#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0r n PRO 1 N 0.00 -1.14 -2.74 -1.46 -0.02 -1.26 -4.93 135.00 123.45 3i0r n PRO 1 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 3i0r n PRO 1 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.56 3i0r n PRO 1 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i0r n ILE 2 N -2.56 0.69 -2.46 4.25 2.08 -1.26 -4.41 119.36 115.68 3i0r n ILE 2 Ca 0.00 -2.24 -0.01 0.00 0.56 0.00 0.00 62.75 61.07 3i0r n ILE 2 Cb 0.00 1.04 -0.01 0.00 -0.75 0.00 0.00 39.64 39.93 3i0r n ILE 2 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3i0r n SER 3 N -0.73 -3.89 -0.30 4.38 2.88 -1.11 -4.64 113.62 110.22 3i0r n SER 3 Ca -0.01 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 3i0r n SER 3 Cb 0.83 -2.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.80 3i0r n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i0r n PRO 4 N 2.12 0.51 -2.06 -1.46 -0.04 -1.26 -4.72 135.00 128.09 3i0r n PRO 4 Ca -0.05 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 3i0r n PRO 4 Cb 0.08 -1.15 0.11 0.00 -0.04 0.00 0.00 33.50 32.49 3i0r n PRO 4 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i0r s ILE 5 N -1.40 2.10 0.64 0.52 -0.00 -1.26 -5.05 121.20 116.74 3i0r s ILE 5 Ca 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 60.65 60.41 3i0r s ILE 5 Cb 0.00 -2.96 0.16 0.00 -0.00 0.00 0.00 42.46 39.66 3i0r s ILE 5 CO 0.00 0.00 0.37 -0.62 -0.00 0.00 0.00 174.94 174.69 3i0r n GLU 6 N -3.27 -3.02 -4.00 0.37 -0.58 -1.26 -4.97 120.64 103.91 3i0r n GLU 6 Ca 0.11 -0.62 -0.12 0.00 -0.42 0.00 0.00 57.16 56.11 3i0r n GLU 6 Cb 0.60 -0.84 -0.12 0.00 -0.57 0.00 0.00 31.44 30.51 3i0r n GLU 6 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3i0r s THR 7 N -1.46 0.23 -0.36 2.62 -1.32 -1.26 -4.88 115.64 109.21 3i0r s THR 7 Ca 0.29 -0.59 -0.15 0.00 -1.21 0.00 0.00 61.69 60.02 3i0r s THR 7 Cb -0.05 -0.29 -0.00 0.00 -1.51 0.00 0.00 72.50 70.65 3i0r s THR 7 CO 0.24 -0.24 0.36 -0.69 -2.21 0.00 0.00 174.62 172.08 3i0r s VAL 8 N -0.83 5.17 -0.20 5.08 1.01 -1.26 -4.96 120.40 124.41 3i0r s VAL 8 Ca -0.07 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 3i0r s VAL 8 Cb -0.06 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3i0r s VAL 8 CO -0.00 -0.17 1.93 -2.16 0.00 0.00 0.00 175.10 174.70 3i0r s PRO 9 N 1.99 3.52 0.61 2.72 0.04 -1.26 -4.12 135.00 138.50 3i0r s PRO 9 Ca 0.11 1.91 0.03 0.00 0.04 0.00 0.00 61.00 63.08 3i0r s PRO 9 Cb -0.17 -4.21 0.12 0.00 0.04 0.00 0.00 34.50 30.28 3i0r s PRO 9 CO 0.12 -1.64 0.85 0.28 0.04 0.00 0.00 177.00 176.64 3i0r n VAL 10 N 6.95 0.00 -3.61 -0.36 0.31 -1.26 -5.09 118.33 115.27 3i0r n VAL 10 Ca 0.24 -1.52 -0.08 0.00 -0.01 0.00 0.00 64.34 62.97 3i0r n VAL 10 Cb 0.45 -0.82 -0.06 0.00 -0.91 0.00 0.00 33.84 32.50 3i0r n VAL 10 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3i0r s LYS 11 N -4.69 0.40 0.71 5.55 1.02 -1.26 -4.96 119.74 116.51 3i0r s LYS 11 Ca 0.58 0.22 -0.11 0.00 0.02 0.00 0.00 55.97 56.68 3i0r s LYS 11 Cb -0.04 0.19 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 3i0r s LYS 11 CO 0.38 -0.10 1.09 -0.51 -0.92 0.00 0.00 175.35 175.30 3i0r s LEU 12 N -0.62 2.90 0.32 3.17 1.43 -1.26 -0.36 118.68 124.25 3i0r s LEU 12 Ca 0.03 1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 3i0r s LEU 12 Cb -0.02 -3.96 -0.10 0.00 0.03 0.00 0.00 46.19 42.14 3i0r s LEU 12 CO -0.04 -1.36 1.37 -0.54 0.23 0.00 0.00 176.35 176.01 3i0r s LYS 13 N -5.34 4.30 0.11 1.70 1.02 0.10 -4.49 119.74 117.15 3i0r s LYS 13 Ca 0.58 2.29 -0.29 0.00 0.02 0.00 0.00 55.97 58.57 3i0r s LYS 13 Cb -0.11 -3.07 -0.16 0.00 -0.52 0.00 0.00 37.83 33.97 3i0r s LYS 13 CO 0.52 -0.30 0.65 -2.30 -0.92 0.00 0.00 175.35 173.00 3i0r n PRO 14 N 1.14 0.00 -1.23 -1.68 -0.01 -1.26 -0.78 135.00 131.18 3i0r n PRO 14 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 63.50 63.43 3i0r n PRO 14 Cb 0.41 -1.05 -0.04 0.00 -0.01 0.00 0.00 33.50 32.81 3i0r n PRO 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3i0r n GLY 15 N 1.61 0.79 3.62 -1.23 0.00 -1.26 -4.96 105.19 103.75 3i0r n GLY 15 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3i0r n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i0r s MET 16 N -2.69 2.23 0.28 1.61 -1.94 0.04 -5.14 119.30 113.69 3i0r s MET 16 Ca 0.00 -1.24 0.11 0.00 -1.71 0.00 0.00 55.69 52.86 3i0r s MET 16 Cb 0.00 -2.23 -0.05 0.00 2.01 0.00 0.00 34.83 34.56 3i0r s MET 16 CO 0.00 0.43 -0.14 0.34 -0.01 0.00 0.00 175.02 175.64 3i0r s ASP 17 N -3.02 3.85 0.48 3.03 3.68 -1.26 -4.78 116.67 118.65 3i0r s ASP 17 Ca 0.27 -0.94 -0.03 0.00 2.13 0.00 0.00 52.55 53.98 3i0r s ASP 17 Cb -0.09 -0.44 0.04 0.00 -1.45 0.00 0.00 42.92 40.99 3i0r s ASP 17 CO 0.17 0.01 0.10 0.61 0.13 0.00 0.00 175.17 176.19 3i0r n GLY 18 N -0.71 -0.70 3.95 2.66 0.00 -1.26 -4.95 105.19 104.18 3i0r n GLY 18 Ca -0.05 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3i0r n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i0r s PRO 19 N -1.77 3.21 -0.34 1.61 0.04 -1.26 -4.99 135.00 131.50 3i0r s PRO 19 Ca 0.07 -0.41 0.15 0.00 0.04 0.00 0.00 61.00 60.85 3i0r s PRO 19 Cb -0.01 -2.58 0.44 0.00 0.04 0.00 0.00 34.50 32.39 3i0r s PRO 19 CO 0.06 -0.15 1.21 1.63 0.04 0.00 0.00 177.00 179.79 3i0r n LYS 20 N -2.01 1.29 -3.15 4.56 5.02 -1.17 -2.74 118.16 119.97 3i0r n LYS 20 Ca -0.00 -2.49 -0.37 0.00 -2.02 0.00 0.00 58.31 53.42 3i0r n LYS 20 Cb 0.57 -0.64 -0.06 0.00 -0.02 0.00 0.00 35.03 34.88 3i0r n LYS 20 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i0r s VAL 21 N -1.61 4.61 0.44 -0.18 0.11 0.46 -4.81 120.40 119.42 3i0r s VAL 21 Ca 0.23 1.28 -0.22 0.00 -2.93 0.00 0.00 61.98 60.33 3i0r s VAL 21 Cb 0.42 -3.90 -0.09 0.00 -1.53 0.00 0.00 36.38 31.28 3i0r s VAL 21 CO -0.04 0.34 1.06 -1.59 -3.33 0.00 0.00 175.10 171.53 3i0r s LYS 22 N -1.65 3.98 -0.25 1.54 -2.85 -1.26 -4.32 119.74 114.93 3i0r s LYS 22 Ca 0.38 1.48 -0.25 0.00 -1.00 0.00 0.00 55.97 56.58 3i0r s LYS 22 Cb -0.18 -2.35 -0.00 0.00 -2.06 0.00 0.00 37.83 33.23 3i0r s LYS 22 CO 0.21 -0.29 0.87 -1.14 0.10 0.00 0.00 175.35 175.10 3i0r s GLN 23 N -2.80 4.17 0.61 1.78 2.00 -1.26 -4.72 119.66 119.44 3i0r s GLN 23 Ca 0.62 0.98 -0.18 0.00 -2.00 0.00 0.00 55.36 54.78 3i0r s GLN 23 Cb -0.20 -3.66 -0.02 0.00 0.80 0.00 0.00 33.01 29.93 3i0r s GLN 23 CO 0.25 -0.57 1.20 -0.46 -0.50 0.00 0.00 175.29 175.22 3i0r s TRP 24 N 2.94 2.36 0.43 1.67 -0.11 -1.26 -4.96 118.94 120.02 3i0r s TRP 24 Ca 0.36 1.53 -0.26 0.00 1.22 0.00 0.00 56.10 58.95 3i0r s TRP 24 Cb -0.15 -3.46 -0.09 0.00 -1.50 0.00 0.00 33.47 28.27 3i0r s TRP 24 CO 0.08 -2.23 1.43 -2.30 -4.62 0.00 0.00 176.95 169.31 3i0r n PRO 25 N -1.79 2.30 -4.41 5.86 -0.02 -1.26 -4.95 135.00 130.73 3i0r n PRO 25 Ca 0.13 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 62.17 3i0r n PRO 25 Cb 0.50 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.26 3i0r n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i0r s LEU 26 N -2.45 2.58 0.91 2.45 1.02 -1.26 -5.14 118.68 116.79 3i0r s LEU 26 Ca 0.60 -0.85 -0.11 0.00 0.02 0.00 0.00 54.13 53.79 3i0r s LEU 26 Cb -0.46 -1.25 0.14 0.00 0.02 0.00 0.00 46.19 44.64 3i0r s LEU 26 CO 0.59 0.10 1.09 0.42 0.02 0.00 0.00 176.35 178.57 3i0r s THR 27 N -1.87 2.60 0.25 5.49 -4.23 -1.26 -4.63 115.64 111.99 3i0r s THR 27 Ca 0.24 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.92 3i0r s THR 27 Cb -0.07 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.26 3i0r s THR 27 CO 0.12 -0.25 1.70 -0.33 -0.54 0.00 0.00 174.62 175.32 3i0r h GLU 28 N -1.66 0.69 -0.28 3.99 5.08 -2.00 -1.03 114.58 119.37 3i0r h GLU 28 Ca -0.49 -0.24 -0.19 0.00 -1.00 0.00 0.00 59.36 57.44 3i0r h GLU 28 Cb 1.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3i0r h GLU 28 CO 0.52 0.82 -0.56 1.05 -1.00 0.00 0.00 179.01 179.84 3i0r h GLU 29 N 0.62 0.87 0.17 2.33 4.11 -1.98 0.41 114.58 121.12 3i0r h GLU 29 Ca 0.10 -0.56 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 3i0r h GLU 29 Cb 0.62 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3i0r h GLU 29 CO 0.04 1.20 -0.08 0.87 0.07 0.00 0.00 179.01 181.10 3i0r h LYS 30 N 0.67 -0.23 -0.70 1.06 1.57 -1.91 0.31 116.57 117.34 3i0r h LYS 30 Ca 0.01 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 58.98 3i0r h LYS 30 Cb 1.17 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 3i0r h LYS 30 CO 0.12 -0.07 0.48 0.82 -0.57 0.00 0.00 179.45 180.24 3i0r h ILE 31 N -0.34 0.73 0.12 1.86 2.04 -1.06 -1.96 117.51 118.90 3i0r h ILE 31 Ca -0.02 -0.07 -0.30 0.00 1.00 0.00 0.00 64.86 65.47 3i0r h ILE 31 Cb 0.26 0.51 0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3i0r h ILE 31 CO 0.04 0.04 -1.25 0.50 0.00 0.00 0.00 178.15 177.48 3i0r h LYS 32 N 0.20 0.63 -0.49 2.37 3.64 -0.11 -2.50 116.57 120.30 3i0r h LYS 32 Ca 0.34 -0.84 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 3i0r h LYS 32 Cb 1.05 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 3i0r h LYS 32 CO -0.06 1.38 0.22 0.00 -2.27 0.00 0.00 179.45 178.71 3i0r h ALA 33 N 0.29 0.64 0.25 5.00 0.00 -0.51 -1.64 119.26 123.29 3i0r h ALA 33 Ca -0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3i0r h ALA 33 Cb 1.92 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3i0r h ALA 33 CO 0.24 0.22 -0.12 -0.07 0.00 0.00 0.00 179.25 179.52 3i0r h LEU 34 N 0.65 -0.30 -0.88 0.00 3.38 -1.37 0.79 115.31 117.58 3i0r h LEU 34 Ca 0.17 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.32 3i0r h LEU 34 Cb 0.16 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 3i0r h LEU 34 CO -0.02 -0.21 0.45 0.58 0.09 0.00 0.00 178.44 179.34 3i0r h VAL 35 N -0.34 0.65 0.43 1.22 2.07 -1.34 0.28 116.25 119.22 3i0r h VAL 35 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3i0r h VAL 35 Cb 0.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3i0r h VAL 35 CO 0.05 0.11 -0.21 -0.33 0.02 0.00 0.00 177.57 177.21 3i0r h GLU 36 N 0.58 -0.56 -0.41 1.57 5.08 0.04 -2.62 114.58 118.25 3i0r h GLU 36 Ca 0.51 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.98 3i0r h GLU 36 Cb 0.81 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 3i0r h GLU 36 CO -0.41 -0.26 -0.03 0.82 -1.00 0.00 0.00 179.01 178.14 3i0r h ILE 37 N -0.89 0.66 0.42 3.13 2.04 0.98 -2.86 117.51 120.99 3i0r h ILE 37 Ca -0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3i0r h ILE 37 Cb 0.57 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3i0r h ILE 37 CO 0.10 0.01 -0.20 0.00 0.00 0.00 0.00 178.15 178.06 3i0r h THR 39 N -0.63 0.75 0.59 0.00 1.35 -1.50 1.07 112.91 114.54 3i0r h THR 39 Ca -0.06 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 3i0r h THR 39 Cb 0.47 0.67 0.01 0.00 -1.73 0.00 0.00 68.15 67.57 3i0r h THR 39 CO 0.10 0.01 -0.28 -0.08 -0.25 0.00 0.00 175.52 175.02 3i0r h GLU 40 N 0.08 -0.76 -0.83 4.72 4.57 -1.09 -0.59 114.58 120.67 3i0r h GLU 40 Ca 0.27 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.70 3i0r h GLU 40 Cb 0.96 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.57 3i0r h GLU 40 CO -0.02 -0.51 -0.01 0.52 -1.18 0.00 0.00 179.01 177.81 3i0r h MET 41 N -0.90 0.07 -0.41 1.92 2.86 -0.08 -1.76 114.93 116.63 3i0r h MET 41 Ca -0.08 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.47 3i0r h MET 41 Cb 0.60 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3i0r h MET 41 CO 0.13 0.05 -0.09 1.49 1.06 0.00 0.00 176.91 179.55 3i0r h GLU 42 N 0.07 0.71 -0.66 1.72 4.81 0.12 0.29 114.58 121.65 3i0r h GLU 42 Ca 0.46 -0.22 0.15 0.00 -0.13 0.00 0.00 59.36 59.63 3i0r h GLU 42 Cb 0.85 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3i0r h GLU 42 CO -0.76 0.79 0.45 0.87 -0.73 0.00 0.00 179.01 179.63 3i0r h LYS 43 N 0.65 0.21 -0.61 1.92 1.79 -0.19 -0.16 116.57 120.19 3i0r h LYS 43 Ca 0.12 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3i0r h LYS 43 Cb 0.54 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3i0r h LYS 43 CO 0.03 0.14 0.00 0.39 -1.08 0.00 0.00 179.45 178.93 3i0r n GLU 44 N -4.43 2.96 -0.41 3.15 1.02 0.99 -4.91 120.64 119.01 3i0r n GLU 44 Ca 0.12 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 3i0r n GLU 44 Cb 0.57 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3i0r n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i0r n GLY 45 N 1.03 0.41 0.37 0.62 0.00 -0.07 -4.75 105.19 102.79 3i0r n GLY 45 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3i0r n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i0r h LYS 46 N 0.65 0.85 -4.91 1.61 1.57 -1.74 -3.41 116.57 111.18 3i0r h LYS 46 Ca 0.00 -0.05 -0.46 0.00 -1.87 0.00 0.00 60.65 58.27 3i0r h LYS 46 Cb 0.00 -0.19 -0.14 0.00 0.08 0.00 0.00 32.23 31.98 3i0r h LYS 46 CO 0.00 0.56 -0.53 0.96 -0.57 0.00 0.00 179.45 179.87 3i0r s ILE 47 N -5.85 0.30 0.02 1.86 -4.36 -1.25 -1.05 121.20 110.86 3i0r s ILE 47 Ca -0.11 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.07 3i0r s ILE 47 Cb 0.22 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.51 3i0r s ILE 47 CO 0.80 0.00 0.46 -0.44 0.24 0.00 0.00 174.94 176.00 3i0r s SER 48 N -3.42 -0.36 0.38 4.36 0.01 -0.51 -4.49 113.70 109.67 3i0r s SER 48 Ca 0.34 0.17 -0.25 0.00 1.31 0.00 0.00 55.95 57.52 3i0r s SER 48 Cb 0.04 0.44 -0.09 0.00 0.21 0.00 0.00 66.02 66.61 3i0r s SER 48 CO 0.19 -0.63 1.04 -0.54 0.41 0.00 0.00 173.24 173.71 3i0r s LYS 49 N -2.06 4.25 0.30 12.44 1.02 -1.26 -1.35 119.74 133.07 3i0r s LYS 49 Ca -0.08 1.50 0.01 0.00 0.02 0.00 0.00 55.97 57.42 3i0r s LYS 49 Cb -0.01 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3i0r s LYS 49 CO 0.01 -0.06 0.31 0.96 -0.92 0.00 0.00 175.35 175.65 3i0r s ILE 50 N -1.63 0.00 0.29 2.17 -4.36 -0.75 -4.90 121.20 112.02 3i0r s ILE 50 Ca 0.56 -1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 59.08 3i0r s ILE 50 Cb -0.22 -2.52 0.06 0.00 1.25 0.00 0.00 42.46 41.03 3i0r s ILE 50 CO 0.28 0.00 0.40 0.61 0.24 0.00 0.00 174.94 176.46 3i0r n GLY 51 N -0.51 -0.04 1.05 6.27 0.00 -1.26 -4.50 105.19 106.20 3i0r n GLY 51 Ca 0.04 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.30 3i0r n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i0r n PRO 52 N -1.78 2.38 -0.01 1.61 -0.04 -1.26 -4.10 135.00 131.80 3i0r n PRO 52 Ca 0.06 -2.18 -0.13 0.00 -0.04 0.00 0.00 63.50 61.21 3i0r n PRO 52 Cb 0.21 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.11 3i0r n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3i0r h GLU 53 N 4.01 0.01 -6.29 0.54 9.09 -2.02 -3.41 114.58 116.51 3i0r h GLU 53 Ca 0.00 -0.01 -0.60 0.00 0.05 0.00 0.00 59.36 58.80 3i0r h GLU 53 Cb 0.92 -0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.04 3i0r h GLU 53 CO 0.00 0.41 1.11 -1.71 0.05 0.00 0.00 179.01 178.87 3i0r n ASN 54 N -4.89 3.55 -1.06 3.06 2.85 -1.26 -4.83 115.26 112.68 3i0r n ASN 54 Ca -0.08 0.97 0.07 0.00 -0.11 0.00 0.00 54.58 55.42 3i0r n ASN 54 Cb 0.21 -1.39 0.23 0.00 1.24 0.00 0.00 39.78 40.07 3i0r n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i0r n PRO 55 N 6.69 2.58 -4.23 1.20 -0.04 -1.26 -4.92 135.00 135.02 3i0r n PRO 55 Ca 0.22 -1.83 -0.33 0.00 -0.04 0.00 0.00 63.50 61.52 3i0r n PRO 55 Cb 0.31 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 3i0r n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i0r s TYR 56 N -1.62 3.16 -0.17 0.54 2.02 -1.26 -4.86 117.35 115.16 3i0r s TYR 56 Ca 0.33 0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 57.06 3i0r s TYR 56 Cb 0.20 -1.71 0.05 0.00 -0.40 0.00 0.00 41.96 40.10 3i0r s TYR 56 CO 0.18 0.49 0.41 1.21 -1.57 0.00 0.00 175.55 176.28 3i0r s ASN 57 N -1.51 -0.49 0.06 2.29 3.84 -1.11 -4.60 114.94 113.42 3i0r s ASN 57 Ca 0.20 0.87 0.09 0.00 0.21 0.00 0.00 52.86 54.23 3i0r s ASN 57 Cb -0.12 0.81 -0.03 0.00 -0.55 0.00 0.00 41.25 41.36 3i0r s ASN 57 CO 0.10 -0.17 -0.24 -0.89 -2.79 0.00 0.00 177.10 173.11 3i0r s THR 58 N 0.94 2.36 0.62 -5.21 2.01 0.12 -0.40 115.64 116.07 3i0r s THR 58 Ca -0.06 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.39 3i0r s THR 58 Cb -0.06 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 3i0r s THR 58 CO -0.08 0.30 1.06 -2.16 -0.69 0.00 0.00 174.62 173.05 3i0r s PRO 59 N -1.48 3.23 0.06 4.92 0.04 -1.26 -4.08 135.00 136.43 3i0r s PRO 59 Ca 0.13 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.39 3i0r s PRO 59 Cb -0.10 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3i0r s PRO 59 CO 0.04 -0.88 -0.21 0.08 0.04 0.00 0.00 177.00 176.08 3i0r s VAL 60 N -2.59 1.66 0.37 -0.36 1.01 -1.26 -2.51 120.40 116.72 3i0r s VAL 60 Ca 0.62 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3i0r s VAL 60 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3i0r s VAL 60 CO 0.41 0.13 0.18 0.12 0.00 0.00 0.00 175.10 175.93 3i0r s PHE 61 N -0.90 1.74 -0.24 5.22 5.36 0.38 -4.93 117.98 124.61 3i0r s PHE 61 Ca 0.07 -1.41 -0.09 0.00 -0.96 0.00 0.00 56.93 54.54 3i0r s PHE 61 Cb -0.09 -0.98 0.11 0.00 -0.34 0.00 0.00 43.02 41.72 3i0r s PHE 61 CO 0.02 -0.50 0.53 0.00 -1.46 0.00 0.00 175.22 173.81 3i0r s ALA 62 N -3.35 -1.57 0.29 11.12 0.00 -1.26 0.96 121.76 127.96 3i0r s ALA 62 Ca 0.30 1.91 0.06 0.00 0.00 0.00 0.00 51.96 54.24 3i0r s ALA 62 Cb 0.03 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.59 3i0r s ALA 62 CO 0.19 -0.78 -0.05 0.96 0.00 0.00 0.00 175.76 176.08 3i0r s ILE 63 N 2.62 1.62 0.01 0.00 -5.25 0.22 -4.92 121.20 115.49 3i0r s ILE 63 Ca -0.04 -2.11 -0.07 0.00 -0.99 0.00 0.00 60.65 57.43 3i0r s ILE 63 Cb -0.11 -2.50 -0.04 0.00 2.95 0.00 0.00 42.46 42.76 3i0r s ILE 63 CO -0.16 -0.26 0.96 0.11 -1.79 0.00 0.00 174.94 173.80 3i0r h LYS 64 N 2.25 -0.25 0.00 0.37 1.79 -1.86 0.76 116.57 119.63 3i0r h LYS 64 Ca -0.40 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 3i0r h LYS 64 Cb 1.24 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 3i0r h LYS 64 CO 0.68 -0.17 0.00 1.17 -1.08 0.00 0.00 179.45 180.05 3i0r n LYS 65 N -2.79 0.00 -1.35 3.15 3.00 -1.26 -3.31 118.16 115.59 3i0r n LYS 65 Ca -0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.83 3i0r n LYS 65 Cb 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.00 3i0r n LYS 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i0r n LYS 66 N 0.00 0.00 0.00 1.64 4.76 -1.26 -2.34 118.16 120.96 3i0r n LYS 66 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i0r n LYS 66 Cb 0.00 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 3i0r n LYS 66 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i0r n ASP 67 N 9.11 0.00 -3.41 4.39 2.03 -1.26 -4.96 116.55 122.45 3i0r n ASP 67 Ca 0.60 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.63 3i0r n ASP 67 Cb 0.01 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.67 3i0r n ASP 67 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3i0r n SER 68 N 2.24 -3.79 -0.63 1.67 2.88 -0.99 -4.97 113.62 110.03 3i0r n SER 68 Ca 0.00 -0.73 0.05 0.00 -1.33 0.00 0.00 58.87 56.86 3i0r n SER 68 Cb 0.00 -0.98 0.20 0.00 -0.75 0.00 0.00 64.21 62.68 3i0r n SER 68 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3i0r n THR 69 N -5.51 2.23 -3.78 2.46 5.66 -1.26 -4.74 114.28 109.33 3i0r n THR 69 Ca 0.11 -3.08 -0.08 0.00 -3.05 0.00 0.00 64.05 57.95 3i0r n THR 69 Cb 0.55 -0.25 -0.01 0.00 -1.55 0.00 0.00 70.33 69.07 3i0r n THR 69 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 3i0r n LYS 70 N -1.14 1.37 -3.78 1.09 2.85 -1.26 -5.11 118.16 112.17 3i0r n LYS 70 Ca 0.21 -1.01 -0.20 0.00 -1.05 0.00 0.00 58.31 56.26 3i0r n LYS 70 Cb 0.74 0.16 -0.17 0.00 -0.65 0.00 0.00 35.03 35.10 3i0r n LYS 70 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3i0r s TRP 71 N -0.99 0.30 -0.07 5.58 0.52 -1.21 -4.23 118.94 118.84 3i0r s TRP 71 Ca 0.06 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.26 3i0r s TRP 71 Cb -0.01 -0.53 -0.02 0.00 -1.15 0.00 0.00 33.47 31.76 3i0r s TRP 71 CO 0.04 -0.20 -0.14 -0.98 0.02 0.00 0.00 176.95 175.69 3i0r s ARG 72 N 1.69 2.77 -0.20 4.98 1.70 0.26 -4.97 118.95 125.19 3i0r s ARG 72 Ca -0.00 -0.69 -0.25 0.00 -0.47 0.00 0.00 55.73 54.32 3i0r s ARG 72 Cb -0.13 -2.46 -0.01 0.00 -0.57 0.00 0.00 34.95 31.79 3i0r s ARG 72 CO -0.03 0.50 0.82 0.21 -1.08 0.00 0.00 175.30 175.73 3i0r s LYS 73 N -0.42 4.25 -0.15 3.89 2.20 -1.26 -0.61 119.74 127.64 3i0r s LYS 73 Ca 0.05 0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 56.57 3i0r s LYS 73 Cb -0.12 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3i0r s LYS 73 CO 0.02 -0.40 0.07 -0.51 -0.36 0.00 0.00 175.35 174.18 3i0r s LEU 74 N 2.41 3.94 -0.09 5.43 1.43 0.27 -4.94 118.68 127.13 3i0r s LEU 74 Ca 0.37 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3i0r s LEU 74 Cb -0.16 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 3i0r s LEU 74 CO 0.10 0.26 -0.12 -0.69 0.23 0.00 0.00 176.35 176.13 3i0r s VAL 75 N -0.17 3.18 -0.97 -1.59 1.01 -1.26 0.14 120.40 120.75 3i0r s VAL 75 Ca 0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3i0r s VAL 75 Cb -0.12 -2.29 0.24 0.00 0.00 0.00 0.00 36.38 34.21 3i0r s VAL 75 CO 0.01 0.56 0.90 -0.62 0.00 0.00 0.00 175.10 175.96 3i0r s ASP 76 N -0.27 6.61 0.00 3.32 3.68 -1.04 -4.89 116.67 124.07 3i0r s ASP 76 Ca 0.02 -3.52 0.17 0.00 2.13 0.00 0.00 52.55 51.35 3i0r s ASP 76 Cb -0.13 -2.07 0.92 0.00 -1.45 0.00 0.00 42.92 40.19 3i0r s ASP 76 CO 0.03 -0.28 1.46 0.49 0.13 0.00 0.00 175.17 177.01 3i0r n PHE 77 N 2.71 0.00 -0.15 -5.34 3.72 -1.26 -4.29 117.46 112.85 3i0r n PHE 77 Ca 0.21 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.57 3i0r n PHE 77 Cb 0.39 -0.17 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 3i0r n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i0r n ARG 78 N -1.17 -0.15 -0.22 -1.08 1.74 -1.26 0.40 116.66 114.92 3i0r n ARG 78 Ca 0.10 0.62 -0.08 0.00 -0.77 0.00 0.00 57.85 57.73 3i0r n ARG 78 Cb 0.10 -0.92 0.03 0.00 -1.02 0.00 0.00 32.46 30.65 3i0r n ARG 78 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3i0r h GLU 79 N 0.00 0.95 0.00 5.56 4.57 -1.98 0.68 114.58 124.37 3i0r h GLU 79 Ca 0.06 -0.21 -0.24 0.00 -1.18 0.00 0.00 59.36 57.78 3i0r h GLU 79 Cb 0.14 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3i0r h GLU 79 CO -0.33 0.85 -0.98 1.25 -1.18 0.00 0.00 179.01 178.62 3i0r h LEU 80 N 0.87 0.66 -1.22 1.64 5.85 -1.12 -2.36 115.31 119.63 3i0r h LEU 80 Ca 0.19 -0.53 0.17 0.00 0.84 0.00 0.00 57.88 58.55 3i0r h LEU 80 Cb 0.30 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3i0r h LEU 80 CO -0.00 1.33 0.60 0.78 -0.34 0.00 0.00 178.44 180.81 3i0r h ASN 81 N 0.28 0.67 -0.02 1.25 2.35 0.60 0.36 115.58 121.07 3i0r h ASN 81 Ca -0.10 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i0r h ASN 81 Cb 1.63 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.93 3i0r h ASN 81 CO 0.18 0.29 0.00 1.17 -1.65 0.00 0.00 177.43 177.42 3i0r n LYS 82 N -4.62 1.16 0.00 0.81 4.81 0.17 -2.92 118.16 117.58 3i0r n LYS 82 Ca 0.20 -0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 3i0r n LYS 82 Cb 0.55 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.19 3i0r n LYS 82 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i0r n ARG 83 N -0.64 0.09 -3.40 1.64 1.74 0.11 -4.98 116.66 111.23 3i0r n ARG 83 Ca 0.19 -0.69 -0.37 0.00 -0.77 0.00 0.00 57.85 56.22 3i0r n ARG 83 Cb 0.15 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 3i0r n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i0r s THR 84 N -0.24 4.91 0.59 0.55 2.01 -0.45 0.03 115.64 123.04 3i0r s THR 84 Ca 0.00 0.86 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 3i0r s THR 84 Cb 0.00 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 3i0r s THR 84 CO 0.00 0.39 0.75 0.00 -0.69 0.00 0.00 174.62 175.08 3i0r n GLN 85 N 1.25 0.70 -2.22 4.92 10.64 0.51 -4.52 117.38 128.65 3i0r n GLN 85 Ca -0.09 0.27 -0.35 0.00 -1.83 0.00 0.00 57.00 55.01 3i0r n GLN 85 Cb 0.52 -1.94 0.01 0.00 -0.86 0.00 0.00 30.24 27.96 3i0r n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i0r s ASP 86 N -1.22 5.65 0.00 2.61 -0.00 -1.26 -4.91 116.67 117.54 3i0r s ASP 86 Ca 0.73 2.20 0.00 0.00 -0.00 0.00 0.00 52.55 55.47 3i0r s ASP 86 Cb -0.43 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 39.91 3i0r s ASP 86 CO 0.50 -1.27 0.00 0.49 -0.00 0.00 0.00 175.17 174.90 3i0r n PHE 87 N -1.35 -0.85 -3.08 4.23 3.72 -1.26 -5.07 117.46 113.80 3i0r n PHE 87 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 3i0r n PHE 87 Cb 0.51 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 3i0r n PHE 87 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3i0r s TRP 88 N -0.32 3.22 0.09 1.38 -0.00 -1.26 -4.99 118.94 117.06 3i0r s TRP 88 Ca 0.00 0.66 -0.16 0.00 -0.00 0.00 0.00 56.10 56.60 3i0r s TRP 88 Cb 0.00 -3.02 -0.09 0.00 -0.00 0.00 0.00 33.47 30.36 3i0r s TRP 88 CO 0.00 -0.47 0.31 0.39 -0.00 0.00 0.00 176.95 177.18 3i0r n GLU 89 N 5.93 0.00 0.00 5.86 -0.58 -1.26 -4.90 120.64 125.69 3i0r n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i0r n GLU 89 Cb 0.49 -0.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.79 3i0r n GLU 89 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i0r n VAL 90 N 0.11 0.00 -3.54 2.62 0.31 -1.26 -4.71 118.33 111.85 3i0r n VAL 90 Ca 0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.03 3i0r n VAL 90 Cb 0.12 -0.49 -0.11 0.00 -0.91 0.00 0.00 33.84 32.45 3i0r n VAL 90 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3i0r s GLN 91 N 0.00 3.52 -0.34 5.55 2.00 -1.26 -4.98 119.66 124.14 3i0r s GLN 91 Ca 0.00 -0.62 0.08 0.00 -2.00 0.00 0.00 55.36 52.82 3i0r s GLN 91 Cb 0.00 -3.78 0.72 0.00 0.80 0.00 0.00 33.01 30.75 3i0r s GLN 91 CO 0.00 -0.42 1.81 -0.11 -0.50 0.00 0.00 175.29 176.07 3i0r n LEU 92 N 5.09 6.18 -3.68 3.68 7.94 -1.26 -4.86 117.00 130.08 3i0r n LEU 92 Ca -0.13 -3.23 -0.01 0.00 -1.11 0.00 0.00 56.01 51.53 3i0r n LEU 92 Cb 0.50 -0.76 -0.01 0.00 0.53 0.00 0.00 43.42 43.68 3i0r n LEU 92 CO 0.36 0.84 0.88 -0.83 -1.11 0.00 0.00 177.39 177.53 3i0r s GLY 93 N -1.01 -0.32 -0.00 -3.96 0.00 -1.26 -5.17 107.32 95.59 3i0r s GLY 93 Ca 0.54 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.71 3i0r s GLY 93 CO 0.13 0.08 -0.01 -0.26 0.00 0.00 0.00 173.10 173.04 3i0r s ILE 94 N -2.87 0.07 0.64 0.90 -5.25 -1.26 -5.13 121.20 108.31 3i0r s ILE 94 Ca 0.13 -0.06 -0.17 0.00 -0.99 0.00 0.00 60.65 59.56 3i0r s ILE 94 Cb 0.02 -0.07 -0.05 0.00 2.95 0.00 0.00 42.46 45.31 3i0r s ILE 94 CO -0.01 0.01 0.75 -2.65 -1.79 0.00 0.00 174.94 171.25 3i0r n PRO 95 N 3.02 0.59 -4.03 0.37 -0.02 -1.26 -4.97 135.00 128.70 3i0r n PRO 95 Ca -0.12 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 3i0r n PRO 95 Cb 0.60 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 3i0r n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i0r s HIS 96 N -1.70 3.29 0.31 6.00 2.46 -1.26 -4.98 115.29 119.40 3i0r s HIS 96 Ca 0.72 0.15 0.08 0.00 0.47 0.00 0.00 55.06 56.48 3i0r s HIS 96 Cb -0.40 -2.02 0.88 0.00 -0.13 0.00 0.00 32.58 30.91 3i0r s HIS 96 CO 0.52 0.28 1.67 -1.35 -2.47 0.00 0.00 174.74 173.38 3i0r h PRO 97 N 6.27 0.31 -0.04 2.88 0.11 -1.97 0.55 132.00 140.11 3i0r h PRO 97 Ca -0.41 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.69 3i0r h PRO 97 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i0r h PRO 97 CO 0.67 0.21 0.34 0.00 -0.21 0.00 0.00 178.00 179.00 3i0r h ALA 98 N 1.79 1.41 -0.00 -0.75 0.00 -1.85 -0.70 119.26 119.16 3i0r h ALA 98 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3i0r h ALA 98 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3i0r h ALA 98 CO -0.60 -0.36 -0.80 0.41 0.00 0.00 0.00 179.25 177.90 3i0r n GLY 99 N -1.25 -0.63 3.73 0.00 0.00 0.19 -4.18 105.19 103.05 3i0r n GLY 99 Ca -0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3i0r n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i0r s LEU 100 N -2.78 4.40 0.04 0.99 1.43 -0.27 -4.72 118.68 117.76 3i0r s LEU 100 Ca 0.09 2.35 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 3i0r s LEU 100 Cb 0.15 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 3i0r s LEU 100 CO 0.72 -0.57 1.20 -0.54 0.23 0.00 0.00 176.35 177.39 3i0r s LYS 101 N 0.38 4.42 0.57 1.70 1.02 -1.26 -1.59 119.74 124.98 3i0r s LYS 101 Ca 0.60 1.75 -0.21 0.00 0.02 0.00 0.00 55.97 58.12 3i0r s LYS 101 Cb -0.36 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.52 3i0r s LYS 101 CO 0.35 -0.28 1.32 1.17 -0.92 0.00 0.00 175.35 176.98 3i0r n LYS 102 N 4.15 1.54 -4.12 1.68 4.81 -1.22 -4.89 118.16 120.11 3i0r n LYS 102 Ca 0.09 0.57 -0.16 0.00 -0.87 0.00 0.00 58.31 57.95 3i0r n LYS 102 Cb 0.46 -2.54 -0.12 0.00 0.02 0.00 0.00 35.03 32.86 3i0r n LYS 102 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3i0r s LYS 103 N -2.95 0.67 0.10 1.64 1.02 -1.26 -4.99 119.74 113.97 3i0r s LYS 103 Ca 0.74 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 55.57 3i0r s LYS 103 Cb -0.41 -0.55 -0.11 0.00 -0.52 0.00 0.00 37.83 36.24 3i0r s LYS 103 CO 0.48 0.11 1.61 0.87 -0.92 0.00 0.00 175.35 177.50 3i0r h LYS 104 N 4.38 -0.65 -3.42 1.68 1.57 -1.84 -3.44 116.57 114.85 3i0r h LYS 104 Ca -0.38 0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.24 3i0r h LYS 104 Cb 1.20 0.15 -0.27 0.00 0.08 0.00 0.00 32.23 33.38 3i0r h LYS 104 CO 0.41 -0.43 -0.58 0.45 -0.57 0.00 0.00 179.45 178.73 3i0r s SER 105 N -4.66 -0.13 -0.04 0.86 0.15 0.48 -5.00 113.70 105.36 3i0r s SER 105 Ca -0.16 0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.71 3i0r s SER 105 Cb 0.07 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 3i0r s SER 105 CO 0.63 -0.05 0.11 0.54 1.20 0.00 0.00 173.24 175.67 3i0r s VAL 106 N 0.16 -0.02 0.15 4.45 0.11 -1.26 -0.31 120.40 123.68 3i0r s VAL 106 Ca -0.01 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 3i0r s VAL 106 Cb -0.02 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3i0r s VAL 106 CO -0.00 0.03 -0.09 0.28 -3.33 0.00 0.00 175.10 171.99 3i0r s THR 107 N 0.46 1.13 -0.24 5.04 -1.32 0.78 -4.95 115.64 116.54 3i0r s THR 107 Ca -0.03 -2.05 -0.08 0.00 -1.21 0.00 0.00 61.69 58.31 3i0r s THR 107 Cb -0.05 -1.90 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 3i0r s THR 107 CO -0.02 -0.70 0.09 -0.69 -2.21 0.00 0.00 174.62 171.09 3i0r s VAL 108 N -3.35 4.57 -0.09 5.08 1.01 -1.26 -1.59 120.40 124.76 3i0r s VAL 108 Ca 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 3i0r s VAL 108 Cb 0.03 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3i0r s VAL 108 CO 0.01 0.34 -0.07 -0.76 0.00 0.00 0.00 175.10 174.63 3i0r s LEU 109 N 1.42 3.13 0.00 3.92 1.43 0.15 -4.49 118.68 124.24 3i0r s LEU 109 Ca 0.06 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3i0r s LEU 109 Cb -0.15 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3i0r s LEU 109 CO 0.05 0.31 0.03 -0.90 0.23 0.00 0.00 176.35 176.06 3i0r n ASP 110 N 2.61 2.65 -3.42 2.29 5.75 -1.26 0.27 116.55 125.43 3i0r n ASP 110 Ca -0.18 -2.77 -0.16 0.00 -0.01 0.00 0.00 54.79 51.67 3i0r n ASP 110 Cb 0.53 0.42 -0.10 0.00 -1.03 0.00 0.00 41.12 40.93 3i0r n ASP 110 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i0r s VAL 111 N -2.54 -0.41 0.31 2.12 1.01 -1.09 -4.24 120.40 115.56 3i0r s VAL 111 Ca 0.04 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 3i0r s VAL 111 Cb 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 3i0r s VAL 111 CO 0.03 -0.32 1.14 -0.83 0.00 0.00 0.00 175.10 175.11 3i0r s GLY 112 N 2.38 3.00 -0.99 4.51 0.00 -1.25 -3.14 107.32 111.83 3i0r s GLY 112 Ca 0.09 0.95 -0.04 0.00 0.00 0.00 0.00 44.72 45.71 3i0r s GLY 112 CO -0.23 1.53 0.59 1.22 0.00 0.00 0.00 173.10 176.21 3i0r n ASP 113 N 0.87 -4.79 0.00 1.64 8.00 -1.26 -4.77 116.55 116.24 3i0r n ASP 113 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3i0r n ASP 113 Cb 0.45 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 3i0r n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i0r n ALA 114 N -3.52 0.00 0.22 2.24 0.00 -1.19 -0.25 120.51 118.01 3i0r n ALA 114 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.46 3i0r n ALA 114 Cb 0.56 0.14 0.50 0.00 0.00 0.00 0.00 19.45 20.66 3i0r n ALA 114 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3i0r h TYR 115 N 0.00 0.00 -0.00 0.00 0.99 -1.92 -2.65 116.97 113.39 3i0r h TYR 115 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3i0r h TYR 115 Cb 0.00 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.73 3i0r h TYR 115 CO -0.03 0.21 -0.20 1.19 -0.00 0.00 0.00 178.16 179.33 3i0r n PHE 116 N -4.19 0.00 1.30 4.88 3.72 -0.32 -2.55 117.46 120.30 3i0r n PHE 116 Ca -0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 3i0r n PHE 116 Cb 0.27 -0.39 0.60 0.00 -0.94 0.00 0.00 39.48 39.02 3i0r n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3i0r n SER 117 N -1.49 0.30 -4.24 4.37 7.64 0.65 -4.81 113.62 116.04 3i0r n SER 117 Ca 0.07 -0.28 -0.31 0.00 1.01 0.00 0.00 58.87 59.36 3i0r n SER 117 Cb 0.34 -0.15 -0.16 0.00 -1.01 0.00 0.00 64.21 63.22 3i0r n SER 117 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i0r s VAL 118 N -2.63 1.97 0.99 0.44 0.11 -1.06 -2.74 120.40 117.47 3i0r s VAL 118 Ca 0.24 -1.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.17 3i0r s VAL 118 Cb 0.20 -1.67 0.18 0.00 -1.53 0.00 0.00 36.38 33.56 3i0r s VAL 118 CO 0.50 0.55 1.10 -2.16 -3.33 0.00 0.00 175.10 171.76 3i0r s PRO 119 N -0.07 0.48 -0.06 1.54 0.04 -1.26 -1.91 135.00 133.76 3i0r s PRO 119 Ca -0.06 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.22 3i0r s PRO 119 Cb -0.14 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.72 3i0r s PRO 119 CO 0.04 -2.89 -0.14 -1.17 0.04 0.00 0.00 177.00 172.88 3i0r s LEU 120 N -6.72 1.76 -0.16 -3.56 2.96 0.92 -4.52 118.68 109.36 3i0r s LEU 120 Ca 0.66 -0.33 -0.42 0.00 -0.22 0.00 0.00 54.13 53.83 3i0r s LEU 120 Cb -0.23 -0.89 -0.20 0.00 0.50 0.00 0.00 46.19 45.38 3i0r s LEU 120 CO 0.60 0.08 1.25 -0.67 -1.32 0.00 0.00 176.35 176.29 3i0r n ASP 121 N 3.58 0.45 0.25 3.68 2.03 -1.26 -4.78 116.55 120.49 3i0r n ASP 121 Ca -0.21 1.17 -0.16 0.00 0.52 0.00 0.00 54.79 56.11 3i0r n ASP 121 Cb 0.52 -0.92 -0.08 0.00 -0.72 0.00 0.00 41.12 39.92 3i0r n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3i0r h GLU 122 N 3.72 -0.56 0.00 -0.67 5.08 -1.95 -0.06 114.58 120.15 3i0r h GLU 122 Ca -0.49 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3i0r h GLU 122 Cb 1.41 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.79 3i0r h GLU 122 CO 0.76 -0.34 0.12 -0.25 -1.00 0.00 0.00 179.01 178.31 3i0r n ASP 123 N -5.31 0.00 -0.00 1.42 9.92 -1.26 -1.29 116.55 120.02 3i0r n ASP 123 Ca -0.11 0.30 -0.16 0.00 -0.53 0.00 0.00 54.79 54.29 3i0r n ASP 123 Cb 0.26 -0.30 -0.14 0.00 -0.64 0.00 0.00 41.12 40.30 3i0r n ASP 123 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3i0r h PHE 124 N 0.00 0.27 -0.96 1.24 3.57 -1.33 -3.39 116.94 116.34 3i0r h PHE 124 Ca 0.00 -0.20 0.25 0.00 3.53 0.00 0.00 57.97 61.55 3i0r h PHE 124 Cb 0.25 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3i0r h PHE 124 CO 0.00 1.43 0.65 0.00 -2.23 0.00 0.00 178.31 178.16 3i0r h ARG 125 N 0.04 0.24 -1.04 1.11 3.08 -1.10 0.31 114.38 117.02 3i0r h ARG 125 Ca -0.36 -0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.00 3i0r h ARG 125 Cb 2.03 -0.05 -0.14 0.00 0.08 0.00 0.00 29.97 31.88 3i0r h ARG 125 CO 0.09 0.16 0.61 1.57 -1.07 0.00 0.00 179.97 181.33 3i0r h LYS 126 N 0.25 0.33 0.00 0.04 2.10 -1.76 0.45 116.57 117.98 3i0r h LYS 126 Ca 0.50 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 3i0r h LYS 126 Cb 1.51 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 3i0r h LYS 126 CO -0.14 0.22 -0.15 0.66 -2.00 0.00 0.00 179.45 178.04 3i0r n TYR 127 N -4.95 0.21 1.60 0.07 4.02 0.11 -3.12 117.16 115.09 3i0r n TYR 127 Ca 0.31 0.06 0.01 0.00 -0.01 0.00 0.00 57.90 58.28 3i0r n TYR 127 Cb 0.99 -0.54 0.04 0.00 -0.02 0.00 0.00 39.34 39.81 3i0r n TYR 127 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3i0r n THR 128 N -1.68 0.15 -1.66 -0.72 -2.24 0.16 -4.66 114.28 103.63 3i0r n THR 128 Ca 0.06 -0.13 -0.48 0.00 -2.27 0.00 0.00 64.05 61.23 3i0r n THR 128 Cb 0.36 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 3i0r n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i0r n ALA 129 N -0.19 0.73 -2.35 6.98 0.00 -1.18 -4.39 120.51 120.10 3i0r n ALA 129 Ca 0.03 0.43 -0.18 0.00 0.00 0.00 0.00 53.44 53.72 3i0r n ALA 129 Cb 0.11 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.15 3i0r n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3i0r s PHE 130 N 1.52 1.63 -0.03 0.00 -0.71 -0.28 0.13 117.98 120.24 3i0r s PHE 130 Ca 0.83 -1.20 -0.01 0.00 -1.04 0.00 0.00 56.93 55.52 3i0r s PHE 130 Cb -0.76 -0.96 0.03 0.00 -1.21 0.00 0.00 43.02 40.12 3i0r s PHE 130 CO 0.44 -0.33 0.03 0.99 -1.34 0.00 0.00 175.22 175.01 3i0r s THR 131 N -3.62 -0.03 -0.30 -4.49 2.01 -1.26 -1.47 115.64 106.47 3i0r s THR 131 Ca 0.36 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 3i0r s THR 131 Cb 0.07 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.44 3i0r s THR 131 CO 0.15 0.13 0.83 -0.63 -0.69 0.00 0.00 174.62 174.41 3i0r s ILE 132 N 1.43 4.75 0.69 1.82 1.01 0.47 -4.71 121.20 126.66 3i0r s ILE 132 Ca -0.04 1.29 -0.11 0.00 0.00 0.00 0.00 60.65 61.78 3i0r s ILE 132 Cb -0.13 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.16 3i0r s ILE 132 CO -0.03 -0.27 1.07 -2.16 0.00 0.00 0.00 174.94 173.55 3i0r s PRO 133 N 3.05 2.96 0.13 2.79 0.04 -1.26 0.45 135.00 143.17 3i0r s PRO 133 Ca 0.34 0.68 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 3i0r s PRO 133 Cb -0.14 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 3i0r s PRO 133 CO 0.13 -1.01 0.60 -1.54 0.04 0.00 0.00 177.00 175.21 3i0r s SER 134 N -4.11 6.98 -0.38 6.66 1.04 -1.26 -4.79 113.70 117.84 3i0r s SER 134 Ca 0.58 1.23 -0.33 0.00 0.48 0.00 0.00 55.95 57.90 3i0r s SER 134 Cb -0.12 -2.35 -0.14 0.00 0.10 0.00 0.00 66.02 63.51 3i0r s SER 134 CO 0.54 0.16 1.60 -0.38 0.98 0.00 0.00 173.24 176.14 3i0r n ILE 135 N 1.15 0.00 -4.98 -1.02 5.41 -1.26 -4.14 119.36 114.53 3i0r n ILE 135 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3i0r n ILE 135 Cb 0.51 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 3i0r n ILE 135 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3i0r n ASN 136 N 5.58 -0.57 -0.09 4.38 5.15 -1.26 -3.87 115.26 124.57 3i0r n ASN 136 Ca 0.41 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.30 3i0r n ASN 136 Cb -0.03 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.21 3i0r n ASN 136 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 3i0r h ASN 137 N 7.25 0.33 -2.79 1.20 -0.00 -1.99 -3.47 115.58 116.11 3i0r h ASN 137 Ca 0.00 -0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.73 3i0r h ASN 137 Cb 0.00 -0.08 0.19 0.00 -0.00 0.00 0.00 38.32 38.43 3i0r h ASN 137 CO 0.00 0.24 -0.75 -0.62 -0.00 0.00 0.00 177.43 176.30 3i0r n GLU 138 N -4.89 0.19 -0.92 6.67 4.71 -1.25 -4.79 120.64 120.36 3i0r n GLU 138 Ca -0.01 0.09 0.11 0.00 -0.01 0.00 0.00 57.16 57.34 3i0r n GLU 138 Cb 0.04 -1.54 -0.06 0.00 -1.01 0.00 0.00 31.44 28.86 3i0r n GLU 138 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3i0r n THR 139 N -2.21 -0.61 -2.09 2.62 -1.04 -1.26 -4.29 114.28 105.40 3i0r n THR 139 Ca 0.08 0.61 -0.42 0.00 -2.04 0.00 0.00 64.05 62.29 3i0r n THR 139 Cb 0.50 -0.92 -0.03 0.00 -1.82 0.00 0.00 70.33 68.06 3i0r n THR 139 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3i0r s PRO 140 N -3.83 4.31 1.05 -2.82 0.02 -1.26 -4.60 135.00 127.86 3i0r s PRO 140 Ca 0.00 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.08 3i0r s PRO 140 Cb 0.00 -3.16 0.21 0.00 0.02 0.00 0.00 34.50 31.57 3i0r s PRO 140 CO 0.00 -0.40 1.10 0.20 -0.33 0.00 0.00 177.00 177.58 3i0r s GLY 141 N 0.57 1.57 0.01 0.52 0.00 -1.26 -4.52 107.32 104.21 3i0r s GLY 141 Ca 0.61 -0.54 -0.22 0.00 0.00 0.00 0.00 44.72 44.56 3i0r s GLY 141 CO 0.38 0.14 0.65 -0.42 0.00 0.00 0.00 173.10 173.85 3i0r s ILE 142 N -3.02 4.85 -0.03 0.90 1.01 0.17 -4.85 121.20 120.24 3i0r s ILE 142 Ca 0.67 1.36 0.02 0.00 0.00 0.00 0.00 60.65 62.70 3i0r s ILE 142 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3i0r s ILE 142 CO 0.57 0.41 -0.07 -0.13 0.00 0.00 0.00 174.94 175.71 3i0r s ARG 143 N -0.17 2.62 0.15 2.79 1.81 -1.26 -0.39 118.95 124.50 3i0r s ARG 143 Ca 0.33 -0.65 -0.09 0.00 -1.72 0.00 0.00 55.73 53.60 3i0r s ARG 143 Cb -0.19 -2.53 -0.01 0.00 -0.45 0.00 0.00 34.95 31.77 3i0r s ARG 143 CO 0.19 0.63 0.27 0.71 -0.68 0.00 0.00 175.30 176.41 3i0r s TYR 144 N -0.91 0.37 0.23 -0.53 2.02 -0.55 -1.81 117.35 116.17 3i0r s TYR 144 Ca 0.15 -0.74 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 3i0r s TYR 144 Cb -0.11 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.41 3i0r s TYR 144 CO 0.05 -0.69 0.58 1.14 -1.57 0.00 0.00 175.55 175.06 3i0r s GLN 145 N -3.95 1.53 0.14 -0.62 -2.07 -0.46 -1.13 119.66 113.10 3i0r s GLN 145 Ca 0.16 -0.95 -0.12 0.00 -1.82 0.00 0.00 55.36 52.63 3i0r s GLN 145 Cb 0.04 0.54 -0.07 0.00 -1.09 0.00 0.00 33.01 32.43 3i0r s GLN 145 CO -0.02 -0.67 0.50 0.71 -1.32 0.00 0.00 175.29 174.50 3i0r s TYR 146 N -3.91 3.56 -0.13 9.60 2.02 -1.26 -1.43 117.35 125.80 3i0r s TYR 146 Ca 0.12 0.93 0.05 0.00 -0.37 0.00 0.00 57.07 57.80 3i0r s TYR 146 Cb -0.02 -2.28 -0.12 0.00 -0.40 0.00 0.00 41.96 39.14 3i0r s TYR 146 CO 0.02 0.42 -0.05 0.09 -1.57 0.00 0.00 175.55 174.46 3i0r n ASN 147 N 0.62 2.51 -1.82 2.29 5.03 -0.22 -4.61 115.26 119.07 3i0r n ASN 147 Ca -0.05 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.36 3i0r n ASN 147 Cb 0.52 0.24 0.00 0.00 -1.02 0.00 0.00 39.78 39.52 3i0r n ASN 147 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 3i0r n VAL 148 N -2.70 0.00 -2.98 2.41 0.24 -1.20 -0.06 118.33 114.04 3i0r n VAL 148 Ca -0.23 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 3i0r n VAL 148 Cb 0.83 -1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.01 3i0r n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i0r s LEU 149 N 0.00 4.16 0.53 1.34 1.43 -0.80 -4.46 118.68 120.86 3i0r s LEU 149 Ca 0.00 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.22 3i0r s LEU 149 Cb 0.00 -2.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.17 3i0r s LEU 149 CO 0.00 -0.71 1.10 -2.84 0.23 0.00 0.00 176.35 174.12 3i0r s PRO 150 N 3.04 3.50 0.23 1.29 0.02 -1.26 -4.40 135.00 137.42 3i0r s PRO 150 Ca 0.30 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.54 3i0r s PRO 150 Cb -0.13 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 3i0r s PRO 150 CO 0.17 -0.71 1.30 -1.14 -0.33 0.00 0.00 177.00 176.28 3i0r s GLN 151 N -3.29 4.40 -0.61 5.54 2.00 -1.26 -3.32 119.66 123.12 3i0r s GLN 151 Ca 0.71 2.08 0.00 0.00 -2.00 0.00 0.00 55.36 56.14 3i0r s GLN 151 Cb -0.21 -3.16 0.00 0.00 0.80 0.00 0.00 33.01 30.43 3i0r s GLN 151 CO 0.25 -0.21 0.00 0.41 -0.50 0.00 0.00 175.29 175.24 3i0r n GLY 152 N 1.94 0.65 3.87 2.59 0.00 -1.26 -4.86 105.19 108.12 3i0r n GLY 152 Ca 0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 3i0r n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3i0r s TRP 153 N -2.24 3.35 0.18 1.61 -0.00 -1.21 -4.53 118.94 116.10 3i0r s TRP 153 Ca 0.00 0.10 -0.15 0.00 -0.00 0.00 0.00 56.10 56.05 3i0r s TRP 153 Cb 0.00 -1.64 0.14 0.00 -0.00 0.00 0.00 33.47 31.98 3i0r s TRP 153 CO 0.00 0.53 1.69 -0.22 -0.00 0.00 0.00 176.95 178.95 3i0r h LYS 154 N 2.59 0.10 -0.04 5.86 3.64 -1.92 -2.38 116.57 124.43 3i0r h LYS 154 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3i0r h LYS 154 Cb 1.18 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3i0r h LYS 154 CO 0.68 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.34 3i0r n GLY 155 N -1.30 -0.51 0.13 5.01 0.00 -1.26 -4.49 105.19 102.77 3i0r n GLY 155 Ca 0.04 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 3i0r n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i0r h SER 156 N 0.99 0.34 -0.85 1.61 0.02 -1.73 -2.37 113.55 111.57 3i0r h SER 156 Ca 0.00 -0.35 0.06 0.00 -0.84 0.00 0.00 61.79 60.65 3i0r h SER 156 Cb 0.21 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 3i0r h SER 156 CO 0.00 0.61 0.53 -0.65 -1.14 0.00 0.00 176.83 176.18 3i0r h PRO 157 N 0.06 0.95 0.39 3.45 0.11 -1.81 -0.20 132.00 134.96 3i0r h PRO 157 Ca 0.05 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3i0r h PRO 157 Cb 0.46 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3i0r h PRO 157 CO 0.02 0.63 -0.19 0.00 -0.21 0.00 0.00 178.00 178.24 3i0r h ALA 158 N 1.39 -0.60 -0.73 -0.75 0.00 -1.82 -2.37 119.26 114.38 3i0r h ALA 158 Ca 0.37 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.33 3i0r h ALA 158 Cb 0.14 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 3i0r h ALA 158 CO -0.16 -0.56 0.06 0.82 0.00 0.00 0.00 179.25 179.40 3i0r h ILE 159 N -0.98 0.40 -0.54 0.00 2.04 -1.49 0.45 117.51 117.38 3i0r h ILE 159 Ca -0.05 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3i0r h ILE 159 Cb 0.41 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3i0r h ILE 159 CO 0.09 0.03 0.24 0.15 0.00 0.00 0.00 178.15 178.66 3i0r h PHE 160 N 0.15 0.79 -0.01 1.37 3.57 -1.08 0.33 116.94 122.05 3i0r h PHE 160 Ca 0.41 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 3i0r h PHE 160 Cb 0.71 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3i0r h PHE 160 CO -0.37 0.63 -0.50 0.37 -2.23 0.00 0.00 178.31 176.21 3i0r h GLN 161 N 0.72 0.04 -0.37 1.11 4.15 -0.72 -1.00 115.11 119.04 3i0r h GLN 161 Ca 0.18 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 3i0r h GLN 161 Cb 0.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3i0r h GLN 161 CO -0.02 0.53 -0.08 1.03 -1.93 0.00 0.00 178.83 178.36 3i0r h SER 162 N 0.03 0.70 0.44 -0.69 0.87 0.45 -2.30 113.55 113.05 3i0r h SER 162 Ca -0.00 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 3i0r h SER 162 Cb 0.89 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3i0r h SER 162 CO 0.07 0.90 -0.21 0.28 -0.53 0.00 0.00 176.83 177.33 3i0r h SER 163 N 0.50 -0.50 -1.31 6.23 0.02 -0.60 -0.96 113.55 116.93 3i0r h SER 163 Ca 0.09 -0.07 0.41 0.00 -0.84 0.00 0.00 61.79 61.39 3i0r h SER 163 Cb 0.58 0.13 -0.12 0.00 0.14 0.00 0.00 62.40 63.13 3i0r h SER 163 CO 0.03 -0.22 0.85 -0.03 -1.14 0.00 0.00 176.83 176.32 3i0r h MET 164 N -0.78 0.12 0.01 3.45 -1.53 -1.18 0.95 114.93 115.96 3i0r h MET 164 Ca -0.06 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.17 3i0r h MET 164 Cb 0.54 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 3i0r h MET 164 CO 0.10 0.08 -0.09 1.15 0.14 0.00 0.00 176.91 178.29 3i0r h THR 165 N 0.12 1.67 -0.39 -0.77 2.02 -0.71 -2.06 112.91 112.80 3i0r h THR 165 Ca 0.78 -2.10 0.08 0.00 0.77 0.00 0.00 66.41 65.95 3i0r h THR 165 Cb 2.47 3.08 -0.08 0.00 -1.74 0.00 0.00 68.15 71.88 3i0r h THR 165 CO -0.37 0.55 -0.15 0.50 0.37 0.00 0.00 175.52 176.43 3i0r h LYS 166 N -0.80 -0.06 0.28 6.66 1.63 -0.23 -1.40 116.57 122.64 3i0r h LYS 166 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3i0r h LYS 166 Cb 0.95 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.56 3i0r h LYS 166 CO 0.02 -0.04 -0.49 0.82 -3.45 0.00 0.00 179.45 176.30 3i0r h ILE 167 N -0.07 0.05 -0.21 2.00 2.04 -0.89 -2.90 117.51 117.53 3i0r h ILE 167 Ca 0.19 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.09 3i0r h ILE 167 Cb 0.36 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3i0r h ILE 167 CO -0.44 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 177.79 3i0r h LEU 168 N -0.83 0.08 -0.38 1.44 3.38 -1.11 -3.31 115.31 114.57 3i0r h LEU 168 Ca -0.02 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3i0r h LEU 168 Cb 0.79 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3i0r h LEU 168 CO -0.19 0.05 -0.22 1.21 0.09 0.00 0.00 178.44 179.38 3i0r n GLU 169 N -4.49 -0.17 0.00 1.13 2.13 -0.55 -1.21 120.64 117.48 3i0r n GLU 169 Ca 0.01 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.79 3i0r n GLU 169 Cb 0.22 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.51 3i0r n GLU 169 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3i0r n PRO 170 N -3.85 0.00 -0.03 5.31 -0.04 -1.25 -2.01 135.00 133.13 3i0r n PRO 170 Ca 0.01 0.70 0.18 0.00 -0.04 0.00 0.00 63.50 64.35 3i0r n PRO 170 Cb 0.10 -1.46 0.27 0.00 -0.04 0.00 0.00 33.50 32.37 3i0r n PRO 170 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i0r n PHE 171 N -2.35 0.00 0.07 0.54 -0.00 -0.35 0.22 117.46 115.59 3i0r n PHE 171 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.39 3i0r n PHE 171 Cb 0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.48 39.28 3i0r n PHE 171 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i0r h ARG 172 N 0.00 -0.26 -0.85 -4.13 3.08 -0.69 -3.24 114.38 108.30 3i0r h ARG 172 Ca 0.31 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.53 3i0r h ARG 172 Cb 2.50 0.06 -0.14 0.00 0.08 0.00 0.00 29.97 32.47 3i0r h ARG 172 CO -0.00 -0.08 -0.29 1.63 -1.07 0.00 0.00 179.97 180.15 3i0r n LYS 173 N -4.95 -0.16 -0.30 0.04 4.01 0.59 0.22 118.16 117.61 3i0r n LYS 173 Ca -0.04 1.31 -0.05 0.00 -0.51 0.00 0.00 58.31 59.02 3i0r n LYS 173 Cb 0.15 -1.94 0.06 0.00 -0.51 0.00 0.00 35.03 32.79 3i0r n LYS 173 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i0r n GLN 174 N -5.29 1.48 -2.70 1.97 0.00 -1.00 -4.16 117.38 107.68 3i0r n GLN 174 Ca 0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 57.00 56.25 3i0r n GLN 174 Cb 0.37 -1.39 0.10 0.00 0.00 0.00 0.00 30.24 29.31 3i0r n GLN 174 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3i0r n ASN 175 N 0.09 -1.81 -0.35 2.61 5.03 0.58 -5.01 115.26 116.40 3i0r n ASN 175 Ca 0.14 -2.71 -0.03 0.00 0.87 0.00 0.00 54.58 52.85 3i0r n ASN 175 Cb 0.74 1.49 0.10 0.00 -1.02 0.00 0.00 39.78 41.09 3i0r n ASN 175 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3i0r h PRO 176 N 2.73 1.22 0.00 3.52 0.11 -1.69 -2.19 132.00 135.70 3i0r h PRO 176 Ca -0.21 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3i0r h PRO 176 Cb 1.15 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3i0r h PRO 176 CO 0.06 0.81 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 3i0r n ASP 177 N -4.44 0.00 -4.21 -2.05 9.92 -1.26 -4.59 116.55 109.91 3i0r n ASP 177 Ca 0.11 -0.01 -0.29 0.00 -0.53 0.00 0.00 54.79 54.06 3i0r n ASP 177 Cb 0.02 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.34 3i0r n ASP 177 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3i0r s ILE 178 N -2.00 1.81 -0.10 0.53 1.01 -0.83 -4.53 121.20 117.09 3i0r s ILE 178 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3i0r s ILE 178 Cb 0.00 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3i0r s ILE 178 CO 0.00 0.51 -0.21 0.54 0.00 0.00 0.00 174.94 175.79 3i0r s VAL 179 N -0.08 2.39 -0.18 2.92 0.11 -0.71 -4.99 120.40 119.87 3i0r s VAL 179 Ca -0.04 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 3i0r s VAL 179 Cb -0.13 -1.94 0.01 0.00 -1.53 0.00 0.00 36.38 32.79 3i0r s VAL 179 CO 0.03 0.55 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.55 3i0r s ILE 180 N 0.24 2.33 -0.34 7.04 1.01 -1.26 -1.49 121.20 128.73 3i0r s ILE 180 Ca -0.14 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.54 3i0r s ILE 180 Cb -0.17 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3i0r s ILE 180 CO 0.07 0.52 0.21 -0.47 0.00 0.00 0.00 174.94 175.27 3i0r s TYR 181 N 1.22 3.21 -0.10 3.97 5.04 0.26 -4.94 117.35 126.01 3i0r s TYR 181 Ca 0.03 -0.43 -0.30 0.00 -2.44 0.00 0.00 57.07 53.93 3i0r s TYR 181 Cb -0.14 -2.44 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 3i0r s TYR 181 CO -0.09 -0.44 1.08 -0.65 -1.34 0.00 0.00 175.55 174.11 3i0r s GLN 182 N 1.67 4.38 -0.14 4.97 -0.21 -1.26 -1.58 119.66 127.48 3i0r s GLN 182 Ca 0.05 1.49 -0.04 0.00 0.02 0.00 0.00 55.36 56.88 3i0r s GLN 182 Cb -0.18 -3.56 0.07 0.00 1.00 0.00 0.00 33.01 30.34 3i0r s GLN 182 CO 0.09 -0.40 0.22 -0.47 -2.12 0.00 0.00 175.29 172.61 3i0r s TYR 183 N 2.24 -0.31 0.00 0.91 5.04 -0.09 -4.97 117.35 120.16 3i0r s TYR 183 Ca 0.51 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 3i0r s TYR 183 Cb -0.20 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.90 3i0r s TYR 183 CO 0.18 -0.42 0.00 -1.33 -1.34 0.00 0.00 175.55 172.64 3i0r n MET 184 N 5.33 0.00 -2.28 4.97 2.81 -1.26 0.39 117.12 127.08 3i0r n MET 184 Ca -0.05 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.62 3i0r n MET 184 Cb 0.50 0.00 0.02 0.00 -0.71 0.00 0.00 33.22 33.02 3i0r n MET 184 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3i0r n ASP 185 N 7.90 4.28 -4.43 7.83 5.68 -1.26 -4.96 116.55 131.60 3i0r n ASP 185 Ca 0.00 -3.49 -0.25 0.00 -0.50 0.00 0.00 54.79 50.55 3i0r n ASP 185 Cb 0.00 -0.40 -0.11 0.00 -1.14 0.00 0.00 41.12 39.47 3i0r n ASP 185 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3i0r s ASP 186 N -3.58 3.38 -0.12 -1.12 1.01 0.16 -2.68 116.67 113.73 3i0r s ASP 186 Ca 0.46 -0.92 -0.00 0.00 0.71 0.00 0.00 52.55 52.80 3i0r s ASP 186 Cb 0.40 -0.25 0.03 0.00 1.01 0.00 0.00 42.92 44.10 3i0r s ASP 186 CO -0.04 0.08 -0.08 -0.76 0.21 0.00 0.00 175.17 174.58 3i0r s LEU 187 N -2.93 1.27 -0.24 1.23 1.43 0.77 -0.92 118.68 119.29 3i0r s LEU 187 Ca 0.23 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 3i0r s LEU 187 Cb -0.07 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 3i0r s LEU 187 CO 0.11 -0.12 0.15 -0.31 0.23 0.00 0.00 176.35 176.41 3i0r s TYR 188 N 1.68 3.28 -0.04 0.29 1.51 -0.61 0.34 117.35 123.80 3i0r s TYR 188 Ca 0.05 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 3i0r s TYR 188 Cb -0.13 -2.27 0.01 0.00 -0.11 0.00 0.00 41.96 39.45 3i0r s TYR 188 CO -0.08 0.01 -0.10 0.08 -1.11 0.00 0.00 175.55 174.35 3i0r s VAL 189 N 1.17 0.86 0.03 0.71 1.01 -0.62 0.90 120.40 124.46 3i0r s VAL 189 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3i0r s VAL 189 Cb -0.14 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3i0r s VAL 189 CO 0.05 0.28 0.12 -0.83 0.00 0.00 0.00 175.10 174.72 3i0r s GLY 190 N 0.39 0.11 0.23 4.51 0.00 -0.56 -0.15 107.32 111.85 3i0r s GLY 190 Ca -0.07 -0.39 -0.15 0.00 0.00 0.00 0.00 44.72 44.12 3i0r s GLY 190 CO 0.01 -0.53 0.50 -1.35 0.00 0.00 0.00 173.10 171.74 3i0r s SER 191 N -1.90 -0.14 -0.79 1.64 1.04 0.58 -1.74 113.70 112.38 3i0r s SER 191 Ca -0.08 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 55.59 3i0r s SER 191 Cb -0.03 0.59 0.32 0.00 0.10 0.00 0.00 66.02 67.00 3i0r s SER 191 CO -0.03 -1.13 1.32 0.47 0.98 0.00 0.00 173.24 174.86 3i0r n ASP 192 N -0.37 5.72 -4.36 7.02 9.92 -1.26 -0.38 116.55 132.84 3i0r n ASP 192 Ca -0.04 -3.66 -0.25 0.00 -0.53 0.00 0.00 54.79 50.30 3i0r n ASP 192 Cb 0.62 -0.85 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 3i0r n ASP 192 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3i0r s LEU 193 N -3.72 2.37 0.33 0.64 1.43 -1.26 -4.90 118.68 113.56 3i0r s LEU 193 Ca 0.43 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 3i0r s LEU 193 Cb 0.22 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 45.32 3i0r s LEU 193 CO -0.11 0.08 1.26 -1.61 0.23 0.00 0.00 176.35 176.20 3i0r s GLU 194 N -2.34 4.39 0.00 1.70 8.01 -1.26 -4.64 118.70 124.55 3i0r s GLU 194 Ca 0.14 2.11 0.00 0.00 0.01 0.00 0.00 54.97 57.23 3i0r s GLU 194 Cb -0.08 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 26.67 3i0r s GLU 194 CO 0.07 -0.12 0.00 -0.89 0.01 0.00 0.00 175.26 174.32 3i0r n ILE 195 N 0.82 0.00 0.00 -1.63 5.41 -1.26 -2.79 119.36 119.91 3i0r n ILE 195 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i0r n ILE 195 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 3i0r n ILE 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i0r n GLY 196 N -0.90 -1.92 0.00 7.39 0.00 -1.26 -3.51 105.19 104.98 3i0r n GLY 196 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i0r n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i0r n GLN 197 N 0.00 0.00 0.00 1.61 0.00 -1.12 -1.77 117.38 116.10 3i0r n GLN 197 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 57.00 57.20 3i0r n GLN 197 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 28.70 3i0r n GLN 197 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 3i0r n HIS 198 N -1.16 0.00 -0.29 2.61 -0.00 -1.23 0.13 115.22 115.28 3i0r n HIS 198 Ca 0.00 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.35 3i0r n HIS 198 Cb 0.04 -0.42 0.44 0.00 -0.12 0.00 0.00 29.99 29.93 3i0r n HIS 198 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i0r h ARG 199 N 0.00 0.53 0.29 1.57 3.08 -1.39 1.20 114.38 119.66 3i0r h ARG 199 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3i0r h ARG 199 Cb 0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3i0r h ARG 199 CO 0.00 0.35 -0.42 1.15 -1.07 0.00 0.00 179.97 179.98 3i0r h THR 200 N 0.54 0.00 -0.82 2.04 2.02 -1.49 0.10 112.91 115.31 3i0r h THR 200 Ca 0.52 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.82 3i0r h THR 200 Cb 1.10 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.43 3i0r h THR 200 CO -0.26 0.00 0.44 0.50 0.37 0.00 0.00 175.52 176.57 3i0r h LYS 201 N -0.74 0.68 0.28 6.66 1.63 0.76 0.76 116.57 126.60 3i0r h LYS 201 Ca -0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3i0r h LYS 201 Cb 0.67 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 3i0r h LYS 201 CO -0.12 0.45 -0.52 0.82 -3.45 0.00 0.00 179.45 176.63 3i0r h ILE 202 N 0.70 0.00 -0.30 2.00 2.04 0.13 -0.30 117.51 121.77 3i0r h ILE 202 Ca 0.41 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.34 3i0r h ILE 202 Cb 0.47 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 3i0r h ILE 202 CO -0.29 0.00 -0.19 -0.33 0.00 0.00 0.00 178.15 177.34 3i0r h GLU 203 N -0.86 -0.15 0.00 2.37 4.39 0.59 1.22 114.58 122.14 3i0r h GLU 203 Ca -0.03 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i0r h GLU 203 Cb 0.81 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3i0r h GLU 203 CO -0.20 -0.10 0.41 1.49 -1.16 0.00 0.00 179.01 179.45 3i0r h GLU 204 N -0.15 0.00 0.00 2.33 4.81 0.73 0.51 114.58 122.80 3i0r h GLU 204 Ca 0.16 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3i0r h GLU 204 Cb 0.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3i0r h GLU 204 CO -0.40 0.00 -0.51 1.25 -0.73 0.00 0.00 179.01 178.63 3i0r h LEU 205 N 0.00 0.00 -1.39 1.64 7.12 0.31 -2.91 115.31 120.08 3i0r h LEU 205 Ca 0.00 -0.13 0.45 0.00 0.13 0.00 0.00 57.88 58.33 3i0r h LEU 205 Cb 0.82 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.81 3i0r h LEU 205 CO 0.00 0.83 0.86 0.03 -0.13 0.00 0.00 178.44 180.03 3i0r h ARG 206 N -1.00 0.06 0.16 1.25 3.08 -0.01 1.09 114.38 119.01 3i0r h ARG 206 Ca -0.06 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3i0r h ARG 206 Cb 0.56 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3i0r h ARG 206 CO -0.03 0.04 -0.08 0.37 -1.07 0.00 0.00 179.97 179.20 3i0r h GLN 207 N 0.06 -0.21 -0.97 0.04 5.75 -1.05 0.37 115.11 119.10 3i0r h GLN 207 Ca 0.84 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 59.55 3i0r h GLN 207 Cb 2.64 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 31.13 3i0r h GLN 207 CO -0.44 0.15 0.56 1.25 -2.65 0.00 0.00 178.83 177.70 3i0r h HIS 208 N -0.62 0.97 -0.31 3.99 2.76 0.12 0.53 115.15 122.60 3i0r h HIS 208 Ca -0.02 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.06 3i0r h HIS 208 Cb 0.46 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3i0r h HIS 208 CO 0.05 0.17 -0.30 -0.07 -1.30 0.00 0.00 177.93 176.48 3i0r h LEU 209 N 0.67 0.67 0.35 0.26 3.38 -0.28 -3.08 115.31 117.29 3i0r h LEU 209 Ca 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 3i0r h LEU 209 Cb 0.93 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3i0r h LEU 209 CO -0.41 0.93 -0.17 -0.07 0.09 0.00 0.00 178.44 178.81 3i0r h LEU 210 N 0.55 -0.40 0.00 1.67 3.38 0.22 0.97 115.31 121.70 3i0r h LEU 210 Ca 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i0r h LEU 210 Cb 0.79 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3i0r h LEU 210 CO 0.06 -0.17 0.01 -1.14 0.09 0.00 0.00 178.44 177.29 3i0r n ARG 211 N -5.23 0.00 0.00 1.13 0.00 -0.10 0.08 116.66 112.53 3i0r n ARG 211 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 3i0r n ARG 211 Cb 0.24 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.20 3i0r n ARG 211 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3i0r n TRP 212 N -0.70 0.00 -0.84 -0.14 7.02 -0.87 -4.83 117.44 117.07 3i0r n TRP 212 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3i0r n TRP 212 Cb 0.01 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 3i0r n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i0r n GLY 213 N 0.01 1.04 3.03 6.99 0.00 0.11 -3.27 105.19 113.10 3i0r n GLY 213 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3i0r n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i0r s LEU 214 N 0.00 2.41 0.01 0.99 1.43 0.28 -4.34 118.68 119.46 3i0r s LEU 214 Ca 0.00 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 3i0r s LEU 214 Cb 0.00 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 3i0r s LEU 214 CO 0.00 -0.12 -0.09 0.42 0.23 0.00 0.00 176.35 176.79 3i0r s THR 215 N 1.34 3.50 0.18 5.49 -4.23 -1.26 -2.75 115.64 117.92 3i0r s THR 215 Ca -0.01 -0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 3i0r s THR 215 Cb -0.16 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.17 3i0r s THR 215 CO -0.09 0.39 0.42 0.42 -0.54 0.00 0.00 174.62 175.23 3i0r s THR 216 N -0.98 0.04 0.69 3.99 -4.23 -1.26 -3.84 115.64 110.04 3i0r s THR 216 Ca 0.17 -1.05 -0.17 0.00 -1.18 0.00 0.00 61.69 59.46 3i0r s THR 216 Cb -0.11 -1.71 0.01 0.00 1.34 0.00 0.00 72.50 72.04 3i0r s THR 216 CO 0.07 -0.19 1.25 -2.16 -0.54 0.00 0.00 174.62 173.05 3i0r s PRO 217 N -3.92 2.34 0.28 3.99 0.04 -1.26 -5.05 135.00 131.42 3i0r s PRO 217 Ca 0.13 1.91 0.11 0.00 0.04 0.00 0.00 61.00 63.18 3i0r s PRO 217 Cb 0.01 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 3i0r s PRO 217 CO -0.01 -1.72 -0.10 0.16 0.04 0.00 0.00 177.00 175.37 3i0r s ASP 218 N -1.71 4.05 0.21 6.66 3.84 -1.26 -4.86 116.67 123.60 3i0r s ASP 218 Ca 0.78 -0.86 -0.22 0.00 -0.00 0.00 0.00 52.55 52.26 3i0r s ASP 218 Cb -0.33 -0.56 -0.14 0.00 -1.38 0.00 0.00 42.92 40.51 3i0r s ASP 218 CO 0.42 0.00 0.33 1.17 -0.00 0.00 0.00 175.17 177.10 3i0r n LYS 219 N -0.77 0.00 -0.26 2.11 3.00 -1.26 0.10 118.16 121.08 3i0r n LYS 219 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 3i0r n LYS 219 Cb 0.60 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.80 3i0r n LYS 219 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i0r n LYS 220 N 0.90 0.00 -0.02 1.64 0.00 -1.26 -4.81 118.16 114.60 3i0r n LYS 220 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.42 3i0r n LYS 220 Cb 0.24 -1.28 -0.03 0.00 0.00 0.00 0.00 35.03 33.96 3i0r n LYS 220 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3i0r n HIS 221 N -2.00 0.00 -2.62 5.64 8.25 0.12 -5.06 115.22 119.55 3i0r n HIS 221 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3i0r n HIS 221 Cb 0.00 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 3i0r n HIS 221 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3i0r s GLN 222 N -2.09 4.17 1.11 -0.41 -2.07 -1.25 -4.95 119.66 114.17 3i0r s GLN 222 Ca -0.02 1.40 -0.13 0.00 -1.82 0.00 0.00 55.36 54.79 3i0r s GLN 222 Cb 0.01 -2.44 0.25 0.00 -1.09 0.00 0.00 33.01 29.75 3i0r s GLN 222 CO 0.15 -0.12 1.05 0.15 -1.32 0.00 0.00 175.29 175.21 3i0r s LYS 223 N -2.68 -0.48 0.06 9.60 1.02 -1.26 -5.01 119.74 120.99 3i0r s LYS 223 Ca 0.59 0.64 0.09 0.00 0.02 0.00 0.00 55.97 57.31 3i0r s LYS 223 Cb -0.18 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 3i0r s LYS 223 CO 0.23 -3.38 -0.24 -1.21 -0.92 0.00 0.00 175.35 169.84 3i0r s GLU 224 N -4.69 1.81 0.29 1.68 2.02 -1.26 -4.69 118.70 113.87 3i0r s GLU 224 Ca 0.67 -1.12 -0.27 0.00 0.02 0.00 0.00 54.97 54.28 3i0r s GLU 224 Cb -0.22 -2.04 -0.14 0.00 0.10 0.00 0.00 34.13 31.83 3i0r s GLU 224 CO 0.62 0.51 0.82 -2.30 0.02 0.00 0.00 175.26 174.92 3i0r n PRO 225 N 1.51 0.90 -2.72 0.39 -0.02 -1.26 -4.34 135.00 129.46 3i0r n PRO 225 Ca -0.17 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 3i0r n PRO 225 Cb 0.52 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 3i0r n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i0r s PRO 226 N -1.44 4.55 -0.13 0.52 0.04 -1.26 -5.05 135.00 132.23 3i0r s PRO 226 Ca 0.61 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 3i0r s PRO 226 Cb -0.74 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 3i0r s PRO 226 CO 0.59 -0.06 1.15 -0.06 0.04 0.00 0.00 177.00 178.66 3i0r s PHE 227 N 1.05 3.18 0.19 0.56 0.08 -1.04 -4.72 117.98 117.27 3i0r s PHE 227 Ca 0.51 1.27 -0.30 0.00 0.12 0.00 0.00 56.93 58.53 3i0r s PHE 227 Cb -0.21 -3.38 -0.08 0.00 -0.57 0.00 0.00 43.02 38.79 3i0r s PHE 227 CO 0.27 -1.08 1.17 -0.51 -0.10 0.00 0.00 175.22 174.97 3i0r s LEU 228 N 2.72 4.47 -0.30 -0.37 2.01 -1.26 -1.67 118.68 124.27 3i0r s LEU 228 Ca 0.52 2.20 -0.10 0.00 0.01 0.00 0.00 54.13 56.76 3i0r s LEU 228 Cb -0.21 -3.61 0.15 0.00 0.01 0.00 0.00 46.19 42.54 3i0r s LEU 228 CO 0.16 -0.32 0.75 0.86 1.01 0.00 0.00 176.35 178.81 3i0r s TRP 229 N -0.18 -1.19 -2.12 0.29 -0.00 -1.01 -4.95 118.94 109.79 3i0r s TRP 229 Ca 0.51 1.84 0.00 0.00 -0.00 0.00 0.00 56.10 58.45 3i0r s TRP 229 Cb -0.32 0.63 0.00 0.00 -0.00 0.00 0.00 33.47 33.78 3i0r s TRP 229 CO 0.37 -0.61 0.00 -0.12 -0.00 0.00 0.00 176.95 176.59 3i0r n MET 230 N 5.33 -1.46 0.00 5.86 1.56 -1.26 -1.38 117.12 125.78 3i0r n MET 230 Ca -0.09 1.18 0.00 0.00 -0.27 0.00 0.00 57.70 58.52 3i0r n MET 230 Cb 0.50 -5.57 0.00 0.00 2.15 0.00 0.00 33.22 30.30 3i0r n MET 230 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3i0r n GLY 231 N -0.41 0.51 3.98 -5.12 0.00 -1.26 -5.07 105.19 97.82 3i0r n GLY 231 Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3i0r n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i0r s TYR 232 N -2.00 2.13 -0.18 1.61 2.02 -0.48 -0.38 117.35 120.08 3i0r s TYR 232 Ca 0.00 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 56.10 3i0r s TYR 232 Cb 0.00 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.39 3i0r s TYR 232 CO 0.00 -0.63 -0.06 -2.00 -1.57 0.00 0.00 175.55 171.29 3i0r s GLU 233 N -4.41 1.58 -0.38 -0.62 2.12 0.23 -2.41 118.70 114.82 3i0r s GLU 233 Ca 0.53 -0.61 -0.05 0.00 0.36 0.00 0.00 54.97 55.20 3i0r s GLU 233 Cb -0.06 -2.12 0.08 0.00 0.26 0.00 0.00 34.13 32.28 3i0r s GLU 233 CO 0.32 -0.44 0.16 -0.51 -0.54 0.00 0.00 175.26 174.26 3i0r s LEU 234 N 1.57 4.78 0.52 2.70 1.43 -0.67 -0.99 118.68 128.03 3i0r s LEU 234 Ca 0.00 -1.56 0.02 0.00 -1.03 0.00 0.00 54.13 51.56 3i0r s LEU 234 Cb -0.16 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.23 3i0r s LEU 234 CO -0.08 -0.45 0.73 -1.00 0.23 0.00 0.00 176.35 175.79 3i0r s HIS 235 N 1.30 2.86 0.24 0.29 3.76 -0.95 -2.50 115.29 120.27 3i0r s HIS 235 Ca 0.02 -0.08 -0.05 0.00 -0.15 0.00 0.00 55.06 54.80 3i0r s HIS 235 Cb -0.22 -2.68 0.41 0.00 1.11 0.00 0.00 32.58 31.20 3i0r s HIS 235 CO -0.00 -0.78 1.77 -1.00 -0.85 0.00 0.00 174.74 173.87 3i0r h PRO 236 N 0.18 0.57 0.00 8.40 0.13 -1.96 -3.34 132.00 135.98 3i0r h PRO 236 Ca -0.42 -0.03 -0.41 0.00 -0.87 0.00 0.00 66.00 64.27 3i0r h PRO 236 Cb 1.29 -0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3i0r h PRO 236 CO 0.51 0.38 -2.49 -0.25 -0.23 0.00 0.00 178.00 175.92 3i0r n ASP 237 N -4.88 1.98 -2.20 1.44 8.00 -1.26 -4.79 116.55 114.84 3i0r n ASP 237 Ca 0.13 -0.03 -0.02 0.00 0.71 0.00 0.00 54.79 55.57 3i0r n ASP 237 Cb 0.34 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3i0r n ASP 237 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3i0r n LYS 238 N -3.47 1.75 -4.08 -1.24 2.85 -1.25 -4.22 118.16 108.49 3i0r n LYS 238 Ca -0.48 -0.26 -0.11 0.00 -1.05 0.00 0.00 58.31 56.41 3i0r n LYS 238 Cb 0.97 0.06 -0.07 0.00 -0.65 0.00 0.00 35.03 35.33 3i0r n LYS 238 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 177.40 179.02 3i0r s TRP 239 N -0.80 0.73 0.10 5.58 1.48 0.74 -2.25 118.94 124.52 3i0r s TRP 239 Ca 0.01 -1.03 -0.27 0.00 -1.06 0.00 0.00 56.10 53.76 3i0r s TRP 239 Cb -0.00 -0.11 0.08 0.00 -1.16 0.00 0.00 33.47 32.28 3i0r s TRP 239 CO 0.00 -0.89 1.01 -0.08 -4.06 0.00 0.00 176.95 172.93 3i0r s THR 240 N -3.94 0.00 0.81 0.66 -1.32 -0.16 0.61 115.64 112.30 3i0r s THR 240 Ca 0.29 -0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 60.18 3i0r s THR 240 Cb 0.02 -1.82 0.08 0.00 -1.51 0.00 0.00 72.50 69.26 3i0r s THR 240 CO 0.12 0.00 1.09 0.68 -2.21 0.00 0.00 174.62 174.29 3i0r s VAL 241 N -3.11 3.15 0.46 5.08 -7.23 -1.26 0.74 120.40 118.23 3i0r s VAL 241 Ca 0.11 0.37 -0.20 0.00 -1.81 0.00 0.00 61.98 60.46 3i0r s VAL 241 Cb -0.00 -2.96 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 3i0r s VAL 241 CO -0.01 -0.49 0.98 -1.10 -0.31 0.00 0.00 175.10 174.18 3i0r s GLN 242 N -4.99 4.04 -0.16 4.82 -0.21 0.49 -4.46 119.66 119.18 3i0r s GLN 242 Ca 0.61 1.16 -0.15 0.00 0.02 0.00 0.00 55.36 57.00 3i0r s GLN 242 Cb -0.16 -2.15 -0.06 0.00 1.00 0.00 0.00 33.01 31.64 3i0r s GLN 242 CO 0.56 -0.20 0.51 -2.30 -2.12 0.00 0.00 175.29 171.74 3i0r n PRO 243 N -0.92 0.00 -3.96 2.91 -0.02 -1.26 -4.91 135.00 126.84 3i0r n PRO 243 Ca 0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 3i0r n PRO 243 Cb 0.54 -0.48 -0.13 0.00 -0.02 0.00 0.00 33.50 33.41 3i0r n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i0r s ILE 244 N 0.96 3.90 -0.54 4.25 1.01 -1.26 -5.08 121.20 124.44 3i0r s ILE 244 Ca 0.34 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 3i0r s ILE 244 Cb -0.48 -2.78 0.14 0.00 0.01 0.00 0.00 42.46 39.35 3i0r s ILE 244 CO 0.26 0.41 0.35 0.54 0.00 0.00 0.00 174.94 176.50 3i0r s VAL 245 N 1.26 3.66 -0.92 2.92 0.11 -1.26 -5.03 120.40 121.13 3i0r s VAL 245 Ca 0.04 -2.50 -0.24 0.00 -2.93 0.00 0.00 61.98 56.34 3i0r s VAL 245 Cb -0.15 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 31.31 3i0r s VAL 245 CO 0.01 -0.80 1.46 -0.76 -3.33 0.00 0.00 175.10 171.68 3i0r s LEU 246 N 0.52 3.38 0.91 2.54 1.43 -1.26 -4.99 118.68 121.21 3i0r s LEU 246 Ca 0.13 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 3i0r s LEU 246 Cb -0.21 -2.57 0.08 0.00 0.03 0.00 0.00 46.19 43.52 3i0r s LEU 246 CO -0.04 -1.73 0.74 -0.81 0.23 0.00 0.00 176.35 174.74 3i0r n PRO 247 N 9.02 -0.28 -3.54 1.29 -0.04 -1.26 -4.99 135.00 135.20 3i0r n PRO 247 Ca 0.25 -0.03 -0.37 0.00 -0.04 0.00 0.00 63.50 63.32 3i0r n PRO 247 Cb 0.50 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 3i0r n PRO 247 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3i0r s GLU 248 N -3.97 4.18 0.15 0.54 1.03 -1.26 -5.08 118.70 114.28 3i0r s GLU 248 Ca 0.62 0.01 -0.04 0.00 0.03 0.00 0.00 54.97 55.59 3i0r s GLU 248 Cb -0.23 -3.48 -0.03 0.00 -0.80 0.00 0.00 34.13 29.59 3i0r s GLU 248 CO 0.62 0.12 0.15 -1.59 -1.33 0.00 0.00 175.26 173.24 3i0r s LYS 249 N 0.84 1.03 -0.15 -4.83 -2.85 -1.26 -5.05 119.74 107.46 3i0r s LYS 249 Ca 0.14 -1.35 -0.22 0.00 -1.00 0.00 0.00 55.97 53.54 3i0r s LYS 249 Cb -0.13 0.30 -0.24 0.00 -2.06 0.00 0.00 37.83 35.69 3i0r s LYS 249 CO 0.04 -0.33 0.51 -0.44 0.10 0.00 0.00 175.35 175.23 3i0r h ASP 250 N 2.73 0.13 -3.41 0.03 3.45 -2.05 -3.47 116.42 113.83 3i0r h ASP 250 Ca -0.34 -0.77 -0.67 0.00 0.43 0.00 0.00 57.03 55.68 3i0r h ASP 250 Cb 1.21 -0.04 -0.14 0.00 -0.56 0.00 0.00 39.33 39.80 3i0r h ASP 250 CO 0.54 1.38 -0.66 -0.44 -1.57 0.00 0.00 179.24 178.49 3i0r s SER 251 N -6.72 5.01 -0.08 6.45 0.01 -1.26 -4.99 113.70 112.12 3i0r s SER 251 Ca -0.23 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.01 3i0r s SER 251 Cb 0.03 -1.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.97 3i0r s SER 251 CO 0.68 0.27 -0.19 0.26 0.41 0.00 0.00 173.24 174.67 3i0r s TRP 252 N -1.10 2.61 0.41 2.43 0.52 -1.26 -5.05 118.94 117.49 3i0r s TRP 252 Ca 0.20 -0.56 0.08 0.00 0.02 0.00 0.00 56.10 55.83 3i0r s TRP 252 Cb -0.11 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.53 3i0r s TRP 252 CO 0.11 -0.12 0.51 0.95 0.02 0.00 0.00 176.95 178.42 3i0r s THR 253 N -0.16 3.00 0.50 2.01 -4.23 -1.26 0.09 115.64 115.59 3i0r s THR 253 Ca -0.02 -1.09 0.15 0.00 -1.18 0.00 0.00 61.69 59.55 3i0r s THR 253 Cb -0.14 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.93 3i0r s THR 253 CO 0.04 -0.01 2.12 0.58 -0.54 0.00 0.00 174.62 176.80 3i0r h VAL 254 N 0.77 1.03 0.12 2.29 2.07 -0.69 -1.01 116.25 120.83 3i0r h VAL 254 Ca -0.41 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3i0r h VAL 254 Cb 1.27 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3i0r h VAL 254 CO 0.49 0.03 -0.06 -1.13 0.02 0.00 0.00 177.57 176.92 3i0r h ASN 255 N 0.05 -0.14 -0.81 0.57 -1.24 -1.71 -1.88 115.58 110.41 3i0r h ASN 255 Ca 0.01 -0.27 0.10 0.00 0.71 0.00 0.00 56.30 56.85 3i0r h ASN 255 Cb 0.04 0.04 -0.08 0.00 0.73 0.00 0.00 38.32 39.05 3i0r h ASN 255 CO 0.00 0.21 0.45 0.44 -1.29 0.00 0.00 177.43 177.24 3i0r h ASP 256 N -0.50 0.61 0.05 1.15 3.45 -1.58 -1.39 116.42 118.21 3i0r h ASP 256 Ca -0.02 0.06 -0.25 0.00 0.43 0.00 0.00 57.03 57.25 3i0r h ASP 256 Cb 0.40 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.13 3i0r h ASP 256 CO 0.03 0.34 -0.96 0.40 -1.57 0.00 0.00 179.24 177.48 3i0r h ILE 257 N 0.73 1.31 0.22 0.35 2.04 -1.28 -1.78 117.51 119.10 3i0r h ILE 257 Ca 0.40 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3i0r h ILE 257 Cb 0.42 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3i0r h ILE 257 CO -0.27 0.69 -0.20 1.56 0.00 0.00 0.00 178.15 179.92 3i0r h GLN 258 N 0.39 -0.43 -0.57 2.37 4.20 -0.95 0.47 115.11 120.59 3i0r h GLN 258 Ca -0.10 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.72 3i0r h GLN 258 Cb 1.60 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.44 3i0r h GLN 258 CO 0.18 -0.29 0.38 0.87 -0.67 0.00 0.00 178.83 179.31 3i0r h LYS 259 N -0.45 0.43 0.12 1.46 1.57 -1.20 -1.27 116.57 117.23 3i0r h LYS 259 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3i0r h LYS 259 Cb 0.41 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i0r h LYS 259 CO -0.04 0.29 -0.06 1.25 -0.57 0.00 0.00 179.45 180.32 3i0r h LEU 260 N 0.44 -0.14 -0.80 2.94 6.46 -0.73 -1.83 115.31 121.66 3i0r h LEU 260 Ca 0.26 -0.36 0.17 0.00 -0.12 0.00 0.00 57.88 57.82 3i0r h LEU 260 Cb 0.43 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 3i0r h LEU 260 CO -0.07 0.32 0.31 0.58 -0.62 0.00 0.00 178.44 178.97 3i0r h VAL 261 N -0.63 0.58 -0.22 1.05 2.07 -0.15 -0.45 116.25 118.50 3i0r h VAL 261 Ca -0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3i0r h VAL 261 Cb 0.49 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3i0r h VAL 261 CO 0.03 0.08 0.10 1.23 0.02 0.00 0.00 177.57 179.02 3i0r h GLY 262 N 0.41 0.34 1.02 2.17 0.00 -1.11 0.33 103.07 106.24 3i0r h GLY 262 Ca 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3i0r h GLY 262 CO -0.46 0.17 0.55 0.50 0.00 0.00 0.00 176.54 177.30 3i0r h LYS 263 N 0.22 1.25 0.27 4.80 1.57 -0.59 -1.01 116.57 123.08 3i0r h LYS 263 Ca 0.07 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3i0r h LYS 263 Cb 0.14 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3i0r h LYS 263 CO -0.01 0.87 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.55 3i0r h LEU 264 N 1.27 -0.31 -0.77 2.94 3.38 -0.68 -0.66 115.31 120.47 3i0r h LEU 264 Ca 0.33 -0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.29 3i0r h LEU 264 Cb -0.05 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.64 3i0r h LEU 264 CO -0.06 0.03 -0.08 0.78 0.09 0.00 0.00 178.44 179.20 3i0r h ASN 265 N -0.68 -0.52 -0.83 -0.43 2.35 -0.88 0.46 115.58 115.05 3i0r h ASN 265 Ca -0.04 0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3i0r h ASN 265 Cb 0.47 0.41 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 3i0r h ASN 265 CO 0.06 -0.22 0.55 -0.25 -1.65 0.00 0.00 177.43 175.91 3i0r h TRP 266 N 0.05 1.03 0.00 1.19 2.91 -0.93 -2.35 115.95 117.85 3i0r h TRP 266 Ca 0.40 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 60.37 3i0r h TRP 266 Cb 0.69 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 3i0r h TRP 266 CO -0.51 0.63 -0.39 0.00 -1.03 0.00 0.00 178.44 177.14 3i0r h ALA 267 N 1.32 1.09 0.00 2.65 0.00 0.80 -3.02 119.26 122.10 3i0r h ALA 267 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i0r h ALA 267 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3i0r h ALA 267 CO -0.08 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 3i0r n SER 268 N -3.69 0.00 0.20 0.00 3.41 0.13 -1.65 113.62 112.03 3i0r n SER 268 Ca -0.01 -0.61 0.07 0.00 -0.26 0.00 0.00 58.87 58.06 3i0r n SER 268 Cb 0.48 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.83 3i0r n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3i0r h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.66 -3.32 115.11 118.66 3i0r h GLN 269 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i0r h GLN 269 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3i0r h GLN 269 CO 0.00 0.32 -0.05 1.51 -0.67 0.00 0.00 178.83 179.94 3i0r n ILE 270 N -3.57 0.00 -2.85 2.54 0.13 -0.97 -0.43 119.36 114.21 3i0r n ILE 270 Ca -0.00 -0.01 -0.43 0.00 -1.10 0.00 0.00 62.75 61.21 3i0r n ILE 270 Cb 0.46 0.23 -0.03 0.00 -0.84 0.00 0.00 39.64 39.46 3i0r n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3i0r s TYR 271 N -0.12 2.80 0.61 9.51 2.02 -0.66 -4.73 117.35 126.77 3i0r s TYR 271 Ca 0.00 -0.83 -0.19 0.00 -0.37 0.00 0.00 57.07 55.68 3i0r s TYR 271 Cb 0.00 -4.32 -0.03 0.00 -0.40 0.00 0.00 41.96 37.21 3i0r s TYR 271 CO 0.00 -1.63 1.26 -0.35 -1.57 0.00 0.00 175.55 173.26 3i0r n PRO 272 N 7.46 1.24 0.00 -1.71 -0.04 -1.26 -3.16 135.00 137.52 3i0r n PRO 272 Ca 0.08 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 3i0r n PRO 272 Cb 0.47 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 3i0r n PRO 272 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i0r n GLY 273 N 0.94 2.39 3.69 0.55 0.00 -1.26 -5.02 105.19 106.48 3i0r n GLY 273 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 3i0r n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i0r n ILE 274 N -2.00 0.10 -4.33 -0.61 2.08 -1.19 -4.98 119.36 108.43 3i0r n ILE 274 Ca 0.00 -0.02 -0.24 0.00 0.56 0.00 0.00 62.75 63.06 3i0r n ILE 274 Cb 0.00 -1.78 -0.08 0.00 -0.75 0.00 0.00 39.64 37.03 3i0r n ILE 274 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3i0r s LYS 275 N 1.51 2.11 0.00 0.38 1.02 -1.26 -5.03 119.74 118.47 3i0r s LYS 275 Ca 0.79 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 55.19 3i0r s LYS 275 Cb -0.60 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3i0r s LYS 275 CO 0.37 0.28 0.00 0.28 -0.92 0.00 0.00 175.35 175.36 3i0r n VAL 276 N -0.87 0.00 -0.01 3.17 0.31 -1.26 -4.95 118.33 114.73 3i0r n VAL 276 Ca -0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.12 3i0r n VAL 276 Cb 0.60 0.04 -0.05 0.00 -0.91 0.00 0.00 33.84 33.52 3i0r n VAL 276 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i0r h ARG 277 N 0.00 0.71 -0.64 5.55 2.43 -1.99 -1.99 114.38 118.45 3i0r h ARG 277 Ca 0.00 -0.59 0.09 0.00 -0.81 0.00 0.00 59.98 58.67 3i0r h ARG 277 Cb 0.00 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 3i0r h ARG 277 CO 0.00 1.20 0.29 1.96 -1.51 0.00 0.00 179.97 181.91 3i0r h GLN 278 N 0.48 0.50 -0.48 0.20 1.08 -1.93 -1.40 115.11 113.57 3i0r h GLN 278 Ca -0.05 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3i0r h GLN 278 Cb 1.39 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 3i0r h GLN 278 CO 0.15 0.33 0.26 -0.07 -0.95 0.00 0.00 178.83 178.55 3i0r h LEU 279 N 0.51 0.58 -0.01 1.46 -0.00 -1.79 -3.06 115.31 113.00 3i0r h LEU 279 Ca 0.31 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 3i0r h LEU 279 Cb 0.34 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 3i0r h LEU 279 CO -0.27 0.47 -0.02 0.00 -0.00 0.00 0.00 178.44 178.62 3i0r h LYS 281 N -0.49 -0.00 0.00 0.00 1.57 -1.19 1.79 116.57 118.26 3i0r h LYS 281 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i0r h LYS 281 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3i0r h LYS 281 CO 0.00 -0.00 0.43 1.28 -0.57 0.00 0.00 179.45 180.60 3i0r n LEU 282 N -5.55 0.22 0.03 2.94 4.77 -1.13 -1.49 117.00 116.79 3i0r n LEU 282 Ca 0.13 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 3i0r n LEU 282 Cb 0.45 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.11 3i0r n LEU 282 CO -0.13 -0.52 -0.39 0.18 -1.33 0.00 0.00 177.39 175.20 3i0r n LEU 283 N -1.91 0.38 -4.80 2.23 4.77 0.61 -5.01 117.00 113.27 3i0r n LEU 283 Ca -0.01 0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.73 3i0r n LEU 283 Cb 0.45 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3i0r n LEU 283 CO 0.04 -0.03 0.71 0.00 -1.33 0.00 0.00 177.39 176.77 3i0r s ARG 284 N -3.40 2.62 -1.02 3.23 1.04 -0.55 -4.00 118.95 116.87 3i0r s ARG 284 Ca -0.03 0.98 -0.17 0.00 -1.04 0.00 0.00 55.73 55.47 3i0r s ARG 284 Cb 0.13 -1.95 0.02 0.00 -2.04 0.00 0.00 34.95 31.11 3i0r s ARG 284 CO 0.86 -1.33 0.65 0.41 -0.04 0.00 0.00 175.30 175.85 3i0r n GLY 285 N -1.76 -1.08 3.81 3.88 0.00 -1.26 -4.86 105.19 103.92 3i0r n GLY 285 Ca 0.08 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 3i0r n GLY 285 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i0r s THR 286 N -3.26 4.99 0.00 2.61 -1.32 -1.26 -5.11 115.64 112.30 3i0r s THR 286 Ca 0.25 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 3i0r s THR 286 Cb -0.13 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 3i0r s THR 286 CO 0.93 0.48 0.00 0.29 -2.21 0.00 0.00 174.62 174.11 3i0r n LYS 287 N 1.57 2.36 -0.92 7.08 4.01 -1.26 -5.05 118.16 125.95 3i0r n LYS 287 Ca -0.16 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.36 3i0r n LYS 287 Cb 0.54 0.00 0.20 0.00 -0.51 0.00 0.00 35.03 35.26 3i0r n LYS 287 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i0r s ALA 288 N -3.71 0.43 0.19 7.82 0.00 -1.26 -4.96 121.76 120.28 3i0r s ALA 288 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3i0r s ALA 288 Cb 0.00 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.05 3i0r s ALA 288 CO 0.00 -3.21 1.46 -0.07 0.00 0.00 0.00 175.76 173.94 3i0r h LEU 289 N -2.17 0.30 -0.02 0.00 3.38 -1.96 -3.12 115.31 111.73 3i0r h LEU 289 Ca -0.57 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3i0r h LEU 289 Cb 1.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3i0r h LEU 289 CO 0.54 0.94 -0.03 0.35 0.09 0.00 0.00 178.44 180.33 3i0r n THR 290 N -3.77 0.00 -2.01 0.22 -2.24 -1.26 -2.16 114.28 103.06 3i0r n THR 290 Ca -0.03 -0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3i0r n THR 290 Cb 0.72 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 3i0r n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i0r s GLU 291 N -2.79 4.27 -0.21 -0.78 2.12 -1.18 -4.76 118.70 115.37 3i0r s GLU 291 Ca 0.21 2.30 -0.17 0.00 0.36 0.00 0.00 54.97 57.67 3i0r s GLU 291 Cb 0.20 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 3i0r s GLU 291 CO 0.51 -0.40 0.47 0.08 -0.54 0.00 0.00 175.26 175.38 3i0r s VAL 292 N -0.16 5.14 -0.29 3.70 1.01 -1.26 -0.62 120.40 127.93 3i0r s VAL 292 Ca 0.58 0.85 -0.09 0.00 0.00 0.00 0.00 61.98 63.32 3i0r s VAL 292 Cb -0.42 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3i0r s VAL 292 CO 0.45 0.19 0.13 -0.63 0.00 0.00 0.00 175.10 175.24 3i0r s ILE 293 N 1.61 4.59 -0.12 2.22 -1.09 0.11 -4.95 121.20 123.57 3i0r s ILE 293 Ca 0.22 -0.26 -0.31 0.00 -2.23 0.00 0.00 60.65 58.07 3i0r s ILE 293 Cb -0.15 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.38 3i0r s ILE 293 CO 0.09 0.18 2.05 -0.81 -1.23 0.00 0.00 174.94 175.22 3i0r n PRO 294 N 4.97 2.19 -1.75 2.79 -0.04 -1.26 -4.40 135.00 137.50 3i0r n PRO 294 Ca -0.15 0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 3i0r n PRO 294 Cb 0.50 -2.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.03 3i0r n PRO 294 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i0r s LEU 295 N 5.80 4.40 0.86 1.53 1.43 -1.26 -4.97 118.68 126.47 3i0r s LEU 295 Ca 0.96 2.70 -0.15 0.00 -1.03 0.00 0.00 54.13 56.61 3i0r s LEU 295 Cb -0.54 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 3i0r s LEU 295 CO 0.44 -0.99 0.20 0.41 0.23 0.00 0.00 176.35 176.63 3i0r n THR 296 N 4.86 0.61 -0.06 5.49 -1.04 -1.26 -4.80 114.28 118.09 3i0r n THR 296 Ca 0.18 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 3i0r n THR 296 Cb 0.39 -0.51 -0.07 0.00 -1.82 0.00 0.00 70.33 68.32 3i0r n THR 296 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3i0r h GLU 297 N -0.97 0.34 -0.12 -2.82 4.81 -1.98 0.21 114.58 114.05 3i0r h GLU 297 Ca -0.44 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 58.66 3i0r h GLU 297 Cb 1.32 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 3i0r h GLU 297 CO 0.35 0.70 -0.12 0.93 -0.73 0.00 0.00 179.01 180.14 3i0r h GLU 298 N -0.01 -0.14 -0.72 1.92 3.07 -1.99 0.11 114.58 116.82 3i0r h GLU 298 Ca 0.03 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.05 3i0r h GLU 298 Cb 0.62 0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.43 3i0r h GLU 298 CO 0.03 -0.09 -0.09 0.00 -1.40 0.00 0.00 179.01 177.45 3i0r h ALA 299 N 0.93 0.61 -0.79 3.43 0.00 -1.84 -0.42 119.26 121.18 3i0r h ALA 299 Ca 0.09 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3i0r h ALA 299 Cb 0.27 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3i0r h ALA 299 CO -0.21 -0.42 0.38 0.93 0.00 0.00 0.00 179.25 179.93 3i0r h GLU 300 N 0.05 1.13 -0.17 0.00 4.39 0.21 -0.55 114.58 119.63 3i0r h GLU 300 Ca 0.37 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.93 3i0r h GLU 300 Cb 0.61 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3i0r h GLU 300 CO -0.69 0.87 0.04 -0.07 -1.16 0.00 0.00 179.01 178.00 3i0r h LEU 301 N 1.12 0.03 -0.07 1.33 3.38 0.74 -1.45 115.31 120.40 3i0r h LEU 301 Ca 0.27 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.28 3i0r h LEU 301 Cb 0.11 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3i0r h LEU 301 CO -0.03 0.04 -0.24 -0.33 0.09 0.00 0.00 178.44 177.97 3i0r h GLU 302 N 0.12 -0.25 -1.63 1.13 5.08 -0.44 0.66 114.58 119.25 3i0r h GLU 302 Ca 0.08 0.02 0.49 0.00 -1.00 0.00 0.00 59.36 58.94 3i0r h GLU 302 Cb 0.06 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 3i0r h GLU 302 CO -0.09 -0.17 1.14 1.25 -1.00 0.00 0.00 179.01 180.14 3i0r h LEU 303 N -0.26 0.08 0.00 1.33 6.46 -0.87 0.31 115.31 122.37 3i0r h LEU 303 Ca 0.02 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3i0r h LEU 303 Cb 0.30 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 3i0r h LEU 303 CO -0.20 -0.06 -0.00 0.00 -0.62 0.00 0.00 178.44 177.56 3i0r h ALA 304 N 1.27 0.00 -0.23 1.25 0.00 0.10 -2.77 119.26 118.88 3i0r h ALA 304 Ca 0.84 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.75 3i0r h ALA 304 Cb 3.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.91 3i0r h ALA 304 CO -0.14 0.00 0.39 1.49 0.00 0.00 0.00 179.25 180.99 3i0r h GLU 305 N -1.00 0.00 0.08 0.00 4.81 0.22 0.07 114.58 118.76 3i0r h GLU 305 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 3i0r h GLU 305 Cb 0.14 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.54 3i0r h GLU 305 CO -0.00 0.00 -0.83 -0.91 -0.73 0.00 0.00 179.01 176.54 3i0r h ASN 306 N 0.00 0.60 0.43 1.04 2.35 -0.52 -3.03 115.58 116.44 3i0r h ASN 306 Ca 0.11 -0.84 -0.07 0.00 -0.55 0.00 0.00 56.30 54.95 3i0r h ASN 306 Cb 0.89 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 3i0r h ASN 306 CO -0.00 1.38 -0.34 0.03 -1.65 0.00 0.00 177.43 176.85 3i0r h ARG 307 N -0.10 0.00 0.47 0.81 3.08 -0.74 -1.19 114.38 116.71 3i0r h ARG 307 Ca -0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3i0r h ARG 307 Cb 1.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.61 3i0r h ARG 307 CO 0.16 0.34 -0.41 1.49 -1.07 0.00 0.00 179.97 180.47 3i0r h GLU 308 N 0.00 -0.86 -0.50 0.04 4.57 -1.23 0.18 114.58 116.79 3i0r h GLU 308 Ca -0.00 0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3i0r h GLU 308 Cb 0.64 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 29.37 3i0r h GLU 308 CO 0.04 -0.57 0.20 0.82 -1.18 0.00 0.00 179.01 178.32 3i0r h ILE 309 N -0.89 0.86 0.00 2.32 2.04 -1.33 -2.76 117.51 117.75 3i0r h ILE 309 Ca -0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3i0r h ILE 309 Cb 0.77 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3i0r h ILE 309 CO -0.03 0.07 0.00 -0.07 0.00 0.00 0.00 178.15 178.12 3i0r h LEU 310 N 0.39 0.00 -9.08 1.44 3.38 -0.91 -3.43 115.31 107.09 3i0r h LEU 310 Ca 0.23 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 3i0r h LEU 310 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3i0r h LEU 310 CO -0.22 0.00 1.28 -0.75 0.09 0.00 0.00 178.44 178.84 3i0r s LYS 311 N -3.25 3.63 0.20 1.13 2.20 0.61 -4.50 119.74 119.76 3i0r s LYS 311 Ca 0.07 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3i0r s LYS 311 Cb 0.09 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 3i0r s LYS 311 CO 0.58 -1.51 0.00 -1.91 -0.36 0.00 0.00 175.35 172.14 3i0r n GLU 312 N 8.04 -2.83 -2.09 4.03 0.00 -1.26 -4.99 120.64 121.54 3i0r n GLU 312 Ca 0.23 2.05 -0.37 0.00 0.00 0.00 0.00 57.16 59.07 3i0r n GLU 312 Cb 0.44 -2.24 0.01 0.00 0.00 0.00 0.00 31.44 29.65 3i0r n GLU 312 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 3i0r s PRO 313 N -2.93 3.53 0.06 5.31 0.02 -1.26 -5.03 135.00 134.71 3i0r s PRO 313 Ca 0.00 1.93 0.10 0.00 0.02 0.00 0.00 61.00 63.04 3i0r s PRO 313 Cb 0.00 -2.34 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 3i0r s PRO 313 CO 0.00 -0.78 -0.26 0.08 -0.33 0.00 0.00 177.00 175.70 3i0r s VAL 314 N -1.47 2.18 0.20 3.83 1.01 -1.26 -5.16 120.40 119.73 3i0r s VAL 314 Ca 0.67 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3i0r s VAL 314 Cb -0.33 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 3i0r s VAL 314 CO 0.39 0.31 -0.12 -1.00 0.00 0.00 0.00 175.10 174.68 3i0r s HIS 315 N -0.86 1.62 0.16 5.22 3.76 -1.26 -4.83 115.29 119.09 3i0r s HIS 315 Ca 0.12 -0.64 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 3i0r s HIS 315 Cb -0.10 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 3i0r s HIS 315 CO 0.03 0.28 -0.01 0.20 -0.85 0.00 0.00 174.74 174.38 3i0r s GLY 316 N -3.29 1.75 0.40 -2.22 0.00 0.20 -4.84 107.32 99.32 3i0r s GLY 316 Ca 0.22 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.62 3i0r s GLY 316 CO 0.06 -1.35 0.59 -1.34 0.00 0.00 0.00 173.10 171.06 3i0r s VAL 317 N -1.65 4.10 0.29 1.40 -7.23 -0.33 -0.18 120.40 116.80 3i0r s VAL 317 Ca 0.27 -0.68 -0.03 0.00 -1.81 0.00 0.00 61.98 59.72 3i0r s VAL 317 Cb -0.10 -3.48 0.06 0.00 0.56 0.00 0.00 36.38 33.43 3i0r s VAL 317 CO 0.18 -0.28 0.40 -1.22 -0.31 0.00 0.00 175.10 173.87 3i0r n TYR 318 N -1.90 -3.66 -4.21 2.82 4.01 -1.26 -4.46 117.16 108.50 3i0r n TYR 318 Ca 0.00 -0.48 -0.28 0.00 -0.16 0.00 0.00 57.90 56.98 3i0r n TYR 318 Cb 0.58 -0.30 -0.09 0.00 -0.31 0.00 0.00 39.34 39.22 3i0r n TYR 318 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3i0r s TYR 319 N -1.49 2.80 -0.36 -0.72 5.04 -0.62 -4.89 117.35 117.11 3i0r s TYR 319 Ca 0.24 -0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 54.73 3i0r s TYR 319 Cb -0.01 -1.41 0.12 0.00 0.35 0.00 0.00 41.96 41.01 3i0r s TYR 319 CO 0.16 0.48 0.18 0.34 -1.34 0.00 0.00 175.55 175.37 3i0r s ASP 320 N -2.56 3.49 0.00 4.32 -1.08 -1.26 -3.42 116.67 116.15 3i0r s ASP 320 Ca 0.25 -2.04 0.00 0.00 -0.52 0.00 0.00 52.55 50.24 3i0r s ASP 320 Cb -0.10 -0.67 0.00 0.00 -1.46 0.00 0.00 42.92 40.69 3i0r s ASP 320 CO 0.16 -0.34 0.75 -0.81 0.52 0.00 0.00 175.17 175.45 3i0r n PRO 321 N 4.28 0.00 -0.09 4.34 -0.04 -1.26 -2.24 135.00 139.99 3i0r n PRO 321 Ca 0.05 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.64 3i0r n PRO 321 Cb 0.38 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 3i0r n PRO 321 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i0r n SER 322 N -1.25 1.85 -3.80 3.54 3.41 -1.26 -4.96 113.62 111.15 3i0r n SER 322 Ca 0.00 0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 58.81 3i0r n SER 322 Cb 0.09 -0.91 0.24 0.00 -0.26 0.00 0.00 64.21 63.38 3i0r n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i0r s LYS 323 N -2.35 -1.41 0.71 4.33 1.02 -0.95 -5.06 119.74 116.03 3i0r s LYS 323 Ca -0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 3i0r s LYS 323 Cb 0.05 -1.57 0.12 0.00 -0.52 0.00 0.00 37.83 35.91 3i0r s LYS 323 CO 0.43 -3.85 0.98 -0.51 -0.92 0.00 0.00 175.35 171.48 3i0r s ASP 324 N -3.75 4.42 -0.20 2.83 1.01 -1.26 -4.96 116.67 114.75 3i0r s ASP 324 Ca 0.70 -0.27 -0.04 0.00 0.71 0.00 0.00 52.55 53.66 3i0r s ASP 324 Cb -0.11 -0.17 -0.01 0.00 1.01 0.00 0.00 42.92 43.64 3i0r s ASP 324 CO 0.56 -1.81 -0.05 -0.76 0.21 0.00 0.00 175.17 173.33 3i0r s LEU 325 N -5.13 2.96 -0.08 1.23 1.43 -1.26 -4.30 118.68 113.52 3i0r s LEU 325 Ca 0.65 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3i0r s LEU 325 Cb -0.06 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3i0r s LEU 325 CO 0.44 0.03 -0.17 -0.63 0.23 0.00 0.00 176.35 176.25 3i0r s ILE 326 N 1.18 2.72 -0.08 -0.59 -1.09 0.44 0.38 121.20 124.16 3i0r s ILE 326 Ca 0.02 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3i0r s ILE 326 Cb -0.14 -2.07 0.00 0.00 -1.58 0.00 0.00 42.46 38.67 3i0r s ILE 326 CO -0.01 0.56 -0.20 0.00 -1.23 0.00 0.00 174.94 174.07 3i0r s ALA 327 N -0.17 1.82 -0.06 9.38 0.00 0.25 -1.08 121.76 131.91 3i0r s ALA 327 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.24 3i0r s ALA 327 Cb -0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3i0r s ALA 327 CO 0.03 0.23 -0.23 -1.21 0.00 0.00 0.00 175.76 174.59 3i0r s GLU 328 N 0.43 2.54 0.07 0.00 2.02 -0.29 0.15 118.70 123.62 3i0r s GLU 328 Ca -0.16 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.04 3i0r s GLU 328 Cb -0.17 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 3i0r s GLU 328 CO 0.07 0.44 -0.14 0.42 0.02 0.00 0.00 175.26 176.06 3i0r s ILE 329 N -0.29 3.08 0.01 -1.63 1.01 -0.92 -1.83 121.20 120.63 3i0r s ILE 329 Ca 0.01 -1.24 0.07 0.00 0.00 0.00 0.00 60.65 59.48 3i0r s ILE 329 Cb -0.13 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 3i0r s ILE 329 CO 0.03 0.22 -0.20 -1.10 0.00 0.00 0.00 174.94 173.88 3i0r s GLN 330 N -1.84 1.49 -0.06 2.79 1.11 0.20 -4.37 119.66 118.98 3i0r s GLN 330 Ca 0.18 -0.81 -0.30 0.00 0.01 0.00 0.00 55.36 54.44 3i0r s GLN 330 Cb -0.11 -1.51 -0.03 0.00 -1.01 0.00 0.00 33.01 30.35 3i0r s GLN 330 CO 0.09 0.40 1.17 0.21 0.01 0.00 0.00 175.29 177.17 3i0r s LYS 331 N -0.79 4.37 0.00 2.91 2.20 -1.26 -1.61 119.74 125.55 3i0r s LYS 331 Ca 0.07 1.63 0.12 0.00 -0.36 0.00 0.00 55.97 57.43 3i0r s LYS 331 Cb -0.08 -3.55 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3i0r s LYS 331 CO 0.00 -0.41 0.75 1.04 -0.36 0.00 0.00 175.35 176.37 3i0r n GLN 332 N 5.10 1.64 0.00 4.03 6.02 0.12 -4.56 117.38 129.74 3i0r n GLN 332 Ca 0.10 -0.82 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 3i0r n GLN 332 Cb 0.47 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.56 3i0r n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i0r n GLY 333 N 0.90 0.95 3.48 1.08 0.00 -1.13 -4.89 105.19 105.59 3i0r n GLY 333 Ca 0.06 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 3i0r n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i0r n GLN 334 N 0.00 0.36 -3.02 1.61 6.02 -1.26 0.36 117.38 121.45 3i0r n GLN 334 Ca 0.00 0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 3i0r n GLN 334 Cb 0.00 -2.06 -0.02 0.00 1.02 0.00 0.00 30.24 29.19 3i0r n GLN 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i0r n GLY 335 N 6.49 -0.48 3.26 1.08 0.00 -1.26 -4.94 105.19 109.34 3i0r n GLY 335 Ca 0.56 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 3i0r n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i0r s GLN 336 N -5.60 3.16 0.15 1.61 -0.21 0.16 -4.35 119.66 114.58 3i0r s GLN 336 Ca 0.23 -0.81 0.07 0.00 0.02 0.00 0.00 55.36 54.87 3i0r s GLN 336 Cb -0.13 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 3i0r s GLN 336 CO 0.28 0.15 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.87 3i0r s TRP 337 N 0.44 1.58 -0.05 0.91 0.52 0.20 0.15 118.94 122.68 3i0r s TRP 337 Ca -0.14 -0.54 -0.10 0.00 0.02 0.00 0.00 56.10 55.34 3i0r s TRP 337 Cb -0.17 -0.79 0.02 0.00 -1.15 0.00 0.00 33.47 31.38 3i0r s TRP 337 CO 0.06 0.23 0.23 -0.08 0.02 0.00 0.00 176.95 177.42 3i0r s THR 338 N -2.33 0.03 0.17 2.01 -1.32 -0.64 0.24 115.64 113.81 3i0r s THR 338 Ca 0.14 -0.28 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 3i0r s THR 338 Cb -0.04 -0.43 -0.02 0.00 -1.51 0.00 0.00 72.50 70.50 3i0r s THR 338 CO 0.05 -0.16 0.25 -0.72 -2.21 0.00 0.00 174.62 171.83 3i0r s TYR 339 N -0.59 0.56 -0.04 9.09 1.13 -0.01 0.59 117.35 128.08 3i0r s TYR 339 Ca -0.07 -0.91 -0.08 0.00 -1.41 0.00 0.00 57.07 54.60 3i0r s TYR 339 Cb -0.04 -0.16 0.01 0.00 -1.10 0.00 0.00 41.96 40.67 3i0r s TYR 339 CO 0.02 -0.70 0.19 -0.65 -2.51 0.00 0.00 175.55 171.90 3i0r s GLN 340 N -4.01 0.39 -0.02 -3.49 1.11 -0.76 -1.37 119.66 111.51 3i0r s GLN 340 Ca 0.21 -0.04 0.03 0.00 0.01 0.00 0.00 55.36 55.58 3i0r s GLN 340 Cb 0.04 0.17 -0.00 0.00 -1.01 0.00 0.00 33.01 32.21 3i0r s GLN 340 CO 0.03 -0.08 -0.12 0.42 0.01 0.00 0.00 175.29 175.54 3i0r s ILE 341 N -0.66 1.01 0.30 1.08 1.01 0.10 -1.14 121.20 122.90 3i0r s ILE 341 Ca -0.08 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 3i0r s ILE 341 Cb -0.04 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.59 3i0r s ILE 341 CO 0.01 0.30 0.74 -0.72 0.00 0.00 0.00 174.94 175.27 3i0r s TYR 342 N -0.05 -0.13 -0.02 3.97 -0.85 -0.24 -0.59 117.35 119.44 3i0r s TYR 342 Ca 0.00 -0.37 0.03 0.00 -0.52 0.00 0.00 57.07 56.21 3i0r s TYR 342 Cb -0.08 0.73 -0.05 0.00 0.38 0.00 0.00 41.96 42.95 3i0r s TYR 342 CO 0.00 -1.29 0.04 1.04 -1.52 0.00 0.00 175.55 173.82 3i0r n GLN 343 N -0.48 2.19 -3.90 -3.49 6.02 -1.26 -0.42 117.38 116.04 3i0r n GLN 343 Ca -0.05 -0.01 -0.26 0.00 -0.01 0.00 0.00 57.00 56.67 3i0r n GLN 343 Cb 0.59 -1.08 -0.17 0.00 1.02 0.00 0.00 30.24 30.60 3i0r n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3i0r s GLU 344 N -2.14 1.30 -0.14 -1.09 2.12 -1.26 -4.72 118.70 112.76 3i0r s GLU 344 Ca -0.01 -0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 3i0r s GLU 344 Cb 0.01 -1.42 -0.05 0.00 0.26 0.00 0.00 34.13 32.94 3i0r s GLU 344 CO 0.14 -0.26 0.32 -2.30 -0.54 0.00 0.00 175.26 172.62 3i0r n PRO 345 N 4.93 0.00 0.00 4.30 -0.02 -1.26 -1.50 135.00 141.45 3i0r n PRO 345 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3i0r n PRO 345 Cb 0.50 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 3i0r n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i0r n PHE 346 N 0.87 0.00 -3.02 6.00 3.72 -1.26 -5.01 117.46 118.76 3i0r n PHE 346 Ca 0.10 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 3i0r n PHE 346 Cb 0.02 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 3i0r n PHE 346 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i0r s LYS 347 N -0.75 3.74 0.34 -1.08 -0.14 -0.57 -5.03 119.74 116.24 3i0r s LYS 347 Ca 0.00 -2.13 -0.29 0.00 -1.36 0.00 0.00 55.97 52.19 3i0r s LYS 347 Cb 0.00 -4.85 -0.12 0.00 -1.68 0.00 0.00 37.83 31.18 3i0r s LYS 347 CO 0.00 -1.66 1.47 0.09 -0.76 0.00 0.00 175.35 174.49 3i0r n ASN 348 N 5.72 3.53 0.02 2.83 3.02 -1.26 -4.27 115.26 124.85 3i0r n ASN 348 Ca 0.25 1.20 -0.08 0.00 -0.03 0.00 0.00 54.58 55.92 3i0r n ASN 348 Cb 0.47 -1.57 -0.13 0.00 -0.61 0.00 0.00 39.78 37.94 3i0r n ASN 348 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3i0r h LEU 349 N 3.47 0.00 -7.40 3.41 4.07 -1.07 -0.87 115.31 116.93 3i0r h LEU 349 Ca -0.48 -0.00 0.22 0.00 0.08 0.00 0.00 57.88 57.69 3i0r h LEU 349 Cb 1.25 -0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.88 3i0r h LEU 349 CO 0.69 1.00 0.61 -1.59 -1.08 0.00 0.00 178.44 178.07 3i0r s LYS 350 N -2.65 0.85 0.28 1.13 -2.85 -0.98 -4.53 119.74 111.00 3i0r s LYS 350 Ca -0.02 -0.45 0.07 0.00 -1.00 0.00 0.00 55.97 54.58 3i0r s LYS 350 Cb 0.09 0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 36.11 3i0r s LYS 350 CO 0.82 -0.39 -0.08 0.95 0.10 0.00 0.00 175.35 176.76 3i0r s THR 351 N -2.96 1.74 0.24 3.79 -4.23 0.42 0.03 115.64 114.68 3i0r s THR 351 Ca 0.12 -2.15 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 3i0r s THR 351 Cb 0.00 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.47 3i0r s THR 351 CO -0.02 -0.32 0.87 -0.83 -0.54 0.00 0.00 174.62 173.79 3i0r s GLY 352 N -3.45 -0.00 0.10 3.99 0.00 -0.47 -4.19 107.32 103.30 3i0r s GLY 352 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.78 3i0r s GLY 352 CO 0.12 0.34 -0.09 -1.59 0.00 0.00 0.00 173.10 171.88 3i0r s LYS 353 N -3.05 0.85 -0.02 2.90 -2.85 -1.26 -0.83 119.74 115.48 3i0r s LYS 353 Ca 0.14 -1.23 0.02 0.00 -1.00 0.00 0.00 55.97 53.90 3i0r s LYS 353 Cb -0.04 -0.42 0.01 0.00 -2.06 0.00 0.00 37.83 35.32 3i0r s LYS 353 CO 0.06 0.04 -0.05 -0.47 0.10 0.00 0.00 175.35 175.03 3i0r s TYR 354 N -2.89 0.60 0.21 1.78 5.04 0.14 -4.96 117.35 117.26 3i0r s TYR 354 Ca 0.08 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 3i0r s TYR 354 Cb 0.00 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.85 3i0r s TYR 354 CO -0.01 -0.08 0.00 0.00 -1.34 0.00 0.00 175.55 174.12 3i0r n ALA 355 N 3.41 3.00 0.00 3.97 0.00 -1.26 0.59 120.51 130.21 3i0r n ALA 355 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3i0r n ALA 355 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i0r n ALA 355 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i0r n ARG 356 N -3.26 0.00 -3.83 0.00 0.63 -1.26 -4.74 116.66 104.20 3i0r n ARG 356 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 3i0r n ARG 356 Cb 0.01 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.81 3i0r n ARG 356 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i0r s MET 357 N 0.00 2.36 -0.18 -0.14 0.23 -1.26 -4.98 119.30 115.33 3i0r s MET 357 Ca 0.00 -2.70 -0.28 0.00 -1.03 0.00 0.00 55.69 51.68 3i0r s MET 357 Cb 0.00 -3.55 -0.06 0.00 -1.53 0.00 0.00 34.83 29.70 3i0r s MET 357 CO 0.00 -1.16 2.17 1.03 -2.03 0.00 0.00 175.02 175.03 3i0r s ARG 358 N -0.38 3.30 0.00 3.16 0.52 -1.26 -4.75 118.95 119.54 3i0r s ARG 358 Ca 0.18 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 3i0r s ARG 358 Cb -0.21 -4.34 0.00 0.00 0.52 0.00 0.00 34.95 30.93 3i0r s ARG 358 CO -0.04 -1.91 0.00 0.41 0.02 0.00 0.00 175.30 173.78 3i0r n GLY 359 N 5.55 -0.07 0.11 -3.53 0.00 -1.26 -4.72 105.19 101.26 3i0r n GLY 359 Ca 0.28 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 3i0r n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i0r n ALA 360 N 0.33 1.44 -3.42 4.61 0.00 -1.26 -4.88 120.51 117.34 3i0r n ALA 360 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 53.44 52.04 3i0r n ALA 360 Cb 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 19.45 19.01 3i0r n ALA 360 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3i0r s HIS 361 N -2.52 1.40 0.09 0.00 3.76 -1.26 -1.72 115.29 115.04 3i0r s HIS 361 Ca -0.17 -0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 54.15 3i0r s HIS 361 Cb 0.07 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.74 3i0r s HIS 361 CO 0.76 -0.25 0.20 -0.08 -0.85 0.00 0.00 174.74 174.52 3i0r s THR 362 N 0.62 0.14 0.37 1.30 -1.32 -1.22 -4.98 115.64 110.55 3i0r s THR 362 Ca -0.13 -1.14 0.08 0.00 -1.21 0.00 0.00 61.69 59.29 3i0r s THR 362 Cb -0.15 -1.32 -0.06 0.00 -1.51 0.00 0.00 72.50 69.45 3i0r s THR 362 CO 0.03 -0.63 0.05 0.54 -2.21 0.00 0.00 174.62 172.40 3i0r s ASN 363 N -2.85 4.15 0.16 8.08 2.20 -1.26 -2.64 114.94 122.78 3i0r s ASN 363 Ca 0.05 -1.10 -0.20 0.00 -0.94 0.00 0.00 52.86 50.66 3i0r s ASN 363 Cb 0.05 -0.48 0.07 0.00 -2.00 0.00 0.00 41.25 38.89 3i0r s ASN 363 CO -0.11 -0.35 1.63 0.44 -2.94 0.00 0.00 177.10 175.77 3i0r h ASP 364 N 1.72 -0.73 -0.83 3.54 3.45 -1.91 -1.49 116.42 120.17 3i0r h ASP 364 Ca -0.43 0.15 0.14 0.00 0.43 0.00 0.00 57.03 57.32 3i0r h ASP 364 Cb 1.25 0.37 -0.06 0.00 -0.56 0.00 0.00 39.33 40.33 3i0r h ASP 364 CO 0.71 -0.25 0.54 0.58 -1.57 0.00 0.00 179.24 179.25 3i0r h VAL 365 N -0.17 0.83 0.77 -1.35 2.07 -1.96 0.17 116.25 116.61 3i0r h VAL 365 Ca 0.17 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3i0r h VAL 365 Cb 0.44 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3i0r h VAL 365 CO -0.45 0.11 -0.37 0.11 0.02 0.00 0.00 177.57 176.99 3i0r h LYS 366 N 0.60 -0.99 -0.88 1.57 1.57 -1.74 -2.71 116.57 113.98 3i0r h LYS 366 Ca 0.41 0.07 0.24 0.00 -1.87 0.00 0.00 60.65 59.49 3i0r h LYS 366 Cb 0.73 0.23 -0.14 0.00 0.08 0.00 0.00 32.23 33.13 3i0r h LYS 366 CO -0.17 -0.66 0.29 1.96 -0.57 0.00 0.00 179.45 180.30 3i0r h GLN 367 N -1.26 0.25 -0.69 3.15 4.20 -0.26 0.45 115.11 120.95 3i0r h GLN 367 Ca -0.11 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 3i0r h GLN 367 Cb 0.80 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 3i0r h GLN 367 CO 0.17 0.16 0.17 1.25 -0.67 0.00 0.00 178.83 179.91 3i0r h LEU 368 N 0.25 1.03 -0.41 1.46 7.12 -0.68 -1.66 115.31 122.42 3i0r h LEU 368 Ca 0.56 -0.21 -0.18 0.00 0.13 0.00 0.00 57.88 58.18 3i0r h LEU 368 Cb 1.13 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 3i0r h LEU 368 CO -0.62 0.99 -0.79 0.71 -0.13 0.00 0.00 178.44 178.60 3i0r h THR 369 N 1.04 1.47 0.07 1.05 1.35 -0.62 -1.92 112.91 115.35 3i0r h THR 369 Ca 0.22 -2.45 0.02 0.00 -0.55 0.00 0.00 66.41 63.65 3i0r h THR 369 Cb 0.36 2.34 -0.04 0.00 -1.73 0.00 0.00 68.15 69.08 3i0r h THR 369 CO 0.00 0.71 -0.26 -0.33 -0.25 0.00 0.00 175.52 175.40 3i0r h GLU 370 N 0.11 -0.42 -0.75 4.72 5.08 -0.96 -1.40 114.58 120.96 3i0r h GLU 370 Ca -0.03 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 3i0r h GLU 370 Cb 1.38 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.58 3i0r h GLU 370 CO 0.12 -0.28 -0.18 0.00 -1.00 0.00 0.00 179.01 177.66 3i0r h ALA 371 N 0.33 0.50 -0.94 3.43 0.00 -1.19 0.16 119.26 121.55 3i0r h ALA 371 Ca 0.04 0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.33 3i0r h ALA 371 Cb 0.49 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3i0r h ALA 371 CO -0.18 -0.41 0.59 0.28 0.00 0.00 0.00 179.25 179.53 3i0r h VAL 372 N 0.00 1.01 -0.14 0.00 2.07 -0.61 0.77 116.25 119.35 3i0r h VAL 372 Ca 0.36 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3i0r h VAL 372 Cb 0.55 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3i0r h VAL 372 CO -0.77 0.19 -0.23 -0.61 0.02 0.00 0.00 177.57 176.17 3i0r h GLN 373 N 1.03 0.39 -0.34 1.57 5.75 -0.21 0.39 115.11 123.69 3i0r h GLN 373 Ca 0.43 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 3i0r h GLN 373 Cb 0.28 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 3i0r h GLN 373 CO -0.21 0.83 0.20 -0.22 -2.65 0.00 0.00 178.83 176.79 3i0r h LYS 374 N -0.00 0.47 -0.67 1.69 3.11 0.56 0.18 116.57 121.89 3i0r h LYS 374 Ca 0.01 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 3i0r h LYS 374 Cb 0.81 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.91 3i0r h LYS 374 CO 0.05 0.36 0.38 0.82 -2.81 0.00 0.00 179.45 178.25 3i0r h ILE 375 N 0.44 1.20 -0.07 2.00 2.04 0.61 -2.06 117.51 121.68 3i0r h ILE 375 Ca 0.12 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3i0r h ILE 375 Cb 0.01 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3i0r h ILE 375 CO -0.02 0.22 0.04 0.74 0.00 0.00 0.00 178.15 179.12 3i0r h THR 376 N 0.94 1.09 0.56 -0.27 2.02 0.13 -1.21 112.91 116.15 3i0r h THR 376 Ca 0.24 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3i0r h THR 376 Cb 0.00 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3i0r h THR 376 CO -0.04 0.07 -0.41 0.74 0.37 0.00 0.00 175.52 176.25 3i0r h THR 377 N 0.01 0.17 -1.08 3.16 2.02 -0.92 -1.11 112.91 115.16 3i0r h THR 377 Ca 0.02 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.50 3i0r h THR 377 Cb 0.09 0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 66.58 3i0r h THR 377 CO -0.00 0.00 0.71 -0.08 0.37 0.00 0.00 175.52 176.52 3i0r h GLU 378 N -0.94 0.28 -0.08 6.66 4.81 -1.32 0.59 114.58 124.59 3i0r h GLU 378 Ca -0.06 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3i0r h GLU 378 Cb 0.79 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3i0r h GLU 378 CO 0.02 0.19 -0.13 1.03 -0.73 0.00 0.00 179.01 179.39 3i0r h SER 379 N 0.29 0.26 0.04 1.04 0.87 -0.51 -0.15 113.55 115.39 3i0r h SER 379 Ca 0.60 -0.54 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3i0r h SER 379 Cb 1.72 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.59 3i0r h SER 379 CO -0.25 0.75 -0.09 0.40 -0.53 0.00 0.00 176.83 177.11 3i0r h ILE 380 N -0.23 0.78 -0.22 2.23 2.04 0.32 0.35 117.51 122.79 3i0r h ILE 380 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3i0r h ILE 380 Cb 0.70 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3i0r h ILE 380 CO 0.03 0.00 -0.42 0.58 0.00 0.00 0.00 178.15 178.34 3i0r h VAL 381 N -0.17 0.00 0.01 1.67 2.07 -1.27 0.22 116.25 118.78 3i0r h VAL 381 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3i0r h VAL 381 Cb 0.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3i0r h VAL 381 CO -0.06 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.92 3i0r h ILE 382 N -0.36 1.06 -0.01 4.57 2.04 -0.42 -3.35 117.51 121.04 3i0r h ILE 382 Ca 0.04 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i0r h ILE 382 Cb 0.48 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3i0r h ILE 382 CO -0.40 0.05 -0.33 0.79 0.00 0.00 0.00 178.15 178.26 3i0r n TRP 383 N -5.06 0.00 -0.97 1.37 8.01 0.12 -4.77 117.44 116.15 3i0r n TRP 383 Ca -0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 3i0r n TRP 383 Cb 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 3i0r n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3i0r n GLY 384 N 1.06 0.78 3.28 6.99 0.00 0.77 -5.01 105.19 113.05 3i0r n GLY 384 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3i0r n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i0r s LYS 385 N -0.11 0.99 0.16 1.61 -2.85 -1.26 -4.94 119.74 113.34 3i0r s LYS 385 Ca 0.00 -0.98 -0.11 0.00 -1.00 0.00 0.00 55.97 53.88 3i0r s LYS 385 Cb 0.00 0.38 -0.07 0.00 -2.06 0.00 0.00 37.83 36.08 3i0r s LYS 385 CO 0.00 -0.35 0.51 0.95 0.10 0.00 0.00 175.35 176.56 3i0r s THR 386 N -3.88 4.95 0.43 3.79 -4.23 -1.26 -3.84 115.64 111.59 3i0r s THR 386 Ca 0.08 0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 61.16 3i0r s THR 386 Cb 0.04 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 3i0r s THR 386 CO -0.08 0.15 0.70 -2.16 -0.54 0.00 0.00 174.62 172.69 3i0r s PRO 387 N -2.24 3.52 0.07 3.99 0.04 -1.26 -4.86 135.00 134.25 3i0r s PRO 387 Ca 0.40 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 3i0r s PRO 387 Cb -0.13 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 3i0r s PRO 387 CO 0.20 -0.07 1.14 0.15 0.04 0.00 0.00 177.00 178.46 3i0r s LYS 388 N -4.58 4.49 0.15 4.56 1.02 0.16 -4.81 119.74 120.72 3i0r s LYS 388 Ca 0.45 1.70 -0.01 0.00 0.02 0.00 0.00 55.97 58.12 3i0r s LYS 388 Cb -0.10 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 3i0r s LYS 388 CO 0.41 -0.16 0.33 -0.06 -0.92 0.00 0.00 175.35 174.96 3i0r s PHE 389 N 0.80 3.49 -0.16 3.18 0.40 -0.75 -0.58 117.98 124.36 3i0r s PHE 389 Ca 0.56 0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 57.23 3i0r s PHE 389 Cb -0.28 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.44 3i0r s PHE 389 CO 0.30 0.46 -0.07 0.15 0.70 0.00 0.00 175.22 176.75 3i0r s LYS 390 N -2.98 1.60 0.08 0.44 1.02 0.12 -2.42 119.74 117.60 3i0r s LYS 390 Ca 0.38 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.95 3i0r s LYS 390 Cb -0.12 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 3i0r s LYS 390 CO 0.28 -0.38 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.57 3i0r s LEU 391 N 1.61 2.23 -0.87 3.17 1.43 -0.84 -2.17 118.68 123.23 3i0r s LEU 391 Ca 0.02 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 3i0r s LEU 391 Cb -0.15 -1.14 -0.17 0.00 0.03 0.00 0.00 46.19 44.76 3i0r s LEU 391 CO -0.08 0.19 3.27 -0.81 0.23 0.00 0.00 176.35 179.14 3i0r n PRO 392 N 1.46 2.93 -3.79 1.29 -0.04 -1.26 -1.67 135.00 133.91 3i0r n PRO 392 Ca -0.18 -1.66 -0.13 0.00 -0.04 0.00 0.00 63.50 61.50 3i0r n PRO 392 Cb 0.53 -2.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.44 3i0r n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3i0r s ILE 393 N 1.58 -0.01 0.48 0.52 2.07 -1.26 -0.31 121.20 124.27 3i0r s ILE 393 Ca 0.68 0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.73 3i0r s ILE 393 Cb 0.25 -0.30 -0.08 0.00 0.13 0.00 0.00 42.46 42.46 3i0r s ILE 393 CO -0.03 0.01 1.10 -1.10 -1.91 0.00 0.00 174.94 173.01 3i0r s GLN 394 N 0.24 3.74 0.45 3.50 -1.52 -1.26 -4.45 119.66 120.35 3i0r s GLN 394 Ca -0.01 1.58 0.15 0.00 -1.95 0.00 0.00 55.36 55.13 3i0r s GLN 394 Cb -0.03 -2.25 1.09 0.00 -0.22 0.00 0.00 33.01 31.60 3i0r s GLN 394 CO -0.01 -0.52 1.99 0.87 -0.25 0.00 0.00 175.29 177.37 3i0r h LYS 395 N 1.79 0.33 0.18 2.91 1.79 -1.99 -1.82 116.57 119.76 3i0r h LYS 395 Ca -0.49 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 3i0r h LYS 395 Cb 1.24 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3i0r h LYS 395 CO 0.59 0.22 -0.09 1.49 -1.08 0.00 0.00 179.45 180.59 3i0r h GLU 396 N 0.34 -0.23 -0.72 3.15 4.81 -1.98 0.25 114.58 120.21 3i0r h GLU 396 Ca 0.26 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.67 3i0r h GLU 396 Cb 0.58 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.88 3i0r h GLU 396 CO -0.06 0.18 0.00 1.15 -0.73 0.00 0.00 179.01 179.55 3i0r h THR 397 N -0.82 0.38 -0.38 0.32 2.02 -1.89 0.62 112.91 113.17 3i0r h THR 397 Ca -0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3i0r h THR 397 Cb 0.52 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3i0r h THR 397 CO 0.04 0.02 0.13 -0.25 0.37 0.00 0.00 175.52 175.83 3i0r h TRP 398 N 0.11 0.60 -0.22 3.16 2.91 -1.22 -2.18 115.95 119.10 3i0r h TRP 398 Ca 0.39 -0.06 -0.06 0.00 1.13 0.00 0.00 58.89 60.29 3i0r h TRP 398 Cb 0.66 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 3i0r h TRP 398 CO -0.41 0.57 -0.12 1.05 -1.03 0.00 0.00 178.44 178.50 3i0r h GLU 399 N 0.47 0.36 -0.44 2.65 4.11 0.80 -2.37 114.58 120.16 3i0r h GLU 399 Ca 0.12 -0.09 -0.04 0.00 0.07 0.00 0.00 59.36 59.42 3i0r h GLU 399 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3i0r h GLU 399 CO -0.01 0.49 0.12 1.15 0.07 0.00 0.00 179.01 180.84 3i0r h THR 400 N 0.34 1.23 0.05 -1.06 2.02 0.52 -2.82 112.91 113.18 3i0r h THR 400 Ca 0.07 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3i0r h THR 400 Cb 0.42 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3i0r h THR 400 CO 0.02 0.27 -0.02 -0.25 0.37 0.00 0.00 175.52 175.92 3i0r h TRP 401 N 0.58 -0.06 -0.96 3.16 2.91 -1.12 -3.15 115.95 117.31 3i0r h TRP 401 Ca 0.14 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.26 3i0r h TRP 401 Cb 0.29 0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.89 3i0r h TRP 401 CO 0.02 0.58 0.61 0.11 -1.03 0.00 0.00 178.44 178.73 3i0r h TRP 402 N -0.82 1.07 -0.48 2.65 0.09 -1.55 -2.28 115.95 114.63 3i0r h TRP 402 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 58.89 59.03 3i0r h TRP 402 Cb 0.66 -0.34 -0.04 0.00 0.08 0.00 0.00 29.16 29.52 3i0r h TRP 402 CO 0.16 0.47 0.27 1.15 0.09 0.00 0.00 178.44 180.58 3i0r h THR 403 N 0.97 1.02 -0.51 0.12 2.02 -1.47 -2.69 112.91 112.37 3i0r h THR 403 Ca 0.45 -0.19 -0.24 0.00 0.77 0.00 0.00 66.41 67.20 3i0r h THR 403 Cb 0.41 0.43 -0.14 0.00 -1.74 0.00 0.00 68.15 67.10 3i0r h THR 403 CO -0.21 0.10 0.11 -0.62 0.37 0.00 0.00 175.52 175.27 3i0r n GLU 404 N -4.84 2.15 -3.79 6.66 1.02 -0.93 -4.97 120.64 115.94 3i0r n GLU 404 Ca 0.03 -3.11 -0.37 0.00 -0.02 0.00 0.00 57.16 53.69 3i0r n GLU 404 Cb 0.09 -1.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.52 3i0r n GLU 404 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3i0r s TYR 405 N -3.20 3.61 0.48 -0.32 5.04 -0.90 -4.97 117.35 117.08 3i0r s TYR 405 Ca 0.48 0.61 0.13 0.00 -2.44 0.00 0.00 57.07 55.85 3i0r s TYR 405 Cb 0.42 -2.03 1.11 0.00 0.35 0.00 0.00 41.96 41.82 3i0r s TYR 405 CO 0.04 0.69 2.10 0.11 -1.34 0.00 0.00 175.55 177.15 3i0r h TRP 406 N 5.06 0.16 -3.11 4.97 5.08 -1.91 -3.43 115.95 122.77 3i0r h TRP 406 Ca -0.53 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 58.85 3i0r h TRP 406 Cb 1.22 -0.05 -0.05 0.00 -3.00 0.00 0.00 29.16 27.28 3i0r h TRP 406 CO 0.74 0.12 -0.20 -1.14 -1.28 0.00 0.00 178.44 176.68 3i0r s GLN 407 N -5.15 3.87 0.62 0.12 0.74 -1.26 -5.06 119.66 113.53 3i0r s GLN 407 Ca -0.06 0.34 -0.17 0.00 0.05 0.00 0.00 55.36 55.52 3i0r s GLN 407 Cb 0.17 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 31.18 3i0r s GLN 407 CO 0.69 0.60 1.14 0.00 -0.55 0.00 0.00 175.29 177.17 3i0r s ALA 408 N -1.28 2.51 0.24 1.58 0.00 -1.26 -5.03 121.76 118.52 3i0r s ALA 408 Ca 0.30 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 3i0r s ALA 408 Cb -0.15 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.63 3i0r s ALA 408 CO 0.16 -1.16 0.72 -0.08 0.00 0.00 0.00 175.76 175.41 3i0r s THR 409 N -2.00 0.00 0.00 0.00 -1.32 -1.26 -5.17 115.64 105.89 3i0r s THR 409 Ca 0.71 -0.76 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 3i0r s THR 409 Cb -0.24 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 3i0r s THR 409 CO 0.36 0.00 0.00 1.87 -2.21 0.00 0.00 174.62 174.64 3i0r n TRP 410 N -0.44 0.00 -2.63 9.09 -0.00 -1.26 -5.14 117.44 117.06 3i0r n TRP 410 Ca -0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.02 3i0r n TRP 410 Cb 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.87 3i0r n TRP 410 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3i0r s ILE 411 N 0.00 4.29 0.66 5.87 1.01 -1.26 -5.07 121.20 126.69 3i0r s ILE 411 Ca 0.00 1.87 -0.11 0.00 0.00 0.00 0.00 60.65 62.41 3i0r s ILE 411 Cb 0.00 -4.19 0.17 0.00 0.01 0.00 0.00 42.46 38.44 3i0r s ILE 411 CO 0.00 0.27 0.47 -0.81 0.00 0.00 0.00 174.94 174.87 3i0r n PRO 412 N 2.86 -2.78 -1.61 2.79 -0.04 -1.26 -4.86 135.00 130.10 3i0r n PRO 412 Ca 0.03 -0.77 -0.58 0.00 -0.04 0.00 0.00 63.50 62.15 3i0r n PRO 412 Cb 0.48 -0.86 -0.08 0.00 -0.04 0.00 0.00 33.50 33.01 3i0r n PRO 412 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i0r n GLU 413 N -3.51 0.58 -3.99 0.54 2.13 -1.26 -4.86 120.64 110.27 3i0r n GLU 413 Ca 0.07 0.21 -0.11 0.00 0.66 0.00 0.00 57.16 57.99 3i0r n GLU 413 Cb 0.29 -1.79 -0.03 0.00 0.27 0.00 0.00 31.44 30.17 3i0r n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3i0r s TRP 414 N 1.33 0.53 -0.04 4.31 1.48 -1.26 -1.81 118.94 123.48 3i0r s TRP 414 Ca 0.93 -0.92 -0.04 0.00 -1.06 0.00 0.00 56.10 55.01 3i0r s TRP 414 Cb -1.17 0.24 0.01 0.00 -1.16 0.00 0.00 33.47 31.39 3i0r s TRP 414 CO 0.60 -1.16 0.11 -1.21 -4.06 0.00 0.00 176.95 171.23 3i0r s GLU 415 N -3.36 0.14 0.54 3.25 2.02 -1.02 -4.98 118.70 115.29 3i0r s GLU 415 Ca 0.23 0.14 -0.22 0.00 0.02 0.00 0.00 54.97 55.14 3i0r s GLU 415 Cb -0.02 0.07 -0.05 0.00 0.10 0.00 0.00 34.13 34.23 3i0r s GLU 415 CO 0.13 -0.02 1.36 0.12 0.02 0.00 0.00 175.26 176.88 3i0r s PHE 416 N 0.01 2.30 -0.01 1.61 5.36 -1.26 -1.98 117.98 124.01 3i0r s PHE 416 Ca -0.01 1.36 -0.01 0.00 -0.96 0.00 0.00 56.93 57.32 3i0r s PHE 416 Cb -0.01 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 3i0r s PHE 416 CO 0.00 -2.90 0.02 0.54 -1.46 0.00 0.00 175.22 171.42 3i0r s VAL 417 N -1.30 0.00 -1.18 3.12 0.11 -0.67 -4.79 120.40 115.70 3i0r s VAL 417 Ca 0.71 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.62 3i0r s VAL 417 Cb -0.41 -0.05 0.22 0.00 -1.53 0.00 0.00 36.38 34.61 3i0r s VAL 417 CO 0.48 -0.02 1.39 -3.20 -3.33 0.00 0.00 175.10 170.43 3i0r n ASN 418 N 3.02 5.43 -3.79 3.54 2.85 -1.26 -4.16 115.26 120.89 3i0r n ASN 418 Ca -0.12 -3.06 -0.29 0.00 -0.11 0.00 0.00 54.58 50.99 3i0r n ASN 418 Cb 0.60 -1.46 -0.15 0.00 1.24 0.00 0.00 39.78 40.00 3i0r n ASN 418 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3i0r s THR 419 N 0.00 1.00 0.68 -0.44 -4.23 -1.26 -5.11 115.64 106.28 3i0r s THR 419 Ca 0.37 -1.24 -0.17 0.00 -1.18 0.00 0.00 61.69 59.48 3i0r s THR 419 Cb -0.03 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.21 3i0r s THR 419 CO -0.01 -0.46 1.23 -2.84 -0.54 0.00 0.00 174.62 171.99 3i0r s PRO 420 N 1.59 2.45 0.34 3.99 0.02 -1.26 -4.26 135.00 137.86 3i0r s PRO 420 Ca 0.05 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 3i0r s PRO 420 Cb -0.18 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.37 3i0r s PRO 420 CO -0.17 -1.62 1.48 -1.25 -0.33 0.00 0.00 177.00 175.11 3i0r s PRO 421 N -3.65 4.16 0.53 5.54 0.04 -1.26 -4.95 135.00 135.41 3i0r s PRO 421 Ca 0.77 2.49 -0.16 0.00 0.04 0.00 0.00 61.00 64.14 3i0r s PRO 421 Cb -0.31 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 3i0r s PRO 421 CO 0.41 -0.49 1.00 -0.51 0.04 0.00 0.00 177.00 177.44 3i0r s LEU 422 N -1.54 3.59 -0.12 -3.56 1.02 -1.26 -4.69 118.68 112.12 3i0r s LEU 422 Ca 0.55 1.59 -0.19 0.00 0.02 0.00 0.00 54.13 56.10 3i0r s LEU 422 Cb -0.45 -4.51 -0.04 0.00 0.02 0.00 0.00 46.19 41.21 3i0r s LEU 422 CO 0.56 -0.67 0.53 -0.69 0.02 0.00 0.00 176.35 176.11 3i0r s VAL 423 N -2.63 5.15 0.12 -1.59 1.01 0.58 -5.04 120.40 118.00 3i0r s VAL 423 Ca 0.59 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 3i0r s VAL 423 Cb -0.11 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3i0r s VAL 423 CO 0.33 0.28 0.15 -1.59 0.00 0.00 0.00 175.10 174.27 3i0r s LYS 424 N 0.83 0.93 -0.13 2.72 -2.85 -1.26 -4.58 119.74 115.40 3i0r s LYS 424 Ca 0.28 -1.21 -0.27 0.00 -1.00 0.00 0.00 55.97 53.77 3i0r s LYS 424 Cb -0.16 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 35.90 3i0r s LYS 424 CO 0.12 -0.29 0.90 -0.51 0.10 0.00 0.00 175.35 175.67 3i0r s LEU 425 N -2.96 4.22 0.00 2.77 2.01 -1.26 -4.75 118.68 118.71 3i0r s LEU 425 Ca 0.15 1.34 0.15 0.00 0.01 0.00 0.00 54.13 55.78 3i0r s LEU 425 Cb 0.06 -3.37 0.91 0.00 0.01 0.00 0.00 46.19 43.80 3i0r s LEU 425 CO -0.04 -0.40 1.59 0.79 1.01 0.00 0.00 176.35 179.30 3i0r n TRP 426 N 5.03 0.00 0.00 0.29 7.02 -1.26 -4.83 117.44 123.69 3i0r n TRP 426 Ca 0.06 -0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3i0r n TRP 426 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 3i0r n TRP 426 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 3i0r n TYR 427 N -0.73 0.00 -3.11 -5.99 4.11 -1.26 -4.67 117.16 105.50 3i0r n TYR 427 Ca 0.11 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.80 3i0r n TYR 427 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.40 3i0r n TYR 427 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3i0r s GLN 428 N -1.21 3.08 0.06 -3.48 -1.52 -1.26 -4.98 119.66 110.34 3i0r s GLN 428 Ca 0.00 -0.63 0.09 0.00 -1.95 0.00 0.00 55.36 52.88 3i0r s GLN 428 Cb 0.00 -2.63 -0.03 0.00 -0.22 0.00 0.00 33.01 30.13 3i0r s GLN 428 CO 0.00 -0.18 -0.26 -0.51 -0.25 0.00 0.00 175.29 174.08 3i0r s LEU 429 N -4.46 2.20 0.58 2.90 1.02 -1.26 -4.76 118.68 114.90 3i0r s LEU 429 Ca 0.47 -0.61 -0.19 0.00 0.02 0.00 0.00 54.13 53.82 3i0r s LEU 429 Cb -0.10 -1.29 -0.05 0.00 0.02 0.00 0.00 46.19 44.77 3i0r s LEU 429 CO 0.36 0.25 1.01 -0.62 0.02 0.00 0.00 176.35 177.36 3i0r n GLU 430 N 1.66 1.00 0.05 1.70 -0.58 0.41 -4.93 120.64 119.94 3i0r n GLU 430 Ca -0.17 0.38 -0.06 0.00 -0.42 0.00 0.00 57.16 56.89 3i0r n GLU 430 Cb 0.52 -2.19 -0.11 0.00 -0.57 0.00 0.00 31.44 29.09 3i0r n GLU 430 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3i0r h LYS 431 N 0.66 0.00 -5.66 3.49 1.79 -2.00 -3.45 116.57 111.40 3i0r h LYS 431 Ca -0.48 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.52 3i0r h LYS 431 Cb 1.36 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.83 3i0r h LYS 431 CO 0.52 0.81 -0.77 -1.21 -1.08 0.00 0.00 179.45 177.72 3i0r s GLU 432 N -2.72 1.14 0.55 3.15 0.41 -1.26 -5.10 118.70 114.87 3i0r s GLU 432 Ca -0.00 -1.32 -0.21 0.00 -0.41 0.00 0.00 54.97 53.03 3i0r s GLU 432 Cb 0.09 -1.10 -0.05 0.00 -1.78 0.00 0.00 34.13 31.29 3i0r s GLU 432 CO 0.81 0.22 1.16 -2.30 -0.49 0.00 0.00 175.26 174.66 3i0r n PRO 433 N 0.42 1.32 -3.35 0.39 -0.02 -1.26 -4.81 135.00 127.68 3i0r n PRO 433 Ca -0.14 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 3i0r n PRO 433 Cb 0.57 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 3i0r n PRO 433 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i0r s ILE 434 N -1.37 5.12 0.13 4.25 1.01 -1.26 -5.05 121.20 124.03 3i0r s ILE 434 Ca 0.72 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.24 3i0r s ILE 434 Cb -0.44 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 3i0r s ILE 434 CO 0.49 -0.11 1.47 -0.69 0.00 0.00 0.00 174.94 176.11 3i0r s VAL 435 N 2.13 3.03 -0.61 2.92 1.01 -1.26 -3.83 120.40 123.80 3i0r s VAL 435 Ca 0.14 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.82 3i0r s VAL 435 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3i0r s VAL 435 CO 0.12 0.05 0.61 0.61 0.00 0.00 0.00 175.10 176.49 3i0r n GLY 436 N 3.62 -1.16 3.64 4.51 0.00 -1.26 -5.06 105.19 109.48 3i0r n GLY 436 Ca 0.13 0.53 -0.06 0.00 0.00 0.00 0.00 46.02 46.61 3i0r n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i0r s ALA 437 N -2.90 -2.08 0.39 4.61 0.00 -1.25 -5.07 121.76 115.46 3i0r s ALA 437 Ca 0.04 1.77 -0.28 0.00 0.00 0.00 0.00 51.96 53.50 3i0r s ALA 437 Cb -0.01 -1.53 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 3i0r s ALA 437 CO 0.67 -0.19 1.44 -2.00 0.00 0.00 0.00 175.76 175.69 3i0r s GLU 438 N -0.05 4.06 -0.51 0.00 2.12 -1.26 -4.58 118.70 118.47 3i0r s GLU 438 Ca 0.05 2.47 -0.16 0.00 0.36 0.00 0.00 54.97 57.70 3i0r s GLU 438 Cb -0.04 -2.91 0.11 0.00 0.26 0.00 0.00 34.13 31.54 3i0r s GLU 438 CO -0.10 -0.54 0.45 0.99 -0.54 0.00 0.00 175.26 175.53 3i0r s THR 439 N -1.15 5.18 -0.10 -1.70 2.01 -1.26 -0.51 115.64 118.11 3i0r s THR 439 Ca 0.54 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 3i0r s THR 439 Cb -0.45 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 67.82 3i0r s THR 439 CO 0.60 -0.75 1.04 -0.36 -0.69 0.00 0.00 174.62 174.46 3i0r s PHE 440 N 1.61 3.45 -0.39 4.92 0.40 -0.60 -2.12 117.98 125.24 3i0r s PHE 440 Ca 0.03 1.52 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 3i0r s PHE 440 Cb -0.28 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.03 3i0r s PHE 440 CO 0.04 -0.43 0.35 0.71 0.70 0.00 0.00 175.22 176.59 3i0r s TYR 441 N 2.12 3.21 0.18 0.36 1.51 -1.01 -0.84 117.35 122.87 3i0r s TYR 441 Ca 0.49 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.23 3i0r s TYR 441 Cb -0.19 -2.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 3i0r s TYR 441 CO 0.18 -0.56 0.29 0.14 -1.11 0.00 0.00 175.55 174.48 3i0r s VAL 442 N 1.90 5.21 0.18 0.71 -7.23 -1.08 -1.13 120.40 118.96 3i0r s VAL 442 Ca 0.09 -0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 59.29 3i0r s VAL 442 Cb -0.18 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.05 3i0r s VAL 442 CO 0.12 -0.17 0.43 -0.62 -0.31 0.00 0.00 175.10 174.55 3i0r s ASP 443 N -3.45 -0.14 -0.15 4.85 3.68 -0.07 -4.57 116.67 116.82 3i0r s ASP 443 Ca 0.34 -0.62 -0.12 0.00 2.13 0.00 0.00 52.55 54.29 3i0r s ASP 443 Cb -0.10 0.52 0.05 0.00 -1.45 0.00 0.00 42.92 41.93 3i0r s ASP 443 CO 0.28 -0.98 0.39 -0.83 0.13 0.00 0.00 175.17 174.15 3i0r s GLY 444 N -2.90 -0.29 0.22 2.66 0.00 -1.26 -2.13 107.32 103.61 3i0r s GLY 444 Ca 0.12 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.07 3i0r s GLY 444 CO -0.02 1.21 0.14 0.00 0.00 0.00 0.00 173.10 174.43 3i0r s ALA 445 N 0.67 1.34 -0.28 3.20 0.00 -0.91 -4.68 121.76 121.10 3i0r s ALA 445 Ca -0.04 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.01 3i0r s ALA 445 Cb -0.05 1.34 0.10 0.00 0.00 0.00 0.00 23.12 24.51 3i0r s ALA 445 CO -0.04 -0.58 0.74 0.00 0.00 0.00 0.00 175.76 175.88 3i0r s ALA 446 N -4.02 -1.97 -0.42 0.00 0.00 -1.26 -3.31 121.76 110.79 3i0r s ALA 446 Ca 0.39 2.38 -0.29 0.00 0.00 0.00 0.00 51.96 54.44 3i0r s ALA 446 Cb 0.07 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.69 3i0r s ALA 446 CO 0.14 -0.43 1.23 1.21 0.00 0.00 0.00 175.76 177.91 3i0r s ASN 447 N 1.71 6.59 0.59 0.00 3.84 0.11 -4.77 114.94 123.01 3i0r s ASN 447 Ca -0.09 0.72 0.29 0.00 0.21 0.00 0.00 52.86 53.98 3i0r s ASN 447 Cb -0.05 -2.55 1.39 0.00 -0.55 0.00 0.00 41.25 39.49 3i0r s ASN 447 CO -0.19 -1.24 1.78 0.03 -2.79 0.00 0.00 177.10 174.69 3i0r h ARG 448 N 9.52 0.00 0.00 0.43 3.08 -1.95 0.85 114.38 126.31 3i0r h ARG 448 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3i0r h ARG 448 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3i0r h ARG 448 CO 1.10 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.39 3i0r n GLU 449 N -3.63 0.00 -0.03 0.04 -0.58 -1.26 -4.36 120.64 110.81 3i0r n GLU 449 Ca 0.12 0.03 0.23 0.00 -0.42 0.00 0.00 57.16 57.12 3i0r n GLU 449 Cb 0.86 -0.35 0.72 0.00 -0.57 0.00 0.00 31.44 32.09 3i0r n GLU 449 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3i0r h THR 450 N 0.00 0.55 0.00 2.62 1.35 -1.98 -3.44 112.91 112.01 3i0r h THR 450 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3i0r h THR 450 Cb 0.00 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 3i0r h THR 450 CO 0.00 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.44 3i0r n LYS 451 N -4.11 -0.37 -2.98 4.72 3.00 0.30 -4.94 118.16 113.78 3i0r n LYS 451 Ca 0.12 0.09 -0.30 0.00 -0.00 0.00 0.00 58.31 58.22 3i0r n LYS 451 Cb 0.73 -3.49 -0.04 0.00 0.00 0.00 0.00 35.03 32.24 3i0r n LYS 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i0r s LEU 452 N 0.00 3.90 0.03 3.14 1.43 -1.26 -1.76 118.68 124.17 3i0r s LEU 452 Ca 0.00 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3i0r s LEU 452 Cb 0.00 -3.94 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 3i0r s LEU 452 CO 0.00 -0.34 -0.05 -0.83 0.23 0.00 0.00 176.35 175.37 3i0r s GLY 453 N -3.04 0.34 -0.11 -3.19 0.00 0.36 -0.71 107.32 100.97 3i0r s GLY 453 Ca 0.50 -0.67 -0.13 0.00 0.00 0.00 0.00 44.72 44.42 3i0r s GLY 453 CO 0.29 -0.74 0.29 0.54 0.00 0.00 0.00 173.10 173.48 3i0r s LYS 454 N -1.61 3.98 -0.03 2.90 1.02 -1.21 0.04 119.74 124.84 3i0r s LYS 454 Ca -0.13 0.13 0.05 0.00 0.02 0.00 0.00 55.97 56.04 3i0r s LYS 454 Cb -0.09 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3i0r s LYS 454 CO -0.01 0.48 -0.17 0.00 -0.92 0.00 0.00 175.35 174.73 3i0r s ALA 455 N -0.28 1.48 -0.09 5.17 0.00 -0.38 -2.13 121.76 125.53 3i0r s ALA 455 Ca 0.18 -0.71 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 3i0r s ALA 455 Cb -0.14 -0.44 0.09 0.00 0.00 0.00 0.00 23.12 22.64 3i0r s ALA 455 CO 0.06 0.31 1.26 0.41 0.00 0.00 0.00 175.76 177.80 3i0r n GLY 456 N 2.91 0.10 3.29 0.00 0.00 -0.91 -0.03 105.19 110.56 3i0r n GLY 456 Ca -0.16 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 3i0r n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i0r s TYR 457 N -2.00 0.11 -0.19 1.61 -0.85 -0.98 -0.89 117.35 114.15 3i0r s TYR 457 Ca 0.30 -0.49 -0.04 0.00 -0.52 0.00 0.00 57.07 56.31 3i0r s TYR 457 Cb -0.00 0.05 0.07 0.00 0.38 0.00 0.00 41.96 42.45 3i0r s TYR 457 CO -0.03 -0.65 0.08 0.14 -1.52 0.00 0.00 175.55 173.57 3i0r s VAL 458 N -3.88 0.09 0.00 -3.49 -7.23 -0.29 -1.68 120.40 103.93 3i0r s VAL 458 Ca 0.08 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3i0r s VAL 458 Cb 0.03 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.21 3i0r s VAL 458 CO -0.08 -0.33 0.00 0.35 -0.31 0.00 0.00 175.10 174.73 3i0r n THR 459 N 5.21 0.00 0.03 5.32 -2.24 -1.02 -2.41 114.28 119.17 3i0r n THR 459 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3i0r n THR 459 Cb 0.48 -1.69 -0.00 0.00 -2.10 0.00 0.00 70.33 67.01 3i0r n THR 459 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i0r n ASN 460 N -1.03 0.56 -1.73 3.42 6.94 -0.90 -3.98 115.26 118.54 3i0r n ASN 460 Ca 0.00 -0.78 -0.11 0.00 -0.02 0.00 0.00 54.58 53.67 3i0r n ASN 460 Cb 0.00 0.49 0.03 0.00 -2.36 0.00 0.00 39.78 37.93 3i0r n ASN 460 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3i0r n ARG 461 N -0.47 1.52 -1.27 -3.83 1.85 -1.26 -4.88 116.66 108.32 3i0r n ARG 461 Ca 0.00 -1.03 -0.10 0.00 -1.00 0.00 0.00 57.85 55.73 3i0r n ARG 461 Cb 0.01 -1.40 -0.04 0.00 -1.05 0.00 0.00 32.46 29.98 3i0r n ARG 461 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i0r n GLY 462 N 0.68 0.97 3.82 2.89 0.00 -1.26 -4.94 105.19 107.36 3i0r n GLY 462 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3i0r n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i0r s ARG 463 N -2.81 1.68 -0.09 1.61 3.52 -1.26 -4.90 118.95 116.70 3i0r s ARG 463 Ca 0.00 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.64 3i0r s ARG 463 Cb 0.00 -1.90 0.11 0.00 -1.56 0.00 0.00 34.95 31.60 3i0r s ARG 463 CO 0.00 -1.84 0.91 -1.14 -0.81 0.00 0.00 175.30 172.42 3i0r s GLN 464 N -5.33 0.75 0.13 5.12 0.74 -1.26 -2.43 119.66 117.38 3i0r s GLN 464 Ca 0.62 0.02 -0.13 0.00 0.05 0.00 0.00 55.36 55.93 3i0r s GLN 464 Cb -0.14 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.34 3i0r s GLN 464 CO 0.52 -0.27 0.33 0.21 -0.55 0.00 0.00 175.29 175.54 3i0r s LYS 465 N -1.75 1.06 0.09 1.67 2.20 -0.68 -5.01 119.74 117.33 3i0r s LYS 465 Ca -0.01 -0.89 -0.13 0.00 -0.36 0.00 0.00 55.97 54.58 3i0r s LYS 465 Cb -0.01 0.42 0.02 0.00 -1.51 0.00 0.00 37.83 36.75 3i0r s LYS 465 CO -0.00 -0.40 0.29 0.08 -0.36 0.00 0.00 175.35 174.96 3i0r s VAL 466 N -3.86 0.10 0.21 4.02 1.01 -1.26 -2.32 120.40 118.30 3i0r s VAL 466 Ca 0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 3i0r s VAL 466 Cb 0.03 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.25 3i0r s VAL 466 CO -0.08 -0.47 0.54 -0.69 0.00 0.00 0.00 175.10 174.40 3i0r s VAL 467 N -3.54 0.02 0.02 2.92 1.01 0.96 -4.93 120.40 116.87 3i0r s VAL 467 Ca 0.02 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3i0r s VAL 467 Cb 0.02 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3i0r s VAL 467 CO -0.10 -0.09 -0.19 -0.89 0.00 0.00 0.00 175.10 173.84 3i0r s THR 468 N -3.89 1.50 -0.04 3.92 2.01 -1.26 -1.25 115.64 116.64 3i0r s THR 468 Ca 0.10 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3i0r s THR 468 Cb -0.02 -1.29 0.03 0.00 0.01 0.00 0.00 72.50 71.23 3i0r s THR 468 CO -0.01 0.24 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.40 3i0r s LEU 469 N -0.91 1.01 -0.01 4.42 1.43 0.11 -4.96 118.68 119.76 3i0r s LEU 469 Ca 0.06 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3i0r s LEU 469 Cb -0.08 -0.29 -0.26 0.00 0.03 0.00 0.00 46.19 45.59 3i0r s LEU 469 CO 0.01 -0.12 0.78 0.71 0.23 0.00 0.00 176.35 177.96 3i0r h THR 470 N 6.25 1.06 -2.33 5.49 1.35 -1.86 0.10 112.91 122.97 3i0r h THR 470 Ca -0.35 -2.77 -0.56 0.00 -0.55 0.00 0.00 66.41 62.17 3i0r h THR 470 Cb 1.13 2.65 -0.37 0.00 -1.73 0.00 0.00 68.15 69.83 3i0r h THR 470 CO 0.41 0.76 -0.93 -0.62 -0.25 0.00 0.00 175.52 174.89 3i0r s ASP 471 N -6.75 1.55 0.05 5.36 2.15 -1.25 -4.03 116.67 113.76 3i0r s ASP 471 Ca -0.09 -2.82 0.01 0.00 0.43 0.00 0.00 52.55 50.08 3i0r s ASP 471 Cb 0.07 -0.30 -0.00 0.00 -0.30 0.00 0.00 42.92 42.39 3i0r s ASP 471 CO 0.83 -0.19 0.04 0.35 -0.17 0.00 0.00 175.17 176.03 3i0r n THR 472 N 3.10 0.00 -4.30 1.71 -2.24 -0.72 -5.06 114.28 106.76 3i0r n THR 472 Ca 0.26 -0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 3i0r n THR 472 Cb 0.46 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 3i0r n THR 472 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i0r s THR 473 N -2.10 0.66 0.19 4.28 -4.23 -1.26 -4.75 115.64 108.42 3i0r s THR 473 Ca 0.05 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.40 3i0r s THR 473 Cb 0.00 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.53 3i0r s THR 473 CO 0.04 -0.16 1.63 0.78 -0.54 0.00 0.00 174.62 176.37 3i0r h ASN 474 N 2.47 -0.62 -0.05 3.99 -0.26 -1.86 0.31 115.58 119.55 3i0r h ASN 474 Ca -0.38 0.17 0.03 0.00 -0.56 0.00 0.00 56.30 55.56 3i0r h ASN 474 Cb 1.23 0.37 -0.04 0.00 -1.06 0.00 0.00 38.32 38.82 3i0r h ASN 474 CO 0.62 -0.21 -0.20 1.56 -1.06 0.00 0.00 177.43 178.14 3i0r h GLN 475 N -0.06 -0.28 -0.55 0.81 4.20 -1.96 -1.15 115.11 116.13 3i0r h GLN 475 Ca 0.24 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.03 3i0r h GLN 475 Cb 0.43 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 3i0r h GLN 475 CO -0.55 -0.19 0.26 0.87 -0.67 0.00 0.00 178.83 178.56 3i0r h LYS 476 N -0.29 0.49 -0.55 1.46 1.57 -1.83 -2.08 116.57 115.33 3i0r h LYS 476 Ca 0.07 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3i0r h LYS 476 Cb 0.39 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 3i0r h LYS 476 CO -0.22 0.32 0.28 1.79 -0.57 0.00 0.00 179.45 181.06 3i0r h THR 477 N 0.50 0.95 -0.14 -0.16 1.35 0.19 -1.56 112.91 114.04 3i0r h THR 477 Ca 0.25 -0.19 -0.10 0.00 -0.55 0.00 0.00 66.41 65.83 3i0r h THR 477 Cb 0.20 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.96 3i0r h THR 477 CO -0.19 0.10 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.50 3i0r h GLU 478 N 0.54 0.29 -0.63 4.72 5.08 -0.67 0.65 114.58 124.57 3i0r h GLU 478 Ca 0.25 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3i0r h GLU 478 Cb 0.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3i0r h GLU 478 CO -0.17 0.61 0.04 -0.07 -1.00 0.00 0.00 179.01 178.41 3i0r h LEU 479 N 0.25 1.05 -0.82 1.33 4.07 -1.17 -2.98 115.31 117.05 3i0r h LEU 479 Ca 0.03 -0.28 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 3i0r h LEU 479 Cb 0.74 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.16 3i0r h LEU 479 CO 0.06 1.08 0.42 -0.61 -1.08 0.00 0.00 178.44 178.31 3i0r h GLN 480 N 1.00 1.15 0.85 1.13 5.75 0.04 -0.56 115.11 124.47 3i0r h GLN 480 Ca 0.18 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3i0r h GLN 480 Cb 0.52 -0.22 0.01 0.00 1.07 0.00 0.00 27.48 28.86 3i0r h GLN 480 CO 0.02 0.87 -0.41 0.00 -2.65 0.00 0.00 178.83 176.67 3i0r h ALA 481 N 1.22 -1.14 -0.81 3.38 0.00 -0.95 -0.27 119.26 120.69 3i0r h ALA 481 Ca 0.28 -0.25 0.23 0.00 0.00 0.00 0.00 54.91 55.17 3i0r h ALA 481 Cb 0.07 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3i0r h ALA 481 CO -0.04 -1.12 0.58 0.82 0.00 0.00 0.00 179.25 179.48 3i0r h ILE 482 N -1.18 0.62 0.02 0.00 2.04 -1.37 1.00 117.51 118.63 3i0r h ILE 482 Ca -0.12 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 3i0r h ILE 482 Cb 0.88 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3i0r h ILE 482 CO 0.19 0.01 -0.01 0.22 0.00 0.00 0.00 178.15 178.56 3i0r h TYR 483 N 0.07 -0.03 0.36 1.37 3.20 -0.55 -1.81 116.97 119.59 3i0r h TYR 483 Ca 0.39 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 3i0r h TYR 483 Cb 1.46 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.71 3i0r h TYR 483 CO -0.00 0.38 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.38 3i0r h LEU 484 N -0.44 -1.27 -1.98 2.82 3.38 0.90 -1.27 115.31 117.46 3i0r h LEU 484 Ca -0.00 0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.32 3i0r h LEU 484 Cb 0.42 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3i0r h LEU 484 CO 0.00 -0.59 0.60 0.00 0.09 0.00 0.00 178.44 178.55 3i0r h ALA 485 N -0.56 2.77 0.00 1.53 0.00 -1.08 0.43 119.26 122.35 3i0r h ALA 485 Ca -0.03 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3i0r h ALA 485 Cb 0.78 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3i0r h ALA 485 CO -0.12 -1.01 -0.87 -0.07 0.00 0.00 0.00 179.25 177.19 3i0r h LEU 486 N 0.02 0.02 -0.18 0.00 3.38 -0.64 -3.31 115.31 114.59 3i0r h LEU 486 Ca 0.40 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.17 3i0r h LEU 486 Cb 1.58 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.33 3i0r h LEU 486 CO -0.01 0.88 -0.59 1.56 0.09 0.00 0.00 178.44 180.37 3i0r h GLN 487 N 0.01 0.72 -1.22 1.13 4.20 0.98 -3.37 115.11 117.55 3i0r h GLN 487 Ca -0.01 -0.53 -0.55 0.00 0.06 0.00 0.00 58.65 57.62 3i0r h GLN 487 Cb 1.54 0.09 -0.23 0.00 0.30 0.00 0.00 27.48 29.18 3i0r h GLN 487 CO 0.11 1.15 0.71 -0.25 -0.67 0.00 0.00 178.83 179.89 3i0r n ASP 488 N -4.08 7.25 0.00 1.46 9.92 -0.75 -4.30 116.55 126.05 3i0r n ASP 488 Ca -0.07 -3.52 0.00 0.00 -0.53 0.00 0.00 54.79 50.67 3i0r n ASP 488 Cb 0.65 -1.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 3i0r n ASP 488 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3i0r n SER 489 N -0.43 0.00 -0.89 -2.24 3.41 -1.26 -5.03 113.62 107.18 3i0r n SER 489 Ca 0.51 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 3i0r n SER 489 Cb 0.62 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 3i0r n SER 489 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i0r n GLY 490 N 0.00 -1.18 0.00 5.00 0.00 -1.26 -4.45 105.19 103.30 3i0r n GLY 490 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3i0r n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i0r n LEU 491 N -2.88 0.00 -4.52 0.99 4.32 -1.26 -4.43 117.00 109.22 3i0r n LEU 491 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.69 3i0r n LEU 491 Cb 0.59 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.28 3i0r n LEU 491 CO 0.01 0.00 -0.46 -1.61 -1.22 0.00 0.00 177.39 174.11 3i0r s GLU 492 N -1.29 1.89 -0.28 3.23 2.02 -1.26 -0.73 118.70 122.28 3i0r s GLU 492 Ca 0.00 -1.20 -0.25 0.00 0.02 0.00 0.00 54.97 53.53 3i0r s GLU 492 Cb 0.00 -2.14 0.13 0.00 0.10 0.00 0.00 34.13 32.22 3i0r s GLU 492 CO 0.00 0.47 1.09 0.08 0.02 0.00 0.00 175.26 176.91 3i0r s VAL 493 N -1.35 0.00 -0.04 2.63 1.01 -1.06 -4.48 120.40 117.12 3i0r s VAL 493 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 3i0r s VAL 493 Cb -0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3i0r s VAL 493 CO 0.12 0.00 0.14 0.20 0.00 0.00 0.00 175.10 175.57 3i0r s ASN 494 N 0.14 6.19 -0.07 3.32 0.01 0.33 -2.85 114.94 122.01 3i0r s ASN 494 Ca 0.04 0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.52 3i0r s ASN 494 Cb -0.05 -1.92 0.02 0.00 0.41 0.00 0.00 41.25 39.71 3i0r s ASN 494 CO -0.07 0.30 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.12 3i0r s ILE 495 N -1.21 0.86 -0.29 0.60 1.01 -0.54 -1.56 121.20 120.06 3i0r s ILE 495 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3i0r s ILE 495 Cb -0.12 -0.86 0.07 0.00 0.01 0.00 0.00 42.46 41.56 3i0r s ILE 495 CO 0.14 0.31 -0.04 0.54 0.00 0.00 0.00 174.94 175.89 3i0r s VAL 496 N 1.20 2.43 0.30 2.92 0.11 -0.02 -1.57 120.40 125.76 3i0r s VAL 496 Ca -0.05 -1.75 0.06 0.00 -2.93 0.00 0.00 61.98 57.30 3i0r s VAL 496 Cb -0.14 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.18 3i0r s VAL 496 CO -0.02 -0.20 0.38 0.28 -3.33 0.00 0.00 175.10 172.21 3i0r s THR 497 N 1.09 4.39 -0.25 5.04 -1.32 -0.45 -2.63 115.64 121.52 3i0r s THR 497 Ca -0.03 -1.10 0.09 0.00 -1.21 0.00 0.00 61.69 59.44 3i0r s THR 497 Cb -0.20 -3.51 0.44 0.00 -1.51 0.00 0.00 72.50 67.72 3i0r s THR 497 CO -0.05 -0.23 1.21 -0.90 -2.21 0.00 0.00 174.62 172.44 3i0r n ASP 498 N -1.47 3.08 -4.18 8.08 5.75 -1.26 -2.42 116.55 124.12 3i0r n ASP 498 Ca -0.04 -3.84 -0.39 0.00 -0.01 0.00 0.00 54.79 50.51 3i0r n ASP 498 Cb 0.58 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 40.12 3i0r n ASP 498 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3i0r s SER 499 N -3.38 5.56 0.35 -1.12 0.15 -1.26 -4.71 113.70 109.29 3i0r s SER 499 Ca 0.44 -1.97 0.02 0.00 0.70 0.00 0.00 55.95 55.14 3i0r s SER 499 Cb 0.39 -1.95 0.63 0.00 -1.71 0.00 0.00 66.02 63.38 3i0r s SER 499 CO -0.02 -0.64 1.99 -0.61 1.20 0.00 0.00 173.24 175.16 3i0r h GLN 500 N 8.30 0.79 0.38 5.44 4.15 -1.92 -0.86 115.11 131.39 3i0r h GLN 500 Ca -0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 3i0r h GLN 500 Cb 1.06 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 3i0r h GLN 500 CO 0.81 0.55 -0.34 -0.92 -1.93 0.00 0.00 178.83 177.00 3i0r h TYR 501 N 0.81 -0.94 -0.96 3.99 3.20 -1.99 0.26 116.97 121.33 3i0r h TYR 501 Ca 0.21 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3i0r h TYR 501 Cb -0.04 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 3i0r h TYR 501 CO 0.00 -0.46 0.62 0.00 -1.64 0.00 0.00 178.16 176.68 3i0r h ALA 502 N -1.23 1.33 0.43 1.82 0.00 -1.89 -2.24 119.26 117.47 3i0r h ALA 502 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i0r h ALA 502 Cb 0.60 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3i0r h ALA 502 CO -0.02 0.40 -0.34 1.25 0.00 0.00 0.00 179.25 180.55 3i0r h LEU 503 N 1.13 -0.88 -0.42 0.00 6.46 -0.77 -1.75 115.31 119.08 3i0r h LEU 503 Ca 0.42 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 58.30 3i0r h LEU 503 Cb 0.16 0.28 -0.09 0.00 -0.73 0.00 0.00 40.66 40.28 3i0r h LEU 503 CO -0.17 -0.50 -0.50 1.23 -0.62 0.00 0.00 178.44 177.89 3i0r h GLY 504 N -0.76 -0.78 0.02 3.75 0.00 -0.18 0.28 103.07 105.41 3i0r h GLY 504 Ca -0.04 0.64 0.20 0.00 0.00 0.00 0.00 47.33 48.13 3i0r h GLY 504 CO -0.01 -0.15 0.56 -2.22 0.00 0.00 0.00 176.54 174.72 3i0r h ILE 505 N -0.36 0.63 0.00 2.60 2.04 -1.09 -2.51 117.51 118.82 3i0r h ILE 505 Ca 0.11 -0.22 -0.19 0.00 1.00 0.00 0.00 64.86 65.56 3i0r h ILE 505 Cb 0.59 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3i0r h ILE 505 CO -0.59 0.12 -1.25 0.40 0.00 0.00 0.00 178.15 176.82 3i0r h ILE 506 N 0.65 0.80 0.00 -0.67 2.04 -0.15 -3.10 117.51 117.08 3i0r h ILE 506 Ca 0.58 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.06 3i0r h ILE 506 Cb 0.98 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3i0r h ILE 506 CO -0.42 0.45 -0.03 1.56 0.00 0.00 0.00 178.15 179.71 3i0r h GLN 507 N 0.00 0.00 0.00 2.37 4.20 -0.09 -2.31 115.11 119.28 3i0r h GLN 507 Ca -0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3i0r h GLN 507 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 3i0r h GLN 507 CO 0.07 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 3i0r n ALA 508 N -2.14 1.95 -3.76 3.87 0.00 -1.07 -4.92 120.51 114.44 3i0r n ALA 508 Ca -0.02 -0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 3i0r n ALA 508 Cb 0.17 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.33 3i0r n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i0r n GLN 509 N -1.44 -5.39 -0.73 0.00 6.02 -0.87 -4.81 117.38 110.15 3i0r n GLN 509 Ca 0.06 0.63 -0.32 0.00 -0.01 0.00 0.00 57.00 57.37 3i0r n GLN 509 Cb 0.21 -5.36 0.15 0.00 1.02 0.00 0.00 30.24 26.26 3i0r n GLN 509 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3i0r n PRO 510 N -4.47 -0.38 0.00 -1.09 -0.02 -1.26 -4.51 135.00 123.28 3i0r n PRO 510 Ca -0.16 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3i0r n PRO 510 Cb 0.62 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3i0r n PRO 510 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i0r n ASP 511 N -2.95 0.00 -3.60 2.55 3.85 -1.08 -4.89 116.55 110.43 3i0r n ASP 511 Ca 0.10 -1.00 -0.13 0.00 -0.71 0.00 0.00 54.79 53.05 3i0r n ASP 511 Cb 0.53 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.23 3i0r n ASP 511 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i0r s GLN 512 N 0.00 0.76 -0.11 0.11 -2.07 -1.20 -4.99 119.66 112.17 3i0r s GLN 512 Ca 0.00 0.56 -0.14 0.00 -1.82 0.00 0.00 55.36 53.96 3i0r s GLN 512 Cb 0.00 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.32 3i0r s GLN 512 CO 0.00 -0.16 0.37 0.45 -1.32 0.00 0.00 175.29 174.63 3i0r s SER 513 N -0.30 -0.35 0.30 12.60 0.15 -1.26 -3.39 113.70 121.44 3i0r s SER 513 Ca -0.02 0.60 0.05 0.00 0.70 0.00 0.00 55.95 57.28 3i0r s SER 513 Cb -0.03 0.66 0.76 0.00 -1.71 0.00 0.00 66.02 65.70 3i0r s SER 513 CO 0.01 -0.22 1.72 -0.33 1.20 0.00 0.00 173.24 175.63 3i0r h GLU 514 N 5.09 0.50 -6.53 5.44 5.08 -1.71 -3.40 114.58 119.05 3i0r h GLU 514 Ca -0.27 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.53 3i0r h GLU 514 Cb 1.18 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.33 3i0r h GLU 514 CO 0.30 0.33 0.58 0.45 -1.00 0.00 0.00 179.01 179.67 3i0r s SER 515 N -5.23 7.05 0.04 1.42 0.15 -1.26 -4.95 113.70 110.92 3i0r s SER 515 Ca -0.11 2.10 -0.31 0.00 0.70 0.00 0.00 55.95 58.32 3i0r s SER 515 Cb 0.25 -2.59 -0.18 0.00 -1.71 0.00 0.00 66.02 61.80 3i0r s SER 515 CO 0.79 -0.47 1.41 -0.08 1.20 0.00 0.00 173.24 176.09 3i0r h GLU 516 N 6.45 -0.94 -0.92 5.44 4.57 -2.01 -2.71 114.58 124.46 3i0r h GLU 516 Ca -0.42 0.06 0.23 0.00 -1.18 0.00 0.00 59.36 58.06 3i0r h GLU 516 Cb 1.21 0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 29.89 3i0r h GLU 516 CO 0.80 -0.60 0.42 1.25 -1.18 0.00 0.00 179.01 179.70 3i0r h LEU 517 N -1.10 0.37 -1.15 1.64 5.85 -1.95 0.69 115.31 119.65 3i0r h LEU 517 Ca -0.10 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 3i0r h LEU 517 Cb 0.77 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3i0r h LEU 517 CO 0.16 -0.01 -0.26 0.58 -0.34 0.00 0.00 178.44 178.57 3i0r h VAL 518 N 0.40 1.25 -0.30 1.05 2.07 -1.93 -2.52 116.25 116.26 3i0r h VAL 518 Ca 0.59 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 3i0r h VAL 518 Cb 1.15 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3i0r h VAL 518 CO -0.54 0.35 -0.17 0.78 0.02 0.00 0.00 177.57 178.02 3i0r h ASN 519 N 0.25 0.53 0.80 0.57 -0.26 0.70 -1.98 115.58 116.18 3i0r h ASN 519 Ca 0.04 -0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.58 3i0r h ASN 519 Cb 0.59 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.72 3i0r h ASN 519 CO 0.04 0.72 -0.38 1.56 -1.06 0.00 0.00 177.43 178.31 3i0r h GLN 520 N 0.49 -1.03 -1.53 0.81 4.20 -1.05 -0.37 115.11 116.63 3i0r h GLN 520 Ca 0.08 0.07 0.48 0.00 0.06 0.00 0.00 58.65 59.34 3i0r h GLN 520 Cb 0.57 0.23 -0.10 0.00 0.30 0.00 0.00 27.48 28.49 3i0r h GLN 520 CO 0.04 -0.68 1.06 -0.89 -0.67 0.00 0.00 178.83 177.69 3i0r n ILE 521 N -5.49 -0.11 -0.01 2.54 5.41 -0.98 0.13 119.36 120.83 3i0r n ILE 521 Ca -0.14 1.48 -0.16 0.00 1.00 0.00 0.00 62.75 64.94 3i0r n ILE 521 Cb 0.43 -2.45 -0.11 0.00 -0.71 0.00 0.00 39.64 36.80 3i0r n ILE 521 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3i0r h ILE 522 N 0.00 1.48 -0.64 1.39 2.04 -0.46 0.01 117.51 121.33 3i0r h ILE 522 Ca 0.83 -1.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3i0r h ILE 522 Cb 3.02 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 41.70 3i0r h ILE 522 CO -0.21 0.56 0.34 1.05 0.00 0.00 0.00 178.15 179.89 3i0r h GLU 523 N -0.29 0.89 0.25 2.37 4.11 0.26 -1.22 114.58 120.95 3i0r h GLU 523 Ca -0.05 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 3i0r h GLU 523 Cb 1.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3i0r h GLU 523 CO 0.08 0.66 -0.20 1.96 0.07 0.00 0.00 179.01 181.58 3i0r h GLN 524 N 0.89 -0.42 -1.45 1.06 1.08 -0.21 -2.56 115.11 113.50 3i0r h GLN 524 Ca 0.23 0.03 0.43 0.00 -1.45 0.00 0.00 58.65 57.89 3i0r h GLN 524 Cb 0.05 0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 27.48 3i0r h GLN 524 CO -0.03 -0.28 1.00 -0.07 -0.95 0.00 0.00 178.83 178.50 3i0r h LEU 525 N -0.44 0.12 0.16 1.46 3.38 -0.28 0.60 115.31 120.32 3i0r h LEU 525 Ca -0.03 0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.68 3i0r h LEU 525 Cb 0.37 0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.19 3i0r h LEU 525 CO 0.00 -0.05 -1.32 0.40 0.09 0.00 0.00 178.44 177.56 3i0r h ILE 526 N 0.07 1.31 -0.69 1.22 2.04 -1.17 -3.28 117.51 117.02 3i0r h ILE 526 Ca 0.76 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 64.00 3i0r h ILE 526 Cb 2.73 2.84 -0.03 0.00 -0.74 0.00 0.00 36.82 41.61 3i0r h ILE 526 CO -0.17 0.79 0.45 0.11 0.00 0.00 0.00 178.15 179.33 3i0r h LYS 527 N 0.20 0.91 -6.00 2.37 1.57 0.55 -3.43 116.57 112.75 3i0r h LYS 527 Ca -0.20 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.32 3i0r h LYS 527 Cb 2.00 -0.20 0.11 0.00 0.08 0.00 0.00 32.23 34.23 3i0r h LYS 527 CO 0.25 0.61 -0.13 1.63 -0.57 0.00 0.00 179.45 181.24 3i0r n LYS 528 N -4.59 -2.47 0.00 3.15 4.01 -0.25 -4.87 118.16 113.13 3i0r n LYS 528 Ca 0.06 -0.73 0.00 0.00 -0.51 0.00 0.00 58.31 57.12 3i0r n LYS 528 Cb 0.02 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 3i0r n LYS 528 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3i0r n GLU 529 N -1.96 0.38 -3.30 1.97 2.13 0.09 -5.00 120.64 114.96 3i0r n GLU 529 Ca 0.07 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.80 3i0r n GLU 529 Cb 0.32 -0.58 -0.05 0.00 0.27 0.00 0.00 31.44 31.40 3i0r n GLU 529 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i0r s LYS 530 N -1.15 0.54 -0.15 5.31 1.02 -1.18 -4.99 119.74 119.14 3i0r s LYS 530 Ca 0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 3i0r s LYS 530 Cb 0.00 -0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 3i0r s LYS 530 CO 0.00 -1.10 0.03 0.08 -0.92 0.00 0.00 175.35 173.43 3i0r s VAL 531 N 2.16 4.48 -0.13 3.17 1.01 -1.26 -2.55 120.40 127.28 3i0r s VAL 531 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3i0r s VAL 531 Cb -0.12 -2.98 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3i0r s VAL 531 CO -0.19 0.51 -0.15 -0.47 0.00 0.00 0.00 175.10 174.79 3i0r s TYR 532 N 0.06 2.09 0.06 5.22 5.04 -1.13 -0.45 117.35 128.23 3i0r s TYR 532 Ca 0.03 -1.07 0.08 0.00 -2.44 0.00 0.00 57.07 53.68 3i0r s TYR 532 Cb -0.13 -1.51 -0.03 0.00 0.35 0.00 0.00 41.96 40.64 3i0r s TYR 532 CO 0.01 -0.56 -0.22 -1.17 -1.34 0.00 0.00 175.55 172.27 3i0r s LEU 533 N 1.18 2.43 -0.06 6.97 2.96 -1.26 -1.47 118.68 129.44 3i0r s LEU 533 Ca -0.02 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 3i0r s LEU 533 Cb -0.14 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.17 3i0r s LEU 533 CO -0.05 0.25 0.37 0.00 -1.32 0.00 0.00 176.35 175.59 3i0r s ALA 534 N -0.91 -0.93 0.27 5.97 0.00 -0.61 -4.97 121.76 120.59 3i0r s ALA 534 Ca 0.14 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.86 3i0r s ALA 534 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 3i0r s ALA 534 CO 0.04 -0.24 0.10 -0.46 0.00 0.00 0.00 175.76 175.20 3i0r s TRP 535 N -0.77 2.86 0.18 0.00 -0.00 -1.25 -1.34 118.94 118.62 3i0r s TRP 535 Ca -0.09 -0.20 -0.22 0.00 -0.00 0.00 0.00 56.10 55.60 3i0r s TRP 535 Cb -0.04 -1.34 0.06 0.00 -0.00 0.00 0.00 33.47 32.15 3i0r s TRP 535 CO 0.03 0.54 0.59 0.14 -0.00 0.00 0.00 176.95 178.25 3i0r s VAL 536 N -2.27 0.01 0.30 5.86 -7.23 -1.02 -4.94 120.40 111.11 3i0r s VAL 536 Ca 0.33 -0.26 -0.22 0.00 -1.81 0.00 0.00 61.98 60.02 3i0r s VAL 536 Cb -0.06 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 3i0r s VAL 536 CO 0.22 -0.04 0.84 -2.16 -0.31 0.00 0.00 175.10 173.66 3i0r s PRO 537 N -3.79 4.37 0.50 4.82 0.05 -1.26 -4.17 135.00 135.53 3i0r s PRO 537 Ca 0.03 1.08 0.04 0.00 0.05 0.00 0.00 61.00 62.20 3i0r s PRO 537 Cb -0.01 -2.74 0.04 0.00 0.05 0.00 0.00 34.50 31.84 3i0r s PRO 537 CO -0.09 0.28 0.35 0.00 0.05 0.00 0.00 177.00 177.59 3i0r n ALA 538 N 0.42 0.76 0.00 8.56 0.00 -1.26 -4.55 120.51 124.44 3i0r n ALA 538 Ca 0.01 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.41 3i0r n ALA 538 Cb 0.51 0.86 0.00 0.00 0.00 0.00 0.00 19.45 20.82 3i0r n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i0r n HIS 539 N -1.65 0.00 -2.46 0.00 8.25 -1.26 -4.57 115.22 113.53 3i0r n HIS 539 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 3i0r n HIS 539 Cb 0.58 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 3i0r n HIS 539 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3i0r s LYS 540 N 0.00 3.45 0.11 -0.41 -0.14 -1.26 -5.01 119.74 116.48 3i0r s LYS 540 Ca 0.00 -1.17 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 3i0r s LYS 540 Cb 0.00 -5.34 -0.06 0.00 -1.68 0.00 0.00 37.83 30.75 3i0r s LYS 540 CO 0.00 -2.49 1.08 0.20 -0.76 0.00 0.00 175.35 173.38 3i0r s GLY 541 N 5.38 2.78 0.24 -3.33 0.00 -1.26 -4.80 107.32 106.33 3i0r s GLY 541 Ca 0.52 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.99 3i0r s GLY 541 CO -0.04 1.72 0.08 -0.42 0.00 0.00 0.00 173.10 174.44 3i0r s ILE 542 N 0.31 0.55 0.12 0.90 1.01 -1.26 -5.00 121.20 117.82 3i0r s ILE 542 Ca 0.52 -2.00 0.09 0.00 0.00 0.00 0.00 60.65 59.26 3i0r s ILE 542 Cb -0.27 -2.56 0.14 0.00 0.01 0.00 0.00 42.46 39.78 3i0r s ILE 542 CO 0.31 -0.07 0.41 0.61 0.00 0.00 0.00 174.94 176.21 3i0r n GLY 543 N -0.42 -0.22 0.00 6.18 0.00 -1.26 -5.16 105.19 104.30 3i0r n GLY 543 Ca -0.01 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3i0r n GLY 543 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93