25 113.15 1uai h VAL 60 Ca -0.47 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1uai h VAL 60 Cb 1.20 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1uai h VAL 60 CO 0.62 0.01 0.00 -0.46 -1.23 0.00 0.00 177.57 176.51 1uai n ASN 61 N -3.31 4.07 -4.72 4.19 6.94 -1.26 -2.85 115.26 118.33 1uai n ASN 61 Ca -0.03 -2.27 -0.32 0.00 -0.02 0.00 0.00 54.58 51.95 1uai n ASN 61 Cb 0.09 -0.51 0.12 0.00 -2.36 0.00 0.00 39.78 37.12 1uai n ASN 61 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uai s GLY 62 N -0.90 1.82 0.24 4.83 0.00 -0.09 -4.95 107.32 108.26 1uai s GLY 62 Ca 0.45 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.41 1uai s GLY 62 CO 0.25 0.92 1.32 0.14 0.00 0.00 0.00 173.10 175.73 1uai s VAL 63 N -2.61 3.04 0.12 1.40 1.01 0.13 -4.71 120.40 118.79 1uai s VAL 63 Ca 0.66 0.90 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1uai s VAL 63 Cb -0.22 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1uai s VAL 63 CO 0.54 0.16 -0.09 0.42 0.00 0.00 0.00 175.10 176.13 1uai s THR 64 N -0.23 1.01 -0.03 3.92 -4.23 -1.26 -4.55 115.64 110.26 1uai s THR 64 Ca 0.55 -1.95 -0.35 0.00 -1.18 0.00 0.00 61.69 58.76 1uai s THR 64 Cb -0.38 -1.71 -0.13 0.00 1.34 0.00 0.00 72.50 71.62 1uai s THR 64 CO 0.42 -0.74 1.77 0.41 -0.54 0.00 0.00 174.62 175.94 1uai n THR 65 N -0.02 0.39 0.00 3.99 -1.04 -1.26 -1.60 114.28 114.74 1uai n THR 65 Ca -0.12 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1uai n THR 65 Cb 0.60 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 1uai n THR 65 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1uai n SER 66 N 5.54 0.00 0.00 8.00 7.64 0.53 -2.71 113.62 132.62 1uai n SER 66 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1uai n SER 66 Cb 0.28 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1uai n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uai n GLY 67 N -0.49 1.59 3.28 0.23 0.00 -0.63 -4.46 105.19 104.72 1uai n GLY 67 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1uai n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uai s SER 68 N -2.00 3.37 0.00 1.61 1.04 -1.10 -4.84 113.70 111.79 1uai s SER 68 Ca 0.00 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1uai s SER 68 Cb 0.00 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1uai s SER 68 CO 0.00 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1uai n GLY 69 N 3.30 0.80 3.58 7.32 0.00 -1.26 -4.43 105.19 114.50 1uai n GLY 69 Ca -0.18 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1uai n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uai s TYR 70 N -1.74 2.89 0.54 1.61 2.02 -1.26 -4.79 117.35 116.62 1uai s TYR 70 Ca 0.00 -0.02 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 1uai s TYR 70 Cb 0.00 -1.65 -0.07 0.00 -0.40 0.00 0.00 41.96 39.84 1uai s TYR 70 CO 0.00 0.34 1.00 -1.25 -1.57 0.00 0.00 175.55 174.07 1uai s PRO 71 N -1.10 3.79 0.11 -1.71 0.04 -1.25 -4.82 135.00 130.05 1uai s PRO 71 Ca 0.15 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1uai s PRO 71 Cb -0.11 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1uai s PRO 71 CO 0.04 -0.41 0.43 -0.98 0.04 0.00 0.00 177.00 176.12 1uai s ARG 72 N -4.19 1.05 -0.31 4.56 1.70 -1.26 -1.88 118.95 118.62 1uai s ARG 72 Ca 0.59 -0.59 -0.02 0.00 -0.47 0.00 0.00 55.73 55.24 1uai s ARG 72 Cb -0.11 0.47 0.10 0.00 -0.57 0.00 0.00 34.95 34.84 1uai s ARG 72 CO 0.35 -0.41 0.13 0.45 -1.08 0.00 0.00 175.30 174.74 1uai s SER 73 N -2.59 3.74 -0.09 -2.89 0.15 -0.29 -1.48 113.70 110.24 1uai s SER 73 Ca 0.01 -1.59 -0.15 0.00 0.70 0.00 0.00 55.95 54.91 1uai s SER 73 Cb 0.01 -0.64 0.03 0.00 -1.71 0.00 0.00 66.02 63.72 1uai s SER 73 CO -0.10 -0.41 0.37 -0.70 1.20 0.00 0.00 173.24 173.61 1uai s GLU 74 N 1.70 0.57 0.23 5.44 2.12 -0.25 -0.52 118.70 127.99 1uai s GLU 74 Ca 0.10 0.24 -0.23 0.00 0.36 0.00 0.00 54.97 55.44 1uai s GLU 74 Cb -0.18 0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.39 1uai s GLU 74 CO -0.27 -0.12 0.80 -0.51 -0.54 0.00 0.00 175.26 174.63 1uai s LEU 75 N -0.46 4.44 -0.12 2.70 1.43 0.56 -1.29 118.68 125.93 1uai s LEU 75 Ca -0.06 1.61 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 1uai s LEU 75 Cb -0.04 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1uai s LEU 75 CO 0.02 0.07 -0.19 -0.60 0.23 0.00 0.00 176.35 175.88 1uai s ARG 76 N -1.69 2.70 0.20 1.70 3.00 -0.02 -2.37 118.95 122.47 1uai s ARG 76 Ca 0.42 -0.74 -0.32 0.00 -1.00 0.00 0.00 55.73 54.09 1uai s ARG 76 Cb -0.20 -2.20 -0.12 0.00 0.00 0.00 0.00 34.95 32.43 1uai s ARG 76 CO 0.24 -0.02 1.71 -1.91 0.00 0.00 0.00 175.30 175.32 1uai n GLU 77 N 4.07 2.71 -4.15 5.12 2.13 -0.37 -2.06 120.64 128.09 1uai n GLU 77 Ca -0.20 0.98 -0.25 0.00 0.66 0.00 0.00 57.16 58.35 1uai n GLU 77 Cb 0.52 -2.82 -0.06 0.00 0.27 0.00 0.00 31.44 29.35 1uai n GLU 77 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1uai n MET 78 N 3.96 0.90 -3.98 5.31 2.81 -0.03 -1.94 117.12 124.15 1uai n MET 78 Ca 0.16 -3.00 -0.09 0.00 -1.81 0.00 0.00 57.70 52.97 1uai n MET 78 Cb 0.34 1.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.80 1uai n MET 78 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1uai s THR 79 N -2.58 0.00 -1.11 2.03 -1.32 0.97 -4.47 115.64 109.16 1uai s THR 79 Ca 0.04 -1.36 -0.08 0.00 -1.21 0.00 0.00 61.69 59.09 1uai s THR 79 Cb 0.00 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 68.80 1uai s THR 79 CO 0.03 -0.02 0.88 -0.67 -2.21 0.00 0.00 174.62 172.64 1uai n ASP 80 N -0.38 -5.40 -1.16 8.08 2.03 -1.26 -1.82 116.55 116.63 1uai n ASP 80 Ca -0.02 -0.77 -0.12 0.00 0.52 0.00 0.00 54.79 54.39 1uai n ASP 80 Cb 0.62 -4.72 -0.03 0.00 -0.72 0.00 0.00 41.12 36.27 1uai n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uai n GLY 81 N -1.34 0.53 2.21 0.27 0.00 -1.26 -2.44 105.19 103.15 1uai n GLY 81 Ca -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 1uai n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uai n GLY 82 N -1.24 0.59 0.09 -0.02 0.00 -0.99 -4.78 105.19 98.83 1uai n GLY 82 Ca -0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 1uai n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uai h GLU 83 N 0.36 0.00 -4.39 1.61 4.39 -1.01 -3.41 114.58 112.13 1uai h GLU 83 Ca -0.06 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 1uai h GLU 83 Cb 0.31 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.81 1uai h GLU 83 CO 0.08 0.80 -0.68 -1.83 -1.16 0.00 0.00 179.01 176.23 1uai s GLU 84 N -2.82 0.74 0.25 2.33 -1.05 -0.95 -4.99 118.70 112.22 1uai s GLU 84 Ca 0.02 -1.30 -0.30 0.00 -0.15 0.00 0.00 54.97 53.24 1uai s GLU 84 Cb 0.09 0.11 -0.09 0.00 -0.44 0.00 0.00 34.13 33.79 1uai s GLU 84 CO 0.79 -0.12 1.31 0.15 0.95 0.00 0.00 175.26 178.34 1uai s LYS 85 N -3.93 4.38 0.41 -4.83 1.02 -1.26 -0.02 119.74 115.52 1uai s LYS 85 Ca 0.12 2.12 -0.23 0.00 0.02 0.00 0.00 55.97 58.00 1uai s LYS 85 Cb 0.07 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 34.15 1uai s LYS 85 CO -0.06 -0.22 1.05 0.00 -0.92 0.00 0.00 175.35 175.20 1uai s ALA 86 N -0.37 3.05 -0.28 5.17 0.00 -0.82 -4.67 121.76 123.84 1uai s ALA 86 Ca 0.54 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1uai s ALA 86 Cb -0.38 -3.28 0.17 0.00 0.00 0.00 0.00 23.12 19.63 1uai s ALA 86 CO 0.43 -0.25 0.54 0.45 0.00 0.00 0.00 175.76 176.94 1uai s SER 87 N -1.61 -0.93 0.13 0.00 0.15 -1.25 -4.66 113.70 105.54 1uai s SER 87 Ca 0.59 0.78 0.03 0.00 0.70 0.00 0.00 55.95 58.06 1uai s SER 87 Cb -0.22 1.89 -0.04 0.00 -1.71 0.00 0.00 66.02 65.94 1uai s SER 87 CO 0.27 -0.27 -0.08 -1.66 1.20 0.00 0.00 173.24 172.70 1uai s TRP 88 N 2.78 1.14 0.37 3.44 1.48 -0.19 -4.80 118.94 123.15 1uai s TRP 88 Ca 0.16 -0.83 -0.18 0.00 -1.06 0.00 0.00 56.10 54.19 1uai s TRP 88 Cb -0.15 -0.61 -0.10 0.00 -1.16 0.00 0.00 33.47 31.46 1uai s TRP 88 CO -0.19 -0.02 0.84 0.45 -4.06 0.00 0.00 176.95 173.97 1uai s SER 89 N -3.13 6.88 0.01 -2.66 0.15 -1.26 -1.43 113.70 112.26 1uai s SER 89 Ca 0.16 1.49 0.22 0.00 0.70 0.00 0.00 55.95 58.52 1uai s SER 89 Cb 0.04 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.84 1uai s SER 89 CO -0.01 -0.26 0.99 0.00 1.20 0.00 0.00 173.24 175.16 1uai n ALA 90 N -0.40 4.17 0.54 5.45 0.00 -1.22 -4.26 120.51 124.78 1uai n ALA 90 Ca 0.05 -0.51 0.06 0.00 0.00 0.00 0.00 53.44 53.03 1uai n ALA 90 Cb 0.53 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 19.13 1uai n ALA 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uai n THR 91 N -1.63 0.00 -4.10 0.00 -2.24 -1.26 -0.06 114.28 104.98 1uai n THR 91 Ca 0.03 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.19 1uai n THR 91 Cb 0.36 1.19 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 1uai n THR 91 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uai s SER 92 N -1.35 0.89 0.00 3.42 0.15 -1.26 -4.54 113.70 111.01 1uai s SER 92 Ca 0.12 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1uai s SER 92 Cb 0.10 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1uai s SER 92 CO 0.25 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1uai n GLY 93 N 4.11 -0.98 3.00 9.45 0.00 -1.26 -4.51 105.19 114.99 1uai n GLY 93 Ca -0.24 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1uai n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uai s THR 94 N -1.18 1.47 -0.18 2.61 2.01 -0.13 -4.39 115.64 115.85 1uai s THR 94 Ca 0.00 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1uai s THR 94 Cb 0.00 -1.39 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1uai s THR 94 CO 0.00 0.44 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.18 1uai s HIS 95 N 1.51 2.80 -0.01 4.92 4.02 -0.07 -1.72 115.29 126.73 1uai s HIS 95 Ca 0.04 -1.64 0.05 0.00 1.02 0.00 0.00 55.06 54.54 1uai s HIS 95 Cb -0.13 -1.93 -0.01 0.00 -1.02 0.00 0.00 32.58 29.49 1uai s HIS 95 CO -0.10 -0.80 -0.17 0.99 1.02 0.00 0.00 174.74 175.68 1uai s THR 96 N 1.29 1.36 -0.08 1.30 2.01 -0.46 -0.33 115.64 120.74 1uai s THR 96 Ca 0.05 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1uai s THR 96 Cb -0.13 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1uai s THR 96 CO -0.12 0.37 -0.04 -0.32 -0.69 0.00 0.00 174.62 173.82 1uai s MET 97 N -0.45 1.01 -0.12 4.92 0.00 -0.62 -1.18 119.30 122.85 1uai s MET 97 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.68 1uai s MET 97 Cb -0.07 -1.18 -0.01 0.00 0.00 0.00 0.00 34.83 33.57 1uai s MET 97 CO -0.01 -0.23 -0.14 0.08 0.00 0.00 0.00 175.02 174.72 1uai s VAL 98 N 1.63 2.98 0.03 10.11 1.01 0.44 -1.26 120.40 135.34 1uai s VAL 98 Ca 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1uai s VAL 98 Cb -0.13 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1uai s VAL 98 CO -0.05 0.53 0.10 0.72 0.00 0.00 0.00 175.10 176.40 1uai s PHE 99 N 0.28 0.19 -0.12 5.22 -0.12 -0.43 -0.58 117.98 122.42 1uai s PHE 99 Ca -0.10 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1uai s PHE 99 Cb -0.16 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1uai s PHE 99 CO 0.06 -0.35 -0.13 1.03 -0.05 0.00 0.00 175.22 175.77 1uai s ARG 100 N -2.48 2.02 0.25 1.99 0.52 -0.50 -0.52 118.95 120.24 1uai s ARG 100 Ca -0.06 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1uai s ARG 100 Cb -0.02 -1.83 -0.01 0.00 0.52 0.00 0.00 34.95 33.62 1uai s ARG 100 CO -0.04 -0.15 0.44 -1.83 0.02 0.00 0.00 175.30 173.74 1uai s GLU 101 N 1.27 1.54 -0.02 3.54 -1.05 -0.75 -0.23 118.70 123.00 1uai s GLU 101 Ca -0.01 -1.34 -0.02 0.00 -0.15 0.00 0.00 54.97 53.45 1uai s GLU 101 Cb -0.14 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1uai s GLU 101 CO -0.05 -0.63 0.05 0.00 0.95 0.00 0.00 175.26 175.58 1uai s ALA 102 N -3.94 -0.13 -0.15 -0.84 0.00 -0.39 -1.38 121.76 114.93 1uai s ALA 102 Ca 0.25 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 1uai s ALA 102 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1uai s ALA 102 CO 0.10 -0.03 0.65 -0.06 0.00 0.00 0.00 175.76 176.42 1uai s PHE 103 N -0.03 3.45 -0.13 0.00 0.08 -1.26 -0.94 117.98 119.15 1uai s PHE 103 Ca -0.01 1.04 0.15 0.00 0.12 0.00 0.00 56.93 58.23 1uai s PHE 103 Cb -0.01 -2.79 -0.21 0.00 -0.57 0.00 0.00 43.02 39.44 1uai s PHE 103 CO 0.00 -0.07 0.12 0.09 -0.10 0.00 0.00 175.22 175.26 1uai n ASN 104 N 4.57 1.15 -3.68 1.36 5.03 0.44 -0.39 115.26 123.74 1uai n ASN 104 Ca -0.01 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.29 1uai n ASN 104 Cb 0.50 1.08 -0.08 0.00 -1.02 0.00 0.00 39.78 40.26 1uai n ASN 104 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1uai s HIS 105 N -2.55 -0.42 0.08 3.10 5.04 -1.15 -4.72 115.29 114.67 1uai s HIS 105 Ca -0.07 0.82 0.07 0.00 -1.54 0.00 0.00 55.06 54.34 1uai s HIS 105 Cb 0.06 0.21 -0.03 0.00 0.04 0.00 0.00 32.58 32.86 1uai s HIS 105 CO 0.65 -0.42 -0.19 -0.51 -2.34 0.00 0.00 174.74 171.94 1uai s LEU 106 N -0.83 2.26 0.77 8.88 1.43 -1.19 -1.55 118.68 128.45 1uai s LEU 106 Ca -0.09 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1uai s LEU 106 Cb -0.03 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.44 1uai s LEU 106 CO 0.05 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 1uai s PRO 107 N -1.69 2.28 0.68 1.29 0.04 -1.07 -4.53 135.00 131.99 1uai s PRO 107 Ca 0.05 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1uai s PRO 107 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1uai s PRO 107 CO 0.03 -1.63 1.07 -1.21 0.04 0.00 0.00 177.00 175.30 1uai s GLU 108 N -4.90 2.93 0.00 4.56 0.41 -1.26 -3.38 118.70 117.05 1uai s GLU 108 Ca 0.61 1.07 0.00 0.00 -0.41 0.00 0.00 54.97 56.24 1uai s GLU 108 Cb -0.17 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 1uai s GLU 108 CO 0.56 -1.11 0.00 0.28 -0.49 0.00 0.00 175.26 174.49 1uai n VAL 109 N -2.87 0.00 -3.80 2.63 0.31 -1.26 -4.39 118.33 108.95 1uai n VAL 109 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 1uai n VAL 109 Cb 0.53 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.34 1uai n VAL 109 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1uai s LYS 110 N 0.00 2.14 -1.08 5.55 2.20 -1.26 -5.02 119.74 122.28 1uai s LYS 110 Ca 0.00 -3.08 -0.10 0.00 -0.36 0.00 0.00 55.97 52.43 1uai s LYS 110 Cb 0.00 -3.02 -0.07 0.00 -1.51 0.00 0.00 37.83 33.23 1uai s LYS 110 CO 0.00 -1.30 2.26 -0.35 -0.36 0.00 0.00 175.35 175.60 1uai n PRO 111 N 2.18 2.37 -4.87 4.03 -0.04 -1.22 -4.55 135.00 132.90 1uai n PRO 111 Ca 0.21 -1.76 -0.33 0.00 -0.04 0.00 0.00 63.50 61.58 1uai n PRO 111 Cb 0.37 -2.67 -0.14 0.00 -0.04 0.00 0.00 33.50 31.02 1uai n PRO 111 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uai s HIS 112 N 3.42 2.74 -0.15 0.54 3.76 -1.26 -1.51 115.29 122.83 1uai s HIS 112 Ca 0.49 -0.58 -0.10 0.00 -0.15 0.00 0.00 55.06 54.72 1uai s HIS 112 Cb 0.13 -1.77 0.05 0.00 1.11 0.00 0.00 32.58 32.10 1uai s HIS 112 CO -0.02 -0.15 0.37 -1.17 -0.85 0.00 0.00 174.74 172.93 1uai s LEU 113 N 0.09 0.24 -0.18 0.89 2.96 -0.06 -1.54 118.68 121.08 1uai s LEU 113 Ca -0.07 0.78 -0.06 0.00 -0.22 0.00 0.00 54.13 54.56 1uai s LEU 113 Cb -0.15 1.23 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 1uai s LEU 113 CO 0.05 -0.16 0.03 -0.69 -1.32 0.00 0.00 176.35 174.26 1uai s VAL 114 N 0.92 4.53 -0.44 1.68 1.01 -0.22 -0.42 120.40 127.47 1uai s VAL 114 Ca -0.06 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1uai s VAL 114 Cb -0.06 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.17 1uai s VAL 114 CO -0.07 0.47 0.41 0.61 0.00 0.00 0.00 175.10 176.51 1uai n GLY 115 N 3.56 0.04 3.57 4.51 0.00 -0.43 -1.27 105.19 115.16 1uai n GLY 115 Ca -0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1uai n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uai s ALA 116 N -1.97 -1.89 0.25 4.61 0.00 -1.25 -2.24 121.76 119.27 1uai s ALA 116 Ca 0.03 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.32 1uai s ALA 116 Cb 0.07 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.67 1uai s ALA 116 CO 0.40 -0.32 0.68 1.14 0.00 0.00 0.00 175.76 177.66 1uai s GLN 117 N -1.06 1.65 -0.13 0.00 -2.07 -0.19 -1.16 119.66 116.70 1uai s GLN 117 Ca -0.04 -0.87 0.02 0.00 -1.82 0.00 0.00 55.36 52.65 1uai s GLN 117 Cb -0.01 0.60 -0.00 0.00 -1.09 0.00 0.00 33.01 32.51 1uai s GLN 117 CO 0.04 -0.75 -0.19 0.42 -1.32 0.00 0.00 175.29 173.49 1uai s ILE 118 N -3.88 2.42 0.10 3.63 1.01 -0.48 -1.53 121.20 122.47 1uai s ILE 118 Ca 0.09 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1uai s ILE 118 Cb -0.04 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1uai s ILE 118 CO 0.02 0.54 -0.13 -2.28 0.00 0.00 0.00 174.94 173.09 1uai s HIS 119 N 0.53 1.22 0.00 3.97 2.46 -0.25 -0.59 115.29 122.64 1uai s HIS 119 Ca -0.12 -0.56 0.00 0.00 0.47 0.00 0.00 55.06 54.85 1uai s HIS 119 Cb -0.16 -0.66 0.00 0.00 -0.13 0.00 0.00 32.58 31.62 1uai s HIS 119 CO 0.04 0.07 0.00 -0.40 -2.47 0.00 0.00 174.74 171.98 1uai n ASP 120 N 0.78 1.20 0.08 9.88 5.68 -0.62 -0.64 116.55 132.90 1uai n ASP 120 Ca -0.17 -0.06 0.10 0.00 -0.50 0.00 0.00 54.79 54.15 1uai n ASP 120 Cb 0.56 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.96 1uai n ASP 120 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uai n GLY 121 N 2.99 -1.15 0.13 6.12 0.00 -1.14 -3.80 105.19 108.33 1uai n GLY 121 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1uai n GLY 121 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uai n ASP 122 N -1.95 2.55 -1.69 1.61 8.00 -1.26 -5.13 116.55 118.68 1uai n ASP 122 Ca 0.02 -0.05 0.01 0.00 0.71 0.00 0.00 54.79 55.48 1uai n ASP 122 Cb 0.20 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1uai n ASP 122 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uai n ASP 123 N -3.08 -0.25 -4.77 -2.24 2.03 -1.25 -5.14 116.55 101.86 1uai n ASP 123 Ca -0.30 -1.03 -0.40 0.00 0.52 0.00 0.00 54.79 53.59 1uai n ASP 123 Cb 0.80 0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 41.56 1uai n ASP 123 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1uai s ASP 124 N -1.68 6.80 -0.26 1.67 -4.77 -1.26 -1.59 116.67 115.57 1uai s ASP 124 Ca 0.07 2.55 -0.16 0.00 -3.30 0.00 0.00 52.55 51.71 1uai s ASP 124 Cb -0.00 -2.64 -0.13 0.00 -1.09 0.00 0.00 42.92 39.06 1uai s ASP 124 CO -0.00 -0.50 -0.24 0.52 0.70 0.00 0.00 175.17 175.65 1uai n VAL 125 N 0.72 1.53 -3.64 2.11 0.31 0.25 -4.37 118.33 115.24 1uai n VAL 125 Ca 0.01 -0.31 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 1uai n VAL 125 Cb 0.43 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.37 1uai n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1uai s THR 126 N -2.48 -0.00 0.11 2.52 -1.32 -1.17 -0.87 115.64 112.43 1uai s THR 126 Ca -0.37 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.09 1uai s THR 126 Cb 0.13 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 1uai s THR 126 CO 0.51 0.00 0.06 0.68 -2.21 0.00 0.00 174.62 173.66 1uai s VAL 127 N 0.79 0.13 -0.36 5.08 -7.23 -1.26 -1.38 120.40 116.17 1uai s VAL 127 Ca -0.03 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1uai s VAL 127 Cb -0.05 -1.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.04 1uai s VAL 127 CO -0.06 -0.59 0.52 -0.36 -0.31 0.00 0.00 175.10 174.29 1uai s PHE 128 N -4.00 3.17 -0.14 2.82 0.08 -0.31 -1.33 117.98 118.27 1uai s PHE 128 Ca 0.18 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.37 1uai s PHE 128 Cb 0.07 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.59 1uai s PHE 128 CO -0.02 -0.57 -0.16 0.50 -0.10 0.00 0.00 175.22 174.87 1uai s ARG 129 N 2.40 2.41 -0.17 0.44 3.52 -0.01 -1.32 118.95 126.23 1uai s ARG 129 Ca 0.18 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 55.09 1uai s ARG 129 Cb -0.15 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 1uai s ARG 129 CO 0.14 -0.14 0.09 -1.17 -0.81 0.00 0.00 175.30 173.40 1uai s LEU 130 N 1.20 4.00 -0.29 -0.88 2.96 0.44 -0.15 118.68 125.96 1uai s LEU 130 Ca -0.01 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1uai s LEU 130 Cb -0.14 -2.00 0.09 0.00 0.50 0.00 0.00 46.19 44.64 1uai s LEU 130 CO -0.06 0.23 0.06 -1.61 -1.32 0.00 0.00 176.35 173.65 1uai s GLU 131 N 0.03 0.92 6.54 1.98 2.02 0.10 -0.88 118.70 129.41 1uai s GLU 131 Ca 0.07 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.97 1uai s GLU 131 Cb -0.12 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1uai s GLU 131 CO 0.00 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1uai n GLY 132 N 4.77 1.99 0.48 -1.39 0.00 -0.57 -1.19 105.19 109.28 1uai n GLY 132 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1uai n GLY 132 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uai n THR 133 N 0.00 1.00 -3.64 2.61 -2.24 -1.26 -4.94 114.28 105.81 1uai n THR 133 Ca 0.00 -1.00 -0.39 0.00 -2.27 0.00 0.00 64.05 60.39 1uai n THR 133 Cb 0.00 0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 1uai n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1uai s SER 134 N -1.00 5.61 -0.19 3.42 0.01 -0.33 -0.53 113.70 120.68 1uai s SER 134 Ca 0.17 -0.74 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 1uai s SER 134 Cb 0.09 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 1uai s SER 134 CO 0.12 -0.28 0.24 -0.22 0.41 0.00 0.00 173.24 173.52 1uai s LEU 135 N 1.58 4.19 0.21 2.44 2.96 -0.11 -0.72 118.68 129.24 1uai s LEU 135 Ca 0.03 0.36 0.10 0.00 -0.22 0.00 0.00 54.13 54.40 1uai s LEU 135 Cb -0.18 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.19 1uai s LEU 135 CO 0.06 0.08 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.68 1uai s TYR 136 N 0.71 2.00 -0.22 5.38 2.02 0.79 0.09 117.35 128.12 1uai s TYR 136 Ca 0.13 -0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 56.35 1uai s TYR 136 Cb -0.13 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 1uai s TYR 136 CO 0.03 0.48 -0.03 0.42 -1.57 0.00 0.00 175.55 174.88 1uai s ILE 137 N -2.37 3.51 0.65 2.71 -1.09 0.12 -0.83 121.20 123.90 1uai s ILE 137 Ca 0.22 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.17 1uai s ILE 137 Cb -0.05 -2.60 0.07 0.00 -1.58 0.00 0.00 42.46 38.30 1uai s ILE 137 CO 0.10 0.42 0.91 0.42 -1.23 0.00 0.00 174.94 175.56 1uai s THR 138 N 1.41 2.42 -0.25 2.92 -4.23 -0.44 -1.54 115.64 115.93 1uai s THR 138 Ca 0.05 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1uai s THR 138 Cb -0.14 -2.91 0.11 0.00 1.34 0.00 0.00 72.50 70.90 1uai s THR 138 CO -0.02 0.00 0.24 -0.75 -0.54 0.00 0.00 174.62 173.56 1uai s LYS 139 N -5.03 0.25 6.83 3.99 2.20 -0.91 -4.06 119.74 123.01 1uai s LYS 139 Ca 0.60 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1uai s LYS 139 Cb -0.09 -0.95 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 1uai s LYS 139 CO 0.42 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1uai n GLY 140 N 5.31 3.36 0.00 5.54 0.00 -0.05 -1.18 105.19 118.16 1uai n GLY 140 Ca -0.04 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1uai n GLY 140 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uai n ASP 141 N 3.66 0.00 -4.48 1.61 8.00 -1.26 -4.61 116.55 119.48 1uai n ASP 141 Ca 0.00 -0.31 -0.43 0.00 0.71 0.00 0.00 54.79 54.77 1uai n ASP 141 Cb 0.00 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1uai n ASP 141 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uai s ASP 142 N -2.40 6.28 0.24 -2.24 -1.08 -0.32 -4.86 116.67 112.29 1uai s ASP 142 Ca 0.29 -1.12 0.22 0.00 -0.52 0.00 0.00 52.55 51.42 1uai s ASP 142 Cb 0.17 -2.46 0.96 0.00 -1.46 0.00 0.00 42.92 40.14 1uai s ASP 142 CO 0.36 -1.46 1.67 0.35 0.52 0.00 0.00 175.17 176.62 1uai n THR 143 N 6.03 0.89 -1.42 1.71 -2.24 -1.26 -2.14 114.28 115.85 1uai n THR 143 Ca 0.06 0.31 0.07 0.00 -2.27 0.00 0.00 64.05 62.21 1uai n THR 143 Cb 0.47 -1.24 0.19 0.00 -2.10 0.00 0.00 70.33 67.66 1uai n THR 143 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1uai n HIS 144 N -2.17 0.09 -0.25 4.78 8.25 -1.26 -4.65 115.22 120.01 1uai n HIS 144 Ca 0.02 -1.35 -0.00 0.00 -0.26 0.00 0.00 57.72 56.13 1uai n HIS 144 Cb 0.19 -0.24 0.07 0.00 1.12 0.00 0.00 29.99 31.13 1uai n HIS 144 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1uai h HIS 145 N 0.73 -0.55 -3.07 4.41 2.76 -1.61 -3.39 115.15 114.42 1uai h HIS 145 Ca 0.01 0.07 -0.29 0.00 -2.20 0.00 0.00 60.37 57.96 1uai h HIS 145 Cb 1.05 0.35 -0.36 0.00 1.55 0.00 0.00 27.41 30.01 1uai h HIS 145 CO 0.55 -0.34 -0.64 0.21 -1.30 0.00 0.00 177.93 176.42 1uai s LYS 146 N -6.17 0.04 -0.24 5.26 2.47 -0.59 -5.00 119.74 115.51 1uai s LYS 146 Ca -0.14 0.55 -0.28 0.00 -1.56 0.00 0.00 55.97 54.53 1uai s LYS 146 Cb 0.20 -0.30 0.01 0.00 -1.46 0.00 0.00 37.83 36.28 1uai s LYS 146 CO 0.73 -0.32 1.02 -1.17 0.16 0.00 0.00 175.35 175.77 1uai s LEU 147 N 2.30 4.09 -0.10 5.43 2.96 -1.26 -0.70 118.68 131.39 1uai s LEU 147 Ca 0.03 1.32 -0.26 0.00 -0.22 0.00 0.00 54.13 55.00 1uai s LEU 147 Cb -0.12 -3.50 -0.27 0.00 0.50 0.00 0.00 46.19 42.80 1uai s LEU 147 CO -0.06 -0.66 0.84 0.58 -1.32 0.00 0.00 176.35 175.73 1uai h VAL 148 N 5.46 1.69 -1.87 1.68 2.07 -0.69 -3.48 116.25 121.10 1uai h VAL 148 Ca -0.20 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 1uai h VAL 148 Cb 1.06 3.25 -0.22 0.00 -1.52 0.00 0.00 31.29 33.87 1uai h VAL 148 CO 0.97 0.63 0.26 0.28 0.02 0.00 0.00 177.57 179.72 1uai s THR 149 N -2.42 0.00 -2.21 2.57 -1.32 -1.16 -5.01 115.64 106.10 1uai s THR 149 Ca -0.17 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.53 1uai s THR 149 Cb -0.01 -1.00 0.53 0.00 -1.51 0.00 0.00 72.50 70.51 1uai s THR 149 CO 0.73 0.00 1.47 -1.54 -2.21 0.00 0.00 174.62 173.08 1uai n SER 150 N 1.80 3.53 -2.18 8.08 3.41 -1.26 -0.93 113.62 126.07 1uai n SER 150 Ca -0.15 -1.99 -0.20 0.00 -0.26 0.00 0.00 58.87 56.28 1uai n SER 150 Cb 0.56 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1uai n SER 150 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1uai n ASP 151 N 1.47 4.34 -4.69 4.04 2.03 -1.08 -4.37 116.55 118.29 1uai n ASP 151 Ca 0.21 -3.46 -0.42 0.00 0.52 0.00 0.00 54.79 51.64 1uai n ASP 151 Cb 0.58 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.59 1uai n ASP 151 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1uai s TYR 152 N -3.63 3.42 -0.21 -0.67 5.04 0.31 -5.01 117.35 116.60 1uai s TYR 152 Ca 0.47 1.49 -0.09 0.00 -2.44 0.00 0.00 57.07 56.50 1uai s TYR 152 Cb 0.40 -3.25 -0.04 0.00 0.35 0.00 0.00 41.96 39.41 1uai s TYR 152 CO 0.02 -0.51 0.10 0.15 -1.34 0.00 0.00 175.55 173.96 1uai s LYS 153 N 2.13 3.97 0.29 4.97 1.02 -1.26 -4.54 119.74 126.32 1uai s LYS 153 Ca 0.50 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.88 1uai s LYS 153 Cb -0.20 -3.34 -0.14 0.00 -0.52 0.00 0.00 37.83 33.63 1uai s LYS 153 CO 0.18 0.14 0.96 1.28 -0.92 0.00 0.00 175.35 177.00 1uai n LEU 154 N 3.98 1.57 0.00 3.17 4.77 -1.26 -1.81 117.00 127.41 1uai n LEU 154 Ca -0.16 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1uai n LEU 154 Cb 0.52 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1uai n LEU 154 CO 0.35 -1.55 0.00 0.59 -1.33 0.00 0.00 177.39 175.44 1uai n ASN 155 N 1.25 -2.07 -4.67 -1.43 3.02 0.47 -5.00 115.26 106.83 1uai n ASN 155 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1uai n ASN 155 Cb 0.32 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1uai n ASN 155 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1uai s THR 156 N -2.58 4.98 0.07 3.41 2.01 -0.75 -4.93 115.64 117.84 1uai s THR 156 Ca 0.00 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 1uai s THR 156 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1uai s THR 156 CO 0.00 0.09 0.91 -0.69 -0.69 0.00 0.00 174.62 174.24 1uai s VAL 157 N 1.90 4.64 0.15 3.82 1.01 -1.26 -4.38 120.40 126.29 1uai s VAL 157 Ca 0.32 1.94 0.03 0.00 0.00 0.00 0.00 61.98 64.27 1uai s VAL 157 Cb -0.16 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1uai s VAL 157 CO 0.11 0.30 -0.05 0.72 0.00 0.00 0.00 175.10 176.18 1uai s PHE 158 N 0.20 1.19 -0.23 5.22 -0.12 -0.48 -4.96 117.98 118.81 1uai s PHE 158 Ca 0.45 -0.89 -0.05 0.00 -0.05 0.00 0.00 56.93 56.40 1uai s PHE 158 Cb -0.22 -0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 41.50 1uai s PHE 158 CO 0.27 -0.07 -0.01 -2.00 -0.05 0.00 0.00 175.22 173.36 1uai s GLU 159 N -3.83 3.46 0.16 1.99 2.12 -1.26 -1.81 118.70 119.52 1uai s GLU 159 Ca 0.19 -0.58 0.06 0.00 0.36 0.00 0.00 54.97 55.00 1uai s GLU 159 Cb 0.05 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 1uai s GLU 159 CO 0.01 -0.18 0.02 0.20 -0.54 0.00 0.00 175.26 174.78 1uai s GLY 160 N 1.47 1.76 -0.14 -1.50 0.00 0.32 -0.05 107.32 109.18 1uai s GLY 160 Ca 0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 1uai s GLY 160 CO -0.01 -1.30 0.36 1.25 0.00 0.00 0.00 173.10 173.39 1uai s LYS 161 N -2.86 0.39 -0.11 2.90 2.20 -0.75 -1.31 119.74 120.20 1uai s LYS 161 Ca 0.28 0.57 0.02 0.00 -0.36 0.00 0.00 55.97 56.48 1uai s LYS 161 Cb -0.10 0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.32 1uai s LYS 161 CO 0.19 -0.09 -0.16 -0.06 -0.36 0.00 0.00 175.35 174.87 1uai s PHE 162 N 0.62 2.72 -0.14 4.03 0.08 -0.39 -0.61 117.98 124.30 1uai s PHE 162 Ca -0.04 -0.63 -0.01 0.00 0.12 0.00 0.00 56.93 56.37 1uai s PHE 162 Cb -0.05 -1.77 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 1uai s PHE 162 CO -0.04 -0.18 -0.04 0.08 -0.10 0.00 0.00 175.22 174.94 1uai s VAL 163 N 0.13 0.91 -0.16 -0.44 1.01 -0.31 -1.59 120.40 119.94 1uai s VAL 163 Ca -0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1uai s VAL 163 Cb -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1uai s VAL 163 CO 0.05 0.17 -0.10 -0.69 0.00 0.00 0.00 175.10 174.53 1uai s VAL 164 N 1.73 3.11 -0.16 2.92 1.01 0.56 -0.69 120.40 128.89 1uai s VAL 164 Ca 0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1uai s VAL 164 Cb -0.14 -2.35 0.13 0.00 0.00 0.00 0.00 36.38 34.02 1uai s VAL 164 CO -0.07 0.49 1.02 -0.94 0.00 0.00 0.00 175.10 175.60 1uai s SER 165 N 0.80 -0.34 -1.38 3.32 1.04 -0.71 -0.90 113.70 115.54 1uai s SER 165 Ca -0.04 0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.69 1uai s SER 165 Cb -0.15 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.27 1uai s SER 165 CO 0.01 -0.34 0.27 0.61 0.98 0.00 0.00 173.24 174.77 1uai n GLY 166 N 0.60 -0.50 2.22 7.32 0.00 -1.20 -1.50 105.19 112.13 1uai n GLY 166 Ca -0.09 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1uai n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uai n GLY 167 N -1.12 0.86 3.01 -0.02 0.00 0.91 -4.95 105.19 103.88 1uai n GLY 167 Ca -0.13 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 1uai n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uai s LYS 168 N -2.91 0.49 -0.22 1.61 -0.14 -0.56 -1.29 119.74 116.72 1uai s LYS 168 Ca 0.00 -0.44 -0.02 0.00 -1.36 0.00 0.00 55.97 54.15 1uai s LYS 168 Cb 0.00 -0.39 0.01 0.00 -1.68 0.00 0.00 37.83 35.77 1uai s LYS 168 CO 0.00 0.09 -0.08 0.42 -0.76 0.00 0.00 175.35 175.03 1uai s ILE 169 N -0.66 2.96 -0.22 2.17 1.01 0.72 -1.73 121.20 125.45 1uai s ILE 169 Ca -0.03 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 1uai s ILE 169 Cb -0.05 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1uai s ILE 169 CO 0.00 0.37 0.13 -0.54 0.00 0.00 0.00 174.94 174.89 1uai s LYS 170 N 1.39 4.04 -0.15 2.79 -0.14 0.14 -0.52 119.74 127.29 1uai s LYS 170 Ca 0.04 -0.29 0.01 0.00 -1.36 0.00 0.00 55.97 54.36 1uai s LYS 170 Cb -0.15 -3.43 -0.00 0.00 -1.68 0.00 0.00 37.83 32.57 1uai s LYS 170 CO -0.05 0.13 -0.16 0.08 -0.76 0.00 0.00 175.35 174.58 1uai s VAL 171 N 0.84 2.59 0.13 3.17 1.01 -0.64 -1.16 120.40 126.33 1uai s VAL 171 Ca 0.06 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1uai s VAL 171 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1uai s VAL 171 CO 0.02 0.52 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 1uai s TYR 172 N 0.73 2.52 -0.11 5.22 2.02 0.22 -0.12 117.35 127.84 1uai s TYR 172 Ca -0.07 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.35 1uai s TYR 172 Cb -0.16 -1.33 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 1uai s TYR 172 CO 0.01 0.40 -0.01 -0.47 -1.57 0.00 0.00 175.55 173.91 1uai s TYR 173 N -1.21 1.01 -1.55 2.71 5.04 -0.52 -1.80 117.35 121.02 1uai s TYR 173 Ca 0.18 -0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 54.20 1uai s TYR 173 Cb -0.10 -0.98 0.08 0.00 0.35 0.00 0.00 41.96 41.30 1uai s TYR 173 CO 0.10 -0.45 0.71 0.09 -1.34 0.00 0.00 175.55 174.66 1uai n ASN 174 N 5.06 -2.54 0.00 4.32 3.02 0.93 -1.41 115.26 124.63 1uai n ASN 174 Ca -0.09 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1uai n ASN 174 Cb 0.49 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 1uai n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uai n GLY 175 N -1.66 2.30 3.67 7.41 0.00 -1.26 -5.02 105.19 110.62 1uai n GLY 175 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1uai n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uai s VAL 176 N -3.04 5.07 0.07 1.61 1.01 -0.50 -5.04 120.40 119.58 1uai s VAL 176 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 1uai s VAL 176 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 1uai s VAL 176 CO 0.00 0.44 1.69 -0.22 0.00 0.00 0.00 175.10 177.01 1uai s LEU 177 N 0.45 4.37 -0.23 3.92 2.96 -1.26 -1.44 118.68 127.45 1uai s LEU 177 Ca 0.05 2.52 0.04 0.00 -0.22 0.00 0.00 54.13 56.52 1uai s LEU 177 Cb -0.12 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 1uai s LEU 177 CO -0.00 -0.91 -0.10 0.00 -1.32 0.00 0.00 176.35 174.02 1uai n GLN 178 N 5.69 0.67 -3.51 1.98 1.13 0.84 -4.95 117.38 119.23 1uai n GLN 178 Ca 0.16 0.14 -0.10 0.00 -1.94 0.00 0.00 57.00 55.27 1uai n GLN 178 Cb 0.40 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 29.17 1uai n GLN 178 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1uai s THR 179 N -2.52 0.00 -0.14 5.09 -1.32 -1.21 -5.03 115.64 110.51 1uai s THR 179 Ca -0.29 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.19 1uai s THR 179 Cb 0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1uai s THR 179 CO 0.66 0.00 -0.14 -0.89 -2.21 0.00 0.00 174.62 172.04 1uai s THR 180 N -2.59 1.55 -0.14 5.08 2.01 -1.26 -1.61 115.64 118.68 1uai s THR 180 Ca 0.02 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 1uai s THR 180 Cb -0.01 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1uai s THR 180 CO -0.06 0.46 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.59 1uai s ILE 181 N 1.42 3.26 0.04 1.82 1.01 0.32 -4.91 121.20 124.16 1uai s ILE 181 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 1uai s ILE 181 Cb -0.13 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1uai s ILE 181 CO -0.09 0.52 1.22 -0.44 0.00 0.00 0.00 174.94 176.14 1uai s SER 182 N 0.36 7.05 -0.26 3.58 0.01 -1.26 -0.20 113.70 122.97 1uai s SER 182 Ca -0.09 2.01 -0.09 0.00 1.31 0.00 0.00 55.95 59.09 1uai s SER 182 Cb -0.15 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.61 1uai s SER 182 CO 0.05 -0.51 0.55 -2.28 0.41 0.00 0.00 173.24 171.46 1uai s HIS 183 N 1.31 -1.11 -0.02 2.43 5.04 -0.41 -4.93 115.29 117.60 1uai s HIS 183 Ca 0.59 1.99 0.00 0.00 -1.54 0.00 0.00 55.06 56.10 1uai s HIS 183 Cb -0.29 0.59 0.00 0.00 0.04 0.00 0.00 32.58 32.92 1uai s HIS 183 CO 0.28 -0.59 0.41 0.25 -2.34 0.00 0.00 174.74 172.75 1uai n THR 184 N 5.37 0.00 -1.78 0.89 -2.24 -1.26 -3.87 114.28 111.39 1uai n THR 184 Ca -0.11 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.86 1uai n THR 184 Cb 0.50 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1uai n THR 184 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uai s SER 185 N -0.21 5.70 0.00 3.42 1.04 -1.26 -4.59 113.70 117.81 1uai s SER 185 Ca 0.00 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1uai s SER 185 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1uai s SER 185 CO 0.00 -1.22 0.00 -1.20 0.98 0.00 0.00 173.24 171.80 1uai n SER 186 N -2.73 0.22 -0.74 7.02 7.64 -1.26 -3.37 113.62 120.40 1uai n SER 186 Ca 0.07 -0.75 -0.08 0.00 1.01 0.00 0.00 58.87 59.13 1uai n SER 186 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1uai n SER 186 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uai n GLY 187 N 5.00 0.54 3.87 0.23 0.00 -1.05 -4.51 105.19 109.27 1uai n GLY 187 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1uai n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uai s ASN 188 N -2.79 6.48 0.08 1.61 0.01 -0.52 -2.90 114.94 116.93 1uai s ASN 188 Ca 0.00 1.20 -0.26 0.00 -0.71 0.00 0.00 52.86 53.10 1uai s ASN 188 Cb 0.00 -2.36 0.07 0.00 0.41 0.00 0.00 41.25 39.37 1uai s ASN 188 CO 0.00 -0.49 0.64 -0.72 -1.51 0.00 0.00 177.10 175.02 1uai s TYR 189 N -2.52 -0.58 0.24 2.20 -0.85 0.19 -1.03 117.35 115.01 1uai s TYR 189 Ca 0.52 0.60 -0.02 0.00 -0.52 0.00 0.00 57.07 57.66 1uai s TYR 189 Cb -0.10 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 1uai s TYR 189 CO 0.35 -0.76 0.45 -0.06 -1.52 0.00 0.00 175.55 174.01 1uai s PHE 190 N -2.85 3.48 0.02 -3.49 0.08 -1.26 -1.09 117.98 112.87 1uai s PHE 190 Ca -0.03 0.42 -0.06 0.00 0.12 0.00 0.00 56.93 57.38 1uai s PHE 190 Cb -0.01 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 1uai s PHE 190 CO -0.05 0.29 0.11 0.15 -0.10 0.00 0.00 175.22 175.63 1uai s LYS 191 N -3.52 0.51 -0.23 0.44 1.02 -0.58 -1.24 119.74 116.14 1uai s LYS 191 Ca 0.40 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.66 1uai s LYS 191 Cb -0.11 0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.47 1uai s LYS 191 CO 0.30 -0.12 0.61 0.00 -0.92 0.00 0.00 175.35 175.22 1uai s ALA 192 N -1.80 -1.53 0.00 5.17 0.00 -1.00 -1.02 121.76 121.58 1uai s ALA 192 Ca -0.12 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1uai s ALA 192 Cb -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1uai s ALA 192 CO -0.01 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1uai n GLY 193 N 3.01 0.00 3.07 0.00 0.00 -0.95 -0.32 105.19 109.99 1uai n GLY 193 Ca -0.15 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1uai n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uai s ALA 194 N -1.00 2.69 -0.50 4.61 0.00 0.32 -4.12 121.76 123.77 1uai s ALA 194 Ca 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 51.96 49.94 1uai s ALA 194 Cb 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 23.12 21.51 1uai s ALA 194 CO 0.00 -1.35 0.29 -0.47 0.00 0.00 0.00 175.76 174.23 1uai s TYR 195 N 1.06 3.50 -0.23 0.00 5.04 -0.40 -1.14 117.35 125.19 1uai s TYR 195 Ca -0.03 -2.60 -0.29 0.00 -2.44 0.00 0.00 57.07 51.71 1uai s TYR 195 Cb -0.20 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 38.92 1uai s TYR 195 CO -0.05 -0.91 1.35 0.99 -1.34 0.00 0.00 175.55 175.58 1uai s THR 196 N 0.58 4.11 -0.62 4.34 2.01 -0.79 -1.06 115.64 124.21 1uai s THR 196 Ca 0.12 1.29 -0.05 0.00 0.31 0.00 0.00 61.69 63.36 1uai s THR 196 Cb -0.22 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1uai s THR 196 CO -0.04 -0.31 2.95 0.00 -0.69 0.00 0.00 174.62 176.54 1uai n GLN 197 N 7.09 2.85 -3.58 4.92 1.13 -0.59 -3.91 117.38 125.29 1uai n GLN 197 Ca 0.15 -2.18 -0.14 0.00 -1.94 0.00 0.00 57.00 52.89 1uai n GLN 197 Cb 0.46 -2.27 -0.06 0.00 0.11 0.00 0.00 30.24 28.48 1uai n GLN 197 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1uai s ALA 198 N -0.48 -1.85 0.08 -1.58 0.00 -1.26 -4.63 121.76 112.04 1uai s ALA 198 Ca 0.61 1.64 0.02 0.00 0.00 0.00 0.00 51.96 54.23 1uai s ALA 198 Cb 0.31 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1uai s ALA 198 CO -0.12 -0.33 0.06 0.27 0.00 0.00 0.00 175.76 175.65 1uai n ASN 199 N 1.48 -0.09 0.00 0.00 0.23 -1.26 -4.50 115.26 111.12 1uai n ASN 199 Ca -0.15 -1.51 0.06 0.00 -0.53 0.00 0.00 54.58 52.45 1uai n ASN 199 Cb 0.57 0.38 0.27 0.00 -2.08 0.00 0.00 39.78 38.92 1uai n ASN 199 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1uai h SER 201 N 0.00 0.00 0.00 0.00 4.64 -1.96 -3.38 113.55 112.86 1uai h SER 201 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uai h SER 201 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1uai h SER 201 CO 0.00 0.66 -0.10 -0.46 -0.87 0.00 0.00 176.83 176.06 1uai n ASN 202 N -3.18 1.21 -3.73 4.97 0.23 -0.97 -5.04 115.26 108.75 1uai n ASN 202 Ca -0.02 -2.03 -0.12 0.00 -0.53 0.00 0.00 54.58 51.88 1uai n ASN 202 Cb 0.82 -0.15 -0.11 0.00 -2.08 0.00 0.00 39.78 38.26 1uai n ASN 202 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1uai s SER 203 N -1.23 -0.38 0.08 0.53 0.15 -0.49 -4.34 113.70 108.00 1uai s SER 203 Ca 0.08 0.71 0.05 0.00 0.70 0.00 0.00 55.95 57.49 1uai s SER 203 Cb 0.07 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 65.01 1uai s SER 203 CO 0.01 -0.15 -0.13 -0.94 1.20 0.00 0.00 173.24 173.23 1uai s SER 204 N 0.79 1.57 0.70 5.45 1.04 -1.26 -4.32 113.70 117.67 1uai s SER 204 Ca -0.05 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 1uai s SER 204 Cb -0.06 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1uai s SER 204 CO -0.06 -0.13 1.06 -2.16 0.98 0.00 0.00 173.24 172.94 1uai s PRO 205 N -1.99 2.88 -1.21 4.02 0.04 -1.26 -4.68 135.00 132.80 1uai s PRO 205 Ca -0.01 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.84 1uai s PRO 205 Cb -0.08 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1uai s PRO 205 CO 0.02 -1.14 1.54 0.00 0.04 0.00 0.00 177.00 177.46 1uai s SER 207 N 3.70 0.14 0.00 0.00 0.15 -1.26 -4.93 113.70 111.49 1uai s SER 207 Ca 0.47 -0.50 0.16 0.00 0.70 0.00 0.00 55.95 56.79 1uai s SER 207 Cb 0.00 0.25 0.76 0.00 -1.71 0.00 0.00 66.02 65.32 1uai s SER 207 CO 0.02 -0.54 1.51 -1.20 1.20 0.00 0.00 173.24 174.23 1uai n SER 208 N 0.68 0.00 -0.36 5.45 7.64 -1.26 -1.85 113.62 123.92 1uai n SER 208 Ca -0.19 0.31 0.14 0.00 1.01 0.00 0.00 58.87 60.14 1uai n SER 208 Cb 0.59 -0.41 0.48 0.00 -1.01 0.00 0.00 64.21 63.86 1uai n SER 208 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uai n SER 209 N -1.41 1.24 -4.21 6.43 3.41 -1.26 -4.58 113.62 113.24 1uai n SER 209 Ca 0.06 -1.21 -0.39 0.00 -0.26 0.00 0.00 58.87 57.06 1uai n SER 209 Cb 0.17 0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1uai n SER 209 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1uai s ASN 210 N -2.21 5.56 0.23 4.04 3.84 -0.77 -5.06 114.94 120.57 1uai s ASN 210 Ca 0.33 -1.81 -0.13 0.00 0.21 0.00 0.00 52.86 51.46 1uai s ASN 210 Cb 0.20 -1.96 -0.00 0.00 -0.55 0.00 0.00 41.25 38.94 1uai s ASN 210 CO 0.41 -0.61 0.45 -0.72 -2.79 0.00 0.00 177.10 173.85 1uai s TYR 211 N 1.33 0.33 -0.01 0.43 -0.85 -1.26 -1.19 117.35 116.13 1uai s TYR 211 Ca 0.05 -0.69 0.02 0.00 -0.52 0.00 0.00 57.07 55.93 1uai s TYR 211 Cb -0.24 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.23 1uai s TYR 211 CO -0.01 -0.95 -0.04 0.20 -1.52 0.00 0.00 175.55 173.23 1uai s GLY 212 N -3.00 1.79 -0.07 5.49 0.00 -0.67 -2.60 107.32 108.26 1uai s GLY 212 Ca 0.21 -0.98 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 1uai s GLY 212 CO 0.07 -0.83 0.18 1.62 0.00 0.00 0.00 173.10 174.14 1uai s GLN 213 N -1.38 0.21 0.01 2.90 0.74 -0.59 -1.48 119.66 120.06 1uai s GLN 213 Ca 0.17 0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.86 1uai s GLN 213 Cb -0.11 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 1uai s GLN 213 CO 0.08 -0.03 -0.10 0.08 -0.55 0.00 0.00 175.29 174.76 1uai s VAL 214 N 0.11 0.81 -0.14 1.34 1.01 -0.19 -0.42 120.40 122.91 1uai s VAL 214 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1uai s VAL 214 Cb -0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 1uai s VAL 214 CO 0.00 0.10 -0.13 -0.44 0.00 0.00 0.00 175.10 174.63 1uai s SER 215 N -0.59 3.97 -0.23 3.32 0.01 -0.12 -0.72 113.70 119.35 1uai s SER 215 Ca 0.02 -0.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 1uai s SER 215 Cb -0.05 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.54 1uai s SER 215 CO 0.00 0.13 0.02 -0.22 0.41 0.00 0.00 173.24 173.58 1uai s LEU 216 N 0.56 3.23 -0.10 2.44 2.96 0.14 -1.26 118.68 126.64 1uai s LEU 216 Ca -0.08 -0.26 0.15 0.00 -0.22 0.00 0.00 54.13 53.72 1uai s LEU 216 Cb -0.16 -1.84 -0.22 0.00 0.50 0.00 0.00 46.19 44.47 1uai s LEU 216 CO 0.03 -0.01 0.18 -1.22 -1.32 0.00 0.00 176.35 174.02 1uai n TYR 217 N 4.73 0.00 -3.79 5.38 4.01 0.68 -0.98 117.16 127.19 1uai n TYR 217 Ca -0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.44 1uai n TYR 217 Cb 0.51 -0.63 -0.11 0.00 -0.31 0.00 0.00 39.34 38.80 1uai n TYR 217 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1uai s LYS 218 N -2.70 0.31 -0.23 -0.72 2.20 -1.13 -4.92 119.74 112.55 1uai s LYS 218 Ca -0.07 0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.77 1uai s LYS 218 Cb 0.07 0.15 0.12 0.00 -1.51 0.00 0.00 37.83 36.66 1uai s LYS 218 CO 0.67 -0.05 0.37 -1.17 -0.36 0.00 0.00 175.35 174.82 1uai s LEU 219 N -0.04 -0.60 -0.05 5.43 2.96 -1.26 -1.40 118.68 123.73 1uai s LEU 219 Ca -0.02 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1uai s LEU 219 Cb -0.02 1.10 0.02 0.00 0.50 0.00 0.00 46.19 47.79 1uai s LEU 219 CO 0.01 -0.29 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.63 1uai s GLN 220 N 2.54 0.65 -0.05 1.98 -0.21 0.25 -4.72 119.66 120.10 1uai s GLN 220 Ca 0.10 -0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.51 1uai s GLN 220 Cb -0.15 -0.79 -0.00 0.00 1.00 0.00 0.00 33.01 33.07 1uai s GLN 220 CO -0.15 -0.15 -0.18 0.08 -2.12 0.00 0.00 175.29 172.77 1uai s VAL 221 N 1.21 1.51 0.05 1.09 1.01 -1.26 -0.42 120.40 123.60 1uai s VAL 221 Ca -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1uai s VAL 221 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1uai s VAL 221 CO -0.02 0.43 -0.06 0.42 0.00 0.00 0.00 175.10 175.88 1uai s THR 222 N 0.04 0.44 -0.04 3.92 -4.23 -0.33 -5.01 115.64 110.43 1uai s THR 222 Ca -0.04 -1.36 -0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1uai s THR 222 Cb -0.12 -0.94 0.03 0.00 1.34 0.00 0.00 72.50 72.81 1uai s THR 222 CO 0.03 -0.62 0.10 -1.00 -0.54 0.00 0.00 174.62 172.58 1uai s HIS 223 N -2.33 -0.09 0.00 3.99 3.76 -1.26 -1.35 115.29 118.01 1uai s HIS 223 Ca -0.03 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1uai s HIS 223 Cb -0.04 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.57 1uai s HIS 223 CO -0.03 -0.11 0.00 -1.13 -0.85 0.00 0.00 174.74 172.62