#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n VAL 3 N 0.00 -2.26 -1.99 0.00 0.31 -1.26 -4.97 118.33 108.15 3i8i n VAL 3 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3i8i n VAL 3 Cb 0.00 -2.71 0.03 0.00 -0.91 0.00 0.00 33.84 30.25 3i8i n VAL 3 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i8i s LYS 4 N -0.93 3.00 0.15 5.55 3.01 -0.07 -4.88 119.74 125.57 3i8i s LYS 4 Ca 0.00 1.65 0.07 0.00 -1.01 0.00 0.00 55.97 56.68 3i8i s LYS 4 Cb 0.00 -1.95 -0.04 0.00 -1.01 0.00 0.00 37.83 34.83 3i8i s LYS 4 CO 0.00 -1.14 -0.15 0.21 0.51 0.00 0.00 175.35 174.78 3i8i s LYS 5 N -3.53 1.14 0.28 1.68 2.47 -1.26 -2.27 119.74 118.24 3i8i s LYS 5 Ca 0.73 -1.35 0.11 0.00 -1.56 0.00 0.00 55.97 53.90 3i8i s LYS 5 Cb -0.26 -1.04 -0.05 0.00 -1.46 0.00 0.00 37.83 35.02 3i8i s LYS 5 CO 0.34 0.20 -0.15 -0.06 0.16 0.00 0.00 175.35 175.83 3i8i s PHE 6 N -2.32 2.39 0.41 4.03 0.40 -1.26 -5.00 117.98 116.63 3i8i s PHE 6 Ca 0.13 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 55.99 3i8i s PHE 6 Cb -0.04 -1.05 -0.09 0.00 0.51 0.00 0.00 43.02 42.35 3i8i s PHE 6 CO 0.04 0.69 0.86 0.15 0.70 0.00 0.00 175.22 177.67 3i8i s LYS 7 N -3.55 4.04 -0.88 0.44 -0.14 -1.26 -4.60 119.74 113.79 3i8i s LYS 7 Ca 0.30 0.85 -0.11 0.00 -1.36 0.00 0.00 55.97 55.65 3i8i s LYS 7 Cb -0.05 -2.28 -0.09 0.00 -1.68 0.00 0.00 37.83 33.73 3i8i s LYS 7 CO 0.16 -0.01 2.05 -0.35 -0.76 0.00 0.00 175.35 176.44 3i8i n PRO 8 N -0.81 1.90 -0.41 -1.68 -0.04 -1.23 -4.48 135.00 128.25 3i8i n PRO 8 Ca 0.05 -1.62 0.08 0.00 -0.04 0.00 0.00 63.50 61.97 3i8i n PRO 8 Cb 0.54 -2.63 0.26 0.00 -0.04 0.00 0.00 33.50 31.63 3i8i n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3i8i n TYR 9 N 5.38 1.00 -3.64 0.54 4.11 -1.25 -4.81 117.16 118.49 3i8i n TYR 9 Ca 0.46 -0.43 -0.05 0.00 -0.00 0.00 0.00 57.90 57.89 3i8i n TYR 9 Cb 0.23 -0.13 -0.07 0.00 -0.00 0.00 0.00 39.34 39.37 3i8i n TYR 9 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3i8i s THR 10 N -1.59 0.00 1.04 -3.48 -1.32 -1.26 -5.05 115.64 103.97 3i8i s THR 10 Ca 0.38 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.73 3i8i s THR 10 Cb 0.23 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.37 3i8i s THR 10 CO 0.21 0.00 0.69 -0.81 -2.21 0.00 0.00 174.62 172.51 3i8i n PRO 11 N 2.55 -1.18 0.00 7.08 -0.04 -1.26 -1.52 135.00 140.62 3i8i n PRO 11 Ca -0.14 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 3i8i n PRO 11 Cb 0.57 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3i8i n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i8i n SER 12 N -3.18 0.00 -3.71 3.54 3.41 -1.26 -4.64 113.62 107.78 3i8i n SER 12 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 3i8i n SER 12 Cb 0.55 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 3i8i n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i8i n ARG 13 N 0.00 5.27 0.00 4.33 0.63 -0.58 -1.76 116.66 124.55 3i8i n ARG 13 Ca 0.00 -4.65 0.00 0.00 -0.92 0.00 0.00 57.85 52.28 3i8i n ARG 13 Cb 0.00 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.43 3i8i n ARG 13 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3i8i n ARG 14 N 0.21 0.00 0.00 -0.14 1.85 -1.26 -3.58 116.66 113.75 3i8i n ARG 14 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.28 3i8i n ARG 14 Cb 0.27 -0.06 0.00 0.00 -1.05 0.00 0.00 32.46 31.63 3i8i n ARG 14 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3i8i n PHE 15 N 0.00 0.00 -1.53 2.89 0.99 -1.20 -4.87 117.46 113.75 3i8i n PHE 15 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.08 3i8i n PHE 15 Cb 0.19 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.74 3i8i n PHE 15 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 3i8i n MET 16 N -0.67 0.75 -3.72 -1.08 1.56 -0.72 -4.68 117.12 108.56 3i8i n MET 16 Ca 0.00 0.31 -0.13 0.00 -0.27 0.00 0.00 57.70 57.61 3i8i n MET 16 Cb 0.07 -2.23 -0.10 0.00 2.15 0.00 0.00 33.22 33.12 3i8i n MET 16 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3i8i s THR 17 N -1.62 -0.00 0.00 1.12 -1.32 -0.73 -4.17 115.64 108.92 3i8i s THR 17 Ca 0.76 0.01 0.07 0.00 -1.21 0.00 0.00 61.69 61.32 3i8i s THR 17 Cb -0.38 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 3i8i s THR 17 CO 0.47 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.98 3i8i s VAL 18 N 0.36 1.70 0.48 5.08 1.01 -0.96 -3.45 120.40 124.60 3i8i s VAL 18 Ca -0.01 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 3i8i s VAL 18 Cb -0.04 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 3i8i s VAL 18 CO -0.01 0.40 0.99 0.00 0.00 0.00 0.00 175.10 176.48 3i8i n ALA 19 N 2.34 0.20 -2.62 5.51 0.00 -1.26 -0.89 120.51 123.80 3i8i n ALA 19 Ca -0.16 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 3i8i n ALA 19 Cb 0.53 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 3i8i n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i8i s ASP 20 N -0.88 6.36 -0.11 0.00 2.15 -1.26 -4.61 116.67 118.32 3i8i s ASP 20 Ca 0.67 0.43 0.13 0.00 0.43 0.00 0.00 52.55 54.20 3i8i s ASP 20 Cb -0.51 -2.25 0.55 0.00 -0.30 0.00 0.00 42.92 40.41 3i8i s ASP 20 CO 0.54 -0.23 1.40 0.49 -0.17 0.00 0.00 175.17 177.20 3i8i n PHE 21 N 5.39 1.21 -0.30 -5.34 3.01 -1.26 -4.58 117.46 115.59 3i8i n PHE 21 Ca -0.06 -0.46 -0.09 0.00 1.01 0.00 0.00 57.45 57.85 3i8i n PHE 21 Cb 0.50 -0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 3i8i n PHE 21 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3i8i h SER 22 N 2.99 -1.81 0.00 4.37 4.64 -2.03 0.65 113.55 122.37 3i8i h SER 22 Ca 0.00 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3i8i h SER 22 Cb 1.25 0.81 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 3i8i h SER 22 CO 0.22 -0.30 0.30 -0.62 -0.87 0.00 0.00 176.83 175.56 3i8i n GLU 23 N -5.35 0.06 -2.14 4.77 -0.58 -1.26 -4.36 120.64 111.78 3i8i n GLU 23 Ca 0.02 0.49 -0.40 0.00 -0.42 0.00 0.00 57.16 56.85 3i8i n GLU 23 Cb 0.32 -2.01 -0.03 0.00 -0.57 0.00 0.00 31.44 29.16 3i8i n GLU 23 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i8i s ILE 24 N -3.11 3.50 0.43 -3.67 -1.09 0.23 -4.76 121.20 112.73 3i8i s ILE 24 Ca -0.01 0.38 -0.23 0.00 -2.23 0.00 0.00 60.65 58.56 3i8i s ILE 24 Cb 0.03 -4.05 -0.11 0.00 -1.58 0.00 0.00 42.46 36.75 3i8i s ILE 24 CO 0.08 -0.92 0.81 1.07 -1.23 0.00 0.00 174.94 174.76 3i8i n THR 25 N 7.13 2.26 -1.51 2.92 5.66 0.16 -4.55 114.28 126.33 3i8i n THR 25 Ca 0.18 -0.50 -0.40 0.00 -3.05 0.00 0.00 64.05 60.28 3i8i n THR 25 Cb 0.50 -0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 68.30 3i8i n THR 25 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3i8i n LYS 26 N 0.26 0.50 0.00 1.09 4.01 -1.26 -4.34 118.16 118.42 3i8i n LYS 26 Ca 0.11 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 3i8i n LYS 26 Cb 0.40 -2.37 0.00 0.00 -0.51 0.00 0.00 35.03 32.55 3i8i n LYS 26 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3i8i n THR 27 N 7.67 0.00 0.00 -0.18 5.66 -1.26 -4.98 114.28 121.20 3i8i n THR 27 Ca 0.52 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.52 3i8i n THR 27 Cb 0.26 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 3i8i n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3i8i n GLU 28 N 0.00 0.00 -1.69 1.09 4.71 -1.26 -4.95 120.64 118.54 3i8i n GLU 28 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.70 3i8i n GLU 28 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 3i8i n GLU 28 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3i8i n PRO 29 N 0.00 2.42 0.00 3.49 -0.04 -1.26 -4.82 135.00 134.79 3i8i n PRO 29 Ca 0.00 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 3i8i n PRO 29 Cb 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 3i8i n PRO 29 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i8i n GLU 30 N 3.98 0.55 -3.95 0.54 -0.58 -1.26 -5.01 120.64 114.92 3i8i n GLU 30 Ca 0.17 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.60 3i8i n GLU 30 Cb 0.32 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.03 3i8i n GLU 30 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3i8i s LYS 31 N -0.54 1.38 0.87 3.49 2.47 -1.26 -5.06 119.74 121.10 3i8i s LYS 31 Ca 0.00 -1.54 -0.13 0.00 -1.56 0.00 0.00 55.97 52.74 3i8i s LYS 31 Cb 0.00 -2.83 0.05 0.00 -1.46 0.00 0.00 37.83 33.60 3i8i s LYS 31 CO 0.00 -0.88 0.76 -1.13 0.16 0.00 0.00 175.35 174.27 3i8i n SER 32 N 4.45 -0.70 0.00 1.43 3.41 -1.17 -3.54 113.62 117.51 3i8i n SER 32 Ca -0.01 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3i8i n SER 32 Cb 0.42 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 3i8i n SER 32 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i8i n LEU 33 N -2.15 0.00 -4.57 1.04 4.77 -1.26 -4.72 117.00 110.11 3i8i n LEU 33 Ca 0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 3i8i n LEU 33 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3i8i n LEU 33 CO 0.50 0.00 1.52 0.54 -1.33 0.00 0.00 177.39 178.61 3i8i s VAL 34 N 0.00 3.67 0.29 4.08 0.11 -1.23 -4.59 120.40 122.73 3i8i s VAL 34 Ca 0.00 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 3i8i s VAL 34 Cb 0.00 -4.56 0.00 0.00 -1.53 0.00 0.00 36.38 30.29 3i8i s VAL 34 CO 0.00 -1.31 0.00 0.29 -3.33 0.00 0.00 175.10 170.75 3i8i n LYS 35 N 8.61 -1.78 -1.14 1.54 5.02 -1.26 -4.60 118.16 124.56 3i8i n LYS 35 Ca 0.42 1.36 -0.08 0.00 -2.02 0.00 0.00 58.31 57.99 3i8i n LYS 35 Cb 0.47 -2.11 0.04 0.00 -0.02 0.00 0.00 35.03 33.42 3i8i n LYS 35 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i8i n PRO 36 N -3.47 0.24 -4.01 1.97 -0.02 -1.26 -3.03 135.00 125.44 3i8i n PRO 36 Ca -0.03 -0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 60.51 3i8i n PRO 36 Cb 0.38 -0.26 -0.08 0.00 -0.02 0.00 0.00 33.50 33.52 3i8i n PRO 36 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i8i s LEU 37 N 0.00 1.41 -0.01 2.45 1.43 -1.19 -4.71 118.68 118.06 3i8i s LEU 37 Ca 0.22 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 3i8i s LEU 37 Cb -0.01 0.82 -0.07 0.00 0.03 0.00 0.00 46.19 46.96 3i8i s LEU 37 CO 0.15 -0.79 1.72 -0.75 0.23 0.00 0.00 176.35 176.91 3i8i s LYS 38 N -3.97 4.18 -0.77 1.70 2.20 -1.26 -2.60 119.74 119.22 3i8i s LYS 38 Ca 0.16 2.31 -0.13 0.00 -0.36 0.00 0.00 55.97 57.95 3i8i s LYS 38 Cb 0.05 -3.94 0.20 0.00 -1.51 0.00 0.00 37.83 32.63 3i8i s LYS 38 CO -0.02 -0.84 0.70 0.21 -0.36 0.00 0.00 175.35 175.03 3i8i s LYS 39 N 3.82 3.43 -0.59 4.03 2.20 -1.26 -4.86 119.74 126.51 3i8i s LYS 39 Ca 0.77 -2.36 -0.29 0.00 -0.36 0.00 0.00 55.97 53.73 3i8i s LYS 39 Cb -0.37 -4.35 -0.12 0.00 -1.51 0.00 0.00 37.83 31.48 3i8i s LYS 39 CO 0.33 -1.29 2.44 2.41 -0.36 0.00 0.00 175.35 178.88 3i8i n THR 40 N 4.12 0.01 -2.59 3.43 -1.04 -1.26 -4.87 114.28 112.08 3i8i n THR 40 Ca 0.09 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 3i8i n THR 40 Cb 0.45 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 3i8i n THR 40 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3i8i s GLY 41 N 10.25 1.05 -0.14 3.41 0.00 -1.26 -4.98 107.32 115.65 3i8i s GLY 41 Ca 1.11 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 3i8i s GLY 41 CO 0.37 2.52 -0.10 -0.32 0.00 0.00 0.00 173.10 175.58 3i8i s GLY 42 N 3.30 0.98 -0.05 0.20 0.00 -1.26 -5.02 107.32 105.47 3i8i s GLY 42 Ca 0.38 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 44.37 3i8i s GLY 42 CO 0.20 0.71 0.78 -0.96 0.00 0.00 0.00 173.10 173.83 3i8i n ARG 43 N 4.86 1.61 0.00 2.90 -4.01 -1.26 -4.89 116.66 115.87 3i8i n ARG 43 Ca -0.14 -0.54 0.00 0.00 -1.04 0.00 0.00 57.85 56.13 3i8i n ARG 43 Cb 0.50 -1.57 0.00 0.00 -3.04 0.00 0.00 32.46 28.34 3i8i n ARG 43 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 3i8i n ASN 44 N 0.12 0.00 -2.91 2.89 2.04 -1.26 -4.42 115.26 111.72 3i8i n ASN 44 Ca 0.06 0.00 -0.05 0.00 -0.44 0.00 0.00 54.58 54.15 3i8i n ASN 44 Cb 0.46 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.75 3i8i n ASN 44 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3i8i n ASN 45 N 0.00 -1.95 -4.56 0.53 6.94 -1.23 -4.79 115.26 110.21 3i8i n ASN 45 Ca 0.00 -0.30 -0.20 0.00 -0.02 0.00 0.00 54.58 54.06 3i8i n ASN 45 Cb 0.00 -0.16 -0.06 0.00 -2.36 0.00 0.00 39.78 37.20 3i8i n ASN 45 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3i8i s GLN 46 N -3.35 1.76 0.00 -3.83 -0.21 -1.26 -4.13 119.66 108.64 3i8i s GLN 46 Ca 0.11 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.20 3i8i s GLN 46 Cb -0.02 -4.74 0.00 0.00 1.00 0.00 0.00 33.01 29.26 3i8i s GLN 46 CO 0.09 -4.10 0.00 0.41 -2.12 0.00 0.00 175.29 169.57 3i8i n GLY 47 N 6.59 1.43 0.64 3.09 0.00 -1.26 -5.04 105.19 110.64 3i8i n GLY 47 Ca 0.44 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 3i8i n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 48 N 0.00 -1.87 -4.45 1.61 5.12 -1.26 -5.03 116.66 110.78 3i8i n ARG 48 Ca 0.00 -0.31 -0.34 0.00 -1.93 0.00 0.00 57.85 55.27 3i8i n ARG 48 Cb 0.00 -0.33 -0.14 0.00 -1.16 0.00 0.00 32.46 30.83 3i8i n ARG 48 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3i8i s ILE 49 N -1.31 3.22 -1.83 0.55 -4.36 -1.26 -3.47 121.20 112.73 3i8i s ILE 49 Ca 0.13 -0.58 0.15 0.00 -0.26 0.00 0.00 60.65 60.09 3i8i s ILE 49 Cb -0.02 -2.39 0.15 0.00 1.25 0.00 0.00 42.46 41.45 3i8i s ILE 49 CO 0.11 0.49 1.02 0.35 0.24 0.00 0.00 174.94 177.15 3i8i n THR 50 N 3.92 0.11 -3.41 8.37 -2.24 -1.26 -4.84 114.28 114.93 3i8i n THR 50 Ca -0.18 -0.55 -0.17 0.00 -2.27 0.00 0.00 64.05 60.88 3i8i n THR 50 Cb 0.52 1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 69.88 3i8i n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i8i s VAL 51 N -1.23 -0.40 0.79 2.28 1.01 -1.26 -5.02 120.40 116.55 3i8i s VAL 51 Ca 0.19 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 3i8i s VAL 51 Cb 0.13 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.64 3i8i s VAL 51 CO 0.19 -0.42 1.22 0.54 0.00 0.00 0.00 175.10 176.64 3i8i n ARG 52 N 5.31 0.32 -1.83 2.72 1.74 -1.26 -3.94 116.66 119.73 3i8i n ARG 52 Ca -0.03 0.18 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 3i8i n ARG 52 Cb 0.47 -2.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.41 3i8i n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i8i n PHE 53 N -3.09 -0.33 -4.14 -1.55 3.72 -1.26 -5.00 117.46 105.80 3i8i n PHE 53 Ca 0.14 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.25 3i8i n PHE 53 Cb 0.50 -3.10 -0.08 0.00 -0.94 0.00 0.00 39.48 35.87 3i8i n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3i8i s ARG 54 N -4.01 2.55 0.00 -1.08 1.81 -1.25 -0.22 118.95 116.75 3i8i s ARG 54 Ca 0.00 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.09 3i8i s ARG 54 Cb 0.00 -2.50 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 3i8i s ARG 54 CO 0.00 0.51 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 3i8i n GLY 55 N 0.24 4.13 7.00 -3.53 0.00 -0.71 -4.79 105.19 107.54 3i8i n GLY 55 Ca -0.10 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3i8i n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 56 N -1.70 0.09 0.00 -0.02 0.00 -1.26 -4.06 105.19 98.23 3i8i n GLY 56 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3i8i n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 57 N 0.00 -1.21 3.47 -0.02 0.00 -1.16 -4.26 105.19 102.01 3i8i n GLY 57 Ca 0.00 -1.24 -0.50 0.00 0.00 0.00 0.00 46.02 44.28 3i8i n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i8i n HIS 58 N 0.44 0.25 -1.55 1.61 -0.00 -0.56 -4.82 115.22 110.59 3i8i n HIS 58 Ca 0.00 0.91 -0.37 0.00 -0.00 0.00 0.00 57.72 58.27 3i8i n HIS 58 Cb 0.00 -2.07 0.07 0.00 -0.00 0.00 0.00 29.99 27.99 3i8i n HIS 58 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 3i8i n LYS 59 N 1.21 0.81 -3.63 1.57 4.81 -1.26 -4.99 118.16 116.67 3i8i n LYS 59 Ca 0.17 0.33 -0.12 0.00 -0.87 0.00 0.00 58.31 57.82 3i8i n LYS 59 Cb 0.22 -2.33 -0.07 0.00 0.02 0.00 0.00 35.03 32.87 3i8i n LYS 59 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3i8i s ARG 60 N -3.23 0.79 -0.00 1.64 3.52 -1.26 -5.15 118.95 115.26 3i8i s ARG 60 Ca 0.78 1.03 -0.22 0.00 -0.13 0.00 0.00 55.73 57.19 3i8i s ARG 60 Cb -0.37 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.30 3i8i s ARG 60 CO 0.45 -0.11 0.64 -0.51 -0.81 0.00 0.00 175.30 174.97 3i8i s LEU 61 N 0.66 4.41 0.87 -0.88 2.01 -1.26 -4.37 118.68 120.13 3i8i s LEU 61 Ca -0.02 1.22 -0.12 0.00 0.01 0.00 0.00 54.13 55.22 3i8i s LEU 61 Cb -0.05 -3.00 0.12 0.00 0.01 0.00 0.00 46.19 43.26 3i8i s LEU 61 CO -0.04 0.06 1.10 -0.47 1.01 0.00 0.00 176.35 178.01 3i8i s TYR 62 N -0.06 2.53 -0.23 0.29 6.04 -1.07 -4.84 117.35 120.01 3i8i s TYR 62 Ca 0.33 1.09 -0.02 0.00 0.04 0.00 0.00 57.07 58.51 3i8i s TYR 62 Cb -0.19 -3.21 0.07 0.00 -1.04 0.00 0.00 41.96 37.60 3i8i s TYR 62 CO 0.18 -2.21 0.05 1.03 -1.54 0.00 0.00 175.55 173.07 3i8i s ARG 63 N -5.10 0.67 -0.99 4.97 3.00 -1.26 -3.20 118.95 117.04 3i8i s ARG 63 Ca 0.63 -0.59 -0.24 0.00 0.00 0.00 0.00 55.73 55.54 3i8i s ARG 63 Cb -0.16 -2.05 -0.04 0.00 0.00 0.00 0.00 34.95 32.71 3i8i s ARG 63 CO 0.55 -0.74 1.86 -1.50 0.00 0.00 0.00 175.30 175.48 3i8i s ILE 64 N 1.81 3.57 0.72 1.52 2.07 -1.26 -4.97 121.20 124.65 3i8i s ILE 64 Ca 0.02 -0.61 -0.11 0.00 -1.41 0.00 0.00 60.65 58.53 3i8i s ILE 64 Cb -0.17 -4.33 0.02 0.00 0.13 0.00 0.00 42.46 38.11 3i8i s ILE 64 CO -0.13 -1.16 1.09 0.27 -1.91 0.00 0.00 174.94 173.10 3i8i s ILE 65 N 9.23 3.54 -0.73 2.00 -0.00 -1.26 -4.55 121.20 129.42 3i8i s ILE 65 Ca 0.65 0.50 -0.16 0.00 -0.00 0.00 0.00 60.65 61.64 3i8i s ILE 65 Cb -0.04 -3.43 0.16 0.00 -0.00 0.00 0.00 42.46 39.15 3i8i s ILE 65 CO 0.01 -0.65 0.75 -0.62 -0.00 0.00 0.00 174.94 174.43 3i8i s ASP 66 N -4.23 6.51 0.00 4.36 2.15 -0.20 -4.87 116.67 120.38 3i8i s ASP 66 Ca 0.58 -2.16 0.14 0.00 0.43 0.00 0.00 52.55 51.55 3i8i s ASP 66 Cb -0.12 -2.26 0.47 0.00 -0.30 0.00 0.00 42.92 40.71 3i8i s ASP 66 CO 0.53 -0.81 1.36 0.49 -0.17 0.00 0.00 175.17 176.56 3i8i n PHE 67 N 5.08 0.37 -3.52 -5.34 0.99 -1.26 -4.53 117.46 109.25 3i8i n PHE 67 Ca 0.05 -0.19 -0.24 0.00 -0.00 0.00 0.00 57.45 57.07 3i8i n PHE 67 Cb 0.45 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.79 3i8i n PHE 67 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3i8i s LYS 68 N -1.63 0.18 0.00 -1.08 -2.85 -1.26 0.06 119.74 113.17 3i8i s LYS 68 Ca 0.26 -0.19 0.25 0.00 -1.00 0.00 0.00 55.97 55.30 3i8i s LYS 68 Cb 0.14 -1.24 0.59 0.00 -2.06 0.00 0.00 37.83 35.26 3i8i s LYS 68 CO 0.19 -0.86 1.46 0.54 0.10 0.00 0.00 175.35 176.78 3i8i n ARG 69 N 5.28 0.41 0.00 1.78 1.74 -1.26 -3.77 116.66 120.84 3i8i n ARG 69 Ca -0.05 -0.25 0.03 0.00 -0.77 0.00 0.00 57.85 56.81 3i8i n ARG 69 Cb 0.46 -1.49 0.15 0.00 -1.02 0.00 0.00 32.46 30.55 3i8i n ARG 69 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3i8i n TRP 70 N -1.08 0.00 0.18 -1.55 2.14 -1.26 -1.86 117.44 114.00 3i8i n TRP 70 Ca 0.09 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.79 3i8i n TRP 70 Cb 0.34 -0.08 0.71 0.00 -0.81 0.00 0.00 31.31 31.48 3i8i n TRP 70 CO 0.00 0.00 0.00 0.22 2.07 0.00 0.00 177.69 179.98 3i8i h ASP 71 N 0.00 0.00 -0.60 -0.67 3.58 -1.96 -3.14 116.42 113.63 3i8i h ASP 71 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 3i8i h ASP 71 Cb 0.01 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 40.66 3i8i h ASP 71 CO 0.00 0.00 -1.08 0.29 -2.88 0.00 0.00 179.24 175.57 3i8i n LYS 72 N -4.31 1.95 -1.64 0.28 4.76 -0.78 -5.09 118.16 113.33 3i8i n LYS 72 Ca 0.02 -3.59 -0.56 0.00 -2.87 0.00 0.00 58.31 51.31 3i8i n LYS 72 Cb 0.28 -1.66 -0.07 0.00 -1.84 0.00 0.00 35.03 31.74 3i8i n LYS 72 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3i8i n VAL 73 N -0.53 0.12 0.00 -0.18 0.24 -1.19 -1.18 118.33 115.61 3i8i n VAL 73 Ca 0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3i8i n VAL 73 Cb 0.82 -0.90 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 3i8i n VAL 73 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8i n GLY 74 N 3.17 3.07 3.68 7.63 0.00 -0.90 -5.01 105.19 116.82 3i8i n GLY 74 Ca 0.22 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 3i8i n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8i s ILE 75 N -0.71 4.44 0.67 -0.61 1.01 -0.32 -4.91 121.20 120.77 3i8i s ILE 75 Ca 0.00 1.74 -0.09 0.00 0.00 0.00 0.00 60.65 62.30 3i8i s ILE 75 Cb 0.00 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3i8i s ILE 75 CO 0.00 -0.06 1.03 -2.16 0.00 0.00 0.00 174.94 173.75 3i8i s PRO 76 N 2.63 2.74 0.01 2.79 0.04 -1.26 -4.47 135.00 137.49 3i8i s PRO 76 Ca 0.52 0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.67 3i8i s PRO 76 Cb -0.21 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.21 3i8i s PRO 76 CO 0.17 -0.98 0.17 0.00 0.04 0.00 0.00 177.00 176.40 3i8i s ALA 77 N -3.24 -0.37 -0.25 8.56 0.00 0.15 -2.64 121.76 123.97 3i8i s ALA 77 Ca 0.57 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 3i8i s ALA 77 Cb -0.11 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3i8i s ALA 77 CO 0.48 -0.27 0.09 0.21 0.00 0.00 0.00 175.76 176.28 3i8i s LYS 78 N -1.83 3.74 -0.33 0.00 2.20 0.12 0.25 119.74 123.89 3i8i s LYS 78 Ca -0.11 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 54.79 3i8i s LYS 78 Cb -0.05 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3i8i s LYS 78 CO -0.00 -0.15 2.26 0.08 -0.36 0.00 0.00 175.35 177.19 3i8i s VAL 79 N 1.53 3.03 0.12 4.02 1.01 0.11 -0.63 120.40 129.59 3i8i s VAL 79 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3i8i s VAL 79 Cb -0.15 -3.06 -0.21 0.00 0.00 0.00 0.00 36.38 32.96 3i8i s VAL 79 CO 0.05 -0.04 1.27 0.00 0.00 0.00 0.00 175.10 176.38 3i8i h ALA 80 N 16.60 0.33 -2.40 5.51 0.00 -1.36 -2.07 119.26 135.88 3i8i h ALA 80 Ca -0.34 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 53.74 3i8i h ALA 80 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i8i h ALA 80 CO 1.04 0.99 0.11 0.00 0.00 0.00 0.00 179.25 181.39 3i8i n ALA 81 N -2.47 -0.73 -3.56 0.00 0.00 -0.43 -4.79 120.51 108.53 3i8i n ALA 81 Ca -0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 3i8i n ALA 81 Cb 0.91 0.41 -0.13 0.00 0.00 0.00 0.00 19.45 20.63 3i8i n ALA 81 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i8i s ILE 82 N -2.63 -0.34 0.15 0.00 1.01 -1.26 -1.88 121.20 116.25 3i8i s ILE 82 Ca 0.06 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.81 3i8i s ILE 82 Cb -0.02 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 3i8i s ILE 82 CO 0.05 -0.07 -0.10 -1.83 0.00 0.00 0.00 174.94 172.98 3i8i s GLU 83 N 2.35 1.09 0.35 2.79 -1.05 0.13 -0.67 118.70 123.69 3i8i s GLU 83 Ca 0.05 -1.47 -0.28 0.00 -0.15 0.00 0.00 54.97 53.12 3i8i s GLU 83 Cb -0.14 -0.66 -0.11 0.00 -0.44 0.00 0.00 34.13 32.78 3i8i s GLU 83 CO -0.10 0.08 1.42 -0.47 0.95 0.00 0.00 175.26 177.14 3i8i s TYR 84 N -3.30 2.78 -0.30 4.83 5.04 -1.26 -2.00 117.35 123.13 3i8i s TYR 84 Ca 0.17 1.23 -0.03 0.00 -2.44 0.00 0.00 57.07 56.01 3i8i s TYR 84 Cb 0.02 -3.89 0.10 0.00 0.35 0.00 0.00 41.96 38.54 3i8i s TYR 84 CO 0.01 -2.60 0.13 0.34 -1.34 0.00 0.00 175.55 172.09 3i8i s ASP 85 N -0.21 3.62 0.00 4.32 -1.08 -1.26 -4.85 116.67 117.21 3i8i s ASP 85 Ca 0.52 -1.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.08 3i8i s ASP 85 Cb -0.44 -0.49 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 3i8i s ASP 85 CO 0.58 -0.42 0.22 -0.81 0.52 0.00 0.00 175.17 175.26 3i8i n PRO 86 N 5.03 0.22 -0.12 4.34 -0.04 -1.26 -2.37 135.00 140.79 3i8i n PRO 86 Ca -0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3i8i n PRO 86 Cb 0.41 -1.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.01 3i8i n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i8i n ASN 87 N -0.50 2.72 -3.76 3.54 3.02 -1.26 -5.00 115.26 114.01 3i8i n ASN 87 Ca 0.00 -1.82 -0.09 0.00 -0.03 0.00 0.00 54.58 52.65 3i8i n ASN 87 Cb 0.00 -0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 3i8i n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8i s ARG 88 N -1.06 1.61 0.10 3.52 1.70 -1.00 -5.04 118.95 118.77 3i8i s ARG 88 Ca 0.23 -0.89 -0.03 0.00 -0.47 0.00 0.00 55.73 54.58 3i8i s ARG 88 Cb 0.13 0.58 -0.22 0.00 -0.57 0.00 0.00 34.95 34.88 3i8i s ARG 88 CO 0.19 -0.72 1.21 0.66 -1.08 0.00 0.00 175.30 175.55 3i8i h SER 89 N 2.05 0.39 -4.06 -2.89 4.64 -1.90 -3.45 113.55 108.32 3i8i h SER 89 Ca -0.24 -0.39 -0.44 0.00 -0.47 0.00 0.00 61.79 60.25 3i8i h SER 89 Cb 1.26 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3i8i h SER 89 CO 0.29 1.27 0.35 0.00 -0.87 0.00 0.00 176.83 177.86 3i8i s ALA 90 N -2.82 3.02 0.16 5.18 0.00 -1.26 -4.56 121.76 121.49 3i8i s ALA 90 Ca -0.04 0.42 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 3i8i s ALA 90 Cb 0.08 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 3i8i s ALA 90 CO 0.87 0.08 0.63 1.03 0.00 0.00 0.00 175.76 178.38 3i8i s ARG 91 N -3.17 4.16 0.05 0.00 1.81 -1.26 -4.63 118.95 115.91 3i8i s ARG 91 Ca 0.62 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 55.36 3i8i s ARG 91 Cb -0.10 -2.98 -0.04 0.00 -0.45 0.00 0.00 34.95 31.38 3i8i s ARG 91 CO 0.14 0.48 0.17 0.96 -0.68 0.00 0.00 175.30 176.37 3i8i s ILE 92 N -1.41 5.16 -0.22 1.52 -5.25 -0.85 -0.59 121.20 119.57 3i8i s ILE 92 Ca 0.38 -0.44 -0.08 0.00 -0.99 0.00 0.00 60.65 59.52 3i8i s ILE 92 Cb -0.17 -3.49 -0.04 0.00 2.95 0.00 0.00 42.46 41.72 3i8i s ILE 92 CO 0.20 0.18 0.09 0.00 -1.79 0.00 0.00 174.94 173.62 3i8i s ALA 93 N -1.43 3.34 -0.10 2.27 0.00 -0.24 0.18 121.76 125.79 3i8i s ALA 93 Ca 0.32 -0.95 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 3i8i s ALA 93 Cb -0.13 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3i8i s ALA 93 CO 0.24 -0.20 0.74 -1.17 0.00 0.00 0.00 175.76 175.38 3i8i s LEU 94 N 1.08 4.27 0.09 0.00 1.98 -0.79 -1.35 118.68 123.95 3i8i s LEU 94 Ca 0.05 1.18 0.06 0.00 -2.89 0.00 0.00 54.13 52.53 3i8i s LEU 94 Cb -0.14 -3.13 -0.03 0.00 0.66 0.00 0.00 46.19 43.54 3i8i s LEU 94 CO 0.04 -0.21 -0.15 -1.48 -1.89 0.00 0.00 176.35 172.65 3i8i s LEU 95 N 1.26 2.30 -0.32 -0.68 0.05 0.18 -0.94 118.68 120.53 3i8i s LEU 95 Ca 0.38 -0.66 -0.08 0.00 0.05 0.00 0.00 54.13 53.82 3i8i s LEU 95 Cb -0.17 -0.59 0.02 0.00 -2.05 0.00 0.00 46.19 43.39 3i8i s LEU 95 CO 0.17 -0.06 0.12 -1.00 -0.55 0.00 0.00 176.35 175.03 3i8i s HIS 96 N -1.39 3.20 0.68 3.48 3.76 0.19 -1.58 115.29 123.63 3i8i s HIS 96 Ca 0.01 -1.03 -0.11 0.00 -0.15 0.00 0.00 55.06 53.78 3i8i s HIS 96 Cb -0.09 -2.31 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 3i8i s HIS 96 CO 0.03 -0.61 1.06 0.71 -0.85 0.00 0.00 174.74 175.08 3i8i s TYR 97 N 1.50 3.38 -0.58 1.40 1.51 0.86 0.13 117.35 125.55 3i8i s TYR 97 Ca 0.02 1.21 0.25 0.00 -1.01 0.00 0.00 57.07 57.54 3i8i s TYR 97 Cb -0.18 -2.90 0.74 0.00 -0.11 0.00 0.00 41.96 39.50 3i8i s TYR 97 CO 0.04 -1.04 1.74 0.28 -1.11 0.00 0.00 175.55 175.46 3i8i h VAL 98 N -0.56 0.00 0.00 0.71 2.07 -1.79 -1.70 116.25 114.97 3i8i h VAL 98 Ca -0.45 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3i8i h VAL 98 Cb 1.22 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3i8i h VAL 98 CO 0.62 0.00 0.05 0.44 0.02 0.00 0.00 177.57 178.70 3i8i h ASP 99 N 0.00 0.00 0.00 0.57 3.45 -1.92 -3.43 116.42 115.09 3i8i h ASP 99 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i8i h ASP 99 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3i8i h ASP 99 CO 0.00 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 3i8i n GLY 100 N -1.20 0.67 3.68 2.75 0.00 -0.64 -5.03 105.19 105.42 3i8i n GLY 100 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3i8i n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8i s GLU 101 N -0.74 4.40 -0.15 1.61 2.12 -1.24 -4.79 118.70 119.91 3i8i s GLU 101 Ca 0.00 1.33 -0.08 0.00 0.36 0.00 0.00 54.97 56.58 3i8i s GLU 101 Cb 0.00 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 3i8i s GLU 101 CO 0.00 -0.32 0.13 0.15 -0.54 0.00 0.00 175.26 174.68 3i8i s LYS 102 N 2.06 3.69 0.08 4.30 1.02 -1.26 -0.10 119.74 129.53 3i8i s LYS 102 Ca 0.47 -0.18 -0.17 0.00 0.02 0.00 0.00 55.97 56.11 3i8i s LYS 102 Cb -0.18 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3i8i s LYS 102 CO 0.17 0.60 0.41 1.03 -0.92 0.00 0.00 175.35 176.64 3i8i s ARG 103 N -0.51 0.99 -0.05 1.68 0.52 -0.61 -4.76 118.95 116.19 3i8i s ARG 103 Ca 0.12 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 54.80 3i8i s ARG 103 Cb -0.12 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 3i8i s ARG 103 CO 0.02 -0.36 0.12 0.71 0.02 0.00 0.00 175.30 175.81 3i8i s TYR 104 N -3.01 3.45 0.25 -0.53 1.51 -1.26 -0.64 117.35 117.11 3i8i s TYR 104 Ca -0.02 0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.47 3i8i s TYR 104 Cb 0.00 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 3i8i s TYR 104 CO -0.06 0.63 -0.10 -1.50 -1.11 0.00 0.00 175.55 173.41 3i8i s ILE 105 N -1.15 1.73 -0.26 2.71 1.10 -0.46 -1.04 121.20 123.84 3i8i s ILE 105 Ca 0.21 -2.18 -0.25 0.00 -0.51 0.00 0.00 60.65 57.92 3i8i s ILE 105 Cb -0.12 -2.28 -0.00 0.00 0.15 0.00 0.00 42.46 40.21 3i8i s ILE 105 CO 0.11 -0.43 0.84 -0.51 -2.11 0.00 0.00 174.94 172.84 3i8i s ILE 106 N -2.97 4.81 -0.10 2.00 2.07 -1.26 -1.08 121.20 124.67 3i8i s ILE 106 Ca 0.27 1.50 -0.29 0.00 -1.41 0.00 0.00 60.65 60.72 3i8i s ILE 106 Cb 0.01 -4.14 -0.07 0.00 0.13 0.00 0.00 42.46 38.39 3i8i s ILE 106 CO 0.10 -0.13 2.11 0.00 -1.91 0.00 0.00 174.94 175.10 3i8i n ALA 107 N 6.10 1.66 -1.92 1.50 0.00 0.24 -4.78 120.51 123.31 3i8i n ALA 107 Ca 0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 3i8i n ALA 107 Cb 0.48 -2.80 0.10 0.00 0.00 0.00 0.00 19.45 17.22 3i8i n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i8i s PRO 108 N 5.45 1.85 0.10 0.00 0.04 -1.25 -4.33 135.00 136.86 3i8i s PRO 108 Ca 0.96 -0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.47 3i8i s PRO 108 Cb -0.40 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 3i8i s PRO 108 CO 0.39 -1.55 1.44 0.34 0.04 0.00 0.00 177.00 177.67 3i8i s ASP 109 N -4.61 6.77 0.00 6.66 3.68 -0.30 -3.52 116.67 125.35 3i8i s ASP 109 Ca 0.63 2.36 0.00 0.00 2.13 0.00 0.00 52.55 57.67 3i8i s ASP 109 Cb -0.09 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 3i8i s ASP 109 CO 0.47 -0.71 0.00 0.61 0.13 0.00 0.00 175.17 175.67 3i8i n GLY 110 N 3.60 2.42 0.00 2.66 0.00 -1.26 -4.82 105.19 107.79 3i8i n GLY 110 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3i8i n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8i n LEU 111 N 0.00 0.00 -4.74 0.99 -0.00 -1.23 -4.86 117.00 107.16 3i8i n LEU 111 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3i8i n LEU 111 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 3i8i n LEU 111 CO 0.00 0.00 -0.26 -1.10 -0.00 0.00 0.00 177.39 176.03 3i8i s GLN 112 N 0.00 2.66 0.55 1.96 1.11 -1.26 -4.93 119.66 119.75 3i8i s GLN 112 Ca 0.00 -1.05 -0.21 0.00 0.01 0.00 0.00 55.36 54.10 3i8i s GLN 112 Cb 0.00 -2.47 -0.05 0.00 -1.01 0.00 0.00 33.01 29.48 3i8i s GLN 112 CO 0.00 0.44 1.35 0.08 0.01 0.00 0.00 175.29 177.17 3i8i s VAL 113 N -1.88 2.10 0.00 1.09 1.01 -1.26 -2.44 120.40 119.01 3i8i s VAL 113 Ca 0.30 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3i8i s VAL 113 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3i8i s VAL 113 CO 0.22 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3i8i n GLY 114 N 0.73 3.11 3.57 4.51 0.00 -0.78 -5.02 105.19 111.31 3i8i n GLY 114 Ca 0.11 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3i8i n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i8i n GLN 115 N 0.00 0.93 -2.61 1.61 7.27 -1.02 -4.59 117.38 118.96 3i8i n GLN 115 Ca 0.00 0.35 -0.22 0.00 0.07 0.00 0.00 57.00 57.20 3i8i n GLN 115 Cb 0.00 -1.97 0.06 0.00 2.41 0.00 0.00 30.24 30.73 3i8i n GLN 115 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 3i8i s GLN 116 N -2.29 2.32 -0.11 3.69 2.00 -1.26 0.04 119.66 124.06 3i8i s GLN 116 Ca 0.69 -0.85 -0.30 0.00 -2.00 0.00 0.00 55.36 52.91 3i8i s GLN 116 Cb -0.48 -2.44 0.12 0.00 0.80 0.00 0.00 33.01 31.01 3i8i s GLN 116 CO 0.53 -0.91 0.95 0.54 -0.50 0.00 0.00 175.29 175.89 3i8i s VAL 117 N -2.87 0.00 0.04 1.34 0.11 0.14 -4.76 120.40 114.39 3i8i s VAL 117 Ca 0.60 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.37 3i8i s VAL 117 Cb -0.09 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.85 3i8i s VAL 117 CO 0.40 0.00 0.82 0.54 -3.33 0.00 0.00 175.10 173.54 3i8i s VAL 118 N -1.75 0.00 -0.01 2.04 0.11 -1.26 0.31 120.40 119.84 3i8i s VAL 118 Ca -0.00 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3i8i s VAL 118 Cb -0.01 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 3i8i s VAL 118 CO -0.01 0.00 -0.04 0.00 -3.33 0.00 0.00 175.10 171.72 3i8i s ALA 119 N -3.27 0.37 0.00 1.54 0.00 -1.26 -2.74 121.76 116.40 3i8i s ALA 119 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3i8i s ALA 119 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3i8i s ALA 119 CO -0.10 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3i8i n GLY 120 N 3.23 1.81 0.33 0.00 0.00 0.23 -2.13 105.19 108.66 3i8i n GLY 120 Ca -0.16 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 44.87 3i8i n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i8i h PRO 121 N 0.00 0.46 0.00 1.61 0.11 -1.95 -2.98 132.00 129.24 3i8i h PRO 121 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3i8i h PRO 121 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3i8i h PRO 121 CO 0.00 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 177.70 3i8i n ASP 122 N -4.97 0.00 -0.40 -2.05 3.85 -1.26 -4.92 116.55 106.81 3i8i n ASP 122 Ca 0.26 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.34 3i8i n ASP 122 Cb 0.77 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 3i8i n ASP 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i8i n ALA 123 N -3.00 -1.00 -1.77 2.12 0.00 -1.13 -4.83 120.51 110.90 3i8i n ALA 123 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3i8i n ALA 123 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3i8i n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i8i s PRO 124 N 0.00 4.23 -1.14 0.00 0.04 -1.26 -4.86 135.00 132.01 3i8i s PRO 124 Ca 0.00 2.00 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 3i8i s PRO 124 Cb 0.00 -2.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.58 3i8i s PRO 124 CO 0.00 -0.22 1.91 0.42 0.04 0.00 0.00 177.00 179.15 3i8i s ILE 125 N -1.26 3.59 0.01 0.56 -1.09 -1.26 -4.80 121.20 116.94 3i8i s ILE 125 Ca 0.52 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3i8i s ILE 125 Cb -0.35 -4.54 -0.01 0.00 -1.58 0.00 0.00 42.46 35.98 3i8i s ILE 125 CO 0.45 -1.10 -0.04 -1.10 -1.23 0.00 0.00 174.94 171.92 3i8i s GLN 126 N 6.32 0.30 -0.33 2.79 -0.21 -1.26 -5.09 119.66 122.17 3i8i s GLN 126 Ca 0.67 -0.26 -0.45 0.00 0.02 0.00 0.00 55.36 55.34 3i8i s GLN 126 Cb -0.01 -0.22 -0.20 0.00 1.00 0.00 0.00 33.01 33.58 3i8i s GLN 126 CO 0.10 0.05 1.42 0.28 -2.12 0.00 0.00 175.29 175.02 3i8i n VAL 127 N 2.64 0.00 0.00 1.09 0.31 -1.26 -0.98 118.33 120.12 3i8i n VAL 127 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3i8i n VAL 127 Cb 0.58 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 3i8i n VAL 127 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8i n GLY 128 N 3.17 3.08 3.82 2.92 0.00 -0.87 -4.85 105.19 112.46 3i8i n GLY 128 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 3i8i n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i8i s ASN 129 N -1.19 7.03 -0.07 1.61 0.01 -0.15 -4.52 114.94 117.65 3i8i s ASN 129 Ca 0.00 1.27 0.04 0.00 -0.71 0.00 0.00 52.86 53.46 3i8i s ASN 129 Cb 0.00 -2.36 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 3i8i s ASN 129 CO 0.00 0.18 -0.19 0.00 -1.51 0.00 0.00 177.10 175.58 3i8i s ALA 130 N -1.28 2.41 0.09 0.60 0.00 -1.11 -1.17 121.76 121.30 3i8i s ALA 130 Ca 0.34 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 3i8i s ALA 130 Cb -0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 3i8i s ALA 130 CO 0.20 0.41 0.12 -0.51 0.00 0.00 0.00 175.76 175.98 3i8i s LEU 131 N -0.18 1.74 0.19 0.00 1.02 -1.12 -0.60 118.68 119.73 3i8i s LEU 131 Ca -0.02 -0.84 -0.32 0.00 0.02 0.00 0.00 54.13 52.98 3i8i s LEU 131 Cb -0.14 0.72 -0.11 0.00 0.02 0.00 0.00 46.19 46.69 3i8i s LEU 131 CO 0.03 -0.71 1.62 -2.84 0.02 0.00 0.00 176.35 174.48 3i8i s PRO 132 N -3.91 4.18 0.30 1.29 0.02 -1.26 -1.65 135.00 133.98 3i8i s PRO 132 Ca 0.09 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.59 3i8i s PRO 132 Cb 0.06 -3.11 0.75 0.00 0.02 0.00 0.00 34.50 32.22 3i8i s PRO 132 CO -0.08 -0.65 1.54 1.28 -0.33 0.00 0.00 177.00 178.75 3i8i n LEU 133 N 3.76 -0.11 -0.24 -5.54 4.77 0.31 -1.04 117.00 118.91 3i8i n LEU 133 Ca 0.14 1.66 0.00 0.00 -0.03 0.00 0.00 56.01 57.79 3i8i n LEU 133 Cb 0.37 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3i8i n LEU 133 CO 0.62 -1.69 0.38 0.54 -1.33 0.00 0.00 177.39 175.92 3i8i n ARG 134 N -5.46 -0.13 -0.19 3.23 1.74 -0.49 0.80 116.66 116.16 3i8i n ARG 134 Ca 0.23 0.98 0.05 0.00 -0.77 0.00 0.00 57.85 58.34 3i8i n ARG 134 Cb 0.76 -1.46 0.15 0.00 -1.02 0.00 0.00 32.46 30.89 3i8i n ARG 134 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i8i n PHE 135 N -4.96 0.48 -3.52 -1.55 0.99 -0.20 -4.85 117.46 103.85 3i8i n PHE 135 Ca 0.07 -0.23 -0.37 0.00 -0.00 0.00 0.00 57.45 56.93 3i8i n PHE 135 Cb 0.27 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 38.66 3i8i n PHE 135 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3i8i s ILE 136 N -1.57 5.26 0.00 4.37 1.09 0.24 -5.00 121.20 125.59 3i8i s ILE 136 Ca 0.22 0.63 -0.33 0.00 -1.10 0.00 0.00 60.65 60.07 3i8i s ILE 136 Cb 0.12 -3.66 -0.12 0.00 -1.06 0.00 0.00 42.46 37.74 3i8i s ILE 136 CO 0.15 0.42 1.81 -2.65 -0.10 0.00 0.00 174.94 174.57 3i8i n PRO 137 N 3.24 2.28 -1.48 2.79 -0.02 -1.26 -4.92 135.00 135.63 3i8i n PRO 137 Ca -0.12 0.83 -0.45 0.00 -2.02 0.00 0.00 63.50 61.75 3i8i n PRO 137 Cb 0.52 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 3i8i n PRO 137 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3i8i n VAL 138 N 4.71 1.87 0.00 -1.45 3.14 -1.26 -1.04 118.33 124.30 3i8i n VAL 138 Ca 0.21 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3i8i n VAL 138 Cb 0.31 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 3i8i n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8i n GLY 139 N 1.67 2.90 3.77 7.55 0.00 0.39 -4.99 105.19 116.48 3i8i n GLY 139 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3i8i n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8i s THR 140 N -1.02 2.52 0.62 2.61 -4.23 -0.21 -4.57 115.64 111.35 3i8i s THR 140 Ca 0.00 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 3i8i s THR 140 Cb 0.00 -3.31 0.01 0.00 1.34 0.00 0.00 72.50 70.54 3i8i s THR 140 CO 0.00 0.10 0.95 0.68 -0.54 0.00 0.00 174.62 175.81 3i8i s VAL 141 N -1.18 3.59 -0.07 2.29 -7.23 -1.26 -2.98 120.40 113.56 3i8i s VAL 141 Ca 0.53 0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.52 3i8i s VAL 141 Cb -0.41 -3.45 0.11 0.00 0.56 0.00 0.00 36.38 33.19 3i8i s VAL 141 CO 0.54 -0.50 0.92 0.54 -0.31 0.00 0.00 175.10 176.29 3i8i s VAL 142 N -3.08 0.00 0.00 1.32 0.11 -0.42 -2.77 120.40 115.56 3i8i s VAL 142 Ca 0.55 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 3i8i s VAL 142 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 3i8i s VAL 142 CO 0.47 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.24 3i8i n HIS 143 N 0.23 0.00 -1.87 1.54 1.44 0.30 -1.09 115.22 115.77 3i8i n HIS 143 Ca -0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 3i8i n HIS 143 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 3i8i n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3i8i n ALA 144 N -3.00 -0.72 -2.40 1.59 0.00 0.11 -3.21 120.51 112.89 3i8i n ALA 144 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3i8i n ALA 144 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3i8i n ALA 144 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8i s VAL 145 N -1.61 4.91 0.39 0.00 1.01 -0.79 -3.80 120.40 120.51 3i8i s VAL 145 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 3i8i s VAL 145 Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3i8i s VAL 145 CO 0.00 -0.02 0.73 -1.61 0.00 0.00 0.00 175.10 174.20 3i8i s GLU 146 N -2.67 3.73 -0.15 2.72 2.02 -1.01 0.24 118.70 123.59 3i8i s GLU 146 Ca 0.46 0.36 0.15 0.00 0.02 0.00 0.00 54.97 55.96 3i8i s GLU 146 Cb -0.12 -2.44 -0.24 0.00 0.10 0.00 0.00 34.13 31.44 3i8i s GLU 146 CO 0.21 -0.00 0.26 -0.11 0.02 0.00 0.00 175.26 175.63 3i8i n LEU 147 N -1.30 0.54 -3.80 1.80 7.94 -1.26 -4.80 117.00 116.12 3i8i n LEU 147 Ca 0.01 0.14 -0.14 0.00 -1.11 0.00 0.00 56.01 54.91 3i8i n LEU 147 Cb 0.54 0.26 -0.15 0.00 0.53 0.00 0.00 43.42 44.60 3i8i n LEU 147 CO 0.48 0.50 -0.34 -1.61 -1.11 0.00 0.00 177.39 175.31 3i8i s GLU 148 N -2.53 -0.01 -0.01 1.96 2.02 -1.26 -4.48 118.70 114.39 3i8i s GLU 148 Ca -0.10 0.14 -0.38 0.00 0.02 0.00 0.00 54.97 54.65 3i8i s GLU 148 Cb 0.07 -0.14 -0.18 0.00 0.10 0.00 0.00 34.13 33.98 3i8i s GLU 148 CO 0.81 -0.11 1.34 -0.35 0.02 0.00 0.00 175.26 176.98 3i8i n PRO 149 N 3.76 0.81 -0.39 0.39 -0.04 -1.26 -1.70 135.00 136.57 3i8i n PRO 149 Ca -0.22 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3i8i n PRO 149 Cb 0.54 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3i8i n PRO 149 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i8i n LYS 150 N 2.73 0.00 -0.08 0.54 4.76 -1.26 -4.87 118.16 119.98 3i8i n LYS 150 Ca 0.20 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.75 3i8i n LYS 150 Cb 0.14 -1.86 0.38 0.00 -1.84 0.00 0.00 35.03 31.85 3i8i n LYS 150 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i8i n LYS 151 N -2.00 1.71 0.00 1.97 5.02 -0.69 -5.03 118.16 119.14 3i8i n LYS 151 Ca 0.00 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 3i8i n LYS 151 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3i8i n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8i n GLY 152 N 1.12 -1.48 3.65 0.72 0.00 -1.26 -4.96 105.19 102.98 3i8i n GLY 152 Ca 0.16 -1.35 -0.46 0.00 0.00 0.00 0.00 46.02 44.37 3i8i n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 153 N -0.34 0.84 -1.23 4.61 0.00 0.11 -4.14 120.51 120.35 3i8i n ALA 153 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3i8i n ALA 153 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.19 3i8i n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8i n LYS 154 N 2.48 0.00 -4.25 0.00 5.02 0.68 -4.87 118.16 117.22 3i8i n LYS 154 Ca 0.14 -0.26 -0.20 0.00 -2.02 0.00 0.00 58.31 55.96 3i8i n LYS 154 Cb 0.29 -0.39 -0.12 0.00 -0.02 0.00 0.00 35.03 34.80 3i8i n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i8i s LEU 155 N 0.00 2.35 -0.64 -0.35 1.02 -0.62 -4.89 118.68 115.55 3i8i s LEU 155 Ca 0.00 -0.74 -0.15 0.00 0.02 0.00 0.00 54.13 53.26 3i8i s LEU 155 Cb 0.00 -0.68 0.02 0.00 0.02 0.00 0.00 46.19 45.55 3i8i s LEU 155 CO 0.00 -0.05 0.60 0.00 0.02 0.00 0.00 176.35 176.91 3i8i n ALA 156 N 0.84 -2.52 -1.33 4.21 0.00 -1.26 -1.88 120.51 118.56 3i8i n ALA 156 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3i8i n ALA 156 Cb 0.55 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3i8i n ALA 156 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i8i n ARG 157 N -1.60 0.00 -3.56 0.00 1.85 -1.26 -0.71 116.66 111.38 3i8i n ARG 157 Ca -0.22 -0.60 -0.37 0.00 -1.00 0.00 0.00 57.85 55.66 3i8i n ARG 157 Cb 0.66 -0.47 -0.07 0.00 -1.05 0.00 0.00 32.46 31.54 3i8i n ARG 157 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i8i s ALA 158 N 0.00 3.65 -0.06 2.89 0.00 -1.26 -4.66 121.76 122.31 3i8i s ALA 158 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 3i8i s ALA 158 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 3i8i s ALA 158 CO 0.00 0.26 0.26 0.00 0.00 0.00 0.00 175.76 176.28 3i8i n ALA 159 N 2.91 -0.47 -1.04 0.00 0.00 -1.26 -0.22 120.51 120.42 3i8i n ALA 159 Ca -0.13 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 3i8i n ALA 159 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 3i8i n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 160 N 0.59 0.45 4.01 0.00 0.00 -0.23 -4.80 105.19 105.21 3i8i n GLY 160 Ca 0.05 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 3i8i n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8i s THR 161 N -1.77 2.98 -0.23 2.61 -4.23 0.69 -4.72 115.64 110.96 3i8i s THR 161 Ca 0.00 -0.98 -0.36 0.00 -1.18 0.00 0.00 61.69 59.17 3i8i s THR 161 Cb 0.00 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.99 3i8i s THR 161 CO 0.00 0.00 1.28 -0.94 -0.54 0.00 0.00 174.62 174.42 3i8i s SER 162 N -4.36 -0.09 0.20 3.99 1.04 -1.26 -0.04 113.70 113.19 3i8i s SER 162 Ca 0.55 -0.00 0.10 0.00 0.48 0.00 0.00 55.95 57.08 3i8i s SER 162 Cb -0.10 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3i8i s SER 162 CO 0.33 -0.15 -0.19 0.00 0.98 0.00 0.00 173.24 174.21 3i8i s ALA 163 N -2.27 2.29 -0.04 5.32 0.00 -0.25 -3.84 121.76 122.97 3i8i s ALA 163 Ca 0.10 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.49 3i8i s ALA 163 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3i8i s ALA 163 CO -0.04 0.26 -0.24 -1.14 0.00 0.00 0.00 175.76 174.60 3i8i s GLN 164 N -3.08 2.35 -0.50 0.00 0.74 -0.24 -1.31 119.66 117.63 3i8i s GLN 164 Ca 0.21 -0.88 -0.28 0.00 0.05 0.00 0.00 55.36 54.46 3i8i s GLN 164 Cb -0.05 -2.14 0.03 0.00 1.10 0.00 0.00 33.01 31.94 3i8i s GLN 164 CO 0.09 0.49 1.12 0.42 -0.55 0.00 0.00 175.29 176.86 3i8i s ILE 165 N -0.44 4.21 -0.36 -2.34 1.01 -1.16 -0.04 121.20 122.08 3i8i s ILE 165 Ca 0.05 1.07 0.23 0.00 0.00 0.00 0.00 60.65 62.00 3i8i s ILE 165 Cb -0.12 -4.61 0.00 0.00 0.01 0.00 0.00 42.46 37.75 3i8i s ILE 165 CO 0.01 -1.06 1.11 -0.61 0.00 0.00 0.00 174.94 174.39 3i8i h GLN 166 N 9.28 0.00 0.00 2.79 5.75 -0.95 1.13 115.11 133.12 3i8i h GLN 166 Ca -0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3i8i h GLN 166 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3i8i h GLN 166 CO 1.13 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 177.72 3i8i n GLY 167 N 1.23 1.85 3.83 2.39 0.00 -1.20 -4.84 105.19 108.45 3i8i n GLY 167 Ca 0.01 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 3i8i n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8i s ARG 168 N -1.95 2.45 -0.38 1.61 1.81 -1.26 0.21 118.95 121.44 3i8i s ARG 168 Ca 0.00 -1.61 0.05 0.00 -1.72 0.00 0.00 55.73 52.45 3i8i s ARG 168 Cb 0.00 -2.26 0.32 0.00 -0.45 0.00 0.00 34.95 32.56 3i8i s ARG 168 CO 0.00 -0.13 1.28 -1.91 -0.68 0.00 0.00 175.30 173.86 3i8i n GLU 169 N -1.43 0.53 0.00 3.54 2.13 0.13 -4.80 120.64 120.74 3i8i n GLU 169 Ca 0.02 -1.24 0.00 0.00 0.66 0.00 0.00 57.16 56.59 3i8i n GLU 169 Cb 0.62 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.80 3i8i n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i8i n GLY 170 N 0.43 0.86 1.12 8.31 0.00 -1.26 -3.95 105.19 110.70 3i8i n GLY 170 Ca -0.01 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.68 3i8i n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8i n ASP 171 N 0.00 3.24 -3.91 1.61 8.00 -1.26 -4.80 116.55 119.43 3i8i n ASP 171 Ca 0.00 -2.31 -0.26 0.00 0.71 0.00 0.00 54.79 52.93 3i8i n ASP 171 Cb 0.00 -0.47 -0.17 0.00 -0.02 0.00 0.00 41.12 40.46 3i8i n ASP 171 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i8i s TYR 172 N -1.77 1.41 0.17 1.24 2.02 -1.25 0.21 117.35 119.38 3i8i s TYR 172 Ca 0.32 -0.66 -0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3i8i s TYR 172 Cb 0.21 -1.16 -0.06 0.00 -0.40 0.00 0.00 41.96 40.54 3i8i s TYR 172 CO 0.15 -0.46 0.47 0.54 -1.57 0.00 0.00 175.55 174.68 3i8i s VAL 173 N 1.55 5.03 -0.18 0.71 0.11 0.11 -0.69 120.40 127.04 3i8i s VAL 173 Ca 0.02 0.33 -0.20 0.00 -2.93 0.00 0.00 61.98 59.20 3i8i s VAL 173 Cb -0.13 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 3i8i s VAL 173 CO -0.06 0.04 0.60 -0.63 -3.33 0.00 0.00 175.10 171.72 3i8i s ILE 174 N -1.68 5.05 0.09 7.04 1.09 0.57 -0.14 121.20 133.22 3i8i s ILE 174 Ca 0.43 1.14 0.07 0.00 -1.10 0.00 0.00 60.65 61.19 3i8i s ILE 174 Cb -0.12 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 3i8i s ILE 174 CO 0.22 0.15 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.35 3i8i s LEU 175 N 1.66 3.03 -0.37 2.97 1.43 0.40 -0.22 118.68 127.57 3i8i s LEU 175 Ca 0.28 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3i8i s LEU 175 Cb -0.16 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.33 3i8i s LEU 175 CO 0.11 0.20 0.15 -0.60 0.23 0.00 0.00 176.35 176.44 3i8i s ARG 176 N -2.04 2.35 0.82 1.70 3.52 0.95 -0.53 118.95 125.71 3i8i s ARG 176 Ca 0.20 -1.50 -0.12 0.00 -0.13 0.00 0.00 55.73 54.18 3i8i s ARG 176 Cb -0.11 -3.51 0.08 0.00 -1.56 0.00 0.00 34.95 29.85 3i8i s ARG 176 CO 0.12 -0.87 1.13 -0.51 -0.81 0.00 0.00 175.30 174.36 3i8i s LEU 177 N 1.28 2.45 0.28 -0.88 1.43 -0.78 -1.08 118.68 121.38 3i8i s LEU 177 Ca 0.02 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 3i8i s LEU 177 Cb -0.22 -3.56 0.64 0.00 0.03 0.00 0.00 46.19 43.09 3i8i s LEU 177 CO -0.01 -2.02 1.74 -0.65 0.23 0.00 0.00 176.35 175.64 3i8i h PRO 178 N -1.13 0.55 -0.20 1.29 0.11 -1.91 0.55 132.00 131.26 3i8i h PRO 178 Ca -0.47 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3i8i h PRO 178 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3i8i h PRO 178 CO 0.63 0.36 0.14 0.66 -0.21 0.00 0.00 178.00 179.58 3i8i h SER 179 N 0.56 0.17 0.00 -2.05 4.64 -1.92 -3.46 113.55 111.50 3i8i h SER 179 Ca 0.52 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3i8i h SER 179 Cb 0.85 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3i8i h SER 179 CO -0.43 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.27 3i8i n GLY 180 N -1.52 0.93 3.83 -0.77 0.00 0.18 -5.00 105.19 102.84 3i8i n GLY 180 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3i8i n GLY 180 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i8i s GLU 181 N -0.35 4.11 -0.58 1.61 -1.05 -1.26 -4.47 118.70 116.71 3i8i s GLU 181 Ca 0.00 1.01 -0.17 0.00 -0.15 0.00 0.00 54.97 55.66 3i8i s GLU 181 Cb 0.00 -2.19 0.12 0.00 -0.44 0.00 0.00 34.13 31.63 3i8i s GLU 181 CO 0.00 -0.10 0.60 -0.51 0.95 0.00 0.00 175.26 176.20 3i8i s LEU 182 N -3.49 5.90 0.12 1.83 1.43 -1.26 -1.86 118.68 121.35 3i8i s LEU 182 Ca 0.60 -1.71 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 3i8i s LEU 182 Cb -0.09 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3i8i s LEU 182 CO 0.20 -0.94 0.32 -0.60 0.23 0.00 0.00 176.35 175.55 3i8i s ARG 183 N 1.95 3.54 -0.15 1.70 6.06 0.31 0.86 118.95 133.22 3i8i s ARG 183 Ca 0.07 -0.25 -0.06 0.00 -2.50 0.00 0.00 55.73 53.00 3i8i s ARG 183 Cb -0.26 -2.92 -0.04 0.00 0.06 0.00 0.00 34.95 31.79 3i8i s ARG 183 CO 0.03 0.51 0.05 0.21 -2.50 0.00 0.00 175.30 173.60 3i8i s LYS 184 N -2.69 3.70 -0.01 5.12 2.20 0.70 0.15 119.74 128.92 3i8i s LYS 184 Ca 0.39 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 3i8i s LYS 184 Cb -0.12 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 3i8i s LYS 184 CO 0.26 0.41 -0.08 0.08 -0.36 0.00 0.00 175.35 175.66 3i8i s VAL 185 N -0.03 0.63 0.71 4.02 1.01 0.81 -4.87 120.40 122.67 3i8i s VAL 185 Ca 0.06 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 3i8i s VAL 185 Cb -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3i8i s VAL 185 CO 0.01 0.18 0.71 1.57 0.00 0.00 0.00 175.10 177.57 3i8i n HIS 186 N 2.90 -0.18 -0.07 5.22 -0.00 -1.26 0.09 115.22 121.91 3i8i n HIS 186 Ca -0.13 0.38 -0.15 0.00 0.46 0.00 0.00 57.72 58.27 3i8i n HIS 186 Cb 0.57 -1.99 -0.05 0.00 -0.12 0.00 0.00 29.99 28.40 3i8i n HIS 186 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3i8i h GLY 187 N -0.25 0.91 0.74 1.57 0.00 -0.59 -2.97 103.07 102.48 3i8i h GLY 187 Ca -0.46 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 45.78 3i8i h GLY 187 CO 0.45 0.98 0.00 1.18 0.00 0.00 0.00 176.54 179.14 3i8i n GLU 188 N -4.04 0.35 -2.45 4.80 -0.58 -1.26 -1.40 120.64 116.05 3i8i n GLU 188 Ca -0.05 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.26 3i8i n GLU 188 Cb 0.62 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 3i8i n GLU 188 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8i s TYR 190 N 3.34 2.20 -0.30 0.00 1.51 -1.26 0.11 117.35 122.96 3i8i s TYR 190 Ca 0.54 1.07 -0.16 0.00 -1.01 0.00 0.00 57.07 57.51 3i8i s TYR 190 Cb -0.21 -3.23 0.18 0.00 -0.11 0.00 0.00 41.96 38.58 3i8i s TYR 190 CO 0.15 -2.69 1.09 0.00 -1.11 0.00 0.00 175.55 172.99 3i8i s ALA 191 N -2.97 -2.92 -0.19 3.71 0.00 -0.66 -2.40 121.76 116.34 3i8i s ALA 191 Ca 0.65 1.95 -0.24 0.00 0.00 0.00 0.00 51.96 54.32 3i8i s ALA 191 Cb -0.18 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 3i8i s ALA 191 CO 0.57 -0.97 0.76 -0.08 0.00 0.00 0.00 175.76 176.05 3i8i s THR 192 N 2.32 4.92 0.32 0.00 -1.32 -1.20 -2.80 115.64 117.88 3i8i s THR 192 Ca -0.01 1.47 -0.29 0.00 -1.21 0.00 0.00 61.69 61.65 3i8i s THR 192 Cb -0.04 -4.07 -0.12 0.00 -1.51 0.00 0.00 72.50 66.76 3i8i s THR 192 CO -0.17 0.04 1.50 0.55 -2.21 0.00 0.00 174.62 174.34 3i8i n VAL 193 N 4.78 1.40 0.00 5.08 3.14 -0.32 -0.54 118.33 131.87 3i8i n VAL 193 Ca 0.03 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 3i8i n VAL 193 Cb 0.49 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.41 3i8i n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8i n GLY 194 N 1.52 0.27 3.89 7.55 0.00 -1.11 -2.05 105.19 115.25 3i8i n GLY 194 Ca 0.06 -2.30 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 3i8i n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i s ALA 195 N -1.10 4.02 0.38 4.61 0.00 -1.26 -1.49 121.76 126.92 3i8i s ALA 195 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 51.96 50.37 3i8i s ALA 195 Cb 0.00 -1.22 0.77 0.00 0.00 0.00 0.00 23.12 22.67 3i8i s ALA 195 CO 0.00 -0.10 1.86 0.28 0.00 0.00 0.00 175.76 177.81 3i8i h VAL 196 N 1.09 1.23 0.00 0.00 2.07 -0.74 -0.79 116.25 119.11 3i8i h VAL 196 Ca -0.43 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3i8i h VAL 196 Cb 1.26 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3i8i h VAL 196 CO 0.56 0.32 0.00 0.61 0.02 0.00 0.00 177.57 179.08 3i8i n GLY 197 N -0.61 -1.09 3.46 2.17 0.00 -1.26 -3.82 105.19 104.04 3i8i n GLY 197 Ca -0.02 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 3i8i n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i8i n ASN 198 N -1.47 -3.29 -0.11 1.61 4.05 -1.26 -1.06 115.26 113.73 3i8i n ASN 198 Ca 0.00 -0.72 0.14 0.00 0.45 0.00 0.00 54.58 54.46 3i8i n ASN 198 Cb 0.00 -4.80 0.62 0.00 1.23 0.00 0.00 39.78 36.84 3i8i n ASN 198 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i8i n ALA 199 N -3.93 2.74 0.44 5.20 0.00 -1.26 -3.06 120.51 120.64 3i8i n ALA 199 Ca -0.22 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.09 3i8i n ALA 199 Cb 0.65 -1.35 0.29 0.00 0.00 0.00 0.00 19.45 19.05 3i8i n ALA 199 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i8i h ASP 200 N 0.53 0.00 -0.82 0.00 3.32 -1.95 -3.33 116.42 114.16 3i8i h ASP 200 Ca 0.00 -0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 3i8i h ASP 200 Cb 0.35 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.74 3i8i h ASP 200 CO 0.00 0.00 -0.22 1.57 -1.72 0.00 0.00 179.24 178.87 3i8i n HIS 201 N -2.64 0.26 0.32 4.55 -0.00 -1.17 0.12 115.22 116.66 3i8i n HIS 201 Ca 0.05 1.01 0.01 0.00 -0.00 0.00 0.00 57.72 58.78 3i8i n HIS 201 Cb 0.48 -0.95 0.06 0.00 -0.00 0.00 0.00 29.99 29.58 3i8i n HIS 201 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3i8i n LYS 202 N -5.33 0.16 -0.03 1.57 2.85 -1.25 -1.80 118.16 114.34 3i8i n LYS 202 Ca 0.13 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.40 3i8i n LYS 202 Cb 0.40 -1.21 0.03 0.00 -0.65 0.00 0.00 35.03 33.60 3i8i n LYS 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3i8i n ASN 203 N -0.71 1.84 -3.96 -5.58 3.02 0.33 -5.02 115.26 105.18 3i8i n ASN 203 Ca 0.02 -1.64 -0.30 0.00 -0.03 0.00 0.00 54.58 52.63 3i8i n ASN 203 Cb 0.01 -0.04 0.23 0.00 -0.61 0.00 0.00 39.78 39.37 3i8i n ASN 203 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i8i s ILE 204 N -0.69 1.65 -0.33 2.41 -4.36 -0.74 -4.99 121.20 114.15 3i8i s ILE 204 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.45 3i8i s ILE 204 Cb 0.03 -2.45 0.14 0.00 1.25 0.00 0.00 42.46 41.44 3i8i s ILE 204 CO 0.04 0.00 0.32 -0.69 0.24 0.00 0.00 174.94 174.86 3i8i s VAL 205 N -2.93 -0.33 0.29 8.37 1.01 -1.22 -4.96 120.40 120.63 3i8i s VAL 205 Ca 0.70 -0.79 0.18 0.00 0.00 0.00 0.00 61.98 62.06 3i8i s VAL 205 Cb -0.12 -0.86 0.29 0.00 0.00 0.00 0.00 36.38 35.69 3i8i s VAL 205 CO 0.57 -0.56 1.20 0.18 0.00 0.00 0.00 175.10 176.49 3i8i n LEU 206 N 4.75 0.25 0.00 3.92 4.77 -1.26 -1.78 117.00 127.65 3i8i n LEU 206 Ca 0.05 1.23 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 3i8i n LEU 206 Cb 0.45 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3i8i n LEU 206 CO 0.05 -1.37 0.00 0.61 -1.33 0.00 0.00 177.39 175.35 3i8i n GLY 207 N -1.23 1.67 3.28 -0.72 0.00 -1.26 -4.55 105.19 102.38 3i8i n GLY 207 Ca 0.29 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3i8i n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i8i s LYS 208 N 0.00 1.39 0.27 1.61 -2.85 -1.26 -4.64 119.74 114.26 3i8i s LYS 208 Ca 0.00 -1.76 -0.02 0.00 -1.00 0.00 0.00 55.97 53.19 3i8i s LYS 208 Cb 0.00 0.00 0.37 0.00 -2.06 0.00 0.00 37.83 36.14 3i8i s LYS 208 CO 0.00 -0.38 1.85 0.00 0.10 0.00 0.00 175.35 176.92 3i8i h ALA 209 N 2.42 1.24 -0.97 0.59 0.00 -2.00 -3.04 119.26 117.49 3i8i h ALA 209 Ca -0.36 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.62 3i8i h ALA 209 Cb 1.25 -0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 3i8i h ALA 209 CO 0.55 0.56 0.54 0.78 0.00 0.00 0.00 179.25 181.68 3i8i h GLY 210 N 1.03 1.79 0.66 0.00 0.00 -1.96 -2.06 103.07 102.53 3i8i h GLY 210 Ca 0.22 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.31 3i8i h GLY 210 CO -0.02 -0.22 -0.03 -0.09 0.00 0.00 0.00 176.54 176.18 3i8i h ARG 211 N 0.56 0.02 -0.59 4.80 9.65 -1.77 -0.91 114.38 126.14 3i8i h ARG 211 Ca 0.61 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.56 3i8i h ARG 211 Cb 1.13 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.64 3i8i h ARG 211 CO -0.47 0.01 0.27 0.77 2.80 0.00 0.00 179.97 183.35 3i8i h SER 212 N 0.02 0.34 -0.50 -3.80 0.02 -1.53 -2.12 113.55 105.98 3i8i h SER 212 Ca 0.09 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3i8i h SER 212 Cb 0.12 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.59 3i8i h SER 212 CO -0.17 0.22 0.09 0.03 -1.14 0.00 0.00 176.83 175.86 3i8i h ARG 213 N 0.49 0.22 -0.16 3.45 2.47 -1.12 0.60 114.38 120.34 3i8i h ARG 213 Ca 0.28 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 59.03 3i8i h ARG 213 Cb 0.27 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3i8i h ARG 213 CO -0.23 0.15 0.14 -1.49 0.56 0.00 0.00 179.97 179.10 3i8i h TRP 214 N 0.23 0.00 -0.29 3.04 6.55 -0.51 -1.19 115.95 123.78 3i8i h TRP 214 Ca 0.25 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.09 3i8i h TRP 214 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 3i8i h TRP 214 CO -0.23 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.44 3i8i n LEU 215 N -4.09 1.71 0.00 -4.49 4.77 0.15 -1.49 117.00 113.55 3i8i n LEU 215 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3i8i n LEU 215 Cb 0.27 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3i8i n LEU 215 CO 0.31 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3i8i n GLY 216 N 1.04 0.46 3.17 -0.72 0.00 -0.46 -4.90 105.19 103.78 3i8i n GLY 216 Ca 0.12 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 3i8i n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8i s ARG 217 N -2.28 2.22 0.64 1.61 0.52 -0.86 -1.73 118.95 119.07 3i8i s ARG 217 Ca 0.00 -1.68 -0.15 0.00 -0.52 0.00 0.00 55.73 53.39 3i8i s ARG 217 Cb 0.00 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 3i8i s ARG 217 CO 0.00 -1.01 1.08 1.03 0.02 0.00 0.00 175.30 176.42 3i8i s ARG 218 N 1.23 3.05 0.71 3.54 1.81 0.70 -3.59 118.95 126.40 3i8i s ARG 218 Ca 0.05 1.24 -0.16 0.00 -1.72 0.00 0.00 55.73 55.14 3i8i s ARG 218 Cb -0.23 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 3i8i s ARG 218 CO -0.02 -1.03 0.59 -0.35 -0.68 0.00 0.00 175.30 173.81 3i8i n PRO 219 N -2.35 0.35 -4.09 3.54 -0.04 -1.26 -4.80 135.00 126.35 3i8i n PRO 219 Ca 0.09 0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 3i8i n PRO 219 Cb 0.53 -1.87 -0.16 0.00 -0.04 0.00 0.00 33.50 31.95 3i8i n PRO 219 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i8i s HIS 220 N -1.88 2.73 -0.09 0.54 2.46 -1.26 -4.76 115.29 113.02 3i8i s HIS 220 Ca 0.67 -1.68 -0.15 0.00 0.47 0.00 0.00 55.06 54.37 3i8i s HIS 220 Cb -0.36 -1.85 -0.05 0.00 -0.13 0.00 0.00 32.58 30.20 3i8i s HIS 220 CO 0.57 -0.79 0.38 0.54 -2.47 0.00 0.00 174.74 172.96 3i8i s VAL 221 N 1.30 5.19 0.60 0.89 0.11 -1.26 -5.06 120.40 122.17 3i8i s VAL 221 Ca 0.03 0.74 -0.17 0.00 -2.93 0.00 0.00 61.98 59.65 3i8i s VAL 221 Cb -0.14 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 30.98 3i8i s VAL 221 CO -0.11 0.45 1.11 -0.13 -3.33 0.00 0.00 175.10 173.08 3i8i s ARG 222 N -0.09 3.11 0.05 1.54 0.52 -1.26 -4.96 118.95 117.86 3i8i s ARG 222 Ca 0.22 1.44 -0.33 0.00 -0.52 0.00 0.00 55.73 56.54 3i8i s ARG 222 Cb -0.15 -1.99 -0.19 0.00 0.52 0.00 0.00 34.95 33.15 3i8i s ARG 222 CO 0.09 -1.02 1.47 0.78 0.02 0.00 0.00 175.30 176.64 3i8i h GLY 223 N 0.56 -1.08 -0.45 -3.53 0.00 -1.97 -1.68 103.07 94.93 3i8i h GLY 223 Ca -0.48 0.40 0.18 0.00 0.00 0.00 0.00 47.33 47.44 3i8i h GLY 223 CO 0.56 -0.39 0.25 0.00 0.00 0.00 0.00 176.54 176.95 3i8i n ALA 224 N -2.60 0.46 0.21 3.60 0.00 -0.45 0.22 120.51 121.95 3i8i n ALA 224 Ca -0.14 0.44 0.06 0.00 0.00 0.00 0.00 53.44 53.79 3i8i n ALA 224 Cb 0.42 -0.44 0.45 0.00 0.00 0.00 0.00 19.45 19.87 3i8i n ALA 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i h ALA 225 N 0.86 1.30 -3.91 0.00 0.00 -1.47 -3.41 119.26 112.62 3i8i h ALA 225 Ca 0.37 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3i8i h ALA 225 Cb 1.00 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.76 3i8i h ALA 225 CO -0.33 0.38 0.04 -1.33 0.00 0.00 0.00 179.25 178.01 3i8i n MET 226 N -3.89 0.32 -3.89 0.00 2.81 0.58 -4.92 117.12 108.14 3i8i n MET 226 Ca -0.02 -0.59 -0.22 0.00 -1.81 0.00 0.00 57.70 55.06 3i8i n MET 226 Cb 0.38 -0.18 -0.05 0.00 -0.71 0.00 0.00 33.22 32.66 3i8i n MET 226 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3i8i s ASN 227 N -1.95 4.90 0.38 7.83 -0.87 -1.26 -1.98 114.94 121.99 3i8i s ASN 227 Ca 0.15 -0.73 0.12 0.00 -1.57 0.00 0.00 52.86 50.83 3i8i s ASN 227 Cb -0.01 -0.72 0.92 0.00 -0.02 0.00 0.00 41.25 41.42 3i8i s ASN 227 CO 0.10 -0.44 1.88 1.55 -2.57 0.00 0.00 177.10 177.63 3i8i h PRO 228 N 1.32 0.56 -0.96 -0.60 0.13 -1.70 -1.32 132.00 129.43 3i8i h PRO 228 Ca -0.43 -0.03 0.27 0.00 -0.87 0.00 0.00 66.00 64.93 3i8i h PRO 228 Cb 1.26 -0.13 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 3i8i h PRO 228 CO 0.61 0.37 0.68 0.28 -0.23 0.00 0.00 178.00 179.71 3i8i h VAL 229 N 0.58 0.54 0.00 1.56 2.07 -1.96 -2.94 116.25 116.10 3i8i h VAL 229 Ca 0.43 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.92 3i8i h VAL 229 Cb 0.81 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3i8i h VAL 229 CO -0.18 0.02 -0.35 -0.90 0.02 0.00 0.00 177.57 176.18 3i8i n ASP 230 N -4.32 0.46 -3.63 0.57 3.85 -0.55 -5.06 116.55 107.87 3i8i n ASP 230 Ca 0.21 -0.62 -0.12 0.00 -0.71 0.00 0.00 54.79 53.55 3i8i n ASP 230 Cb 0.97 1.01 -0.07 0.00 -1.35 0.00 0.00 41.12 41.69 3i8i n ASP 230 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3i8i s HIS 231 N -1.64 -0.65 0.30 2.11 5.04 -0.90 -4.87 115.29 114.68 3i8i s HIS 231 Ca 0.02 1.59 0.05 0.00 -1.54 0.00 0.00 55.06 55.19 3i8i s HIS 231 Cb 0.05 0.31 0.82 0.00 0.04 0.00 0.00 32.58 33.80 3i8i s HIS 231 CO 0.26 -0.31 1.64 -1.35 -2.34 0.00 0.00 174.74 172.63 3i8i h PRO 232 N 4.66 0.19 -2.99 2.88 0.11 -1.81 -2.44 132.00 132.59 3i8i h PRO 232 Ca -0.29 -0.01 -0.76 0.00 0.11 0.00 0.00 66.00 65.05 3i8i h PRO 232 Cb 1.17 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 3i8i h PRO 232 CO 0.07 0.13 1.88 0.72 -0.21 0.00 0.00 178.00 180.60 3i8i n HIS 233 N -5.22 2.69 -3.95 0.65 8.25 -1.26 -4.94 115.22 111.43 3i8i n HIS 233 Ca 0.24 -2.74 -0.14 0.00 -0.26 0.00 0.00 57.72 54.82 3i8i n HIS 233 Cb 0.78 -1.73 -0.15 0.00 1.12 0.00 0.00 29.99 30.01 3i8i n HIS 233 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i8i s GLY 234 N 0.07 0.13 0.00 -1.41 0.00 -0.92 -1.34 107.32 103.86 3i8i s GLY 234 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3i8i s GLY 234 CO -0.03 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.84 3i8i n GLY 235 N 3.40 0.55 7.00 0.20 0.00 -0.84 -2.94 105.19 112.56 3i8i n GLY 235 Ca -0.17 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3i8i n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8i n GLY 236 N 0.00 -0.42 0.00 -0.02 0.00 -1.26 -4.74 105.19 98.75 3i8i n GLY 236 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3i8i n GLY 236 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8i n GLU 237 N -0.24 1.74 -1.49 1.61 4.71 -1.26 -4.93 120.64 120.79 3i8i n GLU 237 Ca 0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 57.16 56.62 3i8i n GLU 237 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.36 3i8i n GLU 237 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i8i n GLY 238 N 5.00 0.55 1.07 0.62 0.00 -1.26 -4.60 105.19 106.57 3i8i n GLY 238 Ca 0.00 0.95 0.11 0.00 0.00 0.00 0.00 46.02 47.08 3i8i n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8i n ARG 239 N 7.50 -1.86 -3.63 1.61 5.12 -1.26 -4.99 116.66 119.15 3i8i n ARG 239 Ca 0.39 1.40 -0.04 0.00 -1.93 0.00 0.00 57.85 57.67 3i8i n ARG 239 Cb 0.18 -2.43 -0.04 0.00 -1.16 0.00 0.00 32.46 29.02 3i8i n ARG 239 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8i s ALA 240 N -3.25 -2.09 -0.96 7.54 0.00 -1.26 -4.85 121.76 116.89 3i8i s ALA 240 Ca 0.00 1.82 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 3i8i s ALA 240 Cb 0.00 -1.18 0.14 0.00 0.00 0.00 0.00 23.12 22.08 3i8i s ALA 240 CO 0.00 -0.31 2.41 -0.35 0.00 0.00 0.00 175.76 177.52 3i8i n PRO 241 N 0.46 3.84 0.00 0.00 -0.04 -1.26 -4.90 135.00 133.10 3i8i n PRO 241 Ca -0.01 -3.26 0.00 0.00 -0.04 0.00 0.00 63.50 60.19 3i8i n PRO 241 Cb 0.58 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3i8i n PRO 241 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i8i n ARG 242 N 1.03 0.00 -1.56 0.54 3.00 -1.26 -4.36 116.66 114.04 3i8i n ARG 242 Ca 0.55 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 58.28 3i8i n ARG 242 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.77 3i8i n ARG 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8i n GLY 243 N 0.00 0.87 3.61 -0.13 0.00 -1.26 -4.87 105.19 103.41 3i8i n GLY 243 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 3i8i n GLY 243 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i8i s ARG 244 N -3.37 0.26 0.17 1.61 1.70 -1.26 -5.11 118.95 112.95 3i8i s ARG 244 Ca 0.00 -0.12 -0.32 0.00 -0.47 0.00 0.00 55.73 54.83 3i8i s ARG 244 Cb 0.00 0.11 -0.11 0.00 -0.57 0.00 0.00 34.95 34.38 3i8i s ARG 244 CO 0.00 -0.12 1.79 -0.35 -1.08 0.00 0.00 175.30 175.54 3i8i n PRO 245 N -0.22 2.82 -1.44 3.89 -0.04 -1.26 -4.85 135.00 133.90 3i8i n PRO 245 Ca -0.02 1.02 -0.49 0.00 -0.04 0.00 0.00 63.50 63.97 3i8i n PRO 245 Cb 0.60 -2.90 -0.04 0.00 -0.04 0.00 0.00 33.50 31.12 3i8i n PRO 245 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3i8i n PRO 246 N 4.88 0.16 -4.05 0.54 -0.02 -1.26 -4.87 135.00 130.39 3i8i n PRO 246 Ca 0.17 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 3i8i n PRO 246 Cb 0.36 -1.19 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 3i8i n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8i s ALA 247 N -0.81 0.27 0.54 3.55 0.00 -1.26 -2.24 121.76 121.80 3i8i s ALA 247 Ca 0.68 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3i8i s ALA 247 Cb -0.96 1.12 0.04 0.00 0.00 0.00 0.00 23.12 23.32 3i8i s ALA 247 CO 0.56 -0.81 0.75 -1.54 0.00 0.00 0.00 175.76 174.73 3i8i s SER 248 N -3.12 5.28 0.45 0.00 1.04 -1.07 -4.86 113.70 111.43 3i8i s SER 248 Ca 0.27 -0.11 0.19 0.00 0.48 0.00 0.00 55.95 56.77 3i8i s SER 248 Cb 0.00 -0.77 1.14 0.00 0.10 0.00 0.00 66.02 66.49 3i8i s SER 248 CO 0.14 -1.13 1.92 -0.65 0.98 0.00 0.00 173.24 174.50 3i8i h PRO 249 N 0.13 0.31 0.00 4.02 0.11 -1.93 1.18 132.00 135.82 3i8i h PRO 249 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i8i h PRO 249 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i8i h PRO 249 CO 0.50 0.21 0.00 0.91 -0.21 0.00 0.00 178.00 179.41 3i8i n TRP 250 N -4.45 0.04 -0.63 0.65 8.01 -1.26 -4.61 117.44 115.19 3i8i n TRP 250 Ca 0.15 0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 3i8i n TRP 250 Cb 0.60 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 3i8i n TRP 250 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i8i n GLY 251 N 1.14 0.63 3.69 6.99 0.00 0.41 -5.08 105.19 112.96 3i8i n GLY 251 Ca 0.06 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3i8i n GLY 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3i8i s TRP 252 N -2.00 3.14 0.37 1.61 1.48 -1.26 -4.71 118.94 117.57 3i8i s TRP 252 Ca 0.00 0.15 -0.23 0.00 -1.06 0.00 0.00 56.10 54.97 3i8i s TRP 252 Cb 0.00 -1.74 -0.16 0.00 -1.16 0.00 0.00 33.47 30.41 3i8i s TRP 252 CO 0.00 0.47 0.21 1.04 -4.06 0.00 0.00 176.95 174.61 3i8i n GLN 253 N 1.83 0.06 -0.46 3.25 1.13 -1.26 -2.60 117.38 119.33 3i8i n GLN 253 Ca -0.17 0.02 0.03 0.00 -1.94 0.00 0.00 57.00 54.94 3i8i n GLN 253 Cb 0.53 -1.05 0.04 0.00 0.11 0.00 0.00 30.24 29.87 3i8i n GLN 253 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 3i8i n THR 254 N -0.82 0.48 -3.42 5.09 5.66 -0.95 -4.64 114.28 115.67 3i8i n THR 254 Ca 0.12 -0.64 -0.26 0.00 -3.05 0.00 0.00 64.05 60.22 3i8i n THR 254 Cb 0.37 0.35 -0.09 0.00 -1.55 0.00 0.00 70.33 69.41 3i8i n THR 254 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3i8i n LYS 255 N -0.32 1.12 0.00 1.09 4.76 -1.26 -4.88 118.16 118.67 3i8i n LYS 255 Ca 0.04 -3.72 0.00 0.00 -2.87 0.00 0.00 58.31 51.76 3i8i n LYS 255 Cb 0.71 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 3i8i n LYS 255 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8i n GLY 256 N 1.80 3.60 2.81 0.72 0.00 -1.26 -5.07 105.19 107.80 3i8i n GLY 256 Ca 0.25 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 3i8i n GLY 256 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8i n LEU 257 N 0.00 -0.26 -4.76 0.99 0.00 -1.26 -4.89 117.00 106.82 3i8i n LEU 257 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 56.01 55.57 3i8i n LEU 257 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 43.42 42.81 3i8i n LEU 257 CO 0.00 -0.78 0.98 -0.54 0.00 0.00 0.00 177.39 177.06 3i8i s LYS 258 N 6.67 3.51 0.00 1.96 1.02 -1.26 -4.94 119.74 126.70 3i8i s LYS 258 Ca 1.08 2.21 0.00 0.00 0.02 0.00 0.00 55.97 59.28 3i8i s LYS 258 Cb -0.90 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3i8i s LYS 258 CO 0.42 -0.89 0.00 -2.37 -0.92 0.00 0.00 175.35 171.59 3i8i n THR 259 N -0.54 0.00 -1.63 2.17 5.66 -1.26 -5.03 114.28 113.65 3i8i n THR 259 Ca 0.07 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.61 3i8i n THR 259 Cb 0.44 -0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 68.94 3i8i n THR 259 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3i8i n ARG 260 N -1.58 1.64 -1.95 1.09 0.63 -1.26 -4.83 116.66 110.41 3i8i n ARG 260 Ca 0.00 0.59 -0.42 0.00 -0.92 0.00 0.00 57.85 57.09 3i8i n ARG 260 Cb 0.23 -2.18 -0.03 0.00 0.45 0.00 0.00 32.46 30.93 3i8i n ARG 260 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3i8i s LYS 261 N -0.32 4.19 0.04 -0.14 2.20 -1.26 -4.95 119.74 119.50 3i8i s LYS 261 Ca 0.71 2.27 -0.08 0.00 -0.36 0.00 0.00 55.97 58.51 3i8i s LYS 261 Cb -0.75 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 31.69 3i8i s LYS 261 CO 0.50 -0.81 1.14 -0.09 -0.36 0.00 0.00 175.35 175.73 3i8i h ARG 262 N 9.18 -0.02 0.00 4.03 2.43 -2.00 -2.57 114.38 125.43 3i8i h ARG 262 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3i8i h ARG 262 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3i8i h ARG 262 CO 0.94 -0.01 0.00 0.00 -1.51 0.00 0.00 179.97 179.39 3i8i h ARG 263 N -0.02 0.00 -3.79 0.20 3.08 -2.03 -3.47 114.38 108.35 3i8i h ARG 263 Ca 0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.54 3i8i h ARG 263 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3i8i h ARG 263 CO -0.23 0.00 0.38 1.17 -1.07 0.00 0.00 179.97 180.22 3i8i n LYS 264 N -2.37 0.00 -0.37 0.04 4.81 -0.97 -4.82 118.16 114.47 3i8i n LYS 264 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3i8i n LYS 264 Cb 0.16 -0.95 0.15 0.00 0.02 0.00 0.00 35.03 34.41 3i8i n LYS 264 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3i8i h PRO 265 N 2.97 1.19 -1.26 1.64 0.13 -1.92 -1.82 132.00 132.93 3i8i h PRO 265 Ca -0.28 -0.07 0.45 0.00 -0.87 0.00 0.00 66.00 65.22 3i8i h PRO 265 Cb 0.87 -0.27 -0.15 0.00 0.13 0.00 0.00 31.00 31.58 3i8i h PRO 265 CO 0.59 0.79 0.78 1.03 -0.23 0.00 0.00 178.00 180.96 3i8i h SER 266 N 1.23 0.25 -0.65 1.44 0.87 -1.99 -2.26 113.55 112.44 3i8i h SER 266 Ca 0.41 0.18 0.10 0.00 -1.23 0.00 0.00 61.79 61.25 3i8i h SER 266 Cb 0.06 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.10 3i8i h SER 266 CO -0.14 -0.29 -0.26 -1.20 -0.53 0.00 0.00 176.83 174.40 3i8i n SER 267 N -4.88 -0.44 0.00 6.23 7.64 -0.69 -0.93 113.62 120.56 3i8i n SER 267 Ca 0.39 1.14 0.01 0.00 1.01 0.00 0.00 58.87 61.42 3i8i n SER 267 Cb 1.45 -0.26 0.05 0.00 -1.01 0.00 0.00 64.21 64.45 3i8i n SER 267 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i8i n ARG 268 N -4.95 0.17 0.00 1.43 1.85 -0.85 -1.28 116.66 113.02 3i8i n ARG 268 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3i8i n ARG 268 Cb 0.26 -1.16 -0.00 0.00 -1.05 0.00 0.00 32.46 30.51 3i8i n ARG 268 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3i8i n PHE 269 N -0.66 0.00 -3.58 2.89 3.72 -0.10 -5.00 117.46 114.73 3i8i n PHE 269 Ca 0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.08 3i8i n PHE 269 Cb 0.01 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 3i8i n PHE 269 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i8i s ILE 270 N -0.55 5.10 0.00 4.37 1.01 -0.41 -0.21 121.20 130.50 3i8i s ILE 270 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3i8i s ILE 270 Cb 0.01 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.84 3i8i s ILE 270 CO 0.02 0.21 0.00 -0.38 0.00 0.00 0.00 174.94 174.79 3i8i n ILE 271 N 0.65 0.00 -2.08 2.92 5.41 0.25 -4.96 119.36 121.54 3i8i n ILE 271 Ca -0.06 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3i8i n ILE 271 Cb 0.52 0.78 0.00 0.00 -0.71 0.00 0.00 39.64 40.23 3i8i n ILE 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8i n ALA 272 N -0.52 0.00 1.01 -1.39 0.00 -1.23 -4.74 120.51 113.64 3i8i n ALA 272 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3i8i n ALA 272 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3i8i n ALA 272 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39