#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivx s SER 10 N 0.00 7.16 0.00 0.00 0.15 -1.26 -4.90 113.70 114.84 1ivx s SER 10 Ca 0.00 2.11 0.16 0.00 0.70 0.00 0.00 55.95 58.91 1ivx s SER 10 Cb 0.00 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.63 1ivx s SER 10 CO 0.00 -0.21 1.36 -2.65 1.20 0.00 0.00 173.24 172.94 1ivx n PRO 11 N 0.75 0.60 -0.05 5.44 -0.02 -1.26 -2.04 135.00 138.43 1ivx n PRO 11 Ca 0.01 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.54 1ivx n PRO 11 Cb 0.47 -1.41 0.08 0.00 -0.02 0.00 0.00 33.50 32.62 1ivx n PRO 11 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ivx n PHE 12 N -0.91 0.13 -0.94 6.00 3.72 -1.26 -4.60 117.46 119.60 1ivx n PHE 12 Ca 0.12 -0.15 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 1ivx n PHE 12 Cb 0.05 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 38.73 1ivx n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ivx s ARG 13 N -0.93 1.41 0.52 -1.08 1.70 -0.86 -4.73 118.95 114.96 1ivx s ARG 13 Ca 0.16 1.62 -0.21 0.00 -0.47 0.00 0.00 55.73 56.83 1ivx s ARG 13 Cb 0.10 -1.76 -0.06 0.00 -0.57 0.00 0.00 34.95 32.65 1ivx s ARG 13 CO 0.14 -2.36 1.18 -0.51 -1.08 0.00 0.00 175.30 172.67 1ivx s LEU 14 N -6.12 3.86 0.34 -1.89 1.43 -1.26 -4.96 118.68 110.07 1ivx s LEU 14 Ca 0.69 2.32 -0.29 0.00 -1.03 0.00 0.00 54.13 55.82 1ivx s LEU 14 Cb -0.25 -4.41 -0.11 0.00 0.03 0.00 0.00 46.19 41.44 1ivx s LEU 14 CO 0.54 -1.18 1.54 0.00 0.23 0.00 0.00 176.35 177.48 1ivx n ALA 15 N -0.98 2.48 -2.46 4.21 0.00 -1.26 -4.99 120.51 117.51 1ivx n ALA 15 Ca 0.10 0.36 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 1ivx n ALA 15 Cb 0.49 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 1ivx n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ivx s SER 16 N 0.19 6.29 0.24 0.00 0.15 -1.26 -4.48 113.70 114.83 1ivx s SER 16 Ca 0.59 0.71 -0.07 0.00 0.70 0.00 0.00 55.95 57.87 1ivx s SER 16 Cb -0.48 -2.15 0.24 0.00 -1.71 0.00 0.00 66.02 61.92 1ivx s SER 16 CO 0.56 -0.43 1.91 0.00 1.20 0.00 0.00 173.24 176.49 1ivx h ALA 17 N 0.55 1.19 -0.58 5.45 0.00 -1.94 -2.28 119.26 121.65 1ivx h ALA 17 Ca -0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1ivx h ALA 17 Cb 1.21 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ivx h ALA 17 CO 0.62 0.57 0.24 0.78 0.00 0.00 0.00 179.25 181.46 1ivx h GLY 18 N 1.26 0.89 1.93 0.00 0.00 -1.99 -0.90 103.07 104.26 1ivx h GLY 18 Ca 0.35 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1ivx h GLY 18 CO -0.08 0.42 -0.55 0.83 0.00 0.00 0.00 176.54 177.16 1ivx h GLU 19 N 0.83 0.07 -0.10 4.80 5.08 -1.82 -0.64 114.58 122.80 1ivx h GLU 19 Ca 0.20 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1ivx h GLU 19 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ivx h GLU 19 CO -0.02 0.60 -0.15 0.82 -1.00 0.00 0.00 179.01 179.26 1ivx h ILE 20 N 0.06 1.38 -0.34 3.13 1.08 -0.82 -1.48 117.51 120.51 1ivx h ILE 20 Ca -0.00 -1.40 0.06 0.00 -0.39 0.00 0.00 64.86 63.13 1ivx h ILE 20 Cb 0.99 2.07 -0.05 0.00 -3.07 0.00 0.00 36.82 36.75 1ivx h ILE 20 CO 0.08 0.40 0.03 0.28 -0.69 0.00 0.00 178.15 178.24 1ivx h SER 21 N -0.16 -0.07 -0.80 1.72 0.02 -1.10 -1.39 113.55 111.77 1ivx h SER 21 Ca 0.01 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1ivx h SER 21 Cb 0.71 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1ivx h SER 21 CO 0.04 -0.00 0.53 -0.08 -1.14 0.00 0.00 176.83 176.17 1ivx h GLU 22 N 0.13 0.89 -0.33 3.45 4.57 -1.05 0.87 114.58 123.11 1ivx h GLU 22 Ca 0.16 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1ivx h GLU 22 Cb 0.21 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1ivx h GLU 22 CO -0.25 0.59 -0.31 0.28 -1.18 0.00 0.00 179.01 178.14 1ivx h VAL 23 N 0.92 1.28 0.38 0.32 2.07 -0.45 -1.34 116.25 119.43 1ivx h VAL 23 Ca 0.34 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 1ivx h VAL 23 Cb 0.16 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ivx h VAL 23 CO -0.11 0.47 -0.18 -0.61 0.02 0.00 0.00 177.57 177.16 1ivx h GLN 24 N 0.60 -0.49 -0.19 1.57 4.15 -0.17 -0.59 115.11 119.99 1ivx h GLN 24 Ca 0.07 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.57 1ivx h GLN 24 Cb 0.83 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.57 1ivx h GLN 24 CO 0.07 -0.26 -0.18 0.78 -1.93 0.00 0.00 178.83 177.31 1ivx h GLY 25 N -0.63 -0.08 0.66 2.39 0.00 -0.80 0.13 103.07 104.74 1ivx h GLY 25 Ca -0.05 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.60 1ivx h GLY 25 CO 0.09 -0.17 0.61 -2.22 0.00 0.00 0.00 176.54 174.85 1ivx h ILE 26 N -0.20 0.99 -0.12 2.60 2.04 -1.18 0.16 117.51 121.80 1ivx h ILE 26 Ca 0.12 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1ivx h ILE 26 Cb 0.38 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1ivx h ILE 26 CO -0.31 0.18 -0.11 -0.07 0.00 0.00 0.00 178.15 177.84 1ivx h LEU 27 N 1.01 0.30 0.26 1.44 3.38 -0.05 -2.36 115.31 119.29 1ivx h LEU 27 Ca 0.44 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ivx h LEU 27 Cb 0.36 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ivx h LEU 27 CO -0.20 0.72 -0.35 0.03 0.09 0.00 0.00 178.44 178.73 1ivx h ARG 28 N -0.10 -0.64 -0.51 1.13 3.08 0.09 0.95 114.38 118.38 1ivx h ARG 28 Ca 0.02 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.22 1ivx h ARG 28 Cb 0.63 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1ivx h ARG 28 CO 0.03 -0.43 0.35 1.15 -1.07 0.00 0.00 179.97 180.00 1ivx h THR 29 N -0.67 0.85 -0.03 2.04 2.02 -0.77 0.53 112.91 116.88 1ivx h THR 29 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1ivx h THR 29 Cb 0.63 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1ivx h THR 29 CO -0.12 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.81 1ivx n ALA 30 N -2.57 2.61 -1.10 6.16 0.00 -0.89 -4.87 120.51 119.85 1ivx n ALA 30 Ca 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 1ivx n ALA 30 Cb 0.43 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1ivx n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivx n GLY 31 N 1.03 0.65 0.07 0.00 0.00 0.19 -4.91 105.19 102.22 1ivx n GLY 31 Ca 0.19 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1ivx n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ivx h LEU 32 N 0.00 0.00 -5.52 0.99 3.38 -0.94 -3.40 115.31 109.82 1ivx h LEU 32 Ca -0.07 -0.20 -0.72 0.00 0.09 0.00 0.00 57.88 56.98 1ivx h LEU 32 Cb 0.29 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.72 1ivx h LEU 32 CO 0.10 0.10 0.42 -0.11 0.09 0.00 0.00 178.44 179.04 1ivx n LEU 33 N -2.18 6.38 -4.61 1.67 7.94 -1.12 -4.92 117.00 120.16 1ivx n LEU 33 Ca 0.03 -5.32 -0.29 0.00 -1.11 0.00 0.00 56.01 49.32 1ivx n LEU 33 Cb 0.45 -0.91 0.21 0.00 0.53 0.00 0.00 43.42 43.71 1ivx n LEU 33 CO 0.37 2.08 0.61 -0.83 -1.11 0.00 0.00 177.39 178.51 1ivx s GLY 34 N -2.07 1.56 0.44 -3.96 0.00 -1.26 -4.84 107.32 97.18 1ivx s GLY 34 Ca 0.45 -0.60 0.17 0.00 0.00 0.00 0.00 44.72 44.75 1ivx s GLY 34 CO -0.20 0.15 1.93 -2.55 0.00 0.00 0.00 173.10 172.43 1ivx h PRO 35 N -2.31 0.35 -0.49 2.90 0.11 -1.99 -0.63 132.00 129.94 1ivx h PRO 35 Ca -0.52 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ivx h PRO 35 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ivx h PRO 35 CO 0.47 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1ivx n GLU 36 N -4.46 2.45 -3.59 1.05 -0.58 -1.26 -4.93 120.64 109.31 1ivx n GLU 36 Ca 0.14 -2.22 -0.37 0.00 -0.42 0.00 0.00 57.16 54.29 1ivx n GLU 36 Cb 0.53 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.84 1ivx n GLU 36 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1ivx s LYS 37 N -1.35 3.98 0.02 3.49 -0.14 -0.24 0.63 119.74 126.12 1ivx s LYS 37 Ca 0.41 0.17 0.05 0.00 -1.36 0.00 0.00 55.97 55.23 1ivx s LYS 37 Cb 0.22 -3.31 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1ivx s LYS 37 CO 0.30 0.50 -0.15 1.03 -0.76 0.00 0.00 175.35 176.27 1ivx s ARG 38 N -0.35 1.08 -0.72 1.68 1.81 0.64 -4.80 118.95 118.30 1ivx s ARG 38 Ca 0.19 -0.68 -0.23 0.00 -1.72 0.00 0.00 55.73 53.29 1ivx s ARG 38 Cb -0.14 -1.09 0.07 0.00 -0.45 0.00 0.00 34.95 33.35 1ivx s ARG 38 CO 0.07 0.28 1.05 0.42 -0.68 0.00 0.00 175.30 176.44 1ivx s ILE 39 N -0.63 4.28 -0.06 1.52 1.01 0.12 0.52 121.20 127.96 1ivx s ILE 39 Ca 0.04 -0.45 0.26 0.00 0.00 0.00 0.00 60.65 60.50 1ivx s ILE 39 Cb -0.07 -4.74 0.30 0.00 0.01 0.00 0.00 42.46 37.96 1ivx s ILE 39 CO 0.01 -1.54 1.79 0.00 0.00 0.00 0.00 174.94 175.19 1ivx h ALA 40 N 9.54 0.97 -1.75 9.38 0.00 -1.05 -3.39 119.26 132.97 1ivx h ALA 40 Ca -0.20 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1ivx h ALA 40 Cb 1.06 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 1ivx h ALA 40 CO 1.20 0.14 0.29 -0.47 0.00 0.00 0.00 179.25 180.40 1ivx s TYR 41 N -3.47 -0.68 -0.09 0.00 5.04 -1.17 -4.74 117.35 112.25 1ivx s TYR 41 Ca 0.03 1.51 -0.04 0.00 -2.44 0.00 0.00 57.07 56.13 1ivx s TYR 41 Cb 0.08 0.39 0.05 0.00 0.35 0.00 0.00 41.96 42.83 1ivx s TYR 41 CO 0.62 -0.33 0.20 -1.17 -1.34 0.00 0.00 175.55 173.53 1ivx s LEU 42 N 0.80 0.33 -0.11 6.97 0.20 -1.26 0.01 118.68 125.62 1ivx s LEU 42 Ca -0.03 0.42 -0.26 0.00 0.69 0.00 0.00 54.13 54.95 1ivx s LEU 42 Cb -0.05 0.52 0.06 0.00 -0.43 0.00 0.00 46.19 46.29 1ivx s LEU 42 CO -0.10 -0.18 0.62 -0.83 -0.29 0.00 0.00 176.35 175.57 1ivx s GLY 43 N 1.58 -0.49 0.19 7.98 0.00 -0.65 -4.67 107.32 111.27 1ivx s GLY 43 Ca -0.06 1.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.72 1ivx s GLY 43 CO -0.07 1.06 1.18 0.54 0.00 0.00 0.00 173.10 175.81 1ivx s VAL 44 N -0.68 3.58 0.37 1.40 0.11 -1.26 -0.94 120.40 122.98 1ivx s VAL 44 Ca -0.08 1.35 -0.22 0.00 -2.93 0.00 0.00 61.98 60.10 1ivx s VAL 44 Cb -0.02 -3.86 -0.10 0.00 -1.53 0.00 0.00 36.38 30.86 1ivx s VAL 44 CO 0.06 0.23 0.92 -0.76 -3.33 0.00 0.00 175.10 172.21 1ivx s LEU 45 N -0.35 4.12 0.20 2.54 1.02 -0.38 -4.88 118.68 120.95 1ivx s LEU 45 Ca 0.52 1.69 -0.04 0.00 0.02 0.00 0.00 54.13 56.32 1ivx s LEU 45 Cb -0.32 -4.25 -0.05 0.00 0.02 0.00 0.00 46.19 41.58 1ivx s LEU 45 CO 0.37 -0.22 0.44 -1.81 0.02 0.00 0.00 176.35 175.16 1ivx s ASP 46 N -1.95 6.47 0.32 2.29 1.01 -1.26 -4.60 116.67 118.96 1ivx s ASP 46 Ca 0.56 0.61 -0.27 0.00 0.71 0.00 0.00 52.55 54.17 1ivx s ASP 46 Cb -0.13 -2.10 -0.14 0.00 1.01 0.00 0.00 42.92 41.56 1ivx s ASP 46 CO 0.18 -0.04 0.90 -0.81 0.21 0.00 0.00 175.17 175.61 1ivx n PRO 47 N -0.35 1.13 -1.70 8.23 -0.04 -1.26 -4.97 135.00 136.04 1ivx n PRO 47 Ca -0.02 0.40 -0.29 0.00 -0.04 0.00 0.00 63.50 63.54 1ivx n PRO 47 Cb 0.53 -1.76 0.13 0.00 -0.04 0.00 0.00 33.50 32.36 1ivx n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ivx s ALA 48 N -1.14 2.09 0.31 0.55 0.00 -1.26 -5.00 121.76 117.31 1ivx s ALA 48 Ca 0.60 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 1ivx s ALA 48 Cb -0.68 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 19.36 1ivx s ALA 48 CO 0.59 -2.18 1.51 0.54 0.00 0.00 0.00 175.76 176.22 1ivx n ARG 49 N -3.67 2.52 0.00 0.00 3.00 -1.26 -3.91 116.66 113.35 1ivx n ARG 49 Ca 0.09 0.89 0.00 0.00 -0.01 0.00 0.00 57.85 58.82 1ivx n ARG 49 Cb 0.60 -2.62 0.00 0.00 0.00 0.00 0.00 32.46 30.44 1ivx n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ivx n GLY 50 N 1.63 1.36 2.45 -0.13 0.00 -1.26 -4.88 105.19 104.35 1ivx n GLY 50 Ca 0.07 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 1ivx n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx n ALA 51 N 0.45 -0.61 -0.55 4.61 0.00 -1.25 -4.96 120.51 118.18 1ivx n ALA 51 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ivx n ALA 51 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1ivx n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivx n GLY 52 N -1.09 -1.64 3.44 0.00 0.00 -1.26 -3.58 105.19 101.05 1ivx n GLY 52 Ca -0.20 0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1ivx n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ivx n SER 53 N -0.62 2.16 -2.77 1.61 3.41 -1.26 -4.73 113.62 111.42 1ivx n SER 53 Ca 0.00 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1ivx n SER 53 Cb 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 1ivx n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ivx n GLU 54 N 7.86 0.00 -3.90 4.33 1.02 -1.24 -4.55 120.64 124.16 1ivx n GLU 54 Ca 0.46 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.25 1ivx n GLU 54 Cb 0.44 -0.48 -0.14 0.00 -0.02 0.00 0.00 31.44 31.24 1ivx n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ivx s ALA 55 N 0.05 2.82 0.22 0.62 0.00 -1.26 -5.09 121.76 119.12 1ivx s ALA 55 Ca 0.00 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.42 1ivx s ALA 55 Cb 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 23.12 21.28 1ivx s ALA 55 CO 0.00 -0.51 1.60 -2.00 0.00 0.00 0.00 175.76 174.84 1ivx s GLU 56 N 1.46 4.18 -0.49 0.00 2.12 -1.26 -4.97 118.70 119.73 1ivx s GLU 56 Ca 0.05 2.47 0.03 0.00 0.36 0.00 0.00 54.97 57.88 1ivx s GLU 56 Cb -0.15 -3.09 0.14 0.00 0.26 0.00 0.00 34.13 31.29 1ivx s GLU 56 CO -0.03 -0.62 0.29 0.34 -0.54 0.00 0.00 175.26 174.70 1ivx s ASP 57 N 0.87 3.73 -0.71 -1.70 2.15 -1.26 -4.94 116.67 114.82 1ivx s ASP 57 Ca 0.68 -2.94 -0.26 0.00 0.43 0.00 0.00 52.55 50.46 1ivx s ASP 57 Cb -0.46 -1.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.94 1ivx s ASP 57 CO 0.37 -0.22 1.99 -0.13 -0.17 0.00 0.00 175.17 177.02 1ivx s ARG 58 N -0.08 2.46 0.23 4.34 1.81 -1.26 -4.95 118.95 121.49 1ivx s ARG 58 Ca 0.20 0.39 0.01 0.00 -1.72 0.00 0.00 55.73 54.62 1ivx s ARG 58 Cb -0.18 -4.66 -0.04 0.00 -0.45 0.00 0.00 34.95 29.62 1ivx s ARG 58 CO -0.05 -3.14 0.40 1.03 -0.68 0.00 0.00 175.30 172.86 1ivx s ARG 59 N 7.31 3.49 -0.01 3.54 0.52 -1.26 -0.88 118.95 131.66 1ivx s ARG 59 Ca 0.73 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 55.49 1ivx s ARG 59 Cb -0.11 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1ivx s ARG 59 CO 0.13 0.38 -0.02 -0.06 0.02 0.00 0.00 175.30 175.75 1ivx s PHE 60 N -1.95 0.24 0.02 -0.53 0.40 -0.06 -1.25 117.98 114.86 1ivx s PHE 60 Ca 0.37 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1ivx s PHE 60 Cb -0.10 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.20 1ivx s PHE 60 CO 0.30 -0.02 0.04 0.50 0.70 0.00 0.00 175.22 176.74 1ivx s ARG 61 N 0.09 2.86 -0.04 0.44 3.52 -0.12 -0.54 118.95 125.16 1ivx s ARG 61 Ca -0.01 -0.62 -0.07 0.00 -0.13 0.00 0.00 55.73 54.91 1ivx s ARG 61 Cb -0.03 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1ivx s ARG 61 CO -0.00 0.61 0.17 0.08 -0.81 0.00 0.00 175.30 175.34 1ivx s VAL 62 N -1.20 0.04 -0.27 7.11 1.01 0.11 -1.64 120.40 125.56 1ivx s VAL 62 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1ivx s VAL 62 Cb -0.12 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1ivx s VAL 62 CO 0.15 -0.17 -0.03 -0.36 0.00 0.00 0.00 175.10 174.69 1ivx s PHE 63 N -0.60 3.12 -0.24 5.22 0.08 0.10 -1.09 117.98 124.57 1ivx s PHE 63 Ca -0.07 -1.53 -0.07 0.00 0.12 0.00 0.00 56.93 55.38 1ivx s PHE 63 Cb -0.04 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1ivx s PHE 63 CO 0.01 -0.72 0.06 0.42 -0.10 0.00 0.00 175.22 174.89 1ivx s ILE 64 N 1.34 4.26 0.13 0.64 1.01 0.07 -0.41 121.20 128.23 1ivx s ILE 64 Ca -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1ivx s ILE 64 Cb -0.17 -2.98 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 1ivx s ILE 64 CO -0.03 0.35 0.39 -2.28 0.00 0.00 0.00 174.94 173.38 1ivx s HIS 65 N 1.54 3.50 -0.28 3.97 5.65 0.19 -1.53 115.29 128.32 1ivx s HIS 65 Ca 0.06 0.64 -0.01 0.00 0.25 0.00 0.00 55.06 56.00 1ivx s HIS 65 Cb -0.15 -2.06 0.05 0.00 -1.18 0.00 0.00 32.58 29.23 1ivx s HIS 65 CO 0.03 0.45 -0.03 0.34 -0.65 0.00 0.00 174.74 174.88 1ivx s ASP 66 N -2.23 4.71 0.54 9.88 -1.08 -1.26 -0.26 116.67 126.98 1ivx s ASP 66 Ca 0.39 -1.20 0.21 0.00 -0.52 0.00 0.00 52.55 51.42 1ivx s ASP 66 Cb -0.13 -1.68 1.42 0.00 -1.46 0.00 0.00 42.92 41.07 1ivx s ASP 66 CO 0.22 -0.22 2.14 0.58 0.52 0.00 0.00 175.17 178.41 1ivx h VAL 67 N 6.44 0.83 -0.03 1.11 2.07 -0.15 -2.62 116.25 123.91 1ivx h VAL 67 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ivx h VAL 67 Cb 1.07 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1ivx h VAL 67 CO 0.53 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.58 1ivx n SER 68 N -4.33 0.49 0.00 0.57 3.41 -1.26 -4.88 113.62 107.62 1ivx n SER 68 Ca -0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1ivx n SER 68 Cb 0.20 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1ivx n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ivx n GLY 69 N 0.98 0.37 3.75 5.00 0.00 -0.98 -5.08 105.19 109.23 1ivx n GLY 69 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1ivx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx s ALA 70 N -2.00 2.18 0.34 4.61 0.00 -1.26 -4.96 121.76 120.67 1ivx s ALA 70 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1ivx s ALA 70 Cb 0.00 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1ivx s ALA 70 CO 0.00 -1.81 1.35 1.03 0.00 0.00 0.00 175.76 176.33 1ivx s ARG 71 N -4.58 4.30 0.82 0.00 0.52 -1.26 -4.35 118.95 114.40 1ivx s ARG 71 Ca 0.64 2.29 -0.12 0.00 -0.52 0.00 0.00 55.73 58.03 1ivx s ARG 71 Cb -0.20 -3.05 0.09 0.00 0.52 0.00 0.00 34.95 32.31 1ivx s ARG 71 CO 0.52 -0.26 1.19 -1.25 0.02 0.00 0.00 175.30 175.52 1ivx s PRO 72 N -1.84 1.84 0.01 3.54 0.04 -1.26 -4.74 135.00 132.59 1ivx s PRO 72 Ca 0.50 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1ivx s PRO 72 Cb -0.41 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1ivx s PRO 72 CO 0.55 -1.67 -0.02 -0.65 0.04 0.00 0.00 177.00 175.24 1ivx s GLN 73 N -5.61 0.21 -0.25 4.56 -0.21 -0.58 -0.56 119.66 117.23 1ivx s GLN 73 Ca 0.63 -0.39 -0.09 0.00 0.02 0.00 0.00 55.36 55.53 1ivx s GLN 73 Cb -0.10 0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.91 1ivx s GLN 73 CO 0.49 -0.02 0.12 -2.00 -2.12 0.00 0.00 175.29 171.76 1ivx s GLU 74 N -0.92 3.86 -0.05 2.91 2.12 -0.45 -0.75 118.70 125.41 1ivx s GLU 74 Ca -0.10 -0.38 0.03 0.00 0.36 0.00 0.00 54.97 54.89 1ivx s GLU 74 Cb -0.06 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1ivx s GLU 74 CO -0.01 -0.07 -0.14 0.08 -0.54 0.00 0.00 175.26 174.58 1ivx s VAL 75 N 1.36 1.23 -0.18 3.70 1.01 -0.25 -1.08 120.40 126.19 1ivx s VAL 75 Ca 0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1ivx s VAL 75 Cb -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1ivx s VAL 75 CO 0.05 0.37 -0.09 -0.89 0.00 0.00 0.00 175.10 174.54 1ivx s THR 76 N 0.31 3.12 0.23 3.92 2.01 -0.85 0.06 115.64 124.44 1ivx s THR 76 Ca -0.08 -0.60 0.11 0.00 0.31 0.00 0.00 61.69 61.43 1ivx s THR 76 Cb -0.13 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 1ivx s THR 76 CO 0.03 0.47 -0.19 0.68 -0.69 0.00 0.00 174.62 174.92 1ivx s VAL 77 N 1.04 2.57 -0.27 3.82 -7.23 0.30 -0.81 120.40 119.81 1ivx s VAL 77 Ca -0.00 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 1ivx s VAL 77 Cb -0.15 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1ivx s VAL 77 CO -0.01 -0.24 0.02 -0.55 -0.31 0.00 0.00 175.10 174.01 1ivx s SER 78 N -3.08 4.77 0.28 4.85 0.15 -0.00 -0.88 113.70 119.78 1ivx s SER 78 Ca 0.25 -0.70 0.12 0.00 0.70 0.00 0.00 55.95 56.32 1ivx s SER 78 Cb -0.07 -1.80 0.35 0.00 -1.71 0.00 0.00 66.02 62.79 1ivx s SER 78 CO 0.13 -0.14 1.59 0.58 1.20 0.00 0.00 173.24 176.60 1ivx h VAL 79 N 5.92 1.35 -0.32 4.45 2.07 -1.30 -0.04 116.25 128.38 1ivx h VAL 79 Ca -0.33 -2.15 -0.14 0.00 0.82 0.00 0.00 66.70 64.90 1ivx h VAL 79 Cb 1.13 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1ivx h VAL 79 CO 0.59 0.60 -0.36 0.74 0.02 0.00 0.00 177.57 179.16 1ivx h THR 80 N 0.00 1.28 -0.29 2.57 2.02 -1.92 -3.15 112.91 113.43 1ivx h THR 80 Ca -0.01 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.65 1ivx h THR 80 Cb 1.14 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1ivx h THR 80 CO 0.08 0.50 0.00 0.59 0.37 0.00 0.00 175.52 177.06 1ivx n ASN 81 N -4.06 3.65 -3.89 4.18 3.02 -1.22 -4.99 115.26 111.96 1ivx n ASN 81 Ca -0.01 -2.74 -0.29 0.00 -0.03 0.00 0.00 54.58 51.50 1ivx n ASN 81 Cb 0.51 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 1ivx n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ivx n GLY 82 N -0.22 -0.43 3.76 7.41 0.00 -0.11 -4.91 105.19 110.69 1ivx n GLY 82 Ca 0.19 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 1ivx n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ivx s THR 83 N -2.84 3.24 -0.62 2.61 2.01 -0.71 -4.94 115.64 114.40 1ivx s THR 83 Ca 0.57 -1.62 -0.05 0.00 0.31 0.00 0.00 61.69 60.90 1ivx s THR 83 Cb -0.34 -3.04 0.16 0.00 0.01 0.00 0.00 72.50 69.30 1ivx s THR 83 CO 0.70 -0.20 0.46 -0.69 -0.69 0.00 0.00 174.62 174.20 1ivx s VAL 84 N -2.38 4.03 0.36 3.82 1.01 -1.26 -0.82 120.40 125.17 1ivx s VAL 84 Ca 0.38 -2.64 0.06 0.00 0.00 0.00 0.00 61.98 59.78 1ivx s VAL 84 Cb -0.04 -3.62 0.17 0.00 0.00 0.00 0.00 36.38 32.90 1ivx s VAL 84 CO 0.23 -0.87 1.91 0.40 0.00 0.00 0.00 175.10 176.78 1ivx h ILE 85 N 5.42 1.18 -2.90 2.22 2.04 -1.30 -3.46 117.51 120.70 1ivx h ILE 85 Ca -0.03 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1ivx h ILE 85 Cb 0.99 0.97 -0.14 0.00 -0.74 0.00 0.00 36.82 37.91 1ivx h ILE 85 CO 0.74 0.24 0.12 -0.55 0.00 0.00 0.00 178.15 178.70 1ivx s SER 86 N -6.78 -0.50 -0.30 1.72 0.15 -0.72 -4.96 113.70 102.32 1ivx s SER 86 Ca -0.07 0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.61 1ivx s SER 86 Cb 0.16 0.55 0.18 0.00 -1.71 0.00 0.00 66.02 65.20 1ivx s SER 86 CO 0.75 -0.85 0.69 0.00 1.20 0.00 0.00 173.24 175.03 1ivx s ALA 87 N -3.17 -2.46 0.17 5.45 0.00 -1.25 -2.01 121.76 118.48 1ivx s ALA 87 Ca -0.01 1.83 0.11 0.00 0.00 0.00 0.00 51.96 53.88 1ivx s ALA 87 Cb -0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1ivx s ALA 87 CO -0.08 -1.31 -0.24 0.08 0.00 0.00 0.00 175.76 174.22 1ivx s VAL 88 N 2.87 2.22 0.10 0.00 1.01 -0.24 -4.95 120.40 121.41 1ivx s VAL 88 Ca 0.14 -1.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.06 1ivx s VAL 88 Cb -0.14 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.16 1ivx s VAL 88 CO -0.19 -0.09 0.50 -1.61 0.00 0.00 0.00 175.10 173.71 1ivx s GLU 89 N -2.49 3.94 -0.15 2.72 2.02 -1.26 -1.35 118.70 122.13 1ivx s GLU 89 Ca 0.18 0.43 -0.03 0.00 0.02 0.00 0.00 54.97 55.56 1ivx s GLU 89 Cb -0.08 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1ivx s GLU 89 CO 0.08 0.55 -0.05 -0.51 0.02 0.00 0.00 175.26 175.35 1ivx s LEU 90 N -1.73 3.20 -1.14 1.80 1.43 0.28 -4.91 118.68 117.61 1ivx s LEU 90 Ca 0.34 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 1ivx s LEU 90 Cb -0.15 -1.77 0.21 0.00 0.03 0.00 0.00 46.19 44.51 1ivx s LEU 90 CO 0.18 0.17 1.28 -0.62 0.23 0.00 0.00 176.35 177.59 1ivx s ASP 91 N 0.33 7.11 0.48 2.29 2.15 -1.26 -4.35 116.67 123.42 1ivx s ASP 91 Ca -0.05 -3.12 0.26 0.00 0.43 0.00 0.00 52.55 50.07 1ivx s ASP 91 Cb -0.14 -2.33 1.30 0.00 -0.30 0.00 0.00 42.92 41.45 1ivx s ASP 91 CO 0.03 -0.61 1.84 0.71 -0.17 0.00 0.00 175.17 176.97 1ivx h THR 92 N 4.42 0.56 0.00 1.71 1.35 -1.93 0.74 112.91 119.76 1ivx h THR 92 Ca 0.25 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 66.03 1ivx h THR 92 Cb 0.89 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1ivx h THR 92 CO 1.14 0.04 -0.09 0.00 -0.25 0.00 0.00 175.52 176.36 1ivx h ALA 93 N 1.56 1.08 0.00 6.62 0.00 -1.88 0.58 119.26 127.21 1ivx h ALA 93 Ca 0.50 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 1ivx h ALA 93 Cb 1.60 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1ivx h ALA 93 CO -0.12 0.11 -1.20 0.00 0.00 0.00 0.00 179.25 178.04 1ivx n ALA 94 N -2.17 0.77 0.94 0.00 0.00 0.23 -4.62 120.51 115.66 1ivx n ALA 94 Ca -0.01 -0.65 0.12 0.00 0.00 0.00 0.00 53.44 52.90 1ivx n ALA 94 Cb 0.29 -0.11 0.30 0.00 0.00 0.00 0.00 19.45 19.93 1ivx n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ivx n THR 95 N -4.47 0.24 0.00 0.00 -2.24 0.42 -4.91 114.28 103.33 1ivx n THR 95 Ca -0.24 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1ivx n THR 95 Cb 0.55 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1ivx n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 96 N 1.29 0.44 3.91 3.38 0.00 0.20 -4.47 105.19 109.94 1ivx n GLY 96 Ca 0.17 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 1ivx n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ivx s GLU 97 N -2.80 2.85 0.67 1.61 0.41 0.84 -4.32 118.70 117.96 1ivx s GLU 97 Ca 0.00 0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.52 1ivx s GLU 97 Cb 0.00 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 30.13 1ivx s GLU 97 CO 0.00 -0.81 1.06 -0.51 -0.49 0.00 0.00 175.26 174.51 1ivx s LEU 98 N -5.09 3.05 0.61 1.80 1.02 -1.26 -3.85 118.68 114.96 1ivx s LEU 98 Ca 0.55 1.34 -0.18 0.00 0.02 0.00 0.00 54.13 55.86 1ivx s LEU 98 Cb -0.11 -4.24 -0.05 0.00 0.02 0.00 0.00 46.19 41.81 1ivx s LEU 98 CO 0.46 -1.20 0.84 -2.65 0.02 0.00 0.00 176.35 173.83 1ivx n PRO 99 N -2.95 0.73 -2.45 1.29 -0.02 -1.26 -4.74 135.00 125.61 1ivx n PRO 99 Ca 0.07 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 1ivx n PRO 99 Cb 0.55 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 1ivx n PRO 99 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ivx s VAL 100 N -1.60 3.79 0.52 -1.45 1.01 -0.65 -4.93 120.40 117.09 1ivx s VAL 100 Ca 0.74 1.48 -0.14 0.00 0.00 0.00 0.00 61.98 64.06 1ivx s VAL 100 Cb -0.41 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 1ivx s VAL 100 CO 0.49 0.23 0.96 -0.76 0.00 0.00 0.00 175.10 176.02 1ivx s LEU 101 N -0.09 3.56 0.10 3.92 1.43 -1.26 -4.85 118.68 121.49 1ivx s LEU 101 Ca 0.52 1.47 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 1ivx s LEU 101 Cb -0.31 -4.42 -0.10 0.00 0.03 0.00 0.00 46.19 41.39 1ivx s LEU 101 CO 0.35 -0.63 1.74 -0.08 0.23 0.00 0.00 176.35 177.95 1ivx h GLU 102 N 0.66 0.18 -0.13 1.70 4.81 -1.98 -2.31 114.58 117.51 1ivx h GLU 102 Ca -0.46 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1ivx h GLU 102 Cb 1.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1ivx h GLU 102 CO 0.62 0.15 0.16 1.05 -0.73 0.00 0.00 179.01 180.26 1ivx h GLU 103 N 0.16 0.00 0.00 1.92 4.11 -2.01 -0.54 114.58 118.22 1ivx h GLU 103 Ca 0.05 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.29 1ivx h GLU 103 Cb 0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1ivx h GLU 103 CO -0.01 0.00 -0.93 0.93 0.07 0.00 0.00 179.01 179.07 1ivx h GLU 104 N 0.00 0.00 -0.47 1.06 5.08 -1.81 -3.12 114.58 115.32 1ivx h GLU 104 Ca 0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1ivx h GLU 104 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1ivx h GLU 104 CO -0.00 0.87 0.10 0.74 -1.00 0.00 0.00 179.01 179.72 1ivx h PHE 105 N 0.00 0.82 0.18 4.33 0.04 -0.96 -3.12 116.94 118.23 1ivx h PHE 105 Ca -0.02 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1ivx h PHE 105 Cb 1.70 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1ivx h PHE 105 CO 0.00 0.75 -0.09 0.93 -0.60 0.00 0.00 178.31 179.30 1ivx h GLU 106 N 0.65 -0.23 -1.70 1.51 5.08 -1.61 -3.09 114.58 115.19 1ivx h GLU 106 Ca 0.15 0.02 0.53 0.00 -1.00 0.00 0.00 59.36 59.05 1ivx h GLU 106 Cb 0.36 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 1ivx h GLU 106 CO 0.01 -0.10 1.17 0.28 -1.00 0.00 0.00 179.01 179.36 1ivx n VAL 107 N -5.16 -0.13 0.08 3.13 0.31 -1.18 -2.35 118.33 113.03 1ivx n VAL 107 Ca -0.09 1.66 -0.12 0.00 -0.01 0.00 0.00 64.34 65.78 1ivx n VAL 107 Cb 0.15 -2.74 -0.06 0.00 -0.91 0.00 0.00 33.84 30.27 1ivx n VAL 107 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ivx h VAL 108 N 0.00 0.79 -0.52 2.52 2.07 -1.59 -2.02 116.25 117.50 1ivx h VAL 108 Ca 0.92 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.42 1ivx h VAL 108 Cb 3.34 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.87 1ivx h VAL 108 CO -0.24 0.00 0.23 -0.08 0.02 0.00 0.00 177.57 177.50 1ivx h GLU 109 N -0.19 0.76 0.30 1.57 4.81 -1.69 -2.37 114.58 117.77 1ivx h GLU 109 Ca 0.01 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1ivx h GLU 109 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1ivx h GLU 109 CO -0.05 0.65 -0.24 1.96 -0.73 0.00 0.00 179.01 180.60 1ivx h GLN 110 N 0.69 -0.53 -0.16 1.92 4.20 -1.64 -1.29 115.11 118.29 1ivx h GLN 110 Ca 0.17 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1ivx h GLN 110 Cb 0.16 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1ivx h GLN 110 CO -0.02 -0.35 -0.08 -0.07 -0.67 0.00 0.00 178.83 177.64 1ivx h LEU 111 N -0.55 0.23 -0.57 1.46 3.38 -1.37 -2.76 115.31 115.13 1ivx h LEU 111 Ca -0.02 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1ivx h LEU 111 Cb 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1ivx h LEU 111 CO -0.02 0.34 -0.69 -0.07 0.09 0.00 0.00 178.44 178.09 1ivx h LEU 112 N 0.24 0.16 -2.58 1.67 3.38 -1.12 -3.21 115.31 113.85 1ivx h LEU 112 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ivx h LEU 112 Cb 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ivx h LEU 112 CO 0.01 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1ivx h ALA 113 N 1.20 1.00 -0.28 1.53 0.00 -0.93 -1.30 119.26 120.47 1ivx h ALA 113 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ivx h ALA 113 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ivx h ALA 113 CO 0.10 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.60 1ivx n THR 114 N -3.07 1.48 -3.53 0.00 -2.24 -1.21 -4.86 114.28 100.84 1ivx n THR 114 Ca -0.02 -1.35 -0.37 0.00 -2.27 0.00 0.00 64.05 60.04 1ivx n THR 114 Cb 0.13 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1ivx n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ivx s ASP 115 N -1.39 6.60 0.10 3.42 -1.08 -0.49 -4.99 116.67 118.84 1ivx s ASP 115 Ca 0.29 0.71 -0.19 0.00 -0.52 0.00 0.00 52.55 52.84 1ivx s ASP 115 Cb 0.20 -2.21 -0.06 0.00 -1.46 0.00 0.00 42.92 39.38 1ivx s ASP 115 CO 0.12 0.20 1.62 -0.33 0.52 0.00 0.00 175.17 177.30 1ivx h GLU 116 N 5.79 0.40 -0.57 4.34 5.08 -1.93 -0.15 114.58 127.55 1ivx h GLU 116 Ca -0.46 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1ivx h GLU 116 Cb 1.19 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1ivx h GLU 116 CO 0.69 0.46 0.29 0.00 -1.00 0.00 0.00 179.01 179.45 1ivx h ARG 117 N 0.27 0.81 0.69 2.33 3.08 -1.94 -0.09 114.38 119.52 1ivx h ARG 117 Ca 0.09 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1ivx h ARG 117 Cb 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ivx h ARG 117 CO -0.00 0.64 -0.35 2.35 -1.07 0.00 0.00 179.97 181.53 1ivx h TRP 118 N 0.77 -0.91 -0.84 3.04 2.91 -1.80 -0.47 115.95 118.65 1ivx h TRP 118 Ca 0.20 -0.02 0.22 0.00 1.13 0.00 0.00 58.89 60.41 1ivx h TRP 118 Cb 0.08 0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 28.99 1ivx h TRP 118 CO -0.01 -0.55 0.58 -0.07 -1.03 0.00 0.00 178.44 177.36 1ivx h LEU 119 N -0.95 0.19 -0.48 0.65 3.38 -1.03 0.39 115.31 117.46 1ivx h LEU 119 Ca -0.09 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1ivx h LEU 119 Cb 0.74 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1ivx h LEU 119 CO 0.14 0.08 -0.41 0.50 0.09 0.00 0.00 178.44 178.85 1ivx h LYS 120 N 0.19 0.80 -0.46 1.13 3.64 -0.61 -1.01 116.57 120.26 1ivx h LYS 120 Ca 0.42 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1ivx h LYS 120 Cb 1.34 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1ivx h LYS 120 CO -0.08 1.06 -0.25 0.00 -2.27 0.00 0.00 179.45 177.91 1ivx h ALA 121 N 0.88 0.70 -0.34 5.00 0.00 0.14 -2.20 119.26 123.44 1ivx h ALA 121 Ca 0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1ivx h ALA 121 Cb 0.97 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ivx h ALA 121 CO 0.09 0.67 -0.07 -0.07 0.00 0.00 0.00 179.25 179.87 1ivx h LEU 122 N 0.82 0.65 -1.14 0.00 3.38 -1.01 -3.02 115.31 114.99 1ivx h LEU 122 Ca 0.10 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1ivx h LEU 122 Cb 0.82 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1ivx h LEU 122 CO 0.07 0.85 0.59 0.00 0.09 0.00 0.00 178.44 180.05 1ivx h ALA 123 N 0.82 1.51 0.00 1.53 0.00 -1.05 0.22 119.26 122.28 1ivx h ALA 123 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ivx h ALA 123 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ivx h ALA 123 CO 0.03 0.35 -0.17 0.00 0.00 0.00 0.00 179.25 179.47 1ivx h ALA 124 N 1.51 1.34 -0.12 0.00 0.00 -1.28 -1.55 119.26 119.16 1ivx h ALA 124 Ca 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ivx h ALA 124 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ivx h ALA 124 CO -0.15 0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.85 1ivx n ARG 125 N -3.78 2.28 -2.63 0.00 1.74 0.52 -4.95 116.66 109.83 1ivx n ARG 125 Ca -0.02 -1.98 -0.19 0.00 -0.77 0.00 0.00 57.85 54.89 1ivx n ARG 125 Cb 0.27 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1ivx n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ivx n ASN 126 N 1.34 -5.50 -4.81 0.55 3.02 0.31 -4.98 115.26 105.21 1ivx n ASN 126 Ca 0.15 -0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.20 1ivx n ASN 126 Cb 0.58 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 35.24 1ivx n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ivx s LEU 127 N -5.63 4.36 -0.44 3.41 1.43 -0.61 -4.99 118.68 116.20 1ivx s LEU 127 Ca 0.13 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.57 1ivx s LEU 127 Cb -0.06 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1ivx s LEU 127 CO 0.16 0.26 1.19 -0.62 0.23 0.00 0.00 176.35 177.57 1ivx s ASP 128 N -0.46 6.62 0.50 2.29 2.15 -1.26 -4.44 116.67 122.07 1ivx s ASP 128 Ca 0.18 0.64 0.36 0.00 0.43 0.00 0.00 52.55 54.16 1ivx s ASP 128 Cb -0.14 -2.55 1.51 0.00 -0.30 0.00 0.00 42.92 41.44 1ivx s ASP 128 CO 0.07 -1.23 1.70 1.62 -0.17 0.00 0.00 175.17 177.16 1ivx h VAL 129 N 6.20 0.26 0.00 1.11 3.04 -1.96 0.50 116.25 125.41 1ivx h VAL 129 Ca -0.24 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1ivx h VAL 129 Cb 1.07 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1ivx h VAL 129 CO 1.11 0.01 0.00 -1.54 -1.01 0.00 0.00 177.57 176.14 1ivx n SER 130 N -4.30 0.00 -0.31 3.17 3.41 -1.26 -2.61 113.62 111.72 1ivx n SER 130 Ca 0.33 -0.02 0.06 0.00 -0.26 0.00 0.00 58.87 58.98 1ivx n SER 130 Cb 1.42 -0.29 0.01 0.00 -0.26 0.00 0.00 64.21 65.10 1ivx n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ivx n LYS 131 N -1.29 1.74 -2.98 4.33 5.02 0.18 -4.94 118.16 120.21 1ivx n LYS 131 Ca 0.10 -0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 55.18 1ivx n LYS 131 Cb 0.17 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 1ivx n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ivx s VAL 132 N -1.45 4.65 0.21 -0.18 1.01 -1.07 -0.72 120.40 122.84 1ivx s VAL 132 Ca 0.11 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1ivx s VAL 132 Cb 0.10 -4.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 1ivx s VAL 132 CO 0.28 -0.80 0.74 -0.13 0.00 0.00 0.00 175.10 175.18 1ivx s ARG 133 N 3.27 4.32 -0.07 2.72 1.81 0.68 -4.90 118.95 126.78 1ivx s ARG 133 Ca 0.27 0.93 0.05 0.00 -1.72 0.00 0.00 55.73 55.26 1ivx s ARG 133 Cb -0.13 -2.96 -0.01 0.00 -0.45 0.00 0.00 34.95 31.40 1ivx s ARG 133 CO 0.20 0.43 -0.25 0.08 -0.68 0.00 0.00 175.30 175.08 1ivx s VAL 134 N -1.45 2.07 -0.45 3.52 1.01 -1.26 -0.95 120.40 122.89 1ivx s VAL 134 Ca 0.41 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 1ivx s VAL 134 Cb -0.18 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.48 1ivx s VAL 134 CO 0.22 0.57 0.50 0.00 0.00 0.00 0.00 175.10 176.38 1ivx s ALA 135 N -0.00 3.43 -0.52 5.51 0.00 0.19 -4.81 121.76 125.55 1ivx s ALA 135 Ca -0.09 -1.66 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 1ivx s ALA 135 Cb -0.15 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1ivx s ALA 135 CO 0.05 -1.74 1.03 -1.25 0.00 0.00 0.00 175.76 173.85 1ivx s PRO 136 N 2.23 3.50 0.15 0.00 0.04 -1.26 -2.45 135.00 137.21 1ivx s PRO 136 Ca 0.12 0.12 0.08 0.00 0.04 0.00 0.00 61.00 61.36 1ivx s PRO 136 Cb -0.19 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1ivx s PRO 136 CO 0.12 -1.44 -0.06 -0.51 0.04 0.00 0.00 177.00 175.15 1ivx s LEU 137 N 4.22 3.12 0.66 -3.56 1.43 0.25 -4.91 118.68 119.87 1ivx s LEU 137 Ca 0.38 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 1ivx s LEU 137 Cb -0.10 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1ivx s LEU 137 CO 0.25 0.13 1.19 -1.54 0.23 0.00 0.00 176.35 176.61 1ivx n SER 138 N 0.23 1.60 0.02 2.29 3.41 -1.26 -1.24 113.62 118.68 1ivx n SER 138 Ca -0.11 0.79 -0.14 0.00 -0.26 0.00 0.00 58.87 59.15 1ivx n SER 138 Cb 0.54 -1.51 -0.14 0.00 -0.26 0.00 0.00 64.21 62.85 1ivx n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ivx h ALA 139 N 0.36 0.48 -0.30 7.33 0.00 -1.91 -3.43 119.26 121.79 1ivx h ALA 139 Ca -0.50 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.14 1ivx h ALA 139 Cb 1.34 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ivx h ALA 139 CO 0.52 1.33 0.00 0.41 0.00 0.00 0.00 179.25 181.51 1ivx n GLY 140 N 1.68 -1.00 2.81 0.00 0.00 -1.26 -4.72 105.19 102.70 1ivx n GLY 140 Ca -0.19 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1ivx n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 141 N 0.00 0.91 0.00 1.61 1.01 -1.26 -4.59 120.40 118.08 1ivx s VAL 141 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ivx s VAL 141 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1ivx s VAL 141 CO 0.00 -0.21 0.00 0.49 0.00 0.00 0.00 175.10 175.38 1ivx n PHE 142 N 4.90 0.00 0.00 5.22 3.72 -1.26 -4.94 117.46 125.10 1ivx n PHE 142 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1ivx n PHE 142 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1ivx n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1ivx n GLU 143 N 0.00 0.00 -3.04 -1.08 0.00 -1.26 -4.54 120.64 110.72 1ivx n GLU 143 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.71 1ivx n GLU 143 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 31.44 30.22 1ivx n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1ivx s TYR 144 N -1.85 3.42 0.30 -1.84 2.02 -1.26 -4.89 117.35 113.25 1ivx s TYR 144 Ca 0.00 -1.77 0.06 0.00 -0.37 0.00 0.00 57.07 54.99 1ivx s TYR 144 Cb 0.00 -4.16 0.79 0.00 -0.40 0.00 0.00 41.96 38.19 1ivx s TYR 144 CO 0.00 -1.33 1.71 0.00 -1.57 0.00 0.00 175.55 174.36 1ivx h ALA 145 N 8.10 1.58 0.00 3.71 0.00 -2.02 -0.52 119.26 130.10 1ivx h ALA 145 Ca 0.18 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ivx h ALA 145 Cb 0.98 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ivx h ALA 145 CO 1.06 -0.32 0.00 -0.85 0.00 0.00 0.00 179.25 179.14 1ivx n GLU 146 N -4.99 0.40 0.02 0.00 0.00 -1.26 -2.63 120.64 112.18 1ivx n GLU 146 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.42 1ivx n GLU 146 Cb 0.69 -1.36 -0.09 0.00 0.00 0.00 0.00 31.44 30.68 1ivx n GLU 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ivx n GLU 147 N -0.86 0.63 -1.58 3.44 1.02 -0.20 -4.76 120.64 118.33 1ivx n GLU 147 Ca 0.07 0.10 -0.45 0.00 -0.02 0.00 0.00 57.16 56.86 1ivx n GLU 147 Cb 0.03 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 1ivx n GLU 147 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ivx n ARG 148 N -2.73 1.89 0.00 3.49 1.74 -1.08 -0.79 116.66 119.19 1ivx n ARG 148 Ca -0.10 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1ivx n ARG 148 Cb 0.79 -3.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 1ivx n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ivx n GLY 149 N 5.72 2.52 3.87 -0.13 0.00 -1.26 -4.96 105.19 110.95 1ivx n GLY 149 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 1ivx n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ivx s ARG 150 N -0.21 3.85 -0.69 1.61 1.81 0.03 -4.84 118.95 120.50 1ivx s ARG 150 Ca 0.00 0.37 -0.17 0.00 -1.72 0.00 0.00 55.73 54.22 1ivx s ARG 150 Cb 0.00 -2.58 0.15 0.00 -0.45 0.00 0.00 34.95 32.07 1ivx s ARG 150 CO 0.00 0.26 0.72 1.03 -0.68 0.00 0.00 175.30 176.63 1ivx s ARG 151 N -2.93 3.26 -0.08 3.54 0.52 -1.26 -4.97 118.95 117.03 1ivx s ARG 151 Ca 0.49 -1.81 -0.07 0.00 -0.52 0.00 0.00 55.73 53.82 1ivx s ARG 151 Cb -0.11 -4.40 -0.04 0.00 0.52 0.00 0.00 34.95 30.92 1ivx s ARG 151 CO 0.21 -1.44 0.19 0.42 0.02 0.00 0.00 175.30 174.69 1ivx s ILE 152 N 1.66 5.43 0.07 1.52 -1.09 -1.26 -1.28 121.20 126.25 1ivx s ILE 152 Ca 0.14 0.22 0.06 0.00 -2.23 0.00 0.00 60.65 58.84 1ivx s ILE 152 Cb -0.19 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1ivx s ILE 152 CO -0.01 0.55 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.32 1ivx s LEU 153 N -1.24 2.24 -0.04 2.97 1.43 -0.04 -3.83 118.68 120.18 1ivx s LEU 153 Ca 0.19 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1ivx s LEU 153 Cb -0.13 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1ivx s LEU 153 CO 0.08 0.03 -0.23 -0.13 0.23 0.00 0.00 176.35 176.33 1ivx s ARG 154 N -1.57 2.37 -0.07 1.70 0.52 -0.38 0.14 118.95 121.66 1ivx s ARG 154 Ca 0.03 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 1ivx s ARG 154 Cb -0.09 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 1ivx s ARG 154 CO 0.03 0.50 -0.17 0.20 0.02 0.00 0.00 175.30 175.88 1ivx s GLY 155 N -0.45 1.48 -0.03 -3.53 0.00 0.97 -0.59 107.32 105.16 1ivx s GLY 155 Ca 0.05 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.87 1ivx s GLY 155 CO 0.01 -0.58 -0.24 1.08 0.00 0.00 0.00 173.10 173.38 1ivx s LEU 156 N -0.29 2.17 0.03 0.66 1.43 -1.02 -2.21 118.68 119.44 1ivx s LEU 156 Ca 0.02 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1ivx s LEU 156 Cb -0.13 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 1ivx s LEU 156 CO 0.03 0.31 0.26 0.00 0.23 0.00 0.00 176.35 177.17 1ivx s ALA 157 N -0.53 3.88 -0.03 4.21 0.00 -1.26 -0.64 121.76 127.39 1ivx s ALA 157 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1ivx s ALA 157 Cb -0.11 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1ivx s ALA 157 CO 0.00 0.69 0.06 -0.06 0.00 0.00 0.00 175.76 176.46 1ivx s PHE 158 N -1.37 -0.03 0.02 0.00 0.08 -0.12 -0.94 117.98 115.61 1ivx s PHE 158 Ca 0.30 0.23 -0.24 0.00 0.12 0.00 0.00 56.93 57.34 1ivx s PHE 158 Cb -0.13 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.10 1ivx s PHE 158 CO 0.19 -0.10 0.73 0.08 -0.10 0.00 0.00 175.22 176.02 1ivx s VAL 159 N 0.98 4.82 -0.46 -0.44 1.01 -0.10 -0.23 120.40 125.97 1ivx s VAL 159 Ca -0.08 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1ivx s VAL 159 Cb -0.11 -4.07 0.12 0.00 0.00 0.00 0.00 36.38 32.32 1ivx s VAL 159 CO -0.03 0.35 0.21 -1.58 0.00 0.00 0.00 175.10 174.05 1ivx s GLN 160 N 0.08 1.92 0.56 2.72 0.74 0.10 -4.20 119.66 121.58 1ivx s GLN 160 Ca 0.37 -2.24 0.26 0.00 0.05 0.00 0.00 55.36 53.80 1ivx s GLN 160 Cb -0.20 -3.39 1.51 0.00 1.10 0.00 0.00 33.01 32.03 1ivx s GLN 160 CO 0.21 -1.06 2.07 -0.44 -0.55 0.00 0.00 175.29 175.52 1ivx h ASP 161 N 7.19 0.00 -5.02 6.67 3.32 -1.90 -3.45 116.42 123.24 1ivx h ASP 161 Ca -0.06 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1ivx h ASP 161 Cb 0.97 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.43 1ivx h ASP 161 CO 0.64 0.00 0.18 0.72 -1.72 0.00 0.00 179.24 179.06 1ivx s PHE 162 N -4.82 -0.32 0.22 4.55 -0.71 -1.26 -5.02 117.98 110.62 1ivx s PHE 162 Ca -0.05 -0.01 -0.17 0.00 -1.04 0.00 0.00 56.93 55.66 1ivx s PHE 162 Cb 0.17 0.58 0.23 0.00 -1.21 0.00 0.00 43.02 42.79 1ivx s PHE 162 CO 0.62 -1.00 1.57 -1.35 -1.34 0.00 0.00 175.22 173.71 1ivx h PRO 163 N 2.04 -0.05 -0.67 1.99 0.11 -2.03 -0.72 132.00 132.68 1ivx h PRO 163 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ivx h PRO 163 Cb 1.28 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ivx h PRO 163 CO 0.32 -0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.47 1ivx n GLU 164 N -5.48 2.32 -3.15 1.05 1.02 -1.26 -4.91 120.64 110.23 1ivx n GLU 164 Ca 0.09 -1.22 -0.34 0.00 -0.02 0.00 0.00 57.16 55.67 1ivx n GLU 164 Cb 0.40 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1ivx n GLU 164 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ivx s ASP 165 N -0.52 6.88 -0.56 1.62 2.15 -0.28 -5.01 116.67 120.95 1ivx s ASP 165 Ca 0.22 1.31 -0.21 0.00 0.43 0.00 0.00 52.55 54.29 1ivx s ASP 165 Cb 0.15 -2.38 0.06 0.00 -0.30 0.00 0.00 42.92 40.45 1ivx s ASP 165 CO 0.09 -0.09 0.81 -0.55 -0.17 0.00 0.00 175.17 175.26 1ivx s SER 166 N -2.00 6.24 0.59 -0.34 0.15 -1.26 -4.88 113.70 112.21 1ivx s SER 166 Ca 0.48 -0.81 0.30 0.00 0.70 0.00 0.00 55.95 56.62 1ivx s SER 166 Cb -0.13 -2.37 1.81 0.00 -1.71 0.00 0.00 66.02 63.63 1ivx s SER 166 CO 0.19 -1.15 2.23 0.00 1.20 0.00 0.00 173.24 175.71 1ivx h ALA 167 N 9.25 1.56 -0.28 5.45 0.00 -1.93 -2.35 119.26 130.95 1ivx h ALA 167 Ca -0.28 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ivx h ALA 167 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1ivx h ALA 167 CO 1.07 -0.06 0.25 -1.49 0.00 0.00 0.00 179.25 179.01 1ivx h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.91 0.80 115.95 118.90 1ivx h TRP 168 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1ivx h TRP 168 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1ivx h TRP 168 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1ivx n ALA 169 N -2.46 1.89 -3.14 1.49 0.00 -0.89 -4.10 120.51 113.31 1ivx n ALA 169 Ca 0.04 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1ivx n ALA 169 Cb 0.40 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1ivx n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ivx n HIS 170 N -1.44 1.97 -2.06 0.00 8.25 0.27 -4.47 115.22 117.74 1ivx n HIS 170 Ca 0.06 -3.89 -0.37 0.00 -0.26 0.00 0.00 57.72 53.25 1ivx n HIS 170 Cb 0.20 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 30.87 1ivx n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1ivx s PRO 171 N -2.61 3.44 -0.57 -0.41 0.04 -1.26 -0.93 135.00 132.70 1ivx s PRO 171 Ca 0.42 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 1ivx s PRO 171 Cb 0.27 -2.29 0.15 0.00 0.04 0.00 0.00 34.50 32.67 1ivx s PRO 171 CO -0.09 -0.86 0.41 0.08 0.04 0.00 0.00 177.00 176.58 1ivx s VAL 172 N -1.47 3.96 0.84 -0.36 1.01 -0.12 -4.40 120.40 119.87 1ivx s VAL 172 Ca 0.68 -2.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.07 1ivx s VAL 172 Cb -0.33 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1ivx s VAL 172 CO 0.39 -0.84 1.17 -0.62 0.00 0.00 0.00 175.10 175.20 1ivx s ASP 173 N 1.52 4.19 0.00 3.32 -1.08 -1.26 -3.97 116.67 119.38 1ivx s ASP 173 Ca 0.13 0.84 0.00 0.00 -0.52 0.00 0.00 52.55 53.00 1ivx s ASP 173 Cb -0.21 -1.37 0.00 0.00 -1.46 0.00 0.00 42.92 39.89 1ivx s ASP 173 CO -0.04 -2.11 0.00 0.61 0.52 0.00 0.00 175.17 174.15 1ivx n GLY 174 N -2.95 1.04 2.96 2.66 0.00 -1.26 -4.24 105.19 103.40 1ivx n GLY 174 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ivx n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ivx s LEU 175 N 0.00 1.72 -0.20 0.99 2.96 -1.25 0.56 118.68 123.46 1ivx s LEU 175 Ca 0.00 -0.15 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 1ivx s LEU 175 Cb 0.00 -0.45 0.06 0.00 0.50 0.00 0.00 46.19 46.30 1ivx s LEU 175 CO 0.00 0.03 0.53 0.54 -1.32 0.00 0.00 176.35 176.13 1ivx s VAL 176 N 0.30 -0.01 0.07 1.68 0.11 -0.37 -4.59 120.40 117.59 1ivx s VAL 176 Ca -0.04 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.12 1ivx s VAL 176 Cb -0.08 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1ivx s VAL 176 CO 0.00 0.01 -0.22 0.00 -3.33 0.00 0.00 175.10 171.56 1ivx s ALA 177 N 0.70 2.49 -0.10 1.54 0.00 -0.94 -0.13 121.76 125.33 1ivx s ALA 177 Ca -0.03 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1ivx s ALA 177 Cb -0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1ivx s ALA 177 CO -0.05 0.56 -0.11 0.71 0.00 0.00 0.00 175.76 176.87 1ivx s TYR 178 N -0.96 2.83 -0.04 0.00 2.02 -0.48 -0.02 117.35 120.70 1ivx s TYR 178 Ca 0.14 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 1ivx s TYR 178 Cb -0.10 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1ivx s TYR 178 CO 0.05 0.05 -0.08 0.08 -1.57 0.00 0.00 175.55 174.08 1ivx s VAL 179 N -0.22 0.76 -0.51 0.71 1.01 0.12 -1.43 120.40 120.85 1ivx s VAL 179 Ca 0.02 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 1ivx s VAL 179 Cb -0.13 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1ivx s VAL 179 CO 0.03 0.26 0.90 -0.62 0.00 0.00 0.00 175.10 175.67 1ivx s ASP 180 N 0.65 6.39 0.00 3.32 -1.08 0.33 -0.86 116.67 125.41 1ivx s ASP 180 Ca -0.10 -0.22 0.19 0.00 -0.52 0.00 0.00 52.55 51.90 1ivx s ASP 180 Cb -0.13 -2.42 0.87 0.00 -1.46 0.00 0.00 42.92 39.77 1ivx s ASP 180 CO 0.01 -1.12 1.62 1.33 0.52 0.00 0.00 175.17 177.53 1ivx n VAL 181 N 6.22 0.61 -0.11 1.11 0.24 -0.40 -0.84 118.33 125.15 1ivx n VAL 181 Ca 0.03 0.15 -0.21 0.00 -2.04 0.00 0.00 64.34 62.27 1ivx n VAL 181 Cb 0.48 -0.82 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 1ivx n VAL 181 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1ivx n VAL 182 N -1.45 1.51 1.31 3.34 0.24 -1.26 -4.32 118.33 117.71 1ivx n VAL 182 Ca 0.06 -0.11 0.14 0.00 -2.04 0.00 0.00 64.34 62.39 1ivx n VAL 182 Cb 0.21 -2.06 0.70 0.00 -1.47 0.00 0.00 33.84 31.22 1ivx n VAL 182 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ivx n SER 183 N -4.39 0.00 -3.69 -1.34 3.41 -1.24 -4.91 113.62 101.46 1ivx n SER 183 Ca -0.35 -0.09 -0.22 0.00 -0.26 0.00 0.00 58.87 57.95 1ivx n SER 183 Cb 0.69 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1ivx n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ivx n LYS 184 N -1.29 -5.37 -4.84 4.33 5.02 -0.02 -5.01 118.16 110.98 1ivx n LYS 184 Ca 0.13 0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 56.78 1ivx n LYS 184 Cb 0.23 -5.35 -0.14 0.00 -0.02 0.00 0.00 35.03 29.74 1ivx n LYS 184 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ivx s GLU 185 N -6.00 1.72 -0.74 1.97 2.02 -0.96 -4.95 118.70 111.75 1ivx s GLU 185 Ca 0.12 -1.11 -0.23 0.00 0.02 0.00 0.00 54.97 53.78 1ivx s GLU 185 Cb -0.06 -1.91 0.07 0.00 0.10 0.00 0.00 34.13 32.33 1ivx s GLU 185 CO 0.80 0.49 1.07 0.08 0.02 0.00 0.00 175.26 177.72 1ivx s VAL 186 N -0.82 4.25 0.33 2.63 1.01 -1.26 -0.51 120.40 126.02 1ivx s VAL 186 Ca 0.11 -0.44 0.37 0.00 0.00 0.00 0.00 61.98 62.03 1ivx s VAL 186 Cb -0.10 -4.76 0.40 0.00 0.00 0.00 0.00 36.38 31.92 1ivx s VAL 186 CO 0.02 -1.57 2.12 0.71 0.00 0.00 0.00 175.10 176.39 1ivx h THR 187 N 6.02 0.07 -1.52 3.92 1.35 -1.59 -3.46 112.91 117.69 1ivx h THR 187 Ca -0.19 -0.35 0.14 0.00 -0.55 0.00 0.00 66.41 65.45 1ivx h THR 187 Cb 1.06 1.33 -0.23 0.00 -1.73 0.00 0.00 68.15 68.58 1ivx h THR 187 CO 1.21 0.02 0.66 -0.60 -0.25 0.00 0.00 175.52 176.55 1ivx s ARG 188 N -3.88 0.47 -0.03 4.72 3.52 -1.11 -4.97 118.95 117.67 1ivx s ARG 188 Ca -0.01 0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1ivx s ARG 188 Cb 0.11 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.75 1ivx s ARG 188 CO 0.50 -0.16 0.01 0.08 -0.81 0.00 0.00 175.30 174.92 1ivx s VAL 189 N -1.46 0.13 -0.12 7.11 1.01 -1.26 -1.38 120.40 124.43 1ivx s VAL 189 Ca 0.02 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1ivx s VAL 189 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.12 1ivx s VAL 189 CO -0.02 0.15 -0.21 -0.63 0.00 0.00 0.00 175.10 174.39 1ivx s ILE 190 N 1.27 2.23 -0.38 2.22 1.01 0.82 -4.99 121.20 123.38 1ivx s ILE 190 Ca -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1ivx s ILE 190 Cb -0.13 -1.88 0.11 0.00 0.01 0.00 0.00 42.46 40.57 1ivx s ILE 190 CO -0.02 0.55 0.15 -0.62 0.00 0.00 0.00 174.94 174.99 1ivx s ASP 191 N 0.53 4.06 0.03 3.58 -1.08 -1.25 -1.24 116.67 121.30 1ivx s ASP 191 Ca -0.13 -2.19 0.26 0.00 -0.52 0.00 0.00 52.55 49.97 1ivx s ASP 191 Cb -0.17 -1.13 1.08 0.00 -1.46 0.00 0.00 42.92 41.24 1ivx s ASP 191 CO 0.05 -0.34 1.83 0.35 0.52 0.00 0.00 175.17 177.57 1ivx n THR 192 N 4.15 0.26 0.00 1.71 -2.24 0.19 -4.96 114.28 113.39 1ivx n THR 192 Ca 0.03 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1ivx n THR 192 Cb 0.39 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1ivx n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 193 N 1.18 3.90 3.77 3.38 0.00 -1.24 -5.04 105.19 111.14 1ivx n GLY 193 Ca 0.06 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1ivx n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 194 N -2.00 4.27 0.01 1.61 1.01 -1.26 -4.07 120.40 119.96 1ivx s VAL 194 Ca 0.00 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1ivx s VAL 194 Cb 0.00 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1ivx s VAL 194 CO 0.00 0.39 -0.11 -0.36 0.00 0.00 0.00 175.10 175.02 1ivx s PHE 195 N -1.32 0.98 0.53 5.22 0.40 -1.26 -4.99 117.98 117.55 1ivx s PHE 195 Ca 0.42 -0.23 -0.22 0.00 -0.60 0.00 0.00 56.93 56.29 1ivx s PHE 195 Cb -0.22 -0.61 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 1ivx s PHE 195 CO 0.27 -0.01 1.32 -2.30 0.70 0.00 0.00 175.22 175.20 1ivx n PRO 196 N 2.55 1.67 -3.37 0.24 -0.02 -1.26 -4.70 135.00 130.11 1ivx n PRO 196 Ca -0.15 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 1ivx n PRO 196 Cb 0.56 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 1ivx n PRO 196 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ivx s VAL 197 N -1.29 5.16 0.03 -1.45 1.01 -1.26 -4.82 120.40 117.78 1ivx s VAL 197 Ca 0.71 0.63 -0.38 0.00 0.00 0.00 0.00 61.98 62.94 1ivx s VAL 197 Cb -0.43 -3.72 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 1ivx s VAL 197 CO 0.50 0.16 1.32 -2.65 0.00 0.00 0.00 175.10 174.43 1ivx n PRO 198 N 5.28 0.89 -0.03 2.72 -0.02 -1.26 -4.88 135.00 137.68 1ivx n PRO 198 Ca -0.08 0.32 -0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1ivx n PRO 198 Cb 0.51 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.92 1ivx n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ivx n ALA 199 N 2.56 1.67 -1.79 3.55 0.00 -1.26 -4.45 120.51 120.80 1ivx n ALA 199 Ca 0.20 -0.89 -0.41 0.00 0.00 0.00 0.00 53.44 52.34 1ivx n ALA 199 Cb 0.16 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1ivx n ALA 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ivx s GLU 200 N -2.69 4.22 0.61 0.00 2.12 -1.26 -5.01 118.70 116.69 1ivx s GLU 200 Ca -0.06 2.40 -0.06 0.00 0.36 0.00 0.00 54.97 57.61 1ivx s GLU 200 Cb 0.08 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.45 1ivx s GLU 200 CO 0.83 -0.39 0.93 -3.38 -0.54 0.00 0.00 175.26 172.71 1ivx s HIS 201 N -0.93 3.23 -0.31 5.30 -3.43 -1.26 -4.77 115.29 113.11 1ivx s HIS 201 Ca 0.53 0.66 0.15 0.00 -0.80 0.00 0.00 55.06 55.60 1ivx s HIS 201 Cb -0.43 -2.81 0.47 0.00 -1.43 0.00 0.00 32.58 28.38 1ivx s HIS 201 CO 0.56 -0.91 1.09 0.41 -2.00 0.00 0.00 174.74 173.89 1ivx n GLY 202 N -2.65 3.41 3.51 -1.38 0.00 -1.26 -4.99 105.19 101.83 1ivx n GLY 202 Ca 0.05 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1ivx n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ivx s ASN 203 N -3.55 6.70 0.00 1.61 0.01 -1.26 -4.80 114.94 113.65 1ivx s ASN 203 Ca 0.36 -2.08 0.00 0.00 -0.71 0.00 0.00 52.86 50.43 1ivx s ASN 203 Cb 0.39 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.56 1ivx s ASN 203 CO -0.03 -1.18 0.78 0.00 -1.51 0.00 0.00 177.10 175.17 1ivx n TYR 204 N 7.48 0.00 0.80 2.20 0.18 -1.26 -0.53 117.16 126.03 1ivx n TYR 204 Ca 0.33 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.20 1ivx n TYR 204 Cb 0.48 -0.28 -0.05 0.00 -0.38 0.00 0.00 39.34 39.11 1ivx n TYR 204 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1ivx n THR 205 N -1.28 0.00 -2.75 -3.48 -1.04 -1.26 -4.73 114.28 99.74 1ivx n THR 205 Ca 0.00 -0.21 -0.43 0.00 -2.04 0.00 0.00 64.05 61.37 1ivx n THR 205 Cb 0.00 1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 69.59 1ivx n THR 205 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ivx s ASP 206 N -2.31 6.92 0.66 8.00 -1.08 0.31 -4.92 116.67 124.25 1ivx s ASP 206 Ca 0.11 1.09 0.34 0.00 -0.52 0.00 0.00 52.55 53.56 1ivx s ASP 206 Cb 0.14 -2.50 1.84 0.00 -1.46 0.00 0.00 42.92 40.94 1ivx s ASP 206 CO 0.57 -0.69 2.06 -0.65 0.52 0.00 0.00 175.17 176.98 1ivx h PRO 207 N 7.80 0.00 0.00 4.34 0.11 -1.86 0.95 132.00 143.33 1ivx h PRO 207 Ca -0.21 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.76 1ivx h PRO 207 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1ivx h PRO 207 CO 0.96 0.00 -0.66 1.05 -0.21 0.00 0.00 178.00 179.14 1ivx h GLU 208 N 0.00 0.00 0.00 1.05 -0.00 -1.92 -0.33 114.58 113.39 1ivx h GLU 208 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.26 1ivx h GLU 208 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.23 1ivx h GLU 208 CO -0.00 0.66 -0.81 1.25 -0.00 0.00 0.00 179.01 180.11 1ivx h LEU 209 N 0.00 0.00 -0.23 3.06 5.85 0.48 -3.39 115.31 121.09 1ivx h LEU 209 Ca -0.01 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1ivx h LEU 209 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1ivx h LEU 209 CO 0.09 1.14 0.09 0.71 -0.34 0.00 0.00 178.44 180.12 1ivx h THR 210 N -1.00 1.17 0.00 1.05 1.35 -0.84 -3.49 112.91 111.15 1ivx h THR 210 Ca -0.18 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1ivx h THR 210 Cb 0.93 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1ivx h THR 210 CO -0.11 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1ivx n GLY 211 N -0.69 -2.26 3.72 5.82 0.00 -0.13 -4.86 105.19 106.78 1ivx n GLY 211 Ca -0.03 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1ivx n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ivx s PRO 212 N -0.24 4.30 0.52 1.61 0.04 -1.26 -4.78 135.00 135.19 1ivx s PRO 212 Ca 0.00 2.12 -0.23 0.00 0.04 0.00 0.00 61.00 62.93 1ivx s PRO 212 Cb 0.00 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.25 1ivx s PRO 212 CO 0.00 -0.46 1.38 -0.51 0.04 0.00 0.00 177.00 177.44 1ivx s LEU 213 N 1.10 3.93 0.39 -3.56 1.02 -1.26 -4.95 118.68 115.36 1ivx s LEU 213 Ca 0.65 2.81 -0.25 0.00 0.02 0.00 0.00 54.13 57.36 1ivx s LEU 213 Cb -0.38 -4.17 -0.09 0.00 0.02 0.00 0.00 46.19 41.58 1ivx s LEU 213 CO 0.30 -1.44 1.16 0.00 0.02 0.00 0.00 176.35 176.39 1ivx s ARG 214 N -2.76 4.11 -0.10 1.70 1.70 -1.26 -4.95 118.95 117.38 1ivx s ARG 214 Ca 0.68 1.83 0.14 0.00 -0.47 0.00 0.00 55.73 57.91 1ivx s ARG 214 Cb -0.41 -2.71 0.39 0.00 -0.57 0.00 0.00 34.95 31.64 1ivx s ARG 214 CO 0.50 -0.27 1.30 0.25 -1.08 0.00 0.00 175.30 176.01 1ivx n THR 215 N 0.16 1.75 0.22 4.99 -2.24 -1.26 -4.69 114.28 113.21 1ivx n THR 215 Ca 0.04 -1.60 0.12 0.00 -2.27 0.00 0.00 64.05 60.34 1ivx n THR 215 Cb 0.46 0.03 0.08 0.00 -2.10 0.00 0.00 70.33 68.80 1ivx n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ivx h THR 216 N 1.47 0.00 -2.94 4.28 1.35 -2.03 -3.46 112.91 111.58 1ivx h THR 216 Ca 0.00 -0.90 -0.57 0.00 -0.55 0.00 0.00 66.41 64.39 1ivx h THR 216 Cb 1.10 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 69.02 1ivx h THR 216 CO 0.11 0.00 0.87 -1.10 -0.25 0.00 0.00 175.52 175.15 1ivx s GLN 217 N -3.29 4.25 0.17 4.72 -0.21 -1.26 -5.02 119.66 119.02 1ivx s GLN 217 Ca 0.03 1.65 -0.08 0.00 0.02 0.00 0.00 55.36 56.97 1ivx s GLN 217 Cb 0.09 -3.73 -0.06 0.00 1.00 0.00 0.00 33.01 30.31 1ivx s GLN 217 CO 0.75 -0.67 0.46 0.15 -2.12 0.00 0.00 175.29 173.85 1ivx s LYS 218 N 3.32 3.73 0.63 2.91 3.01 -1.26 -5.07 119.74 127.00 1ivx s LYS 218 Ca 0.54 0.12 -0.17 0.00 -1.01 0.00 0.00 55.97 55.45 1ivx s LYS 218 Cb -0.22 -2.79 -0.02 0.00 -1.01 0.00 0.00 37.83 33.80 1ivx s LYS 218 CO 0.15 0.42 1.15 -1.25 0.51 0.00 0.00 175.35 176.33 1ivx s PRO 219 N -2.60 2.87 -0.21 -1.68 0.04 -1.26 -5.03 135.00 127.14 1ivx s PRO 219 Ca 0.42 1.61 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1ivx s PRO 219 Cb -0.12 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.53 1ivx s PRO 219 CO 0.22 -1.24 -0.09 0.42 0.04 0.00 0.00 177.00 176.36 1ivx s ILE 220 N -1.96 1.58 -0.31 0.56 1.01 -1.26 -5.11 121.20 115.71 1ivx s ILE 220 Ca 0.72 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1ivx s ILE 220 Cb -0.25 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1ivx s ILE 220 CO 0.36 0.09 0.21 -0.44 0.00 0.00 0.00 174.94 175.16 1ivx s SER 221 N 1.41 5.99 -0.35 3.58 0.01 -1.26 -5.05 113.70 118.03 1ivx s SER 221 Ca -0.02 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1ivx s SER 221 Cb -0.17 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.01 1ivx s SER 221 CO -0.08 -0.13 0.12 -0.63 0.41 0.00 0.00 173.24 172.93 1ivx s ILE 222 N 1.73 3.46 0.37 1.44 1.01 -1.26 -5.08 121.20 122.88 1ivx s ILE 222 Ca 0.06 -1.48 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1ivx s ILE 222 Cb -0.17 -3.09 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 1ivx s ILE 222 CO 0.10 -0.32 0.03 0.42 0.00 0.00 0.00 174.94 175.17 1ivx s THR 223 N 1.29 1.58 -0.38 2.92 -4.23 -1.26 -4.05 115.64 111.51 1ivx s THR 223 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1ivx s THR 223 Cb -0.21 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 70.91 1ivx s THR 223 CO -0.00 0.00 0.25 -1.10 -0.54 0.00 0.00 174.62 173.22 1ivx s GLN 224 N -3.80 0.72 0.63 3.99 -0.21 -1.26 -4.93 119.66 114.80 1ivx s GLN 224 Ca 0.35 -1.59 0.24 0.00 0.02 0.00 0.00 55.36 54.38 1ivx s GLN 224 Cb 0.09 -1.44 1.21 0.00 1.00 0.00 0.00 33.01 33.87 1ivx s GLN 224 CO 0.16 -1.25 1.67 -1.00 -2.12 0.00 0.00 175.29 172.76 1ivx h PRO 225 N 6.65 0.00 -0.13 2.91 0.13 -2.03 0.70 132.00 140.22 1ivx h PRO 225 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ivx h PRO 225 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ivx h PRO 225 CO 0.31 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.47 1ivx n GLU 226 N -3.13 2.39 0.00 0.86 1.02 -1.26 -5.10 120.64 115.42 1ivx n GLU 226 Ca 0.05 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1ivx n GLU 226 Cb 0.73 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1ivx n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ivx n GLY 227 N -0.63 -1.44 3.79 0.62 0.00 0.24 -4.97 105.19 102.78 1ivx n GLY 227 Ca 0.13 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 1ivx n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ivx s PRO 228 N -1.71 0.75 0.00 1.61 0.04 -1.26 -4.89 135.00 129.53 1ivx s PRO 228 Ca 0.00 0.12 0.25 0.00 0.04 0.00 0.00 61.00 61.41 1ivx s PRO 228 Cb 0.00 -1.81 0.45 0.00 0.04 0.00 0.00 34.50 33.18 1ivx s PRO 228 CO 0.00 -2.43 1.39 0.43 0.04 0.00 0.00 177.00 176.42 1ivx n SER 229 N -3.89 1.89 -4.90 6.66 7.64 -1.26 -4.92 113.62 114.83 1ivx n SER 229 Ca 0.09 -1.47 -0.25 0.00 1.01 0.00 0.00 58.87 58.25 1ivx n SER 229 Cb 0.59 0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.94 1ivx n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1ivx s PHE 230 N -2.28 3.38 -0.04 1.43 -0.12 -1.26 -4.51 117.98 114.58 1ivx s PHE 230 Ca 0.26 0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.25 1ivx s PHE 230 Cb 0.19 -1.60 -0.01 0.00 -0.63 0.00 0.00 43.02 40.97 1ivx s PHE 230 CO 0.45 0.51 -0.19 0.95 -0.05 0.00 0.00 175.22 176.88 1ivx s THR 231 N -1.78 1.59 -0.22 -4.49 -4.23 -0.60 -4.98 115.64 100.93 1ivx s THR 231 Ca 0.33 -0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1ivx s THR 231 Cb -0.10 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 1ivx s THR 231 CO 0.27 0.45 0.02 -0.69 -0.54 0.00 0.00 174.62 174.13 1ivx s VAL 232 N -0.11 3.95 0.09 2.29 1.01 -1.26 -2.13 120.40 124.24 1ivx s VAL 232 Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ivx s VAL 232 Cb -0.11 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1ivx s VAL 232 CO 0.02 0.40 -0.11 0.42 0.00 0.00 0.00 175.10 175.82 1ivx s THR 233 N 1.31 1.01 -1.54 3.92 -4.23 -0.18 -4.78 115.64 111.14 1ivx s THR 233 Ca 0.04 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1ivx s THR 233 Cb -0.15 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.42 1ivx s THR 233 CO 0.01 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1ivx n GLY 234 N 0.76 -0.35 4.18 3.99 0.00 -1.26 -0.06 105.19 112.45 1ivx n GLY 234 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ivx n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivx n GLY 235 N -1.01 0.95 0.36 -0.02 0.00 -1.26 -4.33 105.19 99.87 1ivx n GLY 235 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ivx n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivx n ASN 236 N 1.57 0.00 -4.57 1.61 6.94 -1.18 -4.99 115.26 114.63 1ivx n ASN 236 Ca 0.00 -1.62 -0.41 0.00 -0.02 0.00 0.00 54.58 52.54 1ivx n ASN 236 Cb 0.00 -0.12 -0.08 0.00 -2.36 0.00 0.00 39.78 37.21 1ivx n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1ivx s HIS 237 N 0.00 3.21 -0.12 -2.53 2.46 0.91 -0.44 115.29 118.78 1ivx s HIS 237 Ca 0.00 0.24 -0.06 0.00 0.47 0.00 0.00 55.06 55.71 1ivx s HIS 237 Cb 0.00 -2.80 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 1ivx s HIS 237 CO 0.00 -0.44 0.10 0.42 -2.47 0.00 0.00 174.74 172.35 1ivx s ILE 238 N 2.26 5.12 -0.16 0.89 -1.09 0.90 -1.01 121.20 128.10 1ivx s ILE 238 Ca 0.17 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1ivx s ILE 238 Cb -0.16 -3.22 0.04 0.00 -1.58 0.00 0.00 42.46 37.55 1ivx s ILE 238 CO 0.12 0.60 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.79 1ivx s GLU 239 N -0.86 1.21 -0.13 2.79 0.41 -0.91 -1.69 118.70 119.53 1ivx s GLU 239 Ca 0.14 -0.46 -0.07 0.00 -0.41 0.00 0.00 54.97 54.17 1ivx s GLU 239 Cb -0.12 -1.95 0.06 0.00 -1.78 0.00 0.00 34.13 30.34 1ivx s GLU 239 CO 0.03 -0.47 0.31 -0.46 -0.49 0.00 0.00 175.26 174.18 1ivx s TRP 240 N 1.70 -0.46 -0.94 1.61 -0.00 -0.70 -1.55 118.94 118.59 1ivx s TRP 240 Ca 0.00 1.02 -0.20 0.00 -0.00 0.00 0.00 56.10 56.92 1ivx s TRP 240 Cb -0.15 0.12 0.03 0.00 -0.00 0.00 0.00 33.47 33.46 1ivx s TRP 240 CO -0.07 -0.30 0.37 0.39 -0.00 0.00 0.00 176.95 177.34 1ivx n GLU 241 N 4.46 -0.56 0.00 5.86 -0.58 -1.26 0.44 120.64 129.01 1ivx n GLU 241 Ca -0.21 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 1ivx n GLU 241 Cb 0.53 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1ivx n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ivx n LYS 242 N -3.88 0.00 -2.62 3.49 5.02 -1.26 -4.93 118.16 113.98 1ivx n LYS 242 Ca -0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.85 1ivx n LYS 242 Cb 0.43 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 1ivx n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ivx s TRP 243 N -2.22 3.41 -0.08 2.13 0.52 0.17 0.15 118.94 123.03 1ivx s TRP 243 Ca 0.00 1.42 -0.03 0.00 0.02 0.00 0.00 56.10 57.51 1ivx s TRP 243 Cb 0.00 -2.74 0.04 0.00 -1.15 0.00 0.00 33.47 29.62 1ivx s TRP 243 CO 0.00 -0.23 0.17 0.45 0.02 0.00 0.00 176.95 177.36 1ivx s SER 244 N -2.80 -0.13 0.16 2.95 0.15 0.04 -1.73 113.70 112.34 1ivx s SER 244 Ca 0.58 0.36 -0.24 0.00 0.70 0.00 0.00 55.95 57.34 1ivx s SER 244 Cb -0.10 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.52 1ivx s SER 244 CO 0.26 -0.16 0.89 -1.48 1.20 0.00 0.00 173.24 173.95 1ivx s LEU 245 N 1.23 -0.23 -0.12 3.45 2.34 -0.68 -0.93 118.68 123.74 1ivx s LEU 245 Ca -0.09 -0.39 0.03 0.00 0.06 0.00 0.00 54.13 53.74 1ivx s LEU 245 Cb -0.11 2.28 0.01 0.00 -0.56 0.00 0.00 46.19 47.80 1ivx s LEU 245 CO -0.07 -0.97 -0.22 -1.81 -1.06 0.00 0.00 176.35 172.23 1ivx s ASP 246 N -2.88 2.98 -0.57 1.48 1.01 -0.22 -0.07 116.67 118.40 1ivx s ASP 246 Ca 0.11 -0.55 -0.22 0.00 0.71 0.00 0.00 52.55 52.59 1ivx s ASP 246 Cb -0.02 -1.37 0.06 0.00 1.01 0.00 0.00 42.92 42.59 1ivx s ASP 246 CO 0.01 0.11 0.85 -0.69 0.21 0.00 0.00 175.17 175.66 1ivx s VAL 247 N 0.60 4.53 0.57 -1.27 1.01 0.42 -0.69 120.40 125.57 1ivx s VAL 247 Ca -0.13 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1ivx s VAL 247 Cb -0.17 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.77 1ivx s VAL 247 CO 0.04 -1.12 0.79 -0.83 0.00 0.00 0.00 175.10 173.98 1ivx s GLY 248 N 3.06 1.81 -0.12 4.51 0.00 0.51 -4.77 107.32 112.31 1ivx s GLY 248 Ca 0.23 -1.73 -0.10 0.00 0.00 0.00 0.00 44.72 43.12 1ivx s GLY 248 CO 0.14 -1.34 0.31 -0.12 0.00 0.00 0.00 173.10 172.09 1ivx s PHE 249 N -2.75 -0.37 -0.01 1.90 5.36 -1.26 -1.66 117.98 119.19 1ivx s PHE 249 Ca 0.60 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 57.49 1ivx s PHE 249 Cb -0.08 0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 1ivx s PHE 249 CO 0.39 -0.19 -0.10 0.34 -1.46 0.00 0.00 175.22 174.19 1ivx s ASP 250 N 0.45 1.22 0.29 6.13 2.15 -0.41 -4.88 116.67 121.63 1ivx s ASP 250 Ca -0.02 -0.19 -0.00 0.00 0.43 0.00 0.00 52.55 52.76 1ivx s ASP 250 Cb -0.04 -0.20 0.49 0.00 -0.30 0.00 0.00 42.92 42.87 1ivx s ASP 250 CO -0.02 0.11 1.92 1.62 -0.17 0.00 0.00 175.17 178.62 1ivx h VAL 251 N 5.05 1.10 0.00 1.11 3.04 -1.87 0.26 116.25 124.95 1ivx h VAL 251 Ca -0.32 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1ivx h VAL 251 Cb 1.17 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1ivx h VAL 251 CO 0.49 0.20 -0.00 -0.09 -1.01 0.00 0.00 177.57 177.16 1ivx h ARG 252 N 1.08 -0.00 0.07 4.17 2.43 -1.91 0.75 114.38 120.96 1ivx h ARG 252 Ca 0.38 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.28 1ivx h ARG 252 Cb 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1ivx h ARG 252 CO -0.13 0.88 -1.35 0.93 -1.51 0.00 0.00 179.97 178.79 1ivx h GLU 253 N -0.94 0.14 0.00 0.20 5.08 -1.83 -2.71 114.58 114.52 1ivx h GLU 253 Ca -0.00 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1ivx h GLU 253 Cb 0.88 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ivx h GLU 253 CO 0.00 1.01 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 1ivx n GLY 254 N 1.53 0.85 3.72 -3.84 0.00 0.90 -4.63 105.19 103.73 1ivx n GLY 254 Ca -0.10 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1ivx n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 255 N 0.00 3.58 -0.04 1.61 1.01 -1.26 -1.28 120.40 124.01 1ivx s VAL 255 Ca 0.00 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.22 1ivx s VAL 255 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ivx s VAL 255 CO 0.00 0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.33 1ivx s VAL 256 N 0.71 1.68 -0.16 2.92 1.01 -0.66 -4.60 120.40 121.31 1ivx s VAL 256 Ca 0.59 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1ivx s VAL 256 Cb -0.34 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1ivx s VAL 256 CO 0.32 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 175.18 1ivx s LEU 257 N -0.12 3.71 0.05 3.92 1.43 -0.26 -0.36 118.68 127.05 1ivx s LEU 257 Ca -0.02 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.24 1ivx s LEU 257 Cb -0.12 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1ivx s LEU 257 CO 0.02 0.22 -0.19 -1.00 0.23 0.00 0.00 176.35 175.63 1ivx s HIS 258 N 0.06 2.52 -1.20 0.29 3.76 0.13 -0.93 115.29 119.92 1ivx s HIS 258 Ca 0.04 -0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1ivx s HIS 258 Cb -0.12 -1.44 0.01 0.00 1.11 0.00 0.00 32.58 32.14 1ivx s HIS 258 CO 0.01 0.25 0.71 0.09 -0.85 0.00 0.00 174.74 174.95 1ivx n ASN 259 N 1.49 -4.32 -4.66 1.40 3.02 0.12 -1.06 115.26 111.26 1ivx n ASN 259 Ca -0.16 -1.11 -0.43 0.00 -0.03 0.00 0.00 54.58 52.85 1ivx n ASN 259 Cb 0.52 -2.81 -0.02 0.00 -0.61 0.00 0.00 39.78 36.86 1ivx n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ivx s ILE 260 N -3.56 4.34 0.11 2.41 1.01 0.12 -4.03 121.20 121.60 1ivx s ILE 260 Ca 0.42 1.61 -0.01 0.00 0.00 0.00 0.00 60.65 62.68 1ivx s ILE 260 Cb -0.18 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1ivx s ILE 260 CO 0.90 -0.16 0.02 0.00 0.00 0.00 0.00 174.94 175.70 1ivx s ALA 261 N 3.50 0.80 -0.07 9.38 0.00 -0.11 -0.89 121.76 134.37 1ivx s ALA 261 Ca 0.53 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1ivx s ALA 261 Cb -0.20 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1ivx s ALA 261 CO 0.14 -0.43 -0.06 0.12 0.00 0.00 0.00 175.76 175.52 1ivx s PHE 262 N -3.97 1.07 -0.94 0.00 2.19 0.11 -0.78 117.98 115.66 1ivx s PHE 262 Ca 0.19 -0.40 -0.24 0.00 0.33 0.00 0.00 56.93 56.80 1ivx s PHE 262 Cb 0.07 -0.91 0.03 0.00 -1.31 0.00 0.00 43.02 40.90 1ivx s PHE 262 CO -0.02 -0.31 1.52 1.03 1.83 0.00 0.00 175.22 179.28 1ivx s ARG 263 N 1.22 3.31 -1.01 10.12 0.52 0.12 -0.33 118.95 132.89 1ivx s ARG 263 Ca -0.05 -0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 54.21 1ivx s ARG 263 Cb -0.14 -5.08 0.12 0.00 0.52 0.00 0.00 34.95 30.37 1ivx s ARG 263 CO -0.02 -2.42 1.27 0.34 0.02 0.00 0.00 175.30 174.49 1ivx s ASP 264 N 5.43 6.69 1.60 0.23 -1.08 0.80 -4.88 116.67 125.47 1ivx s ASP 264 Ca 0.49 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 50.40 1ivx s ASP 264 Cb -0.03 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1ivx s ASP 264 CO -0.03 -1.09 0.00 0.61 0.52 0.00 0.00 175.17 175.17 1ivx n GLY 265 N 5.50 1.41 0.10 2.66 0.00 -1.26 -2.49 105.19 111.11 1ivx n GLY 265 Ca 0.29 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 1ivx n GLY 265 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ivx h ASP 266 N 0.00 0.37 -3.07 1.61 2.03 -2.00 -3.46 116.42 111.90 1ivx h ASP 266 Ca 0.00 -0.44 -0.60 0.00 -0.73 0.00 0.00 57.03 55.26 1ivx h ASP 266 Cb 0.00 -0.12 -0.05 0.00 -0.83 0.00 0.00 39.33 38.33 1ivx h ASP 266 CO 0.00 1.36 -0.18 -0.13 -1.03 0.00 0.00 179.24 179.26 1ivx s ARG 267 N -2.64 3.93 -0.42 4.15 0.52 -1.04 -5.03 118.95 118.43 1ivx s ARG 267 Ca -0.06 0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 55.40 1ivx s ARG 267 Cb 0.07 -3.18 0.02 0.00 0.52 0.00 0.00 34.95 32.38 1ivx s ARG 267 CO 0.86 0.66 0.50 -1.17 0.02 0.00 0.00 175.30 176.17 1ivx s LEU 268 N -1.23 4.72 -0.22 2.53 1.98 -1.26 -0.14 118.68 125.06 1ivx s LEU 268 Ca 0.26 -0.53 -0.11 0.00 -2.89 0.00 0.00 54.13 50.86 1ivx s LEU 268 Cb -0.17 -2.50 -0.05 0.00 0.66 0.00 0.00 46.19 44.14 1ivx s LEU 268 CO 0.15 -0.63 0.19 -0.13 -1.89 0.00 0.00 176.35 174.04 1ivx s ARG 269 N 2.35 4.12 0.46 1.98 0.52 0.55 -4.89 118.95 124.05 1ivx s ARG 269 Ca 0.16 -0.18 -0.21 0.00 -0.52 0.00 0.00 55.73 54.97 1ivx s ARG 269 Cb -0.16 -3.50 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 1ivx s ARG 269 CO 0.15 0.12 1.03 -1.25 0.02 0.00 0.00 175.30 175.37 1ivx s PRO 270 N 0.88 3.95 0.09 3.54 0.04 -1.26 0.07 135.00 142.31 1ivx s PRO 270 Ca 0.10 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1ivx s PRO 270 Cb -0.13 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1ivx s PRO 270 CO 0.03 -0.31 0.00 -0.89 0.04 0.00 0.00 177.00 175.88 1ivx n ILE 271 N -0.69 0.61 -4.39 0.56 5.41 -0.07 0.11 119.36 120.89 1ivx n ILE 271 Ca 0.08 0.20 -0.24 0.00 1.00 0.00 0.00 62.75 63.79 1ivx n ILE 271 Cb 0.52 -1.34 -0.17 0.00 -0.71 0.00 0.00 39.64 37.94 1ivx n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1ivx s ILE 272 N -2.00 1.02 -0.04 1.39 1.01 -0.95 -1.24 121.20 120.41 1ivx s ILE 272 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 1ivx s ILE 272 Cb 0.00 -0.97 -0.22 0.00 0.01 0.00 0.00 42.46 41.28 1ivx s ILE 272 CO 0.00 0.34 1.10 -1.13 0.00 0.00 0.00 174.94 175.25 1ivx h ASN 273 N 7.23 0.21 -3.35 3.58 -0.00 -0.20 0.34 115.58 123.39 1ivx h ASN 273 Ca -0.32 -0.70 -0.25 0.00 -0.00 0.00 0.00 56.30 55.04 1ivx h ASN 273 Cb 1.17 -0.06 -0.32 0.00 -0.00 0.00 0.00 38.32 39.11 1ivx h ASN 273 CO 0.46 0.87 -0.59 -0.60 -0.00 0.00 0.00 177.43 177.57 1ivx s ARG 274 N -3.44 0.10 -0.10 6.67 3.52 -1.01 0.11 118.95 124.79 1ivx s ARG 274 Ca -0.16 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1ivx s ARG 274 Cb 0.01 -0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1ivx s ARG 274 CO 0.73 -0.19 -0.20 0.00 -0.81 0.00 0.00 175.30 174.83 1ivx s ALA 275 N 1.39 1.97 0.21 6.12 0.00 -0.11 -0.77 121.76 130.56 1ivx s ALA 275 Ca -0.07 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1ivx s ALA 275 Cb -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1ivx s ALA 275 CO -0.06 0.14 0.58 -1.54 0.00 0.00 0.00 175.76 174.88 1ivx s SER 276 N 0.59 -0.32 -0.52 0.00 1.04 -0.85 -1.11 113.70 112.54 1ivx s SER 276 Ca -0.14 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.70 1ivx s SER 276 Cb -0.17 0.62 0.09 0.00 0.10 0.00 0.00 66.02 66.66 1ivx s SER 276 CO 0.04 -1.11 0.51 -0.63 0.98 0.00 0.00 173.24 173.04 1ivx s ILE 277 N -3.86 5.10 -0.56 -1.02 -1.09 -1.26 0.11 121.20 118.61 1ivx s ILE 277 Ca 0.08 -1.07 0.26 0.00 -2.23 0.00 0.00 60.65 57.69 1ivx s ILE 277 Cb -0.02 -4.27 0.30 0.00 -1.58 0.00 0.00 42.46 36.88 1ivx s ILE 277 CO -0.02 -0.78 1.75 0.00 -1.23 0.00 0.00 174.94 174.66 1ivx h ALA 278 N 8.90 1.00 -2.52 9.38 0.00 -0.77 -3.44 119.26 131.81 1ivx h ALA 278 Ca -0.29 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ivx h ALA 278 Cb 1.10 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1ivx h ALA 278 CO 0.97 0.00 0.40 -2.00 0.00 0.00 0.00 179.25 178.62 1ivx s GLU 279 N -3.21 1.01 -0.23 0.00 2.56 -1.22 -4.59 118.70 113.01 1ivx s GLU 279 Ca 0.08 -0.39 -0.04 0.00 0.00 0.00 0.00 54.97 54.62 1ivx s GLU 279 Cb 0.10 0.45 0.12 0.00 2.00 0.00 0.00 34.13 36.81 1ivx s GLU 279 CO 0.56 -0.44 0.40 1.41 -0.56 0.00 0.00 175.26 176.62 1ivx s MET 280 N -3.34 0.35 -0.01 4.30 1.75 -1.26 -1.87 119.30 119.21 1ivx s MET 280 Ca 0.04 0.69 0.04 0.00 -1.25 0.00 0.00 55.69 55.21 1ivx s MET 280 Cb -0.01 -0.22 -0.03 0.00 2.84 0.00 0.00 34.83 37.41 1ivx s MET 280 CO -0.09 -0.54 -0.13 0.08 -0.65 0.00 0.00 175.02 173.69 1ivx s VAL 281 N 2.58 3.19 -0.52 10.11 1.01 0.05 -1.00 120.40 135.81 1ivx s VAL 281 Ca 0.09 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1ivx s VAL 281 Cb -0.15 -2.32 0.16 0.00 0.00 0.00 0.00 36.38 34.08 1ivx s VAL 281 CO -0.15 0.48 0.38 -0.69 0.00 0.00 0.00 175.10 175.11 1ivx s VAL 282 N -0.86 1.48 0.19 2.92 1.01 0.56 -0.75 120.40 124.97 1ivx s VAL 282 Ca 0.14 -3.22 -0.29 0.00 0.00 0.00 0.00 61.98 58.61 1ivx s VAL 282 Cb -0.11 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.19 1ivx s VAL 282 CO 0.04 -1.08 0.90 -2.16 0.00 0.00 0.00 175.10 172.79 1ivx s PRO 283 N -0.43 4.75 -0.09 2.72 0.04 -1.18 -2.11 135.00 138.71 1ivx s PRO 283 Ca 0.27 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 1ivx s PRO 283 Cb -0.05 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1ivx s PRO 283 CO -0.15 0.47 0.08 0.71 0.04 0.00 0.00 177.00 178.16 1ivx s TYR 284 N -0.93 3.39 -0.34 0.56 1.51 -1.04 -1.27 117.35 119.24 1ivx s TYR 284 Ca 0.41 0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.91 1ivx s TYR 284 Cb -0.25 -1.85 0.61 0.00 -0.11 0.00 0.00 41.96 40.36 1ivx s TYR 284 CO 0.30 0.61 1.67 0.41 -1.11 0.00 0.00 175.55 177.43 1ivx n GLY 285 N 1.90 4.45 3.59 0.71 0.00 0.17 -4.91 105.19 111.10 1ivx n GLY 285 Ca -0.18 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 1ivx n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ivx s ASP 286 N -1.80 6.29 0.00 1.61 2.15 -1.26 -4.83 116.67 118.83 1ivx s ASP 286 Ca 0.50 0.21 0.07 0.00 0.43 0.00 0.00 52.55 53.77 1ivx s ASP 286 Cb 0.43 -2.23 0.44 0.00 -0.30 0.00 0.00 42.92 41.26 1ivx s ASP 286 CO 0.07 -0.27 1.12 -0.81 -0.17 0.00 0.00 175.17 175.10 1ivx n PRO 287 N 5.45 0.81 -2.15 4.34 -0.04 -1.26 -3.53 135.00 138.62 1ivx n PRO 287 Ca -0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1ivx n PRO 287 Cb 0.50 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 1ivx n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ivx s SER 288 N -1.42 6.80 0.61 3.54 0.15 -1.26 -4.74 113.70 117.37 1ivx s SER 288 Ca 0.11 2.32 0.33 0.00 0.70 0.00 0.00 55.95 59.41 1ivx s SER 288 Cb 0.05 -2.58 1.79 0.00 -1.71 0.00 0.00 66.02 63.57 1ivx s SER 288 CO 0.09 -0.69 2.00 1.55 1.20 0.00 0.00 173.24 177.39 1ivx h PRO 289 N 7.03 0.00 0.00 5.44 0.13 -1.97 0.67 132.00 143.30 1ivx h PRO 289 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1ivx h PRO 289 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ivx h PRO 289 CO 0.88 0.00 -0.30 0.82 -0.23 0.00 0.00 178.00 179.16 1ivx h ILE 290 N 0.00 0.73 0.00 -3.56 1.08 -1.94 -3.36 117.51 110.45 1ivx h ILE 290 Ca 0.00 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1ivx h ILE 290 Cb 0.37 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1ivx h ILE 290 CO 0.00 0.30 0.00 0.54 -0.69 0.00 0.00 178.15 178.30 1ivx n ARG 291 N -3.46 -0.10 0.00 2.37 1.74 0.13 -4.86 116.66 112.48 1ivx n ARG 291 Ca -0.00 -0.11 0.07 0.00 -0.77 0.00 0.00 57.85 57.04 1ivx n ARG 291 Cb 0.47 -0.57 0.40 0.00 -1.02 0.00 0.00 32.46 31.74 1ivx n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ivx n SER 292 N -0.00 0.00 -0.23 0.55 3.41 0.19 -1.62 113.62 115.91 1ivx n SER 292 Ca 0.00 -0.37 0.06 0.00 -0.26 0.00 0.00 58.87 58.30 1ivx n SER 292 Cb 0.23 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1ivx n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1ivx n TRP 293 N -1.03 0.00 -2.26 7.33 4.27 -1.26 -4.99 117.44 119.50 1ivx n TRP 293 Ca 0.10 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.28 1ivx n TRP 293 Cb 0.05 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.98 1ivx n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1ivx s GLN 294 N -1.74 3.78 -0.26 -2.67 0.74 -0.64 -4.75 119.66 114.12 1ivx s GLN 294 Ca 0.09 1.38 -0.03 0.00 0.05 0.00 0.00 55.36 56.85 1ivx s GLN 294 Cb 0.10 -3.98 0.15 0.00 1.10 0.00 0.00 33.01 30.37 1ivx s GLN 294 CO 0.36 -1.30 0.45 -0.80 -0.55 0.00 0.00 175.29 173.45 1ivx s ASN 295 N 3.75 -0.31 -0.04 6.67 0.01 -1.26 -2.51 114.94 121.26 1ivx s ASN 295 Ca 0.65 0.52 -0.19 0.00 -0.71 0.00 0.00 52.86 53.13 1ivx s ASN 295 Cb -0.20 1.47 -0.05 0.00 0.41 0.00 0.00 41.25 42.88 1ivx s ASN 295 CO 0.28 -0.28 0.53 -0.31 -1.51 0.00 0.00 177.10 175.80 1ivx s TYR 296 N 2.65 3.64 -0.84 2.20 1.51 -0.90 -4.81 117.35 120.80 1ivx s TYR 296 Ca 0.13 1.06 0.01 0.00 -1.01 0.00 0.00 57.07 57.26 1ivx s TYR 296 Cb -0.15 -2.54 0.22 0.00 -0.11 0.00 0.00 41.96 39.38 1ivx s TYR 296 CO -0.17 0.34 0.76 1.19 -1.11 0.00 0.00 175.55 176.57 1ivx n PHE 297 N 2.88 3.85 -0.15 2.71 3.01 -1.26 -0.32 117.46 128.17 1ivx n PHE 297 Ca -0.08 -4.09 0.21 0.00 1.01 0.00 0.00 57.45 54.50 1ivx n PHE 297 Cb 0.51 -0.97 0.60 0.00 -0.01 0.00 0.00 39.48 39.62 1ivx n PHE 297 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ivx h ASP 298 N 5.61 0.21 0.00 4.37 5.19 -1.45 0.27 116.42 130.62 1ivx h ASP 298 Ca 0.17 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1ivx h ASP 298 Cb 0.77 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1ivx h ASP 298 CO 0.86 0.09 -0.30 0.74 -3.12 0.00 0.00 179.24 177.51 1ivx h THR 299 N 0.22 0.00 0.38 0.35 2.02 -1.85 -2.25 112.91 111.77 1ivx h THR 299 Ca 0.39 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1ivx h THR 299 Cb 1.19 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ivx h THR 299 CO -0.08 0.00 -0.49 1.23 0.37 0.00 0.00 175.52 176.55 1ivx h GLY 300 N -0.79 -1.16 1.01 2.16 0.00 -1.83 -1.08 103.07 101.39 1ivx h GLY 300 Ca 0.00 0.58 -0.27 0.00 0.00 0.00 0.00 47.33 47.63 1ivx h GLY 300 CO 0.00 -0.34 -1.20 0.83 0.00 0.00 0.00 176.54 175.83 1ivx h GLU 301 N -0.90 0.44 -0.01 4.80 5.08 -0.75 -3.41 114.58 119.84 1ivx h GLU 301 Ca -0.04 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.56 1ivx h GLU 301 Cb 0.82 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ivx h GLU 301 CO -0.13 1.36 -0.62 0.66 -1.00 0.00 0.00 179.01 179.29 1ivx n TYR 302 N -3.89 0.00 -2.70 4.33 4.02 -1.09 -1.64 117.16 116.19 1ivx n TYR 302 Ca -0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.71 1ivx n TYR 302 Cb 0.99 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.29 1ivx n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ivx n LEU 303 N -0.86 -7.16 -0.17 7.72 4.77 -0.41 -4.84 117.00 116.05 1ivx n LEU 303 Ca 0.05 1.74 -0.06 0.00 -0.03 0.00 0.00 56.01 57.71 1ivx n LEU 303 Cb 0.31 -3.26 0.04 0.00 -2.33 0.00 0.00 43.42 38.17 1ivx n LEU 303 CO 0.29 -3.50 1.06 -0.37 -1.33 0.00 0.00 177.39 173.53 1ivx h VAL 304 N 3.52 1.05 -0.12 4.08 -1.51 -1.08 -2.33 116.25 119.87 1ivx h VAL 304 Ca -0.22 -0.21 0.04 0.00 -1.23 0.00 0.00 66.70 65.08 1ivx h VAL 304 Cb 0.52 0.40 -0.00 0.00 -2.13 0.00 0.00 31.29 30.08 1ivx h VAL 304 CO 0.06 0.11 0.10 1.23 -1.23 0.00 0.00 177.57 177.84 1ivx h GLY 305 N 0.60 0.00 0.94 5.19 0.00 0.37 -2.20 103.07 107.97 1ivx h GLY 305 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.56 1ivx h GLY 305 CO -0.09 0.00 0.66 -1.61 0.00 0.00 0.00 176.54 175.50 1ivx h GLN 306 N 0.00 1.28 -0.84 4.80 4.15 -0.49 -2.98 115.11 121.03 1ivx h GLN 306 Ca 0.06 -0.08 -0.27 0.00 0.77 0.00 0.00 58.65 59.13 1ivx h GLN 306 Cb 0.26 -0.29 -0.16 0.00 0.21 0.00 0.00 27.48 27.50 1ivx h GLN 306 CO -0.00 0.85 0.34 0.66 -1.93 0.00 0.00 178.83 178.75 1ivx n TYR 307 N -4.41 2.42 -1.91 3.99 4.01 -0.83 -5.00 117.16 115.43 1ivx n TYR 307 Ca 0.13 -1.27 -0.37 0.00 -0.16 0.00 0.00 57.90 56.23 1ivx n TYR 307 Cb 0.06 -0.71 0.04 0.00 -0.31 0.00 0.00 39.34 38.42 1ivx n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ivx s ALA 308 N -2.83 2.57 0.39 -0.72 0.00 -1.13 -2.48 121.76 117.56 1ivx s ALA 308 Ca 0.51 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1ivx s ALA 308 Cb 0.41 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1ivx s ALA 308 CO 0.12 -1.30 0.58 -0.80 0.00 0.00 0.00 175.76 174.36 1ivx s ASN 309 N -1.39 5.97 -0.42 0.00 0.01 0.15 -4.92 114.94 114.34 1ivx s ASN 309 Ca 0.77 0.17 -0.19 0.00 -0.71 0.00 0.00 52.86 52.90 1ivx s ASN 309 Cb -0.34 -1.55 0.02 0.00 0.41 0.00 0.00 41.25 39.78 1ivx s ASN 309 CO 0.38 -0.53 0.57 -0.44 -1.51 0.00 0.00 177.10 175.57 1ivx s SER 310 N -4.16 6.29 -0.27 -1.22 0.01 -1.26 -4.12 113.70 108.97 1ivx s SER 310 Ca 0.45 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.07 1ivx s SER 310 Cb -0.10 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1ivx s SER 310 CO 0.35 -0.67 1.78 -0.76 0.41 0.00 0.00 173.24 174.35 1ivx s LEU 311 N 2.57 3.65 -0.18 2.44 1.43 -0.08 -4.97 118.68 123.54 1ivx s LEU 311 Ca 0.19 1.50 -0.26 0.00 -1.03 0.00 0.00 54.13 54.54 1ivx s LEU 311 Cb -0.15 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1ivx s LEU 311 CO 0.17 -1.56 0.85 -1.61 0.23 0.00 0.00 176.35 174.42 1ivx s GLU 312 N 5.36 4.28 0.11 1.70 0.41 -1.26 -4.90 118.70 124.41 1ivx s GLU 312 Ca 0.79 1.04 -0.31 0.00 -0.41 0.00 0.00 54.97 56.08 1ivx s GLU 312 Cb -0.25 -3.59 -0.10 0.00 -1.78 0.00 0.00 34.13 28.42 1ivx s GLU 312 CO 0.33 -0.38 1.77 -1.17 -0.49 0.00 0.00 175.26 175.33 1ivx s LEU 313 N 2.32 4.39 0.00 1.80 2.96 -1.26 -0.59 118.68 128.30 1ivx s LEU 313 Ca 0.38 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1ivx s LEU 313 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1ivx s LEU 313 CO 0.11 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 1ivx n GLY 314 N 4.16 2.98 0.05 7.98 0.00 0.03 -4.83 105.19 115.57 1ivx n GLY 314 Ca 0.17 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1ivx n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx h ASP 316 N -0.67 0.49 -3.18 0.00 5.19 -1.17 -3.46 116.42 113.63 1ivx h ASP 316 Ca 0.00 -0.95 -0.60 0.00 -0.62 0.00 0.00 57.03 54.86 1ivx h ASP 316 Cb 0.40 -0.16 -0.36 0.00 0.18 0.00 0.00 39.33 39.39 1ivx h ASP 316 CO 0.00 1.84 -0.83 0.00 -3.12 0.00 0.00 179.24 177.13 1ivx s LEU 318 N 1.49 3.06 0.00 0.00 2.96 -1.26 -0.79 118.68 124.14 1ivx s LEU 318 Ca 0.04 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1ivx s LEU 318 Cb -0.13 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.84 1ivx s LEU 318 CO -0.10 0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 1ivx n GLY 319 N 3.51 0.39 3.42 7.98 0.00 -1.26 -4.92 105.19 114.32 1ivx n GLY 319 Ca -0.18 -2.12 -0.44 0.00 0.00 0.00 0.00 46.02 43.29 1ivx n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ivx s ASP 320 N -4.00 6.18 -0.04 1.61 -1.08 -1.26 -4.97 116.67 113.11 1ivx s ASP 320 Ca 0.00 -1.14 -0.02 0.00 -0.52 0.00 0.00 52.55 50.87 1ivx s ASP 320 Cb 0.00 -2.37 -0.04 0.00 -1.46 0.00 0.00 42.92 39.06 1ivx s ASP 320 CO 0.00 -1.28 0.08 -0.63 0.52 0.00 0.00 175.17 173.86 1ivx s ILE 321 N 3.44 4.78 -0.15 4.11 -1.09 -1.26 -4.63 121.20 126.40 1ivx s ILE 321 Ca 0.18 -0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1ivx s ILE 321 Cb -0.20 -3.14 0.01 0.00 -1.58 0.00 0.00 42.46 37.56 1ivx s ILE 321 CO 0.09 0.44 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.14 1ivx s THR 322 N -1.11 2.06 0.14 2.92 2.01 0.51 -4.97 115.64 117.19 1ivx s THR 322 Ca 0.20 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1ivx s THR 322 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1ivx s THR 322 CO 0.10 0.55 0.15 -0.31 -0.69 0.00 0.00 174.62 174.42 1ivx s TYR 323 N 0.97 3.24 0.00 4.92 2.02 -1.26 -0.59 117.35 126.65 1ivx s TYR 323 Ca -0.03 0.04 0.07 0.00 -0.37 0.00 0.00 57.07 56.78 1ivx s TYR 323 Cb -0.15 -1.58 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1ivx s TYR 323 CO -0.06 0.52 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.73 1ivx s LEU 324 N -2.92 2.08 -0.60 -1.29 1.43 -0.48 -4.99 118.68 111.90 1ivx s LEU 324 Ca 0.31 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1ivx s LEU 324 Cb -0.11 -1.05 0.15 0.00 0.03 0.00 0.00 46.19 45.21 1ivx s LEU 324 CO 0.24 0.23 0.37 -0.44 0.23 0.00 0.00 176.35 176.98 1ivx s SER 325 N -0.73 4.68 1.03 2.29 0.01 -1.26 -1.97 113.70 117.76 1ivx s SER 325 Ca 0.08 -3.22 -0.12 0.00 1.31 0.00 0.00 55.95 54.00 1ivx s SER 325 Cb -0.08 -1.69 0.21 0.00 0.21 0.00 0.00 66.02 64.66 1ivx s SER 325 CO 0.00 -0.22 1.08 -2.16 0.41 0.00 0.00 173.24 172.35 1ivx s PRO 326 N -0.58 0.14 -0.07 12.44 0.04 -1.24 -4.63 135.00 141.10 1ivx s PRO 326 Ca 0.19 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.34 1ivx s PRO 326 Cb -0.19 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1ivx s PRO 326 CO -0.05 -3.08 -0.16 0.08 0.04 0.00 0.00 177.00 173.83 1ivx s VAL 327 N -2.62 1.42 0.38 -0.36 1.01 -1.26 -0.49 120.40 118.48 1ivx s VAL 327 Ca 0.67 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1ivx s VAL 327 Cb -0.23 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1ivx s VAL 327 CO 0.61 0.42 0.01 2.30 0.00 0.00 0.00 175.10 178.43 1ivx n ILE 328 N 3.66 0.00 -4.43 2.22 -5.35 0.83 -4.84 119.36 111.45 1ivx n ILE 328 Ca -0.21 -1.82 -0.32 0.00 -0.27 0.00 0.00 62.75 60.13 1ivx n ILE 328 Cb 0.52 0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 38.70 1ivx n ILE 328 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ivx s SER 329 N -3.10 4.55 0.86 7.28 0.15 -1.26 0.91 113.70 123.09 1ivx s SER 329 Ca 0.01 -0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 1ivx s SER 329 Cb 0.00 -1.02 0.10 0.00 -1.71 0.00 0.00 66.02 63.39 1ivx s SER 329 CO 0.01 0.26 0.58 -0.90 1.20 0.00 0.00 173.24 174.39 1ivx n ASP 330 N 1.41 0.23 0.03 5.45 3.85 0.10 -4.84 116.55 122.78 1ivx n ASP 330 Ca -0.15 -1.32 0.05 0.00 -0.71 0.00 0.00 54.79 52.66 1ivx n ASP 330 Cb 0.52 -0.43 0.25 0.00 -1.35 0.00 0.00 41.12 40.11 1ivx n ASP 330 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ivx n ALA 331 N -3.27 1.36 -0.08 2.12 0.00 -1.26 -2.03 120.51 117.35 1ivx n ALA 331 Ca -0.09 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1ivx n ALA 331 Cb 0.28 -1.17 0.15 0.00 0.00 0.00 0.00 19.45 18.70 1ivx n ALA 331 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ivx n PHE 332 N -1.66 0.43 -0.63 0.00 3.72 -1.26 0.16 117.46 118.23 1ivx n PHE 332 Ca 0.02 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 1ivx n PHE 332 Cb 0.10 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1ivx n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ivx n GLY 333 N 0.65 0.72 3.79 1.37 0.00 -0.86 -4.99 105.19 105.87 1ivx n GLY 333 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ivx n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ivx s ASN 334 N -2.27 7.17 0.18 1.61 -0.87 -1.26 -4.40 114.94 115.10 1ivx s ASN 334 Ca 0.00 1.38 -0.30 0.00 -1.57 0.00 0.00 52.86 52.37 1ivx s ASN 334 Cb 0.00 -2.41 -0.08 0.00 -0.02 0.00 0.00 41.25 38.74 1ivx s ASN 334 CO 0.00 0.20 1.21 -2.16 -2.57 0.00 0.00 177.10 173.78 1ivx s PRO 335 N -0.87 4.48 -0.12 -0.60 0.04 -1.26 0.02 135.00 136.69 1ivx s PRO 335 Ca 0.32 1.88 0.01 0.00 0.04 0.00 0.00 61.00 63.26 1ivx s PRO 335 Cb -0.20 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1ivx s PRO 335 CO 0.21 -0.11 -0.16 0.50 0.04 0.00 0.00 177.00 177.48 1ivx s ARG 336 N -0.12 2.35 -0.04 4.56 3.52 0.26 -4.87 118.95 124.62 1ivx s ARG 336 Ca 0.54 -0.60 -0.22 0.00 -0.13 0.00 0.00 55.73 55.31 1ivx s ARG 336 Cb -0.33 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1ivx s ARG 336 CO 0.36 -0.10 0.66 -2.00 -0.81 0.00 0.00 175.30 173.41 1ivx s GLU 337 N 1.10 4.41 -1.06 5.12 2.12 -1.26 -0.12 118.70 129.00 1ivx s GLU 337 Ca -0.04 0.83 -0.12 0.00 0.36 0.00 0.00 54.97 56.01 1ivx s GLU 337 Cb -0.14 -3.41 0.24 0.00 0.26 0.00 0.00 34.13 31.08 1ivx s GLU 337 CO -0.04 0.19 1.10 0.42 -0.54 0.00 0.00 175.26 176.39 1ivx s ILE 338 N 0.39 5.67 0.08 -3.70 1.01 0.35 -4.98 121.20 120.02 1ivx s ILE 338 Ca 0.35 -2.98 -0.35 0.00 0.00 0.00 0.00 60.65 57.67 1ivx s ILE 338 Cb -0.18 -4.65 -0.14 0.00 0.01 0.00 0.00 42.46 37.50 1ivx s ILE 338 CO 0.18 -1.26 1.59 -1.14 0.00 0.00 0.00 174.94 174.31 1ivx n ARG 339 N 3.74 1.91 -3.51 2.79 0.63 -1.26 -1.76 116.66 119.19 1ivx n ARG 339 Ca 0.24 0.69 -0.26 0.00 -0.92 0.00 0.00 57.85 57.60 1ivx n ARG 339 Cb 0.42 -2.44 0.01 0.00 0.45 0.00 0.00 32.46 30.90 1ivx n ARG 339 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ivx n ASN 340 N 3.87 -4.35 0.13 6.15 3.02 -1.24 -4.17 115.26 118.67 1ivx n ASN 340 Ca 0.19 -0.51 0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1ivx n ASN 340 Cb 0.26 -3.54 0.44 0.00 -0.61 0.00 0.00 39.78 36.33 1ivx n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ivx h GLY 341 N -1.36 0.00 -5.80 7.41 0.00 -0.93 -0.18 103.07 102.22 1ivx h GLY 341 Ca -0.49 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.23 1ivx h GLY 341 CO 0.59 0.00 -0.85 -0.42 0.00 0.00 0.00 176.54 175.86 1ivx s ILE 342 N -3.21 1.66 -0.14 2.60 1.01 -0.83 -4.41 121.20 117.87 1ivx s ILE 342 Ca 0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1ivx s ILE 342 Cb 0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1ivx s ILE 342 CO 0.52 0.47 -0.02 0.00 0.00 0.00 0.00 174.94 175.91 1ivx s MET 344 N 0.08 0.68 0.08 0.00 -1.94 0.25 -1.26 119.30 117.19 1ivx s MET 344 Ca 0.01 -0.10 -0.27 0.00 -1.71 0.00 0.00 55.69 53.62 1ivx s MET 344 Cb -0.13 -0.71 0.08 0.00 2.01 0.00 0.00 34.83 36.08 1ivx s MET 344 CO 0.02 -0.05 1.02 -3.38 -0.01 0.00 0.00 175.02 172.62 1ivx s HIS 345 N 0.73 -0.15 0.09 -0.03 -3.43 -1.00 -0.36 115.29 111.14 1ivx s HIS 345 Ca -0.09 -0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.17 1ivx s HIS 345 Cb -0.12 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 1ivx s HIS 345 CO -0.00 -0.66 -0.16 -1.83 -2.00 0.00 0.00 174.74 170.09 1ivx s GLU 346 N -3.07 1.93 0.02 -0.38 -1.05 -1.26 0.14 118.70 115.04 1ivx s GLU 346 Ca 0.11 -1.09 -0.01 0.00 -0.15 0.00 0.00 54.97 53.83 1ivx s GLU 346 Cb -0.00 -2.18 -0.02 0.00 -0.44 0.00 0.00 34.13 31.49 1ivx s GLU 346 CO -0.01 0.50 -0.01 -1.83 0.95 0.00 0.00 175.26 174.86 1ivx s GLU 347 N -1.98 0.37 0.36 -4.83 -1.05 0.37 -4.93 118.70 107.00 1ivx s GLU 347 Ca 0.18 -0.65 -0.28 0.00 -0.15 0.00 0.00 54.97 54.06 1ivx s GLU 347 Cb -0.11 0.13 -0.11 0.00 -0.44 0.00 0.00 34.13 33.61 1ivx s GLU 347 CO 0.10 -0.07 1.47 0.34 0.95 0.00 0.00 175.26 178.05 1ivx s ASP 348 N -1.62 6.41 -0.35 0.83 2.15 -1.26 -0.94 116.67 121.89 1ivx s ASP 348 Ca -0.13 2.99 0.13 0.00 0.43 0.00 0.00 52.55 55.97 1ivx s ASP 348 Cb -0.08 -2.66 0.45 0.00 -0.30 0.00 0.00 42.92 40.33 1ivx s ASP 348 CO -0.02 -0.83 1.05 1.87 -0.17 0.00 0.00 175.17 177.07 1ivx n TRP 349 N 0.70 2.09 -4.83 -5.34 -0.00 -0.38 -4.80 117.44 104.88 1ivx n TRP 349 Ca 0.02 -2.74 0.00 0.00 -0.00 0.00 0.00 57.50 54.77 1ivx n TRP 349 Cb 0.39 -0.26 0.00 0.00 -0.00 0.00 0.00 31.31 31.45 1ivx n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ivx n GLY 350 N -0.35 1.44 3.74 5.87 0.00 -1.26 -4.41 105.19 110.21 1ivx n GLY 350 Ca 0.22 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1ivx n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ivx s ILE 351 N 0.00 4.51 -0.20 -0.61 -1.09 -1.26 -0.09 121.20 122.46 1ivx s ILE 351 Ca 0.00 1.94 -0.16 0.00 -2.23 0.00 0.00 60.65 60.20 1ivx s ILE 351 Cb 0.00 -4.26 -0.20 0.00 -1.58 0.00 0.00 42.46 36.42 1ivx s ILE 351 CO 0.00 0.36 0.16 -0.11 -1.23 0.00 0.00 174.94 174.12 1ivx n LEU 352 N 2.60 2.10 -3.58 2.97 7.94 0.74 -4.54 117.00 125.23 1ivx n LEU 352 Ca 0.00 0.34 -0.16 0.00 -1.11 0.00 0.00 56.01 55.08 1ivx n LEU 352 Cb 0.49 -0.98 -0.07 0.00 0.53 0.00 0.00 43.42 43.39 1ivx n LEU 352 CO 0.50 0.48 0.38 0.00 -1.11 0.00 0.00 177.39 177.64 1ivx s ALA 353 N -2.43 -1.65 -0.20 1.96 0.00 -1.20 -4.97 121.76 113.26 1ivx s ALA 353 Ca -0.29 1.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 1ivx s ALA 353 Cb 0.07 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1ivx s ALA 353 CO 0.62 -0.34 0.68 0.21 0.00 0.00 0.00 175.76 176.92 1ivx s LYS 354 N -0.72 0.86 -0.29 0.00 2.20 -1.26 -1.33 119.74 119.20 1ivx s LYS 354 Ca -0.08 0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 56.15 1ivx s LYS 354 Cb -0.02 0.41 0.11 0.00 -1.51 0.00 0.00 37.83 36.82 1ivx s LYS 354 CO 0.07 -0.15 0.77 -1.58 -0.36 0.00 0.00 175.35 174.09 1ivx s HIS 355 N -0.03 -0.97 -0.41 4.03 2.46 0.55 -5.01 115.29 115.91 1ivx s HIS 355 Ca -0.03 1.88 -0.09 0.00 0.47 0.00 0.00 55.06 57.29 1ivx s HIS 355 Cb -0.04 0.58 0.07 0.00 -0.13 0.00 0.00 32.58 33.06 1ivx s HIS 355 CO 0.03 -0.48 0.25 0.45 -2.47 0.00 0.00 174.74 172.52 1ivx s SER 356 N 1.79 5.64 -0.23 9.88 0.15 -1.26 -0.25 113.70 129.43 1ivx s SER 356 Ca -0.09 -1.42 -0.15 0.00 0.70 0.00 0.00 55.95 54.99 1ivx s SER 356 Cb -0.06 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1ivx s SER 356 CO -0.19 -0.51 0.35 -0.62 1.20 0.00 0.00 173.24 173.47 1ivx s ASP 357 N 2.02 6.33 -0.01 5.45 -1.08 -0.61 -4.98 116.67 123.79 1ivx s ASP 357 Ca 0.03 0.39 -0.25 0.00 -0.52 0.00 0.00 52.55 52.19 1ivx s ASP 357 Cb -0.22 -2.20 -0.19 0.00 -1.46 0.00 0.00 42.92 38.84 1ivx s ASP 357 CO 0.03 -0.08 1.28 0.25 0.52 0.00 0.00 175.17 177.17 1ivx h LEU 358 N 7.85 -0.05 -1.15 -1.34 5.85 -1.96 -0.98 115.31 123.53 1ivx h LEU 358 Ca -0.35 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 57.98 1ivx h LEU 358 Cb 1.16 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1ivx h LEU 358 CO 0.69 0.39 0.58 -0.50 -0.34 0.00 0.00 178.44 179.26 1ivx h TRP 359 N -0.50 1.07 0.00 1.25 6.55 -1.98 -3.10 115.95 119.24 1ivx h TRP 359 Ca -0.01 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.84 1ivx h TRP 359 Cb 0.45 -0.36 -0.00 0.00 -0.86 0.00 0.00 29.16 28.39 1ivx h TRP 359 CO 0.07 0.65 -1.62 -1.13 -1.05 0.00 0.00 178.44 175.37 1ivx n SER 360 N -4.42 0.35 0.00 -3.49 3.41 -1.24 -4.97 113.62 103.26 1ivx n SER 360 Ca 0.11 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1ivx n SER 360 Cb 0.06 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 65.31 1ivx n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ivx n GLY 361 N 1.25 0.88 3.68 5.00 0.00 -0.37 -5.01 105.19 110.62 1ivx n GLY 361 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1ivx n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ivx s ILE 362 N -3.51 5.03 -0.22 -0.61 1.01 -1.24 -4.91 121.20 116.75 1ivx s ILE 362 Ca 0.00 1.24 -0.06 0.00 0.00 0.00 0.00 60.65 61.83 1ivx s ILE 362 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 1ivx s ILE 362 CO 0.00 0.15 0.04 0.20 0.00 0.00 0.00 174.94 175.33 1ivx s ASN 363 N 1.08 5.12 -0.06 3.58 0.01 -1.26 -1.57 114.94 121.84 1ivx s ASN 363 Ca 0.31 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.33 1ivx s ASN 363 Cb -0.16 -1.89 0.02 0.00 0.41 0.00 0.00 41.25 39.62 1ivx s ASN 363 CO 0.12 0.05 -0.08 -0.47 -1.51 0.00 0.00 177.10 175.20 1ivx s TYR 364 N 1.11 1.13 -0.01 2.20 6.14 0.66 -5.00 117.35 123.57 1ivx s TYR 364 Ca 0.04 -0.39 -0.02 0.00 0.64 0.00 0.00 57.07 57.33 1ivx s TYR 364 Cb -0.14 -0.88 0.00 0.00 0.42 0.00 0.00 41.96 41.35 1ivx s TYR 364 CO 0.03 -0.24 0.06 0.99 0.64 0.00 0.00 175.55 177.02 1ivx s THR 365 N 0.81 0.03 -0.00 4.34 2.01 -1.26 -0.33 115.64 121.24 1ivx s THR 365 Ca -0.12 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1ivx s THR 365 Cb -0.15 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1ivx s THR 365 CO 0.02 -0.14 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.62 1ivx s ARG 366 N -0.43 0.45 0.19 4.92 1.81 -0.44 -4.84 118.95 120.61 1ivx s ARG 366 Ca -0.05 -0.25 -0.21 0.00 -1.72 0.00 0.00 55.73 53.50 1ivx s ARG 366 Cb -0.03 -0.42 -0.08 0.00 -0.45 0.00 0.00 34.95 33.97 1ivx s ARG 366 CO 0.00 0.11 0.72 1.03 -0.68 0.00 0.00 175.30 176.48 1ivx s ARG 367 N -0.25 4.33 0.30 3.54 1.81 -1.26 -0.18 118.95 127.24 1ivx s ARG 367 Ca 0.01 0.93 0.05 0.00 -1.72 0.00 0.00 55.73 55.01 1ivx s ARG 367 Cb -0.03 -3.03 -0.02 0.00 -0.45 0.00 0.00 34.95 31.42 1ivx s ARG 367 CO -0.00 0.48 0.44 1.21 -0.68 0.00 0.00 175.30 176.74 1ivx s ASN 368 N -1.44 6.12 0.07 0.23 3.04 0.87 -4.48 114.94 119.36 1ivx s ASN 368 Ca 0.39 -0.03 -0.19 0.00 0.04 0.00 0.00 52.86 53.06 1ivx s ASN 368 Cb -0.19 -1.53 0.04 0.00 -1.54 0.00 0.00 41.25 38.03 1ivx s ASN 368 CO 0.22 -0.29 0.46 0.00 -3.04 0.00 0.00 177.10 174.45 1ivx s ARG 369 N -4.12 1.03 0.07 0.43 1.70 -1.26 -1.25 118.95 115.55 1ivx s ARG 369 Ca 0.40 -0.41 0.06 0.00 -0.47 0.00 0.00 55.73 55.31 1ivx s ARG 369 Cb -0.09 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.72 1ivx s ARG 369 CO 0.31 -0.38 -0.15 -0.98 -1.08 0.00 0.00 175.30 173.02 1ivx s ARG 370 N -2.89 0.87 -0.22 3.89 1.70 -0.11 -2.94 118.95 119.24 1ivx s ARG 370 Ca -0.03 -0.98 -0.10 0.00 -0.47 0.00 0.00 55.73 54.16 1ivx s ARG 370 Cb -0.00 -0.91 -0.05 0.00 -0.57 0.00 0.00 34.95 33.42 1ivx s ARG 370 CO -0.05 0.21 0.13 1.41 -1.08 0.00 0.00 175.30 175.92 1ivx s MET 371 N -1.74 4.09 -0.17 3.89 -2.45 0.25 -0.48 119.30 122.69 1ivx s MET 371 Ca -0.01 -0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.12 1ivx s MET 371 Cb -0.10 -3.45 -0.03 0.00 1.25 0.00 0.00 34.83 32.50 1ivx s MET 371 CO 0.02 0.16 -0.02 0.08 1.05 0.00 0.00 175.02 176.32 1ivx s VAL 372 N 0.74 4.03 -0.21 10.11 1.01 0.12 -1.38 120.40 134.82 1ivx s VAL 372 Ca 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1ivx s VAL 372 Cb -0.13 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.52 1ivx s VAL 372 CO 0.02 0.47 -0.03 -0.63 0.00 0.00 0.00 175.10 174.93 1ivx s ILE 373 N 0.50 1.22 0.17 2.22 1.01 -0.23 -2.37 121.20 123.72 1ivx s ILE 373 Ca -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1ivx s ILE 373 Cb -0.14 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1ivx s ILE 373 CO 0.02 -0.08 0.11 -0.94 0.00 0.00 0.00 174.94 174.06 1ivx s SER 374 N 1.54 0.20 0.03 3.58 1.04 -0.39 -0.92 113.70 118.79 1ivx s SER 374 Ca -0.03 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 54.94 1ivx s SER 374 Cb -0.18 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1ivx s SER 374 CO -0.07 -0.80 0.35 0.72 0.98 0.00 0.00 173.24 174.42 1ivx s PHE 375 N -4.11 -0.19 0.05 5.02 -0.71 -0.98 -0.28 117.98 116.78 1ivx s PHE 375 Ca 0.32 0.13 0.09 0.00 -1.04 0.00 0.00 56.93 56.43 1ivx s PHE 375 Cb 0.07 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 1ivx s PHE 375 CO 0.08 -0.52 -0.25 0.12 -1.34 0.00 0.00 175.22 173.31 1ivx s PHE 376 N -2.34 2.22 0.08 3.49 2.19 -1.26 -1.57 117.98 120.78 1ivx s PHE 376 Ca -0.06 -0.40 0.04 0.00 0.33 0.00 0.00 56.93 56.83 1ivx s PHE 376 Cb -0.01 -1.32 -0.03 0.00 -1.31 0.00 0.00 43.02 40.35 1ivx s PHE 376 CO -0.02 0.13 -0.12 -0.08 1.83 0.00 0.00 175.22 176.97 1ivx s THR 377 N -0.82 0.96 -0.13 0.12 -1.32 -0.20 -0.67 115.64 113.57 1ivx s THR 377 Ca 0.11 -1.38 0.01 0.00 -1.21 0.00 0.00 61.69 59.22 1ivx s THR 377 Cb -0.10 -1.09 0.02 0.00 -1.51 0.00 0.00 72.50 69.82 1ivx s THR 377 CO 0.02 -0.37 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.01 1ivx s THR 378 N -1.69 1.63 -0.61 5.08 2.01 -1.04 -1.12 115.64 119.90 1ivx s THR 378 Ca -0.01 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1ivx s THR 378 Cb -0.08 -1.49 0.15 0.00 0.01 0.00 0.00 72.50 71.10 1ivx s THR 378 CO 0.01 0.47 0.39 -0.63 -0.69 0.00 0.00 174.62 174.17 1ivx s ILE 379 N 1.10 2.57 0.00 1.82 -1.09 -1.26 -4.75 121.20 119.59 1ivx s ILE 379 Ca -0.03 -3.75 0.00 0.00 -2.23 0.00 0.00 60.65 54.64 1ivx s ILE 379 Cb -0.14 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1ivx s ILE 379 CO -0.04 -0.93 0.00 0.61 -1.23 0.00 0.00 174.94 173.34 1ivx n GLY 380 N 2.52 1.44 0.69 6.18 0.00 -1.26 -4.84 105.19 109.92 1ivx n GLY 380 Ca 0.14 0.16 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 1ivx n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivx n ASN 381 N 11.25 1.73 -3.64 1.61 6.94 -1.26 -4.98 115.26 126.90 1ivx n ASN 381 Ca 0.00 -2.01 -0.04 0.00 -0.02 0.00 0.00 54.58 52.51 1ivx n ASN 381 Cb 0.00 -0.50 -0.07 0.00 -2.36 0.00 0.00 39.78 36.85 1ivx n ASN 381 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1ivx s ASP 383 N 0.35 -0.31 -0.03 0.53 1.11 -0.92 -1.09 116.67 116.31 1ivx s ASP 383 Ca 0.00 0.55 0.03 0.00 0.18 0.00 0.00 52.55 53.31 1ivx s ASP 383 Cb 0.00 0.81 0.00 0.00 1.07 0.00 0.00 42.92 44.80 1ivx s ASP 383 CO 0.00 -0.09 -0.11 -0.31 1.18 0.00 0.00 175.17 175.84 1ivx s TYR 384 N 0.62 1.11 -0.18 4.23 2.02 -0.27 -0.14 117.35 124.73 1ivx s TYR 384 Ca -0.01 -0.30 -0.06 0.00 -0.37 0.00 0.00 57.07 56.33 1ivx s TYR 384 Cb -0.04 -0.79 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1ivx s TYR 384 CO -0.12 -0.12 0.02 0.20 -1.57 0.00 0.00 175.55 173.97 1ivx s GLY 385 N 0.21 1.81 -0.25 0.71 0.00 0.89 -1.04 107.32 109.64 1ivx s GLY 385 Ca -0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 1ivx s GLY 385 CO 0.01 0.10 0.02 -1.36 0.00 0.00 0.00 173.10 171.87 1ivx s PHE 386 N 0.60 3.06 -0.09 1.90 0.40 -0.61 -0.55 117.98 122.69 1ivx s PHE 386 Ca 0.01 -0.89 0.04 0.00 -0.60 0.00 0.00 56.93 55.49 1ivx s PHE 386 Cb -0.14 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.21 1ivx s PHE 386 CO 0.02 -0.53 -0.22 0.71 0.70 0.00 0.00 175.22 175.90 1ivx s TYR 387 N 1.50 2.33 -0.11 0.36 1.51 0.05 -2.31 117.35 120.68 1ivx s TYR 387 Ca 0.04 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.19 1ivx s TYR 387 Cb -0.16 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 1ivx s TYR 387 CO 0.00 -0.37 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.37 1ivx s TRP 388 N 0.35 2.83 0.01 2.71 0.52 -0.10 -0.64 118.94 124.62 1ivx s TRP 388 Ca -0.17 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 55.60 1ivx s TRP 388 Cb -0.17 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1ivx s TRP 388 CO 0.07 -0.05 -0.20 0.71 0.02 0.00 0.00 176.95 177.50 1ivx s TYR 389 N 0.00 1.80 -0.12 -1.98 2.02 0.47 -1.07 117.35 118.47 1ivx s TYR 389 Ca -0.03 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1ivx s TYR 389 Cb -0.14 -1.12 0.01 0.00 -0.40 0.00 0.00 41.96 40.32 1ivx s TYR 389 CO 0.04 0.03 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.35 1ivx s LEU 390 N -0.82 1.93 0.22 -1.29 1.43 -0.48 -1.43 118.68 118.23 1ivx s LEU 390 Ca 0.08 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1ivx s LEU 390 Cb -0.08 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1ivx s LEU 390 CO 0.00 0.06 0.24 -0.31 0.23 0.00 0.00 176.35 176.58 1ivx s TYR 391 N 0.83 3.26 0.32 0.29 2.02 -0.11 -0.58 117.35 123.38 1ivx s TYR 391 Ca -0.08 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1ivx s TYR 391 Cb -0.16 -1.50 0.67 0.00 -0.40 0.00 0.00 41.96 40.58 1ivx s TYR 391 CO -0.00 0.50 1.86 -0.07 -1.57 0.00 0.00 175.55 176.27 1ivx h LEU 392 N 1.66 0.80 -0.32 -1.29 3.38 -1.86 -1.90 115.31 115.78 1ivx h LEU 392 Ca -0.49 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1ivx h LEU 392 Cb 1.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1ivx h LEU 392 CO 0.62 0.43 0.00 -0.90 0.09 0.00 0.00 178.44 178.68 1ivx n ASP 393 N -4.58 0.45 0.00 -0.43 5.75 -1.26 -4.75 116.55 111.73 1ivx n ASP 393 Ca 0.17 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1ivx n ASP 393 Cb 0.38 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1ivx n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ivx n GLY 394 N 0.58 0.69 3.75 6.12 0.00 -0.71 -4.80 105.19 110.82 1ivx n GLY 394 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1ivx n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ivx s THR 395 N -2.51 4.13 -0.09 2.61 2.01 -1.25 -4.39 115.64 116.16 1ivx s THR 395 Ca 0.00 2.08 0.03 0.00 0.31 0.00 0.00 61.69 64.11 1ivx s THR 395 Cb 0.00 -4.32 -0.01 0.00 0.01 0.00 0.00 72.50 68.17 1ivx s THR 395 CO 0.00 0.48 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 1ivx s ILE 396 N -1.03 2.61 0.03 1.82 1.01 -0.62 -0.93 121.20 124.08 1ivx s ILE 396 Ca 0.42 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ivx s ILE 396 Cb -0.26 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1ivx s ILE 396 CO 0.32 0.56 -0.04 -0.70 0.00 0.00 0.00 174.94 175.08 1ivx s GLU 397 N -0.02 0.38 0.03 2.79 2.12 -0.52 -0.34 118.70 123.14 1ivx s GLU 397 Ca -0.06 -0.71 0.06 0.00 0.36 0.00 0.00 54.97 54.63 1ivx s GLU 397 Cb -0.15 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 1ivx s GLU 397 CO 0.05 -0.04 -0.19 0.12 -0.54 0.00 0.00 175.26 174.65 1ivx s PHE 398 N -1.76 1.69 -0.03 5.30 5.36 -0.86 -0.40 117.98 127.28 1ivx s PHE 398 Ca -0.12 -0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 55.48 1ivx s PHE 398 Cb -0.08 -1.03 0.03 0.00 -0.34 0.00 0.00 43.02 41.60 1ivx s PHE 398 CO -0.02 0.05 0.06 -2.00 -1.46 0.00 0.00 175.22 171.85 1ivx s GLU 399 N -0.95 -0.02 -0.23 10.12 2.12 0.18 -2.40 118.70 127.53 1ivx s GLU 399 Ca 0.07 0.27 -0.07 0.00 0.36 0.00 0.00 54.97 55.59 1ivx s GLU 399 Cb -0.08 -0.28 -0.03 0.00 0.26 0.00 0.00 34.13 34.00 1ivx s GLU 399 CO 0.01 -0.20 0.06 0.00 -0.54 0.00 0.00 175.26 174.59 1ivx s ALA 400 N 1.30 3.20 -0.27 6.30 0.00 0.95 -0.77 121.76 132.47 1ivx s ALA 400 Ca -0.07 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 1ivx s ALA 400 Cb -0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1ivx s ALA 400 CO -0.04 -0.29 0.09 0.15 0.00 0.00 0.00 175.76 175.68 1ivx s LYS 401 N 1.25 3.52 -0.22 0.00 1.02 0.28 -1.70 119.74 123.89 1ivx s LYS 401 Ca 0.05 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 1ivx s LYS 401 Cb -0.15 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1ivx s LYS 401 CO 0.03 -0.27 0.07 0.00 -0.92 0.00 0.00 175.35 174.26 1ivx s ALA 402 N 1.60 3.27 0.00 5.17 0.00 -0.06 -0.08 121.76 131.67 1ivx s ALA 402 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1ivx s ALA 402 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1ivx s ALA 402 CO 0.04 -0.17 0.00 2.41 0.00 0.00 0.00 175.76 178.04 1ivx n THR 403 N 4.28 0.00 -0.30 0.00 -1.04 0.81 -2.01 114.28 116.01 1ivx n THR 403 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1ivx n THR 403 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1ivx n THR 403 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ivx n GLY 404 N 1.67 -0.20 3.19 3.41 0.00 -1.26 -2.16 105.19 109.84 1ivx n GLY 404 Ca 0.00 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 1ivx n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ivx s VAL 405 N 0.00 1.70 0.54 1.61 1.01 -0.25 -1.79 120.40 123.23 1ivx s VAL 405 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1ivx s VAL 405 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1ivx s VAL 405 CO 0.00 0.48 1.18 0.68 0.00 0.00 0.00 175.10 177.44 1ivx s VAL 406 N -0.03 2.91 -0.02 2.92 -7.23 -1.26 -4.73 120.40 112.95 1ivx s VAL 406 Ca -0.04 0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 60.43 1ivx s VAL 406 Cb -0.13 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 1ivx s VAL 406 CO 0.03 -0.09 1.08 0.12 -0.31 0.00 0.00 175.10 175.93 1ivx s PHE 407 N -1.63 3.48 0.34 2.82 5.36 -1.26 -5.00 117.98 122.09 1ivx s PHE 407 Ca 0.72 1.49 0.07 0.00 -0.96 0.00 0.00 56.93 58.25 1ivx s PHE 407 Cb -0.28 -3.26 -0.02 0.00 -0.34 0.00 0.00 43.02 39.12 1ivx s PHE 407 CO 0.32 -0.59 0.39 0.95 -1.46 0.00 0.00 175.22 174.83 1ivx s THR 408 N 1.51 3.80 0.06 0.12 -4.23 -1.26 -4.15 115.64 111.49 1ivx s THR 408 Ca 0.53 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1ivx s THR 408 Cb -0.23 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1ivx s THR 408 CO 0.25 -0.16 0.08 -1.54 -0.54 0.00 0.00 174.62 172.70 1ivx n SER 409 N -1.52 -0.22 -4.86 3.99 3.41 -0.86 -4.86 113.62 108.71 1ivx n SER 409 Ca -0.01 -1.31 -0.36 0.00 -0.26 0.00 0.00 58.87 56.93 1ivx n SER 409 Cb 0.59 0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 64.89 1ivx n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ivx s ALA 410 N -1.78 3.76 -0.30 7.33 0.00 -1.26 -0.87 121.76 128.64 1ivx s ALA 410 Ca 0.05 -0.40 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1ivx s ALA 410 Cb -0.00 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1ivx s ALA 410 CO 0.03 0.56 0.85 0.12 0.00 0.00 0.00 175.76 177.33 1ivx s PHE 411 N -1.19 3.21 0.58 0.00 5.36 0.33 -4.32 117.98 121.96 1ivx s PHE 411 Ca 0.25 0.95 -0.20 0.00 -0.96 0.00 0.00 56.93 56.97 1ivx s PHE 411 Cb -0.15 -3.28 -0.03 0.00 -0.34 0.00 0.00 43.02 39.22 1ivx s PHE 411 CO 0.13 -0.58 1.31 -1.25 -1.46 0.00 0.00 175.22 173.37 1ivx s PRO 412 N 3.08 2.94 0.07 10.12 0.04 -1.26 -4.78 135.00 145.19 1ivx s PRO 412 Ca 0.35 2.10 -0.31 0.00 0.04 0.00 0.00 61.00 63.19 1ivx s PRO 412 Cb -0.14 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1ivx s PRO 412 CO 0.12 -1.31 1.29 -2.00 0.04 0.00 0.00 177.00 175.15 1ivx s GLU 413 N -3.12 4.37 0.00 4.56 2.12 -1.26 -1.57 118.70 123.80 1ivx s GLU 413 Ca 0.76 1.90 0.00 0.00 0.36 0.00 0.00 54.97 57.99 1ivx s GLU 413 Cb -0.38 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.66 1ivx s GLU 413 CO 0.42 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 1ivx n GLY 414 N 3.38 0.21 2.65 -1.50 0.00 -1.26 -4.98 105.19 103.68 1ivx n GLY 414 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1ivx n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivx n GLY 415 N -1.83 -2.41 3.45 -0.02 0.00 -0.61 -5.04 105.19 98.73 1ivx n GLY 415 Ca 0.00 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1ivx n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ivx s SER 416 N -2.84 -0.55 0.00 1.61 0.15 -1.26 -4.66 113.70 106.15 1ivx s SER 416 Ca 0.00 0.64 0.25 0.00 0.70 0.00 0.00 55.95 57.54 1ivx s SER 416 Cb 0.00 0.57 0.57 0.00 -1.71 0.00 0.00 66.02 65.45 1ivx s SER 416 CO 0.00 -0.52 1.45 0.47 1.20 0.00 0.00 173.24 175.83 1ivx n ASP 417 N 1.22 1.23 -0.00 5.45 8.00 -1.26 -4.19 116.55 127.00 1ivx n ASP 417 Ca -0.19 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1ivx n ASP 417 Cb 0.57 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1ivx n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ivx n ASN 418 N -0.55 0.76 -3.83 -2.24 4.13 -1.26 -5.06 115.26 107.22 1ivx n ASN 418 Ca 0.11 -1.39 -0.12 0.00 1.68 0.00 0.00 54.58 54.86 1ivx n ASN 418 Cb 0.37 -0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.51 1ivx n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ivx s ILE 419 N -0.39 0.07 0.23 2.41 1.01 -1.26 -1.47 121.20 121.80 1ivx s ILE 419 Ca 0.00 -0.54 0.12 0.00 0.00 0.00 0.00 60.65 60.22 1ivx s ILE 419 Cb 0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1ivx s ILE 419 CO 0.00 -0.30 -0.21 -0.94 0.00 0.00 0.00 174.94 173.49 1ivx s SER 420 N -1.19 3.54 -0.17 3.58 1.04 -0.41 -4.50 113.70 115.60 1ivx s SER 420 Ca -0.13 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.20 1ivx s SER 420 Cb -0.06 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 1ivx s SER 420 CO 0.02 0.08 0.44 -1.58 0.98 0.00 0.00 173.24 173.19 1ivx s GLN 421 N -3.07 4.25 -0.10 4.02 0.74 -1.26 -0.31 119.66 123.93 1ivx s GLN 421 Ca 0.25 0.33 0.15 0.00 0.05 0.00 0.00 55.36 56.14 1ivx s GLN 421 Cb -0.07 -3.49 -0.22 0.00 1.10 0.00 0.00 33.01 30.33 1ivx s GLN 421 CO 0.12 0.04 0.18 1.28 -0.55 0.00 0.00 175.29 176.37 1ivx n LEU 422 N 4.14 0.00 -3.91 3.68 4.77 -0.24 -4.55 117.00 120.89 1ivx n LEU 422 Ca -0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1ivx n LEU 422 Cb 0.51 0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.81 1ivx n LEU 422 CO 0.42 0.22 0.38 0.00 -1.33 0.00 0.00 177.39 177.07 1ivx s ALA 423 N -2.70 -0.44 0.07 -1.18 0.00 -1.21 -4.84 121.76 111.46 1ivx s ALA 423 Ca -0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1ivx s ALA 423 Cb 0.07 0.88 -0.09 0.00 0.00 0.00 0.00 23.12 23.98 1ivx s ALA 423 CO 0.65 -0.94 1.84 -2.14 0.00 0.00 0.00 175.76 175.18 1ivx s PRO 424 N -3.07 4.15 0.00 0.00 0.02 -1.26 -1.92 135.00 132.91 1ivx s PRO 424 Ca 0.19 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1ivx s PRO 424 Cb -0.04 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.64 1ivx s PRO 424 CO 0.12 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 1ivx n GLY 425 N 4.31 1.29 3.59 0.52 0.00 -1.26 -4.65 105.19 108.99 1ivx n GLY 425 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1ivx n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ivx s LEU 426 N 0.00 4.16 0.43 0.99 2.96 -0.81 -0.51 118.68 125.90 1ivx s LEU 426 Ca 0.00 0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 1ivx s LEU 426 Cb 0.00 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 1ivx s LEU 426 CO 0.00 -0.25 0.48 -0.83 -1.32 0.00 0.00 176.35 174.42 1ivx s GLY 427 N 1.67 2.05 -0.28 7.98 0.00 -0.05 -1.08 107.32 117.62 1ivx s GLY 427 Ca 0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.06 1ivx s GLY 427 CO 0.11 -1.62 0.28 0.00 0.00 0.00 0.00 173.10 171.87 1ivx s ALA 428 N -2.44 -0.40 0.45 3.20 0.00 0.58 -2.03 121.76 121.12 1ivx s ALA 428 Ca 0.51 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.99 1ivx s ALA 428 Cb -0.06 -1.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 1ivx s ALA 428 CO 0.30 -1.62 1.39 -2.30 0.00 0.00 0.00 175.76 173.52 1ivx n PRO 429 N 5.31 2.13 -2.32 0.00 -0.02 -1.26 -1.29 135.00 137.55 1ivx n PRO 429 Ca -0.03 0.76 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 1ivx n PRO 429 Cb 0.47 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1ivx n PRO 429 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ivx s PHE 430 N -1.20 3.17 0.30 6.00 0.08 -0.54 -4.76 117.98 121.03 1ivx s PHE 430 Ca 0.62 1.57 -0.19 0.00 0.12 0.00 0.00 56.93 59.04 1ivx s PHE 430 Cb -0.46 -3.39 0.03 0.00 -0.57 0.00 0.00 43.02 38.62 1ivx s PHE 430 CO 0.57 -1.20 0.72 -3.38 -0.10 0.00 0.00 175.22 171.84 1ivx s HIS 431 N -1.35 -0.09 0.17 0.36 -3.43 -0.90 0.42 115.29 110.47 1ivx s HIS 431 Ca 0.54 -0.41 0.07 0.00 -0.80 0.00 0.00 55.06 54.46 1ivx s HIS 431 Cb -0.31 0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 1ivx s HIS 431 CO 0.40 -1.30 -0.15 -0.65 -2.00 0.00 0.00 174.74 171.03 1ivx s GLN 432 N -3.57 1.22 -0.33 -0.38 -0.21 -0.40 -0.37 119.66 115.63 1ivx s GLN 432 Ca 0.13 -1.43 0.02 0.00 0.02 0.00 0.00 55.36 54.10 1ivx s GLN 432 Cb -0.06 -1.11 0.10 0.00 1.00 0.00 0.00 33.01 32.94 1ivx s GLN 432 CO 0.08 0.21 0.06 -1.01 -2.12 0.00 0.00 175.29 172.51 1ivx s HIS 433 N -2.46 3.04 -0.18 0.91 3.76 -0.18 -3.08 115.29 117.09 1ivx s HIS 433 Ca 0.16 -2.55 -0.03 0.00 -0.15 0.00 0.00 55.06 52.49 1ivx s HIS 433 Cb -0.03 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.15 1ivx s HIS 433 CO 0.05 -0.92 -0.07 0.42 -0.85 0.00 0.00 174.74 173.37 1ivx s ILE 434 N 1.15 3.37 0.28 0.60 1.01 0.08 -0.51 121.20 127.17 1ivx s ILE 434 Ca 0.10 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.30 1ivx s ILE 434 Cb -0.18 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1ivx s ILE 434 CO -0.14 0.46 0.31 -0.36 0.00 0.00 0.00 174.94 175.22 1ivx s PHE 435 N 0.96 3.17 -0.19 3.97 0.40 0.53 -0.77 117.98 126.05 1ivx s PHE 435 Ca -0.01 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1ivx s PHE 435 Cb -0.15 -1.63 0.05 0.00 0.51 0.00 0.00 43.02 41.80 1ivx s PHE 435 CO 0.00 0.34 -0.00 0.45 0.70 0.00 0.00 175.22 176.71 1ivx s SER 436 N -3.97 2.96 -0.22 1.36 0.15 -0.78 -1.87 113.70 111.33 1ivx s SER 436 Ca 0.37 -0.80 -0.15 0.00 0.70 0.00 0.00 55.95 56.07 1ivx s SER 436 Cb -0.08 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1ivx s SER 436 CO 0.28 -0.26 0.38 0.00 1.20 0.00 0.00 173.24 174.84 1ivx s ALA 437 N 1.74 3.56 -0.30 5.45 0.00 -0.41 -0.00 121.76 131.80 1ivx s ALA 437 Ca -0.01 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1ivx s ALA 437 Cb -0.17 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1ivx s ALA 437 CO -0.07 -0.38 0.22 0.50 0.00 0.00 0.00 175.76 176.04 1ivx s ARG 438 N 1.47 3.83 -0.37 0.00 3.52 0.12 -1.45 118.95 126.07 1ivx s ARG 438 Ca 0.18 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.42 1ivx s ARG 438 Cb -0.15 -3.70 0.10 0.00 -1.56 0.00 0.00 34.95 29.64 1ivx s ARG 438 CO 0.08 -0.27 0.11 -0.51 -0.81 0.00 0.00 175.30 173.91 1ivx s LEU 439 N 1.79 4.96 -0.78 -0.88 1.43 0.21 -2.00 118.68 123.41 1ivx s LEU 439 Ca 0.08 -2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 50.84 1ivx s LEU 439 Cb -0.16 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.39 1ivx s LEU 439 CO 0.11 -0.45 1.22 -0.62 0.23 0.00 0.00 176.35 176.84 1ivx s ASP 440 N 1.30 6.26 0.39 2.29 2.15 0.05 0.30 116.67 129.42 1ivx s ASP 440 Ca 0.09 -0.88 -0.26 0.00 0.43 0.00 0.00 52.55 51.93 1ivx s ASP 440 Cb -0.21 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 39.81 1ivx s ASP 440 CO -0.06 -1.62 1.21 -0.04 -0.17 0.00 0.00 175.17 174.48 1ivx s MET 441 N 4.96 4.08 -0.38 4.34 -1.94 -0.89 0.48 119.30 129.96 1ivx s MET 441 Ca 0.34 1.95 0.12 0.00 -1.71 0.00 0.00 55.69 56.38 1ivx s MET 441 Cb -0.09 -2.75 0.39 0.00 2.01 0.00 0.00 34.83 34.39 1ivx s MET 441 CO 0.08 -0.33 1.08 0.00 -0.01 0.00 0.00 175.02 175.84 1ivx n ALA 442 N 0.20 1.73 -1.81 3.03 0.00 -0.37 -4.52 120.51 118.78 1ivx n ALA 442 Ca 0.04 -2.28 -0.38 0.00 0.00 0.00 0.00 53.44 50.81 1ivx n ALA 442 Cb 0.45 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1ivx n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ivx s ILE 443 N -1.32 3.21 -1.41 0.00 -1.09 -0.91 -2.36 121.20 117.32 1ivx s ILE 443 Ca 0.27 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.75 1ivx s ILE 443 Cb 0.39 -3.47 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1ivx s ILE 443 CO -0.04 -0.42 0.99 0.47 -1.23 0.00 0.00 174.94 174.71 1ivx n ASP 444 N 13.60 -4.32 0.00 3.58 8.00 0.12 -4.47 116.55 133.06 1ivx n ASP 444 Ca 0.28 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1ivx n ASP 444 Cb 0.52 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 1ivx n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ivx n GLY 445 N -1.71 0.59 0.11 0.44 0.00 -0.99 -4.79 105.19 98.83 1ivx n GLY 445 Ca -0.06 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.90 1ivx n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ivx n PHE 446 N -0.29 0.94 -2.36 1.61 3.72 -1.26 -4.31 117.46 115.51 1ivx n PHE 446 Ca 0.00 0.27 -0.36 0.00 -0.05 0.00 0.00 57.45 57.31 1ivx n PHE 446 Cb 0.00 -0.94 -0.04 0.00 -0.94 0.00 0.00 39.48 37.56 1ivx n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ivx s THR 447 N -3.10 3.71 0.40 4.37 2.01 -1.26 -2.87 115.64 118.90 1ivx s THR 447 Ca 0.11 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1ivx s THR 447 Cb 0.12 -4.63 -0.08 0.00 0.01 0.00 0.00 72.50 67.93 1ivx s THR 447 CO 0.60 -1.54 0.01 0.20 -0.69 0.00 0.00 174.62 173.19 1ivx s ASN 448 N 6.04 3.71 0.07 3.53 0.01 0.09 -4.11 114.94 124.28 1ivx s ASN 448 Ca 0.54 -1.36 -0.16 0.00 -0.71 0.00 0.00 52.86 51.17 1ivx s ASN 448 Cb -0.04 -0.36 0.03 0.00 0.41 0.00 0.00 41.25 41.29 1ivx s ASN 448 CO -0.02 -0.45 0.38 -0.60 -1.51 0.00 0.00 177.10 174.90 1ivx s ARG 449 N -3.72 0.95 -0.03 -0.60 3.52 -0.51 -0.07 118.95 118.48 1ivx s ARG 449 Ca 0.35 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 1ivx s ARG 449 Cb 0.09 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.90 1ivx s ARG 449 CO 0.18 -0.34 -0.12 0.08 -0.81 0.00 0.00 175.30 174.29 1ivx s VAL 450 N -3.01 1.00 0.05 7.11 1.01 -1.26 -1.16 120.40 124.14 1ivx s VAL 450 Ca -0.02 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1ivx s VAL 450 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1ivx s VAL 450 CO -0.06 0.30 -0.23 -1.61 0.00 0.00 0.00 175.10 173.50 1ivx s GLU 451 N 0.16 1.49 -0.33 2.72 2.02 -0.03 -0.88 118.70 123.85 1ivx s GLU 451 Ca -0.04 -1.04 -0.14 0.00 0.02 0.00 0.00 54.97 53.78 1ivx s GLU 451 Cb -0.10 -1.66 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 1ivx s GLU 451 CO 0.01 0.42 0.28 -2.00 0.02 0.00 0.00 175.26 173.99 1ivx s GLU 452 N -1.31 3.60 -0.38 1.61 2.12 0.12 -0.65 118.70 123.80 1ivx s GLU 452 Ca 0.09 -0.50 -0.14 0.00 0.36 0.00 0.00 54.97 54.79 1ivx s GLU 452 Cb -0.09 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1ivx s GLU 452 CO 0.02 -0.43 0.27 -2.00 -0.54 0.00 0.00 175.26 172.58 1ivx s GLU 453 N 1.85 3.16 0.03 4.30 2.12 -0.30 -1.60 118.70 128.26 1ivx s GLU 453 Ca 0.09 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.56 1ivx s GLU 453 Cb -0.17 -3.90 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 1ivx s GLU 453 CO 0.11 -0.63 0.03 -0.51 -0.54 0.00 0.00 175.26 173.72 1ivx s ASP 454 N 1.69 5.28 0.38 -1.70 1.11 -0.39 -1.87 116.67 121.16 1ivx s ASP 454 Ca 0.05 -0.01 -0.25 0.00 0.18 0.00 0.00 52.55 52.52 1ivx s ASP 454 Cb -0.18 -1.39 -0.09 0.00 1.07 0.00 0.00 42.92 42.33 1ivx s ASP 454 CO 0.10 0.24 1.10 -0.69 1.18 0.00 0.00 175.17 177.10 1ivx s VAL 455 N -1.20 3.47 -0.14 -1.27 1.01 0.96 -0.73 120.40 122.49 1ivx s VAL 455 Ca 0.23 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.46 1ivx s VAL 455 Cb -0.12 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1ivx s VAL 455 CO 0.15 0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 1ivx s VAL 456 N -1.47 1.98 0.15 2.92 1.01 0.09 -4.82 120.40 120.27 1ivx s VAL 456 Ca 0.55 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1ivx s VAL 456 Cb -0.27 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1ivx s VAL 456 CO 0.34 0.53 0.56 -0.13 0.00 0.00 0.00 175.10 176.40 1ivx s ARG 457 N 0.92 3.98 0.08 2.72 0.52 -1.26 -0.64 118.95 125.27 1ivx s ARG 457 Ca -0.05 0.50 0.09 0.00 -0.52 0.00 0.00 55.73 55.74 1ivx s ARG 457 Cb -0.15 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1ivx s ARG 457 CO -0.04 0.47 -0.21 -0.65 0.02 0.00 0.00 175.30 174.89 1ivx s GLN 458 N -2.00 1.83 0.17 3.54 -0.21 -1.25 -4.92 119.66 116.82 1ivx s GLN 458 Ca 0.39 -1.12 -0.20 0.00 0.02 0.00 0.00 55.36 54.45 1ivx s GLN 458 Cb -0.15 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.70 1ivx s GLN 458 CO 0.19 0.50 0.67 -0.08 -2.12 0.00 0.00 175.29 174.46 1ivx s THR 459 N -0.99 4.62 0.24 -0.19 -1.32 -1.26 -4.88 115.64 111.86 1ivx s THR 459 Ca 0.15 1.26 -0.30 0.00 -1.21 0.00 0.00 61.69 61.59 1ivx s THR 459 Cb -0.10 -3.89 -0.09 0.00 -1.51 0.00 0.00 72.50 66.90 1ivx s THR 459 CO 0.06 0.34 1.35 -0.32 -2.21 0.00 0.00 174.62 173.84 1ivx s MET 460 N -1.65 4.35 0.00 7.08 1.75 -1.26 -4.80 119.30 124.77 1ivx s MET 460 Ca 0.38 2.16 0.00 0.00 -1.25 0.00 0.00 55.69 56.98 1ivx s MET 460 Cb -0.18 -3.14 0.00 0.00 2.84 0.00 0.00 34.83 34.35 1ivx s MET 460 CO 0.21 -0.28 0.00 0.41 -0.65 0.00 0.00 175.02 174.71 1ivx n GLY 461 N 2.00 -0.44 3.68 2.11 0.00 -0.90 -4.96 105.19 106.68 1ivx n GLY 461 Ca 0.05 -0.99 -0.50 0.00 0.00 0.00 0.00 46.02 44.58 1ivx n GLY 461 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ivx n PRO 462 N 0.00 1.99 -0.19 1.61 -0.02 -1.26 -0.00 135.00 137.12 1ivx n PRO 462 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1ivx n PRO 462 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 1ivx n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ivx n GLY 463 N 4.23 1.36 2.70 -1.23 0.00 -1.26 -4.79 105.19 106.20 1ivx n GLY 463 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 1ivx n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ivx n ASN 464 N 0.00 -0.81 -0.14 1.61 5.15 0.50 -4.99 115.26 116.58 1ivx n ASN 464 Ca 0.00 -2.37 0.23 0.00 -0.60 0.00 0.00 54.58 51.84 1ivx n ASN 464 Cb 0.00 0.48 0.64 0.00 -0.53 0.00 0.00 39.78 40.38 1ivx n ASN 464 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1ivx h GLU 465 N 1.91 0.13 -0.01 1.20 9.09 -0.74 0.31 114.58 126.48 1ivx h GLU 465 Ca -0.29 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.11 1ivx h GLU 465 Cb 1.28 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1ivx h GLU 465 CO 0.01 0.09 -0.08 0.54 0.05 0.00 0.00 179.01 179.62 1ivx n ARG 466 N -4.38 1.28 -3.83 1.06 1.74 -1.26 -4.58 116.66 106.69 1ivx n ARG 466 Ca 0.16 -0.68 -0.26 0.00 -0.77 0.00 0.00 57.85 56.30 1ivx n ARG 466 Cb 0.75 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.73 1ivx n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ivx n GLY 467 N 1.22 -0.37 0.00 -0.13 0.00 0.10 -4.88 105.19 101.13 1ivx n GLY 467 Ca 0.17 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.37 1ivx n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ivx n ASN 468 N -2.95 1.80 -4.77 1.61 0.23 -1.26 -4.88 115.26 105.05 1ivx n ASN 468 Ca -0.16 -0.35 -0.36 0.00 -0.53 0.00 0.00 54.58 53.18 1ivx n ASN 468 Cb 0.61 1.12 -0.01 0.00 -2.08 0.00 0.00 39.78 39.43 1ivx n ASN 468 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ivx s ALA 469 N -1.94 2.88 -0.22 -2.53 0.00 -1.26 -5.06 121.76 113.64 1ivx s ALA 469 Ca 0.00 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 1ivx s ALA 469 Cb 0.04 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1ivx s ALA 469 CO 0.24 -0.67 0.59 -0.59 0.00 0.00 0.00 175.76 175.32 1ivx s PHE 470 N -1.64 -0.64 0.00 0.00 -0.12 -1.26 -3.78 117.98 110.54 1ivx s PHE 470 Ca 0.67 1.56 0.00 0.00 -0.05 0.00 0.00 56.93 59.11 1ivx s PHE 470 Cb -0.26 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 1ivx s PHE 470 CO 0.31 -0.31 0.00 0.45 -0.05 0.00 0.00 175.22 175.62 1ivx n SER 471 N 2.74 0.87 -3.73 1.98 2.88 0.19 -4.98 113.62 113.57 1ivx n SER 471 Ca -0.14 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.29 1ivx n SER 471 Cb 0.56 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 1ivx n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ivx s ARG 472 N 1.42 0.88 0.03 -1.46 1.70 -1.26 -0.73 118.95 119.53 1ivx s ARG 472 Ca 0.00 -0.58 0.02 0.00 -0.47 0.00 0.00 55.73 54.70 1ivx s ARG 472 Cb 0.00 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1ivx s ARG 472 CO 0.00 -0.30 -0.07 -1.59 -1.08 0.00 0.00 175.30 172.26 1ivx s LYS 473 N -2.96 0.47 -0.07 3.89 -2.85 0.09 -4.79 119.74 113.52 1ivx s LYS 473 Ca -0.02 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 1ivx s LYS 473 Cb 0.00 -0.28 0.01 0.00 -2.06 0.00 0.00 37.83 35.50 1ivx s LYS 473 CO -0.06 0.06 -0.14 1.03 0.10 0.00 0.00 175.35 176.33 1ivx s ARG 474 N -1.16 1.90 -0.16 1.78 0.52 -1.26 -1.26 118.95 119.30 1ivx s ARG 474 Ca -0.07 -0.50 -0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1ivx s ARG 474 Cb -0.08 -1.54 -0.00 0.00 0.52 0.00 0.00 34.95 33.84 1ivx s ARG 474 CO 0.00 0.07 -0.14 0.99 0.02 0.00 0.00 175.30 176.24 1ivx s THR 475 N 0.54 2.75 0.10 0.02 2.01 -0.62 -4.90 115.64 115.54 1ivx s THR 475 Ca -0.14 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1ivx s THR 475 Cb -0.16 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 1ivx s THR 475 CO 0.04 0.51 0.80 0.54 -0.69 0.00 0.00 174.62 175.83 1ivx s VAL 476 N 0.84 4.56 -0.44 3.82 0.11 -1.26 0.15 120.40 128.18 1ivx s VAL 476 Ca -0.05 1.73 -0.20 0.00 -2.93 0.00 0.00 61.98 60.54 1ivx s VAL 476 Cb -0.15 -4.16 0.02 0.00 -1.53 0.00 0.00 36.38 30.56 1ivx s VAL 476 CO -0.00 0.41 0.58 -0.76 -3.33 0.00 0.00 175.10 172.00 1ivx s LEU 477 N -0.42 4.63 -0.08 2.54 1.43 -0.06 -4.93 118.68 121.78 1ivx s LEU 477 Ca 0.39 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1ivx s LEU 477 Cb -0.22 -2.62 -0.29 0.00 0.03 0.00 0.00 46.19 43.10 1ivx s LEU 477 CO 0.25 -0.73 0.55 0.71 0.23 0.00 0.00 176.35 177.37 1ivx h THR 478 N 5.83 0.87 -3.16 5.49 1.35 -1.90 -3.36 112.91 118.03 1ivx h THR 478 Ca -0.26 -2.43 -0.54 0.00 -0.55 0.00 0.00 66.41 62.63 1ivx h THR 478 Cb 1.10 2.67 -0.17 0.00 -1.73 0.00 0.00 68.15 70.02 1ivx h THR 478 CO 0.87 0.82 -0.78 -0.13 -0.25 0.00 0.00 175.52 176.05 1ivx s ARG 479 N -2.54 1.34 0.56 4.72 1.81 -1.26 -0.98 118.95 122.59 1ivx s ARG 479 Ca -0.19 -1.47 0.24 0.00 -1.72 0.00 0.00 55.73 52.60 1ivx s ARG 479 Cb 0.05 -1.40 1.56 0.00 -0.45 0.00 0.00 34.95 34.71 1ivx s ARG 479 CO 0.81 0.28 2.16 0.93 -0.68 0.00 0.00 175.30 178.79 1ivx h GLU 480 N 3.10 0.00 0.00 3.54 5.08 -1.67 -0.27 114.58 124.37 1ivx h GLU 480 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1ivx h GLU 480 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ivx h GLU 480 CO 0.52 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.40 1ivx n SER 481 N -4.12 0.00 0.00 1.42 3.41 -1.26 -1.50 113.62 111.57 1ivx n SER 481 Ca -0.01 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1ivx n SER 481 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1ivx n SER 481 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ivx n GLU 482 N -0.78 -0.02 -0.99 4.33 1.02 -0.12 -4.82 120.64 119.26 1ivx n GLU 482 Ca 0.09 -0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 56.77 1ivx n GLU 482 Cb 0.04 -0.81 0.20 0.00 -0.02 0.00 0.00 31.44 30.86 1ivx n GLU 482 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ivx n ALA 483 N -0.09 4.82 -3.84 0.62 0.00 -0.56 -4.76 120.51 116.70 1ivx n ALA 483 Ca 0.00 -2.29 -0.35 0.00 0.00 0.00 0.00 53.44 50.80 1ivx n ALA 483 Cb 0.06 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.06 1ivx n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ivx s VAL 484 N -2.76 3.03 0.11 0.00 1.01 -1.26 -1.77 120.40 118.76 1ivx s VAL 484 Ca 0.49 -2.19 0.06 0.00 0.00 0.00 0.00 61.98 60.34 1ivx s VAL 484 Cb 0.40 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1ivx s VAL 484 CO 0.11 -0.68 -0.02 -0.13 0.00 0.00 0.00 175.10 174.38 1ivx s ARG 485 N 1.01 2.45 0.26 2.72 1.81 0.16 -5.00 118.95 122.36 1ivx s ARG 485 Ca 0.09 -0.92 0.09 0.00 -1.72 0.00 0.00 55.73 53.27 1ivx s ARG 485 Cb -0.22 -2.47 -0.04 0.00 -0.45 0.00 0.00 34.95 31.77 1ivx s ARG 485 CO -0.05 0.52 0.08 -1.83 -0.68 0.00 0.00 175.30 173.34 1ivx s GLU 486 N -2.40 2.55 0.75 3.54 -1.05 -1.26 -1.36 118.70 119.46 1ivx s GLU 486 Ca 0.25 -1.27 -0.11 0.00 -0.15 0.00 0.00 54.97 53.69 1ivx s GLU 486 Cb -0.11 -2.32 0.04 0.00 -0.44 0.00 0.00 34.13 31.29 1ivx s GLU 486 CO 0.18 0.38 1.08 0.00 0.95 0.00 0.00 175.26 177.85 1ivx s ALA 487 N -2.25 2.47 -0.50 -0.84 0.00 -1.26 -4.91 121.76 114.47 1ivx s ALA 487 Ca 0.32 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1ivx s ALA 487 Cb -0.07 -3.12 0.21 0.00 0.00 0.00 0.00 23.12 20.14 1ivx s ALA 487 CO 0.22 -1.48 0.79 -3.47 0.00 0.00 0.00 175.76 171.82 1ivx n ASP 488 N -3.28 -3.14 0.02 0.00 -0.08 -1.26 -5.02 116.55 103.80 1ivx n ASP 488 Ca 0.07 -3.07 0.16 0.00 -1.51 0.00 0.00 54.79 50.44 1ivx n ASP 488 Cb 0.55 1.73 0.63 0.00 2.34 0.00 0.00 41.12 46.37 1ivx n ASP 488 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ivx h ALA 489 N 4.58 2.29 -0.91 -1.67 0.00 -1.94 -2.19 119.26 119.41 1ivx h ALA 489 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ivx h ALA 489 Cb 1.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1ivx h ALA 489 CO 0.16 -0.42 0.60 0.00 0.00 0.00 0.00 179.25 179.59 1ivx h ARG 490 N 0.10 1.12 -0.53 0.00 3.08 -1.98 -1.95 114.38 114.22 1ivx h ARG 490 Ca 0.22 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1ivx h ARG 490 Cb 0.72 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1ivx h ARG 490 CO -0.02 0.74 0.05 0.25 -1.07 0.00 0.00 179.97 179.92 1ivx n THR 491 N -4.43 2.70 -2.36 2.04 -2.24 -0.87 -4.94 114.28 104.17 1ivx n THR 491 Ca 0.12 -1.58 -0.15 0.00 -2.27 0.00 0.00 64.05 60.17 1ivx n THR 491 Cb 0.09 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.02 1ivx n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 492 N 0.20 -0.38 3.64 3.38 0.00 -0.73 -0.03 105.19 111.28 1ivx n GLY 492 Ca 0.29 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.81 1ivx n GLY 492 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ivx n ARG 493 N -2.81 1.66 -4.35 1.61 0.63 -0.96 -4.66 116.66 107.77 1ivx n ARG 493 Ca -0.17 0.60 -0.21 0.00 -0.92 0.00 0.00 57.85 57.14 1ivx n ARG 493 Cb 0.62 -2.32 -0.08 0.00 0.45 0.00 0.00 32.46 31.13 1ivx n ARG 493 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1ivx s THR 494 N 1.42 0.18 -0.03 5.15 -4.23 -0.78 -4.78 115.64 112.56 1ivx s THR 494 Ca 0.85 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1ivx s THR 494 Cb -0.83 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 70.59 1ivx s THR 494 CO 0.46 0.00 -0.04 0.26 -0.54 0.00 0.00 174.62 174.76 1ivx s TRP 495 N -3.40 0.58 -0.13 3.99 0.51 -1.21 -1.15 118.94 118.14 1ivx s TRP 495 Ca 0.35 -0.13 -0.01 0.00 -2.12 0.00 0.00 56.10 54.19 1ivx s TRP 495 Cb 0.02 -0.53 -0.02 0.00 -0.81 0.00 0.00 33.47 32.13 1ivx s TRP 495 CO 0.23 -0.14 -0.09 0.42 -0.51 0.00 0.00 176.95 176.87 1ivx s ILE 496 N 0.73 3.47 -0.28 2.03 1.01 0.17 -0.35 121.20 127.98 1ivx s ILE 496 Ca -0.09 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1ivx s ILE 496 Cb -0.12 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1ivx s ILE 496 CO -0.00 0.53 0.11 -0.63 0.00 0.00 0.00 174.94 174.95 1ivx s ILE 497 N 0.12 4.45 0.28 2.92 1.09 -0.05 -0.85 121.20 129.16 1ivx s ILE 497 Ca -0.04 -0.32 0.09 0.00 -1.10 0.00 0.00 60.65 59.28 1ivx s ILE 497 Cb -0.14 -3.19 -0.05 0.00 -1.06 0.00 0.00 42.46 38.01 1ivx s ILE 497 CO 0.04 0.19 -0.13 -0.94 -0.10 0.00 0.00 174.94 174.00 1ivx s SER 498 N 1.61 3.18 -0.43 3.58 1.04 -0.31 -1.73 113.70 120.64 1ivx s SER 498 Ca 0.05 -1.11 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 1ivx s SER 498 Cb -0.16 -0.24 0.10 0.00 0.10 0.00 0.00 66.02 65.82 1ivx s SER 498 CO 0.05 -0.16 0.27 0.21 0.98 0.00 0.00 173.24 174.59 1ivx s ASN 499 N -3.47 5.53 0.00 7.02 3.84 -0.75 -1.43 114.94 125.68 1ivx s ASN 499 Ca 0.29 -1.78 0.06 0.00 0.21 0.00 0.00 52.86 51.63 1ivx s ASN 499 Cb -0.00 -1.94 0.32 0.00 -0.55 0.00 0.00 41.25 39.07 1ivx s ASN 499 CO 0.13 -0.59 0.95 -0.81 -2.79 0.00 0.00 177.10 173.99 1ivx n PRO 500 N 4.82 0.12 -0.06 0.43 -0.04 -1.26 -1.73 135.00 137.29 1ivx n PRO 500 Ca -0.07 0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1ivx n PRO 500 Cb 0.42 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1ivx n PRO 500 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ivx n GLU 501 N -1.18 1.88 -3.87 0.54 0.00 -1.26 -4.87 120.64 111.87 1ivx n GLU 501 Ca 0.03 -1.45 -0.29 0.00 0.00 0.00 0.00 57.16 55.45 1ivx n GLU 501 Cb 0.04 -1.12 -0.16 0.00 0.00 0.00 0.00 31.44 30.19 1ivx n GLU 501 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ivx s SER 502 N -0.82 3.18 0.06 4.31 0.15 -0.70 -5.10 113.70 114.78 1ivx s SER 502 Ca 0.10 -0.86 0.04 0.00 0.70 0.00 0.00 55.95 55.92 1ivx s SER 502 Cb 0.05 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1ivx s SER 502 CO 0.07 -0.23 -0.01 -0.54 1.20 0.00 0.00 173.24 173.74 1ivx s LYS 503 N 1.60 2.59 0.47 5.44 -0.14 -1.26 -0.58 119.74 127.87 1ivx s LYS 503 Ca -0.02 -0.78 -0.06 0.00 -1.36 0.00 0.00 55.97 53.75 1ivx s LYS 503 Cb -0.17 -2.56 0.10 0.00 -1.68 0.00 0.00 37.83 33.52 1ivx s LYS 503 CO -0.07 0.56 0.64 0.27 -0.76 0.00 0.00 175.35 175.99 1ivx n ASN 504 N 0.85 0.25 0.22 2.83 0.23 0.52 -4.82 115.26 115.34 1ivx n ASN 504 Ca -0.12 -1.35 0.16 0.00 -0.53 0.00 0.00 54.58 52.73 1ivx n ASN 504 Cb 0.52 -0.47 0.75 0.00 -2.08 0.00 0.00 39.78 38.49 1ivx n ASN 504 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1ivx h ARG 505 N 0.00 0.00 -0.62 -3.83 0.11 -1.89 0.05 114.38 108.20 1ivx h ARG 505 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1ivx h ARG 505 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1ivx h ARG 505 CO 0.17 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.52 1ivx n LEU 506 N -2.64 3.47 -3.48 0.08 4.77 -1.26 -4.91 117.00 113.04 1ivx n LEU 506 Ca -0.01 -1.75 -0.24 0.00 -0.03 0.00 0.00 56.01 53.98 1ivx n LEU 506 Cb 0.15 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1ivx n LEU 506 CO 0.19 0.57 0.18 -3.20 -1.33 0.00 0.00 177.39 173.80 1ivx n ASN 507 N 0.65 -6.25 -4.34 -1.43 2.85 0.01 -5.02 115.26 101.73 1ivx n ASN 507 Ca 0.18 -0.49 -0.31 0.00 -0.11 0.00 0.00 54.58 53.84 1ivx n ASN 507 Cb 0.67 -4.95 -0.15 0.00 1.24 0.00 0.00 39.78 36.59 1ivx n ASN 507 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1ivx s GLU 508 N -6.19 2.14 0.16 1.20 -1.05 -1.25 -4.85 118.70 108.86 1ivx s GLU 508 Ca 0.52 -0.91 -0.34 0.00 -0.15 0.00 0.00 54.97 54.09 1ivx s GLU 508 Cb -0.23 -2.09 -0.14 0.00 -0.44 0.00 0.00 34.13 31.22 1ivx s GLU 508 CO 0.65 0.56 1.47 -2.30 0.95 0.00 0.00 175.26 176.59 1ivx n PRO 509 N 2.34 1.86 -1.65 -4.83 -0.02 -1.26 -0.35 135.00 131.08 1ivx n PRO 509 Ca -0.16 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 1ivx n PRO 509 Cb 0.51 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1ivx n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ivx s VAL 510 N 0.57 2.75 0.28 -1.45 -7.23 0.25 -4.79 120.40 110.77 1ivx s VAL 510 Ca 0.78 0.37 -0.20 0.00 -1.81 0.00 0.00 61.98 61.12 1ivx s VAL 510 Cb -0.74 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.32 1ivx s VAL 510 CO 0.43 -0.19 0.88 -0.83 -0.31 0.00 0.00 175.10 175.08 1ivx s GLY 511 N -2.20 0.14 -0.04 2.32 0.00 -1.07 -1.81 107.32 104.66 1ivx s GLY 511 Ca 0.72 -0.44 -0.02 0.00 0.00 0.00 0.00 44.72 44.98 1ivx s GLY 511 CO 0.42 0.62 0.08 -0.19 0.00 0.00 0.00 173.10 174.03 1ivx s TYR 512 N -2.62 -0.07 -0.19 1.90 1.51 -0.71 -0.98 117.35 116.20 1ivx s TYR 512 Ca 0.16 0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 56.41 1ivx s TYR 512 Cb -0.04 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1ivx s TYR 512 CO 0.08 -0.10 0.09 0.21 -1.11 0.00 0.00 175.55 174.72 1ivx s LYS 513 N 0.80 4.05 -0.28 -0.62 2.20 0.12 -0.87 119.74 125.14 1ivx s LYS 513 Ca -0.06 -0.30 -0.18 0.00 -0.36 0.00 0.00 55.97 55.07 1ivx s LYS 513 Cb -0.09 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1ivx s LYS 513 CO -0.03 0.27 0.52 -1.17 -0.36 0.00 0.00 175.35 174.57 1ivx s LEU 514 N 0.41 4.09 -0.39 5.43 2.96 0.52 -0.31 118.68 131.40 1ivx s LEU 514 Ca 0.05 0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 1ivx s LEU 514 Cb -0.12 -2.65 0.04 0.00 0.50 0.00 0.00 46.19 43.96 1ivx s LEU 514 CO -0.00 -0.32 0.23 -1.00 -1.32 0.00 0.00 176.35 173.94 1ivx s HIS 515 N 2.34 3.26 0.48 5.38 3.76 0.66 -3.31 115.29 127.86 1ivx s HIS 515 Ca 0.21 -1.09 -0.06 0.00 -0.15 0.00 0.00 55.06 53.97 1ivx s HIS 515 Cb -0.16 -2.60 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 1ivx s HIS 515 CO 0.10 -0.71 0.80 0.00 -0.85 0.00 0.00 174.74 174.09 1ivx s ALA 516 N 1.53 3.37 -0.93 -1.40 0.00 -1.26 -2.55 121.76 120.52 1ivx s ALA 516 Ca 0.02 -0.42 0.27 0.00 0.00 0.00 0.00 51.96 51.83 1ivx s ALA 516 Cb -0.20 -2.65 0.91 0.00 0.00 0.00 0.00 23.12 21.18 1ivx s ALA 516 CO 0.06 -0.32 1.72 0.72 0.00 0.00 0.00 175.76 177.94 1ivx n HIS 517 N -2.14 0.20 -3.17 0.00 8.25 -1.26 -4.96 115.22 112.13 1ivx n HIS 517 Ca 0.01 0.06 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 1ivx n HIS 517 Cb 0.55 -0.52 0.04 0.00 1.12 0.00 0.00 29.99 31.17 1ivx n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ivx n ASN 518 N -1.68 -5.90 -4.78 0.41 3.02 -1.26 -5.01 115.26 100.06 1ivx n ASN 518 Ca 0.06 -0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 53.96 1ivx n ASN 518 Cb 0.36 -4.75 0.11 0.00 -0.61 0.00 0.00 39.78 34.89 1ivx n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ivx s GLN 519 N -5.86 1.68 0.58 3.52 -1.52 -1.26 -4.98 119.66 111.83 1ivx s GLN 519 Ca 0.37 0.59 -0.19 0.00 -1.95 0.00 0.00 55.36 54.18 1ivx s GLN 519 Cb -0.17 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 1ivx s GLN 519 CO 0.46 -1.89 1.17 -2.14 -0.25 0.00 0.00 175.29 172.64 1ivx s PRO 520 N -5.14 3.09 0.00 2.91 0.02 -1.26 -4.89 135.00 129.74 1ivx s PRO 520 Ca 0.62 1.72 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1ivx s PRO 520 Cb -0.15 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1ivx s PRO 520 CO 0.55 -1.08 0.00 0.25 -0.33 0.00 0.00 177.00 176.38 1ivx n THR 521 N -1.55 0.00 -1.68 0.99 -2.24 -1.26 -4.55 114.28 103.98 1ivx n THR 521 Ca 0.13 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.46 1ivx n THR 521 Cb 0.50 -1.42 -0.04 0.00 -2.10 0.00 0.00 70.33 67.28 1ivx n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ivx n LEU 522 N 0.00 3.67 0.09 3.22 7.94 0.58 -4.89 117.00 127.61 1ivx n LEU 522 Ca 0.00 0.99 0.04 0.00 -1.11 0.00 0.00 56.01 55.93 1ivx n LEU 522 Cb 0.00 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 42.46 1ivx n LEU 522 CO 0.00 0.01 0.05 -0.07 -1.11 0.00 0.00 177.39 176.27 1ivx h LEU 523 N 8.40 0.00 -9.41 -1.96 3.38 -1.93 -3.45 115.31 110.33 1ivx h LEU 523 Ca -0.47 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.93 1ivx h LEU 523 Cb 1.25 0.00 0.19 0.00 0.09 0.00 0.00 40.66 42.18 1ivx h LEU 523 CO 0.93 0.41 -0.70 0.00 0.09 0.00 0.00 178.44 179.18 1ivx n ALA 524 N -2.29 -2.13 -1.72 1.53 0.00 -1.26 -4.85 120.51 109.79 1ivx n ALA 524 Ca -0.04 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1ivx n ALA 524 Cb 0.74 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ivx n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ivx n ASP 525 N 0.87 2.96 -0.19 0.00 -0.08 -1.26 -4.86 116.55 113.99 1ivx n ASP 525 Ca 0.09 1.19 0.19 0.00 -1.51 0.00 0.00 54.79 54.74 1ivx n ASP 525 Cb 0.49 -1.52 0.54 0.00 2.34 0.00 0.00 41.12 42.97 1ivx n ASP 525 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ivx h PRO 526 N 2.51 0.33 -0.02 -0.67 0.13 -1.96 -0.53 132.00 131.79 1ivx h PRO 526 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ivx h PRO 526 Cb 1.28 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ivx h PRO 526 CO 0.62 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 1ivx n GLY 527 N -1.55 -0.54 3.74 1.56 0.00 -1.26 -4.53 105.19 102.61 1ivx n GLY 527 Ca 0.16 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1ivx n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ivx s SER 528 N -1.92 3.94 0.19 1.61 1.04 -0.21 -4.92 113.70 113.43 1ivx s SER 528 Ca 0.41 1.75 -0.05 0.00 0.48 0.00 0.00 55.95 58.53 1ivx s SER 528 Cb 0.20 -2.41 0.12 0.00 0.10 0.00 0.00 66.02 64.03 1ivx s SER 528 CO 0.33 -2.38 1.56 -1.28 0.98 0.00 0.00 173.24 172.45 1ivx h SER 529 N -1.37 0.78 -0.75 7.02 0.87 -1.91 -2.68 113.55 115.52 1ivx h SER 529 Ca -0.46 -0.34 -0.05 0.00 -1.23 0.00 0.00 61.79 59.71 1ivx h SER 529 Cb 1.25 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1ivx h SER 529 CO 0.51 1.06 0.26 -0.29 -0.53 0.00 0.00 176.83 177.85 1ivx h ILE 530 N 0.62 1.26 -0.56 2.23 6.09 -1.92 0.22 117.51 125.45 1ivx h ILE 530 Ca 0.06 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.68 1ivx h ILE 530 Cb 0.89 0.40 -0.03 0.00 0.47 0.00 0.00 36.82 38.55 1ivx h ILE 530 CO 0.08 0.35 0.35 0.00 -3.07 0.00 0.00 178.15 175.86 1ivx h ALA 531 N 1.17 1.56 0.16 0.18 0.00 -1.74 0.30 119.26 120.88 1ivx h ALA 531 Ca 0.25 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 1ivx h ALA 531 Cb 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ivx h ALA 531 CO -0.01 0.39 -1.06 0.00 0.00 0.00 0.00 179.25 178.57 1ivx h ARG 532 N 0.77 0.43 0.00 0.00 3.08 -1.09 -2.03 114.38 115.54 1ivx h ARG 532 Ca 0.20 -0.68 -0.12 0.00 0.07 0.00 0.00 59.98 59.45 1ivx h ARG 532 Cb -0.05 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1ivx h ARG 532 CO -0.04 1.31 -0.57 0.00 -1.07 0.00 0.00 179.97 179.60 1ivx h ARG 533 N -0.10 0.00 -1.14 0.04 3.08 -0.35 -1.12 114.38 114.80 1ivx h ARG 533 Ca -0.18 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.32 1ivx h ARG 533 Cb 1.81 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 31.44 1ivx h ARG 533 CO 0.20 0.57 -0.80 0.00 -1.07 0.00 0.00 179.97 178.87 1ivx n ALA 534 N -2.34 4.89 0.06 0.04 0.00 0.10 -4.76 120.51 118.50 1ivx n ALA 534 Ca -0.00 -4.00 0.19 0.00 0.00 0.00 0.00 53.44 49.63 1ivx n ALA 534 Cb 0.64 -0.48 0.71 0.00 0.00 0.00 0.00 19.45 20.32 1ivx n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivx h ALA 535 N 2.43 2.34 -0.64 0.00 0.00 -1.39 -1.07 119.26 120.94 1ivx h ALA 535 Ca 0.30 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1ivx h ALA 535 Cb 1.20 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1ivx h ALA 535 CO 0.77 -0.56 0.42 0.27 0.00 0.00 0.00 179.25 180.16 1ivx h PHE 536 N 0.00 0.60 0.00 0.00 -0.00 -1.86 -2.23 116.94 113.45 1ivx h PHE 536 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.19 1ivx h PHE 536 Cb 0.87 -0.20 0.00 0.00 -0.00 0.00 0.00 35.95 36.62 1ivx h PHE 536 CO 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 178.31 178.62 1ivx n ALA 537 N -2.48 1.73 1.14 12.09 0.00 -0.40 -3.05 120.51 129.54 1ivx n ALA 537 Ca 0.10 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1ivx n ALA 537 Cb 0.27 -1.31 0.54 0.00 0.00 0.00 0.00 19.45 18.96 1ivx n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ivx n THR 538 N -1.76 0.00 -4.06 0.00 -2.24 -0.84 -0.31 114.28 105.07 1ivx n THR 538 Ca 0.03 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1ivx n THR 538 Cb 0.21 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 1ivx n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ivx s LYS 539 N -2.83 0.54 0.06 -0.78 -0.14 -1.17 -4.75 119.74 110.67 1ivx s LYS 539 Ca 0.18 -0.91 -0.09 0.00 -1.36 0.00 0.00 55.97 53.79 1ivx s LYS 539 Cb 0.19 -0.07 -0.29 0.00 -1.68 0.00 0.00 37.83 35.98 1ivx s LYS 539 CO 0.55 -0.02 1.11 -0.44 -0.76 0.00 0.00 175.35 175.79 1ivx h ASP 540 N 4.01 0.63 -3.63 2.83 5.19 -1.69 -3.38 116.42 120.38 1ivx h ASP 540 Ca -0.34 -0.65 -0.27 0.00 -0.62 0.00 0.00 57.03 55.15 1ivx h ASP 540 Cb 1.19 -0.20 -0.31 0.00 0.18 0.00 0.00 39.33 40.18 1ivx h ASP 540 CO 0.50 1.49 -0.73 -0.22 -3.12 0.00 0.00 179.24 177.16 1ivx s LEU 541 N -7.44 1.55 -0.00 1.55 2.96 -0.47 -1.00 118.68 115.83 1ivx s LEU 541 Ca -0.06 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1ivx s LEU 541 Cb 0.06 -0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.69 1ivx s LEU 541 CO 0.91 -0.06 -0.15 0.26 -1.32 0.00 0.00 176.35 175.98 1ivx s TRP 542 N 0.52 1.38 -0.10 5.38 0.52 0.66 -0.67 118.94 126.64 1ivx s TRP 542 Ca -0.04 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 55.82 1ivx s TRP 542 Cb -0.06 -0.88 0.02 0.00 -1.15 0.00 0.00 33.47 31.39 1ivx s TRP 542 CO -0.01 -0.01 -0.13 0.08 0.02 0.00 0.00 176.95 176.90 1ivx s VAL 543 N -0.43 1.28 0.13 4.03 1.01 -0.73 0.21 120.40 125.91 1ivx s VAL 543 Ca 0.06 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1ivx s VAL 543 Cb -0.06 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1ivx s VAL 543 CO -0.00 0.40 -0.11 0.42 0.00 0.00 0.00 175.10 175.81 1ivx s THR 544 N 1.04 1.13 0.23 3.92 -4.23 -0.52 -4.75 115.64 112.47 1ivx s THR 544 Ca -0.07 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 1ivx s THR 544 Cb -0.15 -1.71 -0.09 0.00 1.34 0.00 0.00 72.50 71.90 1ivx s THR 544 CO -0.01 -0.67 1.10 -0.60 -0.54 0.00 0.00 174.62 173.89 1ivx s ARG 545 N -3.43 4.62 0.38 3.99 6.06 -1.26 -0.88 118.95 128.42 1ivx s ARG 545 Ca 0.13 1.76 -0.27 0.00 -2.50 0.00 0.00 55.73 54.85 1ivx s ARG 545 Cb 0.01 -3.24 -0.09 0.00 0.06 0.00 0.00 34.95 31.69 1ivx s ARG 545 CO 0.01 0.14 1.32 -0.47 -2.50 0.00 0.00 175.30 173.80 1ivx s TYR 546 N -0.67 2.87 -0.15 5.12 6.14 -0.51 -4.81 117.35 125.34 1ivx s TYR 546 Ca 0.47 1.39 -0.08 0.00 0.64 0.00 0.00 57.07 59.48 1ivx s TYR 546 Cb -0.31 -3.71 0.06 0.00 0.42 0.00 0.00 41.96 38.42 1ivx s TYR 546 CO 0.38 -2.10 0.37 0.00 0.64 0.00 0.00 175.55 174.83 1ivx s ALA 547 N -1.21 -0.94 -0.86 3.97 0.00 -1.26 -5.02 121.76 116.44 1ivx s ALA 547 Ca 0.54 1.40 0.09 0.00 0.00 0.00 0.00 51.96 53.99 1ivx s ALA 547 Cb -0.39 -0.86 0.42 0.00 0.00 0.00 0.00 23.12 22.29 1ivx s ALA 547 CO 0.52 -0.25 1.29 -0.40 0.00 0.00 0.00 175.76 176.92 1ivx n ASP 548 N 4.22 0.13 -1.00 0.00 5.68 -1.26 -1.62 116.55 122.70 1ivx n ASP 548 Ca -0.24 0.55 0.10 0.00 -0.50 0.00 0.00 54.79 54.70 1ivx n ASP 548 Cb 0.55 -0.57 0.19 0.00 -1.14 0.00 0.00 41.12 40.15 1ivx n ASP 548 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1ivx n ASP 549 N -1.66 3.23 -4.19 -1.12 3.85 -1.26 -4.66 116.55 110.74 1ivx n ASP 549 Ca 0.01 -1.93 -0.40 0.00 -0.71 0.00 0.00 54.79 51.77 1ivx n ASP 549 Cb 0.08 -0.23 -0.05 0.00 -1.35 0.00 0.00 41.12 39.57 1ivx n ASP 549 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1ivx s GLU 550 N -1.29 3.41 -0.17 0.11 2.02 -0.64 -4.83 118.70 117.30 1ivx s GLU 550 Ca 0.34 -3.03 0.14 0.00 0.02 0.00 0.00 54.97 52.44 1ivx s GLU 550 Cb 0.19 -4.12 -0.20 0.00 0.10 0.00 0.00 34.13 30.10 1ivx s GLU 550 CO 0.27 -1.25 0.03 0.54 0.02 0.00 0.00 175.26 174.87 1ivx n ARG 551 N 2.84 1.15 -4.78 1.61 1.74 -1.26 -4.78 116.66 113.17 1ivx n ARG 551 Ca 0.19 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 1ivx n ARG 551 Cb 0.39 -1.44 -0.15 0.00 -1.02 0.00 0.00 32.46 30.24 1ivx n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ivx s TYR 552 N -2.41 1.69 -0.61 -1.55 2.02 -1.26 -4.92 117.35 110.30 1ivx s TYR 552 Ca -0.11 -0.34 0.21 0.00 -0.37 0.00 0.00 57.07 56.46 1ivx s TYR 552 Cb 0.05 -1.05 0.88 0.00 -0.40 0.00 0.00 41.96 41.44 1ivx s TYR 552 CO 0.68 0.01 1.63 -0.35 -1.57 0.00 0.00 175.55 175.95 1ivx n PRO 553 N 2.33 0.14 0.00 -1.71 -0.04 -1.26 -2.06 135.00 132.39 1ivx n PRO 553 Ca -0.16 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1ivx n PRO 553 Cb 0.54 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.18 1ivx n PRO 553 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ivx n THR 554 N -2.04 0.00 0.00 0.52 -2.24 -1.26 -1.83 114.28 107.43 1ivx n THR 554 Ca 0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1ivx n THR 554 Cb 0.20 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1ivx n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ivx n GLY 555 N 1.17 0.78 0.10 3.38 0.00 -0.87 -3.75 105.19 106.00 1ivx n GLY 555 Ca 0.02 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.86 1ivx n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ivx h ASP 556 N 0.00 0.02 -3.45 1.61 3.32 -1.91 -3.40 116.42 112.61 1ivx h ASP 556 Ca 0.00 -0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.41 1ivx h ASP 556 Cb 0.00 -0.01 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 1ivx h ASP 556 CO 0.00 0.84 -0.68 -0.36 -1.72 0.00 0.00 179.24 177.32 1ivx s PHE 557 N -3.14 2.77 0.18 4.55 0.08 -1.26 -4.92 117.98 116.24 1ivx s PHE 557 Ca -0.00 -2.95 -0.00 0.00 0.12 0.00 0.00 56.93 54.10 1ivx s PHE 557 Cb 0.11 -2.32 0.06 0.00 -0.57 0.00 0.00 43.02 40.31 1ivx s PHE 557 CO 0.80 -0.69 1.43 0.28 -0.10 0.00 0.00 175.22 176.94 1ivx h VAL 558 N 4.93 1.39 -1.70 -0.44 2.07 -1.77 -3.39 116.25 117.33 1ivx h VAL 558 Ca 0.06 -2.19 -0.67 0.00 0.82 0.00 0.00 66.70 64.72 1ivx h VAL 558 Cb 0.85 2.16 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1ivx h VAL 558 CO 0.61 0.66 1.09 -3.20 0.02 0.00 0.00 177.57 176.74 1ivx n ASN 559 N -3.82 2.85 -2.59 0.57 5.15 -1.25 -1.82 115.26 114.36 1ivx n ASN 559 Ca -0.04 0.91 -0.11 0.00 -0.60 0.00 0.00 54.58 54.74 1ivx n ASN 559 Cb 0.71 -1.27 -0.00 0.00 -0.53 0.00 0.00 39.78 38.69 1ivx n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ivx n GLN 560 N 6.47 -2.54 -3.01 1.20 6.02 -1.26 -0.11 117.38 124.15 1ivx n GLN 560 Ca 0.27 0.45 -0.39 0.00 -0.01 0.00 0.00 57.00 57.32 1ivx n GLN 560 Cb 0.22 -5.04 -0.06 0.00 1.02 0.00 0.00 30.24 26.39 1ivx n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ivx s HIS 561 N -2.53 3.87 0.46 1.08 2.46 -0.75 -4.57 115.29 115.31 1ivx s HIS 561 Ca 0.06 1.56 0.12 0.00 0.47 0.00 0.00 55.06 57.27 1ivx s HIS 561 Cb -0.03 -2.75 1.06 0.00 -0.13 0.00 0.00 32.58 30.73 1ivx s HIS 561 CO 0.07 0.48 2.10 0.66 -2.47 0.00 0.00 174.74 175.58 1ivx h SER 562 N 4.59 0.22 -3.59 9.88 4.64 -1.90 -3.44 113.55 123.94 1ivx h SER 562 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ivx h SER 562 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1ivx h SER 562 CO 0.67 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1ivx n GLY 563 N -1.47 4.65 2.63 -0.77 0.00 -1.26 -4.70 105.19 104.27 1ivx n GLY 563 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ivx n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ivx n GLY 564 N -1.93 0.55 0.30 -0.02 0.00 -0.42 -4.92 105.19 98.74 1ivx n GLY 564 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ivx n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ivx h ALA 565 N 0.00 1.16 -3.00 4.61 0.00 -1.81 -3.27 119.26 116.95 1ivx h ALA 565 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ivx h ALA 565 Cb 0.13 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ivx h ALA 565 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 1ivx n GLY 566 N -1.37 0.78 0.31 0.00 0.00 -1.25 -4.57 105.19 99.09 1ivx n GLY 566 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1ivx n GLY 566 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ivx n LEU 567 N 0.00 -0.31 0.11 0.99 4.77 -0.76 0.76 117.00 122.55 1ivx n LEU 567 Ca 0.00 1.47 0.04 0.00 -0.03 0.00 0.00 56.01 57.49 1ivx n LEU 567 Cb 0.00 -0.44 0.45 0.00 -2.33 0.00 0.00 43.42 41.10 1ivx n LEU 567 CO 0.00 -1.41 1.02 -0.65 -1.33 0.00 0.00 177.39 175.02 1ivx h PRO 568 N 0.00 0.29 -0.03 3.23 0.11 -1.85 0.17 132.00 133.92 1ivx h PRO 568 Ca 0.41 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 1ivx h PRO 568 Cb 0.62 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.68 1ivx h PRO 568 CO -0.88 0.30 -0.31 1.03 -0.21 0.00 0.00 178.00 177.93 1ivx h SER 569 N 0.29 0.33 0.17 -2.05 0.87 0.30 -2.55 113.55 110.91 1ivx h SER 569 Ca 0.07 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1ivx h SER 569 Cb 0.15 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1ivx h SER 569 CO -0.00 0.98 -0.15 1.88 -0.53 0.00 0.00 176.83 179.01 1ivx h TYR 570 N -0.30 -0.39 -0.33 2.24 0.05 -0.99 -1.69 116.97 115.56 1ivx h TYR 570 Ca -0.03 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.85 1ivx h TYR 570 Cb 1.00 0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 1ivx h TYR 570 CO 0.15 -0.23 0.27 0.82 -1.05 0.00 0.00 178.16 178.12 1ivx h ILE 571 N -0.34 0.66 0.00 -2.88 1.08 -1.05 -0.76 117.51 114.22 1ivx h ILE 571 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ivx h ILE 571 Cb 0.32 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1ivx h ILE 571 CO -0.03 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.42 1ivx h ALA 572 N 1.77 1.03 0.00 1.87 0.00 -0.86 -1.78 119.26 121.29 1ivx h ALA 572 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ivx h ALA 572 Cb 0.69 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ivx h ALA 572 CO -0.00 0.01 -0.10 1.96 0.00 0.00 0.00 179.25 181.12 1ivx h GLN 573 N 0.00 0.00 -6.26 0.00 4.20 -1.17 -3.47 115.11 108.40 1ivx h GLN 573 Ca -0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 1ivx h GLN 573 Cb 0.22 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1ivx h GLN 573 CO 0.00 0.10 -0.85 -3.47 -0.67 0.00 0.00 178.83 173.95 1ivx n ASP 574 N -3.26 -0.96 -4.90 1.46 4.64 -0.67 -4.96 116.55 107.89 1ivx n ASP 574 Ca 0.00 -0.89 -0.29 0.00 -1.38 0.00 0.00 54.79 52.23 1ivx n ASP 574 Cb 0.35 -3.64 0.08 0.00 -1.04 0.00 0.00 41.12 36.87 1ivx n ASP 574 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1ivx s ARG 575 N -6.24 2.10 -0.26 -0.67 0.52 -1.26 -4.57 118.95 108.57 1ivx s ARG 575 Ca 0.03 0.13 -0.27 0.00 -0.52 0.00 0.00 55.73 55.11 1ivx s ARG 575 Cb -0.02 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1ivx s ARG 575 CO 0.84 -1.50 0.94 0.34 0.02 0.00 0.00 175.30 175.95 1ivx s ASP 576 N -4.55 6.92 0.00 0.23 2.15 -1.26 -2.10 116.67 118.06 1ivx s ASP 576 Ca 0.61 1.11 0.10 0.00 0.43 0.00 0.00 52.55 54.80 1ivx s ASP 576 Cb -0.11 -2.49 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 1ivx s ASP 576 CO 0.49 -0.65 0.76 2.30 -0.17 0.00 0.00 175.17 177.90 1ivx n ILE 577 N 5.42 0.00 -2.61 4.11 -5.35 -0.15 -4.71 119.36 116.07 1ivx n ILE 577 Ca 0.09 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.67 1ivx n ILE 577 Cb 0.47 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 1ivx n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ivx s ASP 578 N -0.95 6.61 0.00 7.28 -1.08 -1.06 -3.75 116.67 123.72 1ivx s ASP 578 Ca 0.11 -1.78 0.00 0.00 -0.52 0.00 0.00 52.55 50.35 1ivx s ASP 578 Cb 0.08 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1ivx s ASP 578 CO 0.15 -1.37 0.00 0.61 0.52 0.00 0.00 175.17 175.09 1ivx n GLY 579 N 6.33 0.99 3.55 2.66 0.00 0.90 -4.98 105.19 114.63 1ivx n GLY 579 Ca 0.36 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1ivx n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ivx s GLN 580 N -2.04 2.02 -0.46 1.61 -1.52 0.00 -4.41 119.66 114.87 1ivx s GLN 580 Ca 0.00 -2.26 -0.29 0.00 -1.95 0.00 0.00 55.36 50.86 1ivx s GLN 580 Cb 0.00 -0.63 0.02 0.00 -0.22 0.00 0.00 33.01 32.17 1ivx s GLN 580 CO 0.00 -0.53 1.31 0.34 -0.25 0.00 0.00 175.29 176.16 1ivx s ASP 581 N -3.66 6.41 0.33 5.90 -1.08 -1.14 -0.73 116.67 122.70 1ivx s ASP 581 Ca 0.20 0.61 0.06 0.00 -0.52 0.00 0.00 52.55 52.90 1ivx s ASP 581 Cb 0.01 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 1ivx s ASP 581 CO 0.14 -1.41 -0.02 0.27 0.52 0.00 0.00 175.17 174.66 1ivx s ILE 582 N 5.18 1.71 -0.04 4.11 -4.36 -1.26 -1.42 121.20 125.11 1ivx s ILE 582 Ca 0.55 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1ivx s ILE 582 Cb -0.11 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.94 1ivx s ILE 582 CO 0.31 -0.15 -0.05 -0.69 0.24 0.00 0.00 174.94 174.60 1ivx s VAL 583 N -2.95 0.57 -0.17 8.37 1.01 -0.06 -2.09 120.40 125.08 1ivx s VAL 583 Ca 0.33 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1ivx s VAL 583 Cb 0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1ivx s VAL 583 CO 0.15 0.22 0.06 -0.69 0.00 0.00 0.00 175.10 174.84 1ivx s VAL 584 N 0.78 4.75 -0.28 2.92 1.01 0.15 -1.43 120.40 128.30 1ivx s VAL 584 Ca -0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ivx s VAL 584 Cb -0.14 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1ivx s VAL 584 CO 0.00 0.49 -0.05 0.26 0.00 0.00 0.00 175.10 175.80 1ivx s TRP 585 N 0.15 3.22 -0.26 5.22 0.52 0.13 0.66 118.94 128.59 1ivx s TRP 585 Ca 0.04 -1.97 -0.09 0.00 0.02 0.00 0.00 56.10 54.10 1ivx s TRP 585 Cb -0.12 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.13 1ivx s TRP 585 CO 0.01 -0.82 0.11 -1.58 0.02 0.00 0.00 176.95 174.69 1ivx s HIS 586 N 1.21 3.14 -0.14 -1.98 2.46 -0.53 -0.25 115.29 119.20 1ivx s HIS 586 Ca -0.05 -0.23 -0.19 0.00 0.47 0.00 0.00 55.06 55.05 1ivx s HIS 586 Cb -0.19 -2.29 -0.04 0.00 -0.13 0.00 0.00 32.58 29.93 1ivx s HIS 586 CO -0.03 -0.29 0.54 0.99 -2.47 0.00 0.00 174.74 173.48 1ivx s THR 587 N 1.67 5.12 -0.20 0.89 2.01 -0.17 -1.28 115.64 123.68 1ivx s THR 587 Ca 0.07 1.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.98 1ivx s THR 587 Cb -0.15 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.53 1ivx s THR 587 CO 0.06 0.25 0.50 0.72 -0.69 0.00 0.00 174.62 175.47 1ivx s PHE 588 N 1.05 -0.63 0.34 4.92 -0.71 -0.78 -4.69 117.98 117.48 1ivx s PHE 588 Ca 0.28 1.44 -0.17 0.00 -1.04 0.00 0.00 56.93 57.43 1ivx s PHE 588 Cb -0.16 0.27 0.06 0.00 -1.21 0.00 0.00 43.02 41.97 1ivx s PHE 588 CO 0.11 -0.32 0.82 0.20 -1.34 0.00 0.00 175.22 174.70 1ivx s GLY 589 N 0.74 0.28 -0.12 1.99 0.00 -1.26 -0.35 107.32 108.60 1ivx s GLY 589 Ca -0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 44.72 43.97 1ivx s GLY 589 CO -0.05 0.11 0.13 1.08 0.00 0.00 0.00 173.10 174.37 1ivx s LEU 590 N -3.10 4.35 -0.37 0.66 1.43 0.33 -4.64 118.68 117.33 1ivx s LEU 590 Ca 0.16 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 1ivx s LEU 590 Cb -0.05 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1ivx s LEU 590 CO 0.10 0.40 0.18 -0.89 0.23 0.00 0.00 176.35 176.37 1ivx s THR 591 N -0.97 4.13 -0.32 5.49 2.01 -1.26 -1.01 115.64 123.71 1ivx s THR 591 Ca 0.15 -1.16 -0.14 0.00 0.31 0.00 0.00 61.69 60.85 1ivx s THR 591 Cb -0.12 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 1ivx s THR 591 CO 0.04 -0.31 0.30 -2.28 -0.69 0.00 0.00 174.62 171.67 1ivx s HIS 592 N 1.45 3.22 -0.54 4.92 2.46 0.50 -5.01 115.29 122.30 1ivx s HIS 592 Ca 0.01 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.55 1ivx s HIS 592 Cb -0.21 -2.55 0.14 0.00 -0.13 0.00 0.00 32.58 29.84 1ivx s HIS 592 CO 0.04 -0.33 0.31 -0.06 -2.47 0.00 0.00 174.74 172.23 1ivx s PHE 593 N 1.89 3.37 0.51 3.88 0.08 -1.26 -2.11 117.98 124.34 1ivx s PHE 593 Ca 0.10 -2.89 -0.20 0.00 0.12 0.00 0.00 56.93 54.05 1ivx s PHE 593 Cb -0.17 -3.04 -0.09 0.00 -0.57 0.00 0.00 43.02 39.16 1ivx s PHE 593 CO 0.11 -0.83 0.71 -2.30 -0.10 0.00 0.00 175.22 172.81 1ivx n PRO 594 N 3.51 0.77 -4.46 0.24 -0.02 -1.26 -5.01 135.00 128.78 1ivx n PRO 594 Ca 0.05 0.29 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 1ivx n PRO 594 Cb 0.36 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1ivx n PRO 594 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1ivx s ARG 595 N -2.05 1.63 0.42 -0.52 1.70 -1.26 -4.79 118.95 114.07 1ivx s ARG 595 Ca 0.67 -1.79 0.18 0.00 -0.47 0.00 0.00 55.73 54.32 1ivx s ARG 595 Cb -0.50 -1.50 1.09 0.00 -0.57 0.00 0.00 34.95 33.47 1ivx s ARG 595 CO 0.55 0.19 1.86 0.28 -1.08 0.00 0.00 175.30 177.09 1ivx h VAL 596 N 2.25 0.68 0.00 4.99 2.07 -1.88 0.14 116.25 124.50 1ivx h VAL 596 Ca -0.40 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1ivx h VAL 596 Cb 1.24 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ivx h VAL 596 CO 0.65 0.07 0.00 -1.84 0.02 0.00 0.00 177.57 176.47 1ivx n GLU 597 N -4.50 0.53 0.03 1.57 0.00 -1.26 -2.17 120.64 114.84 1ivx n GLU 597 Ca 0.19 0.04 0.13 0.00 0.00 0.00 0.00 57.16 57.51 1ivx n GLU 597 Cb 0.69 -1.50 0.41 0.00 0.00 0.00 0.00 31.44 31.04 1ivx n GLU 597 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ivx n ASP 598 N -1.15 0.40 -4.63 -1.84 8.00 0.47 -4.44 116.55 113.36 1ivx n ASP 598 Ca 0.14 0.26 -0.34 0.00 0.71 0.00 0.00 54.79 55.57 1ivx n ASP 598 Cb 0.14 -0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 1ivx n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1ivx s TRP 599 N -3.05 3.03 -0.00 1.24 -0.11 -0.92 -1.26 118.94 117.86 1ivx s TRP 599 Ca 0.11 0.08 0.18 0.00 1.22 0.00 0.00 56.10 57.69 1ivx s TRP 599 Cb 0.16 -1.72 0.40 0.00 -1.50 0.00 0.00 33.47 30.81 1ivx s TRP 599 CO 0.62 0.40 1.60 -1.00 -4.62 0.00 0.00 176.95 173.95 1ivx h PRO 600 N 5.00 0.00 -4.13 5.86 0.13 -1.88 -3.48 132.00 133.49 1ivx h PRO 600 Ca -0.49 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.20 1ivx h PRO 600 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 1ivx h PRO 600 CO 0.54 0.42 -0.78 -1.50 -0.23 0.00 0.00 178.00 176.45 1ivx s ILE 601 N -3.27 0.68 0.18 -3.56 2.07 -1.24 -4.76 121.20 111.29 1ivx s ILE 601 Ca 0.02 -0.20 -0.30 0.00 -1.41 0.00 0.00 60.65 58.77 1ivx s ILE 601 Cb 0.09 -0.68 -0.07 0.00 0.13 0.00 0.00 42.46 41.93 1ivx s ILE 601 CO 0.71 0.26 1.02 0.00 -1.91 0.00 0.00 174.94 175.02 1ivx s MET 602 N 0.92 4.69 0.48 3.50 0.23 -0.39 -4.77 119.30 123.95 1ivx s MET 602 Ca -0.11 1.59 -0.21 0.00 -1.03 0.00 0.00 55.69 55.94 1ivx s MET 602 Cb -0.15 -3.30 -0.08 0.00 -1.53 0.00 0.00 34.83 29.77 1ivx s MET 602 CO 0.00 0.22 1.05 -2.14 -2.03 0.00 0.00 175.02 172.12 1ivx s PRO 603 N -0.48 3.80 0.22 3.16 0.02 -1.26 -4.32 135.00 136.12 1ivx s PRO 603 Ca 0.47 1.40 -0.32 0.00 0.02 0.00 0.00 61.00 62.56 1ivx s PRO 603 Cb -0.27 -2.13 -0.13 0.00 0.02 0.00 0.00 34.50 31.99 1ivx s PRO 603 CO 0.33 -0.44 1.48 0.28 -0.33 0.00 0.00 177.00 178.32 1ivx n VAL 604 N -0.91 0.63 -4.43 3.83 0.31 -1.26 -4.82 118.33 111.68 1ivx n VAL 604 Ca 0.09 -0.16 -0.25 0.00 -0.01 0.00 0.00 64.34 64.01 1ivx n VAL 604 Cb 0.52 -1.54 -0.10 0.00 -0.91 0.00 0.00 33.84 31.80 1ivx n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ivx s ASP 605 N 0.52 3.64 0.05 4.52 2.15 -0.85 -4.95 116.67 121.74 1ivx s ASP 605 Ca 0.71 -0.93 -0.01 0.00 0.43 0.00 0.00 52.55 52.76 1ivx s ASP 605 Cb -0.64 -0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 41.60 1ivx s ASP 605 CO 0.45 0.07 -0.03 0.42 -0.17 0.00 0.00 175.17 175.91 1ivx s THR 606 N -2.18 0.23 0.17 1.71 -4.23 -1.26 -0.88 115.64 109.20 1ivx s THR 606 Ca 0.27 -1.72 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 1ivx s THR 606 Cb -0.06 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.38 1ivx s THR 606 CO 0.14 -0.94 0.31 -0.69 -0.54 0.00 0.00 174.62 172.90 1ivx s VAL 607 N -3.65 0.06 -1.56 2.29 1.01 -0.69 -4.97 120.40 112.89 1ivx s VAL 607 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1ivx s VAL 607 Cb 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1ivx s VAL 607 CO -0.09 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1ivx n GLY 608 N -0.23 -0.54 3.83 4.51 0.00 -1.26 -0.04 105.19 111.46 1ivx n GLY 608 Ca -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 1ivx n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ivx s PHE 609 N -3.01 0.00 0.21 1.61 -0.12 -1.01 -4.12 117.98 111.54 1ivx s PHE 609 Ca 0.00 -0.34 -0.21 0.00 -0.05 0.00 0.00 56.93 56.33 1ivx s PHE 609 Cb 0.00 0.66 0.04 0.00 -0.63 0.00 0.00 43.02 43.10 1ivx s PHE 609 CO 0.00 -0.81 0.63 -1.59 -0.05 0.00 0.00 175.22 173.40 1ivx s LYS 610 N -2.51 1.49 -0.03 1.99 -2.85 -1.06 -2.03 119.74 114.74 1ivx s LYS 610 Ca 0.19 -0.74 0.03 0.00 -1.00 0.00 0.00 55.97 54.45 1ivx s LYS 610 Cb -0.01 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 1ivx s LYS 610 CO 0.03 -0.66 -0.10 -0.51 0.10 0.00 0.00 175.35 174.21 1ivx s LEU 611 N -2.84 1.77 0.02 2.77 1.02 0.54 -0.24 118.68 121.73 1ivx s LEU 611 Ca 0.06 -0.21 0.08 0.00 0.02 0.00 0.00 54.13 54.08 1ivx s LEU 611 Cb -0.03 -0.62 -0.02 0.00 0.02 0.00 0.00 46.19 45.54 1ivx s LEU 611 CO -0.04 0.07 -0.24 -0.13 0.02 0.00 0.00 176.35 176.03 1ivx s ARG 612 N 0.25 1.75 0.27 1.70 0.52 0.58 -1.59 118.95 122.43 1ivx s ARG 612 Ca -0.05 -0.98 -0.31 0.00 -0.52 0.00 0.00 55.73 53.88 1ivx s ARG 612 Cb -0.10 -1.83 -0.12 0.00 0.52 0.00 0.00 34.95 33.42 1ivx s ARG 612 CO 0.01 0.48 1.59 -0.35 0.02 0.00 0.00 175.30 177.05 1ivx n PRO 613 N 2.05 2.61 -3.84 3.54 -0.04 -1.26 0.11 135.00 138.16 1ivx n PRO 613 Ca -0.16 0.93 -0.28 0.00 -0.04 0.00 0.00 63.50 63.94 1ivx n PRO 613 Cb 0.52 -2.70 -0.12 0.00 -0.04 0.00 0.00 33.50 31.15 1ivx n PRO 613 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1ivx s GLU 614 N -0.20 2.13 -0.77 0.54 2.56 -0.15 -4.75 118.70 118.06 1ivx s GLU 614 Ca 0.67 -2.99 -0.02 0.00 0.00 0.00 0.00 54.97 52.63 1ivx s GLU 614 Cb -0.52 -3.11 0.00 0.00 2.00 0.00 0.00 34.13 32.50 1ivx s GLU 614 CO 0.46 -1.26 0.23 0.41 -0.56 0.00 0.00 175.26 174.55 1ivx n GLY 615 N 2.38 0.07 0.10 -1.50 0.00 -1.26 -2.61 105.19 102.38 1ivx n GLY 615 Ca 0.17 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1ivx n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ivx h PHE 616 N -0.54 0.20 -2.85 1.61 3.57 -1.86 -3.34 116.94 113.73 1ivx h PHE 616 Ca -0.25 -0.15 -0.46 0.00 3.53 0.00 0.00 57.97 60.65 1ivx h PHE 616 Cb 1.18 -0.01 0.04 0.00 2.79 0.00 0.00 35.95 39.95 1ivx h PHE 616 CO 0.26 1.35 -0.03 -0.06 -2.23 0.00 0.00 178.31 177.60 1ivx s PHE 617 N -2.37 3.12 -1.22 0.41 0.40 -1.26 -4.86 117.98 112.20 1ivx s PHE 617 Ca -0.22 0.23 0.27 0.00 -0.60 0.00 0.00 56.93 56.62 1ivx s PHE 617 Cb 0.02 -2.52 0.82 0.00 0.51 0.00 0.00 43.02 41.85 1ivx s PHE 617 CO 0.70 -0.60 1.62 -0.25 0.70 0.00 0.00 175.22 177.40 1ivx n ASP 618 N -2.25 0.47 -2.39 1.36 8.00 -1.26 -4.88 116.55 115.59 1ivx n ASP 618 Ca 0.04 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1ivx n ASP 618 Cb 0.58 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.71 1ivx n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1ivx n ARG 619 N -1.28 0.20 -1.68 -1.24 1.85 -1.26 -4.92 116.66 108.32 1ivx n ARG 619 Ca 0.08 -0.56 -0.47 0.00 -1.00 0.00 0.00 57.85 55.91 1ivx n ARG 619 Cb 0.33 0.84 -0.04 0.00 -1.05 0.00 0.00 32.46 32.53 1ivx n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1ivx n SER 620 N -0.77 3.40 0.00 2.89 2.88 -1.26 -4.84 113.62 115.92 1ivx n SER 620 Ca 0.01 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.69 1ivx n SER 620 Cb 0.31 -1.42 0.73 0.00 -0.75 0.00 0.00 64.21 63.08 1ivx n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ivx n PRO 621 N 5.29 0.85 -0.57 -1.46 -0.04 -1.26 -3.72 135.00 134.07 1ivx n PRO 621 Ca 0.20 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1ivx n PRO 621 Cb 0.30 -1.45 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 1ivx n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1ivx n VAL 622 N -0.95 2.34 0.23 0.52 0.24 -1.26 -4.65 118.33 114.80 1ivx n VAL 622 Ca 0.18 -2.51 0.12 0.00 -2.04 0.00 0.00 64.34 60.09 1ivx n VAL 622 Cb 0.08 -0.28 0.46 0.00 -1.47 0.00 0.00 33.84 32.63 1ivx n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ivx h LEU 623 N 1.06 0.00 -0.79 1.34 3.38 -1.98 -3.01 115.31 115.32 1ivx h LEU 623 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ivx h LEU 623 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1ivx h LEU 623 CO 0.24 0.16 0.00 -0.90 0.09 0.00 0.00 178.44 178.03 1ivx n ASP 624 N -3.27 1.22 -4.76 -0.43 5.75 -1.26 -4.88 116.55 108.93 1ivx n ASP 624 Ca 0.01 -1.45 -0.41 0.00 -0.01 0.00 0.00 54.79 52.92 1ivx n ASP 624 Cb 0.43 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 1ivx n ASP 624 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ivx s VAL 625 N -1.96 3.04 0.94 2.12 -7.23 -1.14 -4.99 120.40 111.18 1ivx s VAL 625 Ca 0.38 0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 61.40 1ivx s VAL 625 Cb 0.20 -3.62 0.15 0.00 0.56 0.00 0.00 36.38 33.67 1ivx s VAL 625 CO 0.32 0.20 1.11 -2.16 -0.31 0.00 0.00 175.10 174.27 1ivx s PRO 626 N -1.11 0.93 0.06 4.82 0.04 -1.26 -4.97 135.00 133.50 1ivx s PRO 626 Ca 0.51 0.43 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 1ivx s PRO 626 Cb -0.37 -1.80 -0.28 0.00 0.04 0.00 0.00 34.50 32.09 1ivx s PRO 626 CO 0.45 -2.37 1.12 0.00 0.04 0.00 0.00 177.00 176.24 1ivx h ALA 627 N -1.63 0.02 0.00 8.56 0.00 -1.94 -3.45 119.26 120.82 1ivx h ALA 627 Ca -0.52 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1ivx h ALA 627 Cb 1.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ivx h ALA 627 CO 0.60 0.68 0.00 0.09 0.00 0.00 0.00 179.25 180.61