#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuk s ARG 9 N 0.00 1.15 0.54 1.45 3.52 -1.26 -5.13 118.95 119.21 3iuk s ARG 9 Ca 0.00 -0.90 -0.21 0.00 -0.13 0.00 0.00 55.73 54.49 3iuk s ARG 9 Cb 0.00 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 3iuk s ARG 9 CO 0.00 -0.71 1.24 -2.14 -0.81 0.00 0.00 175.30 172.88 3iuk s PRO 10 N 1.54 3.27 0.32 5.12 0.02 -1.26 -4.93 135.00 139.09 3iuk s PRO 10 Ca -0.00 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 3iuk s PRO 10 Cb -0.18 -2.18 -0.10 0.00 0.02 0.00 0.00 34.50 32.06 3iuk s PRO 10 CO -0.11 -1.00 1.29 0.15 -0.33 0.00 0.00 177.00 177.00 3iuk s LYS 11 N -3.00 4.39 0.64 5.54 -0.14 -1.26 -5.02 119.74 120.89 3iuk s LYS 11 Ca 0.71 2.17 0.06 0.00 -1.36 0.00 0.00 55.97 57.55 3iuk s LYS 11 Cb -0.33 -3.09 0.11 0.00 -1.68 0.00 0.00 37.83 32.84 3iuk s LYS 11 CO 0.38 -0.15 0.88 -1.54 -0.76 0.00 0.00 175.35 174.16 3iuk s SER 12 N -0.49 4.76 0.23 2.83 1.04 -1.26 -4.96 113.70 115.86 3iuk s SER 12 Ca 0.49 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 56.19 3iuk s SER 12 Cb -0.39 0.21 0.24 0.00 0.10 0.00 0.00 66.02 66.18 3iuk s SER 12 CO 0.51 -1.58 1.78 0.00 0.98 0.00 0.00 173.24 174.93 3iuk h ALA 13 N -0.13 1.08 -0.46 5.32 0.00 -1.97 -1.98 119.26 121.13 3iuk h ALA 13 Ca -0.32 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3iuk h ALA 13 Cb 1.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3iuk h ALA 13 CO 0.40 0.62 -0.22 0.82 0.00 0.00 0.00 179.25 180.88 3iuk h ILE 14 N 1.01 1.27 -0.79 0.00 2.04 -1.95 -2.49 117.51 116.60 3iuk h ILE 14 Ca 0.22 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.74 3iuk h ILE 14 Cb 0.29 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3iuk h ILE 14 CO -0.01 0.47 0.52 0.44 0.00 0.00 0.00 178.15 179.57 3iuk h ASP 15 N 0.82 0.84 -0.65 1.72 3.32 -1.88 -2.15 116.42 118.44 3iuk h ASP 15 Ca 0.11 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3iuk h ASP 15 Cb 0.78 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3iuk h ASP 15 CO 0.06 0.58 0.12 0.00 -1.72 0.00 0.00 179.24 178.28 3iuk h ALA 16 N 1.54 0.96 -0.34 3.45 0.00 -0.94 0.18 119.26 124.10 3iuk h ALA 16 Ca 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iuk h ALA 16 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3iuk h ALA 16 CO -0.09 0.66 0.18 0.28 0.00 0.00 0.00 179.25 180.27 3iuk h VAL 17 N 1.02 1.15 -0.33 0.00 2.07 -1.18 -0.11 116.25 118.87 3iuk h VAL 17 Ca 0.20 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3iuk h VAL 17 Cb 0.42 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3iuk h VAL 17 CO 0.01 0.16 0.13 0.00 0.02 0.00 0.00 177.57 177.88 3iuk h ALA 18 N 1.04 0.44 -0.67 1.67 0.00 -1.22 -0.74 119.26 119.77 3iuk h ALA 18 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iuk h ALA 18 Cb 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3iuk h ALA 18 CO -0.02 0.04 0.18 -0.44 0.00 0.00 0.00 179.25 179.01 3iuk h ASP 19 N 0.39 1.01 -0.31 0.00 3.32 -0.54 -1.04 116.42 119.25 3iuk h ASP 19 Ca 0.11 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3iuk h ASP 19 Cb 0.20 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3iuk h ASP 19 CO -0.01 0.97 -0.06 0.00 -1.72 0.00 0.00 179.24 178.42 3iuk h ALA 20 N 1.07 0.43 -0.60 3.45 0.00 -0.82 -1.77 119.26 121.02 3iuk h ALA 20 Ca 0.21 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3iuk h ALA 20 Cb 0.35 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3iuk h ALA 20 CO -0.00 0.25 0.35 -0.92 0.00 0.00 0.00 179.25 178.93 3iuk h TYR 21 N 0.37 0.65 -0.46 0.00 3.20 -1.02 -1.87 116.97 117.85 3iuk h TYR 21 Ca 0.08 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3iuk h TYR 21 Cb 0.55 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 3iuk h TYR 21 CO 0.05 0.35 0.21 1.15 -1.64 0.00 0.00 178.16 178.28 3iuk h THR 22 N 0.68 0.93 -0.91 1.81 2.02 -1.06 0.47 112.91 116.85 3iuk h THR 22 Ca 0.25 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3iuk h THR 22 Cb 0.08 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 3iuk h THR 22 CO -0.13 0.08 0.60 -0.33 0.37 0.00 0.00 175.52 176.11 3iuk h GLU 23 N 0.42 1.13 -0.48 6.66 4.39 -0.87 -0.64 114.58 125.19 3iuk h GLU 23 Ca 0.21 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 3iuk h GLU 23 Cb 0.14 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3iuk h GLU 23 CO -0.17 0.75 0.05 -0.22 -1.16 0.00 0.00 179.01 178.27 3iuk h LYS 24 N 1.17 0.81 -0.88 2.33 1.63 -0.82 0.88 116.57 121.69 3iuk h LYS 24 Ca 0.35 -0.23 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 3iuk h LYS 24 Cb -0.03 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 3iuk h LYS 24 CO -0.10 0.83 0.52 -0.07 -3.45 0.00 0.00 179.45 177.19 3iuk h LEU 25 N 0.68 1.06 -0.38 5.20 3.38 -0.30 0.03 115.31 124.99 3iuk h LEU 25 Ca 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3iuk h LEU 25 Cb 0.43 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3iuk h LEU 25 CO 0.01 0.82 0.13 0.40 0.09 0.00 0.00 178.44 179.89 3iuk h ILE 26 N 1.22 1.21 -0.82 1.22 2.04 -0.73 -0.51 117.51 121.14 3iuk h ILE 26 Ca 0.32 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3iuk h ILE 26 Cb -0.04 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3iuk h ILE 26 CO -0.06 0.23 0.49 -0.08 0.00 0.00 0.00 178.15 178.73 3iuk h GLU 27 N 0.46 1.12 -0.01 2.37 4.81 -0.32 -2.91 114.58 120.11 3iuk h GLU 27 Ca 0.12 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 3iuk h GLU 27 Cb 0.23 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3iuk h GLU 27 CO -0.01 0.80 -0.71 -0.07 -0.73 0.00 0.00 179.01 178.29 3iuk h LEU 28 N 1.13 0.06 -7.01 1.64 3.38 -0.82 -3.39 115.31 110.30 3iuk h LEU 28 Ca 0.29 -0.04 -0.61 0.00 0.09 0.00 0.00 57.88 57.61 3iuk h LEU 28 Cb -0.03 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.30 3iuk h LEU 28 CO -0.05 0.75 -0.72 0.21 0.09 0.00 0.00 178.44 178.72 3iuk s ASN 29 N -6.84 3.73 0.46 -0.43 3.84 -0.21 -4.29 114.94 111.19 3iuk s ASN 29 Ca -0.01 -2.88 0.15 0.00 0.21 0.00 0.00 52.86 50.33 3iuk s ASN 29 Cb 0.12 -1.16 1.09 0.00 -0.55 0.00 0.00 41.25 40.75 3iuk s ASN 29 CO 0.78 -0.23 2.01 -0.65 -2.79 0.00 0.00 177.10 176.22 3iuk h PRO 30 N 6.43 0.31 -0.36 0.43 0.11 -1.77 -1.85 132.00 135.30 3iuk h PRO 30 Ca 0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3iuk h PRO 30 Cb 0.90 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 3iuk h PRO 30 CO 0.54 0.20 0.12 0.77 -0.21 0.00 0.00 178.00 179.42 3iuk h SER 31 N 0.32 0.47 -0.23 -2.05 0.02 -1.87 -1.48 113.55 108.72 3iuk h SER 31 Ca 0.23 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3iuk h SER 31 Cb 0.49 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3iuk h SER 31 CO -0.05 0.45 -0.03 0.15 -1.14 0.00 0.00 176.83 176.21 3iuk h PHE 32 N 0.51 0.48 -0.92 3.45 3.57 -1.70 -2.39 116.94 119.92 3iuk h PHE 32 Ca 0.12 -0.09 0.26 0.00 3.53 0.00 0.00 57.97 61.79 3iuk h PHE 32 Cb 0.14 -0.12 -0.14 0.00 2.79 0.00 0.00 35.95 38.62 3iuk h PHE 32 CO 0.01 0.63 0.36 0.00 -2.23 0.00 0.00 178.31 177.08 3iuk h ALA 33 N 0.78 1.52 -0.13 2.41 0.00 -1.10 -2.01 119.26 120.72 3iuk h ALA 33 Ca 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3iuk h ALA 33 Cb 0.46 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iuk h ALA 33 CO 0.02 -0.49 -0.05 1.15 0.00 0.00 0.00 179.25 179.88 3iuk h THR 34 N 0.27 1.30 -0.09 0.00 2.02 -1.13 -1.96 112.91 113.31 3iuk h THR 34 Ca 0.61 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.79 3iuk h THR 34 Cb 1.29 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 3iuk h THR 34 CO -0.63 0.30 0.07 0.71 0.37 0.00 0.00 175.52 176.34 3iuk h THR 35 N -0.06 0.83 0.00 3.16 1.35 -0.92 0.33 112.91 117.61 3iuk h THR 35 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3iuk h THR 35 Cb 0.49 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3iuk h THR 35 CO 0.02 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.47 3iuk n LEU 36 N -4.33 0.00 -0.06 3.87 4.77 -0.80 -4.92 117.00 115.52 3iuk n LEU 36 Ca -0.01 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 3iuk n LEU 36 Cb 0.18 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3iuk n LEU 36 CO 0.33 -0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.99 3iuk n GLY 37 N 1.15 0.48 3.68 -0.72 0.00 0.11 -5.03 105.19 104.86 3iuk n GLY 37 Ca 0.18 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3iuk n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iuk s LEU 38 N -0.19 4.21 0.87 0.99 1.02 -0.75 -5.03 118.68 119.80 3iuk s LEU 38 Ca 0.00 1.21 -0.12 0.00 0.02 0.00 0.00 54.13 55.24 3iuk s LEU 38 Cb 0.00 -3.23 0.11 0.00 0.02 0.00 0.00 46.19 43.09 3iuk s LEU 38 CO 0.00 -0.34 1.10 -2.16 0.02 0.00 0.00 176.35 174.97 3iuk s PRO 39 N 1.85 1.47 0.00 1.29 0.04 -1.26 -4.45 135.00 133.95 3iuk s PRO 39 Ca 0.39 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3iuk s PRO 39 Cb -0.17 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3iuk s PRO 39 CO 0.14 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.55 3iuk n GLY 40 N -1.66 1.48 2.50 0.56 0.00 -1.26 -4.90 105.19 101.90 3iuk n GLY 40 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3iuk n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iuk n HIS 41 N 0.00 2.01 0.31 1.61 8.25 -1.26 -4.88 115.22 121.26 3iuk n HIS 41 Ca 0.00 -2.40 0.20 0.00 -0.26 0.00 0.00 57.72 55.26 3iuk n HIS 41 Cb 0.00 -0.27 0.97 0.00 1.12 0.00 0.00 29.99 31.82 3iuk n HIS 41 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3iuk h GLU 42 N 2.53 0.00 -0.02 -0.41 3.07 -1.90 -2.44 114.58 115.41 3iuk h GLU 42 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3iuk h GLU 42 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3iuk h GLU 42 CO 0.51 0.00 -0.09 0.25 -1.40 0.00 0.00 179.01 178.28 3iuk n THR 43 N -3.08 0.00 -4.04 1.13 -2.24 -1.26 -4.76 114.28 100.03 3iuk n THR 43 Ca -0.01 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 3iuk n THR 43 Cb 0.18 1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 3iuk n THR 43 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3iuk s GLU 44 N -1.81 3.10 0.28 -0.78 2.02 -0.92 -3.92 118.70 116.67 3iuk s GLU 44 Ca 0.22 -0.83 0.12 0.00 0.02 0.00 0.00 54.97 54.50 3iuk s GLU 44 Cb 0.17 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 3iuk s GLU 44 CO 0.31 0.47 -0.18 0.71 0.02 0.00 0.00 175.26 176.58 3iuk s TYR 45 N -1.85 2.33 0.96 1.61 2.02 -1.26 -3.67 117.35 117.48 3iuk s TYR 45 Ca 0.33 -0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 3iuk s TYR 45 Cb -0.10 -1.01 0.17 0.00 -0.40 0.00 0.00 41.96 40.62 3iuk s TYR 45 CO 0.26 0.71 1.10 1.14 -1.57 0.00 0.00 175.55 177.18 3iuk s GLN 46 N -3.52 0.70 -0.66 -0.62 -2.07 -1.26 -4.59 119.66 107.64 3iuk s GLN 46 Ca 0.30 1.16 -0.27 0.00 -1.82 0.00 0.00 55.36 54.72 3iuk s GLN 46 Cb -0.05 -1.72 0.03 0.00 -1.09 0.00 0.00 33.01 30.18 3iuk s GLN 46 CO 0.15 -2.72 1.23 0.34 -1.32 0.00 0.00 175.29 172.97 3iuk s ASP 47 N -2.89 6.30 0.00 12.60 -1.08 -1.26 -4.85 116.67 125.49 3iuk s ASP 47 Ca 0.66 -0.20 0.30 0.00 -0.52 0.00 0.00 52.55 52.79 3iuk s ASP 47 Cb -0.22 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.22 3iuk s ASP 47 CO 0.59 -1.65 2.05 -1.22 0.52 0.00 0.00 175.17 175.46 3iuk n TYR 48 N 8.87 0.00 -1.44 -5.34 4.01 -1.26 -4.18 117.16 117.82 3iuk n TYR 48 Ca 0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.51 3iuk n TYR 48 Cb 0.49 -0.27 0.14 0.00 -0.31 0.00 0.00 39.34 39.39 3iuk n TYR 48 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3iuk s SER 49 N -2.55 3.35 0.48 7.72 1.04 -1.13 -4.20 113.70 118.41 3iuk s SER 49 Ca 0.29 1.05 0.17 0.00 0.48 0.00 0.00 55.95 57.95 3iuk s SER 49 Cb 0.20 -1.67 1.17 0.00 0.10 0.00 0.00 66.02 65.83 3iuk s SER 49 CO 0.45 -2.66 2.02 -0.65 0.98 0.00 0.00 173.24 173.38 3iuk h PRO 50 N -1.57 0.22 -0.46 4.02 0.11 -1.87 -1.33 132.00 131.12 3iuk h PRO 50 Ca -0.51 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3iuk h PRO 50 Cb 1.33 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3iuk h PRO 50 CO 0.61 0.14 0.01 0.00 -0.21 0.00 0.00 178.00 178.55 3iuk h ALA 51 N 1.77 0.62 -0.47 -0.75 0.00 -1.92 0.68 119.26 119.19 3iuk h ALA 51 Ca 0.21 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3iuk h ALA 51 Cb 0.55 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3iuk h ALA 51 CO -0.04 0.40 0.22 0.78 0.00 0.00 0.00 179.25 180.61 3iuk h GLY 52 N 0.65 0.64 1.02 0.00 0.00 -1.44 -0.92 103.07 103.03 3iuk h GLY 52 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3iuk h GLY 52 CO 0.02 0.09 0.46 0.00 0.00 0.00 0.00 176.54 177.11 3iuk h ALA 53 N 1.26 1.06 -0.16 3.60 0.00 -0.95 -1.69 119.26 122.38 3iuk h ALA 53 Ca 0.21 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3iuk h ALA 53 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3iuk h ALA 53 CO -0.16 0.56 -0.53 0.00 0.00 0.00 0.00 179.25 179.11 3iuk h ALA 54 N 1.25 0.78 -0.54 0.00 0.00 -0.64 -0.59 119.26 119.52 3iuk h ALA 54 Ca 0.29 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3iuk h ALA 54 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iuk h ALA 54 CO -0.05 0.68 0.15 0.00 0.00 0.00 0.00 179.25 180.04 3iuk h ALA 55 N 1.06 0.71 -0.54 0.00 0.00 -0.83 -0.60 119.26 119.05 3iuk h ALA 55 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3iuk h ALA 55 Cb 1.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3iuk h ALA 55 CO 0.10 0.39 0.21 1.25 0.00 0.00 0.00 179.25 181.19 3iuk h HIS 56 N 0.75 0.84 -0.54 0.00 6.17 -1.13 -1.32 115.15 119.92 3iuk h HIS 56 Ca 0.17 -0.07 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 3iuk h HIS 56 Cb 0.30 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 29.96 3iuk h HIS 56 CO 0.02 0.69 0.16 0.00 0.71 0.00 0.00 177.93 179.51 3iuk h ALA 57 N 1.06 1.26 -0.22 5.26 0.00 -0.88 -0.79 119.26 124.95 3iuk h ALA 57 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3iuk h ALA 57 Cb 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iuk h ALA 57 CO -0.01 0.52 -0.35 1.49 0.00 0.00 0.00 179.25 180.91 3iuk h GLU 58 N 0.79 0.62 -0.90 0.00 4.57 -0.73 -1.23 114.58 117.70 3iuk h GLU 58 Ca 0.18 -0.37 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3iuk h GLU 58 Cb 0.25 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.82 3iuk h GLU 58 CO -0.01 0.98 0.59 0.00 -1.18 0.00 0.00 179.01 179.40 3iuk h ALA 59 N 0.62 1.53 -0.16 2.92 0.00 -0.93 -2.02 119.26 121.23 3iuk h ALA 59 Ca 0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3iuk h ALA 59 Cb 0.93 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iuk h ALA 59 CO 0.08 0.33 -0.22 1.15 0.00 0.00 0.00 179.25 180.58 3iuk h THR 60 N 1.01 1.35 -0.43 0.00 2.02 -0.82 -2.15 112.91 113.88 3iuk h THR 60 Ca 0.39 -1.44 0.07 0.00 0.77 0.00 0.00 66.41 66.21 3iuk h THR 60 Cb 0.23 1.91 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 3iuk h THR 60 CO -0.15 0.43 0.06 -0.09 0.37 0.00 0.00 175.52 176.14 3iuk h ARG 61 N 0.07 0.18 -0.58 6.66 2.43 -1.05 -1.74 114.38 120.35 3iuk h ARG 61 Ca 0.02 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3iuk h ARG 61 Cb 0.79 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3iuk h ARG 61 CO 0.05 0.12 0.19 -0.07 -1.51 0.00 0.00 179.97 178.75 3iuk h LEU 62 N 0.19 0.81 -0.43 3.80 3.38 -1.28 -1.50 115.31 120.27 3iuk h LEU 62 Ca 0.21 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3iuk h LEU 62 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3iuk h LEU 62 CO -0.30 0.76 -0.00 0.00 0.09 0.00 0.00 178.44 178.99 3iuk h ALA 63 N 1.36 0.59 -0.67 1.53 0.00 -0.98 0.37 119.26 121.45 3iuk h ALA 63 Ca 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iuk h ALA 63 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3iuk h ALA 63 CO -0.01 0.38 0.29 -0.07 0.00 0.00 0.00 179.25 179.83 3iuk h LEU 64 N 0.61 0.90 -1.22 0.00 3.38 -1.11 -2.52 115.31 115.35 3iuk h LEU 64 Ca 0.12 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3iuk h LEU 64 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3iuk h LEU 64 CO 0.02 0.81 -0.13 -0.33 0.09 0.00 0.00 178.44 178.90 3iuk h GLU 65 N 0.93 0.39 0.00 1.13 5.08 -0.93 -1.55 114.58 119.64 3iuk h GLU 65 Ca 0.22 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3iuk h GLU 65 Cb 0.17 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iuk h GLU 65 CO -0.02 0.52 -0.13 0.00 -1.00 0.00 0.00 179.01 178.38 3iuk h ALA 66 N 1.51 1.28 0.00 3.43 0.00 -0.59 -2.74 119.26 122.14 3iuk h ALA 66 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iuk h ALA 66 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iuk h ALA 66 CO 0.03 0.16 -0.53 -0.07 0.00 0.00 0.00 179.25 178.83 3iuk h LEU 67 N 0.00 0.00 -9.65 0.00 3.38 -0.88 -3.46 115.31 104.71 3iuk h LEU 67 Ca -0.00 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3iuk h LEU 67 Cb 0.36 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.18 3iuk h LEU 67 CO 0.02 0.00 0.79 0.00 0.09 0.00 0.00 178.44 179.34 3iuk n ALA 68 N -2.13 1.86 -0.62 1.53 0.00 -0.99 -1.67 120.51 118.50 3iuk n ALA 68 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3iuk n ALA 68 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3iuk n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuk n GLY 69 N 2.67 0.21 3.72 0.00 0.00 -1.26 -4.99 105.19 105.53 3iuk n GLY 69 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3iuk n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iuk s LEU 70 N 0.00 4.39 0.06 0.99 1.43 -0.67 -5.00 118.68 119.88 3iuk s LEU 70 Ca 0.00 2.14 -0.20 0.00 -1.03 0.00 0.00 54.13 55.03 3iuk s LEU 70 Cb 0.00 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 3iuk s LEU 70 CO 0.00 -0.48 0.60 -1.61 0.23 0.00 0.00 176.35 175.09 3iuk s GLU 71 N 0.72 4.28 0.28 1.70 0.41 -1.26 -5.04 118.70 119.79 3iuk s GLU 71 Ca 0.58 0.79 -0.29 0.00 -0.41 0.00 0.00 54.97 55.64 3iuk s GLU 71 Cb -0.32 -3.27 -0.10 0.00 -1.78 0.00 0.00 34.13 28.66 3iuk s GLU 71 CO 0.31 0.55 1.31 -1.25 -0.49 0.00 0.00 175.26 175.70 3iuk s PRO 72 N -0.85 4.37 0.42 0.39 0.04 -1.26 -4.90 135.00 133.21 3iuk s PRO 72 Ca 0.30 2.16 0.23 0.00 0.04 0.00 0.00 61.00 63.74 3iuk s PRO 72 Cb -0.20 -3.11 0.59 0.00 0.04 0.00 0.00 34.50 31.82 3iuk s PRO 72 CO 0.19 -0.21 1.69 0.66 0.04 0.00 0.00 177.00 179.37 3iuk h SER 73 N 4.14 0.00 -1.30 6.66 4.64 -1.96 -3.48 113.55 122.26 3iuk h SER 73 Ca -0.47 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3iuk h SER 73 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3iuk h SER 73 CO 0.70 0.17 0.16 -0.90 -0.87 0.00 0.00 176.83 176.09 3iuk n ASP 74 N -3.20 -0.59 0.20 4.97 5.68 -1.26 -5.03 116.55 117.33 3iuk n ASP 74 Ca 0.02 -1.34 0.07 0.00 -0.50 0.00 0.00 54.79 53.04 3iuk n ASP 74 Cb 0.52 0.96 0.39 0.00 -1.14 0.00 0.00 41.12 41.85 3iuk n ASP 74 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3iuk h ASP 75 N 0.62 0.00 -0.10 -1.12 3.32 -2.00 -2.04 116.42 115.09 3iuk h ASP 75 Ca -0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3iuk h ASP 75 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3iuk h ASP 75 CO 0.12 0.33 -0.01 0.58 -1.72 0.00 0.00 179.24 178.54 3iuk h VAL 76 N 0.00 1.27 -0.69 -1.35 2.07 -1.96 -2.55 116.25 113.04 3iuk h VAL 76 Ca -0.00 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.69 3iuk h VAL 76 Cb 0.80 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 3iuk h VAL 76 CO 0.04 0.25 0.38 0.44 0.02 0.00 0.00 177.57 178.71 3iuk h ASP 77 N -0.11 0.57 -0.63 0.57 3.32 -1.87 -1.12 116.42 117.14 3iuk h ASP 77 Ca 0.03 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.19 3iuk h ASP 77 Cb 0.40 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 3iuk h ASP 77 CO 0.01 0.36 0.30 0.00 -1.72 0.00 0.00 179.24 178.19 3iuk h ALA 78 N 1.36 0.84 -0.58 3.45 0.00 -1.24 0.19 119.26 123.29 3iuk h ALA 78 Ca 0.31 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3iuk h ALA 78 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3iuk h ALA 78 CO -0.19 -0.07 0.20 0.28 0.00 0.00 0.00 179.25 179.47 3iuk h VAL 79 N 0.55 1.23 -0.37 0.00 2.07 -1.00 -2.22 116.25 116.52 3iuk h VAL 79 Ca 0.30 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3iuk h VAL 79 Cb 0.28 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3iuk h VAL 79 CO -0.24 0.29 0.24 0.74 0.02 0.00 0.00 177.57 178.63 3iuk h THR 80 N 0.80 1.10 -0.70 2.57 2.02 -0.43 0.20 112.91 118.48 3iuk h THR 80 Ca 0.19 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3iuk h THR 80 Cb 0.25 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 3iuk h THR 80 CO -0.01 0.10 0.43 -0.07 0.37 0.00 0.00 175.52 176.33 3iuk h LEU 81 N 0.50 0.68 -0.03 2.58 3.38 -0.91 -3.08 115.31 118.43 3iuk h LEU 81 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3iuk h LEU 81 Cb -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3iuk h LEU 81 CO -0.03 0.46 -0.08 -0.78 0.09 0.00 0.00 178.44 178.10 3iuk h ASP 82 N 0.82 0.12 0.00 -0.43 3.58 -0.75 -1.42 116.42 118.34 3iuk h ASP 82 Ca 0.29 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3iuk h ASP 82 Cb 0.08 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3iuk h ASP 82 CO -0.13 0.70 0.00 0.00 -2.88 0.00 0.00 179.24 176.93 3iuk n ALA 83 N -2.43 1.28 0.00 -0.78 0.00 0.65 -1.53 120.51 117.69 3iuk n ALA 83 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3iuk n ALA 83 Cb 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3iuk n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iuk n ARG 85 N 0.56 0.00 -0.03 0.00 1.74 -0.54 -1.08 116.66 117.31 3iuk n ARG 85 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3iuk n ARG 85 Cb 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.37 3iuk n ARG 85 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3iuk h GLU 86 N 0.00 0.15 0.13 5.56 4.22 -1.53 -1.39 114.58 121.72 3iuk h GLU 86 Ca 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.31 3iuk h GLU 86 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3iuk h GLU 86 CO 0.00 0.78 -0.06 0.00 -2.18 0.00 0.00 179.01 177.55 3iuk h ARG 87 N -0.44 -0.16 -0.51 1.92 2.47 -1.36 -2.61 114.38 113.68 3iuk h ARG 87 Ca -0.01 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 3iuk h ARG 87 Cb 0.81 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 3iuk h ARG 87 CO 0.03 0.24 -0.07 -0.07 0.56 0.00 0.00 179.97 180.66 3iuk h LEU 88 N -0.62 0.95 -0.92 3.04 4.07 -1.78 -1.34 115.31 118.70 3iuk h LEU 88 Ca -0.02 -0.34 0.01 0.00 0.08 0.00 0.00 57.88 57.61 3iuk h LEU 88 Cb 0.48 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 3iuk h LEU 88 CO 0.03 1.06 0.61 1.23 -1.08 0.00 0.00 178.44 180.29 3iuk h GLY 89 N 0.81 1.30 1.34 0.83 0.00 -1.32 -1.91 103.07 104.13 3iuk h GLY 89 Ca 0.14 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 3iuk h GLY 89 CO 0.04 0.48 -0.17 -2.00 0.00 0.00 0.00 176.54 174.89 3iuk h LEU 90 N 1.25 0.77 -1.15 3.11 5.85 -1.18 -1.10 115.31 122.87 3iuk h LEU 90 Ca 0.34 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3iuk h LEU 90 Cb -0.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3iuk h LEU 90 CO -0.07 0.94 0.41 -0.33 -0.34 0.00 0.00 178.44 179.05 3iuk h GLU 91 N 0.68 1.00 -0.05 1.25 5.08 -0.81 0.07 114.58 121.80 3iuk h GLU 91 Ca 0.11 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.12 3iuk h GLU 91 Cb 0.66 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.72 3iuk h GLU 91 CO 0.05 0.72 -0.95 -0.07 -1.00 0.00 0.00 179.01 177.76 3iuk h LEU 92 N 1.01 0.89 -0.73 1.33 3.38 -0.99 -1.01 115.31 119.18 3iuk h LEU 92 Ca 0.26 -0.67 0.06 0.00 0.09 0.00 0.00 57.88 57.62 3iuk h LEU 92 Cb -0.00 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 3iuk h LEU 92 CO -0.04 1.47 0.43 -0.33 0.09 0.00 0.00 178.44 180.05 3iuk h GLU 93 N 0.43 0.76 -0.44 1.13 5.08 -0.71 0.33 114.58 121.16 3iuk h GLU 93 Ca -0.10 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 3iuk h GLU 93 Cb 1.59 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 3iuk h GLU 93 CO 0.19 0.51 -0.02 0.82 -1.00 0.00 0.00 179.01 179.51 3iuk h ILE 94 N 0.79 1.26 -0.42 3.13 2.04 -0.90 -1.91 117.51 121.50 3iuk h ILE 94 Ca 0.33 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3iuk h ILE 94 Cb 0.18 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3iuk h ILE 94 CO -0.18 0.37 0.17 -0.74 0.00 0.00 0.00 178.15 177.78 3iuk h HIS 95 N 0.64 0.32 0.00 1.37 2.76 -0.89 -2.50 115.15 116.84 3iuk h HIS 95 Ca 0.12 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 3iuk h HIS 95 Cb 0.52 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3iuk h HIS 95 CO 0.04 0.14 -0.17 1.96 -1.30 0.00 0.00 177.93 178.60 3iuk h GLN 96 N 0.36 0.00 0.00 5.26 4.20 -0.81 -2.40 115.11 121.72 3iuk h GLN 96 Ca 0.19 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3iuk h GLN 96 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3iuk h GLN 96 CO -0.17 0.17 -0.18 0.66 -0.67 0.00 0.00 178.83 178.64 3iuk h SER 97 N 0.00 0.00 0.00 1.46 4.64 -0.88 -3.47 113.55 115.31 3iuk h SER 97 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iuk h SER 97 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3iuk h SER 97 CO 0.02 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3iuk n GLY 98 N -0.45 3.18 0.23 -0.77 0.00 -0.90 -4.89 105.19 101.58 3iuk n GLY 98 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3iuk n GLY 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3iuk h TRP 99 N 0.00 0.00 -0.75 1.61 4.06 -1.84 -3.05 115.95 115.99 3iuk h TRP 99 Ca 0.00 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.10 3iuk h TRP 99 Cb 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.06 3iuk h TRP 99 CO 0.00 0.01 0.26 0.38 -3.56 0.00 0.00 178.44 175.53 3iuk h ASP 100 N 0.00 0.19 0.56 -3.49 2.03 -1.89 -1.30 116.42 112.52 3iuk h ASP 100 Ca -0.00 0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.41 3iuk h ASP 100 Cb 0.88 0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 39.50 3iuk h ASP 100 CO 0.00 0.05 -0.04 0.00 -1.03 0.00 0.00 179.24 178.23 3iuk h ALA 101 N 1.57 1.06 -0.01 4.15 0.00 -1.85 -2.58 119.26 121.60 3iuk h ALA 101 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3iuk h ALA 101 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iuk h ALA 101 CO -0.44 0.04 -0.18 0.00 0.00 0.00 0.00 179.25 178.68 3iuk n ALA 102 N -2.13 2.92 -1.70 0.00 0.00 -0.50 -3.12 120.51 115.97 3iuk n ALA 102 Ca -0.01 -0.41 -0.54 0.00 0.00 0.00 0.00 53.44 52.47 3iuk n ALA 102 Cb 0.22 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 3iuk n ALA 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iuk n ASP 103 N -0.40 2.78 -3.50 0.00 2.03 -0.97 -4.37 116.55 112.11 3iuk n ASP 103 Ca 0.14 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.49 3iuk n ASP 103 Cb 0.35 -1.22 -0.04 0.00 -0.72 0.00 0.00 41.12 39.49 3iuk n ASP 103 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3iuk s LEU 104 N 3.80 -0.83 0.37 -2.67 0.20 -1.26 -4.63 118.68 113.67 3iuk s LEU 104 Ca 0.97 1.13 -0.11 0.00 0.69 0.00 0.00 54.13 56.80 3iuk s LEU 104 Cb -0.94 1.94 0.04 0.00 -0.43 0.00 0.00 46.19 46.80 3iuk s LEU 104 CO 0.61 -0.16 0.68 0.54 -0.29 0.00 0.00 176.35 177.73 3iuk s ASN 105 N 2.65 0.34 0.00 3.68 2.20 -1.26 -4.88 114.94 117.67 3iuk s ASN 105 Ca -0.04 -1.27 0.21 0.00 -0.94 0.00 0.00 52.86 50.82 3iuk s ASN 105 Cb -0.09 0.79 1.08 0.00 -2.00 0.00 0.00 41.25 41.03 3iuk s ASN 105 CO -0.18 -1.56 1.72 -0.46 -2.94 0.00 0.00 177.10 173.68 3iuk n ASN 106 N -1.42 0.61 0.00 3.54 6.94 -1.26 -4.57 115.26 119.09 3iuk n ASN 106 Ca -0.05 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 3iuk n ASN 106 Cb 0.60 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3iuk n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iuk n ILE 107 N -0.41 0.00 -3.05 1.53 3.06 -1.26 -5.01 119.36 114.22 3iuk n ILE 107 Ca 0.16 0.00 -0.19 0.00 -2.50 0.00 0.00 62.75 60.22 3iuk n ILE 107 Cb 0.17 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.32 3iuk n ILE 107 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3iuk n ALA 108 N -1.46 1.23 -2.27 1.51 0.00 -1.26 -4.92 120.51 113.34 3iuk n ALA 108 Ca 0.00 -2.78 -0.16 0.00 0.00 0.00 0.00 53.44 50.50 3iuk n ALA 108 Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 3iuk n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iuk s SER 109 N -1.41 0.93 0.50 0.00 1.04 -1.26 -4.87 113.70 108.63 3iuk s SER 109 Ca 0.34 -1.48 0.20 0.00 0.48 0.00 0.00 55.95 55.49 3iuk s SER 109 Cb 0.20 0.36 1.25 0.00 0.10 0.00 0.00 66.02 67.93 3iuk s SER 109 CO -0.15 -0.86 2.03 -0.65 0.98 0.00 0.00 173.24 174.60 3iuk h PRO 110 N 2.40 0.12 -0.67 4.02 0.11 -1.95 -1.41 132.00 134.63 3iuk h PRO 110 Ca -0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3iuk h PRO 110 Cb 1.25 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3iuk h PRO 110 CO 0.52 0.08 0.37 0.00 -0.21 0.00 0.00 178.00 178.76 3iuk h ALA 111 N 1.79 0.86 -0.09 -0.75 0.00 -1.94 -0.92 119.26 118.21 3iuk h ALA 111 Ca 0.20 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3iuk h ALA 111 Cb 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3iuk h ALA 111 CO -0.02 0.37 -0.38 1.96 0.00 0.00 0.00 179.25 181.17 3iuk h GLN 112 N 0.92 0.43 -0.88 0.00 7.50 -1.65 -3.30 115.11 118.12 3iuk h GLN 112 Ca 0.24 -0.33 0.01 0.00 0.50 0.00 0.00 58.65 59.06 3iuk h GLN 112 Cb 0.04 0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.59 3iuk h GLN 112 CO -0.04 0.96 0.58 -0.44 -1.50 0.00 0.00 178.83 178.39 3iuk h ASP 113 N -0.01 1.02 -0.54 1.46 3.32 -0.97 0.48 116.42 121.17 3iuk h ASP 113 Ca -0.02 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3iuk h ASP 113 Cb 1.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3iuk h ASP 113 CO 0.08 0.75 0.23 0.40 -1.72 0.00 0.00 179.24 178.98 3iuk h ILE 114 N 1.20 1.21 0.19 0.35 2.04 -1.28 -2.72 117.51 118.51 3iuk h ILE 114 Ca 0.32 -0.65 -0.26 0.00 1.00 0.00 0.00 64.86 65.28 3iuk h ILE 114 Cb -0.12 0.51 0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3iuk h ILE 114 CO -0.07 0.26 -1.14 -0.09 0.00 0.00 0.00 178.15 177.11 3iuk h ARG 115 N 0.83 0.40 -0.57 2.37 2.43 -1.56 -3.37 114.38 114.91 3iuk h ARG 115 Ca 0.20 -0.69 0.15 0.00 -0.81 0.00 0.00 59.98 58.82 3iuk h ARG 115 Cb 0.16 0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3iuk h ARG 115 CO -0.02 1.33 0.40 0.00 -1.51 0.00 0.00 179.97 180.17 3iuk h ALA 116 N 0.11 2.38 0.00 2.80 0.00 -0.60 -2.35 119.26 121.61 3iuk h ALA 116 Ca -0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3iuk h ALA 116 Cb 1.88 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 3iuk h ALA 116 CO 0.20 -0.54 -0.11 0.97 0.00 0.00 0.00 179.25 179.77 3iuk h ILE 117 N 0.11 0.95 0.00 0.00 6.09 -1.68 -0.93 117.51 122.05 3iuk h ILE 117 Ca 0.27 -0.39 -0.01 0.00 -1.37 0.00 0.00 64.86 63.36 3iuk h ILE 117 Cb 0.93 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 39.44 3iuk h ILE 117 CO -0.03 0.11 -0.04 -0.26 -3.07 0.00 0.00 178.15 174.86 3iuk h PHE 118 N 0.00 0.00 0.00 2.19 0.04 -1.67 -2.86 116.94 114.64 3iuk h PHE 118 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3iuk h PHE 118 Cb 0.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3iuk h PHE 118 CO 0.00 0.04 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.09 3iuk h ASP 119 N 0.00 0.00 -0.57 2.17 3.32 -1.35 -3.46 116.42 116.53 3iuk h ASP 119 Ca -0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 3iuk h ASP 119 Cb 0.07 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.54 3iuk h ASP 119 CO 0.00 0.22 2.63 0.18 -1.72 0.00 0.00 179.24 180.55 3iuk n LEU 120 N -4.09 6.31 -4.40 1.55 4.77 -1.08 -5.14 117.00 114.92 3iuk n LEU 120 Ca -0.02 -4.20 -0.20 0.00 -0.03 0.00 0.00 56.01 51.55 3iuk n LEU 120 Cb 0.29 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.63 3iuk n LEU 120 CO 0.35 0.93 -0.38 -2.16 -1.33 0.00 0.00 177.39 174.81 3iuk s PRO 122 N 2.81 1.47 -0.02 3.23 0.04 -1.26 -5.14 135.00 136.13 3iuk s PRO 122 Ca 0.47 -1.73 0.25 0.00 0.04 0.00 0.00 61.00 60.03 3iuk s PRO 122 Cb 0.10 -1.08 0.43 0.00 0.04 0.00 0.00 34.50 34.00 3iuk s PRO 122 CO -0.03 0.05 1.17 0.25 0.04 0.00 0.00 177.00 178.48 3iuk n THR 123 N -0.52 0.17 0.40 1.26 -2.24 -1.26 -4.63 114.28 107.46 3iuk n THR 123 Ca -0.06 -1.20 0.09 0.00 -2.27 0.00 0.00 64.05 60.61 3iuk n THR 123 Cb 0.63 0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 69.67 3iuk n THR 123 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iuk n ASP 124 N 0.37 0.69 -4.27 3.42 8.00 -1.26 -4.55 116.55 118.95 3iuk n ASP 124 Ca 0.07 -0.43 -0.15 0.00 0.71 0.00 0.00 54.79 54.99 3iuk n ASP 124 Cb 1.11 1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 43.60 3iuk n ASP 124 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3iuk s THR 125 N -3.10 1.10 0.22 -3.53 -4.23 -1.26 -4.71 115.64 100.13 3iuk s THR 125 Ca -0.01 -2.05 -0.08 0.00 -1.18 0.00 0.00 61.69 58.38 3iuk s THR 125 Cb 0.13 -2.02 0.18 0.00 1.34 0.00 0.00 72.50 72.13 3iuk s THR 125 CO 0.80 -0.60 1.71 0.58 -0.54 0.00 0.00 174.62 176.58 3iuk h VAL 126 N 2.68 0.65 -0.79 2.29 2.07 -1.99 -2.19 116.25 118.96 3iuk h VAL 126 Ca -0.37 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3iuk h VAL 126 Cb 1.20 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3iuk h VAL 126 CO 0.64 0.06 0.51 -0.08 0.02 0.00 0.00 177.57 178.71 3iuk h GLU 127 N 0.33 0.97 -0.68 1.57 4.81 -1.98 0.56 114.58 120.16 3iuk h GLU 127 Ca 0.35 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3iuk h GLU 127 Cb 0.52 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3iuk h GLU 127 CO -0.40 0.64 0.38 0.45 -0.73 0.00 0.00 179.01 179.35 3iuk h HIS 128 N 1.00 0.70 -0.01 0.92 3.86 -1.73 0.11 115.15 120.00 3iuk h HIS 128 Ca 0.31 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.42 3iuk h HIS 128 Cb -0.01 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3iuk h HIS 128 CO -0.03 0.34 -0.57 -1.49 0.86 0.00 0.00 177.93 177.05 3iuk h TRP 129 N 0.71 0.06 -0.66 2.45 4.06 -0.79 -1.68 115.95 120.10 3iuk h TRP 129 Ca 0.30 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.23 3iuk h TRP 129 Cb 0.18 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 3iuk h TRP 129 CO -0.07 0.60 0.42 0.93 -3.56 0.00 0.00 178.44 176.76 3iuk h GLU 130 N 0.03 0.88 -0.50 0.49 5.08 -0.22 -0.59 114.58 119.75 3iuk h GLU 130 Ca -0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3iuk h GLU 130 Cb 1.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3iuk h GLU 130 CO 0.08 0.60 0.19 0.45 -1.00 0.00 0.00 179.01 179.33 3iuk h HIS 131 N 0.89 0.77 -0.07 4.33 3.86 -0.48 0.28 115.15 124.74 3iuk h HIS 131 Ca 0.24 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3iuk h HIS 131 Cb -0.07 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3iuk h HIS 131 CO -0.02 0.65 0.01 0.82 0.86 0.00 0.00 177.93 180.25 3iuk h ILE 132 N 0.67 0.97 -0.73 2.45 2.04 -1.18 0.94 117.51 122.67 3iuk h ILE 132 Ca 0.17 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3iuk h ILE 132 Cb 0.21 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3iuk h ILE 132 CO -0.01 0.01 0.48 0.00 0.00 0.00 0.00 178.15 178.62 3iuk h ALA 133 N 1.05 0.94 -0.62 1.87 0.00 -0.94 0.43 119.26 122.00 3iuk h ALA 133 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3iuk h ALA 133 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3iuk h ALA 133 CO -0.04 0.31 0.25 0.78 0.00 0.00 0.00 179.25 180.55 3iuk h GLY 134 N 0.96 0.99 0.97 0.00 0.00 -0.27 -1.72 103.07 104.00 3iuk h GLY 134 Ca 0.28 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3iuk h GLY 134 CO -0.08 0.51 -0.12 -0.09 0.00 0.00 0.00 176.54 176.76 3iuk h ARG 135 N 0.86 0.74 -0.92 4.80 2.43 -0.46 -2.15 114.38 119.68 3iuk h ARG 135 Ca 0.21 -0.30 0.14 0.00 -0.81 0.00 0.00 59.98 59.22 3iuk h ARG 135 Cb 0.21 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 3iuk h ARG 135 CO -0.02 0.90 0.59 0.00 -1.51 0.00 0.00 179.97 179.94 3iuk h ALA 136 N 0.82 1.77 0.00 2.80 0.00 -0.75 -0.41 119.26 123.49 3iuk h ALA 136 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iuk h ALA 136 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iuk h ALA 136 CO 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3iuk h ALA 137 N 1.59 1.00 -0.00 0.00 0.00 -0.97 -2.03 119.26 118.85 3iuk h ALA 137 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3iuk h ALA 137 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3iuk h ALA 137 CO -0.23 0.00 -0.49 0.09 0.00 0.00 0.00 179.25 178.63 3iuk n ASN 138 N -2.79 0.57 -0.16 0.00 5.03 -0.25 -4.30 115.26 113.36 3iuk n ASN 138 Ca 0.03 -0.34 -0.02 0.00 0.87 0.00 0.00 54.58 55.12 3iuk n ASN 138 Cb 0.41 0.26 0.07 0.00 -1.02 0.00 0.00 39.78 39.50 3iuk n ASN 138 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3iuk h VAL 139 N 0.13 0.72 -0.84 2.41 2.07 -0.56 -2.44 116.25 117.74 3iuk h VAL 139 Ca 0.00 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3iuk h VAL 139 Cb 0.50 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3iuk h VAL 139 CO 0.00 0.04 0.50 -0.65 0.02 0.00 0.00 177.57 177.48 3iuk h PRO 140 N 0.24 0.82 -0.67 1.57 0.11 -1.76 0.64 132.00 132.95 3iuk h PRO 140 Ca 0.25 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 3iuk h PRO 140 Cb 0.34 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 3iuk h PRO 140 CO -0.33 0.54 0.26 0.78 -0.21 0.00 0.00 178.00 179.04 3iuk h GLY 141 N 0.85 1.06 0.78 -0.55 0.00 -1.76 0.77 103.07 104.21 3iuk h GLY 141 Ca 0.40 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3iuk h GLY 141 CO -0.23 0.53 -0.09 0.00 0.00 0.00 0.00 176.54 176.75 3iuk h ALA 142 N 1.32 0.25 -0.54 3.60 0.00 -0.80 -2.34 119.26 120.75 3iuk h ALA 142 Ca 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3iuk h ALA 142 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iuk h ALA 142 CO -0.02 0.08 0.21 0.82 0.00 0.00 0.00 179.25 180.34 3iuk h ILE 143 N 0.06 1.22 -0.41 0.00 1.08 -0.75 -1.69 117.51 117.03 3iuk h ILE 143 Ca 0.04 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 3iuk h ILE 143 Cb 0.58 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 3iuk h ILE 143 CO 0.03 0.27 0.22 -0.08 -0.69 0.00 0.00 178.15 177.90 3iuk h GLU 144 N 0.74 0.44 -0.66 2.37 4.57 -0.80 0.45 114.58 121.68 3iuk h GLU 144 Ca 0.18 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3iuk h GLU 144 Cb 0.21 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 3iuk h GLU 144 CO -0.01 0.29 0.25 0.78 -1.18 0.00 0.00 179.01 179.14 3iuk h GLY 145 N 0.45 1.05 1.02 1.92 0.00 -1.28 -0.25 103.07 105.98 3iuk h GLY 145 Ca 0.17 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3iuk h GLY 145 CO -0.10 0.52 -0.02 -1.82 0.00 0.00 0.00 176.54 175.12 3iuk h TYR 146 N 0.96 0.99 -0.58 5.60 3.20 -0.58 -2.30 116.97 124.25 3iuk h TYR 146 Ca 0.22 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3iuk h TYR 146 Cb 0.20 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 3iuk h TYR 146 CO 0.02 0.93 0.33 0.82 -1.64 0.00 0.00 178.16 178.61 3iuk h ILE 147 N 0.76 1.18 -1.01 1.81 2.04 -0.46 -1.04 117.51 120.80 3iuk h ILE 147 Ca 0.14 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.65 3iuk h ILE 147 Cb 0.55 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 3iuk h ILE 147 CO 0.03 0.20 0.64 0.00 0.00 0.00 0.00 178.15 179.02 3iuk h ALA 148 N 1.15 1.47 -0.28 1.87 0.00 -0.83 0.40 119.26 123.05 3iuk h ALA 148 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3iuk h ALA 148 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iuk h ALA 148 CO -0.03 0.32 -0.14 0.77 0.00 0.00 0.00 179.25 180.16 3iuk h SER 149 N 1.08 0.61 -0.81 0.00 0.02 -0.82 -0.35 113.55 113.27 3iuk h SER 149 Ca 0.47 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3iuk h SER 149 Cb 0.36 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3iuk h SER 149 CO -0.23 0.89 0.46 -0.07 -1.14 0.00 0.00 176.83 176.74 3iuk h LEU 150 N 0.33 0.99 -0.36 5.07 3.38 -0.56 0.35 115.31 124.51 3iuk h LEU 150 Ca 0.06 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3iuk h LEU 150 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iuk h LEU 150 CO 0.04 0.79 0.00 -0.09 0.09 0.00 0.00 178.44 179.28 3iuk h ARG 151 N 1.12 0.64 -0.88 1.13 2.43 -0.16 0.22 114.38 118.87 3iuk h ARG 151 Ca 0.29 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3iuk h ARG 151 Cb 0.01 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3iuk h ARG 151 CO -0.05 0.75 0.57 0.00 -1.51 0.00 0.00 179.97 179.73 3iuk h ALA 152 N 0.87 1.12 -0.33 2.80 0.00 -0.54 -0.63 119.26 122.55 3iuk h ALA 152 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3iuk h ALA 152 Cb 0.46 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iuk h ALA 152 CO 0.02 0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 3iuk h ALA 153 N 1.31 0.45 -0.73 0.00 0.00 -0.72 -2.35 119.26 117.22 3iuk h ALA 153 Ca 0.32 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3iuk h ALA 153 Cb -0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.48 3iuk h ALA 153 CO -0.07 0.21 0.35 -0.22 0.00 0.00 0.00 179.25 179.52 3iuk h LYS 154 N 0.39 0.57 0.00 0.00 3.64 -0.24 -0.14 116.57 120.78 3iuk h LYS 154 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3iuk h LYS 154 Cb 0.45 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3iuk h LYS 154 CO 0.02 0.37 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.06 3iuk h ASP 155 N 0.58 0.00 -0.54 4.20 3.32 -0.78 -1.10 116.42 122.10 3iuk h ASP 155 Ca 0.37 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 3iuk h ASP 155 Cb 0.43 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 3iuk h ASP 155 CO -0.30 0.07 0.12 -0.67 -1.72 0.00 0.00 179.24 176.74 3iuk n ASP 156 N -4.42 4.59 -3.32 6.45 2.03 -0.53 -4.94 116.55 116.41 3iuk n ASP 156 Ca -0.03 -2.88 -0.23 0.00 0.52 0.00 0.00 54.79 52.17 3iuk n ASP 156 Cb 0.15 -0.68 0.06 0.00 -0.72 0.00 0.00 41.12 39.93 3iuk n ASP 156 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3iuk n ARG 157 N 0.21 -6.38 -3.91 -0.67 1.74 -0.42 -4.98 116.66 102.25 3iuk n ARG 157 Ca 0.28 0.86 -0.31 0.00 -0.77 0.00 0.00 57.85 57.92 3iuk n ARG 157 Cb 1.12 -5.82 -0.15 0.00 -1.02 0.00 0.00 32.46 26.59 3iuk n ARG 157 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3iuk s LYS 158 N -6.02 1.24 -0.02 5.56 1.02 -0.18 -5.00 119.74 116.33 3iuk s LYS 158 Ca 0.45 -1.48 0.02 0.00 0.02 0.00 0.00 55.97 54.97 3iuk s LYS 158 Cb -0.20 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3iuk s LYS 158 CO 0.56 -0.91 -0.06 0.08 -0.92 0.00 0.00 175.35 174.09 3iuk s VAL 159 N 1.21 0.56 0.72 3.17 1.01 -1.26 -3.08 120.40 122.73 3iuk s VAL 159 Ca 0.08 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3iuk s VAL 159 Cb -0.18 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3iuk s VAL 159 CO -0.14 0.19 1.12 0.00 0.00 0.00 0.00 175.10 176.28 3iuk n ALA 160 N 3.45 0.24 -1.59 5.51 0.00 -1.26 -4.51 120.51 122.34 3iuk n ALA 160 Ca -0.19 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3iuk n ALA 160 Cb 0.54 -2.21 0.01 0.00 0.00 0.00 0.00 19.45 17.79 3iuk n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk n ALA 161 N -2.51 -0.10 -0.32 0.00 0.00 -1.26 -4.13 120.51 112.19 3iuk n ALA 161 Ca 0.14 0.24 0.08 0.00 0.00 0.00 0.00 53.44 53.89 3iuk n ALA 161 Cb 0.49 -2.03 0.24 0.00 0.00 0.00 0.00 19.45 18.15 3iuk n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk h ALA 162 N 1.47 1.41 -0.56 0.00 0.00 -1.11 -1.75 119.26 118.71 3iuk h ALA 162 Ca -0.43 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.63 3iuk h ALA 162 Cb 1.35 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 3iuk h ALA 162 CO 0.56 0.03 0.14 -0.09 0.00 0.00 0.00 179.25 179.89 3iuk h ARG 163 N 0.77 0.27 -0.43 0.00 2.43 -1.87 -0.86 114.38 114.70 3iuk h ARG 163 Ca 0.49 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.51 3iuk h ARG 163 Cb 0.63 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3iuk h ARG 163 CO -0.33 0.18 -0.26 1.96 -1.51 0.00 0.00 179.97 180.02 3iuk h GLN 164 N 0.28 0.93 -0.52 0.20 1.08 -1.69 -1.57 115.11 113.81 3iuk h GLN 164 Ca 0.29 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3iuk h GLN 164 Cb 0.40 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3iuk h GLN 164 CO -0.35 1.09 0.33 0.82 -0.95 0.00 0.00 178.83 179.76 3iuk h ILE 165 N 0.76 1.15 -0.87 2.54 2.04 -1.03 -1.76 117.51 120.34 3iuk h ILE 165 Ca 0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3iuk h ILE 165 Cb 0.84 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3iuk h ILE 165 CO 0.07 0.15 0.51 0.03 0.00 0.00 0.00 178.15 178.92 3iuk h ARG 166 N 0.70 1.19 -0.68 2.37 3.08 -1.03 0.11 114.38 120.13 3iuk h ARG 166 Ca 0.19 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3iuk h ARG 166 Cb -0.04 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 3iuk h ARG 166 CO -0.04 0.84 0.30 0.82 -1.07 0.00 0.00 179.97 180.82 3iuk h ILE 167 N 1.20 1.24 -0.06 2.04 1.08 -0.60 -1.58 117.51 120.83 3iuk h ILE 167 Ca 0.31 -0.70 -0.19 0.00 -0.39 0.00 0.00 64.86 63.89 3iuk h ILE 167 Cb -0.03 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3iuk h ILE 167 CO -0.06 0.28 -0.75 0.58 -0.69 0.00 0.00 178.15 177.52 3iuk h VAL 168 N 0.95 1.39 -0.35 1.67 2.07 -0.96 0.63 116.25 121.66 3iuk h VAL 168 Ca 0.23 -2.20 0.05 0.00 0.82 0.00 0.00 66.70 65.60 3iuk h VAL 168 Cb 0.16 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3iuk h VAL 168 CO -0.02 0.66 0.08 0.40 0.02 0.00 0.00 177.57 178.71 3iuk h ILE 169 N 0.25 0.84 -0.46 4.57 2.04 -0.63 -1.00 117.51 123.12 3iuk h ILE 169 Ca -0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3iuk h ILE 169 Cb 1.33 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3iuk h ILE 169 CO 0.13 0.04 0.28 -0.08 0.00 0.00 0.00 178.15 178.51 3iuk h GLU 170 N 0.21 0.63 -0.46 2.37 4.22 -0.38 -2.05 114.58 119.13 3iuk h GLU 170 Ca 0.17 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.45 3iuk h GLU 170 Cb 0.18 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3iuk h GLU 170 CO -0.21 0.46 -0.11 1.96 -2.18 0.00 0.00 179.01 178.94 3iuk h GLN 171 N 0.62 0.88 0.00 1.92 4.20 -0.73 -2.50 115.11 119.49 3iuk h GLN 171 Ca 0.17 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 3iuk h GLN 171 Cb -0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3iuk h GLN 171 CO -0.03 0.98 -0.72 1.79 -0.67 0.00 0.00 178.83 180.18 3iuk h THR 172 N 0.72 1.34 -0.86 -0.54 1.35 -1.17 -2.24 112.91 111.51 3iuk h THR 172 Ca 0.12 -2.62 0.01 0.00 -0.55 0.00 0.00 66.41 63.37 3iuk h THR 172 Cb 0.65 2.48 -0.04 0.00 -1.73 0.00 0.00 68.15 69.51 3iuk h THR 172 CO 0.04 0.71 0.57 1.23 -0.25 0.00 0.00 175.52 177.82 3iuk h GLY 173 N 2.76 1.22 0.94 5.82 0.00 -1.07 -1.79 103.07 110.96 3iuk h GLY 173 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3iuk h GLY 173 CO 0.09 0.43 -0.12 3.21 0.00 0.00 0.00 176.54 180.15 3iuk h ARG 174 N 1.15 0.68 -0.79 4.80 2.47 -0.99 -2.29 114.38 119.41 3iuk h ARG 174 Ca 0.32 -0.28 0.15 0.00 -1.26 0.00 0.00 59.98 58.91 3iuk h ARG 174 Cb -0.10 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.13 3iuk h ARG 174 CO -0.08 0.87 0.52 1.88 0.56 0.00 0.00 179.97 183.73 3iuk h TYR 175 N 0.46 0.57 -0.01 3.04 0.05 -0.86 -2.59 116.97 117.63 3iuk h TYR 175 Ca 0.08 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3iuk h TYR 175 Cb 0.64 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3iuk h TYR 175 CO 0.05 0.21 -0.41 0.00 -1.05 0.00 0.00 178.16 176.97 3iuk n ALA 176 N -2.50 3.41 -1.22 3.88 0.00 -0.74 -3.24 120.51 120.11 3iuk n ALA 176 Ca 0.15 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 3iuk n ALA 176 Cb 0.52 -0.90 0.13 0.00 0.00 0.00 0.00 19.45 19.20 3iuk n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk s ALA 177 N -2.48 1.68 0.47 0.00 0.00 -0.87 -4.87 121.76 115.69 3iuk s ALA 177 Ca 0.20 -0.02 0.17 0.00 0.00 0.00 0.00 51.96 52.32 3iuk s ALA 177 Cb 0.18 -3.20 1.16 0.00 0.00 0.00 0.00 23.12 21.26 3iuk s ALA 177 CO 0.56 -2.24 2.00 0.93 0.00 0.00 0.00 175.76 177.00 3iuk h GLU 178 N -1.47 0.24 -0.25 0.00 4.39 -1.91 -0.77 114.58 114.81 3iuk h GLU 178 Ca -0.48 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.01 3iuk h GLU 178 Cb 1.27 -0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 29.72 3iuk h GLU 178 CO 0.54 0.16 -0.61 -0.25 -1.16 0.00 0.00 179.01 177.69 3iuk n ASP 179 N -4.45 2.78 -3.67 1.42 8.00 -1.26 -4.71 116.55 114.66 3iuk n ASP 179 Ca 0.09 -3.83 -0.19 0.00 0.71 0.00 0.00 54.79 51.56 3iuk n ASP 179 Cb 0.41 -0.46 0.12 0.00 -0.02 0.00 0.00 41.12 41.17 3iuk n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iuk n GLY 180 N -0.97 -0.30 0.38 0.44 0.00 -0.29 -4.74 105.19 99.71 3iuk n GLY 180 Ca 0.27 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 3iuk n GLY 180 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iuk h PHE 181 N -1.03 -1.14 -0.40 1.61 3.57 -1.67 -0.51 116.94 117.37 3iuk h PHE 181 Ca -0.28 0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.14 3iuk h PHE 181 Cb 0.90 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 3iuk h PHE 181 CO 0.00 -0.43 -0.29 0.74 -2.23 0.00 0.00 178.31 176.10 3iuk h PHE 182 N -0.33 1.01 -0.20 0.41 -1.00 -1.88 -3.09 116.94 111.86 3iuk h PHE 182 Ca 0.14 -0.27 0.03 0.00 2.81 0.00 0.00 57.97 60.68 3iuk h PHE 182 Cb 0.58 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.88 3iuk h PHE 182 CO -0.57 1.05 0.03 0.00 -1.61 0.00 0.00 178.31 177.21 3iuk h ALA 183 N 0.92 0.20 0.00 2.45 0.00 -1.70 -2.88 119.26 118.26 3iuk h ALA 183 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iuk h ALA 183 Cb 0.85 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iuk h ALA 183 CO 0.07 -0.40 0.00 1.63 0.00 0.00 0.00 179.25 180.56 3iuk n LYS 184 N -5.10 0.52 0.00 0.00 5.02 -0.23 -1.48 118.16 116.90 3iuk n LYS 184 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3iuk n LYS 184 Cb 0.10 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3iuk n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iuk n ALA 186 N 1.72 0.00 -0.21 7.82 0.00 -1.09 -0.16 120.51 128.59 3iuk n ALA 186 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3iuk n ALA 186 Cb 0.26 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.92 3iuk n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuk h ALA 187 N 0.00 1.36 -0.08 0.00 0.00 -1.53 -3.14 119.26 115.88 3iuk h ALA 187 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iuk h ALA 187 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3iuk h ALA 187 CO 0.00 0.53 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 3iuk n ASP 188 N -4.37 2.74 -4.57 0.00 10.43 0.78 -4.99 116.55 116.56 3iuk n ASP 188 Ca 0.07 -1.84 -0.46 0.00 2.57 0.00 0.00 54.79 55.13 3iuk n ASP 188 Cb 0.09 -0.04 -0.02 0.00 1.84 0.00 0.00 41.12 42.99 3iuk n ASP 188 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3iuk n ALA 189 N 1.14 -0.53 -3.22 2.24 0.00 -1.19 -4.99 120.51 113.96 3iuk n ALA 189 Ca 0.12 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.84 3iuk n ALA 189 Cb 0.50 -1.99 -0.08 0.00 0.00 0.00 0.00 19.45 17.88 3iuk n ALA 189 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iuk s SER 190 N -0.45 -0.23 -0.13 0.00 1.04 -1.26 -4.20 113.70 108.48 3iuk s SER 190 Ca 0.62 0.09 0.01 0.00 0.48 0.00 0.00 55.95 57.16 3iuk s SER 190 Cb -0.75 0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.73 3iuk s SER 190 CO 0.58 -0.50 -0.16 -0.22 0.98 0.00 0.00 173.24 173.92 3iuk s LEU 191 N -1.46 1.79 0.00 2.42 2.96 -0.39 -4.85 118.68 119.15 3iuk s LEU 191 Ca -0.12 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 3iuk s LEU 191 Cb -0.04 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.45 3iuk s LEU 191 CO 0.03 -0.00 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 3iuk n GLY 192 N 4.42 1.90 2.65 7.98 0.00 -1.26 -1.70 105.19 119.18 3iuk n GLY 192 Ca -0.19 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3iuk n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iuk n ASP 193 N 7.74 -0.67 -4.17 1.61 8.00 -1.26 -5.11 116.55 122.69 3iuk n ASP 193 Ca 0.00 -2.72 -0.14 0.00 0.71 0.00 0.00 54.79 52.63 3iuk n ASP 193 Cb 0.00 0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 3iuk n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iuk s ALA 194 N -1.06 1.08 0.85 2.24 0.00 -0.69 -5.10 121.76 119.08 3iuk s ALA 194 Ca 0.25 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3iuk s ALA 194 Cb 0.40 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.63 3iuk s ALA 194 CO -0.04 -0.04 1.03 -2.30 0.00 0.00 0.00 175.76 174.41 3iuk n PRO 195 N 0.61 -0.02 -1.08 0.00 -0.02 -1.26 -1.27 135.00 131.96 3iuk n PRO 195 Ca -0.16 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.08 3iuk n PRO 195 Cb 0.58 -2.30 0.12 0.00 -0.02 0.00 0.00 33.50 31.88 3iuk n PRO 195 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iuk s LEU 196 N -4.82 2.86 0.65 2.45 1.43 -1.26 -4.55 118.68 115.44 3iuk s LEU 196 Ca 0.69 1.89 -0.17 0.00 -1.03 0.00 0.00 54.13 55.51 3iuk s LEU 196 Cb -0.27 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 41.47 3iuk s LEU 196 CO 0.55 -2.44 0.89 -2.65 0.23 0.00 0.00 176.35 172.93 3iuk n PRO 197 N -3.79 0.68 -0.28 1.29 -0.02 -1.26 -4.76 135.00 126.86 3iuk n PRO 197 Ca 0.10 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3iuk n PRO 197 Cb 0.53 -2.12 0.13 0.00 -0.02 0.00 0.00 33.50 32.02 3iuk n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iuk h ALA 198 N 0.13 1.09 -0.25 3.55 0.00 -1.99 -1.33 119.26 120.46 3iuk h ALA 198 Ca -0.48 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3iuk h ALA 198 Cb 1.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3iuk h ALA 198 CO 0.48 0.17 -0.11 1.49 0.00 0.00 0.00 179.25 181.28 3iuk h GLU 199 N 0.85 0.52 -0.01 0.00 4.81 -2.00 -0.74 114.58 118.02 3iuk h GLU 199 Ca 0.35 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 3iuk h GLU 199 Cb 0.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3iuk h GLU 199 CO -0.19 0.78 -0.76 -0.24 -0.73 0.00 0.00 179.01 177.87 3iuk h VAL 200 N 0.25 1.51 -0.53 0.32 3.04 -1.92 -2.53 116.25 116.40 3iuk h VAL 200 Ca 0.06 -2.51 0.02 0.00 -1.01 0.00 0.00 66.70 63.26 3iuk h VAL 200 Cb 0.62 2.36 -0.03 0.00 -2.01 0.00 0.00 31.29 32.22 3iuk h VAL 200 CO 0.04 0.72 0.32 -0.61 -1.01 0.00 0.00 177.57 177.03 3iuk h GLN 201 N 0.03 0.63 -0.88 4.17 5.75 -0.87 -0.78 115.11 123.15 3iuk h GLN 201 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3iuk h GLN 201 Cb 1.33 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 3iuk h GLN 201 CO 0.10 0.41 0.57 -0.44 -2.65 0.00 0.00 178.83 176.82 3iuk h ASP 202 N 0.64 1.03 -0.56 -0.69 3.32 -0.87 0.39 116.42 119.68 3iuk h ASP 202 Ca 0.21 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3iuk h ASP 202 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3iuk h ASP 202 CO -0.09 0.76 0.07 0.11 -1.72 0.00 0.00 179.24 178.38 3iuk h LYS 203 N 1.20 0.98 -0.51 3.56 1.57 -0.98 -1.30 116.57 121.09 3iuk h LYS 203 Ca 0.32 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3iuk h LYS 203 Cb -0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3iuk h LYS 203 CO -0.07 0.92 -0.15 1.25 -0.57 0.00 0.00 179.45 180.83 3iuk h LEU 204 N 0.92 1.02 -0.45 2.94 5.85 -0.33 -0.82 115.31 124.42 3iuk h LEU 204 Ca 0.18 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3iuk h LEU 204 Cb 0.43 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3iuk h LEU 204 CO 0.01 1.16 0.30 0.44 -0.34 0.00 0.00 178.44 180.01 3iuk h ASP 205 N 0.87 0.52 -0.44 1.25 3.32 -0.77 -0.32 116.42 120.85 3iuk h ASP 205 Ca 0.12 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3iuk h ASP 205 Cb 0.73 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3iuk h ASP 205 CO 0.06 0.39 0.07 0.00 -1.72 0.00 0.00 179.24 178.03 3iuk h ALA 206 N 1.16 0.59 -0.02 3.45 0.00 -0.99 -1.69 119.26 121.75 3iuk h ALA 206 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iuk h ALA 206 Cb -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3iuk h ALA 206 CO -0.04 0.31 -0.01 0.78 0.00 0.00 0.00 179.25 180.30 3iuk h GLY 207 N 0.59 0.04 1.35 0.00 0.00 -1.01 -1.63 103.07 102.42 3iuk h GLY 207 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3iuk h GLY 207 CO 0.01 0.03 0.41 -0.91 0.00 0.00 0.00 176.54 176.08 3iuk h THR 208 N -0.33 1.18 -0.47 4.70 1.35 -1.08 0.17 112.91 118.42 3iuk h THR 208 Ca 0.00 -0.36 -0.08 0.00 -0.55 0.00 0.00 66.41 65.42 3iuk h THR 208 Cb 0.40 0.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 3iuk h THR 208 CO 0.00 0.18 -0.03 0.28 -0.25 0.00 0.00 175.52 175.70 3iuk h SER 209 N 0.89 0.83 -0.86 5.36 0.02 -1.19 0.10 113.55 118.71 3iuk h SER 209 Ca 0.24 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3iuk h SER 209 Cb -0.06 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.21 3iuk h SER 209 CO -0.05 0.96 0.56 0.00 -1.14 0.00 0.00 176.83 177.16 3iuk h ALA 210 N 0.91 1.10 -0.40 3.77 0.00 -0.92 -1.56 119.26 122.15 3iuk h ALA 210 Ca 0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3iuk h ALA 210 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iuk h ALA 210 CO 0.03 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.54 3iuk h ALA 211 N 1.33 0.91 -0.39 0.00 0.00 0.10 -1.11 119.26 120.09 3iuk h ALA 211 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iuk h ALA 211 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3iuk h ALA 211 CO -0.08 0.62 0.19 0.00 0.00 0.00 0.00 179.25 179.98 3iuk h ARG 212 N 0.68 0.56 -0.43 0.00 3.08 -0.62 -1.71 114.38 115.95 3iuk h ARG 212 Ca 0.10 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3iuk h ARG 212 Cb 0.70 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3iuk h ARG 212 CO 0.05 0.49 0.07 0.77 -1.07 0.00 0.00 179.97 180.28 3iuk h SER 213 N 0.49 0.61 -0.30 7.04 0.02 -1.03 -1.28 113.55 119.10 3iuk h SER 213 Ca 0.13 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3iuk h SER 213 Cb 0.12 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3iuk h SER 213 CO -0.02 0.64 -0.14 0.00 -1.14 0.00 0.00 176.83 176.18 3iuk h ALA 214 N 1.44 0.42 -0.25 3.77 0.00 -0.89 0.11 119.26 123.87 3iuk h ALA 214 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3iuk h ALA 214 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iuk h ALA 214 CO 0.00 0.31 -0.31 1.88 0.00 0.00 0.00 179.25 181.13 3iuk h TYR 215 N 0.38 0.58 -0.83 0.00 -1.99 -1.07 0.33 116.97 114.36 3iuk h TYR 215 Ca 0.07 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.66 3iuk h TYR 215 Cb 0.65 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.21 3iuk h TYR 215 CO 0.06 0.76 0.54 0.77 -0.00 0.00 0.00 178.16 180.28 3iuk h SER 216 N 0.44 0.96 -0.39 3.88 0.02 -0.91 -1.20 113.55 116.36 3iuk h SER 216 Ca 0.05 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3iuk h SER 216 Cb 0.76 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3iuk h SER 216 CO 0.06 0.71 -0.22 0.00 -1.14 0.00 0.00 176.83 176.24 3iuk h ALA 217 N 1.46 0.79 0.04 3.77 0.00 -0.35 -1.22 119.26 123.75 3iuk h ALA 217 Ca 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iuk h ALA 217 Cb -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3iuk h ALA 217 CO -0.06 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 181.07 3iuk h LEU 218 N 0.77 -0.05 -1.08 0.00 5.85 -0.61 -0.87 115.31 119.32 3iuk h LEU 218 Ca 0.10 -0.17 0.20 0.00 0.84 0.00 0.00 57.88 58.85 3iuk h LEU 218 Cb 0.76 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.70 3iuk h LEU 218 CO 0.06 0.14 0.61 1.23 -0.34 0.00 0.00 178.44 180.15 3iuk h GLY 219 N -0.23 1.66 0.89 3.75 0.00 -0.99 -0.68 103.07 107.47 3iuk h GLY 219 Ca -0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3iuk h GLY 219 CO 0.01 -0.07 -0.18 0.00 0.00 0.00 0.00 176.54 176.30 3iuk h ALA 220 N 1.64 0.37 -0.09 3.60 0.00 -0.67 -0.93 119.26 123.19 3iuk h ALA 220 Ca 0.57 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3iuk h ALA 220 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3iuk h ALA 220 CO -0.36 0.30 0.03 0.35 0.00 0.00 0.00 179.25 179.57 3iuk h PHE 221 N 0.30 0.06 -0.38 0.00 3.57 -0.63 0.12 116.94 119.98 3iuk h PHE 221 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3iuk h PHE 221 Cb 0.72 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3iuk h PHE 221 CO 0.07 0.03 0.21 -0.07 -2.23 0.00 0.00 178.31 176.32 3iuk h LEU 222 N 0.08 0.48 -0.12 0.59 3.38 -1.09 0.11 115.31 118.74 3iuk h LEU 222 Ca 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3iuk h LEU 222 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3iuk h LEU 222 CO -0.04 0.43 0.01 -0.09 0.09 0.00 0.00 178.44 178.84 3iuk h ARG 223 N 0.49 0.21 0.03 1.13 2.43 -0.94 0.10 114.38 117.84 3iuk h ARG 223 Ca 0.13 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.95 3iuk h ARG 223 Cb 0.06 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3iuk h ARG 223 CO -0.02 0.43 -1.66 -0.44 -1.51 0.00 0.00 179.97 176.77 3iuk h ASP 224 N -0.04 0.11 0.00 -3.80 3.32 -0.69 -3.39 116.42 111.93 3iuk h ASP 224 Ca 0.04 -0.21 -0.20 0.00 0.02 0.00 0.00 57.03 56.67 3iuk h ASP 224 Cb 0.33 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3iuk h ASP 224 CO 0.00 1.19 -1.73 -0.62 -1.72 0.00 0.00 179.24 176.36 3iuk n GLU 225 N -3.19 0.30 -0.09 3.56 1.02 0.30 -4.75 120.64 117.79 3iuk n GLU 225 Ca -0.17 0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 56.91 3iuk n GLU 225 Cb 1.04 -1.13 -0.09 0.00 -0.02 0.00 0.00 31.44 31.24 3iuk n GLU 225 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iuk h LEU 226 N -0.20 0.00 -0.80 -4.62 5.85 -1.27 -3.39 115.31 110.88 3iuk h LEU 226 Ca -0.30 -0.46 0.15 0.00 0.84 0.00 0.00 57.88 58.11 3iuk h LEU 226 Cb 1.37 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.31 3iuk h LEU 226 CO -0.11 1.19 0.35 0.25 -0.34 0.00 0.00 178.44 179.78 3iuk h LEU 227 N -1.00 0.35 -2.14 2.25 5.85 -0.98 -1.79 115.31 117.85 3iuk h LEU 227 Ca -0.20 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3iuk h LEU 227 Cb 1.01 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3iuk h LEU 227 CO -0.12 0.12 0.27 -0.65 -0.34 0.00 0.00 178.44 177.72 3iuk h PRO 228 N 0.48 0.00 -0.27 5.25 0.11 -1.75 -1.77 132.00 134.04 3iuk h PRO 228 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3iuk h PRO 228 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3iuk h PRO 228 CO -0.41 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.71 3iuk n VAL 229 N -3.86 0.83 -2.66 3.15 0.24 -0.70 -5.02 118.33 110.31 3iuk n VAL 229 Ca 0.04 -0.92 -0.36 0.00 -2.04 0.00 0.00 64.34 61.06 3iuk n VAL 229 Cb 0.41 0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 3iuk n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iuk s ALA 230 N -0.98 3.14 0.38 2.33 0.00 -0.67 -4.92 121.76 121.04 3iuk s ALA 230 Ca 0.20 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.51 3iuk s ALA 230 Cb 0.11 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3iuk s ALA 230 CO 0.15 -0.03 1.14 -1.25 0.00 0.00 0.00 175.76 175.76 3iuk s PRO 231 N -2.38 4.18 0.21 0.00 0.04 -1.26 -4.67 135.00 131.13 3iuk s PRO 231 Ca 0.55 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 63.29 3iuk s PRO 231 Cb -0.20 -2.74 0.15 0.00 0.04 0.00 0.00 34.50 31.76 3iuk s PRO 231 CO 0.25 -0.19 1.73 1.49 0.04 0.00 0.00 177.00 180.31 3iuk h GLU 232 N 2.82 1.11 -6.59 4.56 4.81 -1.95 0.73 114.58 120.07 3iuk h GLU 232 Ca -0.48 -0.26 -0.53 0.00 -0.13 0.00 0.00 59.36 57.96 3iuk h GLU 232 Cb 1.23 -0.15 0.03 0.00 0.63 0.00 0.00 28.75 30.49 3iuk h GLU 232 CO 0.63 0.98 0.79 0.21 -0.73 0.00 0.00 179.01 180.89 3iuk s LYS 233 N -5.29 4.27 0.03 1.92 2.20 -1.26 -4.70 119.74 116.92 3iuk s LYS 233 Ca -0.12 2.21 0.02 0.00 -0.36 0.00 0.00 55.97 57.72 3iuk s LYS 233 Cb 0.15 -3.20 -0.25 0.00 -1.51 0.00 0.00 37.83 33.02 3iuk s LYS 233 CO 0.84 -0.50 0.97 -0.44 -0.36 0.00 0.00 175.35 175.86 3iuk h ASP 234 N 6.63 0.23 -2.80 1.43 3.32 -1.96 -3.44 116.42 119.82 3iuk h ASP 234 Ca -0.43 -0.30 -0.52 0.00 0.02 0.00 0.00 57.03 55.80 3iuk h ASP 234 Cb 1.21 -0.07 0.06 0.00 0.22 0.00 0.00 39.33 40.74 3iuk h ASP 234 CO 0.88 1.25 0.97 0.00 -1.72 0.00 0.00 179.24 180.62 3iuk s ALA 235 N -2.64 3.88 -0.73 3.45 0.00 -1.26 -4.90 121.76 119.57 3iuk s ALA 235 Ca -0.05 1.55 0.25 0.00 0.00 0.00 0.00 51.96 53.70 3iuk s ALA 235 Cb 0.08 -3.68 0.42 0.00 0.00 0.00 0.00 23.12 19.94 3iuk s ALA 235 CO 0.84 -0.91 1.37 1.33 0.00 0.00 0.00 175.76 178.39 3iuk n VAL 236 N 3.68 0.28 -0.35 0.00 0.24 -1.25 -5.02 118.33 115.91 3iuk n VAL 236 Ca 0.14 -0.21 0.04 0.00 -2.04 0.00 0.00 64.34 62.28 3iuk n VAL 236 Cb 0.36 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 3iuk n VAL 236 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iuk n GLY 237 N 1.37 -2.15 0.22 7.63 0.00 -0.70 -4.40 105.19 107.15 3iuk n GLY 237 Ca 0.04 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 3iuk n GLY 237 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iuk h ARG 238 N -0.33 0.69 -0.06 1.61 2.43 -1.93 -0.49 114.38 116.30 3iuk h ARG 238 Ca -0.02 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3iuk h ARG 238 Cb 0.33 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3iuk h ARG 238 CO 0.01 0.66 0.02 1.49 -1.51 0.00 0.00 179.97 180.65 3iuk h GLU 239 N 0.58 0.08 -0.59 0.20 4.81 -1.98 0.83 114.58 118.52 3iuk h GLU 239 Ca 0.14 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3iuk h GLU 239 Cb 0.26 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3iuk h GLU 239 CO -0.00 0.23 -0.01 0.00 -0.73 0.00 0.00 179.01 178.49 3iuk h ARG 240 N -0.08 1.03 -0.63 1.92 3.08 -1.75 -3.08 114.38 114.86 3iuk h ARG 240 Ca 0.02 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.67 3iuk h ARG 240 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3iuk h ARG 240 CO -0.00 1.01 0.09 -0.92 -1.07 0.00 0.00 179.97 179.08 3iuk h TYR 241 N 0.94 1.12 -0.46 3.04 3.20 -0.62 -1.99 116.97 122.19 3iuk h TYR 241 Ca 0.17 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3iuk h TYR 241 Cb 0.56 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3iuk h TYR 241 CO 0.04 0.95 -0.02 1.03 -1.64 0.00 0.00 178.16 178.52 3iuk h SER 242 N 0.96 0.75 -0.25 -2.11 0.87 -0.76 0.12 113.55 113.13 3iuk h SER 242 Ca 0.19 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3iuk h SER 242 Cb 0.44 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3iuk h SER 242 CO 0.01 0.83 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.79 3iuk h LEU 243 N 0.72 0.67 -0.29 2.23 3.38 -1.47 -1.48 115.31 119.07 3iuk h LEU 243 Ca 0.14 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3iuk h LEU 243 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iuk h LEU 243 CO 0.02 1.03 0.16 0.00 0.09 0.00 0.00 178.44 179.74 3iuk h ALA 244 N 0.67 0.37 -0.29 1.53 0.00 -1.01 -0.89 119.26 119.64 3iuk h ALA 244 Ca 0.04 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iuk h ALA 244 Cb 0.85 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3iuk h ALA 244 CO 0.07 -0.10 -0.04 1.03 0.00 0.00 0.00 179.25 180.21 3iuk h SER 245 N 0.36 -0.20 -0.98 0.00 0.87 -0.76 0.50 113.55 113.34 3iuk h SER 245 Ca 0.10 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.87 3iuk h SER 245 Cb 0.05 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 3iuk h SER 245 CO -0.02 -0.06 0.62 0.03 -0.53 0.00 0.00 176.83 176.87 3iuk h ARG 246 N 0.04 0.90 -0.93 2.24 3.08 -0.89 -1.02 114.38 117.79 3iuk h ARG 246 Ca 0.14 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.21 3iuk h ARG 246 Cb 0.20 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3iuk h ARG 246 CO -0.27 0.59 0.59 0.77 -1.07 0.00 0.00 179.97 180.58 3iuk h SER 247 N 0.93 0.92 1.03 7.04 0.02 0.53 0.14 113.55 124.15 3iuk h SER 247 Ca 0.49 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.43 3iuk h SER 247 Cb 0.55 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3iuk h SER 247 CO -0.25 0.57 -0.99 -0.26 -1.14 0.00 0.00 176.83 174.76 3iuk h PHE 248 N 1.05 0.00 0.00 3.45 0.04 -1.07 -3.40 116.94 117.00 3iuk h PHE 248 Ca 0.41 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.08 3iuk h PHE 248 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3iuk h PHE 248 CO -0.02 0.10 -1.39 -0.89 -0.60 0.00 0.00 178.31 175.51 3iuk n ILE 249 N -2.75 0.39 -2.19 -0.55 5.41 -0.44 -0.02 119.36 119.22 3iuk n ILE 249 Ca -0.01 -0.23 -0.15 0.00 1.00 0.00 0.00 62.75 63.36 3iuk n ILE 249 Cb 0.60 -0.83 -0.01 0.00 -0.71 0.00 0.00 39.64 38.68 3iuk n ILE 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iuk n GLY 250 N 2.74 -0.04 3.10 7.39 0.00 0.47 -1.63 105.19 117.22 3iuk n GLY 250 Ca -0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3iuk n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuk s ALA 251 N -2.74 -0.22 -0.80 4.61 0.00 -1.26 -1.36 121.76 120.00 3iuk s ALA 251 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 3iuk s ALA 251 Cb 0.00 0.16 0.21 0.00 0.00 0.00 0.00 23.12 23.49 3iuk s ALA 251 CO 0.00 -0.24 0.71 -2.00 0.00 0.00 0.00 175.76 174.23 3iuk s GLU 252 N -1.79 3.39 0.65 0.00 2.12 -1.26 -4.20 118.70 117.61 3iuk s GLU 252 Ca -0.12 -2.53 -0.11 0.00 0.36 0.00 0.00 54.97 52.57 3iuk s GLU 252 Cb -0.06 -4.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.05 3iuk s GLU 252 CO -0.01 -1.26 1.04 0.14 -0.54 0.00 0.00 175.26 174.64 3iuk s VAL 253 N 0.02 4.41 -0.42 3.70 -7.23 -1.26 -4.99 120.40 114.63 3iuk s VAL 253 Ca 0.18 0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 60.85 3iuk s VAL 253 Cb -0.12 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.14 3iuk s VAL 253 CO -0.08 -1.02 1.14 -0.62 -0.31 0.00 0.00 175.10 174.21 3iuk s ASP 254 N -4.08 6.72 0.13 4.85 -1.08 -1.26 -4.91 116.67 117.05 3iuk s ASP 254 Ca 0.56 0.71 -0.13 0.00 -0.52 0.00 0.00 52.55 53.17 3iuk s ASP 254 Cb -0.12 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.77 3iuk s ASP 254 CO 0.54 -1.13 1.53 -0.07 0.52 0.00 0.00 175.17 176.56 3iuk h LEU 255 N 10.88 0.82 -0.32 -1.34 3.38 -1.98 -0.25 115.31 126.49 3iuk h LEU 255 Ca -0.22 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.28 3iuk h LEU 255 Cb 1.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3iuk h LEU 255 CO 1.09 1.01 -0.17 -0.33 0.09 0.00 0.00 178.44 180.12 3iuk h GLU 256 N 0.62 0.69 -0.64 1.13 3.07 -1.99 0.68 114.58 118.15 3iuk h GLU 256 Ca 0.10 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.63 3iuk h GLU 256 Cb 0.66 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 3iuk h GLU 256 CO 0.05 0.91 0.30 1.49 -1.40 0.00 0.00 179.01 180.36 3iuk h GLU 257 N 0.46 0.90 -0.37 2.33 4.22 -1.95 -0.87 114.58 119.30 3iuk h GLU 257 Ca 0.07 -0.12 -0.16 0.00 0.08 0.00 0.00 59.36 59.23 3iuk h GLU 257 Cb 0.71 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3iuk h GLU 257 CO 0.05 0.70 -0.40 1.15 -2.18 0.00 0.00 179.01 178.33 3iuk h THR 258 N 0.90 1.27 0.14 0.32 2.02 -0.80 -0.08 112.91 116.68 3iuk h THR 258 Ca 0.22 -1.57 0.01 0.00 0.77 0.00 0.00 66.41 65.84 3iuk h THR 258 Cb 0.10 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3iuk h THR 258 CO -0.03 0.52 -0.21 0.22 0.37 0.00 0.00 175.52 176.40 3iuk h TYR 259 N 0.73 -0.55 -0.86 3.16 3.20 -0.70 0.31 116.97 122.26 3iuk h TYR 259 Ca 0.05 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3iuk h TYR 259 Cb 1.00 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 3iuk h TYR 259 CO 0.07 -0.30 0.53 0.00 -1.64 0.00 0.00 178.16 176.81 3iuk h ALA 260 N 0.36 1.21 -0.55 1.82 0.00 -0.95 -1.55 119.26 119.60 3iuk h ALA 260 Ca 0.02 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iuk h ALA 260 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3iuk h ALA 260 CO -0.10 0.23 0.32 2.35 0.00 0.00 0.00 179.25 182.05 3iuk h TRP 261 N 0.93 0.59 -0.27 0.00 7.01 -0.78 -2.53 115.95 120.90 3iuk h TRP 261 Ca 0.39 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.30 3iuk h TRP 261 Cb 0.25 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 3iuk h TRP 261 CO -0.04 0.32 -0.29 0.78 -2.79 0.00 0.00 178.44 176.42 3iuk h GLY 262 N 0.62 0.59 0.96 2.65 0.00 -0.22 -0.06 103.07 107.61 3iuk h GLY 262 Ca 0.23 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3iuk h GLY 262 CO -0.12 0.47 0.19 -2.08 0.00 0.00 0.00 176.54 175.00 3iuk h VAL 263 N 0.47 1.13 -0.28 4.60 2.07 -1.22 -0.73 116.25 122.29 3iuk h VAL 263 Ca 0.06 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 3iuk h VAL 263 Cb 0.75 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3iuk h VAL 263 CO 0.06 0.14 -0.36 -0.61 0.02 0.00 0.00 177.57 176.81 3iuk h GLN 264 N 0.42 0.63 -0.43 1.57 5.75 -1.03 -2.00 115.11 120.02 3iuk h GLN 264 Ca 0.12 -0.31 -0.12 0.00 -0.15 0.00 0.00 58.65 58.19 3iuk h GLN 264 Cb 0.05 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3iuk h GLN 264 CO -0.02 0.90 -0.21 1.49 -2.65 0.00 0.00 178.83 178.33 3iuk h GLU 265 N 0.53 0.91 -0.30 1.69 4.57 -0.86 0.18 114.58 121.30 3iuk h GLU 265 Ca 0.05 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3iuk h GLU 265 Cb 0.87 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3iuk h GLU 265 CO 0.07 1.06 0.18 1.25 -1.18 0.00 0.00 179.01 180.39 3iuk h LEU 266 N 0.74 0.37 -0.77 1.64 5.85 -1.06 -0.48 115.31 121.60 3iuk h LEU 266 Ca 0.10 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3iuk h LEU 266 Cb 0.79 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3iuk h LEU 266 CO 0.06 0.32 0.50 -0.08 -0.34 0.00 0.00 178.44 178.91 3iuk h GLU 267 N 0.39 0.98 -0.30 1.25 4.57 -1.12 -1.22 114.58 119.12 3iuk h GLU 267 Ca 0.11 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3iuk h GLU 267 Cb 0.02 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 3iuk h GLU 267 CO -0.02 0.65 0.14 -0.09 -1.18 0.00 0.00 179.01 178.51 3iuk h ARG 268 N 1.01 0.28 -0.61 1.92 2.43 -0.69 -1.71 114.38 117.01 3iuk h ARG 268 Ca 0.29 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 3iuk h ARG 268 Cb -0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3iuk h ARG 268 CO -0.08 0.19 0.07 -0.07 -1.51 0.00 0.00 179.97 178.57 3iuk h LEU 269 N 0.29 0.98 -0.84 3.80 3.38 -0.57 -0.96 115.31 121.39 3iuk h LEU 269 Ca 0.13 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3iuk h LEU 269 Cb 0.06 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3iuk h LEU 269 CO -0.10 0.99 0.54 0.40 0.09 0.00 0.00 178.44 180.36 3iuk h ILE 270 N 0.95 1.12 -0.54 1.22 2.04 -1.09 -0.89 117.51 120.32 3iuk h ILE 270 Ca 0.19 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3iuk h ILE 270 Cb 0.45 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3iuk h ILE 270 CO 0.02 0.19 0.29 0.28 0.00 0.00 0.00 178.15 178.93 3iuk h SER 271 N 1.04 0.68 -0.73 1.72 0.02 -0.52 -1.39 113.55 114.36 3iuk h SER 271 Ca 0.34 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3iuk h SER 271 Cb 0.03 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3iuk h SER 271 CO -0.12 0.59 0.28 -0.33 -1.14 0.00 0.00 176.83 176.11 3iuk h GLU 272 N 0.73 1.10 -0.77 3.45 4.39 -0.91 -2.11 114.58 120.47 3iuk h GLU 272 Ca 0.19 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3iuk h GLU 272 Cb 0.06 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 3iuk h GLU 272 CO -0.03 0.91 0.41 1.96 -1.16 0.00 0.00 179.01 181.10 3iuk h GLN 273 N 1.06 1.08 -0.58 2.33 4.20 -0.62 -1.32 115.11 121.27 3iuk h GLN 273 Ca 0.24 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3iuk h GLN 273 Cb 0.23 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3iuk h GLN 273 CO -0.02 0.80 0.13 0.93 -0.67 0.00 0.00 178.83 180.01 3iuk h GLU 274 N 1.08 0.90 -0.43 1.46 5.08 -0.96 0.37 114.58 122.08 3iuk h GLU 274 Ca 0.27 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3iuk h GLU 274 Cb 0.05 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3iuk h GLU 274 CO -0.04 0.82 0.03 0.87 -1.00 0.00 0.00 179.01 179.69 3iuk h LYS 275 N 0.87 0.74 -0.28 2.33 1.57 -0.90 -3.00 116.57 117.90 3iuk h LYS 275 Ca 0.19 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3iuk h LYS 275 Cb 0.33 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3iuk h LYS 275 CO 0.00 0.79 -0.27 0.28 -0.57 0.00 0.00 179.45 179.68 3iuk h VAL 276 N 0.59 1.27 -0.95 0.50 2.07 -0.89 -1.97 116.25 116.87 3iuk h VAL 276 Ca 0.13 -1.35 0.14 0.00 0.82 0.00 0.00 66.70 66.44 3iuk h VAL 276 Cb 0.44 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 3iuk h VAL 276 CO 0.02 0.43 0.57 0.00 0.02 0.00 0.00 177.57 178.61 3iuk h ALA 277 N 1.21 1.47 0.00 1.67 0.00 -0.82 -1.14 119.26 121.64 3iuk h ALA 277 Ca 0.07 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3iuk h ALA 277 Cb 0.73 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3iuk h ALA 277 CO 0.06 0.09 -0.40 0.78 0.00 0.00 0.00 179.25 179.77 3iuk h GLY 278 N 0.85 0.00 2.00 0.00 0.00 -1.23 -1.06 103.07 103.62 3iuk h GLY 278 Ca 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 3iuk h GLY 278 CO -0.31 0.00 -0.06 1.46 0.00 0.00 0.00 176.54 177.63 3iuk h GLN 279 N 0.00 0.00 0.08 4.80 4.20 -0.84 -2.96 115.11 120.39 3iuk h GLN 279 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3iuk h GLN 279 Cb 0.79 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3iuk h GLN 279 CO 0.05 0.06 -1.19 0.82 -0.67 0.00 0.00 178.83 177.90 3iuk h ILE 280 N 0.00 1.11 -2.73 2.54 2.04 -0.69 -3.46 117.51 116.31 3iuk h ILE 280 Ca -0.00 -2.35 -0.15 0.00 1.00 0.00 0.00 64.86 63.37 3iuk h ILE 280 Cb 0.73 2.70 -0.28 0.00 -0.74 0.00 0.00 36.82 39.23 3iuk h ILE 280 CO 0.01 0.61 -0.39 -0.75 0.00 0.00 0.00 178.15 177.63 3iuk s LYS 281 N -2.42 0.30 0.22 2.37 2.20 -0.48 -5.10 119.74 116.83 3iuk s LYS 281 Ca -0.22 0.78 -0.32 0.00 -0.36 0.00 0.00 55.97 55.86 3iuk s LYS 281 Cb 0.04 0.03 -0.14 0.00 -1.51 0.00 0.00 37.83 36.25 3iuk s LYS 281 CO 0.72 -0.20 1.42 -2.30 -0.36 0.00 0.00 175.35 174.63 3iuk n PRO 282 N 4.69 1.99 -0.63 4.03 -0.02 -1.12 -1.18 135.00 142.76 3iuk n PRO 282 Ca -0.18 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3iuk n PRO 282 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3iuk n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iuk n GLY 283 N 2.32 1.29 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.08 3iuk n GLY 283 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3iuk n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iuk s ALA 284 N -3.17 3.25 0.89 4.61 0.00 -0.32 -4.99 121.76 122.02 3iuk s ALA 284 Ca 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 3iuk s ALA 284 Cb 0.00 -3.45 0.13 0.00 0.00 0.00 0.00 23.12 19.79 3iuk s ALA 284 CO 0.00 -0.71 1.09 -1.54 0.00 0.00 0.00 175.76 174.60 3iuk s SER 285 N -0.84 3.47 0.23 0.00 1.04 -1.26 -4.25 113.70 112.09 3iuk s SER 285 Ca 0.56 1.55 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 3iuk s SER 285 Cb -0.36 -2.23 0.26 0.00 0.10 0.00 0.00 66.02 63.79 3iuk s SER 285 CO 0.46 -2.65 1.86 0.40 0.98 0.00 0.00 173.24 174.29 3iuk h ILE 286 N -1.56 1.10 -0.53 -1.02 2.04 -1.91 -0.73 117.51 114.91 3iuk h ILE 286 Ca -0.49 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 3iuk h ILE 286 Cb 1.28 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3iuk h ILE 286 CO 0.54 0.18 -0.04 -0.08 0.00 0.00 0.00 178.15 178.75 3iuk h GLU 287 N 0.98 0.95 -0.40 2.37 4.81 -1.98 -1.45 114.58 119.86 3iuk h GLU 287 Ca 0.33 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3iuk h GLU 287 Cb 0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3iuk h GLU 287 CO -0.13 0.99 0.22 0.93 -0.73 0.00 0.00 179.01 180.29 3iuk h GLU 288 N 0.82 0.56 -0.96 1.92 5.08 -1.76 -1.79 114.58 118.46 3iuk h GLU 288 Ca 0.14 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3iuk h GLU 288 Cb 0.58 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3iuk h GLU 288 CO 0.03 0.45 0.64 0.00 -1.00 0.00 0.00 179.01 179.13 3iuk h ALA 289 N 1.08 1.23 -0.31 3.43 0.00 -1.03 -2.28 119.26 121.38 3iuk h ALA 289 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3iuk h ALA 289 Cb 0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3iuk h ALA 289 CO -0.02 0.59 -0.12 0.87 0.00 0.00 0.00 179.25 180.57 3iuk h LYS 290 N 1.29 0.53 -0.15 0.00 1.57 -0.98 -0.58 116.57 118.24 3iuk h LYS 290 Ca 0.36 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 3iuk h LYS 290 Cb -0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3iuk h LYS 290 CO -0.08 0.65 -0.51 1.03 -0.57 0.00 0.00 179.45 179.96 3iuk h SER 291 N 0.49 0.47 -0.01 0.86 0.87 -1.00 0.45 113.55 115.68 3iuk h SER 291 Ca 0.09 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3iuk h SER 291 Cb 0.51 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3iuk h SER 291 CO 0.03 0.90 0.00 0.40 -0.53 0.00 0.00 176.83 177.63 3iuk h ILE 292 N 0.34 1.03 -0.42 2.23 2.04 -0.99 -2.15 117.51 119.60 3iuk h ILE 292 Ca 0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3iuk h ILE 292 Cb 1.01 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3iuk h ILE 292 CO 0.09 0.02 0.27 -0.07 0.00 0.00 0.00 178.15 178.46 3iuk h LEU 293 N -0.03 0.49 -0.45 1.44 3.38 -0.82 -1.54 115.31 117.78 3iuk h LEU 293 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3iuk h LEU 293 Cb 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3iuk h LEU 293 CO -0.00 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.49 3iuk n ASN 294 N -4.78 0.50 -0.16 -0.43 3.02 0.12 -3.34 115.26 110.19 3iuk n ASN 294 Ca 0.01 0.61 0.02 0.00 -0.03 0.00 0.00 54.58 55.20 3iuk n ASN 294 Cb 0.03 -0.72 0.01 0.00 -0.61 0.00 0.00 39.78 38.49 3iuk n ASN 294 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iuk n ASN 295 N -2.04 1.16 -4.65 6.41 3.02 -0.81 -4.96 115.26 113.38 3iuk n ASN 295 Ca 0.03 -1.08 -0.42 0.00 -0.03 0.00 0.00 54.58 53.08 3iuk n ASN 295 Cb 0.24 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 3iuk n ASN 295 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iuk s ASP 296 N -0.66 6.93 0.31 6.41 2.15 -0.62 -4.96 116.67 126.23 3iuk s ASP 296 Ca 0.05 1.17 0.07 0.00 0.43 0.00 0.00 52.55 54.26 3iuk s ASP 296 Cb 0.04 -2.48 0.78 0.00 -0.30 0.00 0.00 42.92 40.97 3iuk s ASP 296 CO 0.09 -0.57 1.76 -0.65 -0.17 0.00 0.00 175.17 175.63 3iuk h PRO 297 N 7.59 0.67 0.00 4.34 0.11 -1.91 -2.51 132.00 140.28 3iuk h PRO 297 Ca -0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3iuk h PRO 297 Cb 1.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3iuk h PRO 297 CO 0.91 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 179.14 3iuk n ALA 298 N -2.33 1.32 0.03 -0.75 0.00 -1.26 -0.71 120.51 116.81 3iuk n ALA 298 Ca 0.24 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3iuk n ALA 298 Cb 0.63 -1.18 0.19 0.00 0.00 0.00 0.00 19.45 19.09 3iuk n ALA 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iuk n ARG 299 N -1.72 2.40 -4.91 0.00 1.74 -0.94 -4.91 116.66 108.32 3iuk n ARG 299 Ca 0.01 -2.14 -0.33 0.00 -0.77 0.00 0.00 57.85 54.63 3iuk n ARG 299 Cb 0.09 -1.41 -0.13 0.00 -1.02 0.00 0.00 32.46 30.00 3iuk n ARG 299 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3iuk s GLN 300 N -1.15 2.53 -0.09 5.56 -0.21 0.11 -1.49 119.66 124.91 3iuk s GLN 300 Ca 0.32 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 55.04 3iuk s GLN 300 Cb 0.18 -2.37 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 3iuk s GLN 300 CO 0.25 0.60 -0.23 0.42 -2.12 0.00 0.00 175.29 174.20 3iuk s ILE 301 N -0.67 2.15 -0.36 1.08 1.01 0.42 -4.92 121.20 119.91 3iuk s ILE 301 Ca 0.10 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3iuk s ILE 301 Cb -0.11 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.55 3iuk s ILE 301 CO 0.01 0.56 0.47 -1.59 0.00 0.00 0.00 174.94 174.39 3iuk s LYS 302 N 0.20 3.55 0.00 2.79 0.00 -1.26 -1.25 119.74 123.78 3iuk s LYS 302 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 55.97 55.55 3iuk s LYS 302 Cb -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 37.83 33.84 3iuk s LYS 302 CO 0.07 -0.64 0.00 0.41 0.00 0.00 0.00 175.35 175.19 3iuk n GLY 303 N 4.87 -0.01 0.14 0.59 0.00 -0.53 -4.59 105.19 105.66 3iuk n GLY 303 Ca -0.06 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.31 3iuk n GLY 303 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3iuk h THR 304 N 0.00 0.77 -0.31 2.61 1.35 -1.92 -2.63 112.91 112.78 3iuk h THR 304 Ca 0.00 -2.12 0.01 0.00 -0.55 0.00 0.00 66.41 63.75 3iuk h THR 304 Cb 0.00 2.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 3iuk h THR 304 CO 0.00 0.44 0.19 0.44 -0.25 0.00 0.00 175.52 176.34 3iuk h ASP 305 N 0.00 0.32 -0.17 5.36 3.32 -2.00 -0.91 116.42 122.35 3iuk h ASP 305 Ca -0.03 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 3iuk h ASP 305 Cb 1.39 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3iuk h ASP 305 CO 0.06 0.24 -0.28 0.00 -1.72 0.00 0.00 179.24 177.54 3iuk h ALA 306 N 1.12 0.92 -0.19 3.45 0.00 -1.81 -1.54 119.26 121.22 3iuk h ALA 306 Ca 0.12 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3iuk h ALA 306 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3iuk h ALA 306 CO -0.04 0.62 0.04 1.25 0.00 0.00 0.00 179.25 181.12 3iuk h LEU 307 N 0.56 0.01 -0.56 0.00 5.85 -1.27 -0.17 115.31 119.74 3iuk h LEU 307 Ca 0.07 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3iuk h LEU 307 Cb 0.76 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3iuk h LEU 307 CO 0.06 0.04 0.32 0.11 -0.34 0.00 0.00 178.44 178.63 3iuk h LYS 308 N 0.12 0.61 -0.52 1.25 1.57 -0.91 -2.70 116.57 115.98 3iuk h LYS 308 Ca 0.09 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3iuk h LYS 308 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3iuk h LYS 308 CO -0.11 0.40 -0.02 0.00 -0.57 0.00 0.00 179.45 179.16 3iuk h ALA 309 N 1.26 0.99 0.00 3.86 0.00 -1.00 0.22 119.26 124.59 3iuk h ALA 309 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iuk h ALA 309 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3iuk h ALA 309 CO -0.12 0.61 0.00 1.87 0.00 0.00 0.00 179.25 181.62 3iuk n TRP 310 N -4.19 0.00 0.00 0.00 -0.00 -0.10 -1.22 117.44 111.93 3iuk n TRP 310 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 3iuk n TRP 310 Cb 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.63 3iuk n TRP 310 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 3iuk n GLN 312 N 0.30 0.00 -0.12 5.87 -0.06 0.75 -2.17 117.38 121.96 3iuk n GLN 312 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 54.89 3iuk n GLN 312 Cb 0.02 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.17 3iuk n GLN 312 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3iuk h GLU 313 N 0.00 0.67 -0.01 3.69 4.22 -1.41 0.11 114.58 121.85 3iuk h GLU 313 Ca 0.00 -0.26 0.02 0.00 0.08 0.00 0.00 59.36 59.20 3iuk h GLU 313 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3iuk h GLU 313 CO 0.00 0.83 -0.10 -0.07 -2.18 0.00 0.00 179.01 177.49 3iuk h LEU 314 N 0.46 -0.30 -0.07 1.64 3.38 -1.68 0.01 115.31 118.75 3iuk h LEU 314 Ca 0.09 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3iuk h LEU 314 Cb 0.58 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3iuk h LEU 314 CO 0.03 -0.15 0.03 0.28 0.09 0.00 0.00 178.44 178.73 3iuk h SER 315 N -0.17 0.09 -0.66 -0.43 0.02 -1.81 0.22 113.55 110.81 3iuk h SER 315 Ca 0.04 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3iuk h SER 315 Cb 0.23 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3iuk h SER 315 CO -0.11 0.18 0.32 0.44 -1.14 0.00 0.00 176.83 176.52 3iuk h ASP 316 N -0.01 0.88 -0.30 3.07 3.32 -0.74 -1.31 116.42 121.33 3iuk h ASP 316 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3iuk h ASP 316 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3iuk h ASP 316 CO -0.00 0.75 -0.01 -0.09 -1.72 0.00 0.00 179.24 178.17 3iuk h ARG 317 N 0.97 0.53 -0.57 3.56 2.43 -0.74 0.71 114.38 121.26 3iuk h ARG 317 Ca 0.24 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 3iuk h ARG 317 Cb 0.11 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 3iuk h ARG 317 CO -0.03 0.68 0.24 0.00 -1.51 0.00 0.00 179.97 179.35 3iuk h ALA 318 N 0.83 0.74 0.11 2.80 0.00 -0.74 -0.91 119.26 122.08 3iuk h ALA 318 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iuk h ALA 318 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iuk h ALA 318 CO 0.02 -0.15 -0.05 0.28 0.00 0.00 0.00 179.25 179.34 3iuk h VAL 319 N 0.44 0.97 -0.23 0.00 2.07 -1.02 -1.75 116.25 116.73 3iuk h VAL 319 Ca 0.28 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3iuk h VAL 319 Cb 0.29 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3iuk h VAL 319 CO -0.25 0.07 -0.16 0.77 0.02 0.00 0.00 177.57 178.02 3iuk h SER 320 N -0.28 0.37 0.94 0.57 4.64 -0.63 -0.90 113.55 118.27 3iuk h SER 320 Ca -0.02 -0.10 -0.21 0.00 -0.47 0.00 0.00 61.79 61.00 3iuk h SER 320 Cb 0.23 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3iuk h SER 320 CO 0.02 0.56 -1.12 -0.33 -0.87 0.00 0.00 176.83 175.09 3iuk h GLU 321 N 0.35 0.00 0.10 4.77 5.08 -1.09 -3.35 114.58 120.45 3iuk h GLU 321 Ca 0.06 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.12 3iuk h GLU 321 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3iuk h GLU 321 CO 0.03 0.72 -1.60 -0.07 -1.00 0.00 0.00 179.01 177.09 3iuk h LEU 322 N 0.00 0.32 -9.29 1.33 3.38 -1.24 -3.43 115.31 106.39 3iuk h LEU 322 Ca -0.09 -0.50 -0.67 0.00 0.09 0.00 0.00 57.88 56.72 3iuk h LEU 322 Cb 1.74 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 42.42 3iuk h LEU 322 CO 0.10 1.42 0.73 0.00 0.09 0.00 0.00 178.44 180.78 3iuk n ALA 323 N -2.68 -0.05 -1.37 1.53 0.00 -0.35 -1.01 120.51 116.58 3iuk n ALA 323 Ca -0.18 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 3iuk n ALA 323 Cb 1.04 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 3iuk n ALA 323 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iuk n ASP 324 N 4.01 -5.41 0.03 0.00 2.03 0.19 -4.74 116.55 112.65 3iuk n ASP 324 Ca 0.21 0.32 -0.01 0.00 0.52 0.00 0.00 54.79 55.82 3iuk n ASP 324 Cb 0.21 -4.04 -0.00 0.00 -0.72 0.00 0.00 41.12 36.57 3iuk n ASP 324 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3iuk n VAL 325 N -2.34 1.24 0.01 5.18 0.31 -0.20 -4.90 118.33 117.63 3iuk n VAL 325 Ca -0.13 0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.63 3iuk n VAL 325 Cb 0.57 -1.67 -0.09 0.00 -0.91 0.00 0.00 33.84 31.73 3iuk n VAL 325 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3iuk n HIS 326 N -3.59 0.00 -3.90 3.52 8.25 -0.18 -4.49 115.22 114.83 3iuk n HIS 326 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 3iuk n HIS 326 Cb 0.06 -0.27 -0.10 0.00 1.12 0.00 0.00 29.99 30.80 3iuk n HIS 326 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3iuk s PHE 327 N -2.83 0.11 -0.29 4.41 0.08 -1.14 -3.99 117.98 114.34 3iuk s PHE 327 Ca -0.04 -0.28 -0.24 0.00 0.12 0.00 0.00 56.93 56.48 3iuk s PHE 327 Cb 0.08 -0.09 -0.00 0.00 -0.57 0.00 0.00 43.02 42.44 3iuk s PHE 327 CO 0.51 -0.29 0.82 -0.51 -0.10 0.00 0.00 175.22 175.65 3iuk s ASP 328 N -1.55 6.73 -0.39 1.36 1.01 -1.26 -0.64 116.67 121.93 3iuk s ASP 328 Ca -0.13 0.80 0.03 0.00 0.71 0.00 0.00 52.55 53.96 3iuk s ASP 328 Cb -0.07 -2.42 0.11 0.00 1.01 0.00 0.00 42.92 41.55 3iuk s ASP 328 CO -0.00 -0.60 0.13 -0.63 0.21 0.00 0.00 175.17 174.28 3iuk s ILE 329 N 2.96 1.91 0.59 0.77 1.01 -1.26 -4.98 121.20 122.21 3iuk s ILE 329 Ca 0.34 -2.38 -0.19 0.00 0.00 0.00 0.00 60.65 58.42 3iuk s ILE 329 Cb -0.14 -2.39 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 3iuk s ILE 329 CO 0.11 -0.70 0.90 -2.65 0.00 0.00 0.00 174.94 172.60 3iuk n PRO 330 N 4.03 0.85 -0.31 2.79 -0.02 -1.26 -4.69 135.00 136.40 3iuk n PRO 330 Ca 0.04 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 3iuk n PRO 330 Cb 0.39 -2.09 0.32 0.00 -0.02 0.00 0.00 33.50 32.09 3iuk n PRO 330 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iuk h ASP 331 N 0.48 0.28 0.00 2.55 3.32 -2.05 -2.59 116.42 118.41 3iuk h ASP 331 Ca -0.48 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3iuk h ASP 331 Cb 1.37 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.08 3iuk h ASP 331 CO 0.50 -0.05 0.00 1.33 -1.72 0.00 0.00 179.24 179.31 3iuk n VAL 332 N -5.08 0.57 0.00 -1.35 0.24 -1.26 -4.20 118.33 107.25 3iuk n VAL 332 Ca 0.23 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3iuk n VAL 332 Cb 0.69 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 3iuk n VAL 332 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3iuk n LYS 334 N 1.58 0.00 -2.72 7.34 5.02 -0.98 -4.89 118.16 123.52 3iuk n LYS 334 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 3iuk n LYS 334 Cb 0.16 -0.62 -0.03 0.00 -0.02 0.00 0.00 35.03 34.52 3iuk n LYS 334 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iuk s THR 335 N -0.04 4.55 -0.29 -0.18 2.01 -1.26 -4.96 115.64 115.46 3iuk s THR 335 Ca 0.00 1.50 0.03 0.00 0.31 0.00 0.00 61.69 63.53 3iuk s THR 335 Cb 0.00 -4.37 0.08 0.00 0.01 0.00 0.00 72.50 68.22 3iuk s THR 335 CO 0.00 -0.50 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.20 3iuk s LEU 336 N 3.57 3.68 -0.08 4.42 2.96 -1.26 -4.06 118.68 127.91 3iuk s LEU 336 Ca 0.42 -1.69 -0.25 0.00 -0.22 0.00 0.00 54.13 52.40 3iuk s LEU 336 Cb -0.12 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3iuk s LEU 336 CO 0.17 -0.30 0.76 -1.61 -1.32 0.00 0.00 176.35 174.05 3iuk s GLU 337 N 1.13 4.42 -0.12 1.98 2.02 -0.86 -4.90 118.70 122.37 3iuk s GLU 337 Ca 0.02 0.97 -0.08 0.00 0.02 0.00 0.00 54.97 55.90 3iuk s GLU 337 Cb -0.19 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3iuk s GLU 337 CO -0.08 -0.04 0.15 0.00 0.02 0.00 0.00 175.26 175.31 3iuk s ILE 340 N -0.86 2.39 0.33 0.00 -1.09 -1.26 -4.94 121.20 115.77 3iuk s ILE 340 Ca 0.15 -0.94 -0.28 0.00 -2.23 0.00 0.00 60.65 57.35 3iuk s ILE 340 Cb -0.12 -1.91 -0.09 0.00 -1.58 0.00 0.00 42.46 38.76 3iuk s ILE 340 CO 0.04 0.56 1.16 0.00 -1.23 0.00 0.00 174.94 175.47 3iuk s ALA 341 N -0.10 3.34 0.23 9.38 0.00 0.04 -4.78 121.76 129.88 3iuk s ALA 341 Ca -0.04 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 3iuk s ALA 341 Cb -0.14 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.83 3iuk s ALA 341 CO 0.04 -0.35 1.81 -1.00 0.00 0.00 0.00 175.76 176.26 3iuk h PRO 342 N 3.33 1.14 -6.39 0.00 0.13 -2.00 -3.43 132.00 124.79 3iuk h PRO 342 Ca -0.48 -0.19 -0.61 0.00 -0.87 0.00 0.00 66.00 63.85 3iuk h PRO 342 Cb 1.22 -0.19 -0.13 0.00 0.13 0.00 0.00 31.00 32.03 3iuk h PRO 342 CO 0.65 0.91 -0.70 0.99 -0.23 0.00 0.00 178.00 179.62 3iuk s THR 343 N -5.56 3.30 -0.22 1.56 2.01 -1.26 -5.05 115.64 110.42 3iuk s THR 343 Ca -0.12 -1.67 -0.09 0.00 0.31 0.00 0.00 61.69 60.12 3iuk s THR 343 Cb 0.16 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 3iuk s THR 343 CO 0.83 -0.15 0.11 1.51 -0.69 0.00 0.00 174.62 176.22 3iuk s ASP 344 N -2.98 5.72 0.00 3.53 1.47 -1.26 -4.67 116.67 118.48 3iuk s ASP 344 Ca 0.26 0.02 0.00 0.00 1.18 0.00 0.00 52.55 54.01 3iuk s ASP 344 Cb -0.08 -2.02 0.00 0.00 -0.34 0.00 0.00 42.92 40.48 3iuk s ASP 344 CO 0.16 0.07 0.00 0.61 0.68 0.00 0.00 175.17 176.70 3iuk n GLY 347 N 4.22 0.00 3.74 2.12 0.00 -1.26 -4.71 105.19 109.29 3iuk n GLY 347 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3iuk n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iuk s ILE 348 N 0.00 5.36 0.18 -0.61 1.01 -1.26 -0.28 121.20 125.61 3iuk s ILE 348 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3iuk s ILE 348 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3iuk s ILE 348 CO 0.00 0.46 -0.07 -0.72 0.00 0.00 0.00 174.94 174.62 3iuk s TYR 349 N 0.21 1.38 -0.04 3.97 -0.85 -0.55 -4.95 117.35 116.51 3iuk s TYR 349 Ca 0.08 -0.82 0.03 0.00 -0.52 0.00 0.00 57.07 55.85 3iuk s TYR 349 Cb -0.11 -0.74 -0.03 0.00 0.38 0.00 0.00 41.96 41.46 3iuk s TYR 349 CO -0.01 0.04 -0.13 -0.47 -1.52 0.00 0.00 175.55 173.45 3iuk s TYR 350 N -3.36 2.73 -0.14 -3.49 5.04 -1.26 -0.08 117.35 116.80 3iuk s TYR 350 Ca 0.21 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.72 3iuk s TYR 350 Cb 0.04 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.74 3iuk s TYR 350 CO 0.04 0.22 -0.15 0.95 -1.34 0.00 0.00 175.55 175.26 3iuk s THR 351 N -0.77 1.61 0.93 4.34 -4.23 0.17 -5.00 115.64 112.68 3iuk s THR 351 Ca 0.12 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 3iuk s THR 351 Cb -0.11 -1.49 0.15 0.00 1.34 0.00 0.00 72.50 72.39 3iuk s THR 351 CO 0.01 0.46 1.09 -0.83 -0.54 0.00 0.00 174.62 174.82 3iuk s GLY 352 N 1.27 1.62 0.85 3.99 0.00 -1.26 -1.16 107.32 112.62 3iuk s GLY 352 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.62 3iuk s GLY 352 CO -0.07 0.50 1.12 2.56 0.00 0.00 0.00 173.10 177.21 3iuk s PRO 353 N -4.85 1.61 0.83 2.90 0.04 -1.26 -4.54 135.00 129.73 3iuk s PRO 353 Ca 0.64 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 3iuk s PRO 353 Cb -0.19 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.64 3iuk s PRO 353 CO 0.58 -2.16 1.12 -1.54 0.04 0.00 0.00 177.00 175.04 3iuk s SER 354 N -3.00 3.77 0.40 6.66 1.04 -0.21 -4.90 113.70 117.46 3iuk s SER 354 Ca 0.64 2.02 0.09 0.00 0.48 0.00 0.00 55.95 59.19 3iuk s SER 354 Cb -0.20 -2.55 0.88 0.00 0.10 0.00 0.00 66.02 64.26 3iuk s SER 354 CO 0.57 -2.53 2.00 0.44 0.98 0.00 0.00 173.24 174.69 3iuk h ASP 355 N -1.41 0.50 -0.04 7.02 3.32 -1.94 -1.07 116.42 122.79 3iuk h ASP 355 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3iuk h ASP 355 Cb 1.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3iuk h ASP 355 CO 0.47 0.32 0.00 -0.90 -1.72 0.00 0.00 179.24 177.41 3iuk n ASP 356 N -4.47 2.23 -0.01 6.45 5.68 -1.26 -4.88 116.55 120.29 3iuk n ASP 356 Ca 0.08 -1.74 -0.00 0.00 -0.50 0.00 0.00 54.79 52.63 3iuk n ASP 356 Cb 0.23 -0.01 -0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3iuk n ASP 356 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3iuk n PHE 357 N 0.74 0.00 0.21 2.11 3.72 -0.41 -4.85 117.46 118.98 3iuk n PHE 357 Ca 0.17 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.62 3iuk n PHE 357 Cb 0.47 -1.04 0.46 0.00 -0.94 0.00 0.00 39.48 38.43 3iuk n PHE 357 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3iuk h SER 358 N 0.00 0.00 -3.64 4.37 4.64 -1.92 -3.37 113.55 113.63 3iuk h SER 358 Ca -0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 3iuk h SER 358 Cb 0.52 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.38 3iuk h SER 358 CO 0.00 0.28 -0.62 -0.60 -0.87 0.00 0.00 176.83 175.02 3iuk s ARG 359 N -4.28 3.59 0.78 4.77 3.52 -1.26 -5.01 118.95 121.06 3iuk s ARG 359 Ca -0.03 -0.53 -0.11 0.00 -0.13 0.00 0.00 55.73 54.93 3iuk s ARG 359 Cb 0.14 -3.36 0.06 0.00 -1.56 0.00 0.00 34.95 30.23 3iuk s ARG 359 CO 0.69 -0.23 1.09 -1.25 -0.81 0.00 0.00 175.30 174.79 3iuk s PRO 360 N 1.61 2.26 0.67 5.12 0.04 -1.26 -1.05 135.00 142.39 3iuk s PRO 360 Ca 0.06 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 3iuk s PRO 360 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3iuk s PRO 360 CO 0.04 -1.53 1.25 0.41 0.04 0.00 0.00 177.00 177.21 3iuk n GLY 361 N -1.98 0.39 0.00 0.56 0.00 -1.26 -4.34 105.19 98.55 3iuk n GLY 361 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3iuk n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iuk n ARG 362 N -2.04 0.00 -3.63 1.61 1.74 -0.31 -2.03 116.66 112.00 3iuk n ARG 362 Ca 0.15 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3iuk n ARG 362 Cb 0.48 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.86 3iuk n ARG 362 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3iuk s TRP 364 N -1.25 -0.35 -0.25 -1.55 0.52 0.89 -0.66 118.94 116.29 3iuk s TRP 364 Ca 0.00 0.69 -0.11 0.00 0.02 0.00 0.00 56.10 56.70 3iuk s TRP 364 Cb 0.00 0.21 -0.05 0.00 -1.15 0.00 0.00 33.47 32.48 3iuk s TRP 364 CO 0.00 -0.17 0.18 -0.46 0.02 0.00 0.00 176.95 176.52 3iuk s TRP 365 N 1.25 3.29 -0.34 -1.98 -0.11 -1.26 -1.48 118.94 118.31 3iuk s TRP 365 Ca -0.08 0.21 -0.20 0.00 1.22 0.00 0.00 56.10 57.24 3iuk s TRP 365 Cb -0.03 -2.31 -0.00 0.00 -1.50 0.00 0.00 33.47 29.62 3iuk s TRP 365 CO -0.13 -0.01 0.61 0.45 -4.62 0.00 0.00 176.95 173.26 3iuk s SER 366 N 1.27 6.43 -0.24 5.86 0.15 0.62 -0.78 113.70 127.01 3iuk s SER 366 Ca 0.08 0.21 -0.17 0.00 0.70 0.00 0.00 55.95 56.77 3iuk s SER 366 Cb -0.14 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 3iuk s SER 366 CO 0.07 -0.54 0.47 -0.69 1.20 0.00 0.00 173.24 173.74 3iuk s VAL 367 N 2.62 5.12 0.60 4.45 1.01 -1.26 -4.29 120.40 128.65 3iuk s VAL 367 Ca 0.24 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 3iuk s VAL 367 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3iuk s VAL 367 CO 0.14 0.14 1.16 -2.84 0.00 0.00 0.00 175.10 173.70 3iuk s PRO 368 N 1.98 3.03 0.09 2.72 0.02 -1.26 -4.54 135.00 137.04 3iuk s PRO 368 Ca 0.20 1.66 -0.35 0.00 0.02 0.00 0.00 61.00 62.53 3iuk s PRO 368 Cb -0.15 -1.96 -0.19 0.00 0.02 0.00 0.00 34.50 32.22 3iuk s PRO 368 CO 0.09 -1.12 0.83 0.00 -0.33 0.00 0.00 177.00 176.47 3iuk n ALA 369 N -1.72 -3.31 -2.33 -1.55 0.00 -1.26 -1.88 120.51 108.46 3iuk n ALA 369 Ca 0.12 0.53 -0.06 0.00 0.00 0.00 0.00 53.44 54.03 3iuk n ALA 369 Cb 0.51 -1.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3iuk n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuk n GLY 370 N 1.72 -0.38 3.88 0.00 0.00 -1.26 -4.93 105.19 104.21 3iuk n GLY 370 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3iuk n GLY 370 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iuk s GLU 371 N -4.73 3.28 0.00 1.61 2.02 -0.79 -4.99 118.70 115.10 3iuk s GLU 371 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.50 3iuk s GLU 371 Cb 0.00 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.27 3iuk s GLU 371 CO 0.00 0.61 0.00 -3.47 0.02 0.00 0.00 175.26 172.42 3iuk n ASP 372 N 0.44 0.00 -4.27 -0.19 2.03 -1.26 -4.85 116.55 108.45 3iuk n ASP 372 Ca -0.07 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.97 3iuk n ASP 372 Cb 0.51 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.77 3iuk n ASP 372 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3iuk s THR 373 N 0.00 1.80 -0.01 5.18 2.01 -1.26 -1.45 115.64 121.91 3iuk s THR 373 Ca 0.00 -1.17 0.03 0.00 0.31 0.00 0.00 61.69 60.86 3iuk s THR 373 Cb 0.00 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 3iuk s THR 373 CO 0.00 0.32 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.79 3iuk s PHE 374 N -0.72 0.96 -0.22 4.92 0.08 -0.38 -4.95 117.98 117.68 3iuk s PHE 374 Ca 0.09 -0.19 -0.07 0.00 0.12 0.00 0.00 56.93 56.88 3iuk s PHE 374 Cb -0.09 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.70 3iuk s PHE 374 CO 0.01 -0.03 0.07 0.99 -0.10 0.00 0.00 175.22 176.16 3iuk s THR 375 N -0.19 4.55 -0.12 0.64 2.01 -1.26 -0.43 115.64 120.83 3iuk s THR 375 Ca 0.03 -0.10 0.09 0.00 0.31 0.00 0.00 61.69 62.02 3iuk s THR 375 Cb -0.05 -3.09 -0.24 0.00 0.01 0.00 0.00 72.50 69.14 3iuk s THR 375 CO -0.00 0.39 0.36 0.41 -0.69 0.00 0.00 174.62 175.09 3iuk n THR 376 N 4.28 1.57 -0.13 -0.82 -1.04 -0.55 -4.50 114.28 113.09 3iuk n THR 376 Ca -0.16 -0.76 0.08 0.00 -2.04 0.00 0.00 64.05 61.16 3iuk n THR 376 Cb 0.52 -1.06 0.41 0.00 -1.82 0.00 0.00 70.33 68.38 3iuk n THR 376 CO 0.00 0.00 0.00 4.11 -0.64 0.00 0.00 175.07 178.54 3iuk h TRP 377 N 0.01 0.64 0.00 -1.42 5.08 -1.89 0.14 115.95 118.52 3iuk h TRP 377 Ca -0.41 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.58 3iuk h TRP 377 Cb 2.07 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 28.02 3iuk h TRP 377 CO 0.02 0.33 -0.14 -1.13 -1.28 0.00 0.00 178.44 176.25 3iuk n SER 378 N -4.48 0.62 -0.15 0.11 3.41 -1.26 -3.82 113.62 108.05 3iuk n SER 378 Ca 0.10 0.44 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 3iuk n SER 378 Cb 0.25 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3iuk n SER 378 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iuk n GLU 379 N -2.04 2.66 -0.14 4.33 -0.58 0.45 -4.46 120.64 120.85 3iuk n GLU 379 Ca 0.05 -0.37 -0.03 0.00 -0.42 0.00 0.00 57.16 56.39 3iuk n GLU 379 Cb 0.41 -1.06 0.05 0.00 -0.57 0.00 0.00 31.44 30.27 3iuk n GLU 379 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 3iuk h THR 380 N 0.72 0.70 -0.71 2.62 2.02 -1.51 -0.88 112.91 115.86 3iuk h THR 380 Ca 0.00 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.16 3iuk h THR 380 Cb 0.32 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3iuk h THR 380 CO 0.00 0.03 0.47 0.00 0.37 0.00 0.00 175.52 176.39 3iuk h THR 381 N 0.18 1.09 -0.18 3.16 1.03 -1.82 -2.10 112.91 114.27 3iuk h THR 381 Ca 0.23 -0.29 -0.07 0.00 -0.01 0.00 0.00 66.41 66.27 3iuk h THR 381 Cb 0.32 0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 67.56 3iuk h THR 381 CO -0.33 0.15 -0.19 0.74 -0.01 0.00 0.00 175.52 175.88 3iuk h THR 382 N 0.85 1.22 -0.43 0.00 2.02 -1.43 -0.61 112.91 114.53 3iuk h THR 382 Ca 0.29 -1.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 3iuk h THR 382 Cb 0.09 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3iuk h THR 382 CO -0.08 0.32 -0.12 0.58 0.37 0.00 0.00 175.52 176.59 3iuk h VAL 383 N 0.29 1.26 -0.23 3.16 2.07 -0.58 0.14 116.25 122.35 3iuk h VAL 383 Ca 0.05 -1.18 -0.21 0.00 0.82 0.00 0.00 66.70 66.19 3iuk h VAL 383 Cb 0.51 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3iuk h VAL 383 CO 0.03 0.40 -0.66 -0.26 0.02 0.00 0.00 177.57 177.11 3iuk h PHE 384 N 0.70 1.10 0.55 1.57 0.04 -1.33 -0.72 116.94 118.86 3iuk h PHE 384 Ca 0.12 -0.44 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 3iuk h PHE 384 Cb 0.60 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3iuk h PHE 384 CO 0.03 1.27 -0.34 1.25 -0.60 0.00 0.00 178.31 179.93 3iuk h HIS 385 N 0.62 -0.88 0.00 -0.55 2.76 -0.92 -0.83 115.15 115.34 3iuk h HIS 385 Ca -0.02 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3iuk h HIS 385 Cb 1.28 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 30.55 3iuk h HIS 385 CO 0.08 -0.51 -0.53 0.93 -1.30 0.00 0.00 177.93 176.60 3iuk h GLU 386 N -0.84 0.00 0.00 5.26 4.39 -0.84 -1.12 114.58 121.44 3iuk h GLU 386 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3iuk h GLU 386 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3iuk h GLU 386 CO 0.07 0.13 0.00 0.41 -1.16 0.00 0.00 179.01 178.47 3iuk n GLY 387 N 1.18 0.82 3.52 -3.84 0.00 -0.28 -3.69 105.19 102.91 3iuk n GLY 387 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3iuk n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iuk s VAL 388 N 2.75 4.11 -0.61 1.61 1.01 -1.24 -0.59 120.40 127.44 3iuk s VAL 388 Ca 0.00 -0.28 0.16 0.00 0.00 0.00 0.00 61.98 61.86 3iuk s VAL 388 Cb 0.00 -2.82 0.73 0.00 0.00 0.00 0.00 36.38 34.29 3iuk s VAL 388 CO 0.00 0.48 1.65 -0.81 0.00 0.00 0.00 175.10 176.42 3iuk n PRO 389 N 3.63 4.14 0.00 2.72 -0.04 -1.20 -4.31 135.00 139.93 3iuk n PRO 389 Ca -0.17 -2.99 0.00 0.00 -0.04 0.00 0.00 63.50 60.30 3iuk n PRO 389 Cb 0.52 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3iuk n PRO 389 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iuk n GLY 390 N 0.68 -0.61 0.34 0.55 0.00 -0.32 -4.36 105.19 101.47 3iuk n GLY 390 Ca 0.26 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3iuk n GLY 390 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iuk h HIS 391 N 0.00 0.97 -0.17 1.61 3.86 -0.99 -2.05 115.15 118.38 3iuk h HIS 391 Ca 0.00 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3iuk h HIS 391 Cb 0.00 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 3iuk h HIS 391 CO 0.00 0.24 0.06 1.25 0.86 0.00 0.00 177.93 180.34 3iuk h HIS 392 N 0.74 0.12 -0.37 2.45 -0.00 -0.92 0.46 115.15 117.62 3iuk h HIS 392 Ca 0.53 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.79 3iuk h HIS 392 Cb 0.77 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 3iuk h HIS 392 CO -0.04 0.06 -0.24 -0.07 -0.00 0.00 0.00 177.93 177.65 3iuk h LEU 393 N 0.15 0.76 0.30 0.26 3.38 -1.49 -0.74 115.31 117.94 3iuk h LEU 393 Ca 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3iuk h LEU 393 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3iuk h LEU 393 CO -0.07 0.98 -0.14 -0.61 0.09 0.00 0.00 178.44 178.69 3iuk h GLN 394 N 0.65 -0.38 -0.38 1.13 -0.00 -1.17 -1.59 115.11 113.36 3iuk h GLN 394 Ca 0.09 0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.65 3iuk h GLN 394 Cb 0.75 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.30 3iuk h GLN 394 CO 0.06 -0.05 -0.23 0.28 0.00 0.00 0.00 178.83 178.89 3iuk h VAL 395 N -0.81 1.28 -0.14 2.39 2.07 -0.11 -1.96 116.25 118.98 3iuk h VAL 395 Ca -0.04 -1.37 -0.14 0.00 0.82 0.00 0.00 66.70 65.97 3iuk h VAL 395 Cb 0.51 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3iuk h VAL 395 CO 0.07 0.46 -0.51 0.00 0.02 0.00 0.00 177.57 177.60 3iuk h ALA 396 N 0.79 0.86 -0.21 1.67 0.00 -1.23 -0.30 119.26 120.85 3iuk h ALA 396 Ca 0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3iuk h ALA 396 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3iuk h ALA 396 CO 0.06 0.67 -0.02 1.15 0.00 0.00 0.00 179.25 181.12 3iuk h THR 397 N 0.30 1.27 -0.41 0.00 2.02 -1.12 0.17 112.91 115.14 3iuk h THR 397 Ca 0.01 -0.94 0.08 0.00 0.77 0.00 0.00 66.41 66.33 3iuk h THR 397 Cb 1.01 1.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 3iuk h THR 397 CO 0.09 0.29 -0.04 0.00 0.37 0.00 0.00 175.52 176.22 3iuk h ALA 398 N 0.78 0.33 -0.81 6.16 0.00 -1.15 -1.37 119.26 123.21 3iuk h ALA 398 Ca 0.06 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iuk h ALA 398 Cb 0.44 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3iuk h ALA 398 CO 0.01 -0.42 0.50 1.15 0.00 0.00 0.00 179.25 180.49 3iuk h THR 399 N 0.06 1.22 -0.39 0.00 2.02 -0.77 -2.29 112.91 112.76 3iuk h THR 399 Ca 0.20 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3iuk h THR 399 Cb 0.30 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3iuk h THR 399 CO -0.37 0.23 0.26 0.22 0.37 0.00 0.00 175.52 176.23 3iuk h TYR 400 N 1.10 0.34 -0.46 3.16 3.20 0.06 -2.05 116.97 122.33 3iuk h TYR 400 Ca 0.29 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3iuk h TYR 400 Cb -0.06 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3iuk h TYR 400 CO -0.01 0.19 0.00 0.54 -1.64 0.00 0.00 178.16 177.25 3iuk n ARG 401 N -4.48 3.10 0.24 1.82 5.12 -0.58 -4.65 116.66 117.23 3iuk n ARG 401 Ca 0.04 -2.08 0.09 0.00 -1.93 0.00 0.00 57.85 53.97 3iuk n ARG 401 Cb 0.20 -1.77 0.62 0.00 -1.16 0.00 0.00 32.46 30.35 3iuk n ARG 401 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 3iuk h ARG 402 N 2.93 0.00 0.00 5.56 0.11 -1.22 -1.36 114.38 120.41 3iuk h ARG 402 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iuk h ARG 402 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3iuk h ARG 402 CO 0.20 0.16 0.00 0.93 0.10 0.00 0.00 179.97 181.36 3iuk h GLU 403 N 0.00 0.00 -0.00 0.08 4.39 -1.84 -1.63 114.58 115.57 3iuk h GLU 403 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iuk h GLU 403 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3iuk h GLU 403 CO 0.02 0.00 -0.23 1.28 -1.16 0.00 0.00 179.01 178.92 3iuk n LEU 404 N -2.40 0.56 -4.22 1.33 4.32 -0.51 -4.69 117.00 111.38 3iuk n LEU 404 Ca 0.01 -0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.68 3iuk n LEU 404 Cb 0.22 -0.22 -0.17 0.00 -1.62 0.00 0.00 43.42 41.63 3iuk n LEU 404 CO 0.20 0.11 -0.55 -0.76 -1.22 0.00 0.00 177.39 175.17 3iuk s LEU 405 N -2.68 2.14 1.13 2.23 1.43 -0.62 -5.01 118.68 117.31 3iuk s LEU 405 Ca 0.21 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 3iuk s LEU 405 Cb 0.19 -1.43 0.25 0.00 0.03 0.00 0.00 46.19 45.23 3iuk s LEU 405 CO 0.55 0.15 1.10 0.54 0.23 0.00 0.00 176.35 178.92 3iuk s ASN 406 N 0.41 1.51 0.30 2.29 2.20 -1.26 -4.73 114.94 115.65 3iuk s ASN 406 Ca -0.17 0.85 0.12 0.00 -0.94 0.00 0.00 52.86 52.72 3iuk s ASN 406 Cb -0.17 -1.26 0.44 0.00 -2.00 0.00 0.00 41.25 38.25 3iuk s ASN 406 CO 0.07 -3.79 1.65 0.78 -2.94 0.00 0.00 177.10 172.87 3iuk h ASN 407 N -2.35 0.00 -0.07 3.54 2.35 -1.88 -1.38 115.58 115.79 3iuk h ASN 407 Ca -0.49 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 3iuk h ASN 407 Cb 1.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.68 3iuk h ASN 407 CO 0.44 0.56 0.00 -0.25 -1.65 0.00 0.00 177.43 176.52 3iuk h TRP 408 N 0.00 0.14 -0.79 1.19 7.01 -1.93 0.59 115.95 122.16 3iuk h TRP 408 Ca -0.01 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.04 3iuk h TRP 408 Cb 1.03 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.99 3iuk h TRP 408 CO 0.00 0.39 0.47 0.00 -2.79 0.00 0.00 178.44 176.52 3iuk h ARG 409 N -0.16 0.83 -0.03 2.65 2.47 -1.84 0.50 114.38 118.79 3iuk h ARG 409 Ca 0.02 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 3iuk h ARG 409 Cb 0.34 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3iuk h ARG 409 CO 0.00 0.55 -0.25 0.00 0.56 0.00 0.00 179.97 180.83 3iuk h ARG 410 N 0.86 0.23 -0.00 0.04 3.08 -1.14 -3.38 114.38 114.07 3iuk h ARG 410 Ca 0.35 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iuk h ARG 410 Cb 0.20 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3iuk h ARG 410 CO -0.19 0.87 -0.08 0.09 -1.07 0.00 0.00 179.97 179.60 3iuk n ASN 411 N -4.51 0.50 0.05 7.04 5.03 0.19 -4.82 115.26 118.74 3iuk n ASN 411 Ca -0.09 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.61 3iuk n ASN 411 Cb 0.48 0.66 0.00 0.00 -1.02 0.00 0.00 39.78 39.90 3iuk n ASN 411 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3iuk n VAL 412 N -0.65 0.85 -1.85 2.41 0.31 -0.67 -5.02 118.33 113.71 3iuk n VAL 412 Ca 0.01 0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 64.19 3iuk n VAL 412 Cb 0.05 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 31.62 3iuk n VAL 412 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iuk s TRP 414 N 5.29 -0.61 -0.14 0.00 -0.00 -1.26 -4.68 118.94 117.54 3iuk s TRP 414 Ca 0.83 1.26 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 3iuk s TRP 414 Cb -0.34 0.23 0.02 0.00 -0.00 0.00 0.00 33.47 33.38 3iuk s TRP 414 CO 0.34 -0.37 -0.12 0.08 -0.00 0.00 0.00 176.95 176.88 3iuk s VAL 415 N 1.78 1.43 0.22 5.86 1.01 -1.26 -5.03 120.40 124.41 3iuk s VAL 415 Ca -0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3iuk s VAL 415 Cb -0.10 -1.36 0.26 0.00 0.00 0.00 0.00 36.38 35.19 3iuk s VAL 415 CO -0.12 0.43 1.62 -1.28 0.00 0.00 0.00 175.10 175.76 3iuk h SER 416 N 8.06 -0.57 0.20 3.32 0.87 -1.83 -0.94 113.55 122.66 3iuk h SER 416 Ca -0.36 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 3iuk h SER 416 Cb 1.14 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3iuk h SER 416 CO 0.50 -0.21 -0.12 1.23 -0.53 0.00 0.00 176.83 177.69 3iuk h GLY 417 N 0.02 0.00 0.69 5.77 0.00 -0.64 0.12 103.07 109.02 3iuk h GLY 417 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3iuk h GLY 417 CO -0.69 0.00 -0.25 0.84 0.00 0.00 0.00 176.54 176.45 3iuk h HIS 418 N 0.00 -0.64 0.17 5.60 6.17 -1.42 -1.76 115.15 123.27 3iuk h HIS 418 Ca -0.00 -0.02 -0.30 0.00 0.71 0.00 0.00 60.37 60.77 3iuk h HIS 418 Cb 0.25 0.21 0.02 0.00 2.52 0.00 0.00 27.41 30.42 3iuk h HIS 418 CO 0.00 -0.32 -1.32 0.78 0.71 0.00 0.00 177.93 177.78 3iuk h GLY 419 N -1.02 0.44 1.63 5.26 0.00 -1.33 -1.68 103.07 106.37 3iuk h GLY 419 Ca -0.07 -1.11 -0.21 0.00 0.00 0.00 0.00 47.33 45.94 3iuk h GLY 419 CO 0.12 0.97 -0.90 0.83 0.00 0.00 0.00 176.54 177.56 3iuk h GLU 420 N 0.11 0.33 -0.40 4.80 4.39 -0.92 -2.22 114.58 120.68 3iuk h GLU 420 Ca -0.18 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.08 3iuk h GLU 420 Cb 2.03 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.76 3iuk h GLU 420 CO 0.23 1.04 -0.10 0.78 -1.16 0.00 0.00 179.01 179.80 3iuk h GLY 421 N 1.45 0.76 0.97 -3.84 0.00 -1.34 -1.91 103.07 99.17 3iuk h GLY 421 Ca -0.06 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 3iuk h GLY 421 CO 0.15 0.51 -0.04 -0.25 0.00 0.00 0.00 176.54 176.91 3iuk h TRP 422 N 0.64 -0.10 -0.85 5.60 2.91 -1.22 -0.39 115.95 122.54 3iuk h TRP 422 Ca 0.11 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.19 3iuk h TRP 422 Cb 0.54 0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.18 3iuk h TRP 422 CO 0.03 -0.04 0.56 0.00 -1.03 0.00 0.00 178.44 177.96 3iuk h ALA 423 N 0.77 1.54 -0.27 2.65 0.00 -1.00 0.48 119.26 123.44 3iuk h ALA 423 Ca -0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3iuk h ALA 423 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3iuk h ALA 423 CO 0.02 0.34 -0.57 -0.07 0.00 0.00 0.00 179.25 178.98 3iuk h LEU 424 N 0.98 0.92 -0.86 0.00 4.07 -1.27 -1.93 115.31 117.22 3iuk h LEU 424 Ca 0.36 -0.50 0.07 0.00 0.08 0.00 0.00 57.88 57.88 3iuk h LEU 424 Cb 0.16 -0.27 -0.06 0.00 1.08 0.00 0.00 40.66 41.57 3iuk h LEU 424 CO -0.12 1.29 0.53 0.22 -1.08 0.00 0.00 178.44 179.28 3iuk h TYR 425 N 0.63 0.97 -0.74 1.13 3.20 -0.37 -0.77 116.97 121.01 3iuk h TYR 425 Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3iuk h TYR 425 Cb 1.17 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 3iuk h TYR 425 CO 0.07 0.48 0.44 0.00 -1.64 0.00 0.00 178.16 177.52 3iuk h ALA 426 N 1.41 0.95 -0.50 1.82 0.00 -0.77 0.26 119.26 122.44 3iuk h ALA 426 Ca 0.38 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3iuk h ALA 426 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iuk h ALA 426 CO -0.18 0.42 -0.07 0.93 0.00 0.00 0.00 179.25 180.35 3iuk h GLU 427 N 1.01 0.93 -0.42 0.00 5.08 -0.97 -3.02 114.58 117.20 3iuk h GLU 427 Ca 0.27 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3iuk h GLU 427 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3iuk h GLU 427 CO -0.05 0.98 0.20 0.37 -1.00 0.00 0.00 179.01 179.51 3iuk h GLN 428 N 0.79 0.61 -1.02 2.33 5.75 -0.68 -1.52 115.11 121.37 3iuk h GLN 428 Ca 0.13 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3iuk h GLN 428 Cb 0.61 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.05 3iuk h GLN 428 CO 0.04 0.54 0.00 -0.11 -2.65 0.00 0.00 178.83 176.65 3iuk n LEU 429 N -4.67 0.00 0.00 -2.39 7.94 0.89 -1.19 117.00 117.58 3iuk n LEU 429 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3iuk n LEU 429 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3iuk n LEU 429 CO 0.37 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.54 3iuk n LEU 431 N 0.69 0.00 0.25 -1.96 7.94 -0.57 -0.53 117.00 122.81 3iuk n LEU 431 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 3iuk n LEU 431 Cb 0.00 0.00 0.64 0.00 0.53 0.00 0.00 43.42 44.59 3iuk n LEU 431 CO 0.00 0.00 0.96 -0.33 -1.11 0.00 0.00 177.39 176.91 3iuk h GLU 432 N 0.00 0.00 -0.01 1.96 5.08 -1.43 -1.93 114.58 118.26 3iuk h GLU 432 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iuk h GLU 432 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iuk h GLU 432 CO 0.00 0.14 -0.04 1.28 -1.00 0.00 0.00 179.01 179.39 3iuk n LEU 433 N -4.00 0.62 0.00 1.33 4.77 0.31 -4.95 117.00 115.09 3iuk n LEU 433 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3iuk n LEU 433 Cb 0.22 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3iuk n LEU 433 CO 0.33 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3iuk n GLY 434 N 1.15 0.79 0.09 -0.72 0.00 -0.72 -4.98 105.19 100.80 3iuk n GLY 434 Ca 0.19 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3iuk n GLY 434 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iuk n TYR 435 N -2.36 0.00 -2.12 1.61 4.01 -1.26 -3.92 117.16 113.12 3iuk n TYR 435 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 3iuk n TYR 435 Cb 0.01 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 38.82 3iuk n TYR 435 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3iuk n LEU 436 N -1.10 4.82 0.09 7.72 4.77 -1.26 -4.76 117.00 127.28 3iuk n LEU 436 Ca 0.11 -4.80 -0.06 0.00 -0.03 0.00 0.00 56.01 51.23 3iuk n LEU 436 Cb 0.31 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3iuk n LEU 436 CO 0.27 2.11 0.36 0.11 -1.33 0.00 0.00 177.39 178.92 3iuk h LYS 437 N 2.26 0.15 -6.51 3.23 1.57 -1.93 -3.33 116.57 112.01 3iuk h LYS 437 Ca 0.35 -0.13 -0.54 0.00 -1.87 0.00 0.00 60.65 58.45 3iuk h LYS 437 Cb 1.42 0.03 0.04 0.00 0.08 0.00 0.00 32.23 33.81 3iuk h LYS 437 CO 0.77 0.83 1.05 -3.47 -0.57 0.00 0.00 179.45 178.05 3iuk n ASP 438 N -3.73 3.85 0.21 0.86 2.03 -1.26 -4.87 116.55 113.64 3iuk n ASP 438 Ca -0.02 1.01 0.05 0.00 0.52 0.00 0.00 54.79 56.35 3iuk n ASP 438 Cb 0.72 -1.52 0.51 0.00 -0.72 0.00 0.00 41.12 40.11 3iuk n ASP 438 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iuk h PRO 439 N 7.93 0.06 0.15 -0.67 0.13 -1.93 -0.57 132.00 137.10 3iuk h PRO 439 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iuk h PRO 439 Cb 1.23 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3iuk h PRO 439 CO 0.94 0.18 -0.15 0.78 -0.23 0.00 0.00 178.00 179.52 3iuk h GLY 440 N 0.47 -0.32 0.99 1.56 0.00 -1.93 -2.99 103.07 100.86 3iuk h GLY 440 Ca 0.01 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.53 3iuk h GLY 440 CO 0.02 -0.15 0.63 -0.55 0.00 0.00 0.00 176.54 176.48 3iuk h ASP 441 N -0.34 1.09 0.00 0.19 3.32 -1.45 -1.51 116.42 117.71 3iuk h ASP 441 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3iuk h ASP 441 Cb 0.32 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3iuk h ASP 441 CO -0.04 0.78 0.00 1.57 -1.72 0.00 0.00 179.24 179.83 3iuk n HIS 442 N -4.43 0.00 -0.79 4.55 -0.00 -0.31 -4.65 115.22 109.59 3iuk n HIS 442 Ca 0.11 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.25 3iuk n HIS 442 Cb 0.02 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 3iuk n HIS 442 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3iuk n GLY 444 N 0.65 -0.09 0.00 1.57 0.00 -0.57 -4.62 105.19 102.13 3iuk n GLY 444 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3iuk n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iuk n LEU 446 N -0.58 0.00 -0.10 0.99 4.77 -1.26 -2.48 117.00 118.34 3iuk n LEU 446 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3iuk n LEU 446 Cb 0.09 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3iuk n LEU 446 CO 0.00 0.00 0.89 0.44 -1.33 0.00 0.00 177.39 177.39 3iuk h ASP 447 N 0.00 -0.02 -0.08 -1.43 3.32 -1.96 0.16 116.42 116.41 3iuk h ASP 447 Ca 0.00 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 3iuk h ASP 447 Cb 0.00 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3iuk h ASP 447 CO 0.00 0.02 -0.37 1.23 -1.72 0.00 0.00 179.24 178.41 3iuk h GLY 448 N 0.17 0.64 0.96 2.75 0.00 -1.88 -2.88 103.07 102.82 3iuk h GLY 448 Ca 0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3iuk h GLY 448 CO -0.23 0.56 0.06 1.46 0.00 0.00 0.00 176.54 178.39 3iuk h GLN 449 N 0.49 0.75 -0.77 4.80 1.08 -1.76 -1.71 115.11 117.99 3iuk h GLN 449 Ca 0.05 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3iuk h GLN 449 Cb 0.86 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 3iuk h GLN 449 CO 0.07 0.78 0.00 -2.13 -0.95 0.00 0.00 178.83 176.60 3iuk n ARG 450 N -4.46 0.00 0.00 1.46 0.63 0.53 -0.40 116.66 114.43 3iuk n ARG 450 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3iuk n ARG 450 Cb 0.25 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.01 3iuk n ARG 450 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3iuk n ARG 452 N 0.67 0.00 -0.15 -0.14 1.74 -0.64 -0.74 116.66 117.40 3iuk n ARG 452 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3iuk n ARG 452 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3iuk n ARG 452 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iuk h ALA 453 N 0.00 0.58 -0.34 7.54 0.00 -0.99 -2.91 119.26 123.15 3iuk h ALA 453 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iuk h ALA 453 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3iuk h ALA 453 CO 0.00 0.43 0.21 0.00 0.00 0.00 0.00 179.25 179.89 3iuk h ALA 454 N 0.87 1.73 -0.81 0.00 0.00 -1.18 -1.59 119.26 118.28 3iuk h ALA 454 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iuk h ALA 454 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3iuk h ALA 454 CO 0.04 0.24 0.51 0.00 0.00 0.00 0.00 179.25 180.04 3iuk h ARG 455 N 0.46 1.08 -0.14 0.00 3.08 -1.77 -0.84 114.38 116.25 3iuk h ARG 455 Ca 0.12 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3iuk h ARG 455 Cb -0.03 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 3iuk h ARG 455 CO -0.02 0.74 0.03 0.28 -1.07 0.00 0.00 179.97 179.92 3iuk h VAL 456 N 1.11 1.21 0.08 2.04 2.07 -1.16 -1.24 116.25 120.35 3iuk h VAL 456 Ca 0.29 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3iuk h VAL 456 Cb -0.09 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3iuk h VAL 456 CO -0.06 0.19 -0.04 0.58 0.02 0.00 0.00 177.57 178.27 3iuk h VAL 457 N 0.02 0.98 -0.15 2.57 2.07 -1.32 -2.54 116.25 117.88 3iuk h VAL 457 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3iuk h VAL 457 Cb 0.27 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3iuk h VAL 457 CO 0.00 0.04 0.05 0.15 0.02 0.00 0.00 177.57 177.83 3iuk h PHE 458 N -0.18 0.24 -0.12 1.57 3.57 -1.18 -1.16 116.94 119.68 3iuk h PHE 458 Ca -0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3iuk h PHE 458 Cb 0.15 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 3iuk h PHE 458 CO -0.05 0.34 -0.12 0.22 -2.23 0.00 0.00 178.31 176.47 3iuk h ASP 459 N 0.06 0.31 -0.11 0.41 3.58 -1.11 -0.82 116.42 118.75 3iuk h ASP 459 Ca 0.05 -0.49 -0.06 0.00 0.42 0.00 0.00 57.03 56.95 3iuk h ASP 459 Cb 0.22 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 3iuk h ASP 459 CO -0.00 0.74 -0.16 0.40 -2.88 0.00 0.00 179.24 177.33 3iuk h ILE 460 N -0.11 1.38 -0.31 2.25 2.04 -1.57 -2.81 117.51 118.39 3iuk h ILE 460 Ca 0.02 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.52 3iuk h ILE 460 Cb 0.65 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 3iuk h ILE 460 CO 0.03 0.40 0.08 1.23 0.00 0.00 0.00 178.15 179.89 3iuk h GLY 461 N -0.12 0.37 0.53 5.37 0.00 -1.19 -0.82 103.07 107.21 3iuk h GLY 461 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3iuk h GLY 461 CO 0.04 0.01 -0.01 -2.08 0.00 0.00 0.00 176.54 174.50 3iuk h VAL 462 N 0.20 1.34 -0.11 4.60 2.07 -1.24 -0.61 116.25 122.51 3iuk h VAL 462 Ca 0.14 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 3iuk h VAL 462 Cb 0.13 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3iuk h VAL 462 CO -0.16 0.28 -0.30 0.45 0.02 0.00 0.00 177.57 177.85 3iuk h HIS 463 N -0.49 0.22 -0.10 1.57 -0.00 -1.52 -2.37 115.15 112.46 3iuk h HIS 463 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 3iuk h HIS 463 Cb 0.47 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3iuk h HIS 463 CO 0.09 0.48 0.00 1.28 -0.00 0.00 0.00 177.93 179.78 3iuk n LEU 464 N -4.13 2.55 -3.79 2.43 4.32 -0.31 -1.72 117.00 116.35 3iuk n LEU 464 Ca -0.01 -0.92 -0.26 0.00 -0.02 0.00 0.00 56.01 54.80 3iuk n LEU 464 Cb 0.39 -0.05 0.01 0.00 -1.62 0.00 0.00 43.42 42.15 3iuk n LEU 464 CO 0.40 0.46 -0.14 -0.62 -1.22 0.00 0.00 177.39 176.27 3iuk n GLU 465 N 0.96 -3.09 -2.16 3.23 1.02 -0.41 -4.96 120.64 115.24 3iuk n GLU 465 Ca 0.16 0.49 -0.27 0.00 -0.02 0.00 0.00 57.16 57.53 3iuk n GLU 465 Cb 0.51 -4.61 0.07 0.00 -0.02 0.00 0.00 31.44 27.39 3iuk n GLU 465 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3iuk s LEU 466 N -6.70 2.80 0.13 -4.62 1.43 -0.37 -4.63 118.68 106.72 3iuk s LEU 466 Ca 0.15 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 3iuk s LEU 466 Cb -0.05 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.89 3iuk s LEU 466 CO 0.86 -1.59 1.26 -2.84 0.23 0.00 0.00 176.35 174.26 3iuk s PRO 467 N -5.28 4.42 0.32 1.29 0.02 -1.26 -0.91 135.00 133.60 3iuk s PRO 467 Ca 0.60 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 63.24 3iuk s PRO 467 Cb -0.11 -3.27 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 3iuk s PRO 467 CO 0.46 -0.24 1.41 0.08 -0.33 0.00 0.00 177.00 178.38 3iuk s VAL 468 N 0.58 2.46 0.58 3.83 1.01 0.37 -4.83 120.40 124.40 3iuk s VAL 468 Ca 0.58 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.81 3iuk s VAL 468 Cb -0.33 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3iuk s VAL 468 CO 0.33 0.09 1.15 -2.84 0.00 0.00 0.00 175.10 173.84 3iuk s PRO 469 N -1.45 3.13 0.28 2.72 0.02 -1.26 -4.61 135.00 133.83 3iuk s PRO 469 Ca 0.54 1.65 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 3iuk s PRO 469 Cb -0.43 -1.97 0.59 0.00 0.02 0.00 0.00 34.50 32.71 3iuk s PRO 469 CO 0.53 -1.04 1.60 0.93 -0.33 0.00 0.00 177.00 178.69 3iuk h GLU 470 N 0.90 0.05 0.00 5.54 4.39 -1.95 -0.66 114.58 122.85 3iuk h GLU 470 Ca -0.50 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 3iuk h GLU 470 Cb 1.27 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3iuk h GLU 470 CO 0.56 0.03 -0.08 -0.09 -1.16 0.00 0.00 179.01 178.27 3iuk h ARG 471 N 0.05 0.00 -0.00 2.33 2.43 -2.04 -2.77 114.38 114.39 3iuk h ARG 471 Ca 0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.68 3iuk h ARG 471 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3iuk h ARG 471 CO -0.83 0.08 -0.43 0.91 -1.51 0.00 0.00 179.97 178.20 3iuk n TRP 472 N -4.26 0.00 -0.91 2.20 5.03 -0.47 -5.08 117.44 113.95 3iuk n TRP 472 Ca -0.03 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.50 3iuk n TRP 472 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.44 3iuk n TRP 472 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3iuk n GLY 473 N 1.19 0.02 3.22 6.99 0.00 -0.38 -4.91 105.19 111.32 3iuk n GLY 473 Ca 0.02 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 3iuk n GLY 473 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iuk s THR 474 N -3.63 0.16 0.00 2.61 -4.23 -1.26 -3.94 115.64 105.35 3iuk s THR 474 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3iuk s THR 474 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3iuk s THR 474 CO 0.00 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3iuk n GLY 475 N -0.29 1.09 3.79 3.99 0.00 -1.26 -4.63 105.19 107.87 3iuk n GLY 475 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3iuk n GLY 475 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iuk s THR 476 N 0.00 4.81 0.36 2.61 2.01 -1.26 -0.48 115.64 123.69 3iuk s THR 476 Ca 0.00 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.41 3iuk s THR 476 Cb 0.00 -3.18 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 3iuk s THR 476 CO 0.00 0.40 1.34 0.79 -0.69 0.00 0.00 174.62 176.46 3iuk n TRP 477 N 1.34 2.46 -4.29 4.92 7.02 -0.09 -4.76 117.44 124.04 3iuk n TRP 477 Ca -0.14 0.52 -0.16 0.00 -1.02 0.00 0.00 57.50 56.70 3iuk n TRP 477 Cb 0.53 -2.44 -0.10 0.00 -2.42 0.00 0.00 31.31 26.88 3iuk n TRP 477 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 3iuk s THR 478 N -1.12 1.25 0.29 -0.99 -4.23 -1.26 -4.78 115.64 104.81 3iuk s THR 478 Ca 0.56 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3iuk s THR 478 Cb -0.53 -2.03 0.27 0.00 1.34 0.00 0.00 72.50 71.55 3iuk s THR 478 CO 0.62 -0.60 1.93 -0.65 -0.54 0.00 0.00 174.62 175.38 3iuk h PRO 479 N 2.65 1.07 -0.47 3.99 0.11 -1.95 0.09 132.00 137.48 3iuk h PRO 479 Ca -0.37 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.69 3iuk h PRO 479 Cb 1.21 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 3iuk h PRO 479 CO 0.64 0.71 0.28 1.49 -0.21 0.00 0.00 178.00 180.91 3iuk h GLU 480 N 1.10 0.55 -0.81 1.05 4.81 -2.00 -0.24 114.58 119.05 3iuk h GLU 480 Ca 0.37 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3iuk h GLU 480 Cb 0.06 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3iuk h GLU 480 CO -0.12 0.37 0.38 0.87 -0.73 0.00 0.00 179.01 179.78 3iuk h LYS 481 N 0.57 1.16 -0.98 1.92 1.57 -1.83 -2.93 116.57 116.05 3iuk h LYS 481 Ca 0.19 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3iuk h LYS 481 Cb 0.01 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.05 3iuk h LYS 481 CO -0.08 0.90 0.64 0.78 -0.57 0.00 0.00 179.45 181.12 3iuk h GLY 482 N 1.17 1.43 0.86 3.86 0.00 -0.39 -1.34 103.07 108.66 3iuk h GLY 482 Ca 0.28 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3iuk h GLY 482 CO -0.03 0.42 0.05 -2.75 0.00 0.00 0.00 176.54 174.22 3iuk h PHE 483 N 1.24 0.37 -0.77 5.60 3.57 -0.88 -0.53 116.94 125.54 3iuk h PHE 483 Ca 0.39 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 3iuk h PHE 483 Cb 0.01 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 3iuk h PHE 483 CO -0.00 0.47 0.47 -0.44 -2.23 0.00 0.00 178.31 176.58 3iuk h ASP 484 N 0.17 0.92 -0.46 0.41 3.32 -1.41 -0.22 116.42 119.14 3iuk h ASP 484 Ca 0.07 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.10 3iuk h ASP 484 Cb 0.29 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3iuk h ASP 484 CO 0.00 0.70 0.26 0.15 -1.72 0.00 0.00 179.24 178.63 3iuk h PHE 485 N 1.06 0.48 -0.42 4.55 3.57 -0.96 -2.34 116.94 122.88 3iuk h PHE 485 Ca 0.28 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 3iuk h PHE 485 Cb -0.05 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3iuk h PHE 485 CO 0.00 0.27 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.11 3iuk h LEU 486 N 0.52 0.81 -1.41 0.59 3.38 -0.49 -2.36 115.31 116.34 3iuk h LEU 486 Ca 0.19 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3iuk h LEU 486 Cb 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3iuk h LEU 486 CO -0.11 0.97 0.45 0.50 0.09 0.00 0.00 178.44 180.34 3iuk h LYS 487 N 0.72 0.72 0.00 1.13 3.64 -0.85 0.17 116.57 122.09 3iuk h LYS 487 Ca 0.11 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3iuk h LYS 487 Cb 0.67 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3iuk h LYS 487 CO 0.05 0.47 -0.39 0.00 -2.27 0.00 0.00 179.45 177.31 3iuk h ALA 488 N 1.62 0.83 0.00 5.00 0.00 -0.91 -3.35 119.26 122.45 3iuk h ALA 488 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iuk h ALA 488 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iuk h ALA 488 CO -0.09 0.49 -1.10 0.09 0.00 0.00 0.00 179.25 178.65 3iuk n ASN 489 N -3.32 2.01 -4.33 0.00 3.02 -0.64 -4.95 115.26 107.05 3iuk n ASN 489 Ca 0.01 -0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 53.98 3iuk n ASN 489 Cb 0.61 1.29 -0.14 0.00 -0.61 0.00 0.00 39.78 40.93 3iuk n ASN 489 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iuk s LEU 490 N -3.25 2.71 -1.12 3.41 1.43 0.49 -4.98 118.68 117.38 3iuk s LEU 490 Ca -0.01 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3iuk s LEU 490 Cb 0.06 -1.63 0.27 0.00 0.03 0.00 0.00 46.19 44.92 3iuk s LEU 490 CO 0.39 0.10 1.14 -0.62 0.23 0.00 0.00 176.35 177.59 3iuk s ASP 491 N 0.73 7.32 0.24 2.29 -1.08 -1.26 -4.77 116.67 120.14 3iuk s ASP 491 Ca -0.05 -3.58 -0.01 0.00 -0.52 0.00 0.00 52.55 48.39 3iuk s ASP 491 Cb -0.15 -2.22 -0.03 0.00 -1.46 0.00 0.00 42.92 39.06 3iuk s ASP 491 CO 0.02 -0.31 0.23 0.27 0.52 0.00 0.00 175.17 175.89 3iuk s ILE 492 N -1.12 0.00 0.92 4.11 -4.36 -1.26 -5.16 121.20 114.33 3iuk s ILE 492 Ca 0.32 -1.89 -0.10 0.00 -0.26 0.00 0.00 60.65 58.71 3iuk s ILE 492 Cb -0.10 -2.47 0.15 0.00 1.25 0.00 0.00 42.46 41.29 3iuk s ILE 492 CO -0.08 0.00 1.13 -0.94 0.24 0.00 0.00 174.94 175.29 3iuk s SER 493 N -3.18 2.94 0.25 4.36 1.04 -1.26 -4.75 113.70 113.10 3iuk s SER 493 Ca 0.36 2.05 -0.05 0.00 0.48 0.00 0.00 55.95 58.80 3iuk s SER 493 Cb 0.05 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.97 3iuk s SER 493 CO 0.15 -3.07 1.89 -0.08 0.98 0.00 0.00 173.24 173.11 3iuk h GLU 494 N -1.85 1.15 0.17 4.02 4.81 -2.00 0.67 114.58 121.55 3iuk h GLU 494 Ca -0.45 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 3iuk h GLU 494 Cb 1.27 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3iuk h GLU 494 CO 0.44 0.76 -0.21 0.78 -0.73 0.00 0.00 179.01 180.05 3iuk h GLY 495 N 1.18 -0.43 1.66 1.92 0.00 -2.00 -1.41 103.07 104.00 3iuk h GLY 495 Ca 0.39 0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.85 3iuk h GLY 495 CO -0.14 -0.20 -0.42 1.46 0.00 0.00 0.00 176.54 177.24 3iuk h GLN 496 N -0.43 0.37 -0.18 4.80 1.08 -1.85 -1.93 115.11 116.97 3iuk h GLN 496 Ca 0.01 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3iuk h GLN 496 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3iuk h GLN 496 CO -0.08 0.73 0.09 1.25 -0.95 0.00 0.00 178.83 179.86 3iuk h LEU 497 N 0.31 0.24 -1.05 1.46 6.46 -0.63 0.46 115.31 122.55 3iuk h LEU 497 Ca 0.03 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3iuk h LEU 497 Cb 0.87 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.70 3iuk h LEU 497 CO 0.07 0.30 0.58 1.56 -0.62 0.00 0.00 178.44 180.33 3iuk h GLN 498 N 0.16 1.23 -0.26 1.25 1.08 -1.01 -0.64 115.11 116.92 3iuk h GLN 498 Ca 0.06 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3iuk h GLN 498 Cb 0.12 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 3iuk h GLN 498 CO -0.01 0.83 0.04 0.35 -0.95 0.00 0.00 178.83 179.09 3iuk h PHE 499 N 1.25 0.46 -0.33 2.96 3.57 -0.89 -2.31 116.94 121.65 3iuk h PHE 499 Ca 0.33 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3iuk h PHE 499 Cb -0.10 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3iuk h PHE 499 CO 0.00 0.55 0.22 0.93 -2.23 0.00 0.00 178.31 177.78 3iuk h GLU 500 N 0.24 0.44 -0.49 1.11 4.39 -0.64 0.59 114.58 120.21 3iuk h GLU 500 Ca 0.08 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.83 3iuk h GLU 500 Cb 0.33 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 3iuk h GLU 500 CO 0.01 0.29 0.12 0.35 -1.16 0.00 0.00 179.01 178.62 3iuk h PHE 501 N 0.45 0.21 -0.34 4.33 3.57 -1.10 -1.06 116.94 123.00 3iuk h PHE 501 Ca 0.12 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 3iuk h PHE 501 Cb -0.05 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3iuk h PHE 501 CO -0.05 0.03 -0.34 1.15 -2.23 0.00 0.00 178.31 176.87 3iuk h THR 502 N 0.27 1.28 0.12 4.41 2.02 -1.19 -2.38 112.91 117.44 3iuk h THR 502 Ca 0.24 -1.49 0.01 0.00 0.77 0.00 0.00 66.41 65.94 3iuk h THR 502 Cb 0.31 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3iuk h THR 502 CO -0.30 0.49 -0.15 -0.09 0.37 0.00 0.00 175.52 175.84 3iuk h ARG 503 N 0.63 -0.30 -0.37 6.66 2.43 -0.43 -1.57 114.38 121.43 3iuk h ARG 503 Ca 0.07 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3iuk h ARG 503 Cb 0.87 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3iuk h ARG 503 CO 0.08 -0.20 -0.14 1.88 -1.51 0.00 0.00 179.97 180.08 3iuk h TYR 504 N -0.31 0.72 -0.58 2.20 0.05 -0.94 0.91 116.97 119.02 3iuk h TYR 504 Ca 0.01 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.59 3iuk h TYR 504 Cb 0.31 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3iuk h TYR 504 CO -0.15 0.76 0.06 -0.07 -1.05 0.00 0.00 178.16 177.72 3iuk h LEU 505 N 0.60 0.91 0.00 3.88 3.38 -1.34 -3.27 115.31 119.48 3iuk h LEU 505 Ca 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3iuk h LEU 505 Cb 0.58 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iuk h LEU 505 CO 0.04 0.94 -1.02 0.61 0.09 0.00 0.00 178.44 179.10 3iuk n GLY 506 N -0.62 -1.34 2.62 0.83 0.00 -0.60 -4.43 105.19 101.64 3iuk n GLY 506 Ca 0.04 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3iuk n GLY 506 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3iuk n TRP 507 N -2.32 2.68 -1.63 1.61 -0.00 0.28 -4.68 117.44 113.37 3iuk n TRP 507 Ca 0.01 -3.94 -0.37 0.00 -0.00 0.00 0.00 57.50 53.20 3iuk n TRP 507 Cb 0.50 -0.47 0.07 0.00 -0.00 0.00 0.00 31.31 31.41 3iuk n TRP 507 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3iuk n PRO 508 N 0.14 0.94 0.00 5.87 -0.04 -1.24 -3.21 135.00 137.46 3iuk n PRO 508 Ca 0.29 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3iuk n PRO 508 Cb 0.47 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3iuk n PRO 508 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iuk n GLY 509 N 1.02 3.08 0.15 0.55 0.00 -1.26 -4.54 105.19 104.18 3iuk n GLY 509 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3iuk n GLY 509 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iuk h GLN 510 N 1.11 0.50 -0.75 1.61 -0.00 -1.84 -3.36 115.11 112.37 3iuk h GLN 510 Ca 0.00 -0.65 0.06 0.00 -0.00 0.00 0.00 58.65 58.06 3iuk h GLN 510 Cb 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 27.48 27.63 3iuk h GLN 510 CO 0.00 1.27 0.44 0.00 0.00 0.00 0.00 178.83 180.54 3iuk h ALA 511 N 0.26 1.03 0.00 3.38 0.00 -1.90 -1.64 119.26 120.39 3iuk h ALA 511 Ca -0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iuk h ALA 511 Cb 1.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3iuk h ALA 511 CO 0.18 0.13 0.00 -2.30 0.00 0.00 0.00 179.25 177.26 3iuk n PRO 512 N -4.73 0.04 0.23 0.00 -0.02 -1.26 -3.95 135.00 125.31 3iuk n PRO 512 Ca 0.10 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.90 3iuk n PRO 512 Cb 0.19 -1.56 0.55 0.00 -0.02 0.00 0.00 33.50 32.66 3iuk n PRO 512 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iuk h SER 513 N 0.00 0.00 0.29 2.55 4.64 -1.45 0.30 113.55 119.88 3iuk h SER 513 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3iuk h SER 513 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3iuk h SER 513 CO 0.00 0.20 -0.14 1.88 -0.87 0.00 0.00 176.83 177.90 3iuk h TYR 514 N 0.00 -0.36 -0.26 4.77 0.05 -1.76 0.70 116.97 120.11 3iuk h TYR 514 Ca -0.00 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 3iuk h TYR 514 Cb 0.42 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 3iuk h TYR 514 CO 0.00 -0.23 -0.35 0.87 -1.05 0.00 0.00 178.16 177.40 3iuk h LYS 515 N -0.42 0.57 -0.43 4.88 1.79 -1.77 -1.31 116.57 119.87 3iuk h LYS 515 Ca -0.04 -0.27 -0.11 0.00 -2.18 0.00 0.00 60.65 58.05 3iuk h LYS 515 Cb 0.30 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3iuk h LYS 515 CO 0.07 0.84 -0.17 0.28 -1.08 0.00 0.00 179.45 179.39 3iuk h VAL 516 N 0.48 1.28 -0.62 0.50 2.07 -1.06 -0.10 116.25 118.80 3iuk h VAL 516 Ca 0.05 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.35 3iuk h VAL 516 Cb 0.84 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 3iuk h VAL 516 CO 0.07 0.44 0.28 1.23 0.02 0.00 0.00 177.57 179.61 3iuk h GLY 517 N 0.70 0.89 0.80 2.17 0.00 -0.64 -1.61 103.07 105.38 3iuk h GLY 517 Ca 0.10 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3iuk h GLY 517 CO 0.05 0.04 0.06 -1.61 0.00 0.00 0.00 176.54 175.09 3iuk h GLN 518 N 0.50 0.15 -0.56 4.80 4.15 -0.96 -1.46 115.11 121.73 3iuk h GLN 518 Ca 0.30 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.81 3iuk h GLN 518 Cb 0.31 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 3iuk h GLN 518 CO -0.26 0.10 0.15 -0.09 -1.93 0.00 0.00 178.83 176.81 3iuk h ARG 519 N 0.16 0.30 -0.03 1.69 2.43 -0.40 -0.50 114.38 118.03 3iuk h ARG 519 Ca 0.10 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.03 3iuk h ARG 519 Cb 0.08 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3iuk h ARG 519 CO -0.11 0.20 -0.87 -0.07 -1.51 0.00 0.00 179.97 177.60 3iuk h LEU 520 N 0.31 0.57 -0.57 3.80 3.38 -1.01 0.28 115.31 122.07 3iuk h LEU 520 Ca 0.28 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3iuk h LEU 520 Cb 0.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3iuk h LEU 520 CO -0.33 1.21 0.30 -0.50 0.09 0.00 0.00 178.44 179.21 3iuk h TRP 521 N 0.28 0.79 -0.26 1.13 4.06 -0.98 -2.00 115.95 118.97 3iuk h TRP 521 Ca -0.07 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.77 3iuk h TRP 521 Cb 1.49 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 3iuk h TRP 521 CO 0.06 0.58 -0.24 0.93 -3.56 0.00 0.00 178.44 176.22 3iuk h GLU 522 N 0.77 0.48 -0.43 0.49 5.08 -0.67 -2.47 114.58 117.83 3iuk h GLU 522 Ca 0.20 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3iuk h GLU 522 Cb 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3iuk h GLU 522 CO -0.03 0.69 0.20 1.96 -1.00 0.00 0.00 179.01 180.83 3iuk h GLN 523 N 0.43 0.62 -0.32 2.33 4.20 -0.66 -0.83 115.11 120.88 3iuk h GLN 523 Ca 0.06 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.69 3iuk h GLN 523 Cb 0.65 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3iuk h GLN 523 CO 0.05 0.54 0.19 0.82 -0.67 0.00 0.00 178.83 179.76 3iuk h ILE 524 N 0.55 1.05 -0.62 2.54 2.04 -1.13 -1.19 117.51 120.75 3iuk h ILE 524 Ca 0.15 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3iuk h ILE 524 Cb 0.13 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3iuk h ILE 524 CO -0.02 0.07 0.27 -0.09 0.00 0.00 0.00 178.15 178.38 3iuk h ARG 525 N 0.39 0.91 -0.83 2.37 2.43 -1.30 -1.88 114.38 116.48 3iuk h ARG 525 Ca 0.12 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3iuk h ARG 525 Cb -0.01 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3iuk h ARG 525 CO -0.05 0.76 0.38 0.00 -1.51 0.00 0.00 179.97 179.55 3iuk h ALA 526 N 1.11 1.10 -0.44 2.80 0.00 -0.95 0.39 119.26 123.27 3iuk h ALA 526 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3iuk h ALA 526 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3iuk h ALA 526 CO -0.02 0.66 -0.02 1.49 0.00 0.00 0.00 179.25 181.36 3iuk h GLU 527 N 1.19 0.79 -0.07 0.00 4.57 -0.93 -2.89 114.58 117.24 3iuk h GLU 527 Ca 0.28 -0.26 -0.16 0.00 -1.18 0.00 0.00 59.36 58.05 3iuk h GLU 527 Cb 0.15 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3iuk h GLU 527 CO -0.03 0.87 -0.64 -0.07 -1.18 0.00 0.00 179.01 177.96 3iuk h LEU 528 N 0.62 0.31 -1.99 1.64 3.38 -0.66 -2.54 115.31 116.06 3iuk h LEU 528 Ca 0.12 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3iuk h LEU 528 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3iuk h LEU 528 CO 0.03 0.86 0.13 -0.33 0.09 0.00 0.00 178.44 179.22 3iuk h GLU 529 N 0.19 0.01 0.00 1.13 5.08 -0.15 -2.12 114.58 118.73 3iuk h GLU 529 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3iuk h GLU 529 Cb 1.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3iuk h GLU 529 CO 0.10 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 176.99 3iuk n SER 530 N -4.49 0.00 -4.92 1.42 3.41 -0.96 -4.82 113.62 103.27 3iuk n SER 530 Ca 0.01 0.40 -0.31 0.00 -0.26 0.00 0.00 58.87 58.72 3iuk n SER 530 Cb 0.26 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 3iuk n SER 530 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iuk s ARG 531 N -2.91 3.43 0.09 4.33 0.52 -0.80 -5.05 118.95 118.57 3iuk s ARG 531 Ca 0.10 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 3iuk s ARG 531 Cb 0.11 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 3iuk s ARG 531 CO 0.29 0.60 1.30 1.05 0.02 0.00 0.00 175.30 178.56 3iuk h GLU 532 N 3.03 -0.00 -0.81 3.54 -0.00 -1.87 -2.96 114.58 115.50 3iuk h GLU 532 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 58.88 3iuk h GLU 532 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.89 3iuk h GLU 532 CO 0.75 -0.00 0.04 0.41 -0.00 0.00 0.00 179.01 180.21 3iuk n GLY 533 N -1.14 2.38 3.63 1.06 0.00 -1.26 -4.99 105.19 104.87 3iuk n GLY 533 Ca 0.01 -0.48 -0.48 0.00 0.00 0.00 0.00 46.02 45.08 3iuk n GLY 533 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iuk n PHE 534 N 0.24 1.87 -3.82 1.61 7.35 -1.12 -4.97 117.46 118.61 3iuk n PHE 534 Ca 0.16 0.48 -0.25 0.00 -0.76 0.00 0.00 57.45 57.09 3iuk n PHE 534 Cb 0.78 -2.42 -0.17 0.00 0.35 0.00 0.00 39.48 38.02 3iuk n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3iuk s ASP 535 N 0.45 1.97 0.14 -2.13 -1.08 -1.26 -5.04 116.67 109.72 3iuk s ASP 535 Ca 0.76 -0.26 -0.16 0.00 -0.52 0.00 0.00 52.55 52.37 3iuk s ASP 535 Cb -0.77 -0.61 0.00 0.00 -1.46 0.00 0.00 42.92 40.08 3iuk s ASP 535 CO 0.46 -0.18 1.74 0.25 0.52 0.00 0.00 175.17 177.96 3iuk h LEU 536 N 8.26 0.50 -0.82 -1.34 5.85 -1.93 -1.39 115.31 124.44 3iuk h LEU 536 Ca -0.23 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 3iuk h LEU 536 Cb 1.13 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3iuk h LEU 536 CO 0.32 0.46 0.04 0.50 -0.34 0.00 0.00 178.44 179.42 3iuk h LYS 537 N 0.51 0.93 -0.71 1.25 3.64 -1.79 -0.59 116.57 119.82 3iuk h LYS 537 Ca 0.14 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3iuk h LYS 537 Cb 0.07 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3iuk h LYS 537 CO -0.02 0.90 0.38 0.77 -2.27 0.00 0.00 179.45 179.20 3iuk h SER 538 N 0.87 0.89 -0.09 4.20 0.02 -1.83 -1.25 113.55 116.36 3iuk h SER 538 Ca 0.17 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3iuk h SER 538 Cb 0.45 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3iuk h SER 538 CO 0.02 0.75 0.05 0.15 -1.14 0.00 0.00 176.83 176.65 3iuk h PHE 539 N 0.98 0.13 -0.52 3.45 3.57 -0.89 -0.65 116.94 123.00 3iuk h PHE 539 Ca 0.25 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3iuk h PHE 539 Cb 0.06 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3iuk h PHE 539 CO -0.00 0.16 0.30 0.45 -2.23 0.00 0.00 178.31 176.99 3iuk h HIS 540 N 0.06 0.57 -0.11 0.41 3.86 -0.96 -0.49 115.15 118.49 3iuk h HIS 540 Ca 0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3iuk h HIS 540 Cb 0.07 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3iuk h HIS 540 CO -0.05 0.32 0.05 0.77 0.86 0.00 0.00 177.93 179.88 3iuk h SER 541 N 0.60 0.15 -0.72 2.45 0.02 -1.17 0.90 113.55 115.78 3iuk h SER 541 Ca 0.21 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3iuk h SER 541 Cb 0.04 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3iuk h SER 541 CO -0.10 0.25 0.47 0.50 -1.14 0.00 0.00 176.83 176.81 3iuk h LYS 542 N 0.04 0.90 0.01 3.45 3.64 -0.89 -0.06 116.57 123.66 3iuk h LYS 542 Ca 0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3iuk h LYS 542 Cb 0.15 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3iuk h LYS 542 CO -0.00 0.60 -0.00 0.00 -2.27 0.00 0.00 179.45 177.77 3iuk h ALA 543 N 1.29 -0.01 0.00 5.00 0.00 -0.93 -3.21 119.26 121.40 3iuk h ALA 543 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3iuk h ALA 543 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iuk h ALA 543 CO -0.09 -0.33 -0.31 -0.07 0.00 0.00 0.00 179.25 178.45 3iuk h LEU 544 N -0.36 0.00 -2.19 0.00 3.38 -0.58 -2.72 115.31 112.84 3iuk h LEU 544 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iuk h LEU 544 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3iuk h LEU 544 CO 0.00 0.31 -0.02 0.78 0.09 0.00 0.00 178.44 179.60 3iuk h ASN 545 N 0.00 0.00 0.78 -0.43 2.35 -1.00 -2.90 115.58 114.37 3iuk h ASN 545 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3iuk h ASN 545 Cb 0.82 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3iuk h ASN 545 CO 0.04 0.02 -0.39 0.40 -1.65 0.00 0.00 177.43 175.85 3iuk h ILE 546 N 0.00 0.94 -0.61 2.81 2.04 -1.55 -3.46 117.51 117.68 3iuk h ILE 546 Ca -0.00 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.34 3iuk h ILE 546 Cb 0.27 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3iuk h ILE 546 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.14 3iuk n GLY 547 N 0.15 -1.24 3.62 5.37 0.00 -1.09 -4.82 105.19 107.18 3iuk n GLY 547 Ca -0.00 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 3iuk n GLY 547 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iuk s SER 548 N -4.00 6.50 0.19 1.61 0.15 -1.26 -4.98 113.70 111.90 3iuk s SER 548 Ca 0.00 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 57.72 3iuk s SER 548 Cb 0.00 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3iuk s SER 548 CO 0.00 -1.25 0.19 0.68 1.20 0.00 0.00 173.24 174.07 3iuk s VAL 549 N 4.91 0.03 0.62 4.45 -7.23 -1.26 -4.44 120.40 117.48 3iuk s VAL 549 Ca 0.60 -1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 58.81 3iuk s VAL 549 Cb -0.16 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 3iuk s VAL 549 CO 0.28 -0.13 1.08 -0.83 -0.31 0.00 0.00 175.10 175.18 3iuk s GLY 550 N -3.09 2.14 0.45 2.32 0.00 -1.26 -4.60 107.32 103.28 3iuk s GLY 550 Ca 0.30 0.46 0.13 0.00 0.00 0.00 0.00 44.72 45.61 3iuk s GLY 550 CO 0.08 0.79 2.03 1.41 0.00 0.00 0.00 173.10 177.41 3iuk h LEU 551 N 0.27 0.13 -0.34 0.66 -0.00 -1.14 -0.56 115.31 114.33 3iuk h LEU 551 Ca -0.47 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.37 3iuk h LEU 551 Cb 1.23 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 3iuk h LEU 551 CO 0.56 0.20 0.09 0.44 -0.00 0.00 0.00 178.44 179.73 3iuk h ASP 552 N 0.14 0.50 -0.68 -0.43 3.32 -1.47 -1.58 116.42 116.22 3iuk h ASP 552 Ca 0.03 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3iuk h ASP 552 Cb 0.18 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3iuk h ASP 552 CO 0.01 0.60 0.36 0.58 -1.72 0.00 0.00 179.24 179.07 3iuk h VAL 553 N 0.39 1.21 -0.60 -1.35 2.07 -1.46 -1.35 116.25 115.16 3iuk h VAL 553 Ca 0.11 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3iuk h VAL 553 Cb 0.29 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3iuk h VAL 553 CO -0.00 0.24 0.34 0.25 0.02 0.00 0.00 177.57 178.41 3iuk h LEU 554 N 0.93 0.75 0.11 2.57 5.85 -1.05 0.16 115.31 124.63 3iuk h LEU 554 Ca 0.24 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3iuk h LEU 554 Cb 0.06 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3iuk h LEU 554 CO -0.04 0.62 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.54 3iuk h ARG 555 N 0.81 -0.14 -0.34 1.25 2.43 -1.04 -2.17 114.38 115.17 3iuk h ARG 555 Ca 0.21 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 3iuk h ARG 555 Cb 0.03 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3iuk h ARG 555 CO -0.04 -0.02 0.24 0.00 -1.51 0.00 0.00 179.97 178.64 3iuk h ARG 556 N -0.24 0.20 0.00 0.20 3.08 -0.99 0.12 114.38 116.75 3iuk h ARG 556 Ca -0.02 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3iuk h ARG 556 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3iuk h ARG 556 CO 0.02 0.13 -0.23 0.00 -1.07 0.00 0.00 179.97 178.83 3iuk h ALA 557 N 1.82 0.93 0.00 0.04 0.00 -0.58 -3.34 119.26 118.12 3iuk h ALA 557 Ca 0.15 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3iuk h ALA 557 Cb 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3iuk h ALA 557 CO -0.03 0.29 -1.93 1.28 0.00 0.00 0.00 179.25 178.86 3iuk n LEU 558 N -3.27 0.00 -0.46 0.00 4.77 -0.74 -5.09 117.00 112.22 3iuk n LEU 558 Ca 0.01 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3iuk n LEU 558 Cb 0.51 0.25 0.55 0.00 -2.33 0.00 0.00 43.42 42.40 3iuk n LEU 558 CO 0.35 0.25 0.88 0.18 -1.33 0.00 0.00 177.39 177.72