#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4i n ASP 2 N 0.00 4.16 -0.04 6.12 4.64 -1.26 -4.77 116.55 125.40 3a4i n ASP 2 Ca 0.00 -2.85 -0.00 0.00 -1.38 0.00 0.00 54.79 50.56 3a4i n ASP 2 Cb 0.00 -1.66 0.29 0.00 -1.04 0.00 0.00 41.12 38.71 3a4i n ASP 2 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 3a4i h TRP 3 N 6.94 0.62 -0.49 -0.67 -0.00 -2.02 -0.79 115.95 119.54 3a4i h TRP 3 Ca 0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.34 3a4i h TRP 3 Cb 0.75 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.70 3a4i h TRP 3 CO 1.42 0.54 0.32 0.78 -0.00 0.00 0.00 178.44 181.51 3a4i h GLY 4 N 0.83 0.70 1.51 1.49 0.00 -1.99 0.34 103.07 105.95 3a4i h GLY 4 Ca 0.14 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 3a4i h GLY 4 CO -0.00 0.26 -0.57 -0.09 0.00 0.00 0.00 176.54 176.13 3a4i h ARG 5 N 0.67 0.51 -0.06 4.80 2.43 -1.89 -1.31 114.38 119.51 3a4i h ARG 5 Ca 0.18 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3a4i h ARG 5 Cb -0.07 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3a4i h ARG 5 CO -0.04 0.94 0.03 0.35 -1.51 0.00 0.00 179.97 179.74 3a4i h PHE 6 N 0.38 0.09 0.20 2.20 3.57 -0.64 -1.83 116.94 120.92 3a4i h PHE 6 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3a4i h PHE 6 Cb 1.12 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 3a4i h PHE 6 CO 0.04 0.16 -0.18 0.28 -2.23 0.00 0.00 178.31 176.38 3a4i h VAL 7 N -0.01 0.60 -0.51 1.41 2.07 -0.32 -1.37 116.25 118.12 3a4i h VAL 7 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 3a4i h VAL 7 Cb 0.10 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 3a4i h VAL 7 CO -0.00 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 176.96 3a4i h GLU 8 N -0.41 -0.17 -0.67 1.57 5.08 -1.17 0.21 114.58 119.03 3a4i h GLU 8 Ca -0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3a4i h GLU 8 Cb 0.37 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3a4i h GLU 8 CO -0.03 -0.11 0.12 1.49 -1.00 0.00 0.00 179.01 179.48 3a4i h GLU 9 N -0.17 1.10 -0.12 2.33 4.81 -1.24 -1.41 114.58 119.88 3a4i h GLU 9 Ca 0.22 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 3a4i h GLU 9 Cb 0.53 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3a4i h GLU 9 CO -0.61 1.00 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.29 3a4i h LYS 10 N 1.03 0.32 -0.62 1.92 1.63 -0.42 0.10 116.57 120.52 3a4i h LYS 10 Ca 0.20 -0.19 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 3a4i h LYS 10 Cb 0.43 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.02 3a4i h LYS 10 CO 0.01 0.76 0.34 0.28 -3.45 0.00 0.00 179.45 177.39 3a4i h VAL 11 N -0.09 0.97 -0.34 2.00 2.07 -0.59 -0.41 116.25 119.86 3a4i h VAL 11 Ca 0.01 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3a4i h VAL 11 Cb 0.72 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3a4i h VAL 11 CO 0.04 0.12 0.19 0.03 0.02 0.00 0.00 177.57 177.96 3a4i h ARG 12 N 0.64 0.38 -0.09 1.57 3.08 -1.04 -0.18 114.38 118.74 3a4i h ARG 12 Ca 0.28 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3a4i h ARG 12 Cb 0.16 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3a4i h ARG 12 CO -0.17 0.25 -0.11 1.49 -1.07 0.00 0.00 179.97 180.36 3a4i h GLU 13 N 0.39 -0.14 -0.06 0.04 4.81 -0.18 -1.39 114.58 118.04 3a4i h GLU 13 Ca 0.14 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3a4i h GLU 13 Cb 0.02 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3a4i h GLU 13 CO -0.07 -0.09 0.02 0.82 -0.73 0.00 0.00 179.01 178.95 3a4i h ILE 14 N -0.15 0.98 -0.73 2.32 2.04 -0.87 -1.30 117.51 119.80 3a4i h ILE 14 Ca 0.07 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.05 3a4i h ILE 14 Cb 0.25 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3a4i h ILE 14 CO -0.18 0.01 0.28 0.03 0.00 0.00 0.00 178.15 178.29 3a4i h ARG 15 N 0.05 0.41 -0.09 2.37 3.08 -0.80 0.31 114.38 119.71 3a4i h ARG 15 Ca 0.03 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3a4i h ARG 15 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3a4i h ARG 15 CO -0.03 0.27 -0.57 0.93 -1.07 0.00 0.00 179.97 179.50 3a4i h GLU 16 N 0.42 0.27 -0.06 0.04 5.08 -0.93 0.36 114.58 119.76 3a4i h GLU 16 Ca 0.40 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3a4i h GLU 16 Cb 0.60 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3a4i h GLU 16 CO -0.40 0.77 -0.33 1.15 -1.00 0.00 0.00 179.01 179.20 3a4i h THR 17 N 0.20 1.43 0.11 1.13 2.02 -0.54 -3.35 112.91 113.91 3a4i h THR 17 Ca -0.00 -1.76 -0.27 0.00 0.77 0.00 0.00 66.41 65.15 3a4i h THR 17 Cb 1.07 2.37 0.01 0.00 -1.74 0.00 0.00 68.15 69.86 3a4i h THR 17 CO 0.09 0.50 -1.19 0.58 0.37 0.00 0.00 175.52 175.88 3a4i h VAL 18 N -0.17 1.40 0.00 3.16 2.07 -0.94 -3.49 116.25 118.27 3a4i h VAL 18 Ca -0.02 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.79 3a4i h VAL 18 Cb 0.99 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3a4i h VAL 18 CO 0.07 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.07 3a4i n GLY 19 N 1.35 3.62 1.49 2.17 0.00 0.11 -2.23 105.19 111.71 3a4i n GLY 19 Ca -0.10 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3a4i n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a4i n ASP 20 N 5.30 4.40 -4.89 1.61 5.75 -1.26 -4.97 116.55 122.49 3a4i n ASP 20 Ca 0.00 -2.29 -0.29 0.00 -0.01 0.00 0.00 54.79 52.20 3a4i n ASP 20 Cb 0.00 -0.54 0.08 0.00 -1.03 0.00 0.00 41.12 39.63 3a4i n ASP 20 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3a4i s SER 21 N -0.92 4.63 0.13 -1.12 0.01 -0.95 -5.08 113.70 110.41 3a4i s SER 21 Ca 0.50 0.85 -0.14 0.00 1.31 0.00 0.00 55.95 58.47 3a4i s SER 21 Cb 0.30 -1.40 -0.07 0.00 0.21 0.00 0.00 66.02 65.06 3a4i s SER 21 CO 0.27 -1.83 0.53 -0.54 0.41 0.00 0.00 173.24 172.08 3a4i s LYS 22 N -5.53 3.96 0.23 12.44 1.02 -1.26 -4.89 119.74 125.71 3a4i s LYS 22 Ca 0.61 0.46 0.11 0.00 0.02 0.00 0.00 55.97 57.18 3a4i s LYS 22 Cb -0.11 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 3a4i s LYS 22 CO 0.50 0.50 -0.21 0.00 -0.92 0.00 0.00 175.35 175.22 3a4i s ALA 23 N -1.43 2.54 0.06 5.17 0.00 -0.52 -0.96 121.76 126.62 3a4i s ALA 23 Ca 0.36 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.65 3a4i s ALA 23 Cb -0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3a4i s ALA 23 CO 0.19 0.31 -0.19 -1.50 0.00 0.00 0.00 175.76 174.57 3a4i s ILE 24 N -2.20 1.52 -0.01 0.00 2.07 -0.19 -0.80 121.20 121.60 3a4i s ILE 24 Ca 0.25 -1.24 -0.01 0.00 -1.41 0.00 0.00 60.65 58.23 3a4i s ILE 24 Cb -0.06 -1.35 0.00 0.00 0.13 0.00 0.00 42.46 41.18 3a4i s ILE 24 CO 0.12 0.07 0.03 -0.51 -1.91 0.00 0.00 174.94 172.74 3a4i s ILE 25 N -0.92 0.00 -0.19 2.00 2.07 -0.64 -1.12 121.20 122.39 3a4i s ILE 25 Ca 0.05 -0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 59.06 3a4i s ILE 25 Cb -0.09 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3a4i s ILE 25 CO 0.02 -0.02 0.55 0.00 -1.91 0.00 0.00 174.94 173.58 3a4i s ALA 26 N -0.05 3.54 -0.24 1.50 0.00 -1.26 -0.60 121.76 124.65 3a4i s ALA 26 Ca -0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 3a4i s ALA 26 Cb -0.01 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 3a4i s ALA 26 CO 0.00 -0.45 0.15 -0.51 0.00 0.00 0.00 175.76 174.96 3a4i s LEU 27 N 1.65 4.10 -0.02 0.00 1.43 0.69 -4.88 118.68 121.64 3a4i s LEU 27 Ca 0.26 0.11 0.16 0.00 -1.03 0.00 0.00 54.13 53.63 3a4i s LEU 27 Cb -0.16 -2.10 -0.24 0.00 0.03 0.00 0.00 46.19 43.72 3a4i s LEU 27 CO 0.10 0.07 0.40 -1.54 0.23 0.00 0.00 176.35 175.61 3a4i n SER 28 N 4.26 1.19 0.00 2.29 3.41 -1.26 -4.35 113.62 119.15 3a4i n SER 28 Ca -0.15 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3a4i n SER 28 Cb 0.52 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 3a4i n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4i n GLY 29 N 1.54 0.65 3.74 5.00 0.00 -1.26 -5.08 105.19 109.79 3a4i n GLY 29 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3a4i n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4i s GLY 30 N -2.00 2.26 0.27 -0.02 0.00 -1.26 -4.88 107.32 101.70 3a4i s GLY 30 Ca 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 3a4i s GLY 30 CO 0.00 1.11 1.93 -0.24 0.00 0.00 0.00 173.10 175.91 3a4i h VAL 31 N -0.15 1.23 0.52 1.40 3.04 -1.95 -1.92 116.25 118.42 3a4i h VAL 31 Ca -0.47 -0.47 -0.03 0.00 -1.01 0.00 0.00 66.70 64.72 3a4i h VAL 31 Cb 1.27 -0.04 0.01 0.00 -2.01 0.00 0.00 31.29 30.52 3a4i h VAL 31 CO 0.52 0.24 -0.25 0.44 -1.01 0.00 0.00 177.57 177.50 3a4i h ASP 32 N 1.21 -0.59 -0.79 3.17 5.19 -1.93 -0.68 116.42 122.00 3a4i h ASP 32 Ca 0.32 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3a4i h ASP 32 Cb -0.10 0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 3a4i h ASP 32 CO -0.07 -0.30 0.42 0.77 -3.12 0.00 0.00 179.24 176.95 3a4i h SER 33 N -0.89 1.00 -0.36 6.45 4.64 -1.81 -1.67 113.55 120.91 3a4i h SER 33 Ca -0.07 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3a4i h SER 33 Cb 0.61 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3a4i h SER 33 CO 0.12 0.81 0.18 0.28 -0.87 0.00 0.00 176.83 177.34 3a4i h SER 34 N 1.12 0.47 -0.26 4.97 0.02 -1.28 -0.63 113.55 117.95 3a4i h SER 34 Ca 0.28 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3a4i h SER 34 Cb 0.04 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3a4i h SER 34 CO -0.04 0.46 -0.07 0.74 -1.14 0.00 0.00 176.83 176.78 3a4i h THR 35 N 0.45 1.28 -0.86 -2.27 2.02 -0.89 -1.85 112.91 110.80 3a4i h THR 35 Ca 0.12 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 66.24 3a4i h THR 35 Cb 0.11 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3a4i h THR 35 CO -0.02 0.34 0.56 0.00 0.37 0.00 0.00 175.52 176.78 3a4i h ALA 36 N 0.77 1.43 -0.39 6.16 0.00 -1.23 -2.19 119.26 123.81 3a4i h ALA 36 Ca 0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3a4i h ALA 36 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3a4i h ALA 36 CO 0.03 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.82 3a4i h ALA 37 N 1.48 0.52 -0.44 0.00 0.00 -0.79 -1.30 119.26 118.74 3a4i h ALA 37 Ca 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3a4i h ALA 37 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3a4i h ALA 37 CO -0.08 0.27 0.19 0.28 0.00 0.00 0.00 179.25 179.90 3a4i h VAL 38 N 0.50 1.20 -0.15 0.00 2.07 -1.07 0.49 116.25 119.29 3a4i h VAL 38 Ca 0.11 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3a4i h VAL 38 Cb 0.42 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3a4i h VAL 38 CO 0.01 0.22 -0.02 -0.07 0.02 0.00 0.00 177.57 177.74 3a4i h LEU 39 N 0.57 -0.09 -0.95 2.57 3.38 -1.25 0.39 115.31 119.93 3a4i h LEU 39 Ca 0.15 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3a4i h LEU 39 Cb 0.17 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3a4i h LEU 39 CO -0.01 -0.03 0.49 0.00 0.09 0.00 0.00 178.44 178.98 3a4i h ALA 40 N 1.14 1.20 -0.58 1.53 0.00 -1.13 -1.52 119.26 119.89 3a4i h ALA 40 Ca 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a4i h ALA 40 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3a4i h ALA 40 CO -0.13 0.65 0.12 1.25 0.00 0.00 0.00 179.25 181.14 3a4i h HIS 41 N 1.24 1.01 -0.42 0.00 -0.00 -0.50 0.15 115.15 116.61 3a4i h HIS 41 Ca 0.31 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.52 3a4i h HIS 41 Cb 0.02 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 3a4i h HIS 41 CO 0.01 0.87 0.15 0.87 -0.00 0.00 0.00 177.93 179.82 3a4i h LYS 42 N 0.86 0.61 0.01 5.26 1.57 -0.58 0.13 116.57 124.42 3a4i h LYS 42 Ca 0.18 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3a4i h LYS 42 Cb 0.39 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3a4i h LYS 42 CO 0.01 0.52 -0.00 0.00 -0.57 0.00 0.00 179.45 179.41 3a4i h ALA 43 N 1.56 -0.01 0.00 3.86 0.00 -0.62 -3.41 119.26 120.64 3a4i h ALA 43 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a4i h ALA 43 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a4i h ALA 43 CO -0.01 -0.30 0.00 0.44 0.00 0.00 0.00 179.25 179.38 3a4i n ILE 44 N -4.90 0.13 0.00 0.00 -5.35 0.47 -4.73 119.36 104.98 3a4i n ILE 44 Ca -0.08 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3a4i n ILE 44 Cb 0.21 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 3a4i n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4i n GLY 45 N -0.07 3.29 0.00 3.28 0.00 0.45 -1.78 105.19 110.37 3a4i n GLY 45 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.27 3a4i n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a4i n ASP 46 N 5.29 0.00 -0.20 1.61 8.00 -1.26 -1.42 116.55 128.58 3a4i n ASP 46 Ca 0.00 0.34 0.14 0.00 0.71 0.00 0.00 54.79 55.97 3a4i n ASP 46 Cb 0.00 -0.41 0.49 0.00 -0.02 0.00 0.00 41.12 41.18 3a4i n ASP 46 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a4i n ARG 47 N -1.41 0.80 -3.18 -1.24 1.74 -0.73 -4.75 116.66 107.89 3a4i n ARG 47 Ca 0.04 -0.39 -0.39 0.00 -0.77 0.00 0.00 57.85 56.34 3a4i n ARG 47 Cb 0.11 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.01 3a4i n ARG 47 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3a4i s LEU 48 N -2.47 4.26 -0.30 0.55 2.96 -0.51 -1.44 118.68 121.74 3a4i s LEU 48 Ca 0.27 0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 55.11 3a4i s LEU 48 Cb 0.20 -2.87 0.05 0.00 0.50 0.00 0.00 46.19 44.06 3a4i s LEU 48 CO 0.49 -0.10 0.00 -1.00 -1.32 0.00 0.00 176.35 174.43 3a4i s HIS 49 N 0.95 3.24 0.01 5.38 3.76 0.02 -4.19 115.29 124.46 3a4i s HIS 49 Ca 0.31 -1.79 -0.19 0.00 -0.15 0.00 0.00 55.06 53.24 3a4i s HIS 49 Cb -0.16 -2.12 -0.06 0.00 1.11 0.00 0.00 32.58 31.35 3a4i s HIS 49 CO 0.13 -0.79 0.54 0.00 -0.85 0.00 0.00 174.74 173.77 3a4i s ALA 50 N 1.28 3.57 -0.12 -1.40 0.00 0.29 -1.63 121.76 123.74 3a4i s ALA 50 Ca -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.90 3a4i s ALA 50 Cb -0.19 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.31 3a4i s ALA 50 CO -0.01 0.30 -0.20 0.08 0.00 0.00 0.00 175.76 175.93 3a4i s VAL 51 N -0.63 1.88 -0.23 0.00 1.01 0.23 -0.27 120.40 122.38 3a4i s VAL 51 Ca 0.28 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.39 3a4i s VAL 51 Cb -0.18 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.57 3a4i s VAL 51 CO 0.16 0.52 -0.11 0.12 0.00 0.00 0.00 175.10 175.79 3a4i s PHE 52 N 0.80 3.05 -0.40 5.22 5.36 -0.21 -0.22 117.98 131.58 3a4i s PHE 52 Ca -0.09 -1.81 -0.16 0.00 -0.96 0.00 0.00 56.93 53.91 3a4i s PHE 52 Cb -0.16 -1.98 0.01 0.00 -0.34 0.00 0.00 43.02 40.55 3a4i s PHE 52 CO -0.00 -0.80 0.35 0.08 -1.46 0.00 0.00 175.22 173.38 3a4i s VAL 53 N 1.25 5.20 -0.68 3.12 1.01 -1.26 -1.00 120.40 128.03 3a4i s VAL 53 Ca -0.01 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 3a4i s VAL 53 Cb -0.17 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.30 3a4i s VAL 53 CO -0.07 -0.29 1.37 0.21 0.00 0.00 0.00 175.10 176.32 3a4i s ASN 54 N 1.73 6.06 0.30 3.32 3.04 -0.00 -4.85 114.94 124.54 3a4i s ASN 54 Ca 0.08 -0.16 0.26 0.00 0.04 0.00 0.00 52.86 53.07 3a4i s ASN 54 Cb -0.18 -2.55 0.95 0.00 -1.54 0.00 0.00 41.25 37.93 3a4i s ASN 54 CO 0.11 -1.86 1.76 0.71 -3.04 0.00 0.00 177.10 174.79 3a4i h THR 55 N 6.22 0.00 0.00 -5.21 1.35 -1.87 -1.43 112.91 111.96 3a4i h THR 55 Ca -0.27 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3a4i h THR 55 Cb 1.07 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3a4i h THR 55 CO 1.25 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.13 3a4i n GLY 56 N 0.44 1.54 0.72 5.82 0.00 -1.26 -4.32 105.19 108.12 3a4i n GLY 56 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3a4i n GLY 56 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a4i n PHE 57 N -2.00 0.75 -2.61 1.61 0.99 -1.26 -5.00 117.46 109.94 3a4i n PHE 57 Ca 0.00 -0.90 -0.25 0.00 -0.00 0.00 0.00 57.45 56.30 3a4i n PHE 57 Cb 0.00 -0.28 0.03 0.00 -1.00 0.00 0.00 39.48 38.23 3a4i n PHE 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3a4i s LEU 58 N -2.83 3.34 0.63 4.37 1.43 -1.26 -0.34 118.68 124.02 3a4i s LEU 58 Ca 0.40 0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.80 3a4i s LEU 58 Cb 0.33 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 3a4i s LEU 58 CO 0.08 -1.00 1.12 -0.13 0.23 0.00 0.00 176.35 176.65 3a4i s ARG 59 N -4.84 2.93 0.12 1.70 0.52 -1.26 -4.88 118.95 113.24 3a4i s ARG 59 Ca 0.53 1.45 -0.35 0.00 -0.52 0.00 0.00 55.73 56.83 3a4i s ARG 59 Cb -0.10 -1.96 -0.16 0.00 0.52 0.00 0.00 34.95 33.25 3a4i s ARG 59 CO 0.42 -1.16 1.37 1.17 0.02 0.00 0.00 175.30 177.12 3a4i n LYS 60 N -2.14 1.40 0.00 3.54 4.81 -1.26 -1.78 118.16 122.72 3a4i n LYS 60 Ca 0.11 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 3a4i n LYS 60 Cb 0.52 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3a4i n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a4i n GLY 61 N 2.63 2.75 0.12 3.14 0.00 -1.26 -4.91 105.19 107.65 3a4i n GLY 61 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3a4i n GLY 61 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a4i h GLU 62 N 1.57 0.10 -0.24 1.61 4.57 -1.71 -1.47 114.58 119.01 3a4i h GLU 62 Ca 0.00 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3a4i h GLU 62 Cb 0.00 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 3a4i h GLU 62 CO 0.00 0.07 0.05 -1.35 -1.18 0.00 0.00 179.01 176.60 3a4i h PRO 63 N 0.11 0.14 -0.70 0.92 0.11 -1.91 0.69 132.00 131.35 3a4i h PRO 63 Ca 0.11 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.29 3a4i h PRO 63 Cb 0.13 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.15 3a4i h PRO 63 CO -0.17 0.09 0.38 0.93 -0.21 0.00 0.00 178.00 179.02 3a4i h GLU 64 N 0.14 0.65 -0.38 1.05 3.07 -1.93 -1.73 114.58 115.45 3a4i h GLU 64 Ca 0.11 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 3a4i h GLU 64 Cb 0.11 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3a4i h GLU 64 CO -0.14 0.43 -0.19 0.35 -1.40 0.00 0.00 179.01 178.06 3a4i h PHE 65 N 0.67 0.92 -0.42 4.33 3.57 -0.66 -0.77 116.94 124.59 3a4i h PHE 65 Ca 0.33 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3a4i h PHE 65 Cb 0.27 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3a4i h PHE 65 CO -0.09 0.98 0.14 0.28 -2.23 0.00 0.00 178.31 177.40 3a4i h VAL 66 N 0.60 1.21 -0.01 1.41 2.07 -0.65 -0.64 116.25 120.25 3a4i h VAL 66 Ca 0.09 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3a4i h VAL 66 Cb 0.74 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3a4i h VAL 66 CO 0.06 0.25 0.01 0.58 0.02 0.00 0.00 177.57 178.48 3a4i h VAL 67 N 0.54 1.03 -0.66 2.57 2.07 -1.22 -0.24 116.25 120.33 3a4i h VAL 67 Ca 0.14 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.64 3a4i h VAL 67 Cb 0.24 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3a4i h VAL 67 CO -0.01 0.02 0.37 0.50 0.02 0.00 0.00 177.57 178.48 3a4i h LYS 68 N -0.01 0.67 0.22 1.57 3.64 -1.00 -0.27 116.57 121.39 3a4i h LYS 68 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3a4i h LYS 68 Cb 0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3a4i h LYS 68 CO -0.00 0.45 -0.11 1.15 -2.27 0.00 0.00 179.45 178.67 3a4i h THR 69 N 0.69 0.80 0.19 1.00 2.02 -0.93 -0.42 112.91 116.26 3a4i h THR 69 Ca 0.29 -0.87 -0.35 0.00 0.77 0.00 0.00 66.41 66.26 3a4i h THR 69 Cb 0.17 1.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3a4i h THR 69 CO -0.17 0.17 -1.70 -0.26 0.37 0.00 0.00 175.52 173.93 3a4i h PHE 70 N -0.79 0.72 0.02 3.16 -1.00 -0.94 -0.90 116.94 117.20 3a4i h PHE 70 Ca -0.03 -0.52 -0.00 0.00 2.81 0.00 0.00 57.97 60.23 3a4i h PHE 70 Cb 0.51 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.04 3a4i h PHE 70 CO 0.06 1.63 -0.01 -0.09 -1.61 0.00 0.00 178.31 178.28 3a4i h ARG 71 N 0.11 -0.03 0.00 1.51 2.43 -1.23 0.28 114.38 117.45 3a4i h ARG 71 Ca -0.32 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3a4i h ARG 71 Cb 2.10 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 3a4i h ARG 71 CO 0.19 0.58 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.79 3a4i h ASP 72 N -0.97 -0.00 0.06 -3.80 3.32 -1.28 -2.55 116.42 111.19 3a4i h ASP 72 Ca -0.00 -0.93 -0.09 0.00 0.02 0.00 0.00 57.03 56.04 3a4i h ASP 72 Cb 0.62 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.18 3a4i h ASP 72 CO 0.00 0.95 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.76 3a4i h GLU 73 N -0.98 0.12 0.00 3.56 5.08 -0.87 -3.36 114.58 118.13 3a4i h GLU 73 Ca -0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3a4i h GLU 73 Cb 0.93 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3a4i h GLU 73 CO 0.00 1.10 -0.45 1.19 -1.00 0.00 0.00 179.01 179.85 3a4i n PHE 74 N -4.40 0.28 -2.68 4.33 3.72 -0.36 -4.98 117.46 113.37 3a4i n PHE 74 Ca -0.13 0.08 -0.15 0.00 -0.05 0.00 0.00 57.45 57.20 3a4i n PHE 74 Cb 0.63 -0.49 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 3a4i n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a4i n GLY 75 N 1.42 -0.16 3.86 1.37 0.00 -0.96 -4.98 105.19 105.74 3a4i n GLY 75 Ca 0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 3a4i n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a4i s MET 76 N -5.20 3.93 -0.23 1.61 -1.94 0.06 -4.98 119.30 112.55 3a4i s MET 76 Ca 0.17 0.66 -0.28 0.00 -1.71 0.00 0.00 55.69 54.52 3a4i s MET 76 Cb -0.07 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 3a4i s MET 76 CO 0.20 0.03 1.97 -0.80 -0.01 0.00 0.00 175.02 176.41 3a4i s ASN 77 N -2.67 5.83 -0.24 3.03 0.01 -1.26 -4.41 114.94 115.23 3a4i s ASN 77 Ca 0.54 1.73 0.02 0.00 -0.71 0.00 0.00 52.86 54.44 3a4i s ASN 77 Cb -0.10 -2.52 0.05 0.00 0.41 0.00 0.00 41.25 39.09 3a4i s ASN 77 CO 0.24 -1.69 -0.11 -0.22 -1.51 0.00 0.00 177.10 173.80 3a4i s LEU 78 N 7.03 2.97 -0.50 0.60 2.96 -1.26 -0.55 118.68 129.93 3a4i s LEU 78 Ca 0.88 -1.19 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 3a4i s LEU 78 Cb -0.29 -1.44 0.04 0.00 0.50 0.00 0.00 46.19 45.00 3a4i s LEU 78 CO 0.34 -0.16 0.79 -1.00 -1.32 0.00 0.00 176.35 175.00 3a4i s HIS 79 N 1.21 2.94 -0.21 5.38 3.76 0.63 -4.98 115.29 124.01 3a4i s HIS 79 Ca -0.05 -0.10 -0.22 0.00 -0.15 0.00 0.00 55.06 54.53 3a4i s HIS 79 Cb -0.18 -3.76 -0.02 0.00 1.11 0.00 0.00 32.58 29.73 3a4i s HIS 79 CO -0.07 -1.13 0.68 -0.47 -0.85 0.00 0.00 174.74 172.90 3a4i s TYR 80 N 3.33 3.35 -0.30 1.40 6.14 -1.26 -1.05 117.35 128.96 3a4i s TYR 80 Ca 0.26 0.96 0.00 0.00 0.64 0.00 0.00 57.07 58.93 3a4i s TYR 80 Cb -0.14 -2.87 0.06 0.00 0.42 0.00 0.00 41.96 39.43 3a4i s TYR 80 CO 0.18 -0.25 -0.01 0.08 0.64 0.00 0.00 175.55 176.19 3a4i s VAL 81 N 2.21 2.69 -0.78 3.14 1.01 -0.17 -4.98 120.40 123.52 3a4i s VAL 81 Ca 0.30 -1.60 -0.24 0.00 0.00 0.00 0.00 61.98 60.43 3a4i s VAL 81 Cb -0.16 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3a4i s VAL 81 CO 0.10 -0.17 1.20 -0.62 0.00 0.00 0.00 175.10 175.61 3a4i s ASP 82 N 1.22 6.26 -0.08 3.32 3.68 -1.26 -0.82 116.67 128.98 3a4i s ASP 82 Ca -0.04 -0.90 0.15 0.00 2.13 0.00 0.00 52.55 53.88 3a4i s ASP 82 Cb -0.20 -2.51 0.49 0.00 -1.45 0.00 0.00 42.92 39.25 3a4i s ASP 82 CO -0.03 -1.60 1.41 0.00 0.13 0.00 0.00 175.17 175.07 3a4i n ALA 83 N 8.57 2.65 -0.17 3.66 0.00 -0.57 -4.77 120.51 129.89 3a4i n ALA 83 Ca 0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 53.44 51.88 3a4i n ALA 83 Cb 0.48 -0.68 0.05 0.00 0.00 0.00 0.00 19.45 19.30 3a4i n ALA 83 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3a4i h GLN 84 N 2.54 0.03 -0.84 0.00 4.20 -1.67 -1.71 115.11 117.65 3a4i h GLN 84 Ca 0.00 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3a4i h GLN 84 Cb 1.13 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.86 3a4i h GLN 84 CO 0.12 0.02 0.55 -0.44 -0.67 0.00 0.00 178.83 178.41 3a4i h ASP 85 N 0.03 0.92 -0.35 1.46 3.45 -1.88 -0.69 116.42 119.35 3a4i h ASP 85 Ca 0.25 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 3a4i h ASP 85 Cb 0.39 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3a4i h ASP 85 CO -0.51 0.64 0.17 0.03 -1.57 0.00 0.00 179.24 178.00 3a4i h ARG 86 N 1.08 0.50 -0.21 3.56 3.08 -1.71 -0.07 114.38 120.61 3a4i h ARG 86 Ca 0.33 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3a4i h ARG 86 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3a4i h ARG 86 CO -0.10 0.45 -0.12 0.74 -1.07 0.00 0.00 179.97 179.87 3a4i h PHE 87 N 0.42 0.52 -0.77 3.04 0.04 -0.96 -1.24 116.94 118.00 3a4i h PHE 87 Ca 0.12 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3a4i h PHE 87 Cb 0.12 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3a4i h PHE 87 CO -0.02 0.75 0.49 0.74 -0.60 0.00 0.00 178.31 179.67 3a4i h PHE 88 N 0.15 1.00 -0.58 -0.55 0.04 -1.10 -1.60 116.94 114.30 3a4i h PHE 88 Ca 0.04 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 3a4i h PHE 88 Cb 0.62 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 3a4i h PHE 88 CO 0.07 0.66 0.17 0.77 -0.60 0.00 0.00 178.31 179.37 3a4i h SER 89 N 1.06 0.86 -0.15 2.17 0.02 -0.99 -2.30 113.55 114.22 3a4i h SER 89 Ca 0.28 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3a4i h SER 89 Cb -0.07 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3a4i h SER 89 CO -0.06 0.85 0.03 0.00 -1.14 0.00 0.00 176.83 176.52 3a4i h ALA 90 N 1.04 1.63 -0.02 3.77 0.00 -0.87 -2.81 119.26 122.01 3a4i h ALA 90 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a4i h ALA 90 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3a4i h ALA 90 CO -0.00 0.28 -0.10 1.28 0.00 0.00 0.00 179.25 180.71 3a4i n LEU 91 N -4.38 1.69 -4.68 0.00 4.77 -0.63 -4.92 117.00 108.85 3a4i n LEU 91 Ca 0.00 -0.55 -0.47 0.00 -0.03 0.00 0.00 56.01 54.96 3a4i n LEU 91 Cb 0.17 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3a4i n LEU 91 CO 0.37 0.29 1.46 1.17 -1.33 0.00 0.00 177.39 179.35 3a4i n LYS 92 N 0.17 2.26 -0.97 3.23 4.81 -0.88 -1.71 118.16 125.06 3a4i n LYS 92 Ca 0.16 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 3a4i n LYS 92 Cb 0.40 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.78 3a4i n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a4i n GLY 93 N 4.28 0.96 3.67 3.14 0.00 -1.26 -5.01 105.19 110.97 3a4i n GLY 93 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3a4i n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4i s VAL 94 N -3.82 4.85 -0.03 1.61 1.01 -0.69 -4.89 120.40 118.44 3a4i s VAL 94 Ca 0.00 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.78 3a4i s VAL 94 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3a4i s VAL 94 CO 0.00 0.01 0.10 0.35 0.00 0.00 0.00 175.10 175.55 3a4i n THR 95 N 4.75 0.17 -2.50 3.92 -2.24 -1.26 -3.67 114.28 113.45 3a4i n THR 95 Ca 0.06 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3a4i n THR 95 Cb 0.49 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.57 3a4i n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a4i s ASP 96 N -3.17 7.03 0.37 3.42 -1.08 -1.26 -4.48 116.67 117.50 3a4i s ASP 96 Ca -0.03 1.66 0.05 0.00 -0.52 0.00 0.00 52.55 53.71 3a4i s ASP 96 Cb 0.03 -2.55 0.71 0.00 -1.46 0.00 0.00 42.92 39.66 3a4i s ASP 96 CO 0.27 -0.66 1.97 -0.65 0.52 0.00 0.00 175.17 176.62 3a4i h PRO 97 N 7.75 0.58 -0.62 4.34 0.11 -1.97 -1.14 132.00 141.04 3a4i h PRO 97 Ca -0.28 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 3a4i h PRO 97 Cb 1.12 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3a4i h PRO 97 CO 0.93 0.48 0.15 0.93 -0.21 0.00 0.00 178.00 180.28 3a4i h GLU 98 N 0.58 0.99 -0.67 1.05 4.39 -1.99 -2.08 114.58 116.86 3a4i h GLU 98 Ca 0.14 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3a4i h GLU 98 Cb 0.11 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3a4i h GLU 98 CO -0.02 0.90 0.12 0.93 -1.16 0.00 0.00 179.01 179.79 3a4i h GLU 99 N 0.91 1.09 -0.25 2.33 5.08 -1.78 -1.36 114.58 120.60 3a4i h GLU 99 Ca 0.20 -0.28 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3a4i h GLU 99 Cb 0.35 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3a4i h GLU 99 CO 0.00 0.99 0.09 0.87 -1.00 0.00 0.00 179.01 179.96 3a4i h LYS 100 N 1.03 0.20 -0.47 2.33 1.57 -1.02 -0.05 116.57 120.15 3a4i h LYS 100 Ca 0.21 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3a4i h LYS 100 Cb 0.41 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3a4i h LYS 100 CO 0.01 0.13 0.20 0.00 -0.57 0.00 0.00 179.45 179.22 3a4i h ARG 101 N 0.21 0.69 0.03 3.15 3.08 -1.26 -1.19 114.38 119.09 3a4i h ARG 101 Ca 0.11 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a4i h ARG 101 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3a4i h ARG 101 CO -0.11 0.61 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.14 3a4i h LYS 102 N 0.61 -0.08 -0.37 0.04 3.64 -0.98 -1.96 116.57 117.47 3a4i h LYS 102 Ca 0.16 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3a4i h LYS 102 Cb 0.17 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3a4i h LYS 102 CO -0.02 -0.05 0.16 0.82 -2.27 0.00 0.00 179.45 178.09 3a4i h ILE 103 N -0.08 1.18 -0.49 2.00 2.04 -0.91 -1.21 117.51 120.04 3a4i h ILE 103 Ca 0.01 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3a4i h ILE 103 Cb 0.08 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3a4i h ILE 103 CO -0.02 0.20 0.26 0.40 0.00 0.00 0.00 178.15 178.99 3a4i h ILE 104 N 0.46 0.98 0.02 -0.67 2.04 -1.15 0.42 117.51 119.60 3a4i h ILE 104 Ca 0.12 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3a4i h ILE 104 Cb 0.17 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3a4i h ILE 104 CO -0.01 0.09 -0.21 1.23 0.00 0.00 0.00 178.15 179.25 3a4i h GLY 105 N 0.51 -0.32 0.41 5.37 0.00 -1.19 -0.01 103.07 107.84 3a4i h GLY 105 Ca 0.21 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.87 3a4i h GLY 105 CO -0.14 -0.19 0.04 -0.09 0.00 0.00 0.00 176.54 176.16 3a4i h ARG 106 N -0.35 0.16 -0.33 4.80 2.43 -0.87 -2.23 114.38 117.99 3a4i h ARG 106 Ca 0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3a4i h ARG 106 Cb 0.42 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3a4i h ARG 106 CO -0.19 0.10 -0.35 0.28 -1.51 0.00 0.00 179.97 178.31 3a4i h VAL 107 N 0.16 1.28 -0.10 0.20 2.07 -0.78 -1.87 116.25 117.21 3a4i h VAL 107 Ca 0.20 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.23 3a4i h VAL 107 Cb 0.27 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3a4i h VAL 107 CO -0.30 0.49 0.01 0.15 0.02 0.00 0.00 177.57 177.95 3a4i h PHE 108 N 0.62 0.02 -0.49 1.57 3.57 -0.75 -1.41 116.94 120.07 3a4i h PHE 108 Ca 0.06 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.63 3a4i h PHE 108 Cb 0.88 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3a4i h PHE 108 CO 0.04 0.01 0.20 0.82 -2.23 0.00 0.00 178.31 177.15 3a4i h ILE 109 N 0.06 0.88 0.14 1.41 1.08 -1.25 0.10 117.51 119.92 3a4i h ILE 109 Ca 0.04 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 3a4i h ILE 109 Cb 0.04 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.20 3a4i h ILE 109 CO -0.06 0.07 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.78 3a4i h GLU 110 N 0.39 -0.58 -0.65 2.37 5.08 -1.01 0.24 114.58 120.42 3a4i h GLU 110 Ca 0.23 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3a4i h GLU 110 Cb 0.21 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3a4i h GLU 110 CO -0.21 -0.39 0.43 0.28 -1.00 0.00 0.00 179.01 178.12 3a4i h VAL 111 N -0.60 1.16 -0.38 3.13 2.07 -1.02 -1.59 116.25 119.02 3a4i h VAL 111 Ca 0.02 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3a4i h VAL 111 Cb 0.63 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3a4i h VAL 111 CO -0.20 0.16 -0.40 0.15 0.02 0.00 0.00 177.57 177.30 3a4i h PHE 112 N 0.87 1.12 -0.80 1.57 3.57 -0.58 -2.35 116.94 120.34 3a4i h PHE 112 Ca 0.24 -0.34 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3a4i h PHE 112 Cb -0.10 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 3a4i h PHE 112 CO -0.03 1.17 0.44 1.49 -2.23 0.00 0.00 178.31 179.15 3a4i h GLU 113 N 0.76 1.13 -0.46 1.11 4.81 -0.41 -0.74 114.58 120.77 3a4i h GLU 113 Ca 0.06 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3a4i h GLU 113 Cb 0.99 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 3a4i h GLU 113 CO 0.10 0.83 0.22 1.49 -0.73 0.00 0.00 179.01 180.92 3a4i h GLU 114 N 1.12 0.42 -0.18 1.92 4.81 -1.11 -1.97 114.58 119.60 3a4i h GLU 114 Ca 0.28 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3a4i h GLU 114 Cb 0.04 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3a4i h GLU 114 CO -0.04 0.28 -0.14 0.28 -0.73 0.00 0.00 179.01 178.66 3a4i h VAL 115 N 0.44 1.33 -0.85 0.32 2.07 -1.19 -3.23 116.25 115.14 3a4i h VAL 115 Ca 0.20 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.55 3a4i h VAL 115 Cb 0.12 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 3a4i h VAL 115 CO -0.15 0.38 0.55 0.00 0.02 0.00 0.00 177.57 178.37 3a4i h ALA 116 N 0.65 1.67 -0.61 1.67 0.00 -0.97 -2.06 119.26 119.61 3a4i h ALA 116 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a4i h ALA 116 Cb 0.66 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3a4i h ALA 116 CO 0.04 0.16 0.07 -0.22 0.00 0.00 0.00 179.25 179.29 3a4i h LYS 117 N 0.83 1.04 0.00 0.00 3.64 -1.40 -2.08 116.57 118.60 3a4i h LYS 117 Ca 0.39 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3a4i h LYS 117 Cb 0.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3a4i h LYS 117 CO -0.16 0.98 -0.22 0.87 -2.27 0.00 0.00 179.45 178.66 3a4i h LYS 118 N 0.94 0.00 0.15 1.90 6.56 -1.40 -3.20 116.57 121.52 3a4i h LYS 118 Ca 0.18 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.46 3a4i h LYS 118 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 3a4i h LYS 118 CO 0.02 0.22 -1.53 0.82 -2.06 0.00 0.00 179.45 176.91 3a4i h ILE 119 N 0.00 1.17 -1.74 1.86 2.04 -1.11 -3.49 117.51 116.25 3a4i h ILE 119 Ca -0.00 -2.76 -0.10 0.00 1.00 0.00 0.00 64.86 62.99 3a4i h ILE 119 Cb 0.54 2.83 0.02 0.00 -0.74 0.00 0.00 36.82 39.47 3a4i h ILE 119 CO 0.03 0.83 -0.16 0.61 0.00 0.00 0.00 178.15 179.46 3a4i n GLY 120 N 1.70 0.43 3.77 5.37 0.00 -0.82 -5.03 105.19 110.61 3a4i n GLY 120 Ca -0.17 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 3a4i n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4i s ALA 121 N -2.81 2.60 -0.06 4.61 0.00 -1.25 -4.69 121.76 120.17 3a4i s ALA 121 Ca 0.10 0.70 0.16 0.00 0.00 0.00 0.00 51.96 52.92 3a4i s ALA 121 Cb -0.04 -3.34 -0.24 0.00 0.00 0.00 0.00 23.12 19.50 3a4i s ALA 121 CO 0.12 -0.98 0.28 -1.91 0.00 0.00 0.00 175.76 173.27 3a4i n GLU 122 N -1.78 0.78 -4.29 0.00 2.13 -0.13 -4.92 120.64 112.43 3a4i n GLU 122 Ca 0.11 -0.11 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 3a4i n GLU 122 Cb 0.51 -1.39 -0.13 0.00 0.27 0.00 0.00 31.44 30.70 3a4i n GLU 122 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3a4i s TYR 123 N -2.93 1.42 -0.21 4.31 2.02 -1.10 -1.65 117.35 119.21 3a4i s TYR 123 Ca -0.07 -0.41 -0.00 0.00 -0.37 0.00 0.00 57.07 56.22 3a4i s TYR 123 Cb 0.09 -0.81 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 3a4i s TYR 123 CO 0.67 0.09 -0.14 -1.17 -1.57 0.00 0.00 175.55 173.44 3a4i s LEU 124 N -1.59 2.59 -0.04 -1.29 2.96 0.12 -1.02 118.68 120.42 3a4i s LEU 124 Ca 0.02 -0.70 -0.21 0.00 -0.22 0.00 0.00 54.13 53.02 3a4i s LEU 124 Cb -0.09 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 3a4i s LEU 124 CO 0.02 -0.04 0.60 -0.63 -1.32 0.00 0.00 176.35 174.98 3a4i s ILE 125 N 1.32 4.99 0.06 6.68 -1.09 -0.28 -0.60 121.20 132.27 3a4i s ILE 125 Ca 0.03 1.24 0.06 0.00 -2.23 0.00 0.00 60.65 59.75 3a4i s ILE 125 Cb -0.15 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 3a4i s ILE 125 CO -0.09 0.37 -0.16 -1.10 -1.23 0.00 0.00 174.94 172.73 3a4i s GLN 126 N 0.15 1.00 -0.16 2.79 -0.21 -0.35 -4.45 119.66 118.43 3a4i s GLN 126 Ca 0.32 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.82 3a4i s GLN 126 Cb -0.18 -1.07 0.31 0.00 1.00 0.00 0.00 33.01 33.08 3a4i s GLN 126 CO 0.16 0.26 1.25 0.41 -2.12 0.00 0.00 175.29 175.25 3a4i n GLY 127 N 1.58 2.70 3.64 3.09 0.00 -1.26 -4.16 105.19 110.78 3a4i n GLY 127 Ca -0.19 -0.43 -0.47 0.00 0.00 0.00 0.00 46.02 44.93 3a4i n GLY 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a4i n THR 128 N -0.02 0.49 -4.49 2.61 -1.04 -1.26 -4.62 114.28 105.95 3a4i n THR 128 Ca 0.20 -0.12 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 3a4i n THR 128 Cb 0.87 -1.28 -0.10 0.00 -1.82 0.00 0.00 70.33 67.99 3a4i n THR 128 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3a4i s ILE 129 N 0.31 2.36 0.14 12.58 -4.36 -1.26 -2.35 121.20 128.62 3a4i s ILE 129 Ca 0.75 -2.33 -0.31 0.00 -0.26 0.00 0.00 60.65 58.50 3a4i s ILE 129 Cb -0.74 -2.41 -0.08 0.00 1.25 0.00 0.00 42.46 40.48 3a4i s ILE 129 CO 0.46 -0.34 1.42 0.00 0.24 0.00 0.00 174.94 176.72 3a4i s ALA 130 N -2.57 3.62 0.00 2.27 0.00 0.26 -4.90 121.76 120.44 3a4i s ALA 130 Ca 0.31 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.44 3a4i s ALA 130 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3a4i s ALA 130 CO 0.15 -0.64 0.00 -2.30 0.00 0.00 0.00 175.76 172.97 3a4i n PRO 131 N 3.78 0.00 0.00 0.00 -0.01 -1.26 -4.45 135.00 133.06 3a4i n PRO 131 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.60 3a4i n PRO 131 Cb 0.41 -0.06 0.00 0.00 -0.01 0.00 0.00 33.50 33.84 3a4i n PRO 131 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 3a4i n ASN 154 N 0.00 0.00 -3.92 2.55 2.04 -1.26 -5.09 115.26 109.58 3a4i n ASN 154 Ca 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.98 3a4i n ASN 154 Cb 0.00 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.10 3a4i n ASN 154 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3a4i s LEU 155 N 0.00 1.79 0.24 -4.53 1.43 -1.26 -4.88 118.68 111.46 3a4i s LEU 155 Ca 0.00 -0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3a4i s LEU 155 Cb 0.00 -0.26 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 3a4i s LEU 155 CO 0.00 0.02 0.92 -0.54 0.23 0.00 0.00 176.35 176.98 3a4i s LYS 156 N 0.20 4.80 -0.11 1.70 1.02 -0.66 -4.71 119.74 121.98 3a4i s LYS 156 Ca -0.02 1.43 -0.14 0.00 0.02 0.00 0.00 55.97 57.26 3a4i s LYS 156 Cb -0.05 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3a4i s LYS 156 CO -0.00 0.50 0.34 -1.17 -0.92 0.00 0.00 175.35 174.10 3a4i s LEU 157 N -1.26 4.32 -0.13 3.17 2.96 -1.26 0.11 118.68 126.58 3a4i s LEU 157 Ca 0.41 0.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 3a4i s LEU 157 Cb -0.25 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.00 3a4i s LEU 157 CO 0.31 0.16 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.73 3a4i s ILE 158 N 0.00 1.49 -0.59 6.68 1.01 0.23 -4.93 121.20 125.09 3a4i s ILE 158 Ca 0.20 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.29 3a4i s ILE 158 Cb -0.14 -1.40 0.15 0.00 0.01 0.00 0.00 42.46 41.08 3a4i s ILE 158 CO 0.07 0.44 0.37 -1.61 0.00 0.00 0.00 174.94 174.22 3a4i s GLU 159 N 1.33 2.05 0.50 2.79 2.02 -1.26 -1.21 118.70 124.91 3a4i s GLU 159 Ca 0.01 -2.85 0.33 0.00 0.02 0.00 0.00 54.97 52.48 3a4i s GLU 159 Cb -0.14 -3.13 1.42 0.00 0.10 0.00 0.00 34.13 32.39 3a4i s GLU 159 CO -0.07 -1.21 1.97 -1.00 0.02 0.00 0.00 175.26 174.96 3a4i h PRO 160 N 5.97 0.00 -0.60 0.39 0.13 -1.88 -2.86 132.00 133.15 3a4i h PRO 160 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3a4i h PRO 160 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3a4i h PRO 160 CO 0.66 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.71 3a4i n LEU 161 N -2.88 3.61 0.16 1.56 4.77 -1.26 -4.70 117.00 118.26 3a4i n LEU 161 Ca 0.00 -1.99 0.17 0.00 -0.03 0.00 0.00 56.01 54.16 3a4i n LEU 161 Cb 0.25 -0.40 0.77 0.00 -2.33 0.00 0.00 43.42 41.71 3a4i n LEU 161 CO 0.24 0.90 1.15 -0.09 -1.33 0.00 0.00 177.39 178.26 3a4i h ARG 162 N 3.54 0.00 -0.10 3.23 2.43 -1.23 -1.67 114.38 120.59 3a4i h ARG 162 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a4i h ARG 162 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3a4i h ARG 162 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 3a4i n ASP 163 N -4.02 2.77 -4.74 -3.80 8.00 -1.26 -2.76 116.55 110.74 3a4i n ASP 163 Ca 0.03 -1.90 -0.33 0.00 0.71 0.00 0.00 54.79 53.30 3a4i n ASP 163 Cb 0.38 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.35 3a4i n ASP 163 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a4i s LEU 164 N -1.88 3.77 0.51 0.64 1.43 -0.63 -4.76 118.68 117.76 3a4i s LEU 164 Ca 0.32 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 3a4i s LEU 164 Cb 0.21 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.33 3a4i s LEU 164 CO 0.31 0.30 0.72 -0.31 0.23 0.00 0.00 176.35 177.59 3a4i s TYR 165 N -1.11 2.88 0.27 0.29 1.51 -1.26 -0.57 117.35 119.35 3a4i s TYR 165 Ca 0.20 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 3a4i s TYR 165 Cb -0.12 -2.63 0.53 0.00 -0.11 0.00 0.00 41.96 39.64 3a4i s TYR 165 CO 0.11 -0.72 1.82 -0.22 -1.11 0.00 0.00 175.55 175.42 3a4i h LYS 166 N 0.24 0.88 -0.43 -0.62 1.63 -1.99 -0.90 116.57 115.37 3a4i h LYS 166 Ca -0.42 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.28 3a4i h LYS 166 Cb 1.29 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 3a4i h LYS 166 CO 0.51 0.58 0.08 0.38 -3.45 0.00 0.00 179.45 177.55 3a4i h ASP 167 N 0.91 0.67 -0.51 4.20 -0.00 -1.99 -1.98 116.42 117.71 3a4i h ASP 167 Ca 0.48 -0.25 -0.05 0.00 -0.00 0.00 0.00 57.03 57.21 3a4i h ASP 167 Cb 0.51 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.64 3a4i h ASP 167 CO -0.28 0.75 0.12 -0.33 -0.00 0.00 0.00 179.24 179.51 3a4i h GLU 168 N 0.57 0.82 -0.57 4.15 5.08 -1.65 -1.49 114.58 121.49 3a4i h GLU 168 Ca 0.13 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3a4i h GLU 168 Cb 0.35 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3a4i h GLU 168 CO 0.01 0.78 0.35 0.28 -1.00 0.00 0.00 179.01 179.43 3a4i h VAL 169 N 0.71 1.09 -0.85 3.13 2.07 -1.14 -0.28 116.25 120.98 3a4i h VAL 169 Ca 0.16 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3a4i h VAL 169 Cb 0.33 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3a4i h VAL 169 CO 0.00 0.13 0.56 0.03 0.02 0.00 0.00 177.57 178.31 3a4i h ARG 170 N 0.70 1.10 -0.26 1.57 3.08 -1.07 0.28 114.38 119.78 3a4i h ARG 170 Ca 0.22 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3a4i h ARG 170 Cb -0.01 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3a4i h ARG 170 CO -0.08 0.73 0.15 0.93 -1.07 0.00 0.00 179.97 180.62 3a4i h GLU 171 N 1.14 0.37 -0.47 0.04 5.08 -0.76 -2.04 114.58 117.94 3a4i h GLU 171 Ca 0.31 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3a4i h GLU 171 Cb -0.12 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3a4i h GLU 171 CO -0.07 0.32 0.25 1.25 -1.00 0.00 0.00 179.01 179.76 3a4i h LEU 172 N 0.31 0.59 -0.59 1.33 5.85 -0.75 -0.80 115.31 121.26 3a4i h LEU 172 Ca 0.09 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3a4i h LEU 172 Cb 0.06 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3a4i h LEU 172 CO -0.01 0.53 0.28 0.00 -0.34 0.00 0.00 178.44 178.89 3a4i h ALA 173 N 1.09 0.77 -0.13 1.25 0.00 -0.84 0.24 119.26 121.64 3a4i h ALA 173 Ca 0.16 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3a4i h ALA 173 Cb 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3a4i h ALA 173 CO -0.02 -0.09 -0.08 -0.22 0.00 0.00 0.00 179.25 178.84 3a4i h LYS 174 N 0.52 -0.08 -0.84 0.00 3.64 -1.11 -1.66 116.57 117.04 3a4i h LYS 174 Ca 0.28 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3a4i h LYS 174 Cb 0.24 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 3a4i h LYS 174 CO -0.22 -0.05 0.55 0.35 -2.27 0.00 0.00 179.45 177.81 3a4i h PHE 175 N -0.08 1.01 0.00 1.91 3.04 -0.07 -1.94 116.94 120.81 3a4i h PHE 175 Ca 0.08 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.05 3a4i h PHE 175 Cb 0.20 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.37 3a4i h PHE 175 CO -0.21 0.60 0.00 1.28 -2.02 0.00 0.00 178.31 177.96 3a4i n LEU 176 N -4.44 0.00 0.00 0.59 4.77 0.74 -4.89 117.00 113.77 3a4i n LEU 176 Ca 0.11 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3a4i n LEU 176 Cb 0.09 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3a4i n LEU 176 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3a4i n GLY 177 N 0.76 0.70 3.75 -0.72 0.00 -0.73 -5.05 105.19 103.91 3a4i n GLY 177 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3a4i n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4i s LEU 178 N 0.00 3.78 0.65 0.99 1.43 -0.65 -4.97 118.68 119.91 3a4i s LEU 178 Ca 0.00 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.47 3a4i s LEU 178 Cb 0.00 -4.42 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 3a4i s LEU 178 CO 0.00 -1.50 1.12 -2.16 0.23 0.00 0.00 176.35 174.03 3a4i s PRO 179 N -3.07 2.83 0.38 1.29 0.04 -1.26 -4.63 135.00 130.56 3a4i s PRO 179 Ca 0.73 1.43 0.05 0.00 0.04 0.00 0.00 61.00 63.26 3a4i s PRO 179 Cb -0.34 -1.95 0.75 0.00 0.04 0.00 0.00 34.50 32.99 3a4i s PRO 179 CO 0.39 -1.24 2.02 1.49 0.04 0.00 0.00 177.00 179.70 3a4i h GLU 180 N 0.14 0.70 -0.94 4.56 4.22 -1.99 -0.57 114.58 120.69 3a4i h GLU 180 Ca -0.47 -0.04 0.24 0.00 0.08 0.00 0.00 59.36 59.16 3a4i h GLU 180 Cb 1.25 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 3a4i h GLU 180 CO 0.54 0.46 0.63 0.87 -2.18 0.00 0.00 179.01 179.34 3a4i h LYS 181 N 0.72 0.29 0.00 1.92 1.57 -1.96 -1.13 116.57 117.98 3a4i h LYS 181 Ca 0.22 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 3a4i h LYS 181 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3a4i h LYS 181 CO -0.05 0.19 -1.16 0.82 -0.57 0.00 0.00 179.45 178.68 3a4i h ILE 182 N 0.30 0.86 0.00 1.86 2.04 -1.47 -3.29 117.51 117.81 3a4i h ILE 182 Ca 0.49 -2.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 3a4i h ILE 182 Cb 1.41 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 3a4i h ILE 182 CO -0.16 0.29 -0.21 0.10 0.00 0.00 0.00 178.15 178.18 3a4i h TYR 183 N -1.00 0.00 -0.36 1.37 -0.00 -1.17 -2.47 116.97 113.34 3a4i h TYR 183 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 3a4i h TYR 183 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 3a4i h TYR 183 CO 0.08 0.21 0.00 0.09 -0.00 0.00 0.00 178.16 178.53 3a4i n ASN 184 N -3.38 3.35 -4.76 0.10 3.02 -0.44 -4.79 115.26 108.36 3a4i n ASN 184 Ca 0.00 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.20 3a4i n ASN 184 Cb 0.42 -0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 3a4i n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a4i s ARG 185 N -1.54 3.20 0.38 3.52 1.70 -0.93 -4.99 118.95 120.29 3a4i s ARG 185 Ca 0.38 1.90 -0.25 0.00 -0.47 0.00 0.00 55.73 57.29 3a4i s ARG 185 Cb 0.22 -2.11 -0.09 0.00 -0.57 0.00 0.00 34.95 32.40 3a4i s ARG 185 CO 0.31 -1.04 1.07 -1.64 -1.08 0.00 0.00 175.30 172.92 3a4i s MET 186 N -3.09 4.25 0.53 3.89 -1.94 -1.26 -5.00 119.30 116.68 3a4i s MET 186 Ca 0.73 1.59 -0.21 0.00 -1.71 0.00 0.00 55.69 56.08 3a4i s MET 186 Cb -0.32 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 33.79 3a4i s MET 186 CO 0.36 -0.08 1.22 -1.25 -0.01 0.00 0.00 175.02 175.26 3a4i s PRO 187 N -2.28 3.33 -0.06 2.03 0.04 -1.26 -5.02 135.00 131.78 3a4i s PRO 187 Ca 0.55 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3a4i s PRO 187 Cb -0.24 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.13 3a4i s PRO 187 CO 0.31 -0.94 -0.03 0.12 0.04 0.00 0.00 177.00 176.50 3a4i s PHE 188 N -1.51 0.76 0.56 0.56 5.36 -1.26 -4.98 117.98 117.45 3a4i s PHE 188 Ca 0.71 -0.22 -0.21 0.00 -0.96 0.00 0.00 56.93 56.25 3a4i s PHE 188 Cb -0.32 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.59 3a4i s PHE 188 CO 0.37 -0.25 1.28 -1.25 -1.46 0.00 0.00 175.22 173.91 3a4i s PRO 189 N 1.26 3.13 0.20 10.12 0.04 -1.26 -4.90 135.00 143.59 3a4i s PRO 189 Ca -0.06 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 3a4i s PRO 189 Cb -0.14 -2.15 0.16 0.00 0.04 0.00 0.00 34.50 32.41 3a4i s PRO 189 CO -0.02 -1.14 1.59 0.78 0.04 0.00 0.00 177.00 178.25 3a4i h GLY 190 N 1.31 0.02 1.89 0.56 0.00 -2.01 0.68 103.07 105.51 3a4i h GLY 190 Ca -0.51 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3a4i h GLY 190 CO 0.57 -0.22 0.00 -1.55 0.00 0.00 0.00 176.54 175.34 3a4i n PRO 191 N -5.44 0.04 0.00 4.80 -0.04 -1.26 -4.95 135.00 128.14 3a4i n PRO 191 Ca 0.05 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3a4i n PRO 191 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3a4i n PRO 191 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a4i n GLY 192 N -0.48 2.78 0.05 0.55 0.00 0.23 -2.30 105.19 106.02 3a4i n GLY 192 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.72 3a4i n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a4i n LEU 193 N 0.00 0.21 0.23 0.99 4.77 0.53 -2.79 117.00 120.94 3a4i n LEU 193 Ca 0.00 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.60 3a4i n LEU 193 Cb 0.00 -0.55 0.54 0.00 -2.33 0.00 0.00 43.42 41.07 3a4i n LEU 193 CO 0.00 -0.45 0.93 0.00 -1.33 0.00 0.00 177.39 176.54 3a4i h ALA 194 N 2.28 1.74 -0.41 -1.18 0.00 -1.70 -0.39 119.26 119.60 3a4i h ALA 194 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a4i h ALA 194 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a4i h ALA 194 CO 0.00 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.76 3a4i n VAL 195 N -4.34 0.54 -0.36 0.00 0.24 -1.12 -3.58 118.33 109.72 3a4i n VAL 195 Ca -0.03 -0.59 0.06 0.00 -2.04 0.00 0.00 64.34 61.74 3a4i n VAL 195 Cb 0.22 0.41 0.18 0.00 -1.47 0.00 0.00 33.84 33.17 3a4i n VAL 195 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3a4i n ARG 196 N 0.85 2.90 -4.08 7.34 1.74 -0.17 -3.99 116.66 121.25 3a4i n ARG 196 Ca 0.16 -2.23 -0.32 0.00 -0.77 0.00 0.00 57.85 54.69 3a4i n ARG 196 Cb 0.41 -1.40 -0.16 0.00 -1.02 0.00 0.00 32.46 30.30 3a4i n ARG 196 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3a4i s VAL 197 N -1.40 2.01 -0.04 1.55 1.01 -1.16 -0.68 120.40 121.69 3a4i s VAL 197 Ca 0.28 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3a4i s VAL 197 Cb 0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3a4i s VAL 197 CO 0.14 0.34 1.27 -0.63 0.00 0.00 0.00 175.10 176.22 3a4i s ILE 198 N 1.26 4.06 0.00 2.22 -1.09 -0.53 -4.77 121.20 122.36 3a4i s ILE 198 Ca 0.00 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 3a4i s ILE 198 Cb -0.15 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3a4i s ILE 198 CO -0.10 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 3a4i n GLY 199 N 3.46 -1.78 3.75 6.18 0.00 -1.26 -4.59 105.19 110.94 3a4i n GLY 199 Ca 0.12 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 3a4i n GLY 199 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a4i s GLU 200 N 0.00 4.41 0.03 1.61 -1.05 -1.24 -4.71 118.70 117.75 3a4i s GLU 200 Ca 0.00 2.05 -0.24 0.00 -0.15 0.00 0.00 54.97 56.63 3a4i s GLU 200 Cb 0.00 -3.17 -0.05 0.00 -0.44 0.00 0.00 34.13 30.47 3a4i s GLU 200 CO 0.00 -0.18 0.74 0.08 0.95 0.00 0.00 175.26 176.85 3a4i s VAL 201 N -0.29 4.78 0.11 1.83 1.01 -1.26 -4.99 120.40 121.59 3a4i s VAL 201 Ca 0.54 1.57 0.03 0.00 0.00 0.00 0.00 61.98 64.11 3a4i s VAL 201 Cb -0.36 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 3a4i s VAL 201 CO 0.41 0.36 -0.08 0.42 0.00 0.00 0.00 175.10 176.22 3a4i s THR 202 N 0.01 0.82 0.26 3.92 -4.23 -1.26 -4.65 115.64 110.51 3a4i s THR 202 Ca 0.38 -1.90 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 3a4i s THR 202 Cb -0.20 -1.64 0.24 0.00 1.34 0.00 0.00 72.50 72.24 3a4i s THR 202 CO 0.22 -0.80 1.72 -0.65 -0.54 0.00 0.00 174.62 174.57 3a4i h PRO 203 N 3.04 0.42 -0.49 3.99 0.11 -1.97 -1.16 132.00 135.94 3a4i h PRO 203 Ca -0.36 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 3a4i h PRO 203 Cb 1.17 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3a4i h PRO 203 CO 0.62 0.28 -0.12 1.49 -0.21 0.00 0.00 178.00 180.06 3a4i h GLU 204 N 0.43 0.95 -0.58 1.05 4.57 -1.99 -0.36 114.58 118.66 3a4i h GLU 204 Ca 0.45 -0.36 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 3a4i h GLU 204 Cb 0.74 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3a4i h GLU 204 CO -0.44 1.03 0.01 0.87 -1.18 0.00 0.00 179.01 179.30 3a4i h LYS 205 N 0.80 0.99 -0.56 1.92 1.57 -1.83 -1.37 116.57 118.08 3a4i h LYS 205 Ca 0.12 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 3a4i h LYS 205 Cb 0.68 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3a4i h LYS 205 CO 0.05 0.96 -0.02 0.82 -0.57 0.00 0.00 179.45 180.70 3a4i h ILE 206 N 0.91 1.26 -0.19 1.86 1.08 -1.07 -1.39 117.51 119.98 3a4i h ILE 206 Ca 0.17 -1.13 0.01 0.00 -0.39 0.00 0.00 64.86 63.52 3a4i h ILE 206 Cb 0.51 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3a4i h ILE 206 CO 0.03 0.41 0.08 -0.09 -0.69 0.00 0.00 178.15 177.88 3a4i h ARG 207 N 0.90 0.17 0.06 2.37 2.43 -0.51 0.20 114.38 120.00 3a4i h ARG 207 Ca 0.16 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3a4i h ARG 207 Cb 0.54 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3a4i h ARG 207 CO 0.03 0.11 -0.03 0.82 -1.51 0.00 0.00 179.97 179.40 3a4i h ILE 208 N 0.18 0.97 -0.10 1.20 2.04 -1.15 -2.24 117.51 118.42 3a4i h ILE 208 Ca 0.08 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3a4i h ILE 208 Cb 0.03 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3a4i h ILE 208 CO -0.07 0.03 -0.39 1.62 0.00 0.00 0.00 178.15 179.34 3a4i h VAL 209 N -0.13 1.30 -0.40 1.67 3.04 -1.06 -1.29 116.25 119.38 3a4i h VAL 209 Ca -0.01 -1.46 0.01 0.00 -1.01 0.00 0.00 66.70 64.23 3a4i h VAL 209 Cb 0.11 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 3a4i h VAL 209 CO 0.01 0.44 0.25 -0.09 -1.01 0.00 0.00 177.57 177.17 3a4i h ARG 210 N 0.18 0.50 -0.56 4.17 2.43 -0.43 0.20 114.38 120.88 3a4i h ARG 210 Ca 0.02 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3a4i h ARG 210 Cb 0.78 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3a4i h ARG 210 CO 0.06 0.33 0.01 0.93 -1.51 0.00 0.00 179.97 179.80 3a4i h GLU 211 N 0.52 0.97 -0.49 0.20 5.08 -1.09 -1.56 114.58 118.20 3a4i h GLU 211 Ca 0.15 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3a4i h GLU 211 Cb -0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3a4i h GLU 211 CO -0.05 0.97 0.12 0.00 -1.00 0.00 0.00 179.01 179.06 3a4i h ALA 212 N 0.97 0.65 -0.78 3.43 0.00 -0.99 -2.10 119.26 120.44 3a4i h ALA 212 Ca 0.16 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3a4i h ALA 212 Cb 0.52 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3a4i h ALA 212 CO 0.03 0.33 0.45 -0.97 0.00 0.00 0.00 179.25 179.09 3a4i h ASN 213 N 0.67 0.67 -0.42 0.00 -1.24 -0.37 -1.49 115.58 113.41 3a4i h ASN 213 Ca 0.15 0.03 -0.10 0.00 0.71 0.00 0.00 56.30 57.10 3a4i h ASN 213 Cb 0.32 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 3a4i h ASN 213 CO 0.00 0.41 -0.09 0.00 -1.29 0.00 0.00 177.43 176.46 3a4i h ALA 214 N 1.41 0.93 -0.37 1.57 0.00 -0.98 -0.57 119.26 121.25 3a4i h ALA 214 Ca 0.36 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a4i h ALA 214 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3a4i h ALA 214 CO -0.21 0.62 0.07 0.82 0.00 0.00 0.00 179.25 180.56 3a4i h ILE 215 N 0.78 1.23 -0.04 0.00 2.04 -1.05 -0.20 117.51 120.28 3a4i h ILE 215 Ca 0.13 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.20 3a4i h ILE 215 Cb 0.60 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3a4i h ILE 215 CO 0.04 0.28 -0.09 0.58 0.00 0.00 0.00 178.15 178.96 3a4i h VAL 216 N 0.45 0.76 -0.48 1.67 2.07 -0.94 -1.07 116.25 118.70 3a4i h VAL 216 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3a4i h VAL 216 Cb 0.34 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3a4i h VAL 216 CO 0.00 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.56 3a4i h GLU 217 N -0.13 0.66 -0.47 1.57 5.08 -0.95 -0.07 114.58 120.27 3a4i h GLU 217 Ca 0.05 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3a4i h GLU 217 Cb 0.20 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3a4i h GLU 217 CO -0.12 0.48 0.22 0.93 -1.00 0.00 0.00 179.01 179.52 3a4i h GLU 218 N 0.64 0.42 -0.04 2.33 5.08 -0.88 -0.93 114.58 121.21 3a4i h GLU 218 Ca 0.17 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 3a4i h GLU 218 Cb -0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3a4i h GLU 218 CO -0.03 0.28 -0.79 0.93 -1.00 0.00 0.00 179.01 178.39 3a4i h GLU 219 N 0.44 0.31 -0.51 2.33 4.39 -0.92 -0.18 114.58 120.44 3a4i h GLU 219 Ca 0.21 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3a4i h GLU 219 Cb 0.13 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3a4i h GLU 219 CO -0.16 0.96 0.32 0.28 -1.16 0.00 0.00 179.01 179.24 3a4i h VAL 220 N 0.20 1.15 -0.30 3.13 2.07 -0.85 -1.98 116.25 119.67 3a4i h VAL 220 Ca -0.04 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3a4i h VAL 220 Cb 1.39 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3a4i h VAL 220 CO 0.13 0.15 -0.05 -0.08 0.02 0.00 0.00 177.57 177.75 3a4i h GLU 221 N 0.69 0.57 -0.92 1.57 4.81 -1.02 -1.20 114.58 119.08 3a4i h GLU 221 Ca 0.19 -0.21 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3a4i h GLU 221 Cb -0.02 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 3a4i h GLU 221 CO -0.04 0.74 0.56 -0.09 -0.73 0.00 0.00 179.01 179.46 3a4i h ARG 222 N 0.34 0.91 -0.01 1.92 2.43 -0.95 -1.43 114.38 117.59 3a4i h ARG 222 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a4i h ARG 222 Cb 0.52 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3a4i h ARG 222 CO 0.03 0.60 0.00 0.00 -1.51 0.00 0.00 179.97 179.09 3a4i n ALA 223 N -2.36 2.63 -1.91 2.80 0.00 -0.75 -4.91 120.51 116.01 3a4i n ALA 223 Ca 0.16 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 3a4i n ALA 223 Cb 0.28 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3a4i n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4i n GLY 224 N 1.06 0.36 3.78 0.00 0.00 -0.54 -4.99 105.19 104.87 3a4i n GLY 224 Ca 0.21 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3a4i n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4i s LEU 225 N -2.96 4.48 -0.57 0.99 1.43 -0.48 -5.00 118.68 116.57 3a4i s LEU 225 Ca 0.00 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 54.87 3a4i s LEU 225 Cb 0.00 -3.62 0.22 0.00 0.03 0.00 0.00 46.19 42.82 3a4i s LEU 225 CO 0.00 0.08 0.59 0.54 0.23 0.00 0.00 176.35 177.79 3a4i n ARG 226 N 1.09 1.69 -2.18 1.70 5.12 -1.26 -4.59 116.66 118.22 3a4i n ARG 226 Ca -0.02 -4.13 -0.26 0.00 -1.93 0.00 0.00 57.85 51.51 3a4i n ARG 226 Cb 0.49 -1.97 0.07 0.00 -1.16 0.00 0.00 32.46 29.90 3a4i n ARG 226 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3a4i s PRO 227 N -1.65 2.18 0.02 5.56 0.04 -1.26 -5.00 135.00 134.89 3a4i s PRO 227 Ca 0.34 -0.23 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 3a4i s PRO 227 Cb 0.10 -2.15 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 3a4i s PRO 227 CO -0.09 -1.27 1.40 2.35 0.04 0.00 0.00 177.00 179.44 3a4i h TRP 228 N -0.63 -0.19 -3.76 0.56 2.91 -1.10 -3.46 115.95 110.27 3a4i h TRP 228 Ca -0.45 -0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.42 3a4i h TRP 228 Cb 1.32 0.06 -0.20 0.00 -0.51 0.00 0.00 29.16 29.82 3a4i h TRP 228 CO 0.33 0.10 -0.59 -0.65 -1.03 0.00 0.00 178.44 176.61 3a4i s GLN 229 N -5.03 0.41 -0.14 2.65 -0.21 -1.18 -4.33 119.66 111.84 3a4i s GLN 229 Ca -0.15 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 3a4i s GLN 229 Cb 0.03 0.16 0.07 0.00 1.00 0.00 0.00 33.01 34.27 3a4i s GLN 229 CO 0.62 -0.09 0.28 0.00 -2.12 0.00 0.00 175.29 173.98 3a4i s ALA 230 N -1.55 -0.62 0.32 6.09 0.00 -1.26 -1.54 121.76 123.21 3a4i s ALA 230 Ca -0.14 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 3a4i s ALA 230 Cb -0.08 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.98 3a4i s ALA 230 CO -0.00 -0.71 0.68 -0.59 0.00 0.00 0.00 175.76 175.14 3a4i s PHE 231 N 2.44 0.14 0.11 0.00 -0.12 0.17 -4.71 117.98 116.01 3a4i s PHE 231 Ca 0.02 -0.64 0.09 0.00 -0.05 0.00 0.00 56.93 56.35 3a4i s PHE 231 Cb -0.12 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3a4i s PHE 231 CO -0.09 -1.30 -0.18 0.00 -0.05 0.00 0.00 175.22 173.59 3a4i s ALA 232 N -3.28 2.66 -0.05 1.99 0.00 -1.26 -0.77 121.76 121.05 3a4i s ALA 232 Ca 0.17 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.81 3a4i s ALA 232 Cb -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.44 3a4i s ALA 232 CO 0.10 0.59 -0.11 0.08 0.00 0.00 0.00 175.76 176.43 3a4i s VAL 233 N -1.12 0.97 -0.40 0.00 1.01 0.38 -4.82 120.40 116.43 3a4i s VAL 233 Ca 0.17 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3a4i s VAL 233 Cb -0.11 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3a4i s VAL 233 CO 0.09 0.31 0.76 -0.22 0.00 0.00 0.00 175.10 176.04 3a4i s LEU 234 N 0.52 4.21 0.36 3.92 2.96 0.14 -0.59 118.68 130.21 3a4i s LEU 234 Ca -0.10 0.11 0.19 0.00 -0.22 0.00 0.00 54.13 54.11 3a4i s LEU 234 Cb -0.13 -2.95 0.33 0.00 0.50 0.00 0.00 46.19 43.93 3a4i s LEU 234 CO 0.02 -0.79 1.57 -0.07 -1.32 0.00 0.00 176.35 175.77 3a4i h LEU 235 N 9.84 0.00 0.00 -0.68 3.38 -1.43 -1.40 115.31 125.02 3a4i h LEU 235 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3a4i h LEU 235 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3a4i h LEU 235 CO 0.92 0.29 0.00 0.61 0.09 0.00 0.00 178.44 180.34 3a4i n GLY 236 N 0.98 3.20 3.75 0.83 0.00 -1.26 -4.65 105.19 108.04 3a4i n GLY 236 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3a4i n GLY 236 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4i s VAL 237 N -2.26 3.41 0.20 1.61 1.01 -1.26 -4.96 120.40 118.16 3a4i s VAL 237 Ca 0.00 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.40 3a4i s VAL 237 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3a4i s VAL 237 CO 0.00 0.28 -0.19 -0.54 0.00 0.00 0.00 175.10 174.65 3a4i s LYS 238 N -1.04 1.43 -0.03 2.72 1.02 -1.26 -2.98 119.74 119.59 3a4i s LYS 238 Ca 0.48 -1.55 -0.14 0.00 0.02 0.00 0.00 55.97 54.79 3a4i s LYS 238 Cb -0.33 -1.50 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 3a4i s LYS 238 CO 0.41 0.29 0.30 0.99 -0.92 0.00 0.00 175.35 176.42 3a4i s THR 239 N -2.25 0.05 0.24 2.17 2.01 -0.73 -4.90 115.64 112.22 3a4i s THR 239 Ca 0.21 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 3a4i s THR 239 Cb -0.05 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3a4i s THR 239 CO 0.09 -0.23 0.49 0.68 -0.69 0.00 0.00 174.62 174.96 3a4i s VAL 240 N -1.08 5.08 0.00 3.82 -7.23 -1.26 -0.53 120.40 119.20 3a4i s VAL 240 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3a4i s VAL 240 Cb -0.05 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.19 3a4i s VAL 240 CO 0.03 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3a4i n GLY 241 N -0.62 4.26 0.32 2.32 0.00 -1.26 -5.00 105.19 105.20 3a4i n GLY 241 Ca -0.02 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.96 3a4i n GLY 241 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a4i n VAL 242 N -0.14 1.19 -4.35 1.61 0.24 -1.26 -4.68 118.33 110.94 3a4i n VAL 242 Ca 0.00 -1.19 -0.19 0.00 -2.04 0.00 0.00 64.34 60.92 3a4i n VAL 242 Cb 0.00 0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 32.60 3a4i n VAL 242 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a4i s GLN 243 N -1.32 0.87 6.60 7.34 -2.07 -1.26 -5.01 119.66 124.81 3a4i s GLN 243 Ca 0.15 -0.65 0.00 0.00 -1.82 0.00 0.00 55.36 53.04 3a4i s GLN 243 Cb 0.10 -0.85 0.00 0.00 -1.09 0.00 0.00 33.01 31.17 3a4i s GLN 243 CO 0.07 0.21 0.00 0.41 -1.32 0.00 0.00 175.29 174.66 3a4i n GLY 244 N 2.11 1.82 3.55 2.60 0.00 -1.26 -4.24 105.19 109.77 3a4i n GLY 244 Ca -0.17 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3a4i n GLY 244 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a4i s ASP 245 N -4.00 6.00 0.00 1.61 -1.08 -1.26 -4.81 116.67 113.13 3a4i s ASP 245 Ca 0.00 -0.61 0.20 0.00 -0.52 0.00 0.00 52.55 51.62 3a4i s ASP 245 Cb 0.00 -2.56 1.18 0.00 -1.46 0.00 0.00 42.92 40.08 3a4i s ASP 245 CO 0.00 -1.94 1.71 2.30 0.52 0.00 0.00 175.17 177.77 3a4i n ILE 246 N 6.81 0.00 0.77 4.11 -5.35 -1.26 -2.25 119.36 122.19 3a4i n ILE 246 Ca 0.18 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.74 3a4i n ILE 246 Cb 0.50 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 3a4i n ILE 246 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3a4i n ARG 247 N -0.83 1.59 -2.67 6.28 5.12 -1.26 -4.59 116.66 120.30 3a4i n ARG 247 Ca 0.15 -0.87 -0.43 0.00 -1.93 0.00 0.00 57.85 54.77 3a4i n ARG 247 Cb 0.07 -1.31 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 3a4i n ARG 247 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a4i s ALA 248 N -1.99 3.65 -0.02 7.54 0.00 -0.96 -5.00 121.76 124.98 3a4i s ALA 248 Ca 0.15 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 3a4i s ALA 248 Cb 0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3a4i s ALA 248 CO 0.43 -1.13 1.10 0.71 0.00 0.00 0.00 175.76 176.87 3a4i s TYR 249 N 3.27 3.45 0.31 0.00 1.51 -1.26 -4.45 117.35 120.18 3a4i s TYR 249 Ca 0.44 1.45 0.08 0.00 -1.01 0.00 0.00 57.07 58.03 3a4i s TYR 249 Cb -0.14 -3.29 -0.04 0.00 -0.11 0.00 0.00 41.96 38.38 3a4i s TYR 249 CO 0.08 -0.70 0.12 0.15 -1.11 0.00 0.00 175.55 174.09 3a4i s LYS 250 N 1.57 2.45 0.77 -0.62 1.02 0.31 -4.86 119.74 120.38 3a4i s LYS 250 Ca 0.54 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 3a4i s LYS 250 Cb -0.23 -2.24 0.05 0.00 -0.52 0.00 0.00 37.83 34.89 3a4i s LYS 250 CO 0.24 0.21 1.14 -1.21 -0.92 0.00 0.00 175.35 174.81 3a4i s GLU 251 N -3.81 2.34 -0.06 1.68 0.41 0.54 -1.78 118.70 118.01 3a4i s GLU 251 Ca 0.36 0.29 0.03 0.00 -0.41 0.00 0.00 54.97 55.24 3a4i s GLU 251 Cb -0.04 -1.98 0.01 0.00 -1.78 0.00 0.00 34.13 30.34 3a4i s GLU 251 CO 0.23 -1.37 -0.16 0.99 -0.49 0.00 0.00 175.26 174.46 3a4i s THR 252 N -3.46 1.38 -0.10 3.63 2.01 -1.16 -0.38 115.64 117.56 3a4i s THR 252 Ca 0.60 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 3a4i s THR 252 Cb -0.11 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 3a4i s THR 252 CO 0.51 0.41 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.17 3a4i s ILE 253 N 0.42 3.89 -0.10 1.82 -1.09 -0.16 -1.09 121.20 124.89 3a4i s ILE 253 Ca -0.12 -0.39 -0.04 0.00 -2.23 0.00 0.00 60.65 57.86 3a4i s ILE 253 Cb -0.15 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 3a4i s ILE 253 CO 0.04 0.56 0.08 0.00 -1.23 0.00 0.00 174.94 174.39 3a4i s ALA 254 N -0.40 3.61 -0.19 9.38 0.00 0.25 -0.57 121.76 133.85 3a4i s ALA 254 Ca 0.06 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 3a4i s ALA 254 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 3a4i s ALA 254 CO 0.02 0.61 0.03 0.08 0.00 0.00 0.00 175.76 176.51 3a4i s VAL 255 N -0.98 4.41 -0.19 0.00 1.01 0.75 -0.47 120.40 124.93 3a4i s VAL 255 Ca 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3a4i s VAL 255 Cb -0.12 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.30 3a4i s VAL 255 CO 0.04 0.44 -0.16 -0.60 0.00 0.00 0.00 175.10 174.82 3a4i s ARG 256 N 0.67 2.63 -0.05 2.72 6.06 0.05 -1.07 118.95 129.96 3a4i s ARG 256 Ca 0.02 -0.89 -0.02 0.00 -2.50 0.00 0.00 55.73 52.34 3a4i s ARG 256 Cb -0.14 -2.54 0.03 0.00 0.06 0.00 0.00 34.95 32.36 3a4i s ARG 256 CO 0.02 -0.31 0.03 0.42 -2.50 0.00 0.00 175.30 172.97 3a4i s ILE 257 N 1.30 0.09 0.07 4.11 1.01 -1.26 -0.66 121.20 125.86 3a4i s ILE 257 Ca 0.02 0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.00 3a4i s ILE 257 Cb -0.15 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3a4i s ILE 257 CO -0.11 0.21 -0.11 0.68 0.00 0.00 0.00 174.94 175.61 3a4i s VAL 258 N 2.04 0.91 -0.00 2.92 -7.23 -0.59 -1.10 120.40 117.34 3a4i s VAL 258 Ca 0.04 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.92 3a4i s VAL 258 Cb -0.12 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 3a4i s VAL 258 CO -0.04 -0.34 -0.03 -1.61 -0.31 0.00 0.00 175.10 172.77 3a4i s GLU 259 N -1.93 2.70 -0.13 4.82 2.02 -0.28 -0.54 118.70 125.37 3a4i s GLU 259 Ca -0.03 -0.64 -0.31 0.00 0.02 0.00 0.00 54.97 54.02 3a4i s GLU 259 Cb -0.08 -2.61 0.13 0.00 0.10 0.00 0.00 34.13 31.66 3a4i s GLU 259 CO 0.01 0.62 1.03 0.45 0.02 0.00 0.00 175.26 177.39 3a4i s SER 260 N -1.46 -0.30 -0.06 -0.19 0.15 -1.26 -1.19 113.70 109.39 3a4i s SER 260 Ca 0.18 0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.95 3a4i s SER 260 Cb -0.11 0.28 -0.28 0.00 -1.71 0.00 0.00 66.02 64.19 3a4i s SER 260 CO 0.09 -0.39 0.60 0.40 1.20 0.00 0.00 173.24 175.14 3a4i h ILE 261 N 2.24 0.86 0.00 6.45 2.04 -2.01 -3.44 117.51 123.66 3a4i h ILE 261 Ca -0.17 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.17 3a4i h ILE 261 Cb 1.19 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 3a4i h ILE 261 CO 0.29 0.84 -0.05 -0.90 0.00 0.00 0.00 178.15 178.33 3a4i n ASP 262 N -3.49 0.23 0.00 1.72 5.68 -1.26 -5.01 116.55 114.42 3a4i n ASP 262 Ca -0.25 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 3a4i n ASP 262 Cb 1.06 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 3a4i n ASP 262 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a4i n GLY 263 N 0.23 1.17 0.09 6.12 0.00 -1.26 -4.94 105.19 106.59 3a4i n GLY 263 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3a4i n GLY 263 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3a4i h MET 264 N 3.27 -0.08 -6.70 1.61 1.85 -1.96 -3.44 114.93 109.48 3a4i h MET 264 Ca 0.00 0.01 -0.67 0.00 -0.61 0.00 0.00 59.70 58.43 3a4i h MET 264 Cb 0.00 0.02 -0.24 0.00 0.43 0.00 0.00 31.60 31.81 3a4i h MET 264 CO 0.00 0.51 -0.87 0.95 -0.40 0.00 0.00 176.91 177.11 3a4i s THR 265 N -3.08 2.11 0.03 -0.77 -4.23 -1.26 -4.75 115.64 103.68 3a4i s THR 265 Ca -0.14 -1.54 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3a4i s THR 265 Cb -0.00 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.02 3a4i s THR 265 CO 0.55 0.20 0.35 0.00 -0.54 0.00 0.00 174.62 175.18 3a4i s ALA 266 N -0.94 -0.83 0.02 3.99 0.00 -0.15 -4.36 121.76 119.48 3a4i s ALA 266 Ca 0.12 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.35 3a4i s ALA 266 Cb -0.10 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3a4i s ALA 266 CO 0.04 -0.40 -0.23 0.54 0.00 0.00 0.00 175.76 175.71 3a4i s ASN 267 N -1.89 3.40 0.19 0.00 4.22 -0.33 -0.37 114.94 120.15 3a4i s ASN 267 Ca -0.07 -0.48 -0.33 0.00 -2.14 0.00 0.00 52.86 49.84 3a4i s ASN 267 Cb -0.02 -0.44 -0.14 0.00 1.28 0.00 0.00 41.25 41.93 3a4i s ASN 267 CO -0.01 0.28 1.46 0.00 -2.04 0.00 0.00 177.10 176.79 3a4i n ALA 268 N 1.91 0.93 -2.00 3.54 0.00 -1.25 -1.13 120.51 122.50 3a4i n ALA 268 Ca -0.17 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.31 3a4i n ALA 268 Cb 0.52 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3a4i n ALA 268 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3a4i s MET 269 N 0.23 4.61 -1.16 0.00 1.75 -0.26 -4.80 119.30 119.67 3a4i s MET 269 Ca 0.74 1.73 -0.21 0.00 -1.25 0.00 0.00 55.69 56.71 3a4i s MET 269 Cb -0.70 -3.26 0.04 0.00 2.84 0.00 0.00 34.83 33.75 3a4i s MET 269 CO 0.44 0.11 1.65 1.21 -0.65 0.00 0.00 175.02 177.78 3a4i s ASN 270 N -0.28 6.48 0.05 1.11 2.47 -1.26 -4.97 114.94 118.54 3a4i s ASN 270 Ca 0.48 -1.89 -0.29 0.00 0.42 0.00 0.00 52.86 51.59 3a4i s ASN 270 Cb -0.30 -2.58 -0.05 0.00 -1.45 0.00 0.00 41.25 36.88 3a4i s ASN 270 CO 0.36 -1.53 0.92 -0.69 -3.72 0.00 0.00 177.10 172.44 3a4i s VAL 271 N 5.34 4.71 0.29 -5.21 1.01 -1.26 -4.99 120.40 120.29 3a4i s VAL 271 Ca 0.53 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 64.17 3a4i s VAL 271 Cb 0.01 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 3a4i s VAL 271 CO 0.01 0.26 1.24 -2.65 0.00 0.00 0.00 175.10 173.96 3a4i n PRO 272 N 3.25 1.84 -0.23 2.72 -0.02 -1.26 -4.80 135.00 136.50 3a4i n PRO 272 Ca 0.03 0.65 0.03 0.00 -2.02 0.00 0.00 63.50 62.19 3a4i n PRO 272 Cb 0.50 -2.19 0.15 0.00 -0.02 0.00 0.00 33.50 31.95 3a4i n PRO 272 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3a4i h TRP 273 N 2.87 0.43 0.00 6.00 2.91 -2.00 -0.30 115.95 125.86 3a4i h TRP 273 Ca -0.44 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.60 3a4i h TRP 273 Cb 1.30 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.86 3a4i h TRP 273 CO 0.51 0.06 -0.08 0.93 -1.03 0.00 0.00 178.44 178.83 3a4i h GLU 274 N 0.41 0.00 -0.19 2.65 5.08 -1.99 0.10 114.58 120.63 3a4i h GLU 274 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3a4i h GLU 274 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3a4i h GLU 274 CO -0.38 0.08 -0.21 0.28 -1.00 0.00 0.00 179.01 177.79 3a4i h VAL 275 N 0.00 1.33 -0.79 3.13 2.07 -1.41 -0.67 116.25 119.92 3a4i h VAL 275 Ca -0.00 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 3a4i h VAL 275 Cb 0.16 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3a4i h VAL 275 CO 0.01 0.42 0.32 -0.07 0.02 0.00 0.00 177.57 178.27 3a4i h LEU 276 N 0.15 1.08 -0.69 2.57 3.38 -0.99 -0.56 115.31 120.25 3a4i h LEU 276 Ca 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3a4i h LEU 276 Cb 0.76 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3a4i h LEU 276 CO 0.05 0.96 0.32 1.56 0.09 0.00 0.00 178.44 181.42 3a4i h GLN 277 N 1.14 1.01 -0.41 1.13 4.20 -0.87 -0.02 115.11 121.29 3a4i h GLN 277 Ca 0.26 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3a4i h GLN 277 Cb 0.21 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3a4i h GLN 277 CO -0.02 0.80 0.19 0.00 -0.67 0.00 0.00 178.83 179.13 3a4i h ARG 278 N 0.97 0.60 -0.23 1.46 3.08 -0.69 -0.36 114.38 119.22 3a4i h ARG 278 Ca 0.24 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.21 3a4i h ARG 278 Cb 0.14 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3a4i h ARG 278 CO -0.03 0.53 0.09 0.82 -1.07 0.00 0.00 179.97 180.32 3a4i h ILE 279 N 0.52 0.97 -0.54 2.04 2.04 -0.66 -0.11 117.51 121.77 3a4i h ILE 279 Ca 0.14 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 3a4i h ILE 279 Cb 0.14 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3a4i h ILE 279 CO -0.02 0.04 0.18 0.00 0.00 0.00 0.00 178.15 178.35 3a4i h ALA 280 N 1.13 0.71 0.03 1.87 0.00 -0.82 -1.12 119.26 121.07 3a4i h ALA 280 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3a4i h ALA 280 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3a4i h ALA 280 CO -0.09 0.36 -0.02 0.35 0.00 0.00 0.00 179.25 179.86 3a4i h PHE 281 N 0.75 -0.04 -0.43 0.00 3.04 -0.90 -2.12 116.94 117.24 3a4i h PHE 281 Ca 0.18 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 3a4i h PHE 281 Cb 0.26 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 3a4i h PHE 281 CO 0.01 0.09 0.27 0.00 -2.02 0.00 0.00 178.31 176.67 3a4i h ARG 282 N -0.17 0.58 0.03 1.11 3.08 -0.89 0.50 114.38 118.60 3a4i h ARG 282 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3a4i h ARG 282 Cb 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3a4i h ARG 282 CO 0.01 0.41 -0.01 0.82 -1.07 0.00 0.00 179.97 180.13 3a4i h ILE 283 N 0.57 1.00 -0.15 2.04 2.04 -1.18 0.21 117.51 122.04 3a4i h ILE 283 Ca 0.16 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 3a4i h ILE 283 Cb -0.02 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3a4i h ILE 283 CO -0.03 0.02 -0.39 0.71 0.00 0.00 0.00 178.15 178.45 3a4i h THR 284 N -0.06 1.30 0.00 -0.27 1.35 -1.32 -0.53 112.91 113.38 3a4i h THR 284 Ca -0.00 -1.51 -0.24 0.00 -0.55 0.00 0.00 66.41 64.11 3a4i h THR 284 Cb 0.05 1.62 0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3a4i h THR 284 CO 0.01 0.46 -0.93 0.28 -0.25 0.00 0.00 175.52 175.09 3a4i h SER 285 N 0.29 0.81 0.57 5.36 0.02 -0.68 -3.36 113.55 116.56 3a4i h SER 285 Ca 0.03 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3a4i h SER 285 Cb 0.82 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3a4i h SER 285 CO 0.07 1.45 -1.22 -0.62 -1.14 0.00 0.00 176.83 175.37 3a4i n GLU 286 N -3.95 0.49 -3.86 3.45 1.02 0.71 -4.59 120.64 113.91 3a4i n GLU 286 Ca -0.11 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.74 3a4i n GLU 286 Cb 0.83 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 30.44 3a4i n GLU 286 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3a4i s ILE 287 N -3.33 2.31 -0.03 -3.67 1.01 -0.21 -4.98 121.20 112.29 3a4i s ILE 287 Ca -0.00 -3.36 0.29 0.00 0.00 0.00 0.00 60.65 57.58 3a4i s ILE 287 Cb 0.12 -2.58 0.31 0.00 0.01 0.00 0.00 42.46 40.32 3a4i s ILE 287 CO 0.82 -0.89 1.89 1.55 0.00 0.00 0.00 174.94 178.31 3a4i h PRO 288 N 6.25 0.00 0.00 2.79 0.13 -1.80 -1.03 132.00 138.33 3a4i h PRO 288 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a4i h PRO 288 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3a4i h PRO 288 CO 0.64 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 3a4i n GLU 289 N -2.58 0.20 -4.01 0.86 4.71 -1.26 -4.70 120.64 113.86 3a4i n GLU 289 Ca -0.00 0.43 -0.35 0.00 -0.01 0.00 0.00 57.16 57.23 3a4i n GLU 289 Cb 0.14 -1.88 -0.11 0.00 -1.01 0.00 0.00 31.44 28.58 3a4i n GLU 289 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3a4i s VAL 290 N -3.33 4.40 -0.49 2.62 1.01 -0.39 -0.34 120.40 123.87 3a4i s VAL 290 Ca 0.04 -0.16 0.11 0.00 0.00 0.00 0.00 61.98 61.97 3a4i s VAL 290 Cb 0.09 -3.00 -0.12 0.00 0.00 0.00 0.00 36.38 33.35 3a4i s VAL 290 CO 0.39 0.42 0.46 0.61 0.00 0.00 0.00 175.10 176.98 3a4i n GLY 291 N 4.05 -0.08 3.34 4.51 0.00 0.49 -4.54 105.19 112.96 3a4i n GLY 291 Ca -0.17 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 3a4i n GLY 291 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a4i s ARG 292 N -2.10 0.51 -0.07 1.61 3.52 -1.15 -4.96 118.95 116.31 3a4i s ARG 292 Ca 0.04 0.65 0.03 0.00 -0.13 0.00 0.00 55.73 56.31 3a4i s ARG 292 Cb 0.08 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 3a4i s ARG 292 CO 0.46 -0.08 -0.15 0.08 -0.81 0.00 0.00 175.30 174.81 3a4i s VAL 293 N 0.40 1.34 0.11 7.11 1.01 -1.26 -0.99 120.40 128.13 3a4i s VAL 293 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3a4i s VAL 293 Cb -0.04 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3a4i s VAL 293 CO -0.01 0.40 -0.21 -0.76 0.00 0.00 0.00 175.10 174.51 3a4i s LEU 294 N 0.60 2.31 -0.14 3.92 1.43 0.27 -4.99 118.68 122.09 3a4i s LEU 294 Ca -0.15 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 3a4i s LEU 294 Cb -0.16 -0.91 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 3a4i s LEU 294 CO 0.05 0.06 -0.18 -0.47 0.23 0.00 0.00 176.35 176.04 3a4i s TYR 295 N -1.23 2.73 -0.10 0.29 6.04 -1.26 -0.18 117.35 123.64 3a4i s TYR 295 Ca 0.08 -1.02 -0.30 0.00 0.04 0.00 0.00 57.07 55.87 3a4i s TYR 295 Cb -0.10 -1.84 -0.04 0.00 -1.04 0.00 0.00 41.96 38.95 3a4i s TYR 295 CO 0.05 -0.44 1.42 0.34 -1.54 0.00 0.00 175.55 175.37 3a4i s ASP 296 N 0.65 6.84 -0.21 4.32 -1.08 -0.23 -4.90 116.67 122.05 3a4i s ASP 296 Ca -0.09 1.95 0.15 0.00 -0.52 0.00 0.00 52.55 54.04 3a4i s ASP 296 Cb -0.16 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.36 3a4i s ASP 296 CO 0.02 -0.80 1.52 2.30 0.52 0.00 0.00 175.17 178.73 3a4i n ILE 297 N 5.27 2.47 -4.04 4.11 -5.35 -1.26 -4.75 119.36 115.80 3a4i n ILE 297 Ca 0.15 -1.86 -0.35 0.00 -0.27 0.00 0.00 62.75 60.42 3a4i n ILE 297 Cb 0.44 -0.28 -0.09 0.00 -1.74 0.00 0.00 39.64 37.97 3a4i n ILE 297 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3a4i s THR 298 N -2.88 4.83 0.75 7.28 2.01 -1.26 -4.79 115.64 121.58 3a4i s THR 298 Ca 0.46 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 3a4i s THR 298 Cb 0.37 -3.15 0.07 0.00 0.01 0.00 0.00 72.50 69.81 3a4i s THR 298 CO 0.10 0.50 1.09 0.20 -0.69 0.00 0.00 174.62 175.82 3a4i s ASN 299 N -0.02 4.67 -0.25 3.53 0.01 -1.26 -3.96 114.94 117.66 3a4i s ASN 299 Ca 0.06 0.61 -0.01 0.00 -0.71 0.00 0.00 52.86 52.82 3a4i s ASN 299 Cb -0.12 -1.19 0.03 0.00 0.41 0.00 0.00 41.25 40.39 3a4i s ASN 299 CO 0.01 -1.74 -0.07 -0.75 -1.51 0.00 0.00 177.10 173.04 3a4i s LYS 300 N -5.40 2.68 0.90 -0.60 2.20 0.50 -0.91 119.74 119.11 3a4i s LYS 300 Ca 0.61 -1.08 -0.12 0.00 -0.36 0.00 0.00 55.97 55.03 3a4i s LYS 300 Cb -0.11 -2.97 0.13 0.00 -1.51 0.00 0.00 37.83 33.37 3a4i s LYS 300 CO 0.47 -0.45 1.09 -1.25 -0.36 0.00 0.00 175.35 174.85 3a4i s PRO 301 N 1.27 1.24 0.01 4.03 0.04 -1.26 -0.98 135.00 139.36 3a4i s PRO 301 Ca -0.02 0.83 0.26 0.00 0.04 0.00 0.00 61.00 62.11 3a4i s PRO 301 Cb -0.17 -1.81 0.60 0.00 0.04 0.00 0.00 34.50 33.16 3a4i s PRO 301 CO -0.05 -2.26 1.49 -0.35 0.04 0.00 0.00 177.00 175.88 3a4i n PRO 302 N -3.89 0.03 -3.97 0.56 -0.04 -0.81 -4.99 135.00 121.89 3a4i n PRO 302 Ca 0.07 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.26 3a4i n PRO 302 Cb 0.55 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 3a4i n PRO 302 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a4i s ALA 303 N -3.02 3.87 0.81 0.55 0.00 -0.09 -5.09 121.76 118.79 3a4i s ALA 303 Ca 0.11 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 3a4i s ALA 303 Cb 0.17 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.68 3a4i s ALA 303 CO 0.67 0.66 1.09 0.95 0.00 0.00 0.00 175.76 179.14 3a4i s THR 304 N -1.62 3.11 -0.05 0.00 -4.23 -1.26 -3.98 115.64 107.61 3a4i s THR 304 Ca 0.33 0.36 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 3a4i s THR 304 Cb -0.12 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.82 3a4i s THR 304 CO 0.27 -0.47 0.56 0.40 -0.54 0.00 0.00 174.62 174.83 3a4i h ILE 305 N -1.27 0.09 -4.26 2.99 2.04 -1.95 -3.44 117.51 111.70 3a4i h ILE 305 Ca -0.45 -0.72 -0.52 0.00 1.00 0.00 0.00 64.86 64.17 3a4i h ILE 305 Cb 1.25 0.16 0.15 0.00 -0.74 0.00 0.00 36.82 37.63 3a4i h ILE 305 CO 0.52 0.02 0.31 -1.61 0.00 0.00 0.00 178.15 177.39 3a4i s GLU 306 N -3.06 1.97 0.13 2.37 0.41 -1.26 -4.96 118.70 114.31 3a4i s GLU 306 Ca -0.07 1.40 0.18 0.00 -0.41 0.00 0.00 54.97 56.07 3a4i s GLU 306 Cb 0.01 -1.85 -0.07 0.00 -1.78 0.00 0.00 34.13 30.44 3a4i s GLU 306 CO 0.23 -1.89 0.97 0.74 -0.49 0.00 0.00 175.26 174.82 3a4i h PHE 307 N -1.03 0.00 0.00 1.61 0.05 -1.86 -3.53 116.94 112.18 3a4i h PHE 307 Ca -0.44 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.35 3a4i h PHE 307 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.20 3a4i h PHE 307 CO 0.54 0.41 0.00 0.39 -0.18 0.00 0.00 178.31 179.47