#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqy s SER 10 N 0.00 6.64 0.00 0.00 0.15 -1.26 -4.88 113.70 114.35 1iqy s SER 10 Ca 0.00 2.65 0.16 0.00 0.70 0.00 0.00 55.95 59.46 1iqy s SER 10 Cb 0.00 -2.62 0.94 0.00 -1.71 0.00 0.00 66.02 62.63 1iqy s SER 10 CO 0.00 -0.72 1.42 -0.81 1.20 0.00 0.00 173.24 174.32 1iqy n PRO 11 N 2.65 0.71 0.00 5.44 -0.04 -1.26 -2.23 135.00 140.26 1iqy n PRO 11 Ca 0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1iqy n PRO 11 Cb 0.40 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1iqy n PRO 11 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1iqy n PHE 12 N -0.85 0.00 -0.80 0.54 3.72 -1.26 -4.68 117.46 114.13 1iqy n PHE 12 Ca 0.12 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.20 1iqy n PHE 12 Cb 0.05 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.74 1iqy n PHE 12 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1iqy n ARG 13 N 0.33 -0.29 -2.25 -1.08 1.85 -0.95 -4.78 116.66 109.50 1iqy n ARG 13 Ca 0.06 -0.02 -0.35 0.00 -1.00 0.00 0.00 57.85 56.54 1iqy n ARG 13 Cb 0.28 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 1iqy n ARG 13 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1iqy s LEU 14 N -4.87 3.79 0.30 2.89 1.43 -1.26 -4.97 118.68 115.99 1iqy s LEU 14 Ca 0.66 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 55.67 1iqy s LEU 14 Cb -0.24 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.34 1iqy s LEU 14 CO 0.59 -1.18 1.59 0.00 0.23 0.00 0.00 176.35 177.58 1iqy n ALA 15 N -1.16 2.52 -2.40 4.21 0.00 -1.26 -5.00 120.51 117.42 1iqy n ALA 15 Ca 0.11 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 1iqy n ALA 15 Cb 0.50 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.49 1iqy n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iqy s SER 16 N 0.47 6.28 0.17 0.00 0.15 -1.26 -4.49 113.70 115.02 1iqy s SER 16 Ca 0.64 0.77 -0.13 0.00 0.70 0.00 0.00 55.95 57.92 1iqy s SER 16 Cb -0.50 -2.18 0.06 0.00 -1.71 0.00 0.00 66.02 61.70 1iqy s SER 16 CO 0.49 -0.48 1.77 0.00 1.20 0.00 0.00 173.24 176.22 1iqy h ALA 17 N 0.42 0.71 -0.98 5.45 0.00 -1.94 -2.25 119.26 120.66 1iqy h ALA 17 Ca -0.48 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.41 1iqy h ALA 17 Cb 1.21 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1iqy h ALA 17 CO 0.62 0.25 0.62 0.78 0.00 0.00 0.00 179.25 181.51 1iqy h GLY 18 N 0.74 1.55 1.71 0.00 0.00 -1.99 -0.42 103.07 104.66 1iqy h GLY 18 Ca 0.19 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 1iqy h GLY 18 CO -0.03 0.24 -0.35 0.83 0.00 0.00 0.00 176.54 177.23 1iqy h GLU 19 N 1.06 0.33 -0.12 4.80 5.08 -1.81 -1.39 114.58 122.54 1iqy h GLU 19 Ca 0.46 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1iqy h GLU 19 Cb 0.32 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1iqy h GLU 19 CO -0.22 0.64 -0.10 0.82 -1.00 0.00 0.00 179.01 179.16 1iqy h ILE 20 N 0.28 1.34 -0.04 3.13 1.08 -0.66 -2.09 117.51 120.56 1iqy h ILE 20 Ca 0.03 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 1iqy h ILE 20 Cb 0.76 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.37 1iqy h ILE 20 CO 0.06 0.35 -0.12 0.28 -0.69 0.00 0.00 178.15 178.03 1iqy h SER 21 N -0.11 -0.35 -0.78 1.72 0.02 -1.08 -1.58 113.55 111.38 1iqy h SER 21 Ca 0.02 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1iqy h SER 21 Cb 0.60 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1iqy h SER 21 CO 0.03 -0.16 0.51 -0.08 -1.14 0.00 0.00 176.83 175.98 1iqy h GLU 22 N -0.18 0.61 -0.62 3.45 4.57 -1.22 0.17 114.58 121.36 1iqy h GLU 22 Ca 0.06 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1iqy h GLU 22 Cb 0.26 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 1iqy h GLU 22 CO -0.14 0.40 0.01 0.28 -1.18 0.00 0.00 179.01 178.38 1iqy h VAL 23 N 0.62 1.27 0.56 0.32 2.07 -0.73 -1.32 116.25 119.04 1iqy h VAL 23 Ca 0.37 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1iqy h VAL 23 Cb 0.59 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1iqy h VAL 23 CO -0.14 0.42 -0.27 -0.61 0.02 0.00 0.00 177.57 176.99 1iqy h GLN 24 N 0.99 -0.72 0.07 1.57 4.15 0.20 -1.20 115.11 120.17 1iqy h GLN 24 Ca 0.18 0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.66 1iqy h GLN 24 Cb 0.54 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.35 1iqy h GLN 24 CO 0.03 -0.47 -0.52 0.78 -1.93 0.00 0.00 178.83 176.72 1iqy h GLY 25 N -0.77 -1.10 -0.20 2.39 0.00 -0.92 0.05 103.07 102.52 1iqy h GLY 25 Ca -0.08 0.63 0.25 0.00 0.00 0.00 0.00 47.33 48.14 1iqy h GLY 25 CO 0.13 -0.25 0.58 -2.22 0.00 0.00 0.00 176.54 174.77 1iqy h ILE 26 N -0.71 0.50 -0.09 2.60 2.04 -1.21 0.84 117.51 121.47 1iqy h ILE 26 Ca 0.01 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1iqy h ILE 26 Cb 0.74 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1iqy h ILE 26 CO -0.31 0.10 -0.13 -0.07 0.00 0.00 0.00 178.15 177.74 1iqy h LEU 27 N 0.54 0.27 0.23 1.44 3.38 -0.13 -2.76 115.31 118.29 1iqy h LEU 27 Ca 0.65 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1iqy h LEU 27 Cb 1.28 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1iqy h LEU 27 CO -0.50 0.74 -0.44 0.03 0.09 0.00 0.00 178.44 178.37 1iqy h ARG 28 N -0.19 -0.69 -0.73 1.13 3.08 0.72 0.19 114.38 117.90 1iqy h ARG 28 Ca 0.01 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.25 1iqy h ARG 28 Cb 0.68 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.75 1iqy h ARG 28 CO 0.03 -0.46 -0.25 1.15 -1.07 0.00 0.00 179.97 179.37 1iqy h THR 29 N -0.72 0.19 0.00 2.04 2.02 -1.00 0.46 112.91 115.91 1iqy h THR 29 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1iqy h THR 29 Cb 0.67 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1iqy h THR 29 CO -0.17 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.72 1iqy n ALA 30 N -3.25 2.32 -0.99 6.16 0.00 -1.04 -4.82 120.51 118.89 1iqy n ALA 30 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1iqy n ALA 30 Cb 0.38 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1iqy n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqy n GLY 31 N 0.37 0.87 0.21 0.00 0.00 0.16 -4.87 105.19 101.92 1iqy n GLY 31 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1iqy n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iqy h LEU 32 N 0.00 0.00 -8.74 0.99 3.38 -0.81 -3.42 115.31 106.70 1iqy h LEU 32 Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1iqy h LEU 32 Cb 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.51 1iqy h LEU 32 CO 0.00 0.26 -0.74 -0.22 0.09 0.00 0.00 178.44 177.83 1iqy s LEU 33 N -6.70 2.87 0.00 1.67 2.96 -0.48 -4.88 118.68 114.11 1iqy s LEU 33 Ca 0.01 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1iqy s LEU 33 Cb 0.09 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1iqy s LEU 33 CO 0.66 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 176.51 1iqy n GLY 34 N 3.24 4.14 0.11 7.98 0.00 -1.26 -4.41 105.19 114.99 1iqy n GLY 34 Ca -0.18 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1iqy n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqy h PRO 35 N 0.00 0.19 -0.57 1.61 0.13 -1.98 -3.37 132.00 128.01 1iqy h PRO 35 Ca 0.00 -0.32 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1iqy h PRO 35 Cb 0.00 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.22 1iqy h PRO 35 CO 0.00 1.15 0.06 0.39 -0.23 0.00 0.00 178.00 179.37 1iqy n GLU 36 N -4.11 4.36 -3.96 0.86 -0.58 -1.26 -4.92 120.64 111.03 1iqy n GLU 36 Ca -0.22 -3.12 -0.35 0.00 -0.42 0.00 0.00 57.16 53.05 1iqy n GLU 36 Cb 0.81 -2.20 -0.11 0.00 -0.57 0.00 0.00 31.44 29.36 1iqy n GLU 36 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1iqy s LYS 37 N -2.84 3.82 -0.06 3.49 -0.14 -1.26 0.10 119.74 122.86 1iqy s LYS 37 Ca 0.53 -0.41 0.05 0.00 -1.36 0.00 0.00 55.97 54.78 1iqy s LYS 37 Cb 0.41 -3.23 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 1iqy s LYS 37 CO 0.14 0.09 -0.22 1.03 -0.76 0.00 0.00 175.35 175.63 1iqy s ARG 38 N 0.86 2.32 -0.69 1.68 1.81 0.57 -4.69 118.95 120.81 1iqy s ARG 38 Ca 0.03 -0.80 -0.26 0.00 -1.72 0.00 0.00 55.73 52.98 1iqy s ARG 38 Cb -0.14 -1.96 0.04 0.00 -0.45 0.00 0.00 34.95 32.44 1iqy s ARG 38 CO 0.02 0.32 1.20 0.42 -0.68 0.00 0.00 175.30 176.59 1iqy s ILE 39 N -0.06 3.89 0.07 1.52 1.01 0.19 0.29 121.20 128.11 1iqy s ILE 39 Ca -0.05 0.38 0.14 0.00 0.00 0.00 0.00 60.65 61.12 1iqy s ILE 39 Cb -0.13 -4.83 0.02 0.00 0.01 0.00 0.00 42.46 37.52 1iqy s ILE 39 CO 0.03 -1.67 1.53 0.00 0.00 0.00 0.00 174.94 174.83 1iqy h ALA 40 N 9.84 0.76 -2.24 9.38 0.00 -1.32 -3.40 119.26 132.28 1iqy h ALA 40 Ca -0.27 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 1iqy h ALA 40 Cb 1.06 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.53 1iqy h ALA 40 CO 1.24 0.73 0.00 -0.47 0.00 0.00 0.00 179.25 180.75 1iqy s TYR 41 N -3.22 -0.70 -0.20 0.00 5.04 -1.16 -4.75 117.35 112.37 1iqy s TYR 41 Ca 0.01 1.68 -0.09 0.00 -2.44 0.00 0.00 57.07 56.23 1iqy s TYR 41 Cb 0.10 0.25 0.08 0.00 0.35 0.00 0.00 41.96 42.74 1iqy s TYR 41 CO 0.74 -0.34 0.45 -1.17 -1.34 0.00 0.00 175.55 173.90 1iqy s LEU 42 N 0.42 -0.45 -0.09 6.97 0.20 -1.26 -0.08 118.68 124.40 1iqy s LEU 42 Ca -0.01 1.02 -0.30 0.00 0.69 0.00 0.00 54.13 55.54 1iqy s LEU 42 Cb -0.04 1.49 0.07 0.00 -0.43 0.00 0.00 46.19 47.27 1iqy s LEU 42 CO -0.01 -0.21 0.69 -0.83 -0.29 0.00 0.00 176.35 175.70 1iqy s GLY 43 N 1.99 -0.57 0.72 7.98 0.00 -0.79 -4.62 107.32 112.03 1iqy s GLY 43 Ca -0.06 1.46 -0.15 0.00 0.00 0.00 0.00 44.72 45.97 1iqy s GLY 43 CO -0.14 1.10 1.17 0.54 0.00 0.00 0.00 173.10 175.78 1iqy s VAL 44 N -0.90 2.64 -0.03 1.40 0.11 -1.26 -1.14 120.40 121.20 1iqy s VAL 44 Ca -0.09 0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1iqy s VAL 44 Cb -0.01 -2.82 -0.04 0.00 -1.53 0.00 0.00 36.38 31.98 1iqy s VAL 44 CO 0.08 -0.18 0.13 -0.76 -3.33 0.00 0.00 175.10 171.04 1iqy s LEU 45 N -5.14 4.17 0.43 2.54 1.02 0.43 -4.78 118.68 117.35 1iqy s LEU 45 Ca 0.71 0.29 -0.21 0.00 0.02 0.00 0.00 54.13 54.94 1iqy s LEU 45 Cb -0.26 -2.34 -0.11 0.00 0.02 0.00 0.00 46.19 43.51 1iqy s LEU 45 CO 0.45 0.30 0.95 -1.81 0.02 0.00 0.00 176.35 176.26 1iqy s ASP 46 N -1.62 6.93 0.76 2.29 1.01 -1.26 -4.65 116.67 120.13 1iqy s ASP 46 Ca 0.22 1.71 -0.16 0.00 0.71 0.00 0.00 52.55 55.03 1iqy s ASP 46 Cb -0.12 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1iqy s ASP 46 CO 0.13 -0.37 0.41 -2.65 0.21 0.00 0.00 175.17 172.91 1iqy n PRO 47 N -0.61 0.18 -0.56 8.23 -0.02 -1.26 -4.89 135.00 136.08 1iqy n PRO 47 Ca 0.07 0.10 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1iqy n PRO 47 Cb 0.54 -1.75 0.11 0.00 -0.02 0.00 0.00 33.50 32.38 1iqy n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iqy n ALA 48 N -2.53 3.81 -1.38 3.55 0.00 -1.26 -4.88 120.51 117.83 1iqy n ALA 48 Ca 0.09 -1.29 -0.13 0.00 0.00 0.00 0.00 53.44 52.11 1iqy n ALA 48 Cb 0.51 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1iqy n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iqy n ARG 49 N -0.16 -1.26 -1.91 0.00 1.74 -1.26 -4.99 116.66 108.81 1iqy n ARG 49 Ca 0.25 0.94 -0.30 0.00 -0.77 0.00 0.00 57.85 57.97 1iqy n ARG 49 Cb 0.99 -5.15 0.17 0.00 -1.02 0.00 0.00 32.46 27.45 1iqy n ARG 49 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1iqy s GLY 50 N -2.64 1.74 0.00 -0.13 0.00 -1.26 -5.09 107.32 99.94 1iqy s GLY 50 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1iqy s GLY 50 CO 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 173.10 172.73 1iqy n ALA 51 N -3.70 0.00 0.29 3.20 0.00 -1.26 -4.66 120.51 114.38 1iqy n ALA 51 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.72 1iqy n ALA 51 Cb 0.60 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.90 1iqy n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1iqy h GLY 52 N 0.00 0.00 0.00 0.00 0.00 -1.99 -3.47 103.07 97.61 1iqy h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iqy h GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1iqy n SER 53 N -3.67 -1.99 -4.44 0.19 7.64 -1.26 -3.61 113.62 106.47 1iqy n SER 53 Ca -0.02 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.42 1iqy n SER 53 Cb 0.16 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 1iqy n SER 53 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1iqy s GLU 54 N 0.00 3.26 0.00 1.43 2.12 -1.26 -4.90 118.70 119.35 1iqy s GLU 54 Ca 0.00 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.11 1iqy s GLU 54 Cb 0.00 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.93 1iqy s GLU 54 CO 0.00 -1.76 0.00 0.00 -0.54 0.00 0.00 175.26 172.96 1iqy n ALA 55 N 7.11 0.00 -3.24 6.30 0.00 -1.24 -3.23 120.51 126.21 1iqy n ALA 55 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.52 1iqy n ALA 55 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1iqy n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iqy s GLU 56 N 0.00 0.50 -0.59 0.00 2.12 -1.26 -5.05 118.70 114.41 1iqy s GLU 56 Ca 0.00 0.96 0.04 0.00 0.36 0.00 0.00 54.97 56.33 1iqy s GLU 56 Cb 0.00 0.55 0.15 0.00 0.26 0.00 0.00 34.13 35.09 1iqy s GLU 56 CO 0.00 -0.46 0.37 0.34 -0.54 0.00 0.00 175.26 174.97 1iqy s ASP 57 N 2.86 4.29 -0.47 -1.70 2.15 -1.20 -4.91 116.67 117.69 1iqy s ASP 57 Ca 0.12 -3.37 -0.28 0.00 0.43 0.00 0.00 52.55 49.45 1iqy s ASP 57 Cb -0.13 -1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 40.99 1iqy s ASP 57 CO -0.19 -0.16 1.75 -0.13 -0.17 0.00 0.00 175.17 176.27 1iqy s ARG 58 N -0.74 3.08 0.03 4.34 1.81 -1.26 -4.98 118.95 121.23 1iqy s ARG 58 Ca 0.22 0.98 0.03 0.00 -1.72 0.00 0.00 55.73 55.24 1iqy s ARG 58 Cb -0.14 -4.25 -0.04 0.00 -0.45 0.00 0.00 34.95 30.08 1iqy s ARG 58 CO -0.09 -2.17 0.00 1.03 -0.68 0.00 0.00 175.30 173.39 1iqy s ARG 59 N 6.10 2.71 0.04 3.54 0.52 -1.26 -1.12 118.95 129.48 1iqy s ARG 59 Ca 0.71 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 55.29 1iqy s ARG 59 Cb -0.17 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 1iqy s ARG 59 CO 0.28 0.59 -0.19 -0.06 0.02 0.00 0.00 175.30 175.94 1iqy s PHE 60 N -1.17 1.67 -0.11 -0.53 0.40 0.30 -0.43 117.98 118.11 1iqy s PHE 60 Ca 0.22 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1iqy s PHE 60 Cb -0.12 -0.99 -0.03 0.00 0.51 0.00 0.00 43.02 42.40 1iqy s PHE 60 CO 0.13 0.08 -0.08 0.50 0.70 0.00 0.00 175.22 176.55 1iqy s ARG 61 N -1.15 3.20 0.01 0.44 3.52 -0.29 -0.01 118.95 124.66 1iqy s ARG 61 Ca 0.06 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 1iqy s ARG 61 Cb -0.09 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1iqy s ARG 61 CO 0.02 0.41 -0.11 0.08 -0.81 0.00 0.00 175.30 174.89 1iqy s VAL 62 N -0.13 0.87 -0.21 7.11 1.01 0.10 -1.89 120.40 127.26 1iqy s VAL 62 Ca 0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1iqy s VAL 62 Cb -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1iqy s VAL 62 CO 0.03 0.08 -0.03 -0.36 0.00 0.00 0.00 175.10 174.82 1iqy s PHE 63 N -0.57 2.98 -0.19 5.22 0.08 0.88 -1.37 117.98 125.01 1iqy s PHE 63 Ca 0.02 -0.72 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 1iqy s PHE 63 Cb -0.06 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 1iqy s PHE 63 CO 0.00 -0.41 -0.14 0.42 -0.10 0.00 0.00 175.22 175.00 1iqy s ILE 64 N 1.25 2.62 0.17 0.64 1.01 -0.11 -0.87 121.20 125.91 1iqy s ILE 64 Ca 0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1iqy s ILE 64 Cb -0.14 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 1iqy s ILE 64 CO -0.00 0.49 0.43 -2.28 0.00 0.00 0.00 174.94 173.58 1iqy s HIS 65 N 1.28 3.46 -0.26 3.97 5.65 0.14 -1.40 115.29 128.15 1iqy s HIS 65 Ca 0.04 0.64 0.01 0.00 0.25 0.00 0.00 55.06 55.99 1iqy s HIS 65 Cb -0.14 -2.07 0.04 0.00 -1.18 0.00 0.00 32.58 29.23 1iqy s HIS 65 CO -0.08 0.38 -0.09 0.34 -0.65 0.00 0.00 174.74 174.65 1iqy s ASP 66 N -2.45 4.35 0.41 9.88 -1.08 -1.26 -0.32 116.67 126.21 1iqy s ASP 66 Ca 0.43 -1.16 0.10 0.00 -0.52 0.00 0.00 52.55 51.40 1iqy s ASP 66 Cb -0.12 -1.60 0.92 0.00 -1.46 0.00 0.00 42.92 40.66 1iqy s ASP 66 CO 0.24 -0.17 2.00 0.58 0.52 0.00 0.00 175.17 178.35 1iqy h VAL 67 N 6.45 0.99 -0.69 1.11 2.07 0.38 -2.57 116.25 123.99 1iqy h VAL 67 Ca -0.26 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1iqy h VAL 67 Cb 1.07 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1iqy h VAL 67 CO 0.52 0.10 0.32 0.28 0.02 0.00 0.00 177.57 178.81 1iqy h SER 68 N 0.52 0.90 0.00 0.57 0.02 -1.95 -3.46 113.55 110.15 1iqy h SER 68 Ca 0.24 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1iqy h SER 68 Cb 0.29 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1iqy h SER 68 CO -0.07 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 1iqy n GLY 69 N -1.06 0.50 3.73 -3.77 0.00 -0.97 -4.94 105.19 98.67 1iqy n GLY 69 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1iqy n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqy s ALA 70 N -0.73 2.09 0.33 4.61 0.00 -1.26 -4.94 121.76 121.86 1iqy s ALA 70 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.32 1iqy s ALA 70 Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1iqy s ALA 70 CO 0.00 -1.91 1.55 0.54 0.00 0.00 0.00 175.76 175.94 1iqy n ARG 71 N -3.08 2.69 -1.81 0.00 1.74 -1.26 -4.21 116.66 110.73 1iqy n ARG 71 Ca 0.12 0.95 -0.30 0.00 -0.77 0.00 0.00 57.85 57.85 1iqy n ARG 71 Cb 0.51 -2.71 0.05 0.00 -1.02 0.00 0.00 32.46 29.30 1iqy n ARG 71 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1iqy s PRO 72 N -1.25 2.72 0.02 5.56 0.04 -1.26 -4.72 135.00 136.11 1iqy s PRO 72 Ca 0.59 0.51 0.02 0.00 0.04 0.00 0.00 61.00 62.16 1iqy s PRO 72 Cb -0.49 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1iqy s PRO 72 CO 0.56 -1.14 -0.07 -0.65 0.04 0.00 0.00 177.00 175.74 1iqy s GLN 73 N -5.31 0.49 -0.26 4.56 -0.21 -0.49 -0.48 119.66 117.96 1iqy s GLN 73 Ca 0.59 -0.52 -0.09 0.00 0.02 0.00 0.00 55.36 55.36 1iqy s GLN 73 Cb -0.12 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.50 1iqy s GLN 73 CO 0.52 0.08 0.12 -2.00 -2.12 0.00 0.00 175.29 171.89 1iqy s GLU 74 N -0.95 3.75 -0.02 2.91 2.12 -0.44 -0.93 118.70 125.13 1iqy s GLU 74 Ca -0.05 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.89 1iqy s GLU 74 Cb -0.07 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.86 1iqy s GLU 74 CO 0.00 -0.19 -0.11 0.08 -0.54 0.00 0.00 175.26 174.49 1iqy s VAL 75 N 1.67 0.94 -0.20 3.70 1.01 -0.47 -1.37 120.40 125.68 1iqy s VAL 75 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1iqy s VAL 75 Cb -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1iqy s VAL 75 CO 0.06 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 1iqy s THR 76 N -0.01 2.95 0.15 3.92 2.01 -0.99 0.01 115.64 123.67 1iqy s THR 76 Ca -0.00 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.40 1iqy s THR 76 Cb -0.07 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1iqy s THR 76 CO 0.00 0.46 0.17 -0.69 -0.69 0.00 0.00 174.62 173.88 1iqy s VAL 77 N 1.37 4.72 -0.25 3.82 1.01 0.98 -0.31 120.40 131.74 1iqy s VAL 77 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1iqy s VAL 77 Cb -0.14 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1iqy s VAL 77 CO -0.06 -0.09 -0.09 -0.55 0.00 0.00 0.00 175.10 174.32 1iqy s SER 78 N -3.08 4.30 0.09 3.32 0.15 0.03 -0.54 113.70 117.97 1iqy s SER 78 Ca 0.32 -1.11 -0.03 0.00 0.70 0.00 0.00 55.95 55.82 1iqy s SER 78 Cb -0.10 -1.60 -0.25 0.00 -1.71 0.00 0.00 66.02 62.35 1iqy s SER 78 CO 0.25 -0.16 1.18 0.58 1.20 0.00 0.00 173.24 176.29 1iqy h VAL 79 N 6.41 1.51 -0.71 4.45 2.07 -1.40 0.16 116.25 128.74 1iqy h VAL 79 Ca -0.27 -3.01 -0.04 0.00 0.82 0.00 0.00 66.70 64.20 1iqy h VAL 79 Cb 1.08 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 1iqy h VAL 79 CO 0.53 0.88 0.29 0.74 0.02 0.00 0.00 177.57 180.04 1iqy h THR 80 N 0.08 1.24 0.00 2.57 2.02 -1.91 -3.03 112.91 113.88 1iqy h THR 80 Ca -0.12 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1iqy h THR 80 Cb 1.90 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1iqy h THR 80 CO 0.19 0.30 -1.65 0.59 0.37 0.00 0.00 175.52 175.32 1iqy n ASN 81 N -4.30 0.37 -0.46 4.18 3.02 -1.24 -4.99 115.26 111.83 1iqy n ASN 81 Ca 0.06 0.15 -0.04 0.00 -0.03 0.00 0.00 54.58 54.72 1iqy n ASN 81 Cb 0.17 1.22 -0.00 0.00 -0.61 0.00 0.00 39.78 40.56 1iqy n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iqy n GLY 82 N 1.29 0.21 3.65 7.41 0.00 0.43 -5.04 105.19 113.13 1iqy n GLY 82 Ca -0.06 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1iqy n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iqy s THR 83 N -2.20 2.37 -0.33 2.61 -4.23 -0.39 -4.93 115.64 108.52 1iqy s THR 83 Ca 0.00 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.49 1iqy s THR 83 Cb -0.00 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.96 1iqy s THR 83 CO 0.00 -0.10 0.16 -0.69 -0.54 0.00 0.00 174.62 173.45 1iqy s VAL 84 N -2.59 4.50 0.03 2.29 1.01 -1.26 -0.79 120.40 123.59 1iqy s VAL 84 Ca 0.36 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1iqy s VAL 84 Cb 0.03 -3.38 -0.33 0.00 0.00 0.00 0.00 36.38 32.71 1iqy s VAL 84 CO 0.20 -0.04 0.99 0.40 0.00 0.00 0.00 175.10 176.65 1iqy h ILE 85 N 5.77 1.29 -3.30 2.22 2.04 -0.98 -3.48 117.51 121.07 1iqy h ILE 85 Ca -0.30 -2.79 -0.07 0.00 1.00 0.00 0.00 64.86 62.71 1iqy h ILE 85 Cb 1.13 2.97 -0.15 0.00 -0.74 0.00 0.00 36.82 40.03 1iqy h ILE 85 CO 0.63 0.84 -0.13 -0.94 0.00 0.00 0.00 178.15 178.55 1iqy s SER 86 N -7.39 -0.20 -0.49 1.72 1.04 -1.08 -4.96 113.70 102.33 1iqy s SER 86 Ca -0.08 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.19 1iqy s SER 86 Cb 0.05 0.43 0.19 0.00 0.10 0.00 0.00 66.02 66.79 1iqy s SER 86 CO 0.91 -0.75 0.70 0.00 0.98 0.00 0.00 173.24 175.09 1iqy s ALA 87 N -3.21 -2.11 0.17 5.32 0.00 -1.26 -2.36 121.76 118.31 1iqy s ALA 87 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 1iqy s ALA 87 Cb 0.01 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1iqy s ALA 87 CO -0.08 -2.23 0.48 0.08 0.00 0.00 0.00 175.76 174.01 1iqy s VAL 88 N 1.08 5.00 -0.01 0.00 1.01 -0.47 -4.92 120.40 122.10 1iqy s VAL 88 Ca 0.27 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1iqy s VAL 88 Cb -0.01 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1iqy s VAL 88 CO -0.06 0.08 0.46 -1.61 0.00 0.00 0.00 175.10 173.97 1iqy s GLU 89 N -2.45 4.06 -0.16 2.72 2.02 -1.26 -1.33 118.70 122.30 1iqy s GLU 89 Ca 0.41 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.83 1iqy s GLU 89 Cb -0.13 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1iqy s GLU 89 CO 0.21 0.58 0.06 -0.51 0.02 0.00 0.00 175.26 175.62 1iqy s LEU 90 N -0.75 3.86 -0.86 1.80 1.43 0.36 -4.93 118.68 119.59 1iqy s LEU 90 Ca 0.25 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 1iqy s LEU 90 Cb -0.17 -1.95 0.18 0.00 0.03 0.00 0.00 46.19 44.28 1iqy s LEU 90 CO 0.14 0.24 0.90 -0.62 0.23 0.00 0.00 176.35 177.24 1iqy s ASP 91 N -0.05 6.70 0.43 2.29 -1.08 -1.26 -4.34 116.67 119.35 1iqy s ASP 91 Ca 0.06 -2.42 0.17 0.00 -0.52 0.00 0.00 52.55 49.85 1iqy s ASP 91 Cb -0.12 -2.28 1.08 0.00 -1.46 0.00 0.00 42.92 40.14 1iqy s ASP 91 CO 0.01 -0.77 1.91 0.71 0.52 0.00 0.00 175.17 177.55 1iqy h THR 92 N 5.20 0.76 0.00 1.71 1.35 -1.93 0.27 112.91 120.28 1iqy h THR 92 Ca 0.11 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 1iqy h THR 92 Cb 1.04 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1iqy h THR 92 CO 0.89 0.07 -0.10 0.00 -0.25 0.00 0.00 175.52 176.13 1iqy h ALA 93 N 1.64 1.47 0.00 6.62 0.00 -1.87 0.68 119.26 127.81 1iqy h ALA 93 Ca 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1iqy h ALA 93 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1iqy h ALA 93 CO -0.12 0.12 -0.71 0.00 0.00 0.00 0.00 179.25 178.54 1iqy n ALA 94 N -2.36 0.56 1.07 0.00 0.00 0.73 -4.58 120.51 115.94 1iqy n ALA 94 Ca -0.02 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 53.03 1iqy n ALA 94 Cb 0.19 -0.05 0.34 0.00 0.00 0.00 0.00 19.45 19.94 1iqy n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iqy n THR 95 N -4.57 0.25 0.00 0.00 -2.24 0.10 -4.86 114.28 102.96 1iqy n THR 95 Ca -0.12 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1iqy n THR 95 Cb 0.36 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1iqy n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqy n GLY 96 N 1.20 0.02 3.83 3.38 0.00 0.24 -4.39 105.19 109.46 1iqy n GLY 96 Ca 0.17 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1iqy n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqy s GLU 97 N -3.24 1.97 0.66 1.61 0.41 0.44 -4.40 118.70 116.15 1iqy s GLU 97 Ca 0.00 0.42 -0.09 0.00 -0.41 0.00 0.00 54.97 54.89 1iqy s GLU 97 Cb 0.00 -1.92 0.01 0.00 -1.78 0.00 0.00 34.13 30.44 1iqy s GLU 97 CO 0.00 -1.65 1.02 -0.51 -0.49 0.00 0.00 175.26 173.63 1iqy s LEU 98 N -5.73 3.04 0.34 1.80 1.02 -1.26 -3.97 118.68 113.92 1iqy s LEU 98 Ca 0.61 0.98 -0.28 0.00 0.02 0.00 0.00 54.13 55.46 1iqy s LEU 98 Cb -0.13 -3.79 -0.12 0.00 0.02 0.00 0.00 46.19 42.16 1iqy s LEU 98 CO 0.53 -1.22 1.29 -2.65 0.02 0.00 0.00 176.35 174.32 1iqy n PRO 99 N -2.84 2.14 -1.72 1.29 -0.02 -1.26 -4.70 135.00 127.88 1iqy n PRO 99 Ca 0.06 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1iqy n PRO 99 Cb 0.57 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1iqy n PRO 99 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iqy n VAL 100 N 0.33 0.28 -2.89 -1.45 0.31 -0.20 -4.91 118.33 109.80 1iqy n VAL 100 Ca 0.05 -0.07 -0.40 0.00 -0.01 0.00 0.00 64.34 63.91 1iqy n VAL 100 Cb 0.36 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.26 1iqy n VAL 100 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iqy s LEU 101 N 0.71 4.60 0.30 7.52 1.43 -1.26 -4.82 118.68 127.15 1iqy s LEU 101 Ca 0.72 1.74 0.03 0.00 -1.03 0.00 0.00 54.13 55.59 1iqy s LEU 101 Cb -0.51 -3.41 0.63 0.00 0.03 0.00 0.00 46.19 42.94 1iqy s LEU 101 CO 0.37 0.16 1.83 -0.08 0.23 0.00 0.00 176.35 178.86 1iqy h GLU 102 N 4.46 0.88 0.00 1.70 4.22 -1.95 0.10 114.58 123.99 1iqy h GLU 102 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1iqy h GLU 102 Cb 1.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1iqy h GLU 102 CO 0.67 0.58 0.00 -0.85 -2.18 0.00 0.00 179.01 177.23 1iqy n GLU 103 N -4.63 0.25 0.00 1.92 0.28 -1.26 -1.90 120.64 115.30 1iqy n GLU 103 Ca 0.19 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.44 1iqy n GLU 103 Cb 0.41 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.96 1iqy n GLU 103 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iqy n GLU 104 N -1.23 1.42 0.05 3.44 1.02 0.02 -4.39 120.64 120.97 1iqy n GLU 104 Ca 0.07 -1.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.02 1iqy n GLU 104 Cb 0.10 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 1iqy n GLU 104 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1iqy h PHE 105 N 2.61 -0.07 -0.65 -0.32 0.04 -1.47 -3.15 116.94 113.93 1iqy h PHE 105 Ca 0.00 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.68 1iqy h PHE 105 Cb 0.71 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 1iqy h PHE 105 CO 0.00 0.10 0.08 0.93 -0.60 0.00 0.00 178.31 178.81 1iqy h GLU 106 N -0.23 1.10 -0.98 1.51 3.07 -1.79 -3.27 114.58 113.98 1iqy h GLU 106 Ca -0.01 -0.31 0.31 0.00 -0.50 0.00 0.00 59.36 58.86 1iqy h GLU 106 Cb 0.20 -0.12 -0.18 0.00 -0.84 0.00 0.00 28.75 27.81 1iqy h GLU 106 CO 0.01 1.02 0.21 0.28 -1.40 0.00 0.00 179.01 179.14 1iqy h VAL 107 N 1.01 0.04 -0.36 3.13 2.07 -1.76 0.40 116.25 120.78 1iqy h VAL 107 Ca 0.19 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 1iqy h VAL 107 Cb 0.48 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1iqy h VAL 107 CO 0.02 0.01 0.07 0.58 0.02 0.00 0.00 177.57 178.26 1iqy h VAL 108 N 0.03 1.17 0.01 2.57 2.07 -1.67 -1.19 116.25 119.25 1iqy h VAL 108 Ca 0.68 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1iqy h VAL 108 Cb 1.54 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1iqy h VAL 108 CO -0.85 0.23 -0.00 -0.08 0.02 0.00 0.00 177.57 176.88 1iqy h GLU 109 N 0.52 -0.01 -0.38 1.57 4.81 -1.14 -2.95 114.58 116.99 1iqy h GLU 109 Ca 0.12 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1iqy h GLU 109 Cb 0.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1iqy h GLU 109 CO -0.00 0.66 0.00 1.96 -0.73 0.00 0.00 179.01 180.91 1iqy h GLN 110 N -0.71 0.10 -0.63 1.92 4.20 -1.29 -1.31 115.11 117.41 1iqy h GLN 110 Ca -0.00 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1iqy h GLN 110 Cb 0.68 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1iqy h GLN 110 CO 0.00 0.07 0.08 -0.07 -0.67 0.00 0.00 178.83 178.24 1iqy h LEU 111 N 0.11 1.01 -1.23 1.46 3.38 -1.33 -3.02 115.31 115.68 1iqy h LEU 111 Ca 0.19 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1iqy h LEU 111 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1iqy h LEU 111 CO -0.31 1.03 -0.38 -0.07 0.09 0.00 0.00 178.44 178.80 1iqy h LEU 112 N 0.96 0.00 -0.57 1.67 3.38 -1.28 -3.15 115.31 116.32 1iqy h LEU 112 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1iqy h LEU 112 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1iqy h LEU 112 CO 0.02 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1iqy n ALA 113 N -2.45 1.09 -0.14 1.53 0.00 -0.53 -1.39 120.51 118.62 1iqy n ALA 113 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1iqy n ALA 113 Cb 0.42 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1iqy n ALA 113 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iqy n THR 114 N -1.82 0.41 -2.89 0.00 -2.24 -1.19 -4.94 114.28 101.60 1iqy n THR 114 Ca -0.00 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.73 1iqy n THR 114 Cb 0.04 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 1iqy n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqy s ASP 115 N -0.41 6.93 0.45 3.42 -1.08 -0.49 -4.92 116.67 120.58 1iqy s ASP 115 Ca 0.00 1.15 0.11 0.00 -0.52 0.00 0.00 52.55 53.29 1iqy s ASP 115 Cb 0.00 -2.45 1.03 0.00 -1.46 0.00 0.00 42.92 40.04 1iqy s ASP 115 CO 0.00 -0.43 2.08 -0.33 0.52 0.00 0.00 175.17 177.02 1iqy h GLU 116 N 7.41 0.32 -0.35 4.34 5.08 -1.94 -0.29 114.58 129.15 1iqy h GLU 116 Ca -0.28 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1iqy h GLU 116 Cb 1.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1iqy h GLU 116 CO 0.85 0.21 -0.04 0.00 -1.00 0.00 0.00 179.01 179.03 1iqy h ARG 117 N 0.33 0.64 0.46 2.33 3.08 -1.93 -0.35 114.38 118.94 1iqy h ARG 117 Ca 0.11 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1iqy h ARG 117 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1iqy h ARG 117 CO -0.02 0.78 -0.22 2.35 -1.07 0.00 0.00 179.97 181.79 1iqy h TRP 118 N 0.44 -0.58 -0.81 3.04 2.91 -1.66 -1.79 115.95 117.50 1iqy h TRP 118 Ca 0.09 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.25 1iqy h TRP 118 Cb 0.52 0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.30 1iqy h TRP 118 CO 0.04 -0.32 0.53 -0.07 -1.03 0.00 0.00 178.44 177.60 1iqy h LEU 119 N -0.69 0.49 -0.19 0.65 3.38 -1.05 0.12 115.31 118.02 1iqy h LEU 119 Ca -0.06 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1iqy h LEU 119 Cb 0.51 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1iqy h LEU 119 CO 0.10 0.25 -0.10 0.50 0.09 0.00 0.00 178.44 179.28 1iqy h LYS 120 N 0.52 0.40 -0.65 1.13 3.64 -0.88 0.28 116.57 121.01 1iqy h LYS 120 Ca 0.40 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1iqy h LYS 120 Cb 0.81 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 1iqy h LYS 120 CO -0.15 0.71 0.39 0.00 -2.27 0.00 0.00 179.45 178.12 1iqy h ALA 121 N 0.69 0.85 -0.45 5.00 0.00 -0.10 -0.04 119.26 125.21 1iqy h ALA 121 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1iqy h ALA 121 Cb 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1iqy h ALA 121 CO 0.03 0.11 -0.16 -0.07 0.00 0.00 0.00 179.25 179.16 1iqy h LEU 122 N 0.75 0.87 -1.00 0.00 3.38 -0.72 -2.94 115.31 115.65 1iqy h LEU 122 Ca 0.27 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1iqy h LEU 122 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1iqy h LEU 122 CO -0.13 1.03 -0.20 0.00 0.09 0.00 0.00 178.44 179.23 1iqy h ALA 123 N 1.05 1.16 0.00 1.53 0.00 -0.21 0.19 119.26 122.97 1iqy h ALA 123 Ca 0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1iqy h ALA 123 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1iqy h ALA 123 CO 0.05 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.65 1iqy h ALA 124 N 1.35 1.22 -0.03 0.00 0.00 -0.85 -2.37 119.26 118.57 1iqy h ALA 124 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1iqy h ALA 124 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1iqy h ALA 124 CO 0.04 0.24 -0.06 0.54 0.00 0.00 0.00 179.25 180.01 1iqy n ARG 125 N -3.63 2.08 -3.11 0.00 1.74 -0.74 -4.95 116.66 108.05 1iqy n ARG 125 Ca -0.01 -1.76 -0.20 0.00 -0.77 0.00 0.00 57.85 55.11 1iqy n ARG 125 Cb 0.32 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.36 1iqy n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1iqy n ASN 126 N 1.13 -5.61 -4.64 0.55 3.02 -0.16 -4.98 115.26 104.57 1iqy n ASN 126 Ca 0.13 -0.33 -0.36 0.00 -0.03 0.00 0.00 54.58 53.99 1iqy n ASN 126 Cb 0.56 -4.37 -0.10 0.00 -0.61 0.00 0.00 39.78 35.27 1iqy n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1iqy s LEU 127 N -6.04 4.03 -0.26 3.41 1.43 0.48 -5.00 118.68 116.73 1iqy s LEU 127 Ca 0.35 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 1iqy s LEU 127 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1iqy s LEU 127 CO 0.44 0.07 1.61 -0.62 0.23 0.00 0.00 176.35 178.08 1iqy s ASP 128 N 1.02 6.32 0.53 2.29 2.15 -1.26 -4.45 116.67 123.26 1iqy s ASP 128 Ca 0.07 1.48 0.33 0.00 0.43 0.00 0.00 52.55 54.86 1iqy s ASP 128 Cb -0.13 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.43 1iqy s ASP 128 CO 0.04 -1.33 1.85 1.62 -0.17 0.00 0.00 175.17 177.17 1iqy h VAL 129 N 6.27 0.49 0.00 1.11 3.04 -1.95 0.42 116.25 125.63 1iqy h VAL 129 Ca -0.33 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1iqy h VAL 129 Cb 1.15 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1iqy h VAL 129 CO 1.01 0.01 0.00 -1.54 -1.01 0.00 0.00 177.57 176.04 1iqy n SER 130 N -4.26 0.00 -0.12 3.17 3.41 -1.26 -2.37 113.62 112.19 1iqy n SER 130 Ca 0.22 -0.48 0.03 0.00 -0.26 0.00 0.00 58.87 58.38 1iqy n SER 130 Cb 1.07 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.92 1iqy n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iqy n LYS 131 N -1.09 2.84 -3.08 4.33 5.02 0.15 -4.96 118.16 121.36 1iqy n LYS 131 Ca 0.15 -0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 1iqy n LYS 131 Cb 0.11 -0.94 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 1iqy n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1iqy s VAL 132 N -1.19 4.78 0.29 -0.18 1.01 -1.00 -0.65 120.40 123.46 1iqy s VAL 132 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1iqy s VAL 132 Cb 0.05 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1iqy s VAL 132 CO 0.19 -0.71 0.82 -0.13 0.00 0.00 0.00 175.10 175.26 1iqy s ARG 133 N 2.93 4.31 -0.11 2.72 1.81 0.81 -4.87 118.95 126.54 1iqy s ARG 133 Ca 0.22 1.00 0.01 0.00 -1.72 0.00 0.00 55.73 55.25 1iqy s ARG 133 Cb -0.15 -2.70 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 1iqy s ARG 133 CO 0.18 0.27 -0.14 0.08 -0.68 0.00 0.00 175.30 175.01 1iqy s VAL 134 N -1.70 1.43 -0.26 3.52 1.01 -1.26 -0.69 120.40 122.45 1iqy s VAL 134 Ca 0.49 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.62 1iqy s VAL 134 Cb -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1iqy s VAL 134 CO 0.20 0.43 0.91 0.00 0.00 0.00 0.00 175.10 176.64 1iqy s ALA 135 N 1.10 3.61 -0.70 5.51 0.00 -0.32 -4.67 121.76 126.28 1iqy s ALA 135 Ca -0.05 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 1iqy s ALA 135 Cb -0.14 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1iqy s ALA 135 CO -0.03 -1.09 1.25 -1.25 0.00 0.00 0.00 175.76 174.64 1iqy s PRO 136 N 3.07 3.26 0.18 0.00 0.04 -1.26 -3.10 135.00 137.19 1iqy s PRO 136 Ca 0.38 -0.14 0.08 0.00 0.04 0.00 0.00 61.00 61.36 1iqy s PRO 136 Cb -0.15 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1iqy s PRO 136 CO 0.09 -2.04 -0.02 -0.51 0.04 0.00 0.00 177.00 174.56 1iqy s LEU 137 N 5.53 3.23 0.66 -3.56 1.43 -0.18 -4.94 118.68 120.85 1iqy s LEU 137 Ca 0.37 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 1iqy s LEU 137 Cb -0.08 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1iqy s LEU 137 CO 0.17 0.09 1.19 -0.94 0.23 0.00 0.00 176.35 177.10 1iqy s SER 138 N -2.93 4.79 -0.11 2.29 1.04 -1.26 -0.68 113.70 116.84 1iqy s SER 138 Ca 0.27 2.31 0.20 0.00 0.48 0.00 0.00 55.95 59.21 1iqy s SER 138 Cb -0.09 -2.59 -0.29 0.00 0.10 0.00 0.00 66.02 63.15 1iqy s SER 138 CO 0.18 -1.86 0.28 0.00 0.98 0.00 0.00 173.24 172.82 1iqy n ALA 139 N -2.16 2.13 -0.49 5.32 0.00 -1.26 -4.51 120.51 119.54 1iqy n ALA 139 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1iqy n ALA 139 Cb 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1iqy n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqy n GLY 140 N 1.51 -0.09 2.69 0.00 0.00 -1.26 -4.68 105.19 103.36 1iqy n GLY 140 Ca -0.19 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1iqy n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqy s VAL 141 N 0.00 0.29 0.00 1.61 1.01 -1.26 -4.49 120.40 117.57 1iqy s VAL 141 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1iqy s VAL 141 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1iqy s VAL 141 CO 0.00 -0.24 0.00 0.49 0.00 0.00 0.00 175.10 175.35 1iqy n PHE 142 N 5.14 0.00 0.27 5.22 3.72 -1.26 -4.91 117.46 125.63 1iqy n PHE 142 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.33 1iqy n PHE 142 Cb 0.48 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.07 1iqy n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1iqy n GLU 143 N 0.00 0.14 -2.95 -1.08 0.00 -1.26 -4.62 120.64 110.86 1iqy n GLU 143 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.72 1iqy n GLU 143 Cb 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 31.44 30.21 1iqy n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1iqy s TYR 144 N -2.00 3.23 0.53 -1.84 2.02 -1.26 -4.88 117.35 113.16 1iqy s TYR 144 Ca 0.03 -1.56 0.28 0.00 -0.37 0.00 0.00 57.07 55.44 1iqy s TYR 144 Cb 0.01 -4.26 1.43 0.00 -0.40 0.00 0.00 41.96 38.74 1iqy s TYR 144 CO 0.02 -1.44 1.95 0.00 -1.57 0.00 0.00 175.55 174.51 1iqy h ALA 145 N 8.47 2.64 0.00 3.71 0.00 -2.01 -0.39 119.26 131.69 1iqy h ALA 145 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iqy h ALA 145 Cb 1.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1iqy h ALA 145 CO 1.11 -0.84 0.00 -0.85 0.00 0.00 0.00 179.25 178.67 1iqy n GLU 146 N -4.33 0.09 0.10 0.00 0.00 -1.26 -3.25 120.64 111.98 1iqy n GLU 146 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 57.16 57.50 1iqy n GLU 146 Cb 0.75 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.69 1iqy n GLU 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1iqy h GLU 147 N 0.00 0.00 -6.32 3.44 5.08 -1.43 -3.44 114.58 111.91 1iqy h GLU 147 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1iqy h GLU 147 Cb 0.28 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.55 1iqy h GLU 147 CO 0.00 0.21 1.24 1.03 -1.00 0.00 0.00 179.01 180.50 1iqy s ARG 148 N -3.09 4.06 0.00 2.33 0.52 -1.20 -0.98 118.95 120.58 1iqy s ARG 148 Ca 0.00 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1iqy s ARG 148 Cb 0.08 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 31.39 1iqy s ARG 148 CO 0.78 -1.04 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1iqy n GLY 149 N 4.61 3.30 3.87 -3.53 0.00 -1.26 -4.93 105.19 107.25 1iqy n GLY 149 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1iqy n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iqy s ARG 150 N -0.63 3.76 -0.93 1.61 1.81 -0.16 -4.80 118.95 119.61 1iqy s ARG 150 Ca 0.00 0.18 -0.16 0.00 -1.72 0.00 0.00 55.73 54.03 1iqy s ARG 150 Cb 0.00 -2.93 0.18 0.00 -0.45 0.00 0.00 34.95 31.74 1iqy s ARG 150 CO 0.00 0.51 1.03 0.50 -0.68 0.00 0.00 175.30 176.66 1iqy s ARG 151 N -2.12 3.69 0.23 3.54 3.52 -1.26 -4.96 118.95 121.59 1iqy s ARG 151 Ca 0.36 -2.18 -0.09 0.00 -0.13 0.00 0.00 55.73 53.69 1iqy s ARG 151 Cb -0.13 -4.74 -0.07 0.00 -1.56 0.00 0.00 34.95 28.45 1iqy s ARG 151 CO 0.19 -1.57 0.53 0.42 -0.81 0.00 0.00 175.30 174.07 1iqy s ILE 152 N 1.43 4.96 -0.01 4.11 -1.09 -1.26 -2.05 121.20 127.29 1iqy s ILE 152 Ca 0.28 0.39 0.01 0.00 -2.23 0.00 0.00 60.65 59.10 1iqy s ILE 152 Cb -0.07 -3.63 0.01 0.00 -1.58 0.00 0.00 42.46 37.19 1iqy s ILE 152 CO -0.08 -0.09 -0.01 -0.76 -1.23 0.00 0.00 174.94 172.77 1iqy s LEU 153 N -2.88 1.79 0.22 2.97 1.43 -0.30 -4.37 118.68 117.54 1iqy s LEU 153 Ca 0.46 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1iqy s LEU 153 Cb -0.11 -0.12 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 1iqy s LEU 153 CO 0.22 -0.01 0.25 -0.13 0.23 0.00 0.00 176.35 176.92 1iqy s ARG 154 N 0.22 3.16 -0.01 1.70 0.52 0.14 -0.50 118.95 124.18 1iqy s ARG 154 Ca -0.02 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 1iqy s ARG 154 Cb -0.04 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.69 1iqy s ARG 154 CO -0.01 0.44 -0.09 0.20 0.02 0.00 0.00 175.30 175.87 1iqy s GLY 155 N -3.69 0.43 -0.04 -3.53 0.00 0.11 -1.01 107.32 99.60 1iqy s GLY 155 Ca 0.33 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.71 1iqy s GLY 155 CO 0.26 -0.31 -0.14 1.08 0.00 0.00 0.00 173.10 173.99 1iqy s LEU 156 N -0.21 1.83 0.07 0.66 1.43 -1.18 -2.32 118.68 118.97 1iqy s LEU 156 Ca 0.03 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1iqy s LEU 156 Cb -0.03 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 1iqy s LEU 156 CO -0.00 0.11 0.46 0.00 0.23 0.00 0.00 176.35 177.14 1iqy s ALA 157 N 0.18 3.66 -0.03 4.21 0.00 -1.26 -1.18 121.76 127.35 1iqy s ALA 157 Ca -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 1iqy s ALA 157 Cb -0.11 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.62 1iqy s ALA 157 CO 0.02 0.49 0.02 -0.06 0.00 0.00 0.00 175.76 176.23 1iqy s PHE 158 N -1.29 0.20 -0.06 0.00 0.08 0.14 -1.58 117.98 115.47 1iqy s PHE 158 Ca 0.31 0.07 -0.30 0.00 0.12 0.00 0.00 56.93 57.14 1iqy s PHE 158 Cb -0.16 -0.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.88 1iqy s PHE 158 CO 0.17 -0.14 1.03 0.08 -0.10 0.00 0.00 175.22 176.26 1iqy s VAL 159 N 1.29 4.72 -0.37 -0.44 1.01 -0.51 -0.13 120.40 125.97 1iqy s VAL 159 Ca -0.06 1.97 -0.02 0.00 0.00 0.00 0.00 61.98 63.87 1iqy s VAL 159 Cb -0.13 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.07 1iqy s VAL 159 CO -0.03 0.06 0.13 -1.58 0.00 0.00 0.00 175.10 173.68 1iqy s GLN 160 N 1.66 2.07 0.57 2.72 0.74 0.17 -4.24 119.66 123.36 1iqy s GLN 160 Ca 0.51 -1.66 0.39 0.00 0.05 0.00 0.00 55.36 54.64 1iqy s GLN 160 Cb -0.20 -3.42 2.08 0.00 1.10 0.00 0.00 33.01 32.56 1iqy s GLN 160 CO 0.22 -0.92 2.18 -0.44 -0.55 0.00 0.00 175.29 175.78 1iqy h ASP 161 N 7.98 0.00 -5.14 6.67 3.32 -1.88 -3.44 116.42 123.93 1iqy h ASP 161 Ca -0.14 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.15 1iqy h ASP 161 Cb 1.05 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.47 1iqy h ASP 161 CO 0.63 0.00 0.69 0.72 -1.72 0.00 0.00 179.24 179.56 1iqy s PHE 162 N -3.97 -0.13 0.27 4.55 -0.71 -1.26 -5.01 117.98 111.71 1iqy s PHE 162 Ca -0.04 -0.02 -0.05 0.00 -1.04 0.00 0.00 56.93 55.78 1iqy s PHE 162 Cb 0.11 0.56 0.51 0.00 -1.21 0.00 0.00 43.02 42.99 1iqy s PHE 162 CO 0.36 -0.43 1.61 -1.00 -1.34 0.00 0.00 175.22 174.41 1iqy h PRO 163 N 2.00 0.05 -0.60 1.99 0.13 -2.02 -1.56 132.00 132.00 1iqy h PRO 163 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1iqy h PRO 163 Cb 1.21 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1iqy h PRO 163 CO 0.27 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 1iqy n GLU 164 N -5.43 2.86 -2.86 0.86 -0.58 -1.26 -4.95 120.64 109.27 1iqy n GLU 164 Ca 0.16 -2.00 -0.36 0.00 -0.42 0.00 0.00 57.16 54.54 1iqy n GLU 164 Cb 0.54 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 1iqy n GLU 164 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1iqy s ASP 165 N -0.80 7.22 -0.59 1.62 2.15 -0.59 -5.01 116.67 120.68 1iqy s ASP 165 Ca 0.36 1.72 -0.23 0.00 0.43 0.00 0.00 52.55 54.83 1iqy s ASP 165 Cb 0.23 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.36 1iqy s ASP 165 CO 0.18 -0.08 0.93 -0.55 -0.17 0.00 0.00 175.17 175.48 1iqy s SER 166 N -1.70 6.26 0.53 -0.34 0.15 -1.26 -4.85 113.70 112.49 1iqy s SER 166 Ca 0.50 -0.64 0.23 0.00 0.70 0.00 0.00 55.95 56.74 1iqy s SER 166 Cb -0.17 -2.42 1.44 0.00 -1.71 0.00 0.00 66.02 63.16 1iqy s SER 166 CO 0.22 -1.29 2.13 0.00 1.20 0.00 0.00 173.24 175.49 1iqy h ALA 167 N 9.40 1.57 -0.11 5.45 0.00 -1.92 -1.88 119.26 131.76 1iqy h ALA 167 Ca -0.27 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1iqy h ALA 167 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1iqy h ALA 167 CO 1.12 0.10 0.10 -1.49 0.00 0.00 0.00 179.25 179.08 1iqy h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.90 0.28 115.95 118.38 1iqy h TRP 168 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1iqy h TRP 168 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1iqy h TRP 168 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1iqy h ALA 169 N 1.89 1.00 -2.18 1.49 0.00 -1.67 -3.34 119.26 116.46 1iqy h ALA 169 Ca 0.05 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.41 1iqy h ALA 169 Cb 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.64 1iqy h ALA 169 CO -0.00 0.00 -0.84 0.72 0.00 0.00 0.00 179.25 179.13 1iqy n HIS 170 N -2.49 2.58 -2.04 0.00 8.25 0.97 -4.59 115.22 117.90 1iqy n HIS 170 Ca 0.01 -3.93 -0.37 0.00 -0.26 0.00 0.00 57.72 53.16 1iqy n HIS 170 Cb 0.23 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 30.89 1iqy n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1iqy s PRO 171 N -2.97 3.42 -0.69 -0.41 0.04 -1.25 -1.42 135.00 131.72 1iqy s PRO 171 Ca 0.45 1.97 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 1iqy s PRO 171 Cb 0.29 -2.29 0.18 0.00 0.04 0.00 0.00 34.50 32.71 1iqy s PRO 171 CO -0.11 -0.88 0.55 0.08 0.04 0.00 0.00 177.00 176.68 1iqy s VAL 172 N -1.45 4.43 1.03 -0.36 1.01 -0.61 -4.36 120.40 120.09 1iqy s VAL 172 Ca 0.68 -2.70 -0.15 0.00 0.00 0.00 0.00 61.98 59.81 1iqy s VAL 172 Cb -0.34 -3.82 0.21 0.00 0.00 0.00 0.00 36.38 32.43 1iqy s VAL 172 CO 0.40 -0.92 1.15 -0.62 0.00 0.00 0.00 175.10 175.10 1iqy s ASP 173 N 1.36 2.42 0.00 3.32 -1.08 -1.26 -4.02 116.67 117.41 1iqy s ASP 173 Ca 0.16 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 52.99 1iqy s ASP 173 Cb -0.17 -1.20 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 1iqy s ASP 173 CO -0.05 -3.21 0.00 0.61 0.52 0.00 0.00 175.17 173.04 1iqy n GLY 174 N -1.81 0.46 2.92 2.66 0.00 -1.26 -4.29 105.19 103.87 1iqy n GLY 174 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1iqy n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iqy s LEU 175 N 0.00 1.90 -0.22 0.99 2.96 -1.26 0.11 118.68 123.17 1iqy s LEU 175 Ca 0.00 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 1iqy s LEU 175 Cb 0.00 0.12 0.06 0.00 0.50 0.00 0.00 46.19 46.87 1iqy s LEU 175 CO 0.00 -0.04 0.57 0.54 -1.32 0.00 0.00 176.35 176.09 1iqy s VAL 176 N -0.14 -0.00 0.06 1.68 0.11 -0.04 -4.69 120.40 117.37 1iqy s VAL 176 Ca -0.02 0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1iqy s VAL 176 Cb -0.01 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1iqy s VAL 176 CO -0.00 0.01 -0.21 0.00 -3.33 0.00 0.00 175.10 171.57 1iqy s ALA 177 N 0.68 2.49 -0.12 1.54 0.00 -0.98 -0.10 121.76 125.27 1iqy s ALA 177 Ca -0.03 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1iqy s ALA 177 Cb -0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1iqy s ALA 177 CO -0.05 0.56 -0.14 0.71 0.00 0.00 0.00 175.76 176.84 1iqy s TYR 178 N -0.92 2.78 -0.05 0.00 2.02 -0.27 0.09 117.35 120.99 1iqy s TYR 178 Ca 0.14 -0.63 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1iqy s TYR 178 Cb -0.10 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1iqy s TYR 178 CO 0.05 -0.19 -0.13 0.08 -1.57 0.00 0.00 175.55 173.78 1iqy s VAL 179 N 0.24 1.18 -0.43 0.71 1.01 0.35 -1.27 120.40 122.19 1iqy s VAL 179 Ca -0.09 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1iqy s VAL 179 Cb -0.16 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1iqy s VAL 179 CO 0.05 0.36 0.70 -0.62 0.00 0.00 0.00 175.10 175.59 1iqy s ASP 180 N 0.42 6.37 0.00 3.32 -1.08 0.50 -1.15 116.67 125.05 1iqy s ASP 180 Ca -0.10 -0.19 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 1iqy s ASP 180 Cb -0.14 -2.35 1.25 0.00 -1.46 0.00 0.00 42.92 40.23 1iqy s ASP 180 CO 0.03 -0.81 1.91 0.52 0.52 0.00 0.00 175.17 177.34 1iqy n VAL 181 N 5.93 0.09 -0.09 1.11 0.31 -0.87 -1.33 118.33 123.48 1iqy n VAL 181 Ca -0.00 0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 1iqy n VAL 181 Cb 0.48 -0.55 -0.05 0.00 -0.91 0.00 0.00 33.84 32.81 1iqy n VAL 181 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1iqy n VAL 182 N -1.45 1.47 1.72 2.52 0.31 -1.26 -4.24 118.33 117.41 1iqy n VAL 182 Ca 0.08 0.10 0.15 0.00 -0.01 0.00 0.00 64.34 64.66 1iqy n VAL 182 Cb 0.30 -2.25 0.84 0.00 -0.91 0.00 0.00 33.84 31.82 1iqy n VAL 182 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1iqy n SER 183 N -4.52 0.00 -3.83 4.52 3.41 -1.25 -4.91 113.62 107.04 1iqy n SER 183 Ca -0.18 -0.73 -0.26 0.00 -0.26 0.00 0.00 58.87 57.44 1iqy n SER 183 Cb 0.45 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1iqy n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iqy n LYS 184 N -1.07 -5.05 -5.13 4.33 5.02 -0.44 -5.00 118.16 110.81 1iqy n LYS 184 Ca 0.20 0.59 -0.32 0.00 -2.02 0.00 0.00 58.31 56.76 1iqy n LYS 184 Cb 0.13 -5.27 -0.15 0.00 -0.02 0.00 0.00 35.03 29.72 1iqy n LYS 184 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iqy s GLU 185 N -6.33 2.29 -0.89 1.97 2.02 -0.83 -4.96 118.70 111.98 1iqy s GLU 185 Ca 0.32 -0.83 -0.22 0.00 0.02 0.00 0.00 54.97 54.25 1iqy s GLU 185 Cb -0.16 -2.19 0.08 0.00 0.10 0.00 0.00 34.13 31.96 1iqy s GLU 185 CO 0.83 0.58 1.24 0.08 0.02 0.00 0.00 175.26 178.01 1iqy s VAL 186 N -0.64 4.21 0.61 2.63 1.01 -1.26 -0.37 120.40 126.59 1iqy s VAL 186 Ca 0.10 -0.78 0.32 0.00 0.00 0.00 0.00 61.98 61.62 1iqy s VAL 186 Cb -0.10 -4.89 0.37 0.00 0.00 0.00 0.00 36.38 31.76 1iqy s VAL 186 CO -0.00 -1.71 2.22 0.71 0.00 0.00 0.00 175.10 176.32 1iqy h THR 187 N 6.25 0.40 -1.58 3.92 1.35 -1.53 -3.45 112.91 118.27 1iqy h THR 187 Ca 0.04 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.01 1iqy h THR 187 Cb 1.03 0.94 -0.22 0.00 -1.73 0.00 0.00 68.15 68.17 1iqy h THR 187 CO 1.27 0.00 0.60 -0.60 -0.25 0.00 0.00 175.52 176.54 1iqy s ARG 188 N -4.53 0.54 -0.05 4.72 3.52 -0.98 -4.97 118.95 117.20 1iqy s ARG 188 Ca -0.05 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1iqy s ARG 188 Cb 0.15 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 1iqy s ARG 188 CO 0.51 -0.18 0.03 0.08 -0.81 0.00 0.00 175.30 174.93 1iqy s VAL 189 N -1.40 0.11 -0.14 7.11 1.01 -1.26 -1.11 120.40 124.72 1iqy s VAL 189 Ca 0.01 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1iqy s VAL 189 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1iqy s VAL 189 CO -0.01 0.20 -0.15 -0.63 0.00 0.00 0.00 175.10 174.51 1iqy s ILE 190 N 1.88 2.81 -0.26 2.22 1.01 0.85 -5.00 121.20 124.72 1iqy s ILE 190 Ca 0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1iqy s ILE 190 Cb -0.12 -2.18 0.08 0.00 0.01 0.00 0.00 42.46 40.25 1iqy s ILE 190 CO -0.04 0.52 0.03 -0.62 0.00 0.00 0.00 174.94 174.83 1iqy s ASP 191 N 0.55 3.75 0.15 3.58 -1.08 -1.26 -0.86 116.67 121.51 1iqy s ASP 191 Ca -0.09 -1.32 0.24 0.00 -0.52 0.00 0.00 52.55 50.86 1iqy s ASP 191 Cb -0.16 -0.97 0.32 0.00 -1.46 0.00 0.00 42.92 40.65 1iqy s ASP 191 CO 0.04 -0.32 1.32 0.71 0.52 0.00 0.00 175.17 177.43 1iqy h THR 192 N 6.57 0.00 0.00 1.71 1.35 -0.72 -3.49 112.91 118.33 1iqy h THR 192 Ca -0.15 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1iqy h THR 192 Cb 1.06 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1iqy h THR 192 CO 0.42 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 1iqy n GLY 193 N 1.30 3.49 3.77 5.82 0.00 -1.22 -5.06 105.19 113.29 1iqy n GLY 193 Ca 0.03 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1iqy n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqy s VAL 194 N -2.00 4.43 0.03 1.61 1.01 -1.26 -4.12 120.40 120.10 1iqy s VAL 194 Ca 0.00 1.72 0.06 0.00 0.00 0.00 0.00 61.98 63.75 1iqy s VAL 194 Cb 0.00 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1iqy s VAL 194 CO 0.00 0.49 -0.16 -0.36 0.00 0.00 0.00 175.10 175.07 1iqy s PHE 195 N -0.92 1.41 0.40 5.22 0.40 -1.26 -5.00 117.98 118.23 1iqy s PHE 195 Ca 0.37 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 56.08 1iqy s PHE 195 Cb -0.23 -0.84 -0.10 0.00 0.51 0.00 0.00 43.02 42.36 1iqy s PHE 195 CO 0.26 0.04 1.47 -2.14 0.70 0.00 0.00 175.22 175.55 1iqy s PRO 196 N -1.05 3.98 -0.31 0.24 0.02 -1.26 -4.68 135.00 131.95 1iqy s PRO 196 Ca 0.04 2.53 -0.18 0.00 0.02 0.00 0.00 61.00 63.41 1iqy s PRO 196 Cb -0.08 -2.88 -0.02 0.00 0.02 0.00 0.00 34.50 31.55 1iqy s PRO 196 CO 0.01 -0.62 0.50 0.08 -0.33 0.00 0.00 177.00 176.64 1iqy s VAL 197 N -1.14 5.05 0.00 3.83 1.01 -1.26 -4.80 120.40 123.09 1iqy s VAL 197 Ca 0.55 0.58 -0.38 0.00 0.00 0.00 0.00 61.98 62.73 1iqy s VAL 197 Cb -0.46 -3.88 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 1iqy s VAL 197 CO 0.61 -0.06 1.34 -2.65 0.00 0.00 0.00 175.10 174.35 1iqy n PRO 198 N 5.63 0.86 -0.01 2.72 -0.02 -1.26 -4.92 135.00 137.99 1iqy n PRO 198 Ca -0.05 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 1iqy n PRO 198 Cb 0.49 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 1iqy n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iqy h ALA 199 N 4.56 0.72 -2.94 3.55 0.00 -1.83 -3.40 119.26 119.93 1iqy h ALA 199 Ca -0.48 -1.43 -0.54 0.00 0.00 0.00 0.00 54.91 52.46 1iqy h ALA 199 Cb 1.36 0.47 0.11 0.00 0.00 0.00 0.00 17.79 19.72 1iqy h ALA 199 CO 0.78 1.55 0.78 -1.21 0.00 0.00 0.00 179.25 181.15 1iqy s GLU 200 N -2.60 4.11 0.62 0.00 2.02 -1.26 -5.00 118.70 116.58 1iqy s GLU 200 Ca -0.06 2.57 -0.06 0.00 0.02 0.00 0.00 54.97 57.45 1iqy s GLU 200 Cb 0.08 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.36 1iqy s GLU 200 CO 0.82 -0.54 0.92 -3.38 0.02 0.00 0.00 175.26 173.10 1iqy s HIS 201 N -1.07 3.14 -0.33 1.61 -3.43 -1.26 -4.75 115.29 109.19 1iqy s HIS 201 Ca 0.53 0.54 0.14 0.00 -0.80 0.00 0.00 55.06 55.47 1iqy s HIS 201 Cb -0.47 -2.85 0.46 0.00 -1.43 0.00 0.00 32.58 28.29 1iqy s HIS 201 CO 0.62 -0.97 1.07 0.41 -2.00 0.00 0.00 174.74 173.87 1iqy n GLY 202 N -2.65 3.56 3.45 -1.38 0.00 -1.26 -5.00 105.19 101.90 1iqy n GLY 202 Ca 0.06 -1.85 -0.44 0.00 0.00 0.00 0.00 46.02 43.79 1iqy n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iqy s ASN 203 N -3.47 6.68 0.00 1.61 0.01 -1.26 -4.77 114.94 113.74 1iqy s ASN 203 Ca 0.36 -2.18 0.03 0.00 -0.71 0.00 0.00 52.86 50.37 1iqy s ASN 203 Cb 0.40 -2.39 0.19 0.00 0.41 0.00 0.00 41.25 39.87 1iqy s ASN 203 CO -0.04 -1.01 0.74 0.00 -1.51 0.00 0.00 177.10 175.29 1iqy n TYR 204 N 6.34 0.00 0.42 2.20 0.18 -1.26 -0.49 117.16 124.55 1iqy n TYR 204 Ca 0.25 0.00 0.05 0.00 1.88 0.00 0.00 57.90 60.08 1iqy n TYR 204 Cb 0.48 -0.07 0.02 0.00 -0.38 0.00 0.00 39.34 39.39 1iqy n TYR 204 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1iqy n THR 205 N -1.07 0.00 -2.62 -3.48 -2.24 -1.26 -4.75 114.28 98.86 1iqy n THR 205 Ca 0.02 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 1iqy n THR 205 Cb 0.02 1.16 -0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1iqy n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iqy s ASP 206 N -1.07 6.63 0.00 3.42 -1.08 0.36 -4.89 116.67 120.05 1iqy s ASP 206 Ca 0.10 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1iqy s ASP 206 Cb 0.08 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1iqy s ASP 206 CO 0.18 -1.23 0.84 -0.81 0.52 0.00 0.00 175.17 174.68 1iqy n PRO 207 N 7.76 0.00 0.08 4.34 -0.04 -1.26 0.57 135.00 146.46 1iqy n PRO 207 Ca 0.11 0.35 -0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1iqy n PRO 207 Cb 0.49 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1iqy n PRO 207 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1iqy h GLU 208 N 0.00 0.05 0.02 0.54 4.81 -1.90 -2.27 114.58 115.84 1iqy h GLU 208 Ca 0.00 -0.07 -0.30 0.00 -0.13 0.00 0.00 59.36 58.86 1iqy h GLU 208 Cb 0.21 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1iqy h GLU 208 CO 0.00 0.93 -1.66 -0.11 -0.73 0.00 0.00 179.01 177.44 1iqy n LEU 209 N -3.51 2.05 -0.19 1.64 7.94 0.19 -4.42 117.00 120.72 1iqy n LEU 209 Ca -0.01 0.35 -0.08 0.00 -1.11 0.00 0.00 56.01 55.15 1iqy n LEU 209 Cb 0.86 -0.97 0.01 0.00 0.53 0.00 0.00 43.42 43.86 1iqy n LEU 209 CO 0.47 0.45 0.93 0.71 -1.11 0.00 0.00 177.39 178.84 1iqy h THR 210 N -0.78 1.23 0.00 1.96 1.35 -1.41 -3.49 112.91 111.77 1iqy h THR 210 Ca -0.43 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1iqy h THR 210 Cb 1.51 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1iqy h THR 210 CO -0.19 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1iqy n GLY 211 N -0.71 -3.40 3.76 5.82 0.00 -0.85 -4.87 105.19 104.94 1iqy n GLY 211 Ca 0.02 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1iqy n GLY 211 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iqy s PRO 212 N -0.94 4.17 0.69 1.61 0.02 -1.26 -4.85 135.00 134.45 1iqy s PRO 212 Ca 0.00 2.48 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 1iqy s PRO 212 Cb 0.00 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.50 1iqy s PRO 212 CO 0.00 -0.51 1.10 -0.51 -0.33 0.00 0.00 177.00 176.75 1iqy s LEU 213 N -1.03 3.28 0.37 -5.54 1.02 -1.26 -4.98 118.68 110.54 1iqy s LEU 213 Ca 0.58 1.95 -0.27 0.00 0.02 0.00 0.00 54.13 56.41 1iqy s LEU 213 Cb -0.45 -4.54 -0.09 0.00 0.02 0.00 0.00 46.19 41.13 1iqy s LEU 213 CO 0.51 -1.75 1.20 -0.13 0.02 0.00 0.00 176.35 176.21 1iqy s ARG 214 N -4.33 4.19 0.00 1.70 0.52 -1.26 -4.94 118.95 114.83 1iqy s ARG 214 Ca 0.65 1.93 0.07 0.00 -0.52 0.00 0.00 55.73 57.87 1iqy s ARG 214 Cb -0.19 -2.84 0.08 0.00 0.52 0.00 0.00 34.95 32.52 1iqy s ARG 214 CO 0.46 -0.23 0.79 0.25 0.02 0.00 0.00 175.30 176.59 1iqy n THR 215 N 0.39 0.13 0.15 0.02 -2.24 -1.26 -4.69 114.28 106.78 1iqy n THR 215 Ca 0.03 -0.57 0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1iqy n THR 215 Cb 0.45 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.79 1iqy n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1iqy h THR 216 N 1.42 0.63 -2.84 4.28 1.35 -2.04 -3.46 112.91 112.26 1iqy h THR 216 Ca 0.00 -1.91 -0.56 0.00 -0.55 0.00 0.00 66.41 63.39 1iqy h THR 216 Cb 0.35 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 1iqy h THR 216 CO 0.00 0.36 0.98 -1.10 -0.25 0.00 0.00 175.52 175.50 1iqy s GLN 217 N -3.02 4.15 0.19 4.72 -0.21 -1.26 -5.02 119.66 119.21 1iqy s GLN 217 Ca 0.04 1.76 0.01 0.00 0.02 0.00 0.00 55.36 57.18 1iqy s GLN 217 Cb 0.07 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.19 1iqy s GLN 217 CO 0.74 -0.83 0.36 0.15 -2.12 0.00 0.00 175.29 173.58 1iqy s LYS 218 N 3.80 3.49 0.55 2.91 -0.14 -1.26 -5.07 119.74 124.02 1iqy s LYS 218 Ca 0.61 -0.45 -0.21 0.00 -1.36 0.00 0.00 55.97 54.56 1iqy s LYS 218 Cb -0.24 -2.88 -0.05 0.00 -1.68 0.00 0.00 37.83 32.99 1iqy s LYS 218 CO 0.20 0.43 1.27 -2.14 -0.76 0.00 0.00 175.35 174.35 1iqy s PRO 219 N -3.38 3.15 -0.16 -1.68 0.02 -1.26 -5.04 135.00 126.65 1iqy s PRO 219 Ca 0.37 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1iqy s PRO 219 Cb -0.11 -2.15 0.03 0.00 0.02 0.00 0.00 34.50 32.30 1iqy s PRO 219 CO 0.29 -1.11 -0.10 0.42 -0.33 0.00 0.00 177.00 176.17 1iqy s ILE 220 N -1.45 1.41 -0.28 2.83 1.01 -1.26 -5.11 121.20 118.35 1iqy s ILE 220 Ca 0.73 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 1iqy s ILE 220 Cb -0.35 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.70 1iqy s ILE 220 CO 0.40 0.31 0.08 -0.44 0.00 0.00 0.00 174.94 175.28 1iqy s SER 221 N 1.53 5.10 -0.40 3.58 0.01 -1.26 -5.06 113.70 117.21 1iqy s SER 221 Ca 0.03 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.65 1iqy s SER 221 Cb -0.14 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.26 1iqy s SER 221 CO -0.09 -0.14 0.23 -0.63 0.41 0.00 0.00 173.24 173.02 1iqy s ILE 222 N 1.54 4.28 0.11 1.44 1.01 -1.26 -5.07 121.20 123.25 1iqy s ILE 222 Ca 0.04 -1.22 0.07 0.00 0.00 0.00 0.00 60.65 59.54 1iqy s ILE 222 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1iqy s ILE 222 CO 0.03 -0.39 -0.18 0.42 0.00 0.00 0.00 174.94 174.82 1iqy s THR 223 N 1.46 1.54 -0.52 2.92 -4.23 -1.26 -3.88 115.64 111.67 1iqy s THR 223 Ca 0.02 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1iqy s THR 223 Cb -0.22 -1.52 0.13 0.00 1.34 0.00 0.00 72.50 72.23 1iqy s THR 223 CO 0.03 -0.22 0.27 -1.10 -0.54 0.00 0.00 174.62 173.06 1iqy s GLN 224 N -2.23 1.92 0.61 3.99 -0.21 -1.26 -4.97 119.66 117.51 1iqy s GLN 224 Ca 0.07 -2.59 0.28 0.00 0.02 0.00 0.00 55.36 53.14 1iqy s GLN 224 Cb -0.08 -3.20 1.45 0.00 1.00 0.00 0.00 33.01 32.18 1iqy s GLN 224 CO 0.04 -1.13 1.85 -1.00 -2.12 0.00 0.00 175.29 172.94 1iqy h PRO 225 N 6.46 0.00 -0.17 2.91 0.13 -2.04 0.07 132.00 139.37 1iqy h PRO 225 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1iqy h PRO 225 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1iqy h PRO 225 CO 0.67 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 1iqy n GLU 226 N -3.42 2.69 0.00 0.86 1.02 -1.26 -5.11 120.64 115.43 1iqy n GLU 226 Ca 0.06 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 1iqy n GLU 226 Cb 0.62 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1iqy n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqy n GLY 227 N 0.05 -0.54 3.81 0.62 0.00 0.01 -4.98 105.19 104.16 1iqy n GLY 227 Ca 0.06 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1iqy n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqy s PRO 228 N -1.43 3.03 0.00 1.61 0.04 -1.26 -4.88 135.00 132.11 1iqy s PRO 228 Ca 0.00 1.05 0.28 0.00 0.04 0.00 0.00 61.00 62.38 1iqy s PRO 228 Cb 0.00 -2.00 1.12 0.00 0.04 0.00 0.00 34.50 33.66 1iqy s PRO 228 CO 0.00 -1.03 1.79 0.43 0.04 0.00 0.00 177.00 178.22 1iqy n SER 229 N -2.78 1.18 -4.85 6.66 7.64 -1.26 -4.88 113.62 115.33 1iqy n SER 229 Ca 0.08 -1.28 -0.28 0.00 1.01 0.00 0.00 58.87 58.40 1iqy n SER 229 Cb 0.53 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 1iqy n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iqy s PHE 230 N -2.11 3.29 -0.03 1.43 -0.12 -1.26 -4.57 117.98 114.62 1iqy s PHE 230 Ca 0.37 0.07 0.07 0.00 -0.05 0.00 0.00 56.93 57.39 1iqy s PHE 230 Cb 0.21 -1.61 -0.02 0.00 -0.63 0.00 0.00 43.02 40.97 1iqy s PHE 230 CO 0.38 0.53 -0.25 0.95 -0.05 0.00 0.00 175.22 176.78 1iqy s THR 231 N -1.64 2.16 -0.19 -4.49 -4.23 0.06 -4.96 115.64 102.35 1iqy s THR 231 Ca 0.32 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1iqy s THR 231 Cb -0.11 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1iqy s THR 231 CO 0.25 0.58 -0.12 -0.69 -0.54 0.00 0.00 174.62 174.10 1iqy s VAL 232 N -0.59 2.82 0.12 2.29 1.01 -1.26 -1.38 120.40 123.41 1iqy s VAL 232 Ca 0.09 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1iqy s VAL 232 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1iqy s VAL 232 CO -0.01 0.48 -0.11 0.42 0.00 0.00 0.00 175.10 175.89 1iqy s THR 233 N 1.24 1.08 -1.70 3.92 -4.23 -0.31 -4.79 115.64 110.85 1iqy s THR 233 Ca 0.03 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1iqy s THR 233 Cb -0.14 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1iqy s THR 233 CO -0.05 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1iqy n GLY 234 N 0.27 -0.42 4.42 3.99 0.00 -1.26 -0.93 105.19 111.26 1iqy n GLY 234 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1iqy n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqy n GLY 235 N -0.97 1.66 0.32 -0.02 0.00 -1.26 -4.35 105.19 100.57 1iqy n GLY 235 Ca -0.23 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1iqy n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqy n ASN 236 N 3.12 0.70 -4.65 1.61 6.94 -1.21 -5.02 115.26 116.76 1iqy n ASN 236 Ca 0.00 -2.18 -0.38 0.00 -0.02 0.00 0.00 54.58 51.99 1iqy n ASN 236 Cb 0.00 -0.23 -0.08 0.00 -2.36 0.00 0.00 39.78 37.11 1iqy n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1iqy s HIS 237 N -0.79 3.33 -0.11 -2.53 2.46 -0.11 -0.50 115.29 117.04 1iqy s HIS 237 Ca 0.08 0.54 -0.03 0.00 0.47 0.00 0.00 55.06 56.12 1iqy s HIS 237 Cb 0.07 -2.53 -0.03 0.00 -0.13 0.00 0.00 32.58 29.96 1iqy s HIS 237 CO 0.01 -0.08 -0.01 0.42 -2.47 0.00 0.00 174.74 172.60 1iqy s ILE 238 N 1.56 4.17 -0.18 0.89 -1.09 0.13 -1.16 121.20 125.53 1iqy s ILE 238 Ca 0.17 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1iqy s ILE 238 Cb -0.15 -2.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1iqy s ILE 238 CO 0.08 0.56 -0.07 -1.61 -1.23 0.00 0.00 174.94 172.67 1iqy s GLU 239 N -0.41 1.62 -0.19 2.79 0.41 -0.48 -1.62 118.70 120.83 1iqy s GLU 239 Ca 0.07 -0.62 -0.08 0.00 -0.41 0.00 0.00 54.97 53.93 1iqy s GLU 239 Cb -0.12 -2.14 0.07 0.00 -1.78 0.00 0.00 34.13 30.17 1iqy s GLU 239 CO 0.02 -0.43 0.42 -0.46 -0.49 0.00 0.00 175.26 174.32 1iqy s TRP 240 N 1.56 -0.71 -1.13 1.61 -0.00 -0.24 -0.76 118.94 119.27 1iqy s TRP 240 Ca 0.00 1.42 -0.24 0.00 -0.00 0.00 0.00 56.10 57.28 1iqy s TRP 240 Cb -0.16 0.29 0.03 0.00 -0.00 0.00 0.00 33.47 33.64 1iqy s TRP 240 CO -0.08 -0.41 0.46 0.39 -0.00 0.00 0.00 176.95 177.30 1iqy n GLU 241 N 4.80 -0.44 0.00 5.86 -0.58 -1.26 0.58 120.64 129.59 1iqy n GLU 241 Ca -0.16 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1iqy n GLU 241 Cb 0.53 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1iqy n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1iqy n LYS 242 N -4.48 0.00 -3.01 3.49 5.02 -1.26 -4.92 118.16 113.00 1iqy n LYS 242 Ca -0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.81 1iqy n LYS 242 Cb 0.52 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1iqy n LYS 242 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1iqy s TRP 243 N -2.51 3.49 -0.05 2.13 0.52 0.19 -0.53 118.94 122.18 1iqy s TRP 243 Ca 0.00 1.43 -0.03 0.00 0.02 0.00 0.00 56.10 57.52 1iqy s TRP 243 Cb 0.00 -2.68 0.03 0.00 -1.15 0.00 0.00 33.47 29.67 1iqy s TRP 243 CO 0.00 0.14 0.12 0.45 0.02 0.00 0.00 176.95 177.68 1iqy s SER 244 N -1.98 -0.08 0.10 2.95 0.15 -0.18 -1.08 113.70 113.58 1iqy s SER 244 Ca 0.52 0.24 -0.27 0.00 0.70 0.00 0.00 55.95 57.14 1iqy s SER 244 Cb -0.13 0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.41 1iqy s SER 244 CO 0.18 -0.12 1.00 -1.48 1.20 0.00 0.00 173.24 174.03 1iqy s LEU 245 N 0.89 -0.18 -0.11 3.45 2.34 -0.64 -0.75 118.68 123.68 1iqy s LEU 245 Ca -0.07 -0.30 0.03 0.00 0.06 0.00 0.00 54.13 53.86 1iqy s LEU 245 Cb -0.09 2.01 0.00 0.00 -0.56 0.00 0.00 46.19 47.55 1iqy s LEU 245 CO -0.04 -0.76 -0.23 -1.81 -1.06 0.00 0.00 176.35 172.45 1iqy s ASP 246 N -2.87 3.08 -0.57 1.48 1.01 0.21 0.19 116.67 119.20 1iqy s ASP 246 Ca 0.11 -0.57 -0.21 0.00 0.71 0.00 0.00 52.55 52.59 1iqy s ASP 246 Cb -0.00 -1.42 0.06 0.00 1.01 0.00 0.00 42.92 42.58 1iqy s ASP 246 CO -0.00 0.13 0.81 -0.69 0.21 0.00 0.00 175.17 175.62 1iqy s VAL 247 N 0.51 4.60 0.50 -1.27 1.01 0.34 -0.56 120.40 125.53 1iqy s VAL 247 Ca -0.15 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1iqy s VAL 247 Cb -0.17 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1iqy s VAL 247 CO 0.05 -1.11 0.69 -0.83 0.00 0.00 0.00 175.10 173.91 1iqy s GLY 248 N 3.15 1.87 -0.15 4.51 0.00 0.13 -4.76 107.32 112.07 1iqy s GLY 248 Ca 0.20 -1.46 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 1iqy s GLY 248 CO 0.12 -1.22 0.32 -0.12 0.00 0.00 0.00 173.10 172.21 1iqy s PHE 249 N -2.60 -0.53 -0.00 1.90 5.36 -1.26 -1.23 117.98 119.62 1iqy s PHE 249 Ca 0.56 1.13 0.08 0.00 -0.96 0.00 0.00 56.93 57.74 1iqy s PHE 249 Cb -0.10 0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.66 1iqy s PHE 249 CO 0.36 -0.37 -0.26 0.34 -1.46 0.00 0.00 175.22 173.83 1iqy s ASP 250 N 2.19 3.08 0.53 6.13 2.15 -0.43 -4.88 116.67 125.45 1iqy s ASP 250 Ca -0.02 -0.50 0.19 0.00 0.43 0.00 0.00 52.55 52.65 1iqy s ASP 250 Cb -0.11 -0.33 1.33 0.00 -0.30 0.00 0.00 42.92 43.51 1iqy s ASP 250 CO -0.10 0.30 2.12 1.62 -0.17 0.00 0.00 175.17 178.95 1iqy h VAL 251 N 4.42 0.91 0.00 1.11 3.04 -1.86 0.14 116.25 124.01 1iqy h VAL 251 Ca -0.44 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.13 1iqy h VAL 251 Cb 1.13 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 1iqy h VAL 251 CO 0.46 0.00 -0.68 -0.09 -1.01 0.00 0.00 177.57 176.25 1iqy h ARG 252 N 0.00 0.00 0.00 4.17 2.43 -1.89 0.21 114.38 119.30 1iqy h ARG 252 Ca 0.05 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1iqy h ARG 252 Cb 0.21 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1iqy h ARG 252 CO -0.00 0.89 -0.94 0.93 -1.51 0.00 0.00 179.97 179.34 1iqy h GLU 253 N -1.00 0.00 0.00 0.20 5.08 -1.83 -3.16 114.58 113.87 1iqy h GLU 253 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1iqy h GLU 253 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1iqy h GLU 253 CO -0.11 0.32 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1iqy n GLY 254 N 1.29 0.52 3.70 -3.84 0.00 0.49 -4.65 105.19 102.70 1iqy n GLY 254 Ca -0.03 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1iqy n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqy s VAL 255 N 0.00 2.90 -0.01 1.61 1.01 -1.26 -1.31 120.40 123.34 1iqy s VAL 255 Ca 0.00 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.58 1iqy s VAL 255 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1iqy s VAL 255 CO 0.00 0.02 -0.21 -0.69 0.00 0.00 0.00 175.10 174.22 1iqy s VAL 256 N 1.81 1.69 -0.16 2.92 1.01 -0.36 -4.68 120.40 122.62 1iqy s VAL 256 Ca 0.71 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1iqy s VAL 256 Cb -0.41 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1iqy s VAL 256 CO 0.31 0.46 -0.01 -0.76 0.00 0.00 0.00 175.10 175.11 1iqy s LEU 257 N -0.56 3.44 0.07 3.92 1.43 -0.32 0.20 118.68 126.86 1iqy s LEU 257 Ca 0.08 -0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.22 1iqy s LEU 257 Cb -0.08 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1iqy s LEU 257 CO -0.01 0.18 -0.22 -1.00 0.23 0.00 0.00 176.35 175.54 1iqy s HIS 258 N 0.29 2.46 -1.27 0.29 3.76 0.27 -0.71 115.29 120.38 1iqy s HIS 258 Ca -0.01 -0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 54.48 1iqy s HIS 258 Cb -0.13 -1.39 -0.00 0.00 1.11 0.00 0.00 32.58 32.17 1iqy s HIS 258 CO 0.02 0.26 0.62 0.09 -0.85 0.00 0.00 174.74 174.89 1iqy n ASN 259 N 1.34 -2.79 -4.65 1.40 3.02 0.11 -0.62 115.26 113.07 1iqy n ASN 259 Ca -0.17 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 1iqy n ASN 259 Cb 0.52 -3.26 -0.02 0.00 -0.61 0.00 0.00 39.78 36.41 1iqy n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iqy s ILE 260 N -3.69 4.15 0.05 2.41 1.01 0.11 -3.92 121.20 121.32 1iqy s ILE 260 Ca 0.23 1.37 -0.00 0.00 0.00 0.00 0.00 60.65 62.25 1iqy s ILE 260 Cb -0.09 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1iqy s ILE 260 CO 0.87 -0.23 -0.04 0.00 0.00 0.00 0.00 174.94 175.55 1iqy s ALA 261 N 3.88 0.52 -0.11 9.38 0.00 0.07 -0.82 121.76 134.68 1iqy s ALA 261 Ca 0.58 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1iqy s ALA 261 Cb -0.21 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1iqy s ALA 261 CO 0.19 -0.31 -0.15 0.12 0.00 0.00 0.00 175.76 175.61 1iqy s PHE 262 N -3.42 2.01 -0.94 0.00 2.19 0.10 -1.01 117.98 116.90 1iqy s PHE 262 Ca 0.04 -0.98 -0.24 0.00 0.33 0.00 0.00 56.93 56.09 1iqy s PHE 262 Cb 0.04 -1.45 0.05 0.00 -1.31 0.00 0.00 43.02 40.35 1iqy s PHE 262 CO -0.08 -0.51 1.38 0.50 1.83 0.00 0.00 175.22 178.35 1iqy s ARG 263 N 1.07 3.49 -1.06 10.12 3.52 0.31 0.13 118.95 136.53 1iqy s ARG 263 Ca -0.05 -0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 54.39 1iqy s ARG 263 Cb -0.15 -5.05 0.09 0.00 -1.56 0.00 0.00 34.95 28.29 1iqy s ARG 263 CO -0.03 -2.16 1.39 0.34 -0.81 0.00 0.00 175.30 174.03 1iqy s ASP 264 N 4.59 6.66 0.10 -2.12 -1.08 0.94 -4.79 116.67 120.96 1iqy s ASP 264 Ca 0.42 -1.96 0.00 0.00 -0.52 0.00 0.00 52.55 50.49 1iqy s ASP 264 Cb -0.02 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1iqy s ASP 264 CO -0.04 -1.23 0.00 0.61 0.52 0.00 0.00 175.17 175.03 1iqy n GLY 265 N 5.92 1.14 0.14 2.66 0.00 -1.26 -2.54 105.19 111.24 1iqy n GLY 265 Ca 0.33 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.46 1iqy n GLY 265 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iqy n ASP 266 N 4.96 1.97 -4.72 1.61 5.75 -1.26 -4.96 116.55 119.90 1iqy n ASP 266 Ca 0.00 0.13 -0.42 0.00 -0.01 0.00 0.00 54.79 54.49 1iqy n ASP 266 Cb 0.00 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.42 1iqy n ASP 266 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1iqy s ARG 267 N -2.51 4.46 -0.55 0.11 0.52 -1.05 -4.97 118.95 114.95 1iqy s ARG 267 Ca -0.37 1.76 -0.20 0.00 -0.52 0.00 0.00 55.73 56.40 1iqy s ARG 267 Cb 0.12 -3.33 0.07 0.00 0.52 0.00 0.00 34.95 32.32 1iqy s ARG 267 CO 0.54 -0.20 0.72 -1.17 0.02 0.00 0.00 175.30 175.22 1iqy s LEU 268 N 0.78 4.86 -0.24 2.53 1.98 -1.26 -0.04 118.68 127.30 1iqy s LEU 268 Ca 0.57 -0.94 -0.17 0.00 -2.89 0.00 0.00 54.13 50.70 1iqy s LEU 268 Cb -0.30 -2.47 -0.03 0.00 0.66 0.00 0.00 46.19 44.05 1iqy s LEU 268 CO 0.30 -1.04 0.48 -0.13 -1.89 0.00 0.00 176.35 174.07 1iqy s ARG 269 N 2.99 4.10 0.41 1.98 0.52 0.12 -4.88 118.95 124.19 1iqy s ARG 269 Ca 0.17 0.28 -0.25 0.00 -0.52 0.00 0.00 55.73 55.42 1iqy s ARG 269 Cb -0.19 -3.61 -0.08 0.00 0.52 0.00 0.00 34.95 31.58 1iqy s ARG 269 CO 0.12 -0.25 1.12 -1.25 0.02 0.00 0.00 175.30 175.06 1iqy s PRO 270 N 1.96 4.06 0.11 3.54 0.04 -1.26 0.01 135.00 143.47 1iqy s PRO 270 Ca 0.21 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1iqy s PRO 270 Cb -0.15 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1iqy s PRO 270 CO 0.09 -0.27 0.00 -0.89 0.04 0.00 0.00 177.00 175.97 1iqy n ILE 271 N -0.03 0.84 -4.37 0.56 5.41 -0.00 -0.01 119.36 121.76 1iqy n ILE 271 Ca 0.05 0.28 -0.27 0.00 1.00 0.00 0.00 62.75 63.81 1iqy n ILE 271 Cb 0.48 -1.40 -0.17 0.00 -0.71 0.00 0.00 39.64 37.84 1iqy n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1iqy s ILE 272 N -2.00 1.24 0.06 1.39 1.01 -0.96 -1.48 121.20 120.46 1iqy s ILE 272 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1iqy s ILE 272 Cb 0.00 -1.16 -0.15 0.00 0.01 0.00 0.00 42.46 41.16 1iqy s ILE 272 CO 0.00 0.39 1.30 -1.13 0.00 0.00 0.00 174.94 175.50 1iqy h ASN 273 N 7.42 0.63 -3.13 3.58 -0.00 -0.19 0.31 115.58 124.21 1iqy h ASN 273 Ca -0.31 -0.57 -0.07 0.00 -0.00 0.00 0.00 56.30 55.35 1iqy h ASN 273 Cb 1.17 -0.18 -0.25 0.00 -0.00 0.00 0.00 38.32 39.06 1iqy h ASN 273 CO 0.47 1.09 -0.20 -0.60 -0.00 0.00 0.00 177.43 178.18 1iqy s ARG 274 N -3.97 0.49 -0.08 6.67 3.52 -1.09 0.10 118.95 124.58 1iqy s ARG 274 Ca -0.13 0.93 0.03 0.00 -0.13 0.00 0.00 55.73 56.43 1iqy s ARG 274 Cb 0.06 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 1iqy s ARG 274 CO 0.82 -0.16 -0.18 0.00 -0.81 0.00 0.00 175.30 174.97 1iqy s ALA 275 N 1.51 1.68 0.19 6.12 0.00 0.11 -0.49 121.76 130.89 1iqy s ALA 275 Ca -0.10 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1iqy s ALA 275 Cb -0.07 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.42 1iqy s ALA 275 CO -0.15 0.21 0.54 -1.54 0.00 0.00 0.00 175.76 174.82 1iqy s SER 276 N 0.45 -0.32 -0.55 0.00 1.04 -0.52 -1.18 113.70 112.61 1iqy s SER 276 Ca -0.15 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.73 1iqy s SER 276 Cb -0.16 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.65 1iqy s SER 276 CO 0.06 -1.04 0.59 -0.63 0.98 0.00 0.00 173.24 173.20 1iqy s ILE 277 N -3.84 5.00 -0.97 -1.02 -1.09 -1.26 0.70 121.20 118.72 1iqy s ILE 277 Ca 0.07 -1.12 0.28 0.00 -2.23 0.00 0.00 60.65 57.65 1iqy s ILE 277 Cb -0.01 -4.38 0.23 0.00 -1.58 0.00 0.00 42.46 36.72 1iqy s ILE 277 CO -0.05 -0.94 1.88 0.00 -1.23 0.00 0.00 174.94 174.59 1iqy n ALA 278 N 5.82 2.40 -3.52 9.38 0.00 -0.05 -4.70 120.51 129.85 1iqy n ALA 278 Ca -0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1iqy n ALA 278 Cb 0.42 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 1iqy n ALA 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iqy s GLU 279 N -3.01 0.83 -0.27 0.00 2.56 -1.23 -4.48 118.70 113.10 1iqy s GLU 279 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.97 55.03 1iqy s GLU 279 Cb 0.18 0.39 0.15 0.00 2.00 0.00 0.00 34.13 36.85 1iqy s GLU 279 CO 0.55 -0.31 0.45 1.41 -0.56 0.00 0.00 175.26 176.79 1iqy s MET 280 N -2.14 0.42 0.04 4.30 1.75 -1.26 -1.67 119.30 120.75 1iqy s MET 280 Ca -0.01 0.62 0.06 0.00 -1.25 0.00 0.00 55.69 55.12 1iqy s MET 280 Cb -0.01 -0.15 -0.03 0.00 2.84 0.00 0.00 34.83 37.48 1iqy s MET 280 CO -0.02 -0.69 -0.15 0.54 -0.65 0.00 0.00 175.02 174.05 1iqy s VAL 281 N 2.64 3.05 -0.60 10.11 0.11 0.55 -0.78 120.40 135.48 1iqy s VAL 281 Ca 0.15 -1.12 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1iqy s VAL 281 Cb -0.15 -2.32 0.16 0.00 -1.53 0.00 0.00 36.38 32.54 1iqy s VAL 281 CO -0.19 0.31 0.40 -0.69 -3.33 0.00 0.00 175.10 171.60 1iqy s VAL 282 N -0.98 2.37 0.27 2.04 1.01 0.11 -0.36 120.40 124.87 1iqy s VAL 282 Ca 0.16 -3.69 -0.29 0.00 0.00 0.00 0.00 61.98 58.16 1iqy s VAL 282 Cb -0.11 -2.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1iqy s VAL 282 CO 0.07 -0.97 1.01 -2.16 0.00 0.00 0.00 175.10 173.04 1iqy s PRO 283 N -0.83 4.72 -0.02 2.72 0.04 -1.19 -2.54 135.00 137.90 1iqy s PRO 283 Ca 0.23 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 62.87 1iqy s PRO 283 Cb -0.11 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1iqy s PRO 283 CO -0.11 0.35 0.04 0.71 0.04 0.00 0.00 177.00 178.02 1iqy s TYR 284 N -1.23 3.19 -0.33 0.56 1.51 -1.11 -1.45 117.35 118.49 1iqy s TYR 284 Ca 0.44 0.17 0.08 0.00 -1.01 0.00 0.00 57.07 56.74 1iqy s TYR 284 Cb -0.27 -1.72 0.55 0.00 -0.11 0.00 0.00 41.96 40.40 1iqy s TYR 284 CO 0.35 0.51 1.58 0.41 -1.11 0.00 0.00 175.55 177.29 1iqy n GLY 285 N 1.43 4.77 3.55 0.71 0.00 0.14 -4.94 105.19 110.86 1iqy n GLY 285 Ca -0.15 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 1iqy n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqy s ASP 286 N -2.20 6.26 0.00 1.61 -1.08 -1.26 -4.78 116.67 115.22 1iqy s ASP 286 Ca 0.48 -0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.53 1iqy s ASP 286 Cb 0.42 -2.24 0.67 0.00 -1.46 0.00 0.00 42.92 40.31 1iqy s ASP 286 CO 0.03 -0.40 1.22 -0.81 0.52 0.00 0.00 175.17 175.73 1iqy n PRO 287 N 5.56 0.73 -2.32 4.34 -0.04 -1.26 -3.32 135.00 138.69 1iqy n PRO 287 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1iqy n PRO 287 Cb 0.49 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.68 1iqy n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iqy s SER 288 N -1.62 7.01 0.53 3.54 0.15 -1.26 -4.75 113.70 117.29 1iqy s SER 288 Ca 0.17 2.25 0.34 0.00 0.70 0.00 0.00 55.95 59.41 1iqy s SER 288 Cb 0.08 -2.60 1.84 0.00 -1.71 0.00 0.00 66.02 63.63 1iqy s SER 288 CO 0.13 -0.46 2.03 1.55 1.20 0.00 0.00 173.24 177.70 1iqy h PRO 289 N 5.69 0.00 -0.06 5.44 0.13 -1.97 0.80 132.00 142.03 1iqy h PRO 289 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 1iqy h PRO 289 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1iqy h PRO 289 CO 0.77 0.00 -0.51 0.82 -0.23 0.00 0.00 178.00 178.86 1iqy h ILE 290 N 0.00 1.36 0.00 -3.56 1.08 -1.94 -3.36 117.51 111.08 1iqy h ILE 290 Ca 0.00 -1.76 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 1iqy h ILE 290 Cb 0.08 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1iqy h ILE 290 CO 0.00 0.51 0.00 0.54 -0.69 0.00 0.00 178.15 178.51 1iqy n ARG 291 N -3.94 0.76 0.00 2.37 1.74 0.53 -4.84 116.66 113.28 1iqy n ARG 291 Ca -0.02 -0.18 0.04 0.00 -0.77 0.00 0.00 57.85 56.92 1iqy n ARG 291 Cb 0.54 -0.60 0.22 0.00 -1.02 0.00 0.00 32.46 31.59 1iqy n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1iqy n SER 292 N -0.16 0.00 -0.00 0.55 3.41 0.25 -1.52 113.62 116.15 1iqy n SER 292 Ca 0.00 0.10 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1iqy n SER 292 Cb 0.08 -0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 1iqy n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1iqy n TRP 293 N -1.24 0.00 -1.98 7.33 4.27 -1.26 -4.97 117.44 119.59 1iqy n TRP 293 Ca 0.04 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.23 1iqy n TRP 293 Cb 0.06 -0.06 -0.03 0.00 -1.36 0.00 0.00 31.31 29.92 1iqy n TRP 293 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1iqy s GLN 294 N -2.79 3.92 -0.29 -2.67 0.74 -0.58 -4.72 119.66 113.28 1iqy s GLN 294 Ca 0.05 2.00 0.03 0.00 0.05 0.00 0.00 55.36 57.49 1iqy s GLN 294 Cb 0.13 -4.06 0.20 0.00 1.10 0.00 0.00 33.01 30.38 1iqy s GLN 294 CO 0.74 -1.16 0.60 -0.80 -0.55 0.00 0.00 175.29 174.13 1iqy s ASN 295 N 4.29 -1.52 -0.22 6.67 0.01 -1.26 -2.75 114.94 120.16 1iqy s ASN 295 Ca 0.77 0.45 -0.14 0.00 -0.71 0.00 0.00 52.86 53.22 1iqy s ASN 295 Cb -0.31 2.07 -0.04 0.00 0.41 0.00 0.00 41.25 43.38 1iqy s ASN 295 CO 0.31 -0.28 0.31 -0.31 -1.51 0.00 0.00 177.10 175.62 1iqy s TYR 296 N 2.84 3.35 -0.91 2.20 2.02 -1.05 -4.87 117.35 120.92 1iqy s TYR 296 Ca 0.14 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.18 1iqy s TYR 296 Cb -0.12 -2.43 0.23 0.00 -0.40 0.00 0.00 41.96 39.24 1iqy s TYR 296 CO -0.24 0.01 0.88 -0.06 -1.57 0.00 0.00 175.55 174.58 1iqy s PHE 297 N 1.24 3.88 0.39 2.71 0.40 -1.26 0.07 117.98 125.41 1iqy s PHE 297 Ca 0.15 -2.16 0.13 0.00 -0.60 0.00 0.00 56.93 54.44 1iqy s PHE 297 Cb -0.14 -3.85 0.96 0.00 0.51 0.00 0.00 43.02 40.49 1iqy s PHE 297 CO 0.07 -1.00 1.88 -0.44 0.70 0.00 0.00 175.22 176.42 1iqy h ASP 298 N 7.51 0.51 0.02 1.36 5.19 -1.34 0.15 116.42 129.82 1iqy h ASP 298 Ca 0.13 0.04 -0.14 0.00 -0.62 0.00 0.00 57.03 56.44 1iqy h ASP 298 Cb 0.99 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1iqy h ASP 298 CO 0.84 0.25 -0.72 0.74 -3.12 0.00 0.00 179.24 177.22 1iqy h THR 299 N 0.54 1.33 -0.19 0.35 2.02 -1.85 -1.88 112.91 113.22 1iqy h THR 299 Ca 0.43 -2.29 -0.12 0.00 0.77 0.00 0.00 66.41 65.20 1iqy h THR 299 Cb 0.87 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.10 1iqy h THR 299 CO -0.17 0.50 -0.35 1.23 0.37 0.00 0.00 175.52 177.10 1iqy h GLY 300 N -0.85 0.63 0.62 2.16 0.00 -1.79 -2.48 103.07 101.36 1iqy h GLY 300 Ca -0.19 -0.73 -0.34 0.00 0.00 0.00 0.00 47.33 46.07 1iqy h GLY 300 CO -0.08 0.66 -1.98 1.18 0.00 0.00 0.00 176.54 176.32 1iqy n GLU 301 N -4.30 0.68 -0.01 4.80 1.02 0.50 -4.48 120.64 118.86 1iqy n GLU 301 Ca -0.06 0.23 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1iqy n GLU 301 Cb 0.50 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.11 1iqy n GLU 301 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1iqy n TYR 302 N -3.16 0.00 -2.45 -0.32 4.02 -1.17 -1.03 117.16 113.05 1iqy n TYR 302 Ca -0.27 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.60 1iqy n TYR 302 Cb 1.06 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1iqy n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1iqy n LEU 303 N -1.94 -6.57 0.16 7.72 4.77 -0.74 -4.83 117.00 115.57 1iqy n LEU 303 Ca -0.02 0.88 0.17 0.00 -0.03 0.00 0.00 56.01 57.00 1iqy n LEU 303 Cb 0.36 -2.80 0.76 0.00 -2.33 0.00 0.00 43.42 39.41 1iqy n LEU 303 CO 0.30 -2.25 1.15 -0.37 -1.33 0.00 0.00 177.39 174.89 1iqy h VAL 304 N 2.06 0.62 -0.44 4.08 -1.51 -1.43 -2.12 116.25 117.51 1iqy h VAL 304 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.39 1iqy h VAL 304 Cb 0.24 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 30.22 1iqy h VAL 304 CO 0.10 0.00 -0.05 1.23 -1.23 0.00 0.00 177.57 177.62 1iqy h GLY 305 N 0.00 0.81 2.00 5.19 0.00 -0.71 -2.90 103.07 107.46 1iqy h GLY 305 Ca 0.12 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1iqy h GLY 305 CO -0.00 0.52 -0.23 0.06 0.00 0.00 0.00 176.54 176.89 1iqy h GLN 306 N 0.69 0.00 -0.64 4.80 3.07 -0.83 -2.89 115.11 119.31 1iqy h GLN 306 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 1iqy h GLN 306 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1iqy h GLN 306 CO 0.03 0.23 0.00 0.66 0.09 0.00 0.00 178.83 179.83 1iqy n TYR 307 N -3.60 1.37 -1.87 0.06 4.01 -1.10 -4.96 117.16 111.07 1iqy n TYR 307 Ca -0.01 -0.52 -0.41 0.00 -0.16 0.00 0.00 57.90 56.80 1iqy n TYR 307 Cb 0.36 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1iqy n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1iqy s ALA 308 N -2.00 3.68 0.66 -0.72 0.00 -1.09 -2.25 121.76 120.04 1iqy s ALA 308 Ca 0.42 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 1iqy s ALA 308 Cb 0.29 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1iqy s ALA 308 CO 0.18 -0.89 1.05 -0.80 0.00 0.00 0.00 175.76 175.29 1iqy s ASN 309 N 0.37 5.86 -0.47 0.00 0.01 0.12 -4.94 114.94 115.89 1iqy s ASN 309 Ca 0.61 1.44 -0.19 0.00 -0.71 0.00 0.00 52.86 54.01 1iqy s ASN 309 Cb -0.45 -2.41 0.04 0.00 0.41 0.00 0.00 41.25 38.84 1iqy s ASN 309 CO 0.47 -1.11 0.59 -0.44 -1.51 0.00 0.00 177.10 175.10 1iqy s SER 310 N -4.08 6.24 -0.08 -1.22 0.01 -1.26 -4.29 113.70 109.02 1iqy s SER 310 Ca 0.56 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1iqy s SER 310 Cb -0.12 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1iqy s SER 310 CO 0.54 -0.80 1.31 -0.76 0.41 0.00 0.00 173.24 173.94 1iqy s LEU 311 N 2.57 4.26 0.07 2.44 1.43 0.03 -4.98 118.68 124.50 1iqy s LEU 311 Ca 0.16 1.87 -0.25 0.00 -1.03 0.00 0.00 54.13 54.88 1iqy s LEU 311 Cb -0.18 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 1iqy s LEU 311 CO 0.14 -0.71 0.77 -1.61 0.23 0.00 0.00 176.35 175.17 1iqy s GLU 312 N 2.88 4.51 0.20 1.70 0.41 -1.26 -4.85 118.70 122.29 1iqy s GLU 312 Ca 0.59 1.09 -0.31 0.00 -0.41 0.00 0.00 54.97 55.92 1iqy s GLU 312 Cb -0.26 -3.34 -0.10 0.00 -1.78 0.00 0.00 34.13 28.66 1iqy s GLU 312 CO 0.21 0.36 1.51 -1.17 -0.49 0.00 0.00 175.26 175.68 1iqy s LEU 313 N -0.33 4.37 0.00 1.80 2.96 -1.26 -1.10 118.68 125.13 1iqy s LEU 313 Ca 0.38 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 1iqy s LEU 313 Cb -0.21 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1iqy s LEU 313 CO 0.24 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 1iqy n GLY 314 N 3.12 2.50 0.12 7.98 0.00 -0.38 -4.74 105.19 113.80 1iqy n GLY 314 Ca 0.11 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1iqy n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqy n ASP 316 N -3.99 1.98 -3.85 0.00 8.00 -0.26 -4.87 116.55 113.56 1iqy n ASP 316 Ca -0.33 0.04 -0.27 0.00 0.71 0.00 0.00 54.79 54.95 1iqy n ASP 316 Cb 0.85 -0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 41.20 1iqy n ASP 316 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iqy s LEU 318 N 1.76 4.06 0.00 0.00 2.96 -1.26 -1.25 118.68 124.94 1iqy s LEU 318 Ca 0.02 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1iqy s LEU 318 Cb -0.14 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1iqy s LEU 318 CO -0.07 0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 1iqy n GLY 319 N 1.87 -0.14 3.43 7.98 0.00 -1.25 -4.82 105.19 112.26 1iqy n GLY 319 Ca -0.18 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 1iqy n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqy s ASP 320 N -4.00 6.18 -0.12 1.61 -1.08 -1.26 -4.94 116.67 113.06 1iqy s ASP 320 Ca 0.00 -1.14 -0.06 0.00 -0.52 0.00 0.00 52.55 50.83 1iqy s ASP 320 Cb 0.00 -2.38 -0.04 0.00 -1.46 0.00 0.00 42.92 39.04 1iqy s ASP 320 CO 0.00 -1.34 0.10 -0.63 0.52 0.00 0.00 175.17 173.83 1iqy s ILE 321 N 3.61 5.17 -0.18 4.11 -1.09 -1.26 -4.60 121.20 126.96 1iqy s ILE 321 Ca 0.19 0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1iqy s ILE 321 Cb -0.19 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 1iqy s ILE 321 CO 0.09 0.60 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.36 1iqy s THR 322 N -0.86 2.60 0.12 2.92 2.01 0.62 -4.96 115.64 118.10 1iqy s THR 322 Ca 0.14 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1iqy s THR 322 Cb -0.12 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1iqy s THR 322 CO 0.03 0.51 0.22 -0.31 -0.69 0.00 0.00 174.62 174.37 1iqy s TYR 323 N 1.10 3.40 -0.03 4.92 2.02 -1.26 -0.63 117.35 126.86 1iqy s TYR 323 Ca 0.00 0.12 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 1iqy s TYR 323 Cb -0.14 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.75 1iqy s TYR 323 CO -0.05 0.54 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.73 1iqy s LEU 324 N -2.95 2.03 -0.56 -1.29 1.43 -0.93 -4.99 118.68 111.41 1iqy s LEU 324 Ca 0.33 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1iqy s LEU 324 Cb -0.11 -1.20 0.14 0.00 0.03 0.00 0.00 46.19 45.04 1iqy s LEU 324 CO 0.27 0.25 0.32 -0.44 0.23 0.00 0.00 176.35 176.98 1iqy s SER 325 N -0.33 4.55 0.89 2.29 0.01 -1.26 -1.70 113.70 118.15 1iqy s SER 325 Ca 0.03 -3.08 -0.10 0.00 1.31 0.00 0.00 55.95 54.11 1iqy s SER 325 Cb -0.11 -1.68 0.13 0.00 0.21 0.00 0.00 66.02 64.57 1iqy s SER 325 CO 0.01 -0.24 1.14 -2.16 0.41 0.00 0.00 173.24 172.40 1iqy s PRO 326 N -0.38 1.20 -0.13 12.44 0.04 -1.22 -4.60 135.00 142.35 1iqy s PRO 326 Ca 0.18 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1iqy s PRO 326 Cb -0.23 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1iqy s PRO 326 CO -0.02 -2.49 -0.21 0.08 0.04 0.00 0.00 177.00 174.40 1iqy s VAL 327 N -2.67 1.98 0.49 -0.36 1.01 -1.26 -0.27 120.40 119.31 1iqy s VAL 327 Ca 0.66 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1iqy s VAL 327 Cb -0.22 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1iqy s VAL 327 CO 0.57 0.53 0.08 0.27 0.00 0.00 0.00 175.10 176.56 1iqy s ILE 328 N 0.82 1.51 0.03 2.22 -4.36 0.16 -4.84 121.20 116.75 1iqy s ILE 328 Ca -0.07 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1iqy s ILE 328 Cb -0.15 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 1iqy s ILE 328 CO -0.02 0.00 0.17 -0.55 0.24 0.00 0.00 174.94 174.79 1iqy s SER 329 N -3.91 6.20 0.63 4.36 0.15 -1.26 0.14 113.70 120.01 1iqy s SER 329 Ca 0.19 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 1iqy s SER 329 Cb 0.03 -1.89 0.05 0.00 -1.71 0.00 0.00 66.02 62.50 1iqy s SER 329 CO 0.11 0.22 0.35 -0.90 1.20 0.00 0.00 173.24 174.21 1iqy n ASP 330 N 0.66 0.32 0.26 5.45 3.85 0.15 -4.82 116.55 122.42 1iqy n ASP 330 Ca -0.08 -1.31 0.18 0.00 -0.71 0.00 0.00 54.79 52.87 1iqy n ASP 330 Cb 0.52 -0.24 0.89 0.00 -1.35 0.00 0.00 41.12 40.94 1iqy n ASP 330 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1iqy h ALA 331 N -0.88 1.00 -0.34 2.12 0.00 -1.88 -2.51 119.26 116.76 1iqy h ALA 331 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1iqy h ALA 331 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1iqy h ALA 331 CO 0.11 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.55 1iqy n PHE 332 N -2.76 0.62 -0.59 0.00 3.72 -1.26 0.53 117.46 117.73 1iqy n PHE 332 Ca -0.02 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 1iqy n PHE 332 Cb 0.11 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1iqy n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iqy n GLY 333 N 0.31 0.77 3.78 1.37 0.00 -0.95 -4.99 105.19 105.49 1iqy n GLY 333 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1iqy n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iqy s ASN 334 N -2.72 7.33 0.27 1.61 0.01 -1.26 -4.37 114.94 115.82 1iqy s ASN 334 Ca 0.00 1.59 -0.29 0.00 -0.71 0.00 0.00 52.86 53.45 1iqy s ASN 334 Cb 0.00 -2.48 -0.09 0.00 0.41 0.00 0.00 41.25 39.09 1iqy s ASN 334 CO 0.00 0.20 1.17 -2.16 -1.51 0.00 0.00 177.10 174.80 1iqy s PRO 335 N -1.23 4.54 -0.06 -0.60 0.04 -1.26 0.33 135.00 136.77 1iqy s PRO 335 Ca 0.36 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1iqy s PRO 335 Cb -0.22 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1iqy s PRO 335 CO 0.25 0.06 -0.12 0.50 0.04 0.00 0.00 177.00 177.73 1iqy s ARG 336 N -1.30 1.61 -0.10 4.56 3.52 0.37 -4.86 118.95 122.75 1iqy s ARG 336 Ca 0.47 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.55 1iqy s ARG 336 Cb -0.34 -1.35 -0.05 0.00 -1.56 0.00 0.00 34.95 31.65 1iqy s ARG 336 CO 0.43 0.04 0.28 -2.00 -0.81 0.00 0.00 175.30 173.24 1iqy s GLU 337 N 0.60 3.94 -0.85 5.12 2.12 -1.26 0.41 118.70 128.77 1iqy s GLU 337 Ca -0.13 0.12 -0.13 0.00 0.36 0.00 0.00 54.97 55.18 1iqy s GLU 337 Cb -0.15 -3.30 0.22 0.00 0.26 0.00 0.00 34.13 31.16 1iqy s GLU 337 CO 0.03 0.52 0.80 0.42 -0.54 0.00 0.00 175.26 176.49 1iqy s ILE 338 N -0.39 5.63 0.17 -3.70 1.01 0.63 -4.98 121.20 119.57 1iqy s ILE 338 Ca 0.18 -2.58 -0.31 0.00 0.00 0.00 0.00 60.65 57.93 1iqy s ILE 338 Cb -0.14 -4.47 -0.11 0.00 0.01 0.00 0.00 42.46 37.75 1iqy s ILE 338 CO 0.06 -1.04 1.78 -0.60 0.00 0.00 0.00 174.94 175.14 1iqy s ARG 339 N 0.01 4.13 -1.45 2.79 3.52 -1.26 -2.38 118.95 124.30 1iqy s ARG 339 Ca 0.19 2.61 -0.10 0.00 -0.13 0.00 0.00 55.73 58.30 1iqy s ARG 339 Cb -0.10 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 1iqy s ARG 339 CO -0.09 -0.80 0.94 0.09 -0.81 0.00 0.00 175.30 174.63 1iqy n ASN 340 N 4.85 -5.63 0.17 -2.12 3.02 -1.26 -4.23 115.26 110.06 1iqy n ASN 340 Ca 0.17 -0.55 0.13 0.00 -0.03 0.00 0.00 54.58 54.30 1iqy n ASN 340 Cb 0.37 -4.49 0.33 0.00 -0.61 0.00 0.00 39.78 35.38 1iqy n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1iqy h GLY 341 N -2.08 0.00 -5.63 7.41 0.00 -1.16 0.14 103.07 101.74 1iqy h GLY 341 Ca -0.55 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.32 1iqy h GLY 341 CO 0.60 0.00 -0.80 -0.42 0.00 0.00 0.00 176.54 175.92 1iqy s ILE 342 N -3.20 0.90 -0.15 2.60 1.01 -0.69 -4.50 121.20 117.17 1iqy s ILE 342 Ca 0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 1iqy s ILE 342 Cb 0.09 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1iqy s ILE 342 CO 0.61 0.28 0.01 0.00 0.00 0.00 0.00 174.94 175.84 1iqy s MET 344 N 0.09 1.08 0.13 0.00 -1.94 0.19 -1.58 119.30 117.28 1iqy s MET 344 Ca 0.02 -0.11 -0.25 0.00 -1.71 0.00 0.00 55.69 53.64 1iqy s MET 344 Cb -0.13 -1.20 0.07 0.00 2.01 0.00 0.00 34.83 35.57 1iqy s MET 344 CO 0.02 -0.22 0.87 -3.38 -0.01 0.00 0.00 175.02 172.30 1iqy s HIS 345 N 1.55 -0.23 -0.07 -0.03 -3.43 -0.95 -0.27 115.29 111.85 1iqy s HIS 345 Ca -0.00 -0.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.24 1iqy s HIS 345 Cb -0.13 0.62 -0.02 0.00 -1.43 0.00 0.00 32.58 31.61 1iqy s HIS 345 CO -0.04 -0.82 -0.15 -1.83 -2.00 0.00 0.00 174.74 169.90 1iqy s GLU 346 N -3.38 2.76 0.07 -0.38 -1.05 -1.26 0.77 118.70 116.22 1iqy s GLU 346 Ca 0.09 -0.71 0.06 0.00 -0.15 0.00 0.00 54.97 54.27 1iqy s GLU 346 Cb -0.02 -2.43 -0.03 0.00 -0.44 0.00 0.00 34.13 31.21 1iqy s GLU 346 CO -0.01 0.49 -0.17 -1.83 0.95 0.00 0.00 175.26 174.69 1iqy s GLU 347 N -0.38 1.01 0.46 -4.83 -1.05 -0.06 -4.93 118.70 108.91 1iqy s GLU 347 Ca 0.04 -0.96 -0.25 0.00 -0.15 0.00 0.00 54.97 53.65 1iqy s GLU 347 Cb -0.12 -1.11 -0.08 0.00 -0.44 0.00 0.00 34.13 32.38 1iqy s GLU 347 CO 0.02 0.26 1.43 0.34 0.95 0.00 0.00 175.26 178.27 1iqy s ASP 348 N -1.56 5.78 -0.34 0.83 2.15 -1.26 -1.64 116.67 120.63 1iqy s ASP 348 Ca 0.03 2.93 0.14 0.00 0.43 0.00 0.00 52.55 56.08 1iqy s ASP 348 Cb -0.09 -2.65 0.46 0.00 -0.30 0.00 0.00 42.92 40.33 1iqy s ASP 348 CO 0.02 -1.24 1.03 1.87 -0.17 0.00 0.00 175.17 176.69 1iqy n TRP 349 N -0.30 1.90 -4.73 -5.34 -0.00 -0.57 -4.81 117.44 103.59 1iqy n TRP 349 Ca 0.06 -2.74 0.00 0.00 -0.00 0.00 0.00 57.50 54.82 1iqy n TRP 349 Cb 0.42 -0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.46 1iqy n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iqy n GLY 350 N -0.30 1.14 3.73 5.87 0.00 -1.26 -4.28 105.19 110.08 1iqy n GLY 350 Ca 0.20 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1iqy n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqy s ILE 351 N 0.00 4.91 -0.20 -0.61 -1.09 -1.26 0.19 121.20 123.14 1iqy s ILE 351 Ca 0.00 1.56 -0.19 0.00 -2.23 0.00 0.00 60.65 59.80 1iqy s ILE 351 Cb 0.00 -4.09 -0.19 0.00 -1.58 0.00 0.00 42.46 36.60 1iqy s ILE 351 CO 0.00 0.29 0.17 -0.11 -1.23 0.00 0.00 174.94 174.06 1iqy n LEU 352 N 3.39 1.99 -3.68 2.97 7.94 0.11 -4.54 117.00 125.18 1iqy n LEU 352 Ca -0.01 0.38 -0.14 0.00 -1.11 0.00 0.00 56.01 55.12 1iqy n LEU 352 Cb 0.51 -0.97 -0.08 0.00 0.53 0.00 0.00 43.42 43.40 1iqy n LEU 352 CO 0.47 0.39 0.21 0.00 -1.11 0.00 0.00 177.39 177.36 1iqy s ALA 353 N -2.41 -1.28 -0.19 1.96 0.00 -1.14 -4.97 121.76 113.74 1iqy s ALA 353 Ca -0.29 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1iqy s ALA 353 Cb 0.07 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.69 1iqy s ALA 353 CO 0.60 -0.27 0.47 0.21 0.00 0.00 0.00 175.76 176.78 1iqy s LYS 354 N -0.24 0.50 -0.23 0.00 2.20 -1.26 -0.95 119.74 119.76 1iqy s LYS 354 Ca -0.04 0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 56.26 1iqy s LYS 354 Cb -0.03 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.48 1iqy s LYS 354 CO 0.03 -0.12 0.54 -1.58 -0.36 0.00 0.00 175.35 173.85 1iqy s HIS 355 N 0.98 -0.90 -0.40 4.03 2.46 0.54 -5.00 115.29 117.00 1iqy s HIS 355 Ca -0.06 1.76 -0.05 0.00 0.47 0.00 0.00 55.06 57.18 1iqy s HIS 355 Cb -0.06 0.47 0.09 0.00 -0.13 0.00 0.00 32.58 32.95 1iqy s HIS 355 CO -0.08 -0.48 0.19 -1.12 -2.47 0.00 0.00 174.74 170.78 1iqy s SER 356 N 1.94 5.34 -0.21 9.88 0.01 -1.26 0.16 113.70 129.56 1iqy s SER 356 Ca -0.08 -1.72 -0.16 0.00 1.31 0.00 0.00 55.95 55.31 1iqy s SER 356 Cb -0.09 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 1iqy s SER 356 CO -0.16 -0.50 0.40 -0.62 0.41 0.00 0.00 173.24 172.77 1iqy s ASP 357 N 1.87 6.41 0.04 2.44 -1.08 -0.22 -5.00 116.67 121.12 1iqy s ASP 357 Ca 0.04 0.48 -0.32 0.00 -0.52 0.00 0.00 52.55 52.23 1iqy s ASP 357 Cb -0.22 -2.23 -0.18 0.00 -1.46 0.00 0.00 42.92 38.83 1iqy s ASP 357 CO -0.01 -0.10 1.36 0.25 0.52 0.00 0.00 175.17 177.19 1iqy h LEU 358 N 7.81 -0.95 -1.28 -1.34 5.85 -1.95 -0.47 115.31 122.98 1iqy h LEU 358 Ca -0.35 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.49 1iqy h LEU 358 Cb 1.16 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.38 1iqy h LEU 358 CO 0.71 -0.61 0.54 -0.50 -0.34 0.00 0.00 178.44 178.24 1iqy h TRP 359 N -1.27 0.87 0.00 1.25 6.55 -1.98 -2.79 115.95 118.58 1iqy h TRP 359 Ca -0.12 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.66 1iqy h TRP 359 Cb 0.87 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.87 1iqy h TRP 359 CO -0.00 0.41 -1.66 -1.13 -1.05 0.00 0.00 178.44 175.01 1iqy n SER 360 N -4.51 0.41 0.00 -3.49 3.41 -1.24 -4.97 113.62 103.23 1iqy n SER 360 Ca 0.14 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1iqy n SER 360 Cb 0.30 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1iqy n SER 360 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqy n GLY 361 N 1.33 0.85 3.69 5.00 0.00 -0.19 -4.99 105.19 110.88 1iqy n GLY 361 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1iqy n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqy s ILE 362 N -3.47 4.98 -0.26 -0.61 1.01 -1.23 -4.89 121.20 116.73 1iqy s ILE 362 Ca 0.00 1.50 -0.03 0.00 0.00 0.00 0.00 60.65 62.12 1iqy s ILE 362 Cb 0.00 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1iqy s ILE 362 CO 0.00 0.15 -0.03 0.20 0.00 0.00 0.00 174.94 175.26 1iqy s ASN 363 N 0.99 4.51 -0.10 3.58 0.01 -1.26 -1.06 114.94 121.61 1iqy s ASN 363 Ca 0.37 -0.84 0.04 0.00 -0.71 0.00 0.00 52.86 51.73 1iqy s ASN 363 Cb -0.17 -1.71 -0.00 0.00 0.41 0.00 0.00 41.25 39.77 1iqy s ASN 363 CO 0.16 -0.14 -0.23 -0.47 -1.51 0.00 0.00 177.10 174.90 1iqy s TYR 364 N 1.36 2.56 -0.07 2.20 6.14 0.12 -4.99 117.35 124.68 1iqy s TYR 364 Ca 0.01 -0.99 -0.04 0.00 0.64 0.00 0.00 57.07 56.69 1iqy s TYR 364 Cb -0.17 -1.70 0.03 0.00 0.42 0.00 0.00 41.96 40.54 1iqy s TYR 364 CO -0.03 -0.39 0.17 0.99 0.64 0.00 0.00 175.55 176.93 1iqy s THR 365 N 0.28 -0.04 0.04 4.34 2.01 -1.26 -0.34 115.64 120.67 1iqy s THR 365 Ca -0.17 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1iqy s THR 365 Cb -0.17 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1iqy s THR 365 CO 0.08 0.05 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.79 1iqy s ARG 366 N 0.94 0.96 0.07 4.92 1.81 -0.12 -4.87 118.95 122.65 1iqy s ARG 366 Ca -0.07 -0.75 -0.04 0.00 -1.72 0.00 0.00 55.73 53.15 1iqy s ARG 366 Cb -0.09 -0.96 -0.05 0.00 -0.45 0.00 0.00 34.95 33.40 1iqy s ARG 366 CO -0.05 0.24 0.28 1.03 -0.68 0.00 0.00 175.30 176.12 1iqy s ARG 367 N -1.09 3.55 0.53 3.54 0.52 -1.26 0.05 118.95 124.78 1iqy s ARG 367 Ca 0.02 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1iqy s ARG 367 Cb -0.08 -2.99 0.03 0.00 0.52 0.00 0.00 34.95 32.43 1iqy s ARG 367 CO 0.01 0.58 0.75 1.21 0.02 0.00 0.00 175.30 177.87 1iqy s ASN 368 N -2.19 5.36 0.01 0.23 3.04 0.13 -4.48 114.94 117.03 1iqy s ASN 368 Ca 0.34 -0.00 -0.22 0.00 0.04 0.00 0.00 52.86 53.02 1iqy s ASN 368 Cb -0.13 -0.94 0.05 0.00 -1.54 0.00 0.00 41.25 38.69 1iqy s ASN 368 CO 0.23 -1.07 0.49 -0.13 -3.04 0.00 0.00 177.10 173.58 1iqy s ARG 369 N -4.71 0.93 -0.01 0.43 0.52 -1.26 -1.51 118.95 113.34 1iqy s ARG 369 Ca 0.56 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.67 1iqy s ARG 369 Cb -0.10 0.43 0.01 0.00 0.52 0.00 0.00 34.95 35.80 1iqy s ARG 369 CO 0.38 -0.31 -0.02 -0.98 0.02 0.00 0.00 175.30 174.39 1iqy s ARG 370 N -1.84 0.29 0.02 3.54 1.70 -0.65 -2.96 118.95 119.05 1iqy s ARG 370 Ca -0.09 -0.06 -0.22 0.00 -0.47 0.00 0.00 55.73 54.89 1iqy s ARG 370 Cb -0.02 -0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 33.98 1iqy s ARG 370 CO 0.03 0.01 0.66 1.41 -1.08 0.00 0.00 175.30 176.32 1iqy s MET 371 N 0.24 4.38 -0.10 3.89 -2.45 0.32 -0.89 119.30 124.70 1iqy s MET 371 Ca -0.02 0.85 0.03 0.00 -1.25 0.00 0.00 55.69 55.30 1iqy s MET 371 Cb -0.05 -3.35 -0.01 0.00 1.25 0.00 0.00 34.83 32.68 1iqy s MET 371 CO -0.01 0.35 -0.19 0.08 1.05 0.00 0.00 175.02 176.30 1iqy s VAL 372 N -0.19 2.53 -0.23 10.11 1.01 0.23 -1.92 120.40 131.95 1iqy s VAL 372 Ca 0.34 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1iqy s VAL 372 Cb -0.19 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.25 1iqy s VAL 372 CO 0.19 0.55 -0.05 -0.63 0.00 0.00 0.00 175.10 175.16 1iqy s ILE 373 N 0.15 1.49 0.10 2.22 -1.09 -0.23 -2.23 121.20 121.60 1iqy s ILE 373 Ca -0.10 -1.18 -0.01 0.00 -2.23 0.00 0.00 60.65 57.13 1iqy s ILE 373 Cb -0.16 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1iqy s ILE 373 CO 0.06 -0.09 0.01 -0.94 -1.23 0.00 0.00 174.94 172.75 1iqy s SER 374 N 1.41 0.48 0.06 3.58 1.04 -0.61 -0.94 113.70 118.72 1iqy s SER 374 Ca -0.05 -1.10 -0.13 0.00 0.48 0.00 0.00 55.95 55.14 1iqy s SER 374 Cb -0.19 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1iqy s SER 374 CO -0.06 -0.65 0.30 0.72 0.98 0.00 0.00 173.24 174.53 1iqy s PHE 375 N -3.95 -0.08 -0.06 5.02 -0.71 -0.84 -0.78 117.98 116.59 1iqy s PHE 375 Ca 0.16 -0.13 0.05 0.00 -1.04 0.00 0.00 56.93 55.97 1iqy s PHE 375 Cb 0.08 0.09 -0.00 0.00 -1.21 0.00 0.00 43.02 41.98 1iqy s PHE 375 CO -0.04 -0.54 -0.20 0.12 -1.34 0.00 0.00 175.22 173.23 1iqy s PHE 376 N -2.92 2.00 0.25 3.49 2.19 -1.26 -0.64 117.98 121.09 1iqy s PHE 376 Ca -0.02 -0.63 0.11 0.00 0.33 0.00 0.00 56.93 56.72 1iqy s PHE 376 Cb 0.00 -1.34 -0.05 0.00 -1.31 0.00 0.00 43.02 40.33 1iqy s PHE 376 CO -0.06 -0.22 -0.20 -0.08 1.83 0.00 0.00 175.22 176.49 1iqy s THR 377 N 0.08 2.33 -0.12 0.12 -1.32 0.48 0.14 115.64 117.35 1iqy s THR 377 Ca -0.07 -2.29 -0.00 0.00 -1.21 0.00 0.00 61.69 58.12 1iqy s THR 377 Cb -0.13 -2.21 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 1iqy s THR 377 CO 0.04 -0.36 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.11 1iqy s THR 378 N -2.38 1.11 -0.48 5.08 2.01 -0.95 -0.99 115.64 119.04 1iqy s THR 378 Ca 0.27 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1iqy s THR 378 Cb -0.05 -1.11 0.13 0.00 0.01 0.00 0.00 72.50 71.49 1iqy s THR 378 CO 0.13 0.38 0.26 -0.63 -0.69 0.00 0.00 174.62 174.06 1iqy s ILE 379 N 1.65 1.91 0.00 1.82 1.09 -1.26 -4.78 121.20 121.63 1iqy s ILE 379 Ca 0.04 -2.93 0.00 0.00 -1.10 0.00 0.00 60.65 56.67 1iqy s ILE 379 Cb -0.13 -2.33 0.00 0.00 -1.06 0.00 0.00 42.46 38.94 1iqy s ILE 379 CO -0.08 -0.87 0.00 0.61 -0.10 0.00 0.00 174.94 174.50 1iqy n GLY 380 N 3.30 2.61 1.21 6.18 0.00 -1.26 -4.82 105.19 112.42 1iqy n GLY 380 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1iqy n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqy n ASN 381 N 9.63 3.58 -3.64 1.61 6.94 -1.26 -4.98 115.26 127.14 1iqy n ASN 381 Ca 0.00 -2.23 -0.05 0.00 -0.02 0.00 0.00 54.58 52.27 1iqy n ASN 381 Cb 0.00 -0.65 -0.07 0.00 -2.36 0.00 0.00 39.78 36.70 1iqy n ASN 381 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1iqy s ASP 383 N 0.95 -0.29 -0.03 0.53 1.11 -1.00 -0.56 116.67 117.38 1iqy s ASP 383 Ca 0.06 0.54 0.02 0.00 0.18 0.00 0.00 52.55 53.34 1iqy s ASP 383 Cb 0.05 0.64 0.01 0.00 1.07 0.00 0.00 42.92 44.69 1iqy s ASP 383 CO 0.01 -0.09 -0.06 -0.31 1.18 0.00 0.00 175.17 175.90 1iqy s TYR 384 N 0.32 0.76 -0.15 4.23 2.02 -0.16 -1.22 117.35 123.14 1iqy s TYR 384 Ca 0.03 -0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.48 1iqy s TYR 384 Cb -0.05 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 1iqy s TYR 384 CO -0.11 -0.12 0.04 0.20 -1.57 0.00 0.00 175.55 173.99 1iqy s GLY 385 N 0.45 1.89 -0.23 0.71 0.00 0.40 -0.39 107.32 110.15 1iqy s GLY 385 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.86 1iqy s GLY 385 CO 0.00 -0.12 -0.03 -1.36 0.00 0.00 0.00 173.10 171.59 1iqy s PHE 386 N 0.00 2.98 -0.09 1.90 0.40 0.19 -0.74 117.98 122.63 1iqy s PHE 386 Ca 0.05 -0.93 0.03 0.00 -0.60 0.00 0.00 56.93 55.48 1iqy s PHE 386 Cb -0.12 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.29 1iqy s PHE 386 CO 0.01 -0.54 -0.19 0.71 0.70 0.00 0.00 175.22 175.91 1iqy s TYR 387 N 1.48 2.10 -0.09 0.36 1.51 -0.14 -1.99 117.35 120.58 1iqy s TYR 387 Ca 0.05 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.30 1iqy s TYR 387 Cb -0.15 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1iqy s TYR 387 CO -0.03 -0.36 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.32 1iqy s TRP 388 N 0.47 2.70 -0.03 2.71 0.52 -0.12 -0.94 118.94 124.25 1iqy s TRP 388 Ca -0.17 -0.53 0.04 0.00 0.02 0.00 0.00 56.10 55.45 1iqy s TRP 388 Cb -0.17 -1.73 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1iqy s TRP 388 CO 0.07 -0.10 -0.14 0.71 0.02 0.00 0.00 176.95 177.50 1iqy s TYR 389 N -0.07 1.42 -0.12 -1.98 2.02 0.37 -1.07 117.35 117.93 1iqy s TYR 389 Ca -0.03 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 1iqy s TYR 389 Cb -0.14 -0.97 -0.00 0.00 -0.40 0.00 0.00 41.96 40.45 1iqy s TYR 389 CO 0.04 -0.12 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.17 1iqy s LEU 390 N 0.03 2.22 0.14 -1.29 1.43 -0.81 -1.15 118.68 119.26 1iqy s LEU 390 Ca -0.02 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1iqy s LEU 390 Cb -0.10 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1iqy s LEU 390 CO 0.01 0.14 0.09 -0.31 0.23 0.00 0.00 176.35 176.51 1iqy s TYR 391 N 0.47 3.08 0.34 0.29 2.02 -0.26 -0.52 117.35 122.77 1iqy s TYR 391 Ca -0.14 -0.02 0.12 0.00 -0.37 0.00 0.00 57.07 56.65 1iqy s TYR 391 Cb -0.17 -1.51 0.92 0.00 -0.40 0.00 0.00 41.96 40.80 1iqy s TYR 391 CO 0.06 0.51 1.76 -0.07 -1.57 0.00 0.00 175.55 176.24 1iqy h LEU 392 N 2.74 0.63 0.00 -1.29 3.38 -1.86 -0.76 115.31 118.15 1iqy h LEU 392 Ca -0.47 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1iqy h LEU 392 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1iqy h LEU 392 CO 0.62 0.15 0.00 -0.90 0.09 0.00 0.00 178.44 178.40 1iqy n ASP 393 N -4.76 0.00 0.00 -0.43 5.75 -1.26 -4.73 116.55 111.11 1iqy n ASP 393 Ca 0.25 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 1iqy n ASP 393 Cb 0.74 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 1iqy n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iqy n GLY 394 N 0.78 0.55 3.76 6.12 0.00 -0.29 -4.77 105.19 111.34 1iqy n GLY 394 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1iqy n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqy s THR 395 N -2.14 3.69 -0.09 2.61 2.01 -1.25 -4.39 115.64 116.08 1iqy s THR 395 Ca 0.00 1.60 0.04 0.00 0.31 0.00 0.00 61.69 63.65 1iqy s THR 395 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1iqy s THR 395 CO 0.00 0.31 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.38 1iqy s ILE 396 N -1.29 2.20 0.02 1.82 1.01 -0.02 -1.10 121.20 123.84 1iqy s ILE 396 Ca 0.47 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1iqy s ILE 396 Cb -0.28 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1iqy s ILE 396 CO 0.36 0.56 -0.04 -0.70 0.00 0.00 0.00 174.94 175.12 1iqy s GLU 397 N 0.13 0.33 0.01 2.79 2.12 -0.30 0.42 118.70 124.20 1iqy s GLU 397 Ca -0.12 -0.52 0.07 0.00 0.36 0.00 0.00 54.97 54.77 1iqy s GLU 397 Cb -0.16 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1iqy s GLU 397 CO 0.07 -0.00 -0.23 0.12 -0.54 0.00 0.00 175.26 174.67 1iqy s PHE 398 N -1.10 2.01 -0.07 5.30 5.36 -0.84 -0.48 117.98 128.16 1iqy s PHE 398 Ca -0.11 -0.38 -0.03 0.00 -0.96 0.00 0.00 56.93 55.45 1iqy s PHE 398 Cb -0.08 -1.26 0.04 0.00 -0.34 0.00 0.00 43.02 41.38 1iqy s PHE 398 CO -0.00 0.02 0.13 -2.00 -1.46 0.00 0.00 175.22 171.91 1iqy s GLU 399 N -0.79 0.06 -0.13 10.12 2.12 -0.12 -2.57 118.70 127.39 1iqy s GLU 399 Ca 0.09 0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.78 1iqy s GLU 399 Cb -0.09 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 1iqy s GLU 399 CO 0.00 -0.21 0.05 0.00 -0.54 0.00 0.00 175.26 174.56 1iqy s ALA 400 N 1.51 3.44 -0.20 6.30 0.00 -0.20 -0.96 121.76 131.63 1iqy s ALA 400 Ca -0.05 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1iqy s ALA 400 Cb -0.12 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.30 1iqy s ALA 400 CO -0.05 0.45 -0.16 0.15 0.00 0.00 0.00 175.76 176.15 1iqy s LYS 401 N -0.47 2.88 -0.25 0.00 1.02 0.08 -2.21 119.74 120.79 1iqy s LYS 401 Ca 0.10 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 1iqy s LYS 401 Cb -0.12 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1iqy s LYS 401 CO 0.02 -0.29 0.15 0.00 -0.92 0.00 0.00 175.35 174.31 1iqy s ALA 402 N 1.28 3.50 0.00 5.17 0.00 -0.08 -0.46 121.76 131.18 1iqy s ALA 402 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1iqy s ALA 402 Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1iqy s ALA 402 CO -0.10 -0.32 0.00 2.41 0.00 0.00 0.00 175.76 177.75 1iqy n THR 403 N 4.57 0.00 0.00 0.00 -1.04 -0.36 -1.60 114.28 115.85 1iqy n THR 403 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1iqy n THR 403 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1iqy n THR 403 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1iqy n GLY 404 N 0.94 -1.05 3.35 3.41 0.00 -1.26 -2.37 105.19 108.21 1iqy n GLY 404 Ca 0.00 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1iqy n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iqy s VAL 405 N 0.00 2.40 0.65 1.61 1.01 0.27 -1.72 120.40 124.63 1iqy s VAL 405 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1iqy s VAL 405 Cb 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 1iqy s VAL 405 CO 0.00 0.58 1.22 0.68 0.00 0.00 0.00 175.10 177.58 1iqy s VAL 406 N -0.44 2.41 -0.24 2.92 -7.23 -1.26 -4.73 120.40 111.83 1iqy s VAL 406 Ca 0.05 0.23 -0.26 0.00 -1.81 0.00 0.00 61.98 60.19 1iqy s VAL 406 Cb -0.12 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1iqy s VAL 406 CO 0.01 -0.08 0.89 0.12 -0.31 0.00 0.00 175.10 175.74 1iqy s PHE 407 N -1.71 3.31 0.47 2.82 5.36 -1.26 -4.98 117.98 121.98 1iqy s PHE 407 Ca 0.77 1.23 0.06 0.00 -0.96 0.00 0.00 56.93 58.03 1iqy s PHE 407 Cb -0.31 -3.13 0.02 0.00 -0.34 0.00 0.00 43.02 39.26 1iqy s PHE 407 CO 0.39 -0.43 0.65 0.95 -1.46 0.00 0.00 175.22 175.31 1iqy s THR 408 N 2.97 2.87 0.06 0.12 -4.23 -1.26 -4.10 115.64 112.05 1iqy s THR 408 Ca 0.38 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1iqy s THR 408 Cb -0.15 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.71 1iqy s THR 408 CO 0.07 0.00 0.10 -1.54 -0.54 0.00 0.00 174.62 172.71 1iqy n SER 409 N -2.03 -0.29 -4.89 3.99 3.41 -0.71 -4.89 113.62 108.21 1iqy n SER 409 Ca 0.08 -1.27 -0.32 0.00 -0.26 0.00 0.00 58.87 57.10 1iqy n SER 409 Cb 0.59 0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.99 1iqy n SER 409 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iqy s ALA 410 N -1.47 3.75 -0.30 7.33 0.00 -1.26 -1.21 121.76 128.60 1iqy s ALA 410 Ca 0.04 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.32 1iqy s ALA 410 Cb -0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 1iqy s ALA 410 CO 0.03 0.63 0.55 0.12 0.00 0.00 0.00 175.76 177.09 1iqy s PHE 411 N -1.64 3.22 0.37 0.00 5.36 0.21 -4.27 117.98 121.23 1iqy s PHE 411 Ca 0.40 0.49 -0.26 0.00 -0.96 0.00 0.00 56.93 56.61 1iqy s PHE 411 Cb -0.12 -2.86 -0.12 0.00 -0.34 0.00 0.00 43.02 39.57 1iqy s PHE 411 CO 0.23 -0.42 1.03 -2.30 -1.46 0.00 0.00 175.22 172.30 1iqy n PRO 412 N 5.71 1.42 -2.37 10.12 -0.02 -1.26 -4.82 135.00 143.78 1iqy n PRO 412 Ca -0.03 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1iqy n PRO 412 Cb 0.49 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1iqy n PRO 412 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1iqy s GLU 413 N -1.84 4.36 0.00 -0.52 2.12 -1.26 -2.03 118.70 119.53 1iqy s GLU 413 Ca 0.61 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.74 1iqy s GLU 413 Cb -0.60 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1iqy s GLU 413 CO 0.59 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 1iqy n GLY 414 N 3.40 0.73 2.56 -1.50 0.00 -1.26 -4.98 105.19 104.14 1iqy n GLY 414 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1iqy n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqy n GLY 415 N -1.95 -2.31 3.48 -0.02 0.00 -0.86 -5.04 105.19 98.49 1iqy n GLY 415 Ca 0.00 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 1iqy n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iqy s SER 416 N -2.69 -0.58 0.00 1.61 0.15 -1.26 -4.57 113.70 106.35 1iqy s SER 416 Ca 0.00 0.84 0.25 0.00 0.70 0.00 0.00 55.95 57.75 1iqy s SER 416 Cb 0.00 0.80 0.55 0.00 -1.71 0.00 0.00 66.02 65.66 1iqy s SER 416 CO 0.00 -0.42 1.44 0.47 1.20 0.00 0.00 173.24 175.92 1iqy n ASP 417 N 1.71 1.26 0.00 5.45 8.00 -1.26 -4.23 116.55 127.49 1iqy n ASP 417 Ca -0.17 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1iqy n ASP 417 Cb 0.56 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1iqy n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iqy n ASN 418 N -0.53 0.80 -3.80 -2.24 4.13 -1.26 -5.06 115.26 107.31 1iqy n ASN 418 Ca 0.11 -1.40 -0.12 0.00 1.68 0.00 0.00 54.58 54.85 1iqy n ASN 418 Cb 0.38 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.52 1iqy n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1iqy s ILE 419 N -0.40 0.04 0.05 2.41 1.01 -1.26 -1.32 121.20 121.74 1iqy s ILE 419 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1iqy s ILE 419 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 1iqy s ILE 419 CO 0.00 -0.20 -0.22 -0.94 0.00 0.00 0.00 174.94 173.58 1iqy s SER 420 N -0.79 3.53 -0.01 3.58 1.04 -0.28 -4.46 113.70 116.31 1iqy s SER 420 Ca -0.09 -0.52 -0.28 0.00 0.48 0.00 0.00 55.95 55.54 1iqy s SER 420 Cb -0.05 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 1iqy s SER 420 CO 0.02 0.25 0.90 -1.58 0.98 0.00 0.00 173.24 173.81 1iqy s GLN 421 N -1.43 4.53 -0.15 4.02 0.74 -1.26 -0.32 119.66 125.79 1iqy s GLN 421 Ca 0.14 1.28 0.12 0.00 0.05 0.00 0.00 55.36 56.94 1iqy s GLN 421 Cb -0.10 -3.45 -0.17 0.00 1.10 0.00 0.00 33.01 30.38 1iqy s GLN 421 CO 0.04 0.00 0.04 1.28 -0.55 0.00 0.00 175.29 176.10 1iqy n LEU 422 N 3.77 0.20 -3.85 3.68 4.77 -0.14 -4.50 117.00 120.93 1iqy n LEU 422 Ca 0.04 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1iqy n LEU 422 Cb 0.51 0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 1iqy n LEU 422 CO 0.51 0.39 0.48 0.00 -1.33 0.00 0.00 177.39 177.43 1iqy s ALA 423 N -2.35 -1.06 -0.14 -1.18 0.00 -1.23 -4.79 121.76 111.01 1iqy s ALA 423 Ca -0.08 -0.44 -0.33 0.00 0.00 0.00 0.00 51.96 51.11 1iqy s ALA 423 Cb 0.04 0.81 -0.10 0.00 0.00 0.00 0.00 23.12 23.88 1iqy s ALA 423 CO 0.58 -1.02 2.01 -2.30 0.00 0.00 0.00 175.76 175.03 1iqy n PRO 424 N -0.48 2.05 -0.29 0.00 -0.02 -1.26 -1.27 135.00 133.73 1iqy n PRO 424 Ca -0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1iqy n PRO 424 Cb 0.59 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1iqy n PRO 424 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqy n GLY 425 N 5.04 2.14 3.70 -1.23 0.00 -1.26 -4.64 105.19 108.94 1iqy n GLY 425 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1iqy n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iqy s LEU 426 N 0.00 4.18 0.35 0.99 2.96 -0.40 -0.62 118.68 126.14 1iqy s LEU 426 Ca 0.00 0.33 0.09 0.00 -0.22 0.00 0.00 54.13 54.33 1iqy s LEU 426 Cb 0.00 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 1iqy s LEU 426 CO 0.00 0.07 0.00 -0.83 -1.32 0.00 0.00 176.35 174.27 1iqy s GLY 427 N 0.73 2.14 -0.23 7.98 0.00 -0.35 -0.97 107.32 116.62 1iqy s GLY 427 Ca 0.13 -2.02 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 1iqy s GLY 427 CO 0.04 -1.94 0.10 0.00 0.00 0.00 0.00 173.10 171.29 1iqy s ALA 428 N -2.55 0.66 0.52 3.20 0.00 0.56 -1.74 121.76 122.40 1iqy s ALA 428 Ca 0.35 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 1iqy s ALA 428 Cb 0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1iqy s ALA 428 CO 0.19 -1.39 1.38 -2.14 0.00 0.00 0.00 175.76 173.80 1iqy s PRO 429 N 2.05 3.32 0.44 0.00 0.02 -1.26 -1.13 135.00 138.44 1iqy s PRO 429 Ca 0.05 2.29 -0.24 0.00 0.02 0.00 0.00 61.00 63.12 1iqy s PRO 429 Cb -0.16 -2.39 -0.08 0.00 0.02 0.00 0.00 34.50 31.90 1iqy s PRO 429 CO -0.21 -1.07 1.20 -0.06 -0.33 0.00 0.00 177.00 176.53 1iqy s PHE 430 N -1.27 2.87 0.38 6.54 0.08 -0.43 -4.80 117.98 121.34 1iqy s PHE 430 Ca 0.68 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 59.09 1iqy s PHE 430 Cb -0.41 -3.46 0.05 0.00 -0.57 0.00 0.00 43.02 38.63 1iqy s PHE 430 CO 0.50 -1.65 0.77 -3.38 -0.10 0.00 0.00 175.22 171.37 1iqy s HIS 431 N -1.45 0.13 0.08 0.36 -3.43 -0.98 0.29 115.29 110.29 1iqy s HIS 431 Ca 0.62 -0.78 0.01 0.00 -0.80 0.00 0.00 55.06 54.11 1iqy s HIS 431 Cb -0.31 0.80 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 1iqy s HIS 431 CO 0.39 -1.53 -0.06 -0.65 -2.00 0.00 0.00 174.74 170.89 1iqy s GLN 432 N -2.46 0.76 -0.29 -0.38 -0.21 -0.53 0.09 119.66 116.64 1iqy s GLN 432 Ca 0.16 -1.26 0.01 0.00 0.02 0.00 0.00 55.36 54.29 1iqy s GLN 432 Cb -0.05 -0.11 0.09 0.00 1.00 0.00 0.00 33.01 33.93 1iqy s GLN 432 CO 0.11 -0.03 0.03 -1.01 -2.12 0.00 0.00 175.29 172.27 1iqy s HIS 433 N -3.52 2.58 -0.17 0.91 3.76 -0.21 -3.14 115.29 115.51 1iqy s HIS 433 Ca 0.09 -2.14 -0.02 0.00 -0.15 0.00 0.00 55.06 52.84 1iqy s HIS 433 Cb 0.05 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 1iqy s HIS 433 CO -0.06 -0.86 -0.09 0.42 -0.85 0.00 0.00 174.74 173.30 1iqy s ILE 434 N 1.32 3.24 0.26 0.60 1.01 0.52 -0.44 121.20 127.72 1iqy s ILE 434 Ca 0.05 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.20 1iqy s ILE 434 Cb -0.18 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1iqy s ILE 434 CO -0.13 0.49 0.18 -0.36 0.00 0.00 0.00 174.94 175.11 1iqy s PHE 435 N 0.76 3.02 -0.11 3.97 0.40 0.75 -0.33 117.98 126.45 1iqy s PHE 435 Ca -0.04 -0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1iqy s PHE 435 Cb -0.15 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 41.99 1iqy s PHE 435 CO 0.02 0.49 -0.00 0.45 0.70 0.00 0.00 175.22 176.87 1iqy s SER 436 N -3.84 2.09 -0.23 1.36 0.15 -0.67 -1.41 113.70 111.15 1iqy s SER 436 Ca 0.34 -0.34 -0.13 0.00 0.70 0.00 0.00 55.95 56.52 1iqy s SER 436 Cb -0.07 -0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 1iqy s SER 436 CO 0.24 -0.21 0.25 0.00 1.20 0.00 0.00 173.24 174.73 1iqy s ALA 437 N 1.88 3.59 -0.30 5.45 0.00 0.10 -0.87 121.76 131.61 1iqy s ALA 437 Ca 0.03 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1iqy s ALA 437 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1iqy s ALA 437 CO -0.07 -0.28 0.25 0.50 0.00 0.00 0.00 175.76 176.16 1iqy s ARG 438 N 1.26 3.79 -0.33 0.00 3.52 0.22 -1.09 118.95 126.32 1iqy s ARG 438 Ca 0.12 -0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 1iqy s ARG 438 Cb -0.14 -3.72 0.09 0.00 -1.56 0.00 0.00 34.95 29.62 1iqy s ARG 438 CO 0.06 -0.30 0.03 -0.51 -0.81 0.00 0.00 175.30 173.77 1iqy s LEU 439 N 1.83 4.44 -0.81 -0.88 1.43 0.67 -1.44 118.68 123.92 1iqy s LEU 439 Ca 0.08 -1.87 -0.25 0.00 -1.03 0.00 0.00 54.13 51.07 1iqy s LEU 439 Cb -0.16 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1iqy s LEU 439 CO 0.11 -0.35 1.25 -0.62 0.23 0.00 0.00 176.35 176.97 1iqy s ASP 440 N 1.12 6.28 0.29 2.29 2.15 0.36 0.04 116.67 129.21 1iqy s ASP 440 Ca 0.04 -0.92 -0.29 0.00 0.43 0.00 0.00 52.55 51.81 1iqy s ASP 440 Cb -0.20 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 39.80 1iqy s ASP 440 CO -0.06 -1.62 1.23 -0.04 -0.17 0.00 0.00 175.17 174.50 1iqy s MET 441 N 5.00 4.47 -0.38 4.34 -1.94 -1.00 0.52 119.30 130.31 1iqy s MET 441 Ca 0.35 2.04 0.12 0.00 -1.71 0.00 0.00 55.69 56.49 1iqy s MET 441 Cb -0.08 -3.13 0.37 0.00 2.01 0.00 0.00 34.83 34.01 1iqy s MET 441 CO 0.06 -0.04 0.92 0.00 -0.01 0.00 0.00 175.02 175.94 1iqy n ALA 442 N 1.19 1.71 -1.88 3.03 0.00 -0.55 -4.51 120.51 119.51 1iqy n ALA 442 Ca 0.00 -2.76 -0.40 0.00 0.00 0.00 0.00 53.44 50.29 1iqy n ALA 442 Cb 0.43 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1iqy n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1iqy s ILE 443 N -1.81 3.28 -1.42 0.00 -1.09 -1.11 -2.19 121.20 116.86 1iqy s ILE 443 Ca 0.32 0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.90 1iqy s ILE 443 Cb 0.37 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 1iqy s ILE 443 CO -0.05 -0.48 0.49 0.47 -1.23 0.00 0.00 174.94 174.14 1iqy n ASP 444 N 12.67 -5.00 0.00 3.58 8.00 0.99 -4.46 116.55 132.33 1iqy n ASP 444 Ca 0.26 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1iqy n ASP 444 Cb 0.51 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 1iqy n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iqy n GLY 445 N -1.31 0.26 0.07 0.44 0.00 -0.93 -4.86 105.19 98.85 1iqy n GLY 445 Ca -0.08 -2.30 0.13 0.00 0.00 0.00 0.00 46.02 43.76 1iqy n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqy n PHE 446 N -0.77 0.59 -2.50 1.61 3.72 -1.26 -4.23 117.46 114.62 1iqy n PHE 446 Ca 0.00 0.17 -0.40 0.00 -0.05 0.00 0.00 57.45 57.18 1iqy n PHE 446 Cb 0.00 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 1iqy n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1iqy s THR 447 N -3.09 3.82 0.30 4.37 2.01 -1.26 -2.97 115.64 118.82 1iqy s THR 447 Ca 0.10 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.71 1iqy s THR 447 Cb 0.14 -4.90 -0.06 0.00 0.01 0.00 0.00 72.50 67.69 1iqy s THR 447 CO 0.62 -1.80 0.00 0.20 -0.69 0.00 0.00 174.62 172.95 1iqy s ASN 448 N 5.08 2.57 0.16 3.53 0.01 -0.51 -3.97 114.94 121.82 1iqy s ASN 448 Ca 0.46 -1.29 -0.16 0.00 -0.71 0.00 0.00 52.86 51.17 1iqy s ASN 448 Cb -0.03 -0.13 0.03 0.00 0.41 0.00 0.00 41.25 41.53 1iqy s ASN 448 CO -0.03 -0.48 0.45 0.00 -1.51 0.00 0.00 177.10 175.53 1iqy s ARG 449 N -3.81 1.24 -0.02 -0.60 3.03 -0.10 -0.12 118.95 118.56 1iqy s ARG 449 Ca 0.33 -0.83 0.06 0.00 2.03 0.00 0.00 55.73 57.32 1iqy s ARG 449 Cb 0.07 0.49 -0.01 0.00 -1.03 0.00 0.00 34.95 34.46 1iqy s ARG 449 CO 0.13 -0.51 -0.19 0.08 -1.13 0.00 0.00 175.30 173.69 1iqy s VAL 450 N -3.85 1.55 0.06 4.99 1.01 -1.26 -0.62 120.40 122.27 1iqy s VAL 450 Ca 0.07 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1iqy s VAL 450 Cb 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1iqy s VAL 450 CO -0.06 0.44 -0.20 -1.61 0.00 0.00 0.00 175.10 173.67 1iqy s GLU 451 N -0.32 1.27 -0.29 2.72 2.02 0.31 -1.18 118.70 123.24 1iqy s GLU 451 Ca 0.04 -0.99 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 1iqy s GLU 451 Cb -0.09 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 1iqy s GLU 451 CO 0.00 0.35 0.30 -2.00 0.02 0.00 0.00 175.26 173.93 1iqy s GLU 452 N -1.39 3.90 -0.29 1.61 2.12 0.61 -0.69 118.70 124.58 1iqy s GLU 452 Ca 0.07 -0.18 -0.08 0.00 0.36 0.00 0.00 54.97 55.13 1iqy s GLU 452 Cb -0.09 -3.69 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1iqy s GLU 452 CO 0.02 -0.29 0.11 -2.00 -0.54 0.00 0.00 175.26 172.57 1iqy s GLU 453 N 1.94 3.37 0.01 4.30 2.12 -0.11 -1.34 118.70 128.99 1iqy s GLU 453 Ca 0.11 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.79 1iqy s GLU 453 Cb -0.16 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1iqy s GLU 453 CO 0.11 -0.36 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.92 1iqy s ASP 454 N 1.59 4.81 0.36 -1.70 1.01 -0.35 -1.59 116.67 120.80 1iqy s ASP 454 Ca 0.05 -0.11 -0.26 0.00 0.71 0.00 0.00 52.55 52.93 1iqy s ASP 454 Cb -0.17 -1.16 -0.09 0.00 1.01 0.00 0.00 42.92 42.51 1iqy s ASP 454 CO 0.05 0.27 1.13 -0.69 0.21 0.00 0.00 175.17 176.14 1iqy s VAL 455 N -1.06 3.34 -0.16 -1.27 1.01 0.04 -0.83 120.40 121.46 1iqy s VAL 455 Ca 0.19 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1iqy s VAL 455 Cb -0.11 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1iqy s VAL 455 CO 0.10 0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 1iqy s VAL 456 N -1.38 1.98 0.19 2.92 1.01 0.57 -4.82 120.40 120.87 1iqy s VAL 456 Ca 0.53 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1iqy s VAL 456 Cb -0.30 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1iqy s VAL 456 CO 0.38 0.53 0.64 -0.13 0.00 0.00 0.00 175.10 176.52 1iqy s ARG 457 N 1.19 4.11 0.10 2.72 0.52 -1.26 -0.46 118.95 125.87 1iqy s ARG 457 Ca 0.02 0.68 0.08 0.00 -0.52 0.00 0.00 55.73 55.99 1iqy s ARG 457 Cb -0.14 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1iqy s ARG 457 CO -0.10 0.43 -0.18 -0.65 0.02 0.00 0.00 175.30 174.82 1iqy s GLN 458 N -2.00 1.87 0.08 3.54 -0.21 -1.24 -4.93 119.66 116.78 1iqy s GLN 458 Ca 0.41 -1.12 -0.24 0.00 0.02 0.00 0.00 55.36 54.43 1iqy s GLN 458 Cb -0.16 -2.14 -0.06 0.00 1.00 0.00 0.00 33.01 31.65 1iqy s GLN 458 CO 0.20 0.50 0.73 0.99 -2.12 0.00 0.00 175.29 175.59 1iqy s THR 459 N -1.09 4.64 0.21 -0.19 2.01 -1.26 -4.87 115.64 115.09 1iqy s THR 459 Ca 0.17 1.57 -0.31 0.00 0.31 0.00 0.00 61.69 63.43 1iqy s THR 459 Cb -0.11 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1iqy s THR 459 CO 0.09 0.44 1.52 -0.32 -0.69 0.00 0.00 174.62 175.66 1iqy s MET 460 N -0.51 4.23 0.00 4.92 1.75 -1.26 -4.78 119.30 123.64 1iqy s MET 460 Ca 0.36 2.36 0.00 0.00 -1.25 0.00 0.00 55.69 57.16 1iqy s MET 460 Cb -0.21 -3.13 0.00 0.00 2.84 0.00 0.00 34.83 34.33 1iqy s MET 460 CO 0.23 -0.54 0.00 0.41 -0.65 0.00 0.00 175.02 174.47 1iqy n GLY 461 N 3.06 -0.65 3.71 2.11 0.00 -0.05 -4.96 105.19 108.40 1iqy n GLY 461 Ca 0.11 -1.07 -0.56 0.00 0.00 0.00 0.00 46.02 44.49 1iqy n GLY 461 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iqy n PRO 462 N 0.00 1.28 -0.32 1.61 -0.02 -1.26 0.45 135.00 136.74 1iqy n PRO 462 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1iqy n PRO 462 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1iqy n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1iqy n GLY 463 N 4.25 0.91 2.69 -1.23 0.00 -1.26 -4.82 105.19 105.72 1iqy n GLY 463 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 1iqy n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iqy n ASN 464 N 0.00 -1.66 -0.07 1.61 5.15 0.17 -5.00 115.26 115.47 1iqy n ASN 464 Ca 0.00 -2.79 0.08 0.00 -0.60 0.00 0.00 54.58 51.28 1iqy n ASN 464 Cb 0.00 1.06 0.45 0.00 -0.53 0.00 0.00 39.78 40.76 1iqy n ASN 464 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1iqy h GLU 465 N 2.34 0.49 -0.01 1.20 3.07 -1.51 0.20 114.58 120.36 1iqy h GLU 465 Ca -0.21 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1iqy h GLU 465 Cb 1.23 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1iqy h GLU 465 CO 0.04 0.33 -0.01 0.54 -1.40 0.00 0.00 179.01 178.50 1iqy n ARG 466 N -4.47 1.53 -3.89 2.33 1.74 -1.26 -4.63 116.66 108.00 1iqy n ARG 466 Ca 0.07 -0.81 -0.28 0.00 -0.77 0.00 0.00 57.85 56.07 1iqy n ARG 466 Cb 0.24 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 1iqy n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iqy n GLY 467 N 1.16 -0.40 0.00 -0.13 0.00 -0.53 -4.87 105.19 100.42 1iqy n GLY 467 Ca 0.19 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.41 1iqy n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iqy n ASN 468 N -2.90 2.61 -4.76 1.61 0.23 -1.26 -4.86 115.26 105.92 1iqy n ASN 468 Ca -0.09 -0.14 -0.39 0.00 -0.53 0.00 0.00 54.58 53.43 1iqy n ASN 468 Cb 0.58 1.28 0.00 0.00 -2.08 0.00 0.00 39.78 39.57 1iqy n ASN 468 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iqy s ALA 469 N -2.36 3.09 -0.09 -2.53 0.00 -1.26 -5.05 121.76 113.56 1iqy s ALA 469 Ca -0.02 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 1iqy s ALA 469 Cb 0.05 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.73 1iqy s ALA 469 CO 0.32 -0.91 0.45 -0.59 0.00 0.00 0.00 175.76 175.03 1iqy s PHE 470 N -1.34 -0.41 0.00 0.00 -0.12 -1.26 -3.62 117.98 111.22 1iqy s PHE 470 Ca 0.62 0.85 0.00 0.00 -0.05 0.00 0.00 56.93 58.35 1iqy s PHE 470 Cb -0.36 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 1iqy s PHE 470 CO 0.45 -0.37 0.00 0.45 -0.05 0.00 0.00 175.22 175.70 1iqy n SER 471 N 1.87 0.84 -3.95 1.98 2.88 0.39 -4.99 113.62 112.64 1iqy n SER 471 Ca -0.18 -0.30 -0.10 0.00 -1.33 0.00 0.00 58.87 56.97 1iqy n SER 471 Cb 0.56 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 1iqy n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iqy s ARG 472 N 0.09 0.39 0.02 -1.46 1.70 -1.26 -0.32 118.95 118.11 1iqy s ARG 472 Ca 0.00 -0.58 0.03 0.00 -0.47 0.00 0.00 55.73 54.71 1iqy s ARG 472 Cb 0.00 0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1iqy s ARG 472 CO 0.00 -0.08 -0.11 -1.59 -1.08 0.00 0.00 175.30 172.45 1iqy s LYS 473 N -1.61 0.78 -0.07 3.89 -2.85 -0.01 -4.81 119.74 115.06 1iqy s LYS 473 Ca -0.14 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 54.30 1iqy s LYS 473 Cb -0.08 -0.73 0.01 0.00 -2.06 0.00 0.00 37.83 34.96 1iqy s LYS 473 CO -0.01 0.19 -0.16 1.03 0.10 0.00 0.00 175.35 176.50 1iqy s ARG 474 N -0.78 2.02 -0.17 1.78 0.52 -1.26 -1.21 118.95 119.86 1iqy s ARG 474 Ca 0.01 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1iqy s ARG 474 Cb -0.06 -1.63 0.00 0.00 0.52 0.00 0.00 34.95 33.78 1iqy s ARG 474 CO 0.00 0.10 -0.15 0.99 0.02 0.00 0.00 175.30 176.26 1iqy s THR 475 N 0.48 2.58 0.11 0.02 2.01 -0.45 -4.91 115.64 115.47 1iqy s THR 475 Ca -0.14 -0.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 1iqy s THR 475 Cb -0.16 -2.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 1iqy s THR 475 CO 0.05 0.51 0.97 -0.69 -0.69 0.00 0.00 174.62 174.77 1iqy s VAL 476 N 1.00 4.48 -0.39 3.82 1.01 -1.26 -0.28 120.40 128.77 1iqy s VAL 476 Ca -0.02 2.04 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 1iqy s VAL 476 Cb -0.15 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.95 1iqy s VAL 476 CO -0.03 0.30 0.72 -0.76 0.00 0.00 0.00 175.10 175.32 1iqy s LEU 477 N 0.06 4.25 -0.16 3.92 1.43 -0.32 -4.94 118.68 122.92 1iqy s LEU 477 Ca 0.48 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 1iqy s LEU 477 Cb -0.24 -2.89 -0.23 0.00 0.03 0.00 0.00 46.19 42.87 1iqy s LEU 477 CO 0.30 -0.74 0.18 0.35 0.23 0.00 0.00 176.35 176.67 1iqy n THR 478 N 5.83 1.64 -4.35 5.49 -2.24 -1.26 -4.18 114.28 115.20 1iqy n THR 478 Ca 0.01 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.87 1iqy n THR 478 Cb 0.48 -1.45 -0.12 0.00 -2.10 0.00 0.00 70.33 67.14 1iqy n THR 478 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iqy s ARG 479 N -2.55 1.31 0.54 -0.78 1.81 -1.26 -1.47 118.95 116.56 1iqy s ARG 479 Ca -0.23 -1.33 0.23 0.00 -1.72 0.00 0.00 55.73 52.68 1iqy s ARG 479 Cb 0.07 -1.64 1.42 0.00 -0.45 0.00 0.00 34.95 34.35 1iqy s ARG 479 CO 0.73 0.37 2.06 0.93 -0.68 0.00 0.00 175.30 178.71 1iqy h GLU 480 N 3.73 0.00 0.00 3.54 5.08 -1.60 -0.20 114.58 125.14 1iqy h GLU 480 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1iqy h GLU 480 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1iqy h GLU 480 CO 0.42 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.30 1iqy n SER 481 N -4.29 0.00 0.00 1.42 3.41 -1.26 -1.58 113.62 111.31 1iqy n SER 481 Ca 0.04 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1iqy n SER 481 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1iqy n SER 481 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iqy n GLU 482 N -0.75 0.79 -1.05 4.33 1.02 -0.09 -4.79 120.64 120.11 1iqy n GLU 482 Ca 0.07 -0.73 -0.12 0.00 -0.02 0.00 0.00 57.16 56.36 1iqy n GLU 482 Cb 0.03 -0.74 0.24 0.00 -0.02 0.00 0.00 31.44 30.95 1iqy n GLU 482 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iqy n ALA 483 N -0.16 4.88 -3.70 0.62 0.00 -0.62 -4.78 120.51 116.75 1iqy n ALA 483 Ca 0.00 -2.68 -0.37 0.00 0.00 0.00 0.00 53.44 50.39 1iqy n ALA 483 Cb 0.29 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 1iqy n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqy s VAL 484 N -3.14 3.64 0.10 0.00 1.01 -1.26 -1.04 120.40 119.70 1iqy s VAL 484 Ca 0.54 -2.22 0.05 0.00 0.00 0.00 0.00 61.98 60.35 1iqy s VAL 484 Cb 0.45 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1iqy s VAL 484 CO 0.10 -0.76 0.00 -0.13 0.00 0.00 0.00 175.10 174.31 1iqy s ARG 485 N 0.88 2.53 0.27 2.72 1.81 0.13 -5.00 118.95 122.30 1iqy s ARG 485 Ca 0.10 -0.86 0.10 0.00 -1.72 0.00 0.00 55.73 53.34 1iqy s ARG 485 Cb -0.23 -2.52 -0.04 0.00 -0.45 0.00 0.00 34.95 31.71 1iqy s ARG 485 CO -0.03 0.53 -0.00 -1.83 -0.68 0.00 0.00 175.30 173.28 1iqy s GLU 486 N -2.37 2.27 0.71 3.54 -1.05 -1.26 -1.46 118.70 119.08 1iqy s GLU 486 Ca 0.26 -1.45 -0.11 0.00 -0.15 0.00 0.00 54.97 53.52 1iqy s GLU 486 Cb -0.11 -2.14 0.02 0.00 -0.44 0.00 0.00 34.13 31.46 1iqy s GLU 486 CO 0.18 0.34 1.07 0.00 0.95 0.00 0.00 175.26 177.80 1iqy s ALA 487 N -2.35 2.65 -0.48 -0.84 0.00 -1.26 -4.93 121.76 114.55 1iqy s ALA 487 Ca 0.32 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.32 1iqy s ALA 487 Cb -0.06 -3.14 0.18 0.00 0.00 0.00 0.00 23.12 20.10 1iqy s ALA 487 CO 0.20 -1.27 0.62 0.34 0.00 0.00 0.00 175.76 175.65 1iqy s ASP 488 N -3.90 -0.73 0.37 0.00 -1.08 -1.26 -5.02 116.67 105.06 1iqy s ASP 488 Ca 0.58 -1.93 0.05 0.00 -0.52 0.00 0.00 52.55 50.74 1iqy s ASP 488 Cb -0.14 1.35 0.74 0.00 -1.46 0.00 0.00 42.92 43.42 1iqy s ASP 488 CO 0.55 -0.10 2.01 0.00 0.52 0.00 0.00 175.17 178.15 1iqy h ALA 489 N 5.41 1.66 -0.56 3.66 0.00 -1.94 -1.88 119.26 125.61 1iqy h ALA 489 Ca 0.10 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1iqy h ALA 489 Cb 1.07 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1iqy h ALA 489 CO 0.10 0.28 0.21 -0.09 0.00 0.00 0.00 179.25 179.75 1iqy h ARG 490 N 0.73 0.38 -0.75 0.00 2.43 -1.99 -0.87 114.38 114.31 1iqy h ARG 490 Ca 0.24 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1iqy h ARG 490 Cb 0.05 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.42 1iqy h ARG 490 CO -0.06 0.25 0.21 0.25 -1.51 0.00 0.00 179.97 179.11 1iqy n THR 491 N -5.00 2.71 -3.62 0.20 -2.24 -1.06 -4.94 114.28 100.34 1iqy n THR 491 Ca 0.07 -1.45 -0.27 0.00 -2.27 0.00 0.00 64.05 60.13 1iqy n THR 491 Cb 0.24 -0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.08 1iqy n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqy n GLY 492 N 0.03 -0.48 3.70 3.38 0.00 -0.33 -0.78 105.19 110.71 1iqy n GLY 492 Ca 0.36 0.11 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 1iqy n GLY 492 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1iqy n ARG 493 N -3.94 2.57 -4.31 1.61 0.63 -0.73 -4.55 116.66 107.94 1iqy n ARG 493 Ca 0.02 0.93 -0.19 0.00 -0.92 0.00 0.00 57.85 57.68 1iqy n ARG 493 Cb 0.52 -2.75 -0.08 0.00 0.45 0.00 0.00 32.46 30.60 1iqy n ARG 493 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1iqy s THR 494 N 1.03 0.11 -0.04 5.15 -4.23 -0.62 -4.76 115.64 112.27 1iqy s THR 494 Ca 0.76 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1iqy s THR 494 Cb -0.56 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 70.82 1iqy s THR 494 CO 0.35 0.00 -0.03 0.26 -0.54 0.00 0.00 174.62 174.66 1iqy s TRP 495 N -3.52 0.64 -0.16 3.99 0.51 -1.21 -0.93 118.94 118.25 1iqy s TRP 495 Ca 0.38 -0.16 -0.04 0.00 -2.12 0.00 0.00 56.10 54.16 1iqy s TRP 495 Cb 0.03 -0.62 -0.03 0.00 -0.81 0.00 0.00 33.47 32.05 1iqy s TRP 495 CO 0.23 -0.19 -0.04 0.42 -0.51 0.00 0.00 176.95 176.86 1iqy s ILE 496 N 1.03 3.88 -0.25 2.03 1.01 0.13 0.21 121.20 129.24 1iqy s ILE 496 Ca -0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 1iqy s ILE 496 Cb -0.14 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1iqy s ILE 496 CO -0.01 0.49 0.10 -0.63 0.00 0.00 0.00 174.94 174.89 1iqy s ILE 497 N 0.43 4.59 0.24 2.92 1.09 0.23 -0.53 121.20 130.17 1iqy s ILE 497 Ca -0.04 -0.08 0.05 0.00 -1.10 0.00 0.00 60.65 59.49 1iqy s ILE 497 Cb -0.14 -3.16 -0.05 0.00 -1.06 0.00 0.00 42.46 38.05 1iqy s ILE 497 CO 0.03 0.32 -0.04 -0.94 -0.10 0.00 0.00 174.94 174.21 1iqy s SER 498 N 1.60 2.24 -0.41 3.58 1.04 0.20 -1.49 113.70 120.46 1iqy s SER 498 Ca 0.06 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.25 1iqy s SER 498 Cb -0.15 -0.07 0.09 0.00 0.10 0.00 0.00 66.02 65.98 1iqy s SER 498 CO 0.05 -0.41 0.23 0.21 0.98 0.00 0.00 173.24 174.31 1iqy s ASN 499 N -3.35 5.49 0.00 7.02 3.84 -0.88 -0.93 114.94 126.14 1iqy s ASN 499 Ca 0.27 -1.63 0.05 0.00 0.21 0.00 0.00 52.86 51.77 1iqy s ASN 499 Cb 0.04 -1.93 0.33 0.00 -0.55 0.00 0.00 41.25 39.14 1iqy s ASN 499 CO 0.09 -0.53 0.71 -0.81 -2.79 0.00 0.00 177.10 173.78 1iqy n PRO 500 N 4.82 0.27 -0.08 0.43 -0.04 -1.25 -2.27 135.00 136.87 1iqy n PRO 500 Ca -0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1iqy n PRO 500 Cb 0.42 -1.32 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 1iqy n PRO 500 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iqy n GLU 501 N -0.82 1.44 -3.75 0.54 1.02 -1.26 -4.93 120.64 112.88 1iqy n GLU 501 Ca 0.04 -1.36 -0.26 0.00 -0.02 0.00 0.00 57.16 55.55 1iqy n GLU 501 Cb 0.02 -0.89 -0.17 0.00 -0.02 0.00 0.00 31.44 30.38 1iqy n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iqy s SER 502 N -1.08 2.54 0.05 1.62 0.15 -0.96 -5.10 113.70 110.91 1iqy s SER 502 Ca 0.06 -0.61 0.05 0.00 0.70 0.00 0.00 55.95 56.16 1iqy s SER 502 Cb 0.05 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 1iqy s SER 502 CO 0.01 -0.27 -0.11 -0.54 1.20 0.00 0.00 173.24 173.53 1iqy s LYS 503 N 1.88 2.30 0.75 5.44 1.02 -1.26 -0.54 119.74 129.33 1iqy s LYS 503 Ca 0.01 -0.89 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 1iqy s LYS 503 Cb -0.16 -2.36 0.18 0.00 -0.52 0.00 0.00 37.83 34.97 1iqy s LYS 503 CO -0.07 0.56 0.92 0.27 -0.92 0.00 0.00 175.35 176.10 1iqy n ASN 504 N 1.28 -0.40 0.27 2.83 0.23 0.12 -4.83 115.26 114.76 1iqy n ASN 504 Ca -0.15 -1.26 0.18 0.00 -0.53 0.00 0.00 54.58 52.83 1iqy n ASN 504 Cb 0.52 -0.73 0.87 0.00 -2.08 0.00 0.00 39.78 38.36 1iqy n ASN 504 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1iqy h ARG 505 N 0.00 0.00 -0.51 -3.83 0.11 -1.88 0.65 114.38 108.92 1iqy h ARG 505 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1iqy h ARG 505 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1iqy h ARG 505 CO 0.21 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.56 1iqy n LEU 506 N -2.90 2.64 -3.54 0.08 4.77 -1.26 -4.89 117.00 111.91 1iqy n LEU 506 Ca -0.01 -1.33 -0.23 0.00 -0.03 0.00 0.00 56.01 54.41 1iqy n LEU 506 Cb 0.17 -0.37 0.08 0.00 -2.33 0.00 0.00 43.42 40.97 1iqy n LEU 506 CO 0.21 0.54 0.24 -3.20 -1.33 0.00 0.00 177.39 173.85 1iqy n ASN 507 N 0.63 -6.14 -4.34 -1.43 4.05 0.22 -5.03 115.26 103.24 1iqy n ASN 507 Ca 0.15 -0.53 -0.32 0.00 0.45 0.00 0.00 54.58 54.32 1iqy n ASN 507 Cb 0.47 -4.96 -0.15 0.00 1.23 0.00 0.00 39.78 36.37 1iqy n ASN 507 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1iqy s GLU 508 N -6.25 2.71 0.05 1.20 0.41 -1.25 -4.84 118.70 110.72 1iqy s GLU 508 Ca 0.55 -0.81 -0.36 0.00 -0.41 0.00 0.00 54.97 53.94 1iqy s GLU 508 Cb -0.24 -2.31 -0.15 0.00 -1.78 0.00 0.00 34.13 29.65 1iqy s GLU 508 CO 0.72 0.40 1.55 -2.30 -0.49 0.00 0.00 175.26 175.14 1iqy n PRO 509 N 2.92 1.66 -1.94 0.39 -0.02 -1.26 0.14 135.00 136.89 1iqy n PRO 509 Ca -0.18 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.54 1iqy n PRO 509 Cb 0.52 -2.32 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 1iqy n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1iqy s VAL 510 N 1.50 2.44 0.33 -1.45 -7.23 0.30 -4.79 120.40 111.51 1iqy s VAL 510 Ca 0.85 0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 61.12 1iqy s VAL 510 Cb -0.83 -3.12 0.04 0.00 0.56 0.00 0.00 36.38 33.03 1iqy s VAL 510 CO 0.46 -0.05 0.75 -0.83 -0.31 0.00 0.00 175.10 175.13 1iqy s GLY 511 N -1.47 0.15 -0.01 2.32 0.00 -1.16 -2.08 107.32 105.07 1iqy s GLY 511 Ca 0.78 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1iqy s GLY 511 CO 0.36 -0.20 -0.01 -0.19 0.00 0.00 0.00 173.10 173.06 1iqy s TYR 512 N -3.11 0.13 -0.16 1.90 1.51 -0.56 -1.15 117.35 115.92 1iqy s TYR 512 Ca 0.13 -0.01 -0.04 0.00 -1.01 0.00 0.00 57.07 56.15 1iqy s TYR 512 Cb -0.06 -0.13 -0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1iqy s TYR 512 CO 0.09 -0.02 -0.03 0.21 -1.11 0.00 0.00 175.55 174.69 1iqy s LYS 513 N 0.16 3.68 -0.27 -0.62 2.20 0.79 -0.60 119.74 125.08 1iqy s LYS 513 Ca -0.01 -0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 54.90 1iqy s LYS 513 Cb -0.03 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1iqy s LYS 513 CO -0.00 0.24 0.52 -1.17 -0.36 0.00 0.00 175.35 174.57 1iqy s LEU 514 N 0.38 4.06 -0.37 5.43 2.96 0.13 -0.77 118.68 130.50 1iqy s LEU 514 Ca -0.04 0.49 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 1iqy s LEU 514 Cb -0.14 -2.66 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1iqy s LEU 514 CO 0.03 -0.30 0.20 -1.00 -1.32 0.00 0.00 176.35 173.96 1iqy s HIS 515 N 2.32 3.26 0.50 5.38 3.76 0.58 -3.31 115.29 127.78 1iqy s HIS 515 Ca 0.21 -1.12 -0.03 0.00 -0.15 0.00 0.00 55.06 53.97 1iqy s HIS 515 Cb -0.16 -2.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 1iqy s HIS 515 CO 0.09 -0.69 0.76 0.00 -0.85 0.00 0.00 174.74 174.05 1iqy s ALA 516 N 1.51 3.53 -0.92 -1.40 0.00 -1.26 -2.05 121.76 121.17 1iqy s ALA 516 Ca 0.01 -0.83 0.25 0.00 0.00 0.00 0.00 51.96 51.40 1iqy s ALA 516 Cb -0.20 -2.38 0.58 0.00 0.00 0.00 0.00 23.12 21.13 1iqy s ALA 516 CO 0.05 -0.49 1.47 0.72 0.00 0.00 0.00 175.76 177.51 1iqy n HIS 517 N -2.26 0.13 -3.39 0.00 8.25 -1.26 -4.96 115.22 111.72 1iqy n HIS 517 Ca 0.02 0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.27 1iqy n HIS 517 Cb 0.57 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 31.33 1iqy n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1iqy n ASN 518 N -1.64 -5.36 -4.80 0.41 3.02 -1.26 -4.98 115.26 100.64 1iqy n ASN 518 Ca 0.05 -0.46 -0.30 0.00 -0.03 0.00 0.00 54.58 53.84 1iqy n ASN 518 Cb 0.36 -4.31 0.08 0.00 -0.61 0.00 0.00 39.78 35.30 1iqy n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1iqy s GLN 519 N -6.08 2.34 0.64 3.52 -1.52 -1.26 -4.98 119.66 112.32 1iqy s GLN 519 Ca 0.45 0.81 -0.17 0.00 -1.95 0.00 0.00 55.36 54.50 1iqy s GLN 519 Cb -0.22 -1.93 -0.01 0.00 -0.22 0.00 0.00 33.01 30.63 1iqy s GLN 519 CO 0.56 -1.48 1.18 -2.14 -0.25 0.00 0.00 175.29 173.15 1iqy s PRO 520 N -5.08 2.75 0.00 2.91 0.02 -1.26 -4.87 135.00 129.47 1iqy s PRO 520 Ca 0.60 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1iqy s PRO 520 Cb -0.15 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1iqy s PRO 520 CO 0.55 -1.35 0.00 0.25 -0.33 0.00 0.00 177.00 176.12 1iqy n THR 521 N -2.06 0.00 -1.68 0.99 -2.24 -1.26 -4.55 114.28 103.48 1iqy n THR 521 Ca 0.13 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.40 1iqy n THR 521 Cb 0.50 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 1iqy n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iqy n LEU 522 N 0.00 2.94 0.11 3.22 7.94 0.10 -4.88 117.00 126.43 1iqy n LEU 522 Ca 0.00 1.03 0.05 0.00 -1.11 0.00 0.00 56.01 55.98 1iqy n LEU 522 Cb 0.00 -1.30 0.01 0.00 0.53 0.00 0.00 43.42 42.65 1iqy n LEU 522 CO 0.00 -0.29 0.19 -0.07 -1.11 0.00 0.00 177.39 176.11 1iqy h LEU 523 N 7.69 0.00 -9.56 -1.96 3.38 -1.94 -3.46 115.31 109.46 1iqy h LEU 523 Ca -0.47 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.91 1iqy h LEU 523 Cb 1.29 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.18 1iqy h LEU 523 CO 0.92 0.36 -0.08 0.00 0.09 0.00 0.00 178.44 179.74 1iqy n ALA 524 N -2.25 -0.50 -1.62 1.53 0.00 -1.26 -4.85 120.51 111.56 1iqy n ALA 524 Ca -0.02 0.15 -0.45 0.00 0.00 0.00 0.00 53.44 53.11 1iqy n ALA 524 Cb 0.71 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1iqy n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iqy n ASP 525 N 0.57 1.87 0.08 0.00 -0.08 -1.26 -4.82 116.55 112.90 1iqy n ASP 525 Ca 0.11 1.16 0.20 0.00 -1.51 0.00 0.00 54.79 54.75 1iqy n ASP 525 Cb 0.41 -1.33 0.75 0.00 2.34 0.00 0.00 41.12 43.29 1iqy n ASP 525 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iqy h PRO 526 N 3.02 0.00 -0.01 -0.67 0.13 -1.96 -0.52 132.00 132.00 1iqy h PRO 526 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1iqy h PRO 526 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1iqy h PRO 526 CO 0.67 0.00 -0.10 0.41 -0.23 0.00 0.00 178.00 178.75 1iqy n GLY 527 N -1.52 -0.46 3.62 1.56 0.00 -1.26 -4.58 105.19 102.55 1iqy n GLY 527 Ca 0.07 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1iqy n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iqy s SER 528 N -2.25 2.29 0.10 1.61 1.04 -0.20 -4.91 113.70 111.37 1iqy s SER 528 Ca 0.33 1.50 -0.13 0.00 0.48 0.00 0.00 55.95 58.13 1iqy s SER 528 Cb 0.20 -2.19 -0.13 0.00 0.10 0.00 0.00 66.02 64.01 1iqy s SER 528 CO 0.42 -3.39 1.34 -1.28 0.98 0.00 0.00 173.24 171.32 1iqy h SER 529 N -2.06 0.89 -0.09 7.02 0.87 -1.91 -2.86 113.55 115.41 1iqy h SER 529 Ca -0.54 -0.58 -0.04 0.00 -1.23 0.00 0.00 61.79 59.40 1iqy h SER 529 Cb 1.31 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1iqy h SER 529 CO 0.52 1.31 -0.04 -0.29 -0.53 0.00 0.00 176.83 177.81 1iqy h ILE 530 N 0.52 1.16 -0.61 2.23 6.09 -1.92 0.23 117.51 125.20 1iqy h ILE 530 Ca -0.01 -0.63 -0.04 0.00 -1.37 0.00 0.00 64.86 62.81 1iqy h ILE 530 Cb 1.21 1.04 -0.03 0.00 0.47 0.00 0.00 36.82 39.51 1iqy h ILE 530 CO 0.13 0.21 0.23 0.00 -3.07 0.00 0.00 178.15 175.65 1iqy h ALA 531 N 1.66 0.79 -0.15 0.18 0.00 -1.76 0.31 119.26 120.29 1iqy h ALA 531 Ca 0.07 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1iqy h ALA 531 Cb 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1iqy h ALA 531 CO 0.01 0.42 -0.74 0.00 0.00 0.00 0.00 179.25 178.94 1iqy h ARG 532 N 0.85 0.73 0.00 0.00 3.08 -1.09 -1.75 114.38 116.20 1iqy h ARG 532 Ca 0.20 -0.58 -0.15 0.00 0.07 0.00 0.00 59.98 59.52 1iqy h ARG 532 Cb 0.22 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1iqy h ARG 532 CO -0.01 1.19 -0.73 0.00 -1.07 0.00 0.00 179.97 179.35 1iqy h ARG 533 N 0.51 0.00 -1.29 0.04 3.08 -0.35 -0.69 114.38 115.69 1iqy h ARG 533 Ca -0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.45 1iqy h ARG 533 Cb 1.36 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.99 1iqy h ARG 533 CO 0.15 0.73 -0.80 0.00 -1.07 0.00 0.00 179.97 178.98 1iqy n ALA 534 N -2.34 4.87 0.21 0.04 0.00 0.11 -4.80 120.51 118.59 1iqy n ALA 534 Ca -0.00 -4.08 0.16 0.00 0.00 0.00 0.00 53.44 49.52 1iqy n ALA 534 Cb 0.76 -0.53 0.81 0.00 0.00 0.00 0.00 19.45 20.49 1iqy n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqy h ALA 535 N 2.53 1.83 -0.33 0.00 0.00 -1.40 -1.04 119.26 120.85 1iqy h ALA 535 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1iqy h ALA 535 Cb 1.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1iqy h ALA 535 CO 0.79 -0.24 0.19 0.27 0.00 0.00 0.00 179.25 180.26 1iqy h PHE 536 N 0.00 0.43 0.00 0.00 -0.00 -1.86 -2.24 116.94 113.26 1iqy h PHE 536 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.05 1iqy h PHE 536 Cb 0.39 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 1iqy h PHE 536 CO 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 178.31 178.60 1iqy n ALA 537 N -2.49 2.36 1.31 12.09 0.00 -0.39 -3.22 120.51 130.17 1iqy n ALA 537 Ca 0.02 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.46 1iqy n ALA 537 Cb 0.08 -1.43 0.46 0.00 0.00 0.00 0.00 19.45 18.56 1iqy n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iqy n THR 538 N -1.23 0.00 -3.99 0.00 -2.24 -0.84 -0.73 114.28 105.26 1iqy n THR 538 Ca 0.14 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1iqy n THR 538 Cb 0.19 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.56 1iqy n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1iqy s LYS 539 N -2.47 0.33 0.16 -0.78 -0.14 -1.20 -4.79 119.74 110.86 1iqy s LYS 539 Ca 0.26 -0.62 0.05 0.00 -1.36 0.00 0.00 55.97 54.31 1iqy s LYS 539 Cb 0.20 0.06 -0.04 0.00 -1.68 0.00 0.00 37.83 36.37 1iqy s LYS 539 CO 0.50 -0.04 1.37 -0.44 -0.76 0.00 0.00 175.35 175.98 1iqy h ASP 540 N 4.65 0.12 -3.50 2.83 5.19 -1.71 -3.39 116.42 120.61 1iqy h ASP 540 Ca -0.32 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 55.82 1iqy h ASP 540 Cb 1.21 -0.04 -0.27 0.00 0.18 0.00 0.00 39.33 40.41 1iqy h ASP 540 CO 0.41 0.96 -0.39 -0.22 -3.12 0.00 0.00 179.24 176.88 1iqy s LEU 541 N -7.17 0.44 0.03 1.55 2.96 -0.53 -1.16 118.68 114.80 1iqy s LEU 541 Ca -0.01 0.66 0.06 0.00 -0.22 0.00 0.00 54.13 54.61 1iqy s LEU 541 Cb 0.10 1.01 -0.02 0.00 0.50 0.00 0.00 46.19 47.79 1iqy s LEU 541 CO 0.82 -0.15 -0.17 0.26 -1.32 0.00 0.00 176.35 175.79 1iqy s TRP 542 N 0.88 1.49 -0.10 5.38 0.52 -0.11 0.19 118.94 127.21 1iqy s TRP 542 Ca -0.06 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.73 1iqy s TRP 542 Cb -0.07 -0.90 0.01 0.00 -1.15 0.00 0.00 33.47 31.37 1iqy s TRP 542 CO -0.06 0.05 -0.15 0.08 0.02 0.00 0.00 176.95 176.89 1iqy s VAL 543 N -0.77 1.42 0.20 4.03 1.01 -0.21 -0.39 120.40 125.69 1iqy s VAL 543 Ca 0.05 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1iqy s VAL 543 Cb -0.08 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1iqy s VAL 543 CO 0.01 0.42 -0.15 0.42 0.00 0.00 0.00 175.10 175.81 1iqy s THR 544 N 0.89 1.75 0.01 3.92 -4.23 -0.31 -4.73 115.64 112.93 1iqy s THR 544 Ca -0.09 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 57.93 1iqy s THR 544 Cb -0.15 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.63 1iqy s THR 544 CO 0.00 -0.57 1.05 -0.60 -0.54 0.00 0.00 174.62 173.96 1iqy s ARG 545 N -3.57 4.51 0.59 3.99 6.06 -1.26 -0.20 118.95 129.07 1iqy s ARG 545 Ca 0.22 1.52 -0.19 0.00 -2.50 0.00 0.00 55.73 54.78 1iqy s ARG 545 Cb -0.01 -3.44 -0.04 0.00 0.06 0.00 0.00 34.95 31.52 1iqy s ARG 545 CO 0.07 -0.14 1.07 0.98 -2.50 0.00 0.00 175.30 174.78 1iqy n TYR 546 N 4.02 1.22 -3.64 5.12 4.19 -0.54 -4.83 117.16 122.70 1iqy n TYR 546 Ca 0.07 0.44 -0.09 0.00 3.31 0.00 0.00 57.90 61.63 1iqy n TYR 546 Cb 0.49 -2.19 -0.07 0.00 0.49 0.00 0.00 39.34 38.06 1iqy n TYR 546 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1iqy s ALA 547 N -1.45 -1.92 -0.34 2.98 0.00 -1.26 -5.01 121.76 114.75 1iqy s ALA 547 Ca 0.76 2.20 0.22 0.00 0.00 0.00 0.00 51.96 55.14 1iqy s ALA 547 Cb -0.42 -1.40 1.06 0.00 0.00 0.00 0.00 23.12 22.37 1iqy s ALA 547 CO 0.47 -0.34 1.67 -0.40 0.00 0.00 0.00 175.76 177.15 1iqy n ASP 548 N 3.46 0.60 -0.92 0.00 5.68 -1.26 -2.49 116.55 121.61 1iqy n ASP 548 Ca -0.17 0.71 0.09 0.00 -0.50 0.00 0.00 54.79 54.92 1iqy n ASP 548 Cb 0.57 -0.82 0.19 0.00 -1.14 0.00 0.00 41.12 39.92 1iqy n ASP 548 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1iqy n ASP 549 N -2.23 3.15 -4.14 -1.12 3.85 -1.26 -4.66 116.55 110.14 1iqy n ASP 549 Ca 0.00 -1.91 -0.38 0.00 -0.71 0.00 0.00 54.79 51.79 1iqy n ASP 549 Cb 0.12 -0.25 -0.06 0.00 -1.35 0.00 0.00 41.12 39.59 1iqy n ASP 549 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1iqy s GLU 550 N -1.17 3.27 -0.19 0.11 2.02 -1.04 -4.83 118.70 116.88 1iqy s GLU 550 Ca 0.32 -3.12 0.18 0.00 0.02 0.00 0.00 54.97 52.37 1iqy s GLU 550 Cb 0.18 -4.00 -0.25 0.00 0.10 0.00 0.00 34.13 30.15 1iqy s GLU 550 CO 0.24 -1.25 0.10 0.54 0.02 0.00 0.00 175.26 174.91 1iqy n ARG 551 N 2.62 0.73 -4.41 1.61 1.74 -1.26 -4.80 116.66 112.89 1iqy n ARG 551 Ca 0.19 -0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 57.04 1iqy n ARG 551 Cb 0.38 -1.51 -0.13 0.00 -1.02 0.00 0.00 32.46 30.17 1iqy n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1iqy s TYR 552 N -2.55 1.34 0.41 -1.55 2.02 -1.26 -4.92 117.35 110.83 1iqy s TYR 552 Ca -0.10 -0.36 0.33 0.00 -0.37 0.00 0.00 57.07 56.58 1iqy s TYR 552 Cb 0.06 -0.80 1.68 0.00 -0.40 0.00 0.00 41.96 42.51 1iqy s TYR 552 CO 0.82 0.05 2.13 -1.00 -1.57 0.00 0.00 175.55 175.98 1iqy h PRO 553 N 4.93 0.00 -0.13 -1.71 0.13 -1.95 -2.56 132.00 130.71 1iqy h PRO 553 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1iqy h PRO 553 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iqy h PRO 553 CO 0.44 0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.52 1iqy n THR 554 N -3.38 0.34 0.00 1.56 -2.24 -1.26 -1.23 114.28 108.07 1iqy n THR 554 Ca -0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1iqy n THR 554 Cb 0.21 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1iqy n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqy n GLY 555 N 0.58 0.38 0.19 3.38 0.00 -0.97 -3.78 105.19 104.98 1iqy n GLY 555 Ca 0.08 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1iqy n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iqy h ASP 556 N 0.00 0.47 -4.02 1.61 3.32 -1.92 -3.40 116.42 112.47 1iqy h ASP 556 Ca 0.00 -0.27 -0.65 0.00 0.02 0.00 0.00 57.03 56.13 1iqy h ASP 556 Cb 0.00 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 39.01 1iqy h ASP 556 CO 0.00 0.96 -0.68 -0.36 -1.72 0.00 0.00 179.24 177.45 1iqy s PHE 557 N -3.83 3.42 0.00 4.55 0.08 -1.26 -4.97 117.98 115.97 1iqy s PHE 557 Ca -0.06 -3.07 -0.19 0.00 0.12 0.00 0.00 56.93 53.74 1iqy s PHE 557 Cb 0.11 -2.84 -0.29 0.00 -0.57 0.00 0.00 43.02 39.43 1iqy s PHE 557 CO 0.83 -0.84 1.01 0.28 -0.10 0.00 0.00 175.22 176.40 1iqy h VAL 558 N 6.03 1.40 -1.00 -0.44 2.07 -1.77 -3.40 116.25 119.13 1iqy h VAL 558 Ca -0.06 -2.42 -0.76 0.00 0.82 0.00 0.00 66.70 64.28 1iqy h VAL 558 Cb 0.95 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1iqy h VAL 558 CO 0.60 0.71 1.06 -3.20 0.02 0.00 0.00 177.57 176.76 1iqy n ASN 559 N -4.01 1.75 -2.57 0.57 2.85 -1.25 -1.49 115.26 111.10 1iqy n ASN 559 Ca -0.13 0.87 -0.15 0.00 -0.11 0.00 0.00 54.58 55.06 1iqy n ASN 559 Cb 0.86 -1.06 -0.00 0.00 1.24 0.00 0.00 39.78 40.82 1iqy n ASN 559 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iqy n GLN 560 N 6.18 -2.44 -2.90 1.20 6.02 -1.26 -0.42 117.38 123.76 1iqy n GLN 560 Ca 0.37 0.63 -0.40 0.00 -0.01 0.00 0.00 57.00 57.58 1iqy n GLN 560 Cb 0.07 -5.26 -0.04 0.00 1.02 0.00 0.00 30.24 26.03 1iqy n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1iqy s HIS 561 N -2.71 3.71 0.21 1.08 2.46 -0.56 -4.56 115.29 114.92 1iqy s HIS 561 Ca 0.06 1.54 -0.10 0.00 0.47 0.00 0.00 55.06 57.03 1iqy s HIS 561 Cb -0.03 -2.92 0.25 0.00 -0.13 0.00 0.00 32.58 29.75 1iqy s HIS 561 CO 0.07 0.18 1.77 0.66 -2.47 0.00 0.00 174.74 174.95 1iqy h SER 562 N 6.02 0.36 -0.47 9.88 4.64 -1.90 -3.45 113.55 128.63 1iqy h SER 562 Ca -0.43 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1iqy h SER 562 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1iqy h SER 562 CO 0.72 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1iqy n GLY 563 N -1.28 3.33 2.55 -0.77 0.00 -1.26 -4.66 105.19 103.10 1iqy n GLY 563 Ca 0.08 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 1iqy n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqy n GLY 564 N -1.12 1.55 0.32 -0.02 0.00 -0.26 -4.93 105.19 100.73 1iqy n GLY 564 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1iqy n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqy h ALA 565 N 0.15 -0.43 -3.00 4.61 0.00 -1.81 -3.33 119.26 115.45 1iqy h ALA 565 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1iqy h ALA 565 Cb 1.31 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1iqy h ALA 565 CO 0.59 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1iqy n GLY 566 N -1.40 0.12 0.35 0.00 0.00 -1.23 -4.57 105.19 98.45 1iqy n GLY 566 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1iqy n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iqy h LEU 567 N 0.00 -0.70 -1.75 0.99 3.38 -1.41 0.34 115.31 116.16 1iqy h LEU 567 Ca 0.00 0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1iqy h LEU 567 Cb 0.00 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1iqy h LEU 567 CO 0.00 -0.34 0.25 -0.65 0.09 0.00 0.00 178.44 177.79 1iqy h PRO 568 N 0.00 0.31 0.03 1.13 0.11 -1.84 0.17 132.00 131.91 1iqy h PRO 568 Ca 0.53 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.57 1iqy h PRO 568 Cb 0.97 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.01 1iqy h PRO 568 CO -0.97 0.20 -0.23 1.03 -0.21 0.00 0.00 178.00 177.83 1iqy h SER 569 N 0.32 0.15 -0.01 -2.05 0.87 -0.47 -2.99 113.55 109.36 1iqy h SER 569 Ca 0.16 -0.92 0.02 0.00 -1.23 0.00 0.00 61.79 59.82 1iqy h SER 569 Cb 0.24 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1iqy h SER 569 CO -0.03 1.05 -0.10 1.88 -0.53 0.00 0.00 176.83 179.10 1iqy h TYR 570 N -0.73 -0.26 -0.53 2.24 0.05 -0.84 -2.09 116.97 114.80 1iqy h TYR 570 Ca -0.04 0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.90 1iqy h TYR 570 Cb 1.11 0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.95 1iqy h TYR 570 CO 0.23 -0.16 0.38 0.82 -1.05 0.00 0.00 178.16 178.38 1iqy h ILE 571 N -0.17 0.76 0.00 -2.88 1.08 -0.79 -1.07 117.51 114.44 1iqy h ILE 571 Ca 0.04 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 1iqy h ILE 571 Cb 0.22 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1iqy h ILE 571 CO -0.11 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.36 1iqy h ALA 572 N 1.74 1.00 0.00 1.87 0.00 -1.22 -1.63 119.26 121.02 1iqy h ALA 572 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1iqy h ALA 572 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1iqy h ALA 572 CO -0.02 0.00 -0.28 1.96 0.00 0.00 0.00 179.25 180.92 1iqy h GLN 573 N 0.00 0.00 -6.02 0.00 4.20 -1.27 -3.47 115.11 108.54 1iqy h GLN 573 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1iqy h GLN 573 Cb 0.07 0.00 0.07 0.00 0.30 0.00 0.00 27.48 27.91 1iqy h GLN 573 CO 0.00 0.28 -0.79 -3.47 -0.67 0.00 0.00 178.83 174.18 1iqy n ASP 574 N -3.68 -2.60 -4.85 1.46 4.64 -0.61 -4.96 116.55 105.94 1iqy n ASP 574 Ca -0.01 -0.74 -0.31 0.00 -1.38 0.00 0.00 54.79 52.35 1iqy n ASP 574 Cb 0.39 -4.33 0.03 0.00 -1.04 0.00 0.00 41.12 36.17 1iqy n ASP 574 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1iqy s ARG 575 N -6.03 3.24 -0.21 -0.67 0.52 -1.26 -4.50 118.95 110.04 1iqy s ARG 575 Ca 0.20 0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 55.89 1iqy s ARG 575 Cb -0.09 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.33 1iqy s ARG 575 CO 0.79 -0.84 1.28 0.34 0.02 0.00 0.00 175.30 176.89 1iqy s ASP 576 N -4.07 6.84 0.00 0.23 2.15 -1.26 -1.86 116.67 118.70 1iqy s ASP 576 Ca 0.57 1.52 0.10 0.00 0.43 0.00 0.00 52.55 55.17 1iqy s ASP 576 Cb -0.12 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.05 1iqy s ASP 576 CO 0.54 -0.88 0.84 2.30 -0.17 0.00 0.00 175.17 177.80 1iqy n ILE 577 N 5.68 0.05 -2.56 4.11 -5.35 -0.54 -4.71 119.36 116.03 1iqy n ILE 577 Ca 0.14 -0.52 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 1iqy n ILE 577 Cb 0.45 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.50 1iqy n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1iqy s ASP 578 N -0.84 6.45 0.00 7.28 -1.08 -1.14 -3.78 116.67 123.55 1iqy s ASP 578 Ca 0.12 -1.30 0.00 0.00 -0.52 0.00 0.00 52.55 50.85 1iqy s ASP 578 Cb 0.08 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1iqy s ASP 578 CO 0.13 -1.56 0.00 0.61 0.52 0.00 0.00 175.17 174.87 1iqy n GLY 579 N 6.65 0.63 2.27 2.66 0.00 0.83 -4.98 105.19 113.25 1iqy n GLY 579 Ca 0.28 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1iqy n GLY 579 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iqy n GLN 580 N -0.71 0.52 -2.54 1.61 1.13 -0.03 -4.48 117.38 112.87 1iqy n GLN 580 Ca 0.00 -2.34 -0.43 0.00 -1.94 0.00 0.00 57.00 52.29 1iqy n GLN 580 Cb 0.43 1.54 -0.02 0.00 0.11 0.00 0.00 30.24 32.30 1iqy n GLN 580 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1iqy s ASP 581 N -2.68 6.70 0.30 1.08 -1.08 -1.16 -1.43 116.67 118.41 1iqy s ASP 581 Ca 0.20 0.85 0.05 0.00 -0.52 0.00 0.00 52.55 53.13 1iqy s ASP 581 Cb 0.01 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 1iqy s ASP 581 CO 0.14 -1.12 0.01 0.27 0.52 0.00 0.00 175.17 174.98 1iqy s ILE 582 N 4.31 1.40 -0.04 4.11 -4.36 -1.26 -1.47 121.20 123.88 1iqy s ILE 582 Ca 0.51 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 1iqy s ILE 582 Cb -0.12 -2.64 0.02 0.00 1.25 0.00 0.00 42.46 40.97 1iqy s ILE 582 CO 0.25 -0.15 -0.07 -0.69 0.24 0.00 0.00 174.94 174.52 1iqy s VAL 583 N -3.16 0.70 -0.17 8.37 1.01 0.73 -2.37 120.40 125.50 1iqy s VAL 583 Ca 0.33 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1iqy s VAL 583 Cb 0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1iqy s VAL 583 CO 0.14 0.25 0.03 -0.69 0.00 0.00 0.00 175.10 174.83 1iqy s VAL 584 N 0.66 4.54 -0.27 2.92 1.01 0.11 -1.16 120.40 128.20 1iqy s VAL 584 Ca -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1iqy s VAL 584 Cb -0.13 -3.03 0.04 0.00 0.00 0.00 0.00 36.38 33.27 1iqy s VAL 584 CO 0.01 0.47 -0.05 0.26 0.00 0.00 0.00 175.10 175.80 1iqy s TRP 585 N 0.32 3.20 -0.27 5.22 0.52 0.47 -0.24 118.94 128.17 1iqy s TRP 585 Ca 0.01 -1.89 -0.07 0.00 0.02 0.00 0.00 56.10 54.17 1iqy s TRP 585 Cb -0.13 -2.05 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 1iqy s TRP 585 CO 0.01 -0.80 0.08 -1.58 0.02 0.00 0.00 176.95 174.68 1iqy s HIS 586 N 1.24 3.11 -0.10 -1.98 2.46 -0.25 -0.93 115.29 118.83 1iqy s HIS 586 Ca -0.04 -0.58 -0.21 0.00 0.47 0.00 0.00 55.06 54.69 1iqy s HIS 586 Cb -0.19 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 29.97 1iqy s HIS 586 CO -0.03 -0.43 0.61 0.99 -2.47 0.00 0.00 174.74 173.41 1iqy s THR 587 N 1.59 5.10 -0.18 0.89 2.01 -0.31 -0.72 115.64 124.01 1iqy s THR 587 Ca 0.05 1.23 -0.18 0.00 0.31 0.00 0.00 61.69 63.10 1iqy s THR 587 Cb -0.16 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.46 1iqy s THR 587 CO 0.03 0.26 0.50 0.72 -0.69 0.00 0.00 174.62 175.45 1iqy s PHE 588 N 0.88 -0.55 0.19 4.92 -0.71 -0.50 -4.68 117.98 117.53 1iqy s PHE 588 Ca 0.32 1.32 -0.10 0.00 -1.04 0.00 0.00 56.93 57.43 1iqy s PHE 588 Cb -0.16 0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1iqy s PHE 588 CO 0.14 -0.27 0.50 0.41 -1.34 0.00 0.00 175.22 174.66 1iqy n GLY 589 N 2.74 1.25 3.57 1.99 0.00 -1.26 -0.17 105.19 113.31 1iqy n GLY 589 Ca -0.14 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1iqy n GLY 589 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iqy s LEU 590 N 0.00 3.14 -0.23 0.99 1.43 0.42 -4.69 118.68 119.73 1iqy s LEU 590 Ca 0.10 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1iqy s LEU 590 Cb -0.02 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1iqy s LEU 590 CO 0.06 0.36 0.01 -0.89 0.23 0.00 0.00 176.35 176.11 1iqy s THR 591 N -0.81 3.77 -0.13 5.49 2.01 -1.26 -1.05 115.64 123.67 1iqy s THR 591 Ca 0.12 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1iqy s THR 591 Cb -0.11 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1iqy s THR 591 CO 0.01 0.38 -0.10 -1.00 -0.69 0.00 0.00 174.62 173.23 1iqy s HIS 592 N 1.54 2.88 -0.50 4.92 3.76 0.11 -4.99 115.29 123.01 1iqy s HIS 592 Ca 0.06 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 1iqy s HIS 592 Cb -0.15 -1.85 0.14 0.00 1.11 0.00 0.00 32.58 31.84 1iqy s HIS 592 CO -0.00 -0.07 0.29 -0.06 -0.85 0.00 0.00 174.74 174.05 1iqy s PHE 593 N 0.16 2.38 0.40 1.40 0.08 -1.26 -2.31 117.98 118.83 1iqy s PHE 593 Ca -0.05 -2.71 -0.24 0.00 0.12 0.00 0.00 56.93 54.06 1iqy s PHE 593 Cb -0.15 -2.10 -0.12 0.00 -0.57 0.00 0.00 43.02 40.08 1iqy s PHE 593 CO 0.04 -0.74 0.72 -2.30 -0.10 0.00 0.00 175.22 172.84 1iqy n PRO 594 N 3.13 0.83 -4.14 0.24 -0.02 -1.26 -5.01 135.00 128.77 1iqy n PRO 594 Ca 0.12 0.30 -0.23 0.00 -2.02 0.00 0.00 63.50 61.67 1iqy n PRO 594 Cb 0.35 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1iqy n PRO 594 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1iqy s ARG 595 N -1.68 2.37 0.49 -0.52 0.52 -1.26 -4.80 118.95 114.07 1iqy s ARG 595 Ca 0.63 -1.52 0.18 0.00 -0.52 0.00 0.00 55.73 54.51 1iqy s ARG 595 Cb -0.62 -2.18 1.22 0.00 0.52 0.00 0.00 34.95 33.90 1iqy s ARG 595 CO 0.58 0.16 2.03 0.28 0.02 0.00 0.00 175.30 178.37 1iqy h VAL 596 N 1.61 0.87 0.00 3.52 2.07 -1.87 0.65 116.25 123.11 1iqy h VAL 596 Ca -0.44 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1iqy h VAL 596 Cb 1.25 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1iqy h VAL 596 CO 0.63 0.03 0.00 -1.84 0.02 0.00 0.00 177.57 176.41 1iqy n GLU 597 N -4.45 0.38 0.00 1.57 0.00 -1.26 -2.09 120.64 114.79 1iqy n GLU 597 Ca 0.06 0.05 0.13 0.00 0.00 0.00 0.00 57.16 57.41 1iqy n GLU 597 Cb 0.37 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 30.82 1iqy n GLU 597 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1iqy n ASP 598 N -1.26 0.35 -4.48 -1.84 8.00 0.22 -4.56 116.55 112.98 1iqy n ASP 598 Ca 0.12 -0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.14 1iqy n ASP 598 Cb 0.18 -0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 1iqy n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1iqy s TRP 599 N -2.79 2.65 0.09 1.24 -0.11 -0.89 -2.05 118.94 117.08 1iqy s TRP 599 Ca 0.19 -0.19 0.23 0.00 1.22 0.00 0.00 56.10 57.54 1iqy s TRP 599 Cb 0.19 -1.55 0.79 0.00 -1.50 0.00 0.00 33.47 31.40 1iqy s TRP 599 CO 0.56 0.23 1.77 -1.00 -4.62 0.00 0.00 176.95 173.89 1iqy h PRO 600 N 4.90 0.00 -4.56 5.86 0.13 -1.88 -3.49 132.00 132.97 1iqy h PRO 600 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.26 1iqy h PRO 600 Cb 1.15 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1iqy h PRO 600 CO 0.50 0.26 -0.78 -1.50 -0.23 0.00 0.00 178.00 176.25 1iqy s ILE 601 N -3.56 0.67 0.13 -3.56 2.07 -1.23 -4.72 121.20 111.00 1iqy s ILE 601 Ca 0.01 -0.33 -0.30 0.00 -1.41 0.00 0.00 60.65 58.62 1iqy s ILE 601 Cb 0.10 -0.59 -0.07 0.00 0.13 0.00 0.00 42.46 42.04 1iqy s ILE 601 CO 0.65 0.20 1.10 -0.04 -1.91 0.00 0.00 174.94 174.94 1iqy s MET 602 N 0.03 4.57 0.47 3.50 -1.94 -0.70 -4.69 119.30 120.54 1iqy s MET 602 Ca -0.00 1.67 -0.16 0.00 -1.71 0.00 0.00 55.69 55.49 1iqy s MET 602 Cb -0.06 -3.32 -0.08 0.00 2.01 0.00 0.00 34.83 33.38 1iqy s MET 602 CO -0.00 0.00 0.92 -1.25 -0.01 0.00 0.00 175.02 174.69 1iqy s PRO 603 N 0.12 3.97 0.24 2.03 0.04 -1.26 -4.31 135.00 135.82 1iqy s PRO 603 Ca 0.51 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.11 1iqy s PRO 603 Cb -0.28 -2.21 -0.13 0.00 0.04 0.00 0.00 34.50 31.92 1iqy s PRO 603 CO 0.32 -0.16 1.49 0.28 0.04 0.00 0.00 177.00 178.98 1iqy n VAL 604 N -1.28 0.76 -4.58 -0.36 0.31 -1.26 -4.76 118.33 107.16 1iqy n VAL 604 Ca 0.06 -0.19 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 1iqy n VAL 604 Cb 0.54 -1.61 -0.13 0.00 -0.91 0.00 0.00 33.84 31.74 1iqy n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iqy s ASP 605 N 0.48 3.71 0.18 4.52 2.15 -0.63 -4.94 116.67 122.14 1iqy s ASP 605 Ca 0.69 -0.51 0.07 0.00 0.43 0.00 0.00 52.55 53.24 1iqy s ASP 605 Cb -0.62 -0.52 -0.04 0.00 -0.30 0.00 0.00 42.92 41.43 1iqy s ASP 605 CO 0.47 0.23 -0.14 0.42 -0.17 0.00 0.00 175.17 175.98 1iqy s THR 606 N -0.98 1.56 0.20 1.71 -4.23 -1.26 -0.90 115.64 111.74 1iqy s THR 606 Ca 0.15 -2.11 -0.21 0.00 -1.18 0.00 0.00 61.69 58.34 1iqy s THR 606 Cb -0.10 -1.93 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1iqy s THR 606 CO 0.06 -0.60 0.60 0.54 -0.54 0.00 0.00 174.62 174.68 1iqy s VAL 607 N -2.93 0.01 -1.93 2.29 0.11 -0.94 -5.00 120.40 112.01 1iqy s VAL 607 Ca 0.19 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1iqy s VAL 607 Cb -0.01 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1iqy s VAL 607 CO 0.05 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1iqy n GLY 608 N -0.38 -0.61 3.74 6.54 0.00 -1.26 -1.04 105.19 112.18 1iqy n GLY 608 Ca -0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 1iqy n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iqy s PHE 609 N -3.47 -0.08 0.15 1.61 -0.12 -1.06 -4.12 117.98 110.89 1iqy s PHE 609 Ca 0.00 -0.19 -0.15 0.00 -0.05 0.00 0.00 56.93 56.54 1iqy s PHE 609 Cb 0.00 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1iqy s PHE 609 CO 0.00 -0.70 0.41 -1.59 -0.05 0.00 0.00 175.22 173.29 1iqy s LYS 610 N -2.93 1.18 -0.08 1.99 -2.85 -0.87 -1.99 119.74 114.19 1iqy s LYS 610 Ca 0.14 -0.85 0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1iqy s LYS 610 Cb -0.00 0.46 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 1iqy s LYS 610 CO 0.01 -0.47 -0.15 -0.51 0.10 0.00 0.00 175.35 174.33 1iqy s LEU 611 N -2.86 1.76 0.03 2.77 1.02 0.17 -0.31 118.68 121.27 1iqy s LEU 611 Ca 0.08 -0.37 0.09 0.00 0.02 0.00 0.00 54.13 53.94 1iqy s LEU 611 Cb 0.01 -0.99 -0.03 0.00 0.02 0.00 0.00 46.19 45.21 1iqy s LEU 611 CO -0.07 0.07 -0.25 -0.13 0.02 0.00 0.00 176.35 175.99 1iqy s ARG 612 N 0.59 1.90 0.31 1.70 0.52 0.05 -0.84 118.95 123.17 1iqy s ARG 612 Ca -0.15 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 1iqy s ARG 612 Cb -0.16 -2.02 -0.13 0.00 0.52 0.00 0.00 34.95 33.16 1iqy s ARG 612 CO 0.05 0.53 1.37 -0.35 0.02 0.00 0.00 175.30 176.91 1iqy n PRO 613 N 1.87 2.18 -3.48 3.54 -0.04 -1.26 -0.15 135.00 137.66 1iqy n PRO 613 Ca -0.17 0.77 -0.27 0.00 -0.04 0.00 0.00 63.50 63.80 1iqy n PRO 613 Cb 0.52 -2.40 -0.10 0.00 -0.04 0.00 0.00 33.50 31.48 1iqy n PRO 613 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1iqy n GLU 614 N 1.18 0.95 -0.87 0.54 4.07 -0.30 -4.71 120.64 121.49 1iqy n GLU 614 Ca 0.07 -3.67 0.00 0.00 -0.06 0.00 0.00 57.16 53.50 1iqy n GLU 614 Cb 0.35 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 1iqy n GLU 614 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1iqy n GLY 615 N 2.13 0.47 0.11 8.31 0.00 -1.26 -2.99 105.19 111.95 1iqy n GLY 615 Ca 0.26 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.25 1iqy n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iqy h PHE 616 N 0.00 0.32 -2.68 1.61 3.57 -1.87 -3.36 116.94 114.53 1iqy h PHE 616 Ca 0.00 -0.14 -0.44 0.00 3.53 0.00 0.00 57.97 60.92 1iqy h PHE 616 Cb 0.00 -0.05 0.05 0.00 2.79 0.00 0.00 35.95 38.74 1iqy h PHE 616 CO 0.00 0.88 -0.00 -0.06 -2.23 0.00 0.00 178.31 176.90 1iqy s PHE 617 N -3.52 2.87 -1.10 0.41 0.40 -1.26 -4.85 117.98 110.92 1iqy s PHE 617 Ca -0.15 0.05 0.25 0.00 -0.60 0.00 0.00 56.93 56.47 1iqy s PHE 617 Cb 0.02 -2.81 0.42 0.00 0.51 0.00 0.00 43.02 41.16 1iqy s PHE 617 CO 0.75 -0.94 1.35 -0.25 0.70 0.00 0.00 175.22 176.83 1iqy n ASP 618 N -2.42 0.66 -3.63 1.36 8.00 -1.26 -4.84 116.55 114.41 1iqy n ASP 618 Ca 0.08 -0.45 0.02 0.00 0.71 0.00 0.00 54.79 55.15 1iqy n ASP 618 Cb 0.60 0.35 0.01 0.00 -0.02 0.00 0.00 41.12 42.06 1iqy n ASP 618 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1iqy n ARG 619 N -1.38 0.22 -1.66 -1.24 1.85 -1.26 -4.93 116.66 108.27 1iqy n ARG 619 Ca 0.06 -0.81 -0.46 0.00 -1.00 0.00 0.00 57.85 55.64 1iqy n ARG 619 Cb 0.34 1.29 -0.04 0.00 -1.05 0.00 0.00 32.46 33.00 1iqy n ARG 619 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1iqy n SER 620 N -1.06 2.76 -0.43 2.89 2.88 -1.26 -4.87 113.62 114.53 1iqy n SER 620 Ca 0.04 1.11 0.08 0.00 -1.33 0.00 0.00 58.87 58.77 1iqy n SER 620 Cb 0.55 -1.39 0.32 0.00 -0.75 0.00 0.00 64.21 62.94 1iqy n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1iqy n PRO 621 N 2.78 1.56 -0.51 -1.46 -0.04 -1.26 -4.06 135.00 132.01 1iqy n PRO 621 Ca 0.15 -0.85 0.04 0.00 -0.04 0.00 0.00 63.50 62.80 1iqy n PRO 621 Cb 0.28 -1.31 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 1iqy n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1iqy n VAL 622 N 0.11 2.25 0.22 0.52 0.24 -1.26 -4.64 118.33 115.76 1iqy n VAL 622 Ca 0.13 -2.66 0.10 0.00 -2.04 0.00 0.00 64.34 59.88 1iqy n VAL 622 Cb 0.25 -0.27 0.36 0.00 -1.47 0.00 0.00 33.84 32.72 1iqy n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1iqy h LEU 623 N 0.88 0.00 -0.87 1.34 3.38 -1.98 -3.09 115.31 114.97 1iqy h LEU 623 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1iqy h LEU 623 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1iqy h LEU 623 CO 0.15 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 177.98 1iqy n ASP 624 N -3.26 1.31 -4.72 -0.43 5.75 -1.26 -4.86 116.55 109.08 1iqy n ASP 624 Ca 0.01 -1.60 -0.41 0.00 -0.01 0.00 0.00 54.79 52.78 1iqy n ASP 624 Cb 0.48 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.47 1iqy n ASP 624 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1iqy s VAL 625 N -1.87 4.14 1.03 2.12 -7.23 -1.17 -5.02 120.40 112.41 1iqy s VAL 625 Ca 0.33 1.67 -0.15 0.00 -1.81 0.00 0.00 61.98 62.02 1iqy s VAL 625 Cb 0.17 -4.07 0.21 0.00 0.56 0.00 0.00 36.38 33.25 1iqy s VAL 625 CO 0.27 0.21 1.14 -2.16 -0.31 0.00 0.00 175.10 174.25 1iqy s PRO 626 N 0.36 0.13 -0.01 4.82 0.04 -1.26 -5.02 135.00 134.06 1iqy s PRO 626 Ca 0.53 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1iqy s PRO 626 Cb -0.28 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1iqy s PRO 626 CO 0.31 -2.85 0.78 0.00 0.04 0.00 0.00 177.00 175.29 1iqy h ALA 627 N -1.96 -0.71 0.00 8.56 0.00 -1.95 -3.46 119.26 119.74 1iqy h ALA 627 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1iqy h ALA 627 Cb 1.31 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1iqy h ALA 627 CO 0.49 -0.67 0.00 0.09 0.00 0.00 0.00 179.25 179.16