#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8r s MET 1 N 0.00 4.24 -0.18 -0.78 1.00 -1.26 -4.77 119.30 117.55 3d8r s MET 1 Ca 0.00 1.56 -0.06 0.00 0.00 0.00 0.00 55.69 57.18 3d8r s MET 1 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 34.83 32.15 3d8r s MET 1 CO 0.00 -0.08 0.03 1.03 0.00 0.00 0.00 175.02 175.99 3d8r s ARG 2 N -2.33 3.84 -0.22 2.03 0.52 -1.26 -0.42 118.95 121.11 3d8r s ARG 2 Ca 0.56 -0.42 -0.03 0.00 -0.52 0.00 0.00 55.73 55.32 3d8r s ARG 2 Cb -0.24 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.12 3d8r s ARG 2 CO 0.30 0.22 -0.06 0.42 0.02 0.00 0.00 175.30 176.20 3d8r s ILE 3 N 0.47 3.16 0.19 1.52 1.01 0.07 -0.64 121.20 126.98 3d8r s ILE 3 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.77 3d8r s ILE 3 Cb -0.13 -2.47 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 3d8r s ILE 3 CO 0.01 0.38 0.78 0.00 0.00 0.00 0.00 174.94 176.12 3d8r s ALA 4 N 1.43 3.42 -0.18 9.38 0.00 0.28 -1.22 121.76 134.88 3d8r s ALA 4 Ca 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 3d8r s ALA 4 Cb -0.15 -2.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 3d8r s ALA 4 CO -0.04 0.29 -0.12 -0.47 0.00 0.00 0.00 175.76 175.42 3d8r s TYR 5 N -1.27 2.85 -2.60 0.00 6.14 0.07 -0.17 117.35 122.38 3d8r s TYR 5 Ca 0.39 -1.02 0.27 0.00 0.64 0.00 0.00 57.07 57.34 3d8r s TYR 5 Cb -0.22 -1.96 0.74 0.00 0.42 0.00 0.00 41.96 40.94 3d8r s TYR 5 CO 0.25 -0.50 1.57 0.00 0.64 0.00 0.00 175.55 177.51 3d8r n ALA 6 N 4.31 2.60 -1.72 3.97 0.00 -0.39 -1.22 120.51 128.05 3d8r n ALA 6 Ca -0.19 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.42 3d8r n ALA 6 Cb 0.51 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.95 3d8r n ALA 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d8r s GLY 7 N -2.04 1.68 -0.16 0.00 0.00 -1.26 -3.12 107.32 102.42 3d8r s GLY 7 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.07 3d8r s GLY 7 CO 0.34 0.30 0.21 -0.10 0.00 0.00 0.00 173.10 173.85 3d8r n LEU 8 N -2.89 2.32 -4.84 0.66 7.94 -1.26 -4.43 117.00 114.51 3d8r n LEU 8 Ca 0.07 0.12 -0.22 0.00 -1.11 0.00 0.00 56.01 54.87 3d8r n LEU 8 Cb 0.54 -0.78 -0.04 0.00 0.53 0.00 0.00 43.42 43.67 3d8r n LEU 8 CO 0.56 0.79 -0.05 -0.13 -1.11 0.00 0.00 177.39 177.46 3d8r s ARG 9 N -2.55 2.48 -1.84 1.96 0.52 -1.26 -4.63 118.95 113.63 3d8r s ARG 9 Ca -0.23 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.41 3d8r s ARG 9 Cb 0.07 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.24 3d8r s ARG 9 CO 0.73 -0.14 0.00 0.54 0.02 0.00 0.00 175.30 176.45 3d8r n ARG 10 N -1.46 -1.49 -0.37 3.54 1.74 -1.26 -4.89 116.66 112.47 3d8r n ARG 10 Ca 0.02 1.05 -0.01 0.00 -0.77 0.00 0.00 57.85 58.14 3d8r n ARG 10 Cb 0.62 -5.54 0.13 0.00 -1.02 0.00 0.00 32.46 26.66 3d8r n ARG 10 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3d8r h LYS 11 N 0.00 1.27 0.06 5.56 1.57 -1.90 0.03 116.57 123.17 3d8r h LYS 11 Ca -0.44 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.02 3d8r h LYS 11 Cb 1.32 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3d8r h LYS 11 CO 0.57 0.84 -1.08 0.93 -0.57 0.00 0.00 179.45 180.14 3d8r h GLU 12 N 1.31 0.30 -0.05 3.15 4.39 -1.98 -1.52 114.58 120.18 3d8r h GLU 12 Ca 0.39 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3d8r h GLU 12 Cb -0.06 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3d8r h GLU 12 CO -0.11 1.14 0.02 1.49 -1.16 0.00 0.00 179.01 180.39 3d8r h GLU 13 N 0.13 0.07 -0.41 2.33 4.81 -1.93 -1.71 114.58 117.88 3d8r h GLU 13 Ca -0.10 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3d8r h GLU 13 Cb 1.76 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 31.05 3d8r h GLU 13 CO 0.18 0.21 -0.09 0.35 -0.73 0.00 0.00 179.01 178.93 3d8r h PHE 14 N -0.08 -0.20 -0.39 0.92 3.57 -0.94 -1.26 116.94 118.56 3d8r h PHE 14 Ca 0.02 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3d8r h PHE 14 Cb 0.16 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3d8r h PHE 14 CO -0.02 -0.17 0.11 0.87 -2.23 0.00 0.00 178.31 176.87 3d8r h LYS 15 N 0.01 0.25 -0.53 1.11 1.57 -1.15 -0.60 116.57 117.23 3d8r h LYS 15 Ca 0.20 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 3d8r h LYS 15 Cb 0.30 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3d8r h LYS 15 CO -0.41 0.16 0.23 0.00 -0.57 0.00 0.00 179.45 178.86 3d8r h ALA 16 N 1.27 0.69 -0.49 3.86 0.00 -1.00 -1.39 119.26 122.19 3d8r h ALA 16 Ca 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3d8r h ALA 16 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3d8r h ALA 16 CO -0.21 0.28 0.07 -0.07 0.00 0.00 0.00 179.25 179.31 3d8r h LEU 17 N 0.72 0.80 -0.33 0.00 3.38 -0.95 -2.01 115.31 116.91 3d8r h LEU 17 Ca 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3d8r h LEU 17 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3d8r h LEU 17 CO -0.02 0.87 0.08 0.00 0.09 0.00 0.00 178.44 179.46 3d8r h ALA 18 N 0.96 0.43 -0.79 1.53 0.00 -0.92 -2.11 119.26 118.37 3d8r h ALA 18 Ca 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3d8r h ALA 18 Cb 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3d8r h ALA 18 CO 0.01 0.09 0.31 0.93 0.00 0.00 0.00 179.25 180.59 3d8r h GLU 19 N 0.37 1.18 -0.61 0.00 5.08 -1.23 0.77 114.58 120.15 3d8r h GLU 19 Ca 0.10 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3d8r h GLU 19 Cb 0.29 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3d8r h GLU 19 CO 0.00 0.96 0.27 -0.22 -1.00 0.00 0.00 179.01 179.02 3d8r h LYS 20 N 1.14 0.87 -0.01 2.33 3.64 -1.20 -2.72 116.57 120.62 3d8r h LYS 20 Ca 0.26 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3d8r h LYS 20 Cb 0.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3d8r h LYS 20 CO -0.02 0.69 -0.11 1.28 -2.27 0.00 0.00 179.45 179.02 3d8r n LEU 21 N -4.34 1.45 0.00 5.20 4.77 -0.81 -4.95 117.00 118.32 3d8r n LEU 21 Ca 0.05 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3d8r n LEU 21 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3d8r n LEU 21 CO 0.38 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3d8r n GLY 22 N 1.26 1.10 3.70 -0.72 0.00 -0.60 -5.07 105.19 104.85 3d8r n GLY 22 Ca 0.16 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3d8r n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d8r s PHE 23 N -2.00 2.85 -0.31 1.61 0.40 0.17 -4.65 117.98 116.05 3d8r s PHE 23 Ca 0.00 -0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 3d8r s PHE 23 Cb 0.00 -1.31 -0.01 0.00 0.51 0.00 0.00 43.02 42.22 3d8r s PHE 23 CO 0.00 0.56 0.68 0.99 0.70 0.00 0.00 175.22 178.15 3d8r s THR 24 N -2.08 4.89 -0.07 0.64 2.01 0.44 -3.80 115.64 117.66 3d8r s THR 24 Ca 0.30 0.95 -0.25 0.00 0.31 0.00 0.00 61.69 63.01 3d8r s THR 24 Cb -0.08 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3d8r s THR 24 CO 0.21 -0.18 0.77 -2.16 -0.69 0.00 0.00 174.62 172.57 3d8r s PRO 25 N 2.72 4.43 0.06 4.92 0.04 -1.26 -0.76 135.00 145.16 3d8r s PRO 25 Ca 0.27 1.00 0.09 0.00 0.04 0.00 0.00 61.00 62.40 3d8r s PRO 25 Cb -0.15 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 3d8r s PRO 25 CO 0.12 -0.02 -0.25 -0.51 0.04 0.00 0.00 177.00 176.38 3d8r s LEU 26 N 1.07 2.19 -0.23 -3.56 1.43 -0.36 -4.95 118.68 114.27 3d8r s LEU 26 Ca 0.40 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3d8r s LEU 26 Cb -0.18 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3d8r s LEU 26 CO 0.19 0.22 -0.05 -0.76 0.23 0.00 0.00 176.35 176.19 3d8r s LEU 27 N -1.34 3.02 -0.46 1.79 1.43 -1.26 -0.75 118.68 121.11 3d8r s LEU 27 Ca 0.11 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3d8r s LEU 27 Cb -0.10 -1.72 0.19 0.00 0.03 0.00 0.00 46.19 44.59 3d8r s LEU 27 CO 0.03 -0.07 0.41 0.49 0.23 0.00 0.00 176.35 177.44 3d8r n PHE 28 N 4.76 -0.10 -2.21 0.29 3.01 -0.36 -4.93 117.46 117.93 3d8r n PHE 28 Ca -0.18 -3.52 -0.38 0.00 1.01 0.00 0.00 57.45 54.39 3d8r n PHE 28 Cb 0.49 0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 3d8r n PHE 28 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3d8r s PRO 29 N -0.46 3.84 0.00 -1.08 0.04 -1.25 -4.05 135.00 132.04 3d8r s PRO 29 Ca 0.33 1.88 0.10 0.00 0.04 0.00 0.00 61.00 63.35 3d8r s PRO 29 Cb 0.06 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3d8r s PRO 29 CO -0.17 -0.51 0.61 1.33 0.04 0.00 0.00 177.00 178.30 3d8r n VAL 30 N -0.25 0.00 -4.18 -0.36 0.24 -1.18 -4.45 118.33 108.16 3d8r n VAL 30 Ca 0.06 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.34 61.62 3d8r n VAL 30 Cb 0.47 1.11 -0.08 0.00 -1.47 0.00 0.00 33.84 33.86 3d8r n VAL 30 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3d8r s GLN 31 N -1.44 3.18 0.69 7.34 -0.21 -1.26 -0.73 119.66 127.22 3d8r s GLN 31 Ca 0.08 -0.30 -0.11 0.00 0.02 0.00 0.00 55.36 55.05 3d8r s GLN 31 Cb 0.08 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 31.14 3d8r s GLN 31 CO 0.27 0.72 1.07 0.00 -2.12 0.00 0.00 175.29 175.24 3d8r s ALA 32 N -0.91 2.89 0.31 6.09 0.00 0.45 -4.62 121.76 125.96 3d8r s ALA 32 Ca 0.14 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.95 3d8r s ALA 32 Cb -0.12 -3.06 0.51 0.00 0.00 0.00 0.00 23.12 20.45 3d8r s ALA 32 CO 0.03 -1.05 1.73 1.79 0.00 0.00 0.00 175.76 178.25 3d8r h THR 33 N -0.59 1.30 -3.79 0.00 1.35 -1.96 -3.39 112.91 105.84 3d8r h THR 33 Ca -0.45 -1.46 -0.55 0.00 -0.55 0.00 0.00 66.41 63.40 3d8r h THR 33 Cb 1.23 1.67 0.11 0.00 -1.73 0.00 0.00 68.15 69.44 3d8r h THR 33 CO 0.62 0.43 0.68 1.21 -0.25 0.00 0.00 175.52 178.22 3d8r n GLU 34 N -4.04 2.41 -4.47 4.72 2.13 -1.26 -4.91 120.64 115.22 3d8r n GLU 34 Ca -0.01 0.85 -0.24 0.00 0.66 0.00 0.00 57.16 58.41 3d8r n GLU 34 Cb 0.46 -2.57 -0.10 0.00 0.27 0.00 0.00 31.44 29.50 3d8r n GLU 34 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3d8r s LYS 35 N -2.16 1.67 0.12 5.31 1.02 -1.26 -1.51 119.74 122.93 3d8r s LYS 35 Ca 0.56 -1.77 0.01 0.00 0.02 0.00 0.00 55.97 54.80 3d8r s LYS 35 Cb -0.49 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3d8r s LYS 35 CO 0.62 0.32 -0.04 0.14 -0.92 0.00 0.00 175.35 175.46 3d8r s VAL 36 N -2.54 0.63 0.40 3.17 -7.23 -0.02 -4.87 120.40 109.94 3d8r s VAL 36 Ca 0.30 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.26 3d8r s VAL 36 Cb -0.04 -1.81 -0.10 0.00 0.56 0.00 0.00 36.38 34.99 3d8r s VAL 36 CO 0.15 -0.75 1.43 -2.84 -0.31 0.00 0.00 175.10 172.78 3d8r s PRO 37 N -3.87 3.98 -0.21 4.82 0.02 -1.26 -0.93 135.00 137.55 3d8r s PRO 37 Ca 0.16 2.45 -0.27 0.00 0.02 0.00 0.00 61.00 63.36 3d8r s PRO 37 Cb 0.06 -2.86 -0.00 0.00 0.02 0.00 0.00 34.50 31.72 3d8r s PRO 37 CO -0.02 -0.59 0.93 0.08 -0.33 0.00 0.00 177.00 177.07 3d8r s VAL 38 N -1.16 4.78 0.23 3.83 1.01 -0.10 -4.78 120.40 124.20 3d8r s VAL 38 Ca 0.55 1.81 0.26 0.00 0.00 0.00 0.00 61.98 64.60 3d8r s VAL 38 Cb -0.44 -4.22 0.26 0.00 0.00 0.00 0.00 36.38 31.98 3d8r s VAL 38 CO 0.59 -0.09 1.91 -0.65 0.00 0.00 0.00 175.10 176.86 3d8r h PRO 39 N 7.46 0.00 0.00 2.72 0.11 -1.94 -2.55 132.00 137.80 3d8r h PRO 39 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3d8r h PRO 39 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d8r h PRO 39 CO 0.91 0.19 0.00 0.93 -0.21 0.00 0.00 178.00 179.81 3d8r h GLU 40 N 0.00 0.00 -0.47 1.05 3.07 -1.95 -3.25 114.58 113.03 3d8r h GLU 40 Ca -0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 3d8r h GLU 40 Cb 0.60 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.46 3d8r h GLU 40 CO 0.02 0.00 0.19 -0.92 -1.40 0.00 0.00 179.01 176.90 3d8r h TYR 41 N 0.00 0.34 -0.94 4.33 3.20 -1.73 -1.96 116.97 120.22 3d8r h TYR 41 Ca 0.00 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.06 3d8r h TYR 41 Cb 0.43 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.51 3d8r h TYR 41 CO 0.00 0.14 0.53 0.00 -1.64 0.00 0.00 178.16 177.19 3d8r h ARG 42 N 0.38 0.69 -0.15 1.82 3.08 -1.75 0.26 114.38 118.71 3d8r h ARG 42 Ca 0.22 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 3d8r h ARG 42 Cb 0.19 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3d8r h ARG 42 CO -0.20 0.46 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.30 3d8r h ASP 43 N 0.71 0.35 -0.49 7.04 3.32 -1.59 -1.97 116.42 123.80 3d8r h ASP 43 Ca 0.53 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 3d8r h ASP 43 Cb 0.78 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3d8r h ASP 43 CO -0.37 0.73 -0.18 1.56 -1.72 0.00 0.00 179.24 179.26 3d8r h GLN 44 N 0.28 0.99 -0.42 3.56 4.20 -0.43 -1.42 115.11 121.87 3d8r h GLN 44 Ca 0.02 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 3d8r h GLN 44 Cb 0.85 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3d8r h GLN 44 CO 0.07 1.09 0.00 0.28 -0.67 0.00 0.00 178.83 179.60 3d8r h VAL 45 N 0.85 1.26 -0.82 -0.54 2.07 -0.98 -1.19 116.25 116.91 3d8r h VAL 45 Ca 0.12 -1.02 0.16 0.00 0.82 0.00 0.00 66.70 66.78 3d8r h VAL 45 Cb 0.76 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 3d8r h VAL 45 CO 0.06 0.35 0.36 0.03 0.02 0.00 0.00 177.57 178.39 3d8r h ARG 46 N 0.57 0.47 -0.34 1.57 3.08 -1.22 -0.56 114.38 117.94 3d8r h ARG 46 Ca 0.12 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3d8r h ARG 46 Cb 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3d8r h ARG 46 CO 0.02 0.31 -0.18 0.93 -1.07 0.00 0.00 179.97 179.98 3d8r h GLU 47 N 0.49 0.64 -0.85 0.04 4.39 -0.85 -2.76 114.58 115.68 3d8r h GLU 47 Ca 0.46 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 3d8r h GLU 47 Cb 0.74 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 3d8r h GLU 47 CO -0.42 0.79 0.50 1.25 -1.16 0.00 0.00 179.01 179.97 3d8r h LEU 48 N 0.57 1.03 -1.83 1.33 5.85 0.00 -2.62 115.31 119.64 3d8r h LEU 48 Ca 0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3d8r h LEU 48 Cb 0.64 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3d8r h LEU 48 CO 0.04 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.95 3d8r h ALA 49 N 1.27 1.00 0.00 1.25 0.00 -0.85 -1.96 119.26 119.97 3d8r h ALA 49 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3d8r h ALA 49 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d8r h ALA 49 CO -0.06 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.15 3d8r h GLN 50 N 0.00 0.00 0.00 0.00 1.08 -1.42 -3.45 115.11 111.32 3d8r h GLN 50 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3d8r h GLN 50 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3d8r h GLN 50 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 3d8r n GLY 51 N 0.61 3.27 3.10 3.46 0.00 -0.74 -5.09 105.19 109.80 3d8r n GLY 51 Ca 0.03 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 3d8r n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d8r s VAL 52 N -0.74 0.44 0.01 1.61 -7.23 -1.26 -4.87 120.40 108.35 3d8r s VAL 52 Ca 0.00 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 3d8r s VAL 52 Cb 0.00 -1.21 -0.33 0.00 0.56 0.00 0.00 36.38 35.40 3d8r s VAL 52 CO 0.00 -0.76 0.90 0.44 -0.31 0.00 0.00 175.10 175.37 3d8r h ASP 53 N 3.58 0.70 -3.87 4.85 3.32 -1.48 -3.38 116.42 120.13 3d8r h ASP 53 Ca -0.35 -0.85 -0.43 0.00 0.02 0.00 0.00 57.03 55.43 3d8r h ASP 53 Cb 1.17 -0.23 -0.30 0.00 0.22 0.00 0.00 39.33 40.19 3d8r h ASP 53 CO 0.57 1.68 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.76 3d8r s LEU 54 N -7.41 1.84 -0.06 1.55 2.96 -0.81 -1.01 118.68 115.74 3d8r s LEU 54 Ca -0.11 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3d8r s LEU 54 Cb 0.05 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.18 3d8r s LEU 54 CO 0.90 0.08 -0.15 0.12 -1.32 0.00 0.00 176.35 175.99 3d8r s PHE 55 N 0.09 1.65 -0.18 5.38 5.36 0.74 -0.26 117.98 130.77 3d8r s PHE 55 Ca -0.02 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 3d8r s PHE 55 Cb -0.08 -1.16 0.02 0.00 -0.34 0.00 0.00 43.02 41.46 3d8r s PHE 55 CO 0.00 -0.25 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.80 3d8r s LEU 56 N 0.40 2.13 -0.14 6.12 1.02 0.27 -1.18 118.68 127.30 3d8r s LEU 56 Ca -0.11 -0.65 -0.12 0.00 0.02 0.00 0.00 54.13 53.27 3d8r s LEU 56 Cb -0.14 -1.48 -0.05 0.00 0.02 0.00 0.00 46.19 44.54 3d8r s LEU 56 CO 0.04 0.00 0.26 0.00 0.02 0.00 0.00 176.35 176.67 3d8r s ALA 57 N 1.26 3.67 -0.16 4.21 0.00 -0.14 -0.89 121.76 129.72 3d8r s ALA 57 Ca 0.04 -0.49 0.08 0.00 0.00 0.00 0.00 51.96 51.60 3d8r s ALA 57 Cb -0.13 -2.28 -0.16 0.00 0.00 0.00 0.00 23.12 20.55 3d8r s ALA 57 CO -0.12 0.25 -0.03 0.25 0.00 0.00 0.00 175.76 176.11 3d8r n THR 58 N 3.03 1.02 -4.09 0.00 -2.24 -1.25 -0.46 114.28 110.29 3d8r n THR 58 Ca -0.14 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 3d8r n THR 58 Cb 0.52 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 3d8r n THR 58 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d8r s THR 59 N -2.36 0.41 0.07 4.28 -4.23 -1.26 -4.53 115.64 108.02 3d8r s THR 59 Ca -0.14 -1.57 -0.17 0.00 -1.18 0.00 0.00 61.69 58.63 3d8r s THR 59 Cb 0.05 -1.20 -0.13 0.00 1.34 0.00 0.00 72.50 72.57 3d8r s THR 59 CO 0.53 -0.76 1.35 1.23 -0.54 0.00 0.00 174.62 176.42 3d8r h GLY 60 N 3.58 0.59 0.36 3.99 0.00 -1.85 -1.97 103.07 107.78 3d8r h GLY 60 Ca -0.34 -0.65 0.10 0.00 0.00 0.00 0.00 47.33 46.44 3d8r h GLY 60 CO 0.57 0.59 0.29 -2.08 0.00 0.00 0.00 176.54 175.90 3d8r h VAL 61 N 0.21 0.77 -0.46 4.60 2.07 -1.97 -2.11 116.25 119.35 3d8r h VAL 61 Ca 0.02 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 3d8r h VAL 61 Cb 0.86 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3d8r h VAL 61 CO 0.07 0.09 -0.11 1.23 0.02 0.00 0.00 177.57 178.86 3d8r h GLY 62 N 0.48 0.92 0.91 2.17 0.00 -1.91 -0.46 103.07 105.19 3d8r h GLY 62 Ca 0.35 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3d8r h GLY 62 CO -0.31 0.65 0.01 -2.08 0.00 0.00 0.00 176.54 174.81 3d8r h VAL 63 N 0.76 1.08 -0.70 4.60 2.07 -1.13 -0.73 116.25 122.20 3d8r h VAL 63 Ca 0.12 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3d8r h VAL 63 Cb 0.62 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3d8r h VAL 63 CO 0.04 0.06 0.45 0.03 0.02 0.00 0.00 177.57 178.17 3d8r h ARG 64 N -0.06 0.86 -0.84 1.57 3.08 -1.26 -1.19 114.38 116.54 3d8r h ARG 64 Ca 0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3d8r h ARG 64 Cb 0.09 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3d8r h ARG 64 CO -0.00 0.57 0.45 -0.44 -1.07 0.00 0.00 179.97 179.48 3d8r h ASP 65 N 0.89 1.06 -0.32 7.04 5.19 -0.96 -1.45 116.42 127.86 3d8r h ASP 65 Ca 0.27 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 3d8r h ASP 65 Cb -0.02 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 3d8r h ASP 65 CO -0.09 0.86 0.10 0.25 -3.12 0.00 0.00 179.24 177.24 3d8r h LEU 66 N 1.17 0.47 -0.92 1.55 5.85 -0.68 -0.85 115.31 121.90 3d8r h LEU 66 Ca 0.29 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3d8r h LEU 66 Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3d8r h LEU 66 CO -0.04 0.55 0.40 -0.07 -0.34 0.00 0.00 178.44 178.93 3d8r h LEU 67 N 0.37 1.06 -0.73 2.25 3.38 -1.05 -1.49 115.31 119.09 3d8r h LEU 67 Ca 0.10 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3d8r h LEU 67 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3d8r h LEU 67 CO -0.00 0.89 -0.09 -0.08 0.09 0.00 0.00 178.44 179.25 3d8r h GLU 68 N 1.16 0.88 -0.88 1.13 4.57 -1.04 -2.42 114.58 117.97 3d8r h GLU 68 Ca 0.28 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3d8r h GLU 68 Cb 0.11 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3d8r h GLU 68 CO -0.04 0.93 0.55 0.00 -1.18 0.00 0.00 179.01 179.28 3d8r h ALA 69 N 1.10 1.22 -0.68 2.92 0.00 -0.71 -1.71 119.26 121.41 3d8r h ALA 69 Ca 0.13 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3d8r h ALA 69 Cb 0.60 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 3d8r h ALA 69 CO 0.04 0.31 0.29 0.78 0.00 0.00 0.00 179.25 180.67 3d8r h GLY 70 N 1.01 1.00 0.95 0.00 0.00 -0.80 -1.89 103.07 103.34 3d8r h GLY 70 Ca 0.38 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 3d8r h GLY 70 CO -0.17 -0.02 0.13 0.50 0.00 0.00 0.00 176.54 176.98 3d8r h LYS 71 N 0.48 0.70 0.00 4.80 1.57 -1.12 0.11 116.57 123.12 3d8r h LYS 71 Ca 0.35 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3d8r h LYS 71 Cb 0.44 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3d8r h LYS 71 CO -0.32 0.69 -0.09 0.00 -0.57 0.00 0.00 179.45 179.15 3d8r h ALA 72 N 0.98 1.46 -0.02 3.86 0.00 -1.09 -2.93 119.26 121.52 3d8r h ALA 72 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d8r h ALA 72 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3d8r h ALA 72 CO -0.00 0.12 -0.20 1.28 0.00 0.00 0.00 179.25 180.44 3d8r n LEU 73 N -3.87 2.18 -1.28 0.00 4.77 -0.73 -4.99 117.00 113.08 3d8r n LEU 73 Ca -0.02 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 3d8r n LEU 73 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3d8r n LEU 73 CO 0.31 0.39 -0.10 0.61 -1.33 0.00 0.00 177.39 177.27 3d8r n GLY 74 N 1.18 -0.01 3.37 -0.72 0.00 -0.46 -5.02 105.19 103.53 3d8r n GLY 74 Ca 0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 3d8r n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d8r s LEU 75 N -3.09 2.56 -0.40 0.99 1.43 0.27 -5.03 118.68 115.42 3d8r s LEU 75 Ca 0.04 -0.34 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 3d8r s LEU 75 Cb -0.02 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3d8r s LEU 75 CO 0.05 0.23 0.91 -0.62 0.23 0.00 0.00 176.35 177.15 3d8r s ASP 76 N -0.05 6.61 -0.18 2.29 2.15 -1.26 -4.44 116.67 121.78 3d8r s ASP 76 Ca -0.04 0.41 0.17 0.00 0.43 0.00 0.00 52.55 53.52 3d8r s ASP 76 Cb -0.14 -2.45 -0.24 0.00 -0.30 0.00 0.00 42.92 39.79 3d8r s ASP 76 CO 0.04 -0.91 0.08 0.18 -0.17 0.00 0.00 175.17 174.39 3d8r n LEU 77 N 6.88 0.00 -0.33 -1.34 4.77 -1.26 -4.41 117.00 121.31 3d8r n LEU 77 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3d8r n LEU 77 Cb 0.48 0.45 0.10 0.00 -2.33 0.00 0.00 43.42 42.13 3d8r n LEU 77 CO 0.60 0.45 1.18 -0.33 -1.33 0.00 0.00 177.39 177.96 3d8r h GLU 78 N 0.00 1.24 0.03 3.23 5.08 -1.98 -0.69 114.58 121.49 3d8r h GLU 78 Ca -0.50 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 57.73 3d8r h GLU 78 Cb 2.13 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 31.11 3d8r h GLU 78 CO 0.03 0.90 -0.30 0.78 -1.00 0.00 0.00 179.01 179.41 3d8r h GLY 79 N 1.25 -1.22 1.15 -3.84 0.00 -1.99 0.33 103.07 98.75 3d8r h GLY 79 Ca 0.32 0.62 -0.01 0.00 0.00 0.00 0.00 47.33 48.25 3d8r h GLY 79 CO -0.05 -0.36 0.49 -2.55 0.00 0.00 0.00 176.54 174.07 3d8r h PRO 80 N -0.40 1.13 -0.07 4.80 0.11 -1.75 -2.83 132.00 132.98 3d8r h PRO 80 Ca 0.00 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 3d8r h PRO 80 Cb 0.42 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3d8r h PRO 80 CO -0.18 0.80 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.96 3d8r h LEU 81 N 1.15 0.15 -1.22 2.35 3.38 -1.01 -2.25 115.31 117.85 3d8r h LEU 81 Ca 0.30 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3d8r h LEU 81 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3d8r h LEU 81 CO -0.05 0.52 -0.36 0.00 0.09 0.00 0.00 178.44 178.63 3d8r h ALA 82 N 1.49 1.22 0.00 1.53 0.00 -0.68 -2.75 119.26 120.07 3d8r h ALA 82 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3d8r h ALA 82 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3d8r h ALA 82 CO 0.05 0.45 -0.64 0.87 0.00 0.00 0.00 179.25 179.98 3d8r h LYS 83 N 0.00 0.00 -7.10 0.00 1.57 -1.37 -3.47 116.57 106.20 3d8r h LYS 83 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3d8r h LYS 83 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.05 3d8r h LYS 83 CO 0.05 0.00 0.28 0.00 -0.57 0.00 0.00 179.45 179.21 3d8r s ALA 84 N -3.19 3.19 -0.02 3.86 0.00 -0.88 -4.97 121.76 119.75 3d8r s ALA 84 Ca 0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3d8r s ALA 84 Cb 0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 3d8r s ALA 84 CO 0.72 -0.27 1.16 0.12 0.00 0.00 0.00 175.76 177.49 3d8r s PHE 85 N -2.67 3.34 -0.07 0.00 5.36 -0.18 -4.87 117.98 118.89 3d8r s PHE 85 Ca 0.55 1.33 0.04 0.00 -0.96 0.00 0.00 56.93 57.89 3d8r s PHE 85 Cb -0.10 -3.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.20 3d8r s PHE 85 CO 0.37 -1.04 -0.19 1.03 -1.46 0.00 0.00 175.22 173.93 3d8r s ARG 86 N 1.73 2.73 0.11 10.12 0.52 -1.26 -0.19 118.95 132.72 3d8r s ARG 86 Ca 0.55 -0.79 0.08 0.00 -0.52 0.00 0.00 55.73 55.05 3d8r s ARG 86 Cb -0.25 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3d8r s ARG 86 CO 0.24 0.42 -0.20 -0.51 0.02 0.00 0.00 175.30 175.27 3d8r s LEU 87 N -0.21 2.33 -0.05 2.53 1.43 -0.32 0.37 118.68 124.76 3d8r s LEU 87 Ca -0.01 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.41 3d8r s LEU 87 Cb -0.13 -0.85 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 3d8r s LEU 87 CO 0.03 0.03 -0.18 0.00 0.23 0.00 0.00 176.35 176.46 3d8r s ALA 88 N -1.36 1.58 0.18 4.21 0.00 -0.90 -0.97 121.76 124.50 3d8r s ALA 88 Ca 0.08 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 3d8r s ALA 88 Cb -0.09 -0.53 0.07 0.00 0.00 0.00 0.00 23.12 22.58 3d8r s ALA 88 CO 0.05 0.28 1.82 -0.09 0.00 0.00 0.00 175.76 177.82 3d8r h ARG 89 N 6.26 0.76 0.00 0.00 2.43 -1.01 0.66 114.38 123.48 3d8r h ARG 89 Ca -0.32 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.73 3d8r h ARG 89 Cb 1.18 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3d8r h ARG 89 CO 0.48 0.53 -0.03 0.41 -1.51 0.00 0.00 179.97 179.85 3d8r n GLY 90 N -1.17 2.97 0.33 2.80 0.00 -1.26 -0.62 105.19 108.24 3d8r n GLY 90 Ca 0.03 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 3d8r n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8r h ALA 91 N 1.54 1.19 -0.28 4.61 0.00 -1.91 -1.86 119.26 122.55 3d8r h ALA 91 Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3d8r h ALA 91 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3d8r h ALA 91 CO 0.08 0.59 0.12 0.87 0.00 0.00 0.00 179.25 180.91 3d8r h LYS 92 N 1.01 0.41 -0.26 0.00 1.57 -1.97 -0.22 116.57 117.11 3d8r h LYS 92 Ca 0.24 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3d8r h LYS 92 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3d8r h LYS 92 CO -0.02 0.42 0.16 0.00 -0.57 0.00 0.00 179.45 179.44 3d8r h ALA 93 N 0.97 0.33 -0.69 3.86 0.00 -1.75 -2.17 119.26 119.81 3d8r h ALA 93 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3d8r h ALA 93 Cb 0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3d8r h ALA 93 CO -0.01 -0.21 0.37 0.00 0.00 0.00 0.00 179.25 179.40 3d8r h ALA 94 N 1.10 0.94 -0.49 0.00 0.00 -1.12 -1.77 119.26 117.92 3d8r h ALA 94 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3d8r h ALA 94 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3d8r h ALA 94 CO -0.03 0.02 0.12 -0.09 0.00 0.00 0.00 179.25 179.27 3d8r h ARG 95 N 0.66 0.78 -0.65 0.00 2.43 -0.87 -1.13 114.38 115.60 3d8r h ARG 95 Ca 0.32 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3d8r h ARG 95 Cb 0.26 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3d8r h ARG 95 CO -0.22 0.76 0.28 0.00 -1.51 0.00 0.00 179.97 179.28 3d8r h ALA 96 N 0.99 1.27 -0.38 2.80 0.00 -1.06 -1.16 119.26 121.72 3d8r h ALA 96 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3d8r h ALA 96 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d8r h ALA 96 CO 0.00 0.55 0.05 -0.07 0.00 0.00 0.00 179.25 179.78 3d8r h LEU 97 N 0.93 0.61 -0.87 0.00 3.38 -1.01 -2.95 115.31 115.41 3d8r h LEU 97 Ca 0.22 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3d8r h LEU 97 Cb 0.14 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3d8r h LEU 97 CO -0.02 0.72 0.56 0.11 0.09 0.00 0.00 178.44 179.90 3d8r h LYS 98 N 0.47 1.07 -0.78 1.13 1.57 -0.95 0.41 116.57 119.49 3d8r h LYS 98 Ca 0.11 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 59.00 3d8r h LYS 98 Cb 0.38 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3d8r h LYS 98 CO 0.01 0.71 0.52 0.93 -0.57 0.00 0.00 179.45 181.05 3d8r h GLU 99 N 1.10 0.35 -0.03 3.15 5.08 -1.06 0.91 114.58 124.08 3d8r h GLU 99 Ca 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3d8r h GLU 99 Cb -0.01 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3d8r h GLU 99 CO -0.11 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.13 3d8r n ALA 100 N -2.54 2.56 -1.77 3.43 0.00 -0.84 -4.94 120.51 116.41 3d8r n ALA 100 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 3d8r n ALA 100 Cb 0.60 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 3d8r n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d8r n GLY 101 N 1.20 0.36 2.64 0.00 0.00 0.31 -4.98 105.19 104.71 3d8r n GLY 101 Ca 0.18 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 3d8r n GLY 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d8r n LEU 102 N -0.27 3.76 -4.76 0.99 4.77 0.07 -4.99 117.00 116.58 3d8r n LEU 102 Ca -0.02 -5.18 -0.39 0.00 -0.03 0.00 0.00 56.01 50.39 3d8r n LEU 102 Cb 0.39 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3d8r n LEU 102 CO 0.03 2.20 1.01 -2.16 -1.33 0.00 0.00 177.39 177.14 3d8r s PRO 103 N -3.33 3.41 0.61 3.23 0.04 -1.26 -4.37 135.00 133.33 3d8r s PRO 103 Ca 0.45 2.28 -0.15 0.00 0.04 0.00 0.00 61.00 63.62 3d8r s PRO 103 Cb 0.36 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3d8r s PRO 103 CO -0.13 -0.99 1.05 -1.25 0.04 0.00 0.00 177.00 175.72 3d8r s PRO 104 N -2.69 3.30 0.16 0.56 0.04 -1.26 -4.87 135.00 130.24 3d8r s PRO 104 Ca 0.66 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 3d8r s PRO 104 Cb -0.41 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.12 3d8r s PRO 104 CO 0.50 -0.82 1.49 1.25 0.04 0.00 0.00 177.00 179.46 3d8r h HIS 105 N 0.20 0.97 -3.64 0.56 2.76 -0.44 -3.46 115.15 112.09 3d8r h HIS 105 Ca -0.46 -0.31 -0.10 0.00 -2.20 0.00 0.00 60.37 57.30 3d8r h HIS 105 Cb 1.21 -0.20 -0.16 0.00 1.55 0.00 0.00 27.41 29.82 3d8r h HIS 105 CO 0.60 1.10 -0.37 0.00 -1.30 0.00 0.00 177.93 177.96 3d8r s ALA 106 N -4.25 -0.34 -0.07 5.26 0.00 -1.25 -5.08 121.76 116.04 3d8r s ALA 106 Ca -0.10 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3d8r s ALA 106 Cb 0.11 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.61 3d8r s ALA 106 CO 0.87 -0.43 -0.15 0.08 0.00 0.00 0.00 175.76 176.13 3d8r s VAL 107 N -3.12 1.32 0.00 0.00 1.01 -1.26 -2.12 120.40 116.23 3d8r s VAL 107 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3d8r s VAL 107 Cb 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3d8r s VAL 107 CO -0.07 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3d8r n GLY 108 N 3.69 -1.95 1.16 4.51 0.00 0.22 -4.96 105.19 107.87 3d8r n GLY 108 Ca -0.22 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.45 3d8r n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d8r n ASP 109 N -1.28 3.48 0.00 1.61 5.75 -1.12 -4.53 116.55 120.46 3d8r n ASP 109 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3d8r n ASP 109 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 3d8r n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d8r n GLY 110 N 1.51 0.67 3.44 6.12 0.00 0.20 -4.92 105.19 112.22 3d8r n GLY 110 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3d8r n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d8r s THR 111 N -2.00 2.51 0.20 2.61 -4.23 -1.26 -4.80 115.64 108.67 3d8r s THR 111 Ca 0.00 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 3d8r s THR 111 Cb 0.00 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.81 3d8r s THR 111 CO 0.00 0.03 1.78 0.28 -0.54 0.00 0.00 174.62 176.17 3d8r h SER 112 N 3.62 0.38 0.45 3.99 0.02 -1.98 -2.76 113.55 117.27 3d8r h SER 112 Ca -0.49 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3d8r h SER 112 Cb 1.18 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3d8r h SER 112 CO 0.44 0.25 -0.16 0.07 -1.14 0.00 0.00 176.83 176.28 3d8r h LYS 113 N 0.53 0.00 0.00 3.45 2.10 -1.99 -1.11 116.57 119.55 3d8r h LYS 113 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 3d8r h LYS 113 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3d8r h LYS 113 CO -0.21 0.16 0.00 -1.13 -2.00 0.00 0.00 179.45 176.27 3d8r n SER 114 N -3.66 0.55 0.14 7.07 3.41 -1.04 -1.79 113.62 118.30 3d8r n SER 114 Ca -0.01 0.66 0.03 0.00 -0.26 0.00 0.00 58.87 59.28 3d8r n SER 114 Cb 0.29 -0.77 0.02 0.00 -0.26 0.00 0.00 64.21 63.49 3d8r n SER 114 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3d8r h LEU 115 N 0.00 0.00 -0.48 1.04 3.38 -1.30 -3.37 115.31 114.59 3d8r h LEU 115 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3d8r h LEU 115 Cb 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3d8r h LEU 115 CO 0.00 0.50 0.10 -0.07 0.09 0.00 0.00 178.44 179.06 3d8r h LEU 116 N 0.00 0.02 0.00 1.67 3.38 -1.44 -0.35 115.31 118.59 3d8r h LEU 116 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3d8r h LEU 116 Cb 1.39 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3d8r h LEU 116 CO 0.06 0.04 0.00 -2.65 0.09 0.00 0.00 178.44 175.99 3d8r n PRO 117 N -5.10 0.23 0.00 1.13 -0.02 -1.26 -2.84 135.00 127.15 3d8r n PRO 117 Ca 0.05 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.73 3d8r n PRO 117 Cb 0.22 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.13 3d8r n PRO 117 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d8r n LEU 118 N -1.34 0.70 -4.70 2.45 4.77 -0.20 -4.95 117.00 113.73 3d8r n LEU 118 Ca 0.09 -0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 3d8r n LEU 118 Cb 0.19 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3d8r n LEU 118 CO 0.17 0.15 1.26 -0.76 -1.33 0.00 0.00 177.39 176.89 3d8r s LEU 119 N -3.47 4.36 0.59 2.23 1.43 -0.85 -5.00 118.68 117.97 3d8r s LEU 119 Ca 0.04 2.44 -0.13 0.00 -1.03 0.00 0.00 54.13 55.45 3d8r s LEU 119 Cb 0.15 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 3d8r s LEU 119 CO 0.85 -0.83 1.02 -2.16 0.23 0.00 0.00 176.35 175.46 3d8r s PRO 120 N 2.21 3.61 -0.02 1.29 0.04 -1.26 -5.05 135.00 135.81 3d8r s PRO 120 Ca 0.71 0.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 3d8r s PRO 120 Cb -0.39 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 3d8r s PRO 120 CO 0.31 -0.56 0.66 -1.14 0.04 0.00 0.00 177.00 176.31 3d8r s GLN 121 N -4.69 4.40 0.00 4.56 0.74 -1.26 -4.92 119.66 118.48 3d8r s GLN 121 Ca 0.57 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.82 3d8r s GLN 121 Cb -0.11 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.61 3d8r s GLN 121 CO 0.45 0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 3d8r n GLY 122 N 2.71 2.12 3.43 2.59 0.00 -0.38 -5.06 105.19 110.60 3d8r n GLY 122 Ca -0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3d8r n GLY 122 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d8r s ARG 123 N 1.52 1.61 1.94 1.61 3.52 -1.26 -4.12 118.95 123.76 3d8r s ARG 123 Ca 0.00 -1.59 0.00 0.00 -0.13 0.00 0.00 55.73 54.01 3d8r s ARG 123 Cb 0.00 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 3d8r s ARG 123 CO 0.00 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.27 3d8r n GLY 124 N -0.44 -0.73 3.77 8.12 0.00 -1.26 -4.77 105.19 109.88 3d8r n GLY 124 Ca 0.01 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 3d8r n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d8r s VAL 125 N 0.00 5.15 -0.31 1.61 1.01 -1.26 -0.83 120.40 125.77 3d8r s VAL 125 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3d8r s VAL 125 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3d8r s VAL 125 CO 0.00 0.55 0.07 0.00 0.00 0.00 0.00 175.10 175.72 3d8r s ALA 126 N -0.43 3.01 -0.11 5.51 0.00 -0.44 -1.26 121.76 128.04 3d8r s ALA 126 Ca 0.11 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 3d8r s ALA 126 Cb -0.12 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3d8r s ALA 126 CO 0.02 -1.09 0.70 0.00 0.00 0.00 0.00 175.76 175.39 3d8r s ALA 127 N 1.43 3.40 -0.28 0.00 0.00 0.64 -1.11 121.76 125.85 3d8r s ALA 127 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.01 3d8r s ALA 127 Cb -0.18 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.01 3d8r s ALA 127 CO 0.02 -0.26 -0.06 -1.17 0.00 0.00 0.00 175.76 174.29 3d8r s LEU 128 N 1.18 3.68 -0.14 0.00 2.96 -0.21 -0.56 118.68 125.58 3d8r s LEU 128 Ca 0.36 -1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 52.59 3d8r s LEU 128 Cb -0.17 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3d8r s LEU 128 CO 0.16 -0.23 1.21 -1.58 -1.32 0.00 0.00 176.35 174.58 3d8r s GLN 129 N 1.15 4.28 0.35 1.98 -0.44 -0.06 -0.99 119.66 125.93 3d8r s GLN 129 Ca -0.07 1.61 0.08 0.00 -2.50 0.00 0.00 55.36 54.49 3d8r s GLN 129 Cb -0.20 -3.68 -0.07 0.00 -1.64 0.00 0.00 33.01 27.42 3d8r s GLN 129 CO -0.04 -0.61 -0.06 -0.51 0.50 0.00 0.00 175.29 174.58 3d8r s LEU 130 N 3.05 2.72 -0.30 3.68 1.43 -0.43 -3.77 118.68 125.06 3d8r s LEU 130 Ca 0.53 -1.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3d8r s LEU 130 Cb -0.21 -0.91 0.18 0.00 0.03 0.00 0.00 46.19 45.28 3d8r s LEU 130 CO 0.16 -0.30 0.52 -0.47 0.23 0.00 0.00 176.35 176.49 3d8r s TYR 131 N -2.71 -1.51 0.00 0.29 5.04 -1.26 -4.37 117.35 112.83 3d8r s TYR 131 Ca 0.33 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 3d8r s TYR 131 Cb 0.05 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.49 3d8r s TYR 131 CO 0.16 -1.06 0.00 0.41 -1.34 0.00 0.00 175.55 173.72 3d8r n GLY 132 N 5.26 2.12 3.71 8.97 0.00 -1.26 -4.96 105.19 119.02 3d8r n GLY 132 Ca 0.04 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3d8r n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d8r s LYS 133 N 0.00 4.21 0.54 1.61 2.20 -1.26 -4.78 119.74 122.25 3d8r s LYS 133 Ca 0.00 0.01 -0.20 0.00 -0.36 0.00 0.00 55.97 55.42 3d8r s LYS 133 Cb 0.00 -3.46 -0.06 0.00 -1.51 0.00 0.00 37.83 32.80 3d8r s LYS 133 CO 0.00 0.17 1.15 -1.25 -0.36 0.00 0.00 175.35 175.06 3d8r s PRO 134 N 0.68 3.34 -0.59 4.03 0.04 -1.26 -4.98 135.00 136.27 3d8r s PRO 134 Ca 0.14 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.90 3d8r s PRO 134 Cb -0.13 -2.03 0.23 0.00 0.04 0.00 0.00 34.50 32.61 3d8r s PRO 134 CO 0.04 -0.87 0.63 1.28 0.04 0.00 0.00 177.00 178.11 3d8r n LEU 135 N -1.26 2.64 0.01 -3.56 4.77 -1.26 -4.98 117.00 113.36 3d8r n LEU 135 Ca 0.11 -5.18 0.00 0.00 -0.03 0.00 0.00 56.01 50.92 3d8r n LEU 135 Cb 0.50 -0.35 0.32 0.00 -2.33 0.00 0.00 43.42 41.56 3d8r n LEU 135 CO 0.43 1.99 0.95 1.55 -1.33 0.00 0.00 177.39 180.98 3d8r h PRO 136 N 4.46 0.49 -0.68 3.23 0.13 -1.99 -1.29 132.00 136.36 3d8r h PRO 136 Ca 0.17 -0.10 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 3d8r h PRO 136 Cb 0.74 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 3d8r h PRO 136 CO 0.71 0.52 0.12 1.25 -0.23 0.00 0.00 178.00 180.37 3d8r h LEU 137 N 0.48 1.07 -0.23 1.56 5.85 -1.97 -0.78 115.31 121.29 3d8r h LEU 137 Ca 0.10 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 3d8r h LEU 137 Cb 0.31 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3d8r h LEU 137 CO 0.01 1.05 -0.26 0.25 -0.34 0.00 0.00 178.44 179.15 3d8r h LEU 138 N 1.05 0.62 -1.00 2.25 5.85 -1.84 -1.78 115.31 120.46 3d8r h LEU 138 Ca 0.21 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3d8r h LEU 138 Cb 0.43 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3d8r h LEU 138 CO 0.01 0.98 0.48 -0.33 -0.34 0.00 0.00 178.44 179.25 3d8r h GLU 139 N 0.27 1.18 -0.13 1.25 5.08 -1.15 -0.57 114.58 120.51 3d8r h GLU 139 Ca 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3d8r h GLU 139 Cb 0.82 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3d8r h GLU 139 CO 0.06 0.85 0.03 -0.97 -1.00 0.00 0.00 179.01 177.99 3d8r h ASN 140 N 1.19 0.19 -0.86 1.42 -0.73 -1.12 -2.16 115.58 113.52 3d8r h ASN 140 Ca 0.30 -0.22 0.13 0.00 1.87 0.00 0.00 56.30 58.38 3d8r h ASN 140 Cb 0.00 -0.05 -0.09 0.00 0.27 0.00 0.00 38.32 38.46 3d8r h ASN 140 CO -0.05 0.36 0.47 0.00 -0.37 0.00 0.00 177.43 177.84 3d8r h ALA 141 N 0.84 1.27 -0.42 1.57 0.00 -0.97 -0.36 119.26 121.19 3d8r h ALA 141 Ca 0.04 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3d8r h ALA 141 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3d8r h ALA 141 CO -0.00 -0.00 0.12 -0.07 0.00 0.00 0.00 179.25 179.29 3d8r h LEU 142 N 0.71 0.63 -0.67 0.00 3.38 -1.03 -2.03 115.31 116.30 3d8r h LEU 142 Ca 0.45 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.22 3d8r h LEU 142 Cb 0.55 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3d8r h LEU 142 CO -0.32 0.68 0.43 0.00 0.09 0.00 0.00 178.44 179.32 3d8r h ALA 143 N 0.97 0.87 0.00 1.53 0.00 -0.83 -2.05 119.26 119.75 3d8r h ALA 143 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3d8r h ALA 143 Cb 0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3d8r h ALA 143 CO -0.00 0.21 -0.08 0.93 0.00 0.00 0.00 179.25 180.31 3d8r h GLU 144 N 0.85 0.00 -0.10 0.00 5.08 -0.93 -1.80 114.58 117.67 3d8r h GLU 144 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3d8r h GLU 144 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3d8r h GLU 144 CO -0.09 0.08 0.00 0.54 -1.00 0.00 0.00 179.01 178.54 3d8r n ARG 145 N -4.25 1.48 0.00 2.33 5.12 -0.78 -4.92 116.66 115.65 3d8r n ARG 145 Ca -0.03 -0.72 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 3d8r n ARG 145 Cb 0.16 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 3d8r n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3d8r n GLY 146 N 1.02 0.55 3.87 -0.13 0.00 -0.68 -1.25 105.19 108.58 3d8r n GLY 146 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3d8r n GLY 146 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d8r s TYR 147 N -2.00 3.51 -0.19 1.61 1.51 -0.95 -4.36 117.35 116.48 3d8r s TYR 147 Ca 0.00 0.82 -0.23 0.00 -1.01 0.00 0.00 57.07 56.65 3d8r s TYR 147 Cb 0.00 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 3d8r s TYR 147 CO 0.00 0.40 0.72 0.50 -1.11 0.00 0.00 175.55 176.06 3d8r s ARG 148 N -2.38 4.24 -0.23 -0.62 3.52 -0.01 -4.01 118.95 119.46 3d8r s ARG 148 Ca 0.40 0.78 -0.21 0.00 -0.13 0.00 0.00 55.73 56.57 3d8r s ARG 148 Cb -0.13 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 3d8r s ARG 148 CO 0.21 -0.29 0.67 0.08 -0.81 0.00 0.00 175.30 175.16 3d8r s VAL 149 N 2.05 4.97 -0.60 7.11 1.01 -1.26 -1.32 120.40 132.36 3d8r s VAL 149 Ca 0.33 1.25 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 3d8r s VAL 149 Cb -0.16 -3.98 0.15 0.00 0.00 0.00 0.00 36.38 32.39 3d8r s VAL 149 CO 0.11 0.04 0.52 -0.22 0.00 0.00 0.00 175.10 175.55 3d8r s LEU 150 N 2.31 6.13 0.50 3.92 2.96 -0.26 -4.96 118.68 129.28 3d8r s LEU 150 Ca 0.29 -2.11 -0.21 0.00 -0.22 0.00 0.00 54.13 51.88 3d8r s LEU 150 Cb -0.16 -2.13 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 3d8r s LEU 150 CO 0.09 -0.71 1.14 -2.16 -1.32 0.00 0.00 176.35 173.39 3d8r s PRO 151 N 1.08 3.57 -0.52 0.98 0.04 -1.26 -1.05 135.00 137.83 3d8r s PRO 151 Ca 0.08 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3d8r s PRO 151 Cb -0.24 -2.20 0.16 0.00 0.04 0.00 0.00 34.50 32.27 3d8r s PRO 151 CO -0.01 -0.68 0.36 -0.51 0.04 0.00 0.00 177.00 176.20 3d8r s LEU 152 N -3.42 3.02 -0.33 -3.56 1.43 -0.16 -4.85 118.68 110.81 3d8r s LEU 152 Ca 0.68 -3.21 -0.05 0.00 -1.03 0.00 0.00 54.13 50.51 3d8r s LEU 152 Cb -0.25 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 44.96 3d8r s LEU 152 CO 0.30 -0.17 0.09 -0.32 0.23 0.00 0.00 176.35 176.48 3d8r s MET 153 N -0.39 2.57 0.32 1.70 1.75 -1.26 -1.31 119.30 122.67 3d8r s MET 153 Ca 0.25 -1.21 0.15 0.00 -1.25 0.00 0.00 55.69 53.63 3d8r s MET 153 Cb -0.08 -3.41 0.47 0.00 2.84 0.00 0.00 34.83 34.66 3d8r s MET 153 CO -0.13 -0.67 1.64 -1.00 -0.65 0.00 0.00 175.02 174.22 3d8r h PRO 154 N 8.17 0.00 -4.77 4.11 0.13 -1.94 -3.42 132.00 134.28 3d8r h PRO 154 Ca -0.23 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.61 3d8r h PRO 154 Cb 1.08 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.01 3d8r h PRO 154 CO 0.59 0.50 -0.74 0.71 -0.23 0.00 0.00 178.00 178.83 3d8r s TYR 155 N -3.50 0.85 0.06 1.56 2.02 -1.26 -0.93 117.35 116.15 3d8r s TYR 155 Ca 0.00 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3d8r s TYR 155 Cb 0.11 -0.49 -0.03 0.00 -0.40 0.00 0.00 41.96 41.15 3d8r s TYR 155 CO 0.72 -0.05 -0.07 -0.98 -1.57 0.00 0.00 175.55 173.59 3d8r s ARG 156 N -2.05 0.62 0.26 -0.62 1.70 -0.10 -4.20 118.95 114.56 3d8r s ARG 156 Ca -0.04 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 53.98 3d8r s ARG 156 Cb -0.07 -0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 33.95 3d8r s ARG 156 CO 0.00 0.03 1.40 -1.01 -1.08 0.00 0.00 175.30 174.63 3d8r s HIS 157 N -2.09 3.06 0.80 5.89 3.76 -1.26 -0.84 115.29 124.60 3d8r s HIS 157 Ca -0.03 1.13 -0.11 0.00 -0.15 0.00 0.00 55.06 55.90 3d8r s HIS 157 Cb -0.05 -3.76 0.07 0.00 1.11 0.00 0.00 32.58 29.95 3d8r s HIS 157 CO -0.01 -2.40 1.09 -0.51 -0.85 0.00 0.00 174.74 172.06 3d8r s LEU 158 N -0.59 2.81 0.59 0.89 1.43 -0.57 -4.85 118.68 118.39 3d8r s LEU 158 Ca 0.57 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 55.19 3d8r s LEU 158 Cb -0.41 -4.33 -0.03 0.00 0.03 0.00 0.00 46.19 41.45 3d8r s LEU 158 CO 0.44 -2.15 1.11 -2.16 0.23 0.00 0.00 176.35 173.83 3d8r s PRO 159 N -4.94 3.13 -0.59 1.29 0.04 -1.26 -0.42 135.00 132.26 3d8r s PRO 159 Ca 0.61 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 3d8r s PRO 159 Cb -0.17 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.54 3d8r s PRO 159 CO 0.56 -1.00 0.46 0.34 0.04 0.00 0.00 177.00 177.40 3d8r s ASP 160 N -2.21 5.77 0.24 6.66 -1.08 0.09 -4.22 116.67 121.93 3d8r s ASP 160 Ca 0.69 -2.38 -0.06 0.00 -0.52 0.00 0.00 52.55 50.28 3d8r s ASP 160 Cb -0.21 -2.00 0.31 0.00 -1.46 0.00 0.00 42.92 39.55 3d8r s ASP 160 CO 0.34 -0.56 1.87 -0.65 0.52 0.00 0.00 175.17 176.68 3d8r h PRO 161 N 7.85 1.03 -0.26 4.34 0.11 -1.95 0.17 132.00 143.29 3d8r h PRO 161 Ca -0.08 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.81 3d8r h PRO 161 Cb 1.03 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3d8r h PRO 161 CO 0.79 0.68 -0.45 0.93 -0.21 0.00 0.00 178.00 179.74 3d8r h GLU 162 N 1.06 0.75 -0.96 1.05 4.39 -1.97 -1.77 114.58 117.13 3d8r h GLU 162 Ca 0.37 -0.47 0.11 0.00 0.34 0.00 0.00 59.36 59.71 3d8r h GLU 162 Cb 0.08 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 3d8r h GLU 162 CO -0.14 1.10 0.60 0.78 -1.16 0.00 0.00 179.01 180.18 3d8r h GLY 163 N 0.49 1.56 0.83 -3.84 0.00 -1.68 -0.79 103.07 99.65 3d8r h GLY 163 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3d8r h GLY 163 CO 0.10 0.16 0.02 -2.22 0.00 0.00 0.00 176.54 174.60 3d8r h ILE 164 N 0.96 1.24 -0.53 2.60 2.04 -0.51 -2.01 117.51 121.29 3d8r h ILE 164 Ca 0.47 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3d8r h ILE 164 Cb 0.45 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3d8r h ILE 164 CO -0.26 0.24 0.23 -0.07 0.00 0.00 0.00 178.15 178.30 3d8r h LEU 165 N 0.13 0.68 -0.70 1.44 3.38 -1.04 -0.37 115.31 118.84 3d8r h LEU 165 Ca 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3d8r h LEU 165 Cb 0.34 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3d8r h LEU 165 CO 0.01 0.60 0.27 0.03 0.09 0.00 0.00 178.44 179.44 3d8r h ARG 166 N 0.75 1.05 -0.13 1.13 3.08 -0.96 -1.64 114.38 117.67 3d8r h ARG 166 Ca 0.18 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3d8r h ARG 166 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3d8r h ARG 166 CO -0.02 0.87 -0.29 1.25 -1.07 0.00 0.00 179.97 180.70 3d8r h LEU 167 N 1.00 0.48 -0.81 3.04 5.85 -0.99 -1.59 115.31 122.28 3d8r h LEU 167 Ca 0.23 -0.57 0.11 0.00 0.84 0.00 0.00 57.88 58.49 3d8r h LEU 167 Cb 0.22 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3d8r h LEU 167 CO -0.02 0.96 0.45 -0.08 -0.34 0.00 0.00 178.44 179.41 3d8r h GLU 168 N 0.01 0.70 -0.39 1.25 4.81 -1.03 -0.87 114.58 119.06 3d8r h GLU 168 Ca -0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3d8r h GLU 168 Cb 0.90 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3d8r h GLU 168 CO 0.06 0.46 -0.25 0.93 -0.73 0.00 0.00 179.01 179.49 3d8r h GLU 169 N 0.72 0.85 -0.78 1.92 4.39 -1.15 -0.34 114.58 120.19 3d8r h GLU 169 Ca 0.41 -0.40 0.06 0.00 0.34 0.00 0.00 59.36 59.77 3d8r h GLU 169 Cb 0.44 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 3d8r h GLU 169 CO -0.28 1.04 0.47 0.00 -1.16 0.00 0.00 179.01 179.08 3d8r h ALA 170 N 0.79 1.05 0.11 3.43 0.00 -0.79 -0.80 119.26 123.06 3d8r h ALA 170 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d8r h ALA 170 Cb 0.82 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3d8r h ALA 170 CO 0.07 0.20 -0.05 0.28 0.00 0.00 0.00 179.25 179.74 3d8r h VAL 171 N 0.87 1.03 -0.09 0.00 2.07 -0.98 0.52 116.25 119.67 3d8r h VAL 171 Ca 0.34 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3d8r h VAL 171 Cb 0.15 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3d8r h VAL 171 CO -0.17 0.13 -0.26 -0.07 0.02 0.00 0.00 177.57 177.23 3d8r h LEU 172 N -0.40 0.15 -0.19 2.57 3.38 -0.93 -2.04 115.31 117.85 3d8r h LEU 172 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3d8r h LEU 172 Cb 0.33 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3d8r h LEU 172 CO 0.03 0.41 -0.06 0.54 0.09 0.00 0.00 178.44 179.44 3d8r n ARG 173 N -4.18 0.73 -1.32 1.13 1.74 -0.32 -4.92 116.66 109.52 3d8r n ARG 173 Ca -0.01 -0.19 -0.04 0.00 -0.77 0.00 0.00 57.85 56.84 3d8r n ARG 173 Cb 0.35 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 3d8r n ARG 173 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d8r n GLY 174 N 1.23 0.59 0.10 -0.13 0.00 -0.77 -4.95 105.19 101.27 3d8r n GLY 174 Ca 0.16 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3d8r n GLY 174 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d8r n GLU 175 N -2.56 0.25 -4.34 1.61 1.02 0.15 -4.77 120.64 112.00 3d8r n GLU 175 Ca -0.04 0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 3d8r n GLU 175 Cb 0.22 -1.79 -0.13 0.00 -0.02 0.00 0.00 31.44 29.72 3d8r n GLU 175 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3d8r s VAL 176 N -3.10 1.98 -0.13 2.62 -7.23 -1.22 -4.86 120.40 108.45 3d8r s VAL 176 Ca 0.11 -1.67 0.19 0.00 -1.81 0.00 0.00 61.98 58.79 3d8r s VAL 176 Cb 0.13 -1.78 -0.25 0.00 0.56 0.00 0.00 36.38 35.03 3d8r s VAL 176 CO 0.59 -0.01 0.35 0.47 -0.31 0.00 0.00 175.10 176.19 3d8r n ASP 177 N 0.94 0.20 -3.77 4.85 8.00 0.18 -4.81 116.55 122.15 3d8r n ASP 177 Ca -0.18 0.09 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 3d8r n ASP 177 Cb 0.54 1.07 -0.07 0.00 -0.02 0.00 0.00 41.12 42.63 3d8r n ASP 177 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d8r s ALA 178 N -2.86 -0.62 -0.08 2.24 0.00 -0.82 -1.94 121.76 117.69 3d8r s ALA 178 Ca -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3d8r s ALA 178 Cb 0.09 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3d8r s ALA 178 CO 0.85 -0.44 0.00 -1.17 0.00 0.00 0.00 175.76 175.00 3d8r s LEU 179 N -2.21 0.63 -0.22 0.00 2.96 0.46 -0.55 118.68 119.74 3d8r s LEU 179 Ca -0.03 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 53.64 3d8r s LEU 179 Cb 0.00 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 3d8r s LEU 179 CO -0.05 -0.20 0.17 0.00 -1.32 0.00 0.00 176.35 174.95 3d8r s ALA 180 N 1.96 3.63 -0.07 5.97 0.00 0.76 -0.78 121.76 133.24 3d8r s ALA 180 Ca 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3d8r s ALA 180 Cb -0.13 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 3d8r s ALA 180 CO -0.05 -0.06 -0.13 -0.06 0.00 0.00 0.00 175.76 175.45 3d8r s PHE 181 N 0.79 2.74 -0.34 0.00 0.40 -0.25 -1.26 117.98 120.07 3d8r s PHE 181 Ca 0.09 -0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 3d8r s PHE 181 Cb -0.13 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.72 3d8r s PHE 181 CO 0.02 0.12 0.41 1.33 0.70 0.00 0.00 175.22 177.80 3d8r n VAL 182 N 2.56 0.00 -3.82 -0.44 0.24 -1.26 -1.12 118.33 114.48 3d8r n VAL 182 Ca -0.17 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.54 3d8r n VAL 182 Cb 0.52 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 3d8r n VAL 182 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d8r s ALA 183 N -0.77 -0.51 0.31 2.33 0.00 -1.26 -4.77 121.76 117.09 3d8r s ALA 183 Ca 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 3d8r s ALA 183 Cb 0.03 0.02 0.51 0.00 0.00 0.00 0.00 23.12 23.68 3d8r s ALA 183 CO 0.09 -0.21 1.95 0.00 0.00 0.00 0.00 175.76 177.59 3d8r h ALA 184 N 4.37 1.48 0.00 0.00 0.00 -1.88 -2.45 119.26 120.78 3d8r h ALA 184 Ca -0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3d8r h ALA 184 Cb 1.19 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3d8r h ALA 184 CO 0.40 0.44 -0.10 0.97 0.00 0.00 0.00 179.25 180.95 3d8r h ILE 185 N 1.05 0.97 -0.56 0.00 6.09 -1.96 -1.47 117.51 121.61 3d8r h ILE 185 Ca 0.33 -0.37 -0.05 0.00 -1.37 0.00 0.00 64.86 63.41 3d8r h ILE 185 Cb 0.02 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 3d8r h ILE 185 CO -0.10 0.10 0.15 1.56 -3.07 0.00 0.00 178.15 176.79 3d8r h GLN 186 N 0.00 0.89 -0.05 2.19 4.20 -1.83 0.19 115.11 120.70 3d8r h GLN 186 Ca -0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 3d8r h GLN 186 Cb 0.20 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 3d8r h GLN 186 CO 0.01 0.83 0.03 0.28 -0.67 0.00 0.00 178.83 179.31 3d8r h VAL 187 N 0.80 1.08 -0.25 -0.54 2.07 -1.41 -1.79 116.25 116.20 3d8r h VAL 187 Ca 0.18 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3d8r h VAL 187 Cb 0.33 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3d8r h VAL 187 CO -0.00 0.07 -0.10 -0.33 0.02 0.00 0.00 177.57 177.23 3d8r h GLU 188 N -0.00 -0.05 -0.28 1.57 5.08 -1.13 -2.01 114.58 117.74 3d8r h GLU 188 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3d8r h GLU 188 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3d8r h GLU 188 CO -0.00 -0.03 0.12 0.74 -1.00 0.00 0.00 179.01 178.84 3d8r h PHE 189 N -0.05 0.42 -0.06 4.33 0.04 -0.56 -0.94 116.94 120.12 3d8r h PHE 189 Ca 0.13 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3d8r h PHE 189 Cb 0.25 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3d8r h PHE 189 CO -0.28 0.40 -0.07 1.25 -0.60 0.00 0.00 178.31 179.01 3d8r h LEU 190 N 0.32 -0.22 -0.46 1.54 5.85 -1.13 -1.14 115.31 120.05 3d8r h LEU 190 Ca 0.10 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3d8r h LEU 190 Cb 0.15 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3d8r h LEU 190 CO -0.01 -0.10 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.34 3d8r h PHE 191 N -0.10 1.01 0.00 1.25 -1.00 -1.31 -1.92 116.94 114.88 3d8r h PHE 191 Ca 0.05 -0.30 -0.06 0.00 2.81 0.00 0.00 57.97 60.47 3d8r h PHE 191 Cb 0.17 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 3d8r h PHE 191 CO -0.17 1.10 -0.27 0.93 -1.61 0.00 0.00 178.31 178.29 3d8r h GLU 192 N 0.69 0.00 -0.02 1.51 5.08 -1.08 -3.19 114.58 117.57 3d8r h GLU 192 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3d8r h GLU 192 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3d8r h GLU 192 CO 0.09 0.27 -0.12 0.41 -1.00 0.00 0.00 179.01 178.66 3d8r n GLY 193 N -0.66 0.38 3.77 -3.84 0.00 -0.44 -4.98 105.19 99.41 3d8r n GLY 193 Ca -0.02 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 3d8r n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d8r s ALA 194 N -1.79 3.16 0.16 4.61 0.00 -0.73 -4.62 121.76 122.55 3d8r s ALA 194 Ca 0.21 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 3d8r s ALA 194 Cb 0.16 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3d8r s ALA 194 CO 0.32 -0.60 1.39 0.87 0.00 0.00 0.00 175.76 177.73 3d8r h LYS 195 N 2.59 0.38 -2.23 0.00 1.57 -1.91 -3.38 116.57 113.59 3d8r h LYS 195 Ca -0.49 -0.35 -0.59 0.00 -1.87 0.00 0.00 60.65 57.35 3d8r h LYS 195 Cb 1.24 0.09 -0.41 0.00 0.08 0.00 0.00 32.23 33.23 3d8r h LYS 195 CO 0.62 1.01 -0.81 -3.47 -0.57 0.00 0.00 179.45 176.23 3d8r n ASP 196 N -3.79 2.04 0.11 0.86 -0.08 -1.26 -4.97 116.55 109.47 3d8r n ASP 196 Ca -0.05 -3.06 0.13 0.00 -1.51 0.00 0.00 54.79 50.30 3d8r n ASP 196 Cb 0.76 -0.66 0.64 0.00 2.34 0.00 0.00 41.12 44.20 3d8r n ASP 196 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3d8r h PRO 197 N 4.36 0.06 -0.38 -0.67 0.13 -1.86 -1.26 132.00 132.37 3d8r h PRO 197 Ca 0.15 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 3d8r h PRO 197 Cb 0.77 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 3d8r h PRO 197 CO 0.65 0.04 0.07 -0.22 -0.23 0.00 0.00 178.00 178.30 3d8r h LYS 198 N 0.06 0.63 -0.23 0.86 3.64 -1.97 -0.58 116.57 118.99 3d8r h LYS 198 Ca 0.13 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 3d8r h LYS 198 Cb 0.46 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3d8r h LYS 198 CO -0.01 0.68 -0.43 0.00 -2.27 0.00 0.00 179.45 177.43 3d8r h ALA 199 N 0.92 0.83 -0.03 5.00 0.00 -1.79 -2.46 119.26 121.73 3d8r h ALA 199 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3d8r h ALA 199 Cb 0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3d8r h ALA 199 CO 0.01 0.65 0.02 1.25 0.00 0.00 0.00 179.25 181.18 3d8r h LEU 200 N 0.45 0.04 -0.26 0.00 5.85 -1.11 -0.87 115.31 119.40 3d8r h LEU 200 Ca 0.03 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3d8r h LEU 200 Cb 0.93 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3d8r h LEU 200 CO 0.08 0.04 0.01 -0.09 -0.34 0.00 0.00 178.44 178.14 3d8r h ARG 201 N 0.03 0.09 -0.83 1.25 2.43 -1.07 -1.55 114.38 114.72 3d8r h ARG 201 Ca 0.01 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3d8r h ARG 201 Cb 0.01 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3d8r h ARG 201 CO -0.00 0.06 0.55 1.49 -1.51 0.00 0.00 179.97 180.55 3d8r h GLU 202 N 0.09 1.07 -0.40 0.20 4.57 -1.22 -1.72 114.58 117.17 3d8r h GLU 202 Ca 0.12 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 3d8r h GLU 202 Cb 0.16 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 3d8r h GLU 202 CO -0.21 0.71 0.17 0.00 -1.18 0.00 0.00 179.01 178.51 3d8r h ALA 203 N 1.31 0.52 0.00 2.92 0.00 -0.94 -1.88 119.26 121.20 3d8r h ALA 203 Ca 0.31 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3d8r h ALA 203 Cb -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3d8r h ALA 203 CO -0.07 0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 3d8r h LEU 204 N 0.51 0.00 0.00 0.00 3.38 -1.04 0.52 115.31 118.67 3d8r h LEU 204 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3d8r h LEU 204 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3d8r h LEU 204 CO -0.01 0.00 -0.92 0.59 0.09 0.00 0.00 178.44 178.19 3d8r n ASN 205 N -2.67 0.68 0.00 -0.43 3.02 -0.67 -4.29 115.26 110.89 3d8r n ASN 205 Ca 0.01 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3d8r n ASN 205 Cb 0.23 0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 3d8r n ASN 205 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3d8r n THR 206 N -2.20 0.00 0.00 3.41 -2.24 -0.75 -4.96 114.28 107.54 3d8r n THR 206 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3d8r n THR 206 Cb 0.47 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3d8r n THR 206 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3d8r n ARG 207 N -1.78 3.71 -4.05 -0.78 5.12 0.16 -4.99 116.66 114.03 3d8r n ARG 207 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 3d8r n ARG 207 Cb 0.28 -0.98 -0.17 0.00 -1.16 0.00 0.00 32.46 30.44 3d8r n ARG 207 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3d8r s VAL 208 N -1.95 1.50 -0.23 1.55 1.01 0.38 -4.88 120.40 117.78 3d8r s VAL 208 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3d8r s VAL 208 Cb 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 3d8r s VAL 208 CO 0.00 0.45 1.21 -0.54 0.00 0.00 0.00 175.10 176.22 3d8r s LYS 209 N 1.46 4.14 -0.20 2.72 1.02 -0.82 -4.15 119.74 123.92 3d8r s LYS 209 Ca 0.04 1.44 -0.23 0.00 0.02 0.00 0.00 55.97 57.24 3d8r s LYS 209 Cb -0.13 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 3d8r s LYS 209 CO -0.09 -0.82 0.74 0.00 -0.92 0.00 0.00 175.35 174.26 3d8r s ALA 210 N 3.69 3.55 -0.09 5.17 0.00 -1.26 -0.40 121.76 132.43 3d8r s ALA 210 Ca 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3d8r s ALA 210 Cb -0.18 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3d8r s ALA 210 CO 0.15 -0.67 -0.08 -0.51 0.00 0.00 0.00 175.76 174.65 3d8r s LEU 211 N 2.20 3.09 -0.07 0.00 1.43 0.04 0.31 118.68 125.69 3d8r s LEU 211 Ca 0.33 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3d8r s LEU 211 Cb -0.16 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3d8r s LEU 211 CO 0.11 0.31 -0.16 0.00 0.23 0.00 0.00 176.35 176.83 3d8r s ALA 212 N -0.51 1.55 -0.52 4.21 0.00 -0.51 -1.09 121.76 124.89 3d8r s ALA 212 Ca 0.08 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 3d8r s ALA 212 Cb -0.12 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.45 3d8r s ALA 212 CO 0.02 0.20 0.70 0.08 0.00 0.00 0.00 175.76 176.76 3d8r s VAL 213 N 0.42 4.76 0.00 0.00 1.01 -0.28 -0.74 120.40 125.57 3d8r s VAL 213 Ca -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3d8r s VAL 213 Cb -0.15 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3d8r s VAL 213 CO 0.05 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.88 3d8r n GLY 214 N 5.16 2.10 0.19 4.51 0.00 0.13 -4.42 105.19 112.86 3d8r n GLY 214 Ca -0.04 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3d8r n GLY 214 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d8r h ARG 215 N 0.00 0.09 -0.47 1.61 9.65 -1.91 -2.08 114.38 121.27 3d8r h ARG 215 Ca 0.00 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3d8r h ARG 215 Cb 0.00 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3d8r h ARG 215 CO 0.00 0.47 0.15 0.28 2.80 0.00 0.00 179.97 183.67 3d8r h VAL 216 N 0.08 1.22 -0.52 0.20 2.07 -1.98 0.14 116.25 117.46 3d8r h VAL 216 Ca 0.01 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3d8r h VAL 216 Cb 0.73 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3d8r h VAL 216 CO 0.05 0.27 0.34 0.74 0.02 0.00 0.00 177.57 178.99 3d8r h THR 217 N 0.62 1.12 -0.85 2.57 2.02 -1.75 -1.37 112.91 115.27 3d8r h THR 217 Ca 0.15 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3d8r h THR 217 Cb 0.26 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3d8r h THR 217 CO -0.01 0.13 0.53 0.00 0.37 0.00 0.00 175.52 176.54 3d8r h ALA 218 N 1.20 1.08 0.00 6.16 0.00 -0.94 -2.08 119.26 124.68 3d8r h ALA 218 Ca 0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3d8r h ALA 218 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3d8r h ALA 218 CO -0.05 0.53 -0.26 -0.44 0.00 0.00 0.00 179.25 179.03 3d8r h ASP 219 N 1.17 0.00 -0.17 0.00 3.45 -0.51 -2.00 116.42 118.37 3d8r h ASP 219 Ca 0.31 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.64 3d8r h ASP 219 Cb -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3d8r h ASP 219 CO -0.06 0.26 -0.35 0.00 -1.57 0.00 0.00 179.24 177.52 3d8r h ALA 220 N 1.74 0.82 -0.33 3.45 0.00 -0.88 -0.91 119.26 123.15 3d8r h ALA 220 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3d8r h ALA 220 Cb 1.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3d8r h ALA 220 CO 0.03 0.64 0.16 -0.07 0.00 0.00 0.00 179.25 180.02 3d8r h LEU 221 N 0.57 0.44 -1.17 0.00 3.38 -1.03 -2.77 115.31 114.73 3d8r h LEU 221 Ca 0.06 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3d8r h LEU 221 Cb 0.86 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 3d8r h LEU 221 CO 0.07 0.44 0.55 -0.09 0.09 0.00 0.00 178.44 179.51 3d8r h ARG 222 N 0.40 1.10 -0.65 1.13 2.43 -1.17 -0.83 114.38 116.79 3d8r h ARG 222 Ca 0.11 -0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 3d8r h ARG 222 Cb 0.12 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3d8r h ARG 222 CO -0.01 0.73 0.44 0.93 -1.51 0.00 0.00 179.97 180.55 3d8r h GLU 223 N 1.14 0.41 -0.60 0.20 5.08 -0.89 -1.31 114.58 118.61 3d8r h GLU 223 Ca 0.31 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3d8r h GLU 223 Cb -0.13 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3d8r h GLU 223 CO -0.07 0.27 0.00 0.91 -1.00 0.00 0.00 179.01 179.13 3d8r n TRP 224 N -4.47 0.99 -1.74 4.33 7.02 -0.60 -4.93 117.44 118.04 3d8r n TRP 224 Ca 0.11 -0.43 -0.06 0.00 -1.02 0.00 0.00 57.50 56.11 3d8r n TRP 224 Cb 0.41 -0.11 -0.01 0.00 -2.42 0.00 0.00 31.31 29.18 3d8r n TRP 224 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3d8r n GLY 225 N 1.17 0.40 3.48 6.99 0.00 -0.49 -4.92 105.19 111.82 3d8r n GLY 225 Ca 0.20 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 3d8r n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d8r s VAL 226 N -2.26 3.80 -0.41 1.61 1.01 -0.42 -4.95 120.40 118.80 3d8r s VAL 226 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 3d8r s VAL 226 Cb 0.00 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3d8r s VAL 226 CO 0.00 0.49 0.76 -0.75 0.00 0.00 0.00 175.10 175.60 3d8r s LYS 227 N 0.40 3.56 0.38 2.72 2.20 -1.26 -2.96 119.74 124.77 3d8r s LYS 227 Ca -0.04 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.34 3d8r s LYS 227 Cb -0.14 -3.88 -0.11 0.00 -1.51 0.00 0.00 37.83 32.19 3d8r s LYS 227 CO 0.03 -0.96 1.42 -2.30 -0.36 0.00 0.00 175.35 173.18 3d8r n PRO 228 N 6.49 2.47 0.06 4.03 -0.02 -1.26 -4.74 135.00 142.03 3d8r n PRO 228 Ca 0.02 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.22 3d8r n PRO 228 Cb 0.48 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 3d8r n PRO 228 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3d8r h PHE 229 N 2.74 0.71 -2.91 6.00 3.57 -0.49 -3.46 116.94 123.10 3d8r h PHE 229 Ca -0.49 -0.38 -0.15 0.00 3.53 0.00 0.00 57.97 60.48 3d8r h PHE 229 Cb 1.26 -0.08 -0.26 0.00 2.79 0.00 0.00 35.95 39.65 3d8r h PHE 229 CO 0.52 1.20 -0.36 -0.47 -2.23 0.00 0.00 178.31 176.96 3d8r s TYR 230 N -3.32 -0.40 -0.13 0.41 5.04 -1.21 -5.05 117.35 112.69 3d8r s TYR 230 Ca -0.07 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 55.51 3d8r s TYR 230 Cb 0.09 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.54 3d8r s TYR 230 CO 0.88 -0.22 -0.17 0.08 -1.34 0.00 0.00 175.55 174.78 3d8r s VAL 231 N 0.65 1.71 -0.21 3.14 1.01 -1.26 -1.42 120.40 124.02 3d8r s VAL 231 Ca -0.04 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3d8r s VAL 231 Cb -0.05 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3d8r s VAL 231 CO -0.04 0.48 0.36 -0.62 0.00 0.00 0.00 175.10 175.28 3d8r s ASP 232 N 1.06 6.39 0.00 3.32 2.15 0.08 -4.95 116.67 124.71 3d8r s ASP 232 Ca -0.04 0.45 0.22 0.00 0.43 0.00 0.00 52.55 53.62 3d8r s ASP 232 Cb -0.15 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 3d8r s ASP 232 CO -0.04 -0.05 1.05 -0.62 -0.17 0.00 0.00 175.17 175.34 3d8r n GLU 233 N 4.41 0.35 0.09 4.34 1.02 -1.26 0.21 120.64 129.79 3d8r n GLU 233 Ca -0.10 -0.28 0.12 0.00 -0.02 0.00 0.00 57.16 56.89 3d8r n GLU 233 Cb 0.51 -1.49 0.46 0.00 -0.02 0.00 0.00 31.44 30.89 3d8r n GLU 233 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3d8r n THR 234 N -1.08 0.60 -2.80 2.62 -2.24 -1.26 -4.85 114.28 105.28 3d8r n THR 234 Ca 0.06 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 3d8r n THR 234 Cb 0.37 -0.77 0.02 0.00 -2.10 0.00 0.00 70.33 67.85 3d8r n THR 234 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d8r n GLU 235 N -2.06 -3.77 -4.78 -0.78 1.02 -1.26 -5.01 120.64 104.00 3d8r n GLU 235 Ca 0.05 0.93 -0.33 0.00 -0.02 0.00 0.00 57.16 57.79 3d8r n GLU 235 Cb 0.34 -5.70 -0.15 0.00 -0.02 0.00 0.00 31.44 25.91 3d8r n GLU 235 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3d8r s ARG 236 N -5.46 3.27 0.31 3.49 0.52 -1.26 -5.02 118.95 114.79 3d8r s ARG 236 Ca 0.20 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3d8r s ARG 236 Cb -0.09 -2.57 0.52 0.00 0.52 0.00 0.00 34.95 33.33 3d8r s ARG 236 CO 0.25 0.14 1.83 1.25 0.02 0.00 0.00 175.30 178.79 3d8r h LEU 237 N 6.90 0.55 -0.60 2.53 5.85 -2.00 -2.22 115.31 126.33 3d8r h LEU 237 Ca -0.27 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3d8r h LEU 237 Cb 1.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3d8r h LEU 237 CO 0.54 0.64 0.28 1.23 -0.34 0.00 0.00 178.44 180.79 3d8r h GLY 238 N 0.89 0.93 1.18 3.75 0.00 -1.96 -2.90 103.07 104.95 3d8r h GLY 238 Ca 0.11 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3d8r h GLY 238 CO 0.02 0.44 0.10 1.76 0.00 0.00 0.00 176.54 178.86 3d8r h SER 239 N 0.81 0.96 -0.11 0.19 0.02 -1.93 -2.53 113.55 110.97 3d8r h SER 239 Ca 0.20 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3d8r h SER 239 Cb 0.13 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3d8r h SER 239 CO -0.02 0.96 -0.07 0.25 -1.14 0.00 0.00 176.83 176.80 3d8r h LEU 240 N 0.95 -0.24 -0.33 5.07 5.85 -1.22 0.70 115.31 126.10 3d8r h LEU 240 Ca 0.19 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.77 3d8r h LEU 240 Cb 0.41 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3d8r h LEU 240 CO 0.01 -0.10 -0.84 -0.07 -0.34 0.00 0.00 178.44 177.10 3d8r h LEU 241 N -0.08 0.26 -0.40 2.25 3.38 -1.48 0.97 115.31 120.21 3d8r h LEU 241 Ca 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3d8r h LEU 241 Cb 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3d8r h LEU 241 CO -0.16 0.99 0.16 1.56 0.09 0.00 0.00 178.44 181.08 3d8r h GLN 242 N 0.12 0.61 -0.57 1.13 4.20 -1.41 -1.87 115.11 117.32 3d8r h GLN 242 Ca -0.04 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3d8r h GLN 242 Cb 1.46 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 3d8r h GLN 242 CO 0.13 0.58 0.03 0.78 -0.67 0.00 0.00 178.83 179.68 3d8r h GLY 243 N 0.51 1.07 0.47 3.46 0.00 -0.68 -1.95 103.07 105.95 3d8r h GLY 243 Ca 0.13 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.75 3d8r h GLY 243 CO -0.01 0.70 -0.14 -2.75 0.00 0.00 0.00 176.54 174.34 3d8r h PHE 244 N 0.88 -0.35 -0.95 5.60 3.57 -0.80 0.89 116.94 125.78 3d8r h PHE 244 Ca 0.17 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.75 3d8r h PHE 244 Cb 0.50 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.35 3d8r h PHE 244 CO 0.04 -0.20 0.60 -0.22 -2.23 0.00 0.00 178.31 176.30 3d8r h LYS 245 N -0.16 1.06 -0.54 1.11 3.64 -1.14 0.62 116.57 121.17 3d8r h LYS 245 Ca 0.10 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3d8r h LYS 245 Cb 0.30 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3d8r h LYS 245 CO -0.24 0.70 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.50 3d8r h ARG 246 N 1.10 0.99 -0.86 1.90 2.43 -0.98 -2.10 114.38 116.84 3d8r h ARG 246 Ca 0.41 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3d8r h ARG 246 Cb 0.17 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 3d8r h ARG 246 CO -0.17 1.01 0.50 0.00 -1.51 0.00 0.00 179.97 179.80 3d8r h ALA 247 N 0.94 1.10 -0.76 2.80 0.00 0.02 -1.19 119.26 122.17 3d8r h ALA 247 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d8r h ALA 247 Cb 0.60 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3d8r h ALA 247 CO 0.04 0.59 0.48 -0.07 0.00 0.00 0.00 179.25 180.28 3d8r h LEU 248 N 1.20 0.89 -1.00 0.00 3.38 -0.68 -2.84 115.31 116.26 3d8r h LEU 248 Ca 0.31 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3d8r h LEU 248 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3d8r h LEU 248 CO -0.05 0.67 0.06 1.56 0.09 0.00 0.00 178.44 180.77 3d8r h GLN 249 N 1.03 0.78 0.00 1.13 4.20 -0.87 -2.40 115.11 118.98 3d8r h GLN 249 Ca 0.27 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3d8r h GLN 249 Cb -0.07 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3d8r h GLN 249 CO -0.05 0.75 0.00 1.63 -0.67 0.00 0.00 178.83 180.48 3d8r n LYS 250 N -4.25 0.04 0.13 1.46 4.76 -0.50 -2.61 118.16 117.21 3d8r n LYS 250 Ca 0.03 0.19 -0.00 0.00 -2.87 0.00 0.00 58.31 55.66 3d8r n LYS 250 Cb 0.26 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.22 3d8r n LYS 250 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3d8r h GLU 251 N 0.00 0.12 -0.03 1.97 5.08 -1.28 -3.51 114.58 116.93 3d8r h GLU 251 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3d8r h GLU 251 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3d8r h GLU 251 CO 0.00 0.52 0.00 1.33 -1.00 0.00 0.00 179.01 179.86