#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5at1 s ASN 2 N 0.00 4.89 0.50 0.00 2.20 0.99 -4.97 114.94 118.55 5at1 s ASN 2 Ca 0.00 1.44 0.29 0.00 -0.94 0.00 0.00 52.86 53.65 5at1 s ASN 2 Cb 0.00 -2.24 0.93 0.00 -2.00 0.00 0.00 41.25 37.95 5at1 s ASN 2 CO 0.00 -1.74 1.82 1.55 -2.94 0.00 0.00 177.10 175.80 5at1 h PRO 3 N -0.92 0.00 -0.31 3.55 0.13 -1.94 -2.37 132.00 130.14 5at1 h PRO 3 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 5at1 h PRO 3 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 5at1 h PRO 3 CO 0.58 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 5at1 n LEU 4 N -3.12 2.72 -4.68 1.56 4.77 -1.26 -4.88 117.00 112.11 5at1 n LEU 4 Ca 0.02 -1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 54.40 5at1 n LEU 4 Cb 0.41 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 5at1 n LEU 4 CO 0.30 0.59 1.32 -0.47 -1.33 0.00 0.00 177.39 177.80 5at1 s TYR 5 N -1.60 2.26 -0.52 -1.77 6.14 -0.90 -1.41 117.35 119.55 5at1 s TYR 5 Ca 0.36 0.32 0.00 0.00 0.64 0.00 0.00 57.07 58.38 5at1 s TYR 5 Cb 0.20 -3.91 0.00 0.00 0.42 0.00 0.00 41.96 38.68 5at1 s TYR 5 CO 0.29 -3.70 0.00 1.04 0.64 0.00 0.00 175.55 173.82 5at1 n GLN 6 N 6.27 -0.87 -2.93 4.97 1.13 0.56 -4.97 117.38 121.54 5at1 n GLN 6 Ca 0.16 0.54 -0.32 0.00 -1.94 0.00 0.00 57.00 55.44 5at1 n GLN 6 Cb 0.42 -4.38 -0.06 0.00 0.11 0.00 0.00 30.24 26.33 5at1 n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 5at1 s LYS 7 N -1.88 4.04 -0.16 -1.09 -0.14 -0.50 -4.76 119.74 115.24 5at1 s LYS 7 Ca 0.00 0.81 -0.22 0.00 -1.36 0.00 0.00 55.97 55.20 5at1 s LYS 7 Cb 0.00 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 5at1 s LYS 7 CO 0.00 0.03 0.66 -1.01 -0.76 0.00 0.00 175.35 174.27 5at1 s HIS 8 N -2.16 3.43 -0.59 3.18 3.76 -1.26 -4.56 115.29 117.09 5at1 s HIS 8 Ca 0.57 1.04 -0.13 0.00 -0.15 0.00 0.00 55.06 56.39 5at1 s HIS 8 Cb -0.10 -2.81 0.15 0.00 1.11 0.00 0.00 32.58 30.93 5at1 s HIS 8 CO 0.19 -0.10 0.52 0.42 -0.85 0.00 0.00 174.74 174.92 5at1 s ILE 9 N 1.61 4.97 -0.09 0.60 1.09 -0.32 -4.87 121.20 124.19 5at1 s ILE 9 Ca 0.32 -1.88 0.03 0.00 -1.10 0.00 0.00 60.65 58.01 5at1 s ILE 9 Cb -0.16 -4.17 -0.07 0.00 -1.06 0.00 0.00 42.46 36.99 5at1 s ILE 9 CO 0.12 -0.88 -0.05 -0.38 -0.10 0.00 0.00 174.94 173.65 5at1 n ILE 10 N 4.77 0.55 -3.94 2.92 5.41 -1.26 -1.02 119.36 126.79 5at1 n ILE 10 Ca -0.05 -0.25 -0.09 0.00 1.00 0.00 0.00 62.75 63.36 5at1 n ILE 10 Cb 0.42 -0.83 -0.09 0.00 -0.71 0.00 0.00 39.64 38.42 5at1 n ILE 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 5at1 s SER 11 N -4.65 0.22 0.35 4.38 0.15 -1.26 -4.57 113.70 108.31 5at1 s SER 11 Ca -0.10 -0.63 0.12 0.00 0.70 0.00 0.00 55.95 56.03 5at1 s SER 11 Cb 0.03 0.24 0.63 0.00 -1.71 0.00 0.00 66.02 65.21 5at1 s SER 11 CO 0.25 -0.56 1.77 0.40 1.20 0.00 0.00 173.24 176.31 5at1 h ILE 12 N 3.43 1.31 0.00 6.45 1.08 -1.95 -3.13 117.51 124.71 5at1 h ILE 12 Ca -0.33 -1.49 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 5at1 h ILE 12 Cb 1.18 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 5at1 h ILE 12 CO 0.54 0.42 0.00 0.78 -0.69 0.00 0.00 178.15 179.20 5at1 h ASN 13 N 0.00 0.00 1.83 1.72 2.35 -1.97 -1.47 115.58 118.05 5at1 h ASN 13 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 5at1 h ASN 13 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 5at1 h ASN 13 CO 0.06 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 176.28 5at1 h ASP 14 N 0.00 0.00 -2.86 5.81 3.32 -1.97 -3.45 116.42 117.27 5at1 h ASP 14 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 5at1 h ASP 14 Cb 0.52 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.97 5at1 h ASP 14 CO 0.00 0.00 -0.53 -0.76 -1.72 0.00 0.00 179.24 176.23 5at1 s LEU 15 N -6.03 4.13 0.79 1.55 1.43 -0.55 -5.07 118.68 114.92 5at1 s LEU 15 Ca 0.07 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 5at1 s LEU 15 Cb 0.06 -1.99 0.13 0.00 0.03 0.00 0.00 46.19 44.42 5at1 s LEU 15 CO 0.65 0.40 1.10 -0.94 0.23 0.00 0.00 176.35 177.79 5at1 s SER 16 N -0.98 4.10 0.30 2.29 1.04 -1.26 -4.88 113.70 114.31 5at1 s SER 16 Ca 0.14 0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 5at1 s SER 16 Cb -0.12 -0.44 0.46 0.00 0.10 0.00 0.00 66.02 66.03 5at1 s SER 16 CO 0.03 -2.05 1.89 -0.09 0.98 0.00 0.00 173.24 174.00 5at1 h ARG 17 N -0.89 0.87 -0.02 4.02 2.43 -1.98 -0.30 114.38 118.50 5at1 h ARG 17 Ca -0.41 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 5at1 h ARG 17 Cb 1.27 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 5at1 h ARG 17 CO 0.45 0.70 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.97 5at1 h ASP 18 N 0.86 0.21 -0.64 -3.80 3.32 -1.98 0.16 116.42 114.56 5at1 h ASP 18 Ca 0.21 -0.72 0.12 0.00 0.02 0.00 0.00 57.03 56.66 5at1 h ASP 18 Cb 0.14 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 5at1 h ASP 18 CO -0.02 0.90 0.14 0.44 -1.72 0.00 0.00 179.24 178.97 5at1 h ASP 19 N -0.46 -0.00 -0.94 6.45 3.45 -1.91 0.35 116.42 123.36 5at1 h ASP 19 Ca -0.02 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.56 5at1 h ASP 19 Cb 0.91 0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.80 5at1 h ASP 19 CO 0.04 -0.00 0.60 -0.07 -1.57 0.00 0.00 179.24 178.24 5at1 h LEU 20 N 0.26 1.11 -0.81 1.55 3.38 -0.61 -1.10 115.31 119.09 5at1 h LEU 20 Ca 0.34 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 5at1 h LEU 20 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 5at1 h LEU 20 CO -0.43 0.82 -0.28 0.78 0.09 0.00 0.00 178.44 179.42 5at1 h ASN 21 N 1.29 0.00 -0.08 -0.43 2.35 0.51 -2.37 115.58 116.85 5at1 h ASN 21 Ca 0.34 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.05 5at1 h ASN 21 Cb -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 5at1 h ASN 21 CO -0.07 0.28 -0.12 0.25 -1.65 0.00 0.00 177.43 176.12 5at1 h LEU 22 N 0.00 0.24 -0.72 1.61 5.85 0.87 -1.26 115.31 121.90 5at1 h LEU 22 Ca -0.00 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 5at1 h LEU 22 Cb 0.90 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 5at1 h LEU 22 CO 0.04 0.73 0.43 0.58 -0.34 0.00 0.00 178.44 179.87 5at1 h VAL 23 N -0.24 1.21 0.00 1.05 2.07 -1.29 -2.30 116.25 116.75 5at1 h VAL 23 Ca 0.01 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 5at1 h VAL 23 Cb 0.67 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 5at1 h VAL 23 CO 0.03 0.22 -0.07 -0.07 0.02 0.00 0.00 177.57 177.69 5at1 h LEU 24 N 0.98 0.00 0.23 2.57 4.07 -1.36 -1.61 115.31 120.20 5at1 h LEU 24 Ca 0.26 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.88 5at1 h LEU 24 Cb -0.02 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.74 5at1 h LEU 24 CO -0.05 0.07 -1.56 0.00 -1.08 0.00 0.00 178.44 175.83 5at1 h ALA 25 N 1.93 -0.05 -0.80 1.53 0.00 -0.82 -3.10 119.26 117.93 5at1 h ALA 25 Ca -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 5at1 h ALA 25 Cb 0.76 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 5at1 h ALA 25 CO 0.01 0.79 0.40 1.15 0.00 0.00 0.00 179.25 181.60 5at1 h THR 26 N 0.11 1.25 -0.57 0.00 2.02 -1.30 -2.40 112.91 112.02 5at1 h THR 26 Ca -0.29 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 5at1 h THR 26 Cb 2.13 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 5at1 h THR 26 CO 0.24 0.30 0.09 0.00 0.37 0.00 0.00 175.52 176.52 5at1 h ALA 27 N 1.21 1.10 -0.30 6.16 0.00 -1.35 0.90 119.26 126.98 5at1 h ALA 27 Ca 0.28 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.97 5at1 h ALA 27 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 5at1 h ALA 27 CO -0.04 0.59 0.16 0.00 0.00 0.00 0.00 179.25 179.96 5at1 h ALA 28 N 1.24 0.36 -0.37 0.00 0.00 -1.45 0.48 119.26 119.53 5at1 h ALA 28 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 5at1 h ALA 28 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 5at1 h ALA 28 CO 0.01 -0.22 -0.29 -0.22 0.00 0.00 0.00 179.25 178.52 5at1 h LYS 29 N 0.32 0.79 0.00 0.00 3.64 -0.88 -0.93 116.57 119.51 5at1 h LYS 29 Ca 0.12 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 5at1 h LYS 29 Cb 0.03 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 5at1 h LYS 29 CO -0.08 0.98 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.74 5at1 h LEU 30 N 0.67 0.00 -0.20 5.20 3.38 -0.60 0.20 115.31 123.97 5at1 h LEU 30 Ca 0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 5at1 h LEU 30 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 5at1 h LEU 30 CO 0.07 0.27 -0.47 0.50 0.09 0.00 0.00 178.44 178.90 5at1 h LYS 31 N 0.00 0.67 -0.23 1.13 3.64 -0.52 -3.28 116.57 117.98 5at1 h LYS 31 Ca -0.00 -0.45 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 5at1 h LYS 31 Cb 1.03 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 5at1 h LYS 31 CO 0.04 1.07 -0.07 0.00 -2.27 0.00 0.00 179.45 178.22 5at1 h ALA 32 N 0.59 0.32 -3.02 5.00 0.00 -1.02 -3.41 119.26 117.71 5at1 h ALA 32 Ca -0.00 -0.27 -0.62 0.00 0.00 0.00 0.00 54.91 54.01 5at1 h ALA 32 Cb 1.08 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.38 5at1 h ALA 32 CO 0.10 0.13 -0.65 1.21 0.00 0.00 0.00 179.25 180.05 5at1 s ASN 33 N -6.08 4.23 0.32 0.00 2.47 0.69 -5.10 114.94 111.47 5at1 s ASN 33 Ca -0.14 -3.57 -0.29 0.00 0.42 0.00 0.00 52.86 49.29 5at1 s ASN 33 Cb 0.07 -1.43 -0.11 0.00 -1.45 0.00 0.00 41.25 38.33 5at1 s ASN 33 CO 0.76 -0.13 1.42 -2.84 -3.72 0.00 0.00 177.10 172.60 5at1 s PRO 34 N -0.99 4.24 -0.62 0.43 0.02 -1.24 -4.44 135.00 132.41 5at1 s PRO 34 Ca 0.24 2.38 0.06 0.00 0.02 0.00 0.00 61.00 63.70 5at1 s PRO 34 Cb -0.07 -3.05 0.28 0.00 0.02 0.00 0.00 34.50 31.68 5at1 s PRO 34 CO -0.14 -0.40 0.80 0.94 -0.33 0.00 0.00 177.00 177.88 5at1 n GLN 35 N 1.29 2.70 0.00 5.54 -0.06 -1.26 -4.98 117.38 120.61 5at1 n GLN 35 Ca 0.03 -4.70 0.10 0.00 -2.00 0.00 0.00 57.00 50.44 5at1 n GLN 35 Cb 0.40 -2.23 0.49 0.00 -4.06 0.00 0.00 30.24 24.84 5at1 n GLN 35 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 5at1 n PRO 36 N 0.53 0.16 -0.03 3.69 -0.04 -1.25 -2.28 135.00 135.78 5at1 n PRO 36 Ca 0.30 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 5at1 n PRO 36 Cb 0.41 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 5at1 n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 5at1 n GLU 37 N -1.39 2.32 -0.23 0.54 1.02 -1.26 -2.51 120.64 119.13 5at1 n GLU 37 Ca 0.08 -1.86 -0.08 0.00 -0.02 0.00 0.00 57.16 55.28 5at1 n GLU 37 Cb 0.20 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 5at1 n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 5at1 h LEU 38 N 0.00 1.07 -3.56 -4.62 5.85 -1.41 -2.88 115.31 109.76 5at1 h LEU 38 Ca 0.00 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 5at1 h LEU 38 Cb 0.69 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 5at1 h LEU 38 CO 0.00 1.09 0.13 0.18 -0.34 0.00 0.00 178.44 179.50 5at1 n LEU 39 N -4.19 5.31 -4.76 2.25 4.77 0.11 -5.01 117.00 115.47 5at1 n LEU 39 Ca 0.04 -3.19 -0.39 0.00 -0.03 0.00 0.00 56.01 52.43 5at1 n LEU 39 Cb 0.32 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 5at1 n LEU 39 CO 0.44 0.80 1.03 -1.59 -1.33 0.00 0.00 177.39 176.74 5at1 s LYS 40 N -2.95 3.59 0.00 3.23 -2.85 -1.09 -1.34 119.74 118.33 5at1 s LYS 40 Ca 0.51 2.32 0.00 0.00 -1.00 0.00 0.00 55.97 57.80 5at1 s LYS 40 Cb 0.41 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.62 5at1 s LYS 40 CO 0.11 -0.86 0.00 0.72 0.10 0.00 0.00 175.35 175.42 5at1 n HIS 41 N -0.36 0.00 -3.50 1.78 8.25 -1.25 -4.96 115.22 115.18 5at1 n HIS 41 Ca 0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 5at1 n HIS 41 Cb 0.43 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 5at1 n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 5at1 s LYS 42 N -0.46 3.87 -0.10 -0.41 -0.14 -0.45 -4.97 119.74 117.09 5at1 s LYS 42 Ca 0.00 0.34 0.02 0.00 -1.36 0.00 0.00 55.97 54.97 5at1 s LYS 42 Cb 0.00 -3.07 -0.02 0.00 -1.68 0.00 0.00 37.83 33.07 5at1 s LYS 42 CO 0.00 0.59 -0.15 0.08 -0.76 0.00 0.00 175.35 175.11 5at1 s VAL 43 N -1.30 2.92 -0.12 3.17 1.01 -1.26 -1.01 120.40 123.81 5at1 s VAL 43 Ca 0.31 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.57 5at1 s VAL 43 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 5at1 s VAL 43 CO 0.17 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 175.03 5at1 s ILE 44 N 0.00 2.80 0.05 2.22 -1.09 0.29 -1.18 121.20 124.29 5at1 s ILE 44 Ca -0.05 -0.75 -0.28 0.00 -2.23 0.00 0.00 60.65 57.34 5at1 s ILE 44 Cb -0.14 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.54 5at1 s ILE 44 CO 0.04 0.54 0.87 0.00 -1.23 0.00 0.00 174.94 175.16 5at1 s ALA 45 N 0.31 3.28 -0.58 9.38 0.00 -0.51 -2.15 121.76 131.49 5at1 s ALA 45 Ca -0.12 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 5at1 s ALA 45 Cb -0.16 -3.16 0.15 0.00 0.00 0.00 0.00 23.12 19.95 5at1 s ALA 45 CO 0.06 -0.04 0.38 0.45 0.00 0.00 0.00 175.76 176.61 5at1 s SER 46 N 0.25 5.15 -0.88 0.00 0.15 0.48 -0.90 113.70 117.95 5at1 s SER 46 Ca 0.44 -2.72 -0.14 0.00 0.70 0.00 0.00 55.95 54.22 5at1 s SER 46 Cb -0.21 -1.83 0.21 0.00 -1.71 0.00 0.00 66.02 62.48 5at1 s SER 46 CO 0.26 -0.39 0.87 0.00 1.20 0.00 0.00 173.24 175.18 5at1 s PHE 48 N 0.38 3.53 0.03 0.00 0.40 0.51 -2.25 117.98 120.58 5at1 s PHE 48 Ca 0.22 -1.82 0.26 0.00 -0.60 0.00 0.00 56.93 54.99 5at1 s PHE 48 Cb -0.09 -4.05 0.90 0.00 0.51 0.00 0.00 43.02 40.29 5at1 s PHE 48 CO -0.09 -1.22 1.81 0.74 0.70 0.00 0.00 175.22 177.16 5at1 h PHE 49 N 8.06 0.00 -3.29 0.36 -1.00 -1.60 0.67 116.94 120.13 5at1 h PHE 49 Ca 0.15 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.27 5at1 h PHE 49 Cb 1.01 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.27 5at1 h PHE 49 CO 1.07 0.16 -0.80 -2.00 -1.61 0.00 0.00 178.31 175.13 5at1 s GLU 50 N -3.55 3.24 -0.28 1.51 2.12 -1.21 -2.11 118.70 118.43 5at1 s GLU 50 Ca 0.02 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 5at1 s GLU 50 Cb 0.09 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.89 5at1 s GLU 50 CO 0.62 0.08 1.08 0.00 -0.54 0.00 0.00 175.26 176.50 5at1 s ALA 51 N 0.67 3.56 -0.38 6.30 0.00 -1.26 -4.77 121.76 125.88 5at1 s ALA 51 Ca -0.08 0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.93 5at1 s ALA 51 Cb -0.16 -3.64 0.13 0.00 0.00 0.00 0.00 23.12 19.45 5at1 s ALA 51 CO 0.02 -1.35 0.19 0.45 0.00 0.00 0.00 175.76 175.08 5at1 s SER 52 N 1.57 3.57 0.20 0.00 0.15 -1.26 -5.03 113.70 112.89 5at1 s SER 52 Ca 0.46 -2.23 -0.13 0.00 0.70 0.00 0.00 55.95 54.75 5at1 s SER 52 Cb -0.14 -0.81 0.22 0.00 -1.71 0.00 0.00 66.02 63.59 5at1 s SER 52 CO 0.13 -0.32 1.67 0.74 1.20 0.00 0.00 173.24 176.65 5at1 h THR 53 N 5.53 0.53 -0.26 6.45 2.02 -1.98 -1.99 112.91 123.21 5at1 h THR 53 Ca -0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 5at1 h THR 53 Cb 0.96 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 5at1 h THR 53 CO 0.42 0.02 0.04 0.03 0.37 0.00 0.00 175.52 176.40 5at1 h ARG 54 N 0.09 0.43 -0.96 6.66 3.08 -1.99 -0.31 114.38 121.39 5at1 h ARG 54 Ca 0.28 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.24 5at1 h ARG 54 Cb 0.43 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 5at1 h ARG 54 CO -0.49 0.55 0.63 1.15 -1.07 0.00 0.00 179.97 180.74 5at1 h THR 55 N 0.24 1.18 0.85 2.04 2.02 -1.93 -1.44 112.91 115.87 5at1 h THR 55 Ca 0.08 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 5at1 h THR 55 Cb 0.33 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.59 5at1 h THR 55 CO 0.00 0.22 -0.41 -0.09 0.37 0.00 0.00 175.52 175.62 5at1 h ARG 56 N 1.23 -1.10 -0.83 6.66 2.43 -1.01 -1.40 114.38 120.35 5at1 h ARG 56 Ca 0.37 0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.74 5at1 h ARG 56 Cb -0.03 0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 5at1 h ARG 56 CO -0.11 -0.74 0.54 -0.07 -1.51 0.00 0.00 179.97 178.08 5at1 h LEU 57 N -1.23 0.63 -0.36 3.80 3.38 -1.08 0.57 115.31 121.02 5at1 h LEU 57 Ca -0.12 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 5at1 h LEU 57 Cb 0.88 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 5at1 h LEU 57 CO 0.19 0.35 -0.02 -1.28 0.09 0.00 0.00 178.44 177.77 5at1 h SER 58 N 0.68 0.65 0.30 -0.43 0.87 -1.09 -0.77 113.55 113.76 5at1 h SER 58 Ca 0.40 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 5at1 h SER 58 Cb 0.60 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 5at1 h SER 58 CO -0.16 0.82 -0.14 -0.26 -0.53 0.00 0.00 176.83 176.55 5at1 h PHE 59 N 0.47 -0.37 0.00 2.24 0.05 -0.75 -1.14 116.94 117.43 5at1 h PHE 59 Ca 0.10 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.88 5at1 h PHE 59 Cb 0.50 0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.57 5at1 h PHE 59 CO 0.04 -0.10 0.00 1.96 -0.18 0.00 0.00 178.31 180.03 5at1 h GLN 60 N -0.60 0.00 0.02 1.51 4.20 -0.93 -1.86 115.11 117.46 5at1 h GLN 60 Ca -0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 5at1 h GLN 60 Cb 0.43 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.23 5at1 h GLN 60 CO 0.07 0.00 -0.61 1.15 -0.67 0.00 0.00 178.83 178.77 5at1 h THR 61 N 0.00 1.45 -0.60 -0.54 2.02 -0.82 -2.68 112.91 111.74 5at1 h THR 61 Ca 0.00 -2.14 0.12 0.00 0.77 0.00 0.00 66.41 65.16 5at1 h THR 61 Cb 0.47 2.71 -0.11 0.00 -1.74 0.00 0.00 68.15 69.47 5at1 h THR 61 CO 0.00 0.62 -0.15 0.28 0.37 0.00 0.00 175.52 176.63 5at1 h SER 62 N -0.18 -0.57 -0.86 4.18 0.02 -0.81 0.44 113.55 115.77 5at1 h SER 62 Ca -0.08 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 5at1 h SER 62 Cb 1.34 0.38 -0.04 0.00 0.14 0.00 0.00 62.40 64.22 5at1 h SER 62 CO 0.12 -0.20 0.49 0.24 -1.14 0.00 0.00 176.83 176.34 5at1 h MET 63 N -0.00 1.19 0.00 3.45 2.07 -1.40 -1.38 114.93 118.86 5at1 h MET 63 Ca 0.29 -0.13 -0.03 0.00 -2.07 0.00 0.00 59.70 57.76 5at1 h MET 63 Cb 0.44 -0.24 -0.00 0.00 -1.87 0.00 0.00 31.60 29.93 5at1 h MET 63 CO -0.62 0.86 -0.13 0.45 1.07 0.00 0.00 176.91 178.54 5at1 h HIS 64 N 1.20 0.00 -0.00 -0.22 3.86 -0.60 -1.98 115.15 117.41 5at1 h HIS 64 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 5at1 h HIS 64 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 5at1 h HIS 64 CO 0.00 0.13 -0.06 0.54 0.86 0.00 0.00 177.93 179.41 5at1 n ARG 65 N -3.33 0.89 -0.15 2.45 5.12 -0.50 -1.65 116.66 119.48 5at1 n ARG 65 Ca -0.00 -0.28 0.07 0.00 -1.93 0.00 0.00 57.85 55.71 5at1 n ARG 65 Cb 0.35 -1.49 0.13 0.00 -1.16 0.00 0.00 32.46 30.29 5at1 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 5at1 n LEU 66 N -0.82 2.68 -0.58 0.55 4.77 -1.05 -3.86 117.00 118.70 5at1 n LEU 66 Ca 0.17 -2.66 -0.08 0.00 -0.03 0.00 0.00 56.01 53.41 5at1 n LEU 66 Cb 0.25 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 5at1 n LEU 66 CO 0.21 0.65 -0.07 0.61 -1.33 0.00 0.00 177.39 177.46 5at1 n GLY 67 N -0.75 0.91 3.81 -0.72 0.00 -0.66 0.04 105.19 107.83 5at1 n GLY 67 Ca 0.13 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 5at1 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5at1 s ALA 68 N -2.10 2.66 0.14 4.61 0.00 -0.77 -3.64 121.76 122.66 5at1 s ALA 68 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 5at1 s ALA 68 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 5at1 s ALA 68 CO 0.00 -1.15 0.37 -1.12 0.00 0.00 0.00 175.76 173.85 5at1 s SER 69 N -3.46 6.48 -0.07 0.00 0.01 -0.18 -4.48 113.70 112.00 5at1 s SER 69 Ca 0.60 0.57 0.04 0.00 1.31 0.00 0.00 55.95 58.47 5at1 s SER 69 Cb -0.15 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 5at1 s SER 69 CO 0.50 0.06 -0.20 -0.69 0.41 0.00 0.00 173.24 173.31 5at1 s VAL 70 N -1.65 2.47 0.20 3.43 1.01 -1.26 -0.55 120.40 124.04 5at1 s VAL 70 Ca 0.41 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.54 5at1 s VAL 70 Cb -0.12 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 5at1 s VAL 70 CO 0.25 0.56 -0.11 0.68 0.00 0.00 0.00 175.10 176.48 5at1 s VAL 71 N -0.14 1.49 -5.00 2.92 -7.23 -0.91 -4.95 120.40 106.58 5at1 s VAL 71 Ca -0.03 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 5at1 s VAL 71 Cb -0.14 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.75 5at1 s VAL 71 CO 0.04 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 5at1 n GLY 72 N -0.35 -0.15 3.75 2.32 0.00 -1.26 -0.39 105.19 109.11 5at1 n GLY 72 Ca -0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 5at1 n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 5at1 s PHE 73 N -2.89 -0.10 -0.11 1.61 -0.12 -0.02 -4.93 117.98 111.40 5at1 s PHE 73 Ca 0.00 -0.18 -0.00 0.00 -0.05 0.00 0.00 56.93 56.69 5at1 s PHE 73 Cb 0.00 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 43.05 5at1 s PHE 73 CO 0.00 -0.77 -0.09 -1.54 -0.05 0.00 0.00 175.22 172.77 5at1 s SER 74 N -2.98 2.20 0.00 1.98 1.04 -1.25 -0.36 113.70 114.34 5at1 s SER 74 Ca 0.13 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.24 5at1 s SER 74 Cb -0.01 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.23 5at1 s SER 74 CO 0.02 -0.10 0.00 -0.67 0.98 0.00 0.00 173.24 173.47 5at1 n ASP 75 N 4.81 0.00 0.00 7.02 -0.08 0.23 -4.44 116.55 124.08 5at1 n ASP 75 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 5at1 n ASP 75 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 5at1 n ASP 75 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 5at1 n SER 76 N 0.00 0.00 0.00 1.67 7.64 -0.90 -3.63 113.62 118.40 5at1 n SER 76 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 5at1 n SER 76 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 5at1 n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5at1 n ALA 77 N 0.44 1.76 -1.30 -0.43 0.00 -1.26 -4.93 120.51 114.79 5at1 n ALA 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 5at1 n ALA 77 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 5at1 n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 5at1 n ASN 78 N -0.78 -7.02 0.00 0.00 5.15 -1.24 -5.09 115.26 106.28 5at1 n ASN 78 Ca 0.03 1.48 0.00 0.00 -0.60 0.00 0.00 54.58 55.50 5at1 n ASN 78 Cb 0.01 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.28 5at1 n ASN 78 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 5at1 n THR 79 N -2.22 0.00 0.00 -0.44 -2.24 -1.26 -4.85 114.28 103.26 5at1 n THR 79 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 5at1 n THR 79 Cb 0.35 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 5at1 n THR 79 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 5at1 n SER 80 N -0.09 0.00 -4.85 3.42 7.64 -1.26 -5.14 113.62 113.34 5at1 n SER 80 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 5at1 n SER 80 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 5at1 n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 5at1 s LEU 81 N -2.21 3.17 0.00 -3.43 1.43 -1.26 -3.81 118.68 112.57 5at1 s LEU 81 Ca 0.00 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 5at1 s LEU 81 Cb 0.00 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.77 5at1 s LEU 81 CO 0.00 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.10 5at1 n GLY 82 N -2.51 3.05 3.98 -3.19 0.00 -1.26 -5.01 105.19 100.25 5at1 n GLY 82 Ca 0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 5at1 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5at1 s LYS 83 N 0.00 2.34 -1.17 1.61 1.02 -1.25 -4.60 119.74 117.68 5at1 s LYS 83 Ca 0.00 -1.72 -0.07 0.00 0.02 0.00 0.00 55.97 54.19 5at1 s LYS 83 Cb 0.00 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 5at1 s LYS 83 CO 0.00 -0.71 0.82 1.63 -0.92 0.00 0.00 175.35 176.17 5at1 n LYS 84 N -2.03 -3.30 -0.39 1.68 4.76 -1.26 -3.14 118.16 114.48 5at1 n LYS 84 Ca 0.09 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 5at1 n LYS 84 Cb 0.62 -5.17 0.00 0.00 -1.84 0.00 0.00 35.03 28.64 5at1 n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 5at1 n GLY 85 N -1.45 0.00 3.56 0.72 0.00 -1.26 -4.85 105.19 101.90 5at1 n GLY 85 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 5at1 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5at1 s GLU 86 N -0.78 1.85 0.44 1.61 0.41 -1.19 -4.91 118.70 116.13 5at1 s GLU 86 Ca 0.00 0.30 -0.25 0.00 -0.41 0.00 0.00 54.97 54.61 5at1 s GLU 86 Cb 0.00 -4.85 -0.09 0.00 -1.78 0.00 0.00 34.13 27.41 5at1 s GLU 86 CO 0.00 -4.16 1.37 0.25 -0.49 0.00 0.00 175.26 172.24 5at1 n THR 87 N 8.54 2.73 -0.13 3.63 -2.24 -1.26 -4.08 114.28 121.47 5at1 n THR 87 Ca 0.45 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.80 5at1 n THR 87 Cb 0.44 -1.74 0.39 0.00 -2.10 0.00 0.00 70.33 67.32 5at1 n THR 87 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 5at1 h LEU 88 N 2.21 0.57 0.11 3.22 5.85 -1.95 -2.14 115.31 123.17 5at1 h LEU 88 Ca -0.50 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.24 5at1 h LEU 88 Cb 1.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 5at1 h LEU 88 CO 0.60 0.38 -0.30 0.00 -0.34 0.00 0.00 178.44 178.78 5at1 h ALA 89 N 1.65 -0.50 -0.89 1.25 0.00 -1.93 -0.65 119.26 118.18 5at1 h ALA 89 Ca 0.27 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.16 5at1 h ALA 89 Cb 0.24 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 5at1 h ALA 89 CO -0.08 -0.84 0.59 -0.44 0.00 0.00 0.00 179.25 178.48 5at1 h ASP 90 N -0.51 0.99 -0.11 0.00 3.45 -1.78 -0.40 116.42 118.07 5at1 h ASP 90 Ca 0.03 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.48 5at1 h ASP 90 Cb 0.55 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 5at1 h ASP 90 CO -0.18 0.70 0.04 0.74 -1.57 0.00 0.00 179.24 178.97 5at1 h THR 91 N 1.16 0.99 -0.53 0.35 2.02 -0.90 -2.49 112.91 113.50 5at1 h THR 91 Ca 0.34 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.42 5at1 h THR 91 Cb -0.05 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 5at1 h THR 91 CO -0.09 0.02 0.05 0.40 0.37 0.00 0.00 175.52 176.27 5at1 h ILE 92 N 0.10 1.26 -0.10 3.11 1.08 0.08 -0.80 117.51 122.24 5at1 h ILE 92 Ca 0.04 -1.01 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 5at1 h ILE 92 Cb 0.02 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 5at1 h ILE 92 CO -0.04 0.36 0.10 0.28 -0.69 0.00 0.00 178.15 178.16 5at1 h SER 93 N 0.78 0.00 0.12 1.72 0.02 -1.08 -1.72 113.55 113.39 5at1 h SER 93 Ca 0.16 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.81 5at1 h SER 93 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 5at1 h SER 93 CO 0.02 0.00 -1.53 0.58 -1.14 0.00 0.00 176.83 174.76 5at1 h VAL 94 N 0.00 0.95 -0.36 2.27 2.07 -0.78 -3.38 116.25 117.02 5at1 h VAL 94 Ca 0.05 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.11 5at1 h VAL 94 Cb 0.24 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 5at1 h VAL 94 CO -0.00 0.73 -0.05 0.40 0.02 0.00 0.00 177.57 178.66 5at1 h ILE 95 N -0.24 1.23 -0.10 4.57 2.04 -0.60 -2.55 117.51 121.85 5at1 h ILE 95 Ca -0.33 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.58 5at1 h ILE 95 Cb 1.81 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 5at1 h ILE 95 CO 0.06 0.32 0.00 -1.54 0.00 0.00 0.00 178.15 176.99 5at1 n SER 96 N -4.23 0.59 -0.37 1.72 3.41 -0.70 -2.42 113.62 111.62 5at1 n SER 96 Ca 0.01 -1.93 0.14 0.00 -0.26 0.00 0.00 58.87 56.84 5at1 n SER 96 Cb 0.30 -0.07 0.60 0.00 -0.26 0.00 0.00 64.21 64.78 5at1 n SER 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 5at1 n THR 97 N -0.21 0.00 -1.13 6.66 -1.04 -0.96 -4.55 114.28 113.04 5at1 n THR 97 Ca 0.05 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 5at1 n THR 97 Cb 0.10 0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 5at1 n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 5at1 n TYR 98 N -0.12 0.00 -3.09 -1.42 0.18 -1.02 -5.12 117.16 106.57 5at1 n TYR 98 Ca 0.20 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.79 5at1 n TYR 98 Cb 0.30 0.01 0.03 0.00 -0.38 0.00 0.00 39.34 39.31 5at1 n TYR 98 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 5at1 s VAL 99 N 0.00 2.49 -0.04 -3.48 -7.23 -1.14 -4.91 120.40 106.10 5at1 s VAL 99 Ca 0.00 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 5at1 s VAL 99 Cb 0.00 -2.53 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 5at1 s VAL 99 CO 0.00 0.00 0.18 0.47 -0.31 0.00 0.00 175.10 175.44 5at1 n ASP 100 N -2.02 3.04 -3.70 4.85 8.00 -0.32 -4.84 116.55 121.55 5at1 n ASP 100 Ca 0.11 -0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 5at1 n ASP 100 Cb 0.61 1.31 -0.08 0.00 -0.02 0.00 0.00 41.12 42.93 5at1 n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 5at1 s ALA 101 N -2.44 -1.02 -0.15 2.24 0.00 -1.25 -4.00 121.76 115.15 5at1 s ALA 101 Ca -0.02 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.54 5at1 s ALA 101 Cb 0.05 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.20 5at1 s ALA 101 CO 0.31 -0.28 -0.18 0.42 0.00 0.00 0.00 175.76 176.02 5at1 s ILE 102 N -1.22 1.83 -0.20 0.00 1.01 -0.20 -1.43 121.20 121.00 5at1 s ILE 102 Ca -0.12 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 5at1 s ILE 102 Cb -0.04 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 5at1 s ILE 102 CO 0.05 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.80 5at1 s VAL 103 N 1.16 3.89 0.02 2.92 1.01 -0.08 -0.58 120.40 128.74 5at1 s VAL 103 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 5at1 s VAL 103 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 5at1 s VAL 103 CO -0.07 0.43 -0.04 0.00 0.00 0.00 0.00 175.10 175.42 5at1 s MET 104 N 0.98 0.33 -0.09 2.72 0.00 -0.64 -0.92 119.30 121.68 5at1 s MET 104 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 55.69 55.32 5at1 s MET 104 Cb -0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 34.83 34.53 5at1 s MET 104 CO 0.02 0.03 -0.24 0.50 0.00 0.00 0.00 175.02 175.32 5at1 s ARG 105 N -0.87 2.98 0.03 3.16 3.52 -0.95 -0.51 118.95 126.30 5at1 s ARG 105 Ca -0.07 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.67 5at1 s ARG 105 Cb -0.06 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 31.02 5at1 s ARG 105 CO -0.00 0.21 -0.06 -1.58 -0.81 0.00 0.00 175.30 173.06 5at1 s HIS 106 N 0.26 0.53 0.13 5.12 2.46 0.41 -1.80 115.29 122.40 5at1 s HIS 106 Ca -0.16 -0.44 0.18 0.00 0.47 0.00 0.00 55.06 55.10 5at1 s HIS 106 Cb -0.17 -0.33 0.57 0.00 -0.13 0.00 0.00 32.58 32.52 5at1 s HIS 106 CO 0.08 -0.10 1.68 -1.00 -2.47 0.00 0.00 174.74 172.94 5at1 h PRO 107 N 4.75 0.00 -5.96 2.88 0.13 -1.91 0.64 132.00 132.54 5at1 h PRO 107 Ca -0.34 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.18 5at1 h PRO 107 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 5at1 h PRO 107 CO 0.42 0.41 -0.24 -0.65 -0.23 0.00 0.00 178.00 177.71 5at1 s GLN 108 N -3.50 3.84 0.27 0.86 1.11 -1.26 -3.73 119.66 117.25 5at1 s GLN 108 Ca 0.01 0.33 -0.29 0.00 0.01 0.00 0.00 55.36 55.41 5at1 s GLN 108 Cb 0.11 -3.21 -0.09 0.00 -1.01 0.00 0.00 33.01 28.80 5at1 s GLN 108 CO 0.70 0.70 1.17 -1.21 0.01 0.00 0.00 175.29 176.66 5at1 s GLU 109 N -1.09 4.55 0.00 2.91 8.01 -1.26 -3.16 118.70 128.66 5at1 s GLU 109 Ca 0.23 1.91 0.00 0.00 0.01 0.00 0.00 54.97 57.11 5at1 s GLU 109 Cb -0.16 -3.18 0.00 0.00 -4.31 0.00 0.00 34.13 26.48 5at1 s GLU 109 CO 0.12 0.06 0.00 0.41 0.01 0.00 0.00 175.26 175.86 5at1 n GLY 110 N 1.37 0.26 0.25 -1.39 0.00 -1.26 -4.97 105.19 99.46 5at1 n GLY 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 5at1 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5at1 h ALA 111 N 0.00 0.67 -0.58 4.61 0.00 -1.90 -0.77 119.26 121.29 5at1 h ALA 111 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 5at1 h ALA 111 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 5at1 h ALA 111 CO 0.00 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.89 5at1 h ALA 112 N 0.95 1.27 0.00 0.00 0.00 -1.93 -1.78 119.26 117.77 5at1 h ALA 112 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 5at1 h ALA 112 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 5at1 h ALA 112 CO 0.02 0.53 -0.49 -0.09 0.00 0.00 0.00 179.25 179.21 5at1 h ARG 113 N 0.83 0.00 0.00 0.00 9.65 -1.80 -1.86 114.38 121.21 5at1 h ARG 113 Ca 0.19 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.93 5at1 h ARG 113 Cb 0.21 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 5at1 h ARG 113 CO -0.01 0.49 -0.69 1.25 2.80 0.00 0.00 179.97 183.81 5at1 h LEU 114 N 0.00 0.00 -0.51 3.80 6.46 -0.65 -3.31 115.31 121.10 5at1 h LEU 114 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 5at1 h LEU 114 Cb 0.88 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 5at1 h LEU 114 CO 0.06 0.69 0.27 0.00 -0.62 0.00 0.00 178.44 178.84 5at1 h ALA 115 N 1.31 0.65 -1.55 1.25 0.00 -0.49 -2.16 119.26 118.28 5at1 h ALA 115 Ca -0.01 -0.10 0.50 0.00 0.00 0.00 0.00 54.91 55.30 5at1 h ALA 115 Cb 1.28 -0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 5at1 h ALA 115 CO 0.09 0.18 1.05 2.41 0.00 0.00 0.00 179.25 182.98 5at1 n THR 116 N -4.64 -0.16 0.15 0.00 -1.04 -1.10 -0.60 114.28 106.89 5at1 n THR 116 Ca 0.02 1.65 0.03 0.00 -2.04 0.00 0.00 64.05 63.71 5at1 n THR 116 Cb 0.09 -2.72 0.08 0.00 -1.82 0.00 0.00 70.33 65.95 5at1 n THR 116 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 5at1 h GLU 117 N 0.00 0.00 0.00 -2.82 5.08 -1.52 -3.36 114.58 111.96 5at1 h GLU 117 Ca 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.24 5at1 h GLU 117 Cb 3.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.34 5at1 h GLU 117 CO -0.30 0.49 -0.51 1.19 -1.00 0.00 0.00 179.01 178.88 5at1 n PHE 118 N -3.27 0.00 0.82 4.33 3.01 0.23 -4.46 117.46 118.12 5at1 n PHE 118 Ca 0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.61 5at1 n PHE 118 Cb 0.70 -0.01 0.43 0.00 -0.01 0.00 0.00 39.48 40.59 5at1 n PHE 118 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 5at1 n SER 119 N -1.26 0.44 0.00 4.37 3.41 -0.01 -4.13 113.62 116.44 5at1 n SER 119 Ca 0.02 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 5at1 n SER 119 Cb 0.16 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 5at1 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5at1 n GLY 120 N 1.42 1.16 1.29 5.00 0.00 -1.26 -2.47 105.19 110.33 5at1 n GLY 120 Ca 0.06 0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.50 5at1 n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 5at1 n ASN 121 N 10.16 3.94 -4.76 1.61 4.13 -1.26 -4.86 115.26 124.22 5at1 n ASN 121 Ca 0.00 -2.07 -0.37 0.00 1.68 0.00 0.00 54.58 53.82 5at1 n ASN 121 Cb 0.00 -0.47 -0.06 0.00 -1.54 0.00 0.00 39.78 37.71 5at1 n ASN 121 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 5at1 s VAL 122 N -1.13 5.21 0.39 2.41 1.01 -1.03 -5.04 120.40 122.22 5at1 s VAL 122 Ca 0.46 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 5at1 s VAL 122 Cb 0.25 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 5at1 s VAL 122 CO 0.30 0.42 1.27 -2.84 0.00 0.00 0.00 175.10 174.24 5at1 s PRO 123 N 0.11 4.04 -0.16 2.72 0.02 -1.26 -4.80 135.00 135.67 5at1 s PRO 123 Ca 0.21 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.33 5at1 s PRO 123 Cb -0.15 -2.78 0.01 0.00 0.02 0.00 0.00 34.50 31.61 5at1 s PRO 123 CO 0.08 -0.41 -0.21 0.08 -0.33 0.00 0.00 177.00 176.22 5at1 s VAL 124 N -1.28 2.11 -0.16 3.83 1.01 -1.26 -1.03 120.40 123.62 5at1 s VAL 124 Ca 0.56 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 5at1 s VAL 124 Cb -0.36 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 5at1 s VAL 124 CO 0.47 0.54 -0.07 -0.76 0.00 0.00 0.00 175.10 175.28 5at1 s LEU 125 N 0.99 2.98 -0.45 3.92 2.01 0.25 -1.17 118.68 127.21 5at1 s LEU 125 Ca -0.03 -0.26 -0.27 0.00 0.01 0.00 0.00 54.13 53.59 5at1 s LEU 125 Cb -0.15 -1.72 0.03 0.00 0.01 0.00 0.00 46.19 44.36 5at1 s LEU 125 CO -0.06 0.12 0.99 0.21 1.01 0.00 0.00 176.35 178.62 5at1 s ASN 126 N 0.65 6.57 0.00 2.29 2.47 -0.19 -1.61 114.94 125.12 5at1 s ASN 126 Ca -0.04 0.30 0.22 0.00 0.42 0.00 0.00 52.86 53.76 5at1 s ASN 126 Cb -0.15 -2.48 0.70 0.00 -1.45 0.00 0.00 41.25 37.87 5at1 s ASN 126 CO 0.02 -1.08 1.53 0.00 -3.72 0.00 0.00 177.10 173.85 5at1 n ALA 127 N 7.31 2.51 0.00 1.71 0.00 0.34 -4.24 120.51 128.13 5at1 n ALA 127 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.93 5at1 n ALA 127 Cb 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.88 5at1 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5at1 n GLY 128 N 1.19 3.70 2.92 0.00 0.00 -1.22 -4.75 105.19 107.03 5at1 n GLY 128 Ca 0.17 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 5at1 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 5at1 s ASP 129 N 0.00 4.30 0.94 1.61 -4.77 -0.98 -0.45 116.67 117.32 5at1 s ASP 129 Ca 0.00 -2.72 0.00 0.00 -3.30 0.00 0.00 52.55 46.53 5at1 s ASP 129 Cb 0.00 -1.52 0.00 0.00 -1.09 0.00 0.00 42.92 40.31 5at1 s ASP 129 CO 0.00 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.20 5at1 n GLY 130 N 3.49 2.63 1.62 2.12 0.00 0.22 -1.80 105.19 113.46 5at1 n GLY 130 Ca 0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 5at1 n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 5at1 n SER 131 N 0.23 3.51 0.00 1.61 3.41 -1.26 -4.60 113.62 116.51 5at1 n SER 131 Ca 0.00 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 5at1 n SER 131 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 5at1 n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 5at1 n ASN 132 N -0.27 0.00 -4.42 4.04 5.15 -0.75 -4.92 115.26 114.09 5at1 n ASN 132 Ca 0.31 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.08 5at1 n ASN 132 Cb 1.10 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 40.24 5at1 n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 5at1 s GLN 133 N 0.00 1.56 -0.44 1.20 -1.52 -1.26 -4.95 119.66 114.24 5at1 s GLN 133 Ca 0.00 -1.83 0.07 0.00 -1.95 0.00 0.00 55.36 51.65 5at1 s GLN 133 Cb 0.00 -0.90 0.33 0.00 -0.22 0.00 0.00 33.01 32.22 5at1 s GLN 133 CO 0.00 -0.10 1.09 1.58 -0.25 0.00 0.00 175.29 177.61 5at1 n HIS 134 N -0.60 -2.48 -0.39 0.91 -0.00 -1.26 -2.31 115.22 109.08 5at1 n HIS 134 Ca -0.04 -2.30 0.35 0.00 -0.00 0.00 0.00 57.72 55.73 5at1 n HIS 134 Cb 0.65 1.40 0.69 0.00 -0.00 0.00 0.00 29.99 32.73 5at1 n HIS 134 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 5at1 h PRO 135 N 2.92 0.10 -0.05 1.57 0.13 -1.81 -0.12 132.00 134.75 5at1 h PRO 135 Ca -0.09 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.85 5at1 h PRO 135 Cb 1.10 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 5at1 h PRO 135 CO 0.16 0.07 -0.76 0.00 -0.23 0.00 0.00 178.00 177.23 5at1 h THR 136 N 0.10 1.41 -0.30 1.56 1.03 -1.95 -1.04 112.91 113.73 5at1 h THR 136 Ca 0.66 -2.27 -0.09 0.00 -0.01 0.00 0.00 66.41 64.71 5at1 h THR 136 Cb 2.35 2.21 -0.02 0.00 -1.07 0.00 0.00 68.15 71.63 5at1 h THR 136 CO -0.14 0.67 -0.17 -0.61 -0.01 0.00 0.00 175.52 175.26 5at1 h GLN 137 N 0.20 0.55 -0.23 0.00 5.75 -1.36 -2.35 115.11 117.66 5at1 h GLN 137 Ca -0.03 -0.18 -0.20 0.00 -0.15 0.00 0.00 58.65 58.08 5at1 h GLN 137 Cb 1.34 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.85 5at1 h GLN 137 CO 0.12 0.70 -0.64 1.15 -2.65 0.00 0.00 178.83 177.51 5at1 h THR 138 N 0.49 1.28 -0.47 2.39 2.02 -1.47 -2.72 112.91 114.43 5at1 h THR 138 Ca 0.08 -1.84 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 5at1 h THR 138 Cb 0.58 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 5at1 h THR 138 CO 0.04 0.59 0.30 -0.07 0.37 0.00 0.00 175.52 176.75 5at1 h LEU 139 N 0.60 0.56 -1.69 2.58 3.38 -1.07 -0.70 115.31 118.98 5at1 h LEU 139 Ca -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 5at1 h LEU 139 Cb 1.26 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 5at1 h LEU 139 CO 0.14 0.44 -0.15 0.17 0.09 0.00 0.00 178.44 179.12 5at1 h LEU 140 N 0.64 0.00 -0.02 1.67 8.10 -1.38 -0.59 115.31 123.72 5at1 h LEU 140 Ca 0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.15 5at1 h LEU 140 Cb -0.03 -0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.19 5at1 h LEU 140 CO -0.03 0.16 -0.03 0.44 -4.11 0.00 0.00 178.44 174.86 5at1 h ASP 141 N 0.00 0.07 -0.31 0.17 3.32 -1.12 0.76 116.42 119.31 5at1 h ASP 141 Ca -0.00 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.51 5at1 h ASP 141 Cb 0.27 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 5at1 h ASP 141 CO 0.02 0.58 0.18 -0.07 -1.72 0.00 0.00 179.24 178.23 5at1 h LEU 142 N -0.45 0.38 -0.54 1.55 3.38 -1.09 0.19 115.31 118.73 5at1 h LEU 142 Ca 0.00 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.98 5at1 h LEU 142 Cb 0.57 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 5at1 h LEU 142 CO 0.01 0.35 0.15 0.15 0.09 0.00 0.00 178.44 179.18 5at1 h PHE 143 N 0.39 0.25 -0.14 1.13 -0.00 -1.06 0.79 116.94 118.30 5at1 h PHE 143 Ca 0.11 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 58.04 5at1 h PHE 143 Cb 0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 35.95 5at1 h PHE 143 CO -0.03 0.04 -0.24 1.15 -0.00 0.00 0.00 178.31 179.22 5at1 h THR 144 N 0.30 1.23 -0.14 4.41 2.02 0.06 0.20 112.91 120.99 5at1 h THR 144 Ca 0.27 -1.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 5at1 h THR 144 Cb 0.35 1.39 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 5at1 h THR 144 CO -0.31 0.33 -0.50 0.40 0.37 0.00 0.00 175.52 175.81 5at1 h ILE 145 N 0.23 1.34 -0.27 3.11 2.04 -0.01 -2.54 117.51 121.42 5at1 h ILE 145 Ca 0.04 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 5at1 h ILE 145 Cb 0.55 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 5at1 h ILE 145 CO 0.04 0.54 0.13 -0.61 0.00 0.00 0.00 178.15 178.25 5at1 h GLN 146 N 0.22 0.38 -0.76 2.37 4.15 -0.62 0.45 115.11 121.31 5at1 h GLN 146 Ca -0.02 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.38 5at1 h GLN 146 Cb 1.13 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.70 5at1 h GLN 146 CO 0.10 0.37 0.47 0.37 -1.93 0.00 0.00 178.83 178.22 5at1 h GLN 147 N 0.30 0.89 0.11 1.69 5.75 -0.98 0.28 115.11 123.15 5at1 h GLN 147 Ca 0.09 -0.05 -0.32 0.00 -0.15 0.00 0.00 58.65 58.22 5at1 h GLN 147 Cb 0.11 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 5at1 h GLN 147 CO -0.01 0.59 -1.72 1.79 -2.65 0.00 0.00 178.83 176.83 5at1 h THR 148 N 0.91 0.80 -0.00 2.39 1.35 -1.15 -3.34 112.91 113.87 5at1 h THR 148 Ca 0.31 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 5at1 h THR 148 Cb 0.05 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 5at1 h THR 148 CO -0.12 0.76 -0.25 -0.62 -0.25 0.00 0.00 175.52 175.04 5at1 n GLU 149 N -3.75 0.00 0.00 4.72 -0.58 0.16 -4.92 120.64 116.27 5at1 n GLU 149 Ca -0.29 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.44 5at1 n GLU 149 Cb 0.96 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 5at1 n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 5at1 n GLY 150 N 1.50 2.52 3.30 0.62 0.00 0.97 -4.92 105.19 109.18 5at1 n GLY 150 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 5at1 n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 5at1 s ARG 151 N 0.00 1.42 0.00 1.61 1.70 -1.25 -4.94 118.95 117.48 5at1 s ARG 151 Ca 0.00 -1.78 0.01 0.00 -0.47 0.00 0.00 55.73 53.50 5at1 s ARG 151 Cb 0.00 -0.12 0.02 0.00 -0.57 0.00 0.00 34.95 34.28 5at1 s ARG 151 CO 0.00 -0.35 0.66 -0.11 -1.08 0.00 0.00 175.30 174.41 5at1 n LEU 152 N -0.46 1.35 -4.52 -1.89 7.94 -1.26 -4.23 117.00 113.93 5at1 n LEU 152 Ca 0.01 -1.24 -0.28 0.00 -1.11 0.00 0.00 56.01 53.39 5at1 n LEU 152 Cb 0.66 -0.01 -0.10 0.00 0.53 0.00 0.00 43.42 44.50 5at1 n LEU 152 CO 0.36 0.33 -0.45 -1.81 -1.11 0.00 0.00 177.39 174.70 5at1 s ASP 153 N -0.32 4.03 -1.46 1.96 1.01 -1.26 -4.69 116.67 115.94 5at1 s ASP 153 Ca 0.02 -0.60 -0.10 0.00 0.71 0.00 0.00 52.55 52.58 5at1 s ASP 153 Cb 0.01 -0.61 0.04 0.00 1.01 0.00 0.00 42.92 43.38 5at1 s ASP 153 CO 0.02 0.13 0.93 0.59 0.21 0.00 0.00 175.17 177.05 5at1 n ASN 154 N 0.35 -5.50 -4.96 0.27 4.13 0.42 -4.97 115.26 104.99 5at1 n ASN 154 Ca -0.13 -0.57 -0.22 0.00 1.68 0.00 0.00 54.58 55.35 5at1 n ASN 154 Cb 0.54 -4.39 0.01 0.00 -1.54 0.00 0.00 39.78 34.41 5at1 n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 5at1 s LEU 155 N -7.10 3.66 -0.28 3.41 1.43 -1.25 -4.92 118.68 113.63 5at1 s LEU 155 Ca 0.55 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 5at1 s LEU 155 Cb -0.26 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 42.98 5at1 s LEU 155 CO 0.68 -0.70 -0.05 -1.00 0.23 0.00 0.00 176.35 175.51 5at1 s HIS 156 N -2.51 3.12 -0.21 0.29 3.76 -1.26 -1.54 115.29 116.94 5at1 s HIS 156 Ca 0.49 -2.34 0.02 0.00 -0.15 0.00 0.00 55.06 53.07 5at1 s HIS 156 Cb -0.10 -2.10 0.04 0.00 1.11 0.00 0.00 32.58 31.53 5at1 s HIS 156 CO 0.37 -0.87 -0.16 0.08 -0.85 0.00 0.00 174.74 173.30 5at1 s VAL 157 N 1.14 2.06 -0.23 -0.90 1.01 -0.24 -1.27 120.40 121.98 5at1 s VAL 157 Ca -0.02 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 5at1 s VAL 157 Cb -0.19 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 5at1 s VAL 157 CO -0.07 0.31 0.14 0.00 0.00 0.00 0.00 175.10 175.48 5at1 s ALA 158 N 1.23 3.60 -0.28 5.51 0.00 -0.55 -1.42 121.76 129.86 5at1 s ALA 158 Ca -0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 5at1 s ALA 158 Cb -0.16 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.71 5at1 s ALA 158 CO -0.10 -0.10 0.06 -1.64 0.00 0.00 0.00 175.76 173.99 5at1 s MET 159 N 0.87 3.19 -0.03 0.00 1.00 0.12 -1.10 119.30 123.35 5at1 s MET 159 Ca 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 55.69 55.04 5at1 s MET 159 Cb -0.13 -3.32 -0.01 0.00 0.00 0.00 0.00 34.83 31.37 5at1 s MET 159 CO 0.03 -0.38 -0.23 0.08 0.00 0.00 0.00 175.02 174.52 5at1 s VAL 160 N 1.51 1.83 0.00 -6.03 1.01 0.32 -1.30 120.40 117.74 5at1 s VAL 160 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.05 5at1 s VAL 160 Cb -0.17 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.68 5at1 s VAL 160 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 5at1 n GLY 161 N 2.76 0.10 3.43 4.51 0.00 -0.63 -0.98 105.19 114.38 5at1 n GLY 161 Ca -0.17 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 5at1 n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 5at1 s ASP 162 N -4.00 6.58 0.37 1.61 3.68 -1.26 -4.33 116.67 119.32 5at1 s ASP 162 Ca 0.00 -2.01 0.20 0.00 2.13 0.00 0.00 52.55 52.87 5at1 s ASP 162 Cb 0.00 -2.37 0.23 0.00 -1.45 0.00 0.00 42.92 39.33 5at1 s ASP 162 CO 0.00 -1.03 1.54 -0.07 0.13 0.00 0.00 175.17 175.74 5at1 h LEU 163 N 10.06 0.00 0.05 -1.34 3.38 -1.67 -2.41 115.31 123.39 5at1 h LEU 163 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 5at1 h LEU 163 Cb 1.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.80 5at1 h LEU 163 CO 1.06 0.20 -0.71 0.50 0.09 0.00 0.00 178.44 179.59 5at1 h LYS 164 N 0.00 0.39 0.00 1.13 3.64 0.48 -3.37 116.57 118.84 5at1 h LYS 164 Ca -0.00 -0.49 -0.17 0.00 -1.27 0.00 0.00 60.65 58.72 5at1 h LYS 164 Cb 1.16 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 5at1 h LYS 164 CO 0.03 1.16 -1.67 0.66 -2.27 0.00 0.00 179.45 177.36 5at1 n TYR 165 N -4.16 0.65 -1.55 1.91 4.01 -1.26 -4.79 117.16 111.97 5at1 n TYR 165 Ca -0.12 0.21 -0.26 0.00 -0.16 0.00 0.00 57.90 57.57 5at1 n TYR 165 Cb 0.74 -0.98 -0.07 0.00 -0.31 0.00 0.00 39.34 38.72 5at1 n TYR 165 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5at1 n GLY 166 N 1.43 -0.06 0.30 2.72 0.00 -0.90 -4.81 105.19 103.87 5at1 n GLY 166 Ca -0.13 0.52 0.02 0.00 0.00 0.00 0.00 46.02 46.42 5at1 n GLY 166 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 5at1 h ARG 167 N 15.65 -0.01 -0.19 1.61 2.43 -1.90 -2.75 114.38 129.22 5at1 h ARG 167 Ca -0.11 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 5at1 h ARG 167 Cb 1.16 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 5at1 h ARG 167 CO 1.15 -0.01 -0.17 1.79 -1.51 0.00 0.00 179.97 181.23 5at1 h THR 168 N -0.01 0.55 0.00 0.20 1.35 -1.93 -1.86 112.91 111.21 5at1 h THR 168 Ca 0.36 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 66.14 5at1 h THR 168 Cb 0.57 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 5at1 h THR 168 CO -0.80 0.00 -0.42 -0.37 -0.25 0.00 0.00 175.52 173.68 5at1 h VAL 169 N -0.18 1.15 -0.09 6.82 -1.51 -1.89 -2.51 116.25 118.04 5at1 h VAL 169 Ca 0.12 -1.52 -0.04 0.00 -1.23 0.00 0.00 66.70 64.03 5at1 h VAL 169 Cb 0.35 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.37 5at1 h VAL 169 CO -0.30 0.41 -0.09 0.45 -1.23 0.00 0.00 177.57 176.82 5at1 h HIS 170 N 0.00 0.27 -0.14 5.19 3.86 -1.15 -1.63 115.15 121.54 5at1 h HIS 170 Ca -0.00 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 5at1 h HIS 170 Cb 0.82 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 5at1 h HIS 170 CO 0.00 0.64 0.06 0.77 0.86 0.00 0.00 177.93 180.26 5at1 h SER 171 N -0.18 0.08 -0.89 2.45 0.02 -1.35 -2.19 113.55 111.48 5at1 h SER 171 Ca 0.02 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 5at1 h SER 171 Cb 0.59 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 5at1 h SER 171 CO 0.02 0.07 0.58 0.25 -1.14 0.00 0.00 176.83 176.61 5at1 h LEU 172 N 0.14 0.96 -1.06 5.07 5.85 -1.42 0.29 115.31 125.14 5at1 h LEU 172 Ca 0.06 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 5at1 h LEU 172 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 5at1 h LEU 172 CO -0.05 0.66 0.11 0.74 -0.34 0.00 0.00 178.44 179.56 5at1 h THR 173 N 1.13 1.22 -0.20 1.05 2.02 -1.10 0.12 112.91 117.15 5at1 h THR 173 Ca 0.35 -0.81 -0.19 0.00 0.77 0.00 0.00 66.41 66.53 5at1 h THR 173 Cb -0.01 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 5at1 h THR 173 CO -0.11 0.30 -0.63 1.56 0.37 0.00 0.00 175.52 177.00 5at1 h GLN 174 N 0.75 0.72 0.02 6.66 4.20 -0.65 -2.03 115.11 124.79 5at1 h GLN 174 Ca 0.17 -0.50 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 5at1 h GLN 174 Cb 0.30 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.16 5at1 h GLN 174 CO 0.00 1.12 -0.01 0.00 -0.67 0.00 0.00 178.83 179.27 5at1 h ALA 175 N 0.76 -0.03 0.00 3.87 0.00 -0.80 -3.20 119.26 119.86 5at1 h ALA 175 Ca -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 5at1 h ALA 175 Cb 1.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 5at1 h ALA 175 CO 0.13 -0.27 -0.31 -0.07 0.00 0.00 0.00 179.25 178.74 5at1 h LEU 176 N -0.54 0.00 0.00 0.00 3.38 -0.84 -2.73 115.31 114.58 5at1 h LEU 176 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 5at1 h LEU 176 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 5at1 h LEU 176 CO 0.01 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.84 5at1 n ALA 177 N -2.36 1.28 1.05 1.53 0.00 -0.76 -0.92 120.51 120.32 5at1 n ALA 177 Ca -0.01 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.53 5at1 n ALA 177 Cb 0.39 -1.07 0.25 0.00 0.00 0.00 0.00 19.45 19.03 5at1 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 5at1 n LYS 178 N -1.41 0.18 -3.97 0.00 5.02 -1.03 -4.90 118.16 112.05 5at1 n LYS 178 Ca 0.01 -0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 55.97 5at1 n LYS 178 Cb 0.04 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 5at1 n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 5at1 s PHE 179 N -2.89 2.75 0.11 2.13 0.08 -0.09 -4.92 117.98 115.14 5at1 s PHE 179 Ca 0.14 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 5at1 s PHE 179 Cb 0.18 -1.77 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 5at1 s PHE 179 CO 0.67 0.23 0.29 -0.51 -0.10 0.00 0.00 175.22 175.80 5at1 s ASP 180 N -3.92 6.41 -1.63 1.36 1.01 -1.26 -4.38 116.67 114.25 5at1 s ASP 180 Ca 0.40 0.39 -0.02 0.00 0.71 0.00 0.00 52.55 54.03 5at1 s ASP 180 Cb -0.03 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.90 5at1 s ASP 180 CO 0.24 0.10 0.28 0.61 0.21 0.00 0.00 175.17 176.62 5at1 n GLY 181 N 0.09 -0.47 3.79 0.21 0.00 -1.26 -0.44 105.19 107.11 5at1 n GLY 181 Ca -0.04 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 5at1 n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5at1 s ASN 182 N -2.38 7.12 -0.13 1.61 0.01 -1.26 -3.83 114.94 116.08 5at1 s ASN 182 Ca 0.14 1.83 0.01 0.00 -0.71 0.00 0.00 52.86 54.13 5at1 s ASN 182 Cb -0.06 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.05 5at1 s ASN 182 CO 0.17 -0.22 -0.15 -0.13 -1.51 0.00 0.00 177.10 175.26 5at1 s ARG 183 N -2.45 2.23 -0.07 -0.60 0.52 -0.59 -4.15 118.95 113.84 5at1 s ARG 183 Ca 0.55 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 5at1 s ARG 183 Cb -0.17 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 5at1 s ARG 183 CO 0.21 -0.14 -0.01 -0.06 0.02 0.00 0.00 175.30 175.32 5at1 s PHE 184 N 1.22 3.10 -0.13 -0.53 0.40 -0.68 -1.07 117.98 120.28 5at1 s PHE 184 Ca -0.01 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 5at1 s PHE 184 Cb -0.14 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.64 5at1 s PHE 184 CO -0.06 0.44 -0.21 0.71 0.70 0.00 0.00 175.22 176.80 5at1 s TYR 185 N -0.89 2.67 -0.27 0.36 1.51 -0.51 -1.86 117.35 118.37 5at1 s TYR 185 Ca 0.14 -1.24 -0.08 0.00 -1.01 0.00 0.00 57.07 54.88 5at1 s TYR 185 Cb -0.11 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 5at1 s TYR 185 CO 0.03 -0.55 0.08 -0.06 -1.11 0.00 0.00 175.55 173.94 5at1 s PHE 186 N 0.72 3.11 -0.26 2.71 0.08 -0.23 0.11 117.98 124.22 5at1 s PHE 186 Ca -0.09 -0.54 -0.00 0.00 0.12 0.00 0.00 56.93 56.42 5at1 s PHE 186 Cb -0.16 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 40.07 5at1 s PHE 186 CO 0.00 -0.41 -0.07 0.42 -0.10 0.00 0.00 175.22 175.06 5at1 s ILE 187 N 1.60 2.63 -0.12 0.64 1.09 -0.42 -2.11 121.20 124.50 5at1 s ILE 187 Ca 0.06 -1.30 -0.19 0.00 -1.10 0.00 0.00 60.65 58.11 5at1 s ILE 187 Cb -0.16 -2.43 0.05 0.00 -1.06 0.00 0.00 42.46 38.86 5at1 s ILE 187 CO 0.04 0.07 0.48 0.00 -0.10 0.00 0.00 174.94 175.43 5at1 s ALA 188 N 1.23 -1.20 0.35 9.38 0.00 -1.26 -1.60 121.76 128.66 5at1 s ALA 188 Ca -0.04 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 5at1 s ALA 188 Cb -0.18 -0.45 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 5at1 s ALA 188 CO -0.04 -0.26 1.48 -0.35 0.00 0.00 0.00 175.76 176.59 5at1 n PRO 189 N 2.11 2.59 0.12 0.00 -0.04 -1.26 -4.85 135.00 133.67 5at1 n PRO 189 Ca -0.16 0.91 0.20 0.00 -0.04 0.00 0.00 63.50 64.40 5at1 n PRO 189 Cb 0.56 -2.63 0.76 0.00 -0.04 0.00 0.00 33.50 32.16 5at1 n PRO 189 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 5at1 h ASP 190 N 3.31 0.00 1.05 3.54 3.32 -1.99 0.22 116.42 125.87 5at1 h ASP 190 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 5at1 h ASP 190 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 5at1 h ASP 190 CO 0.67 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 5at1 h ALA 191 N 1.56 1.00 -0.10 3.45 0.00 -2.01 -3.18 119.26 119.98 5at1 h ALA 191 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 5at1 h ALA 191 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 5at1 h ALA 191 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 5at1 n LEU 192 N -3.05 2.89 -4.74 0.00 4.77 0.06 -4.95 117.00 111.98 5at1 n LEU 192 Ca 0.01 -2.97 -0.35 0.00 -0.03 0.00 0.00 56.01 52.67 5at1 n LEU 192 Cb 0.31 -0.44 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 5at1 n LEU 192 CO 0.27 0.69 0.81 0.00 -1.33 0.00 0.00 177.39 177.83 5at1 s ALA 193 N -2.70 2.35 -0.04 -1.18 0.00 -1.15 0.90 121.76 119.94 5at1 s ALA 193 Ca 0.34 0.90 -0.32 0.00 0.00 0.00 0.00 51.96 52.88 5at1 s ALA 193 Cb 0.28 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 5at1 s ALA 193 CO 0.05 -1.49 1.97 -0.12 0.00 0.00 0.00 175.76 176.18 5at1 n MET 194 N -2.18 2.49 -2.01 0.00 1.56 -1.26 -3.49 117.12 112.22 5at1 n MET 194 Ca 0.13 0.89 -0.40 0.00 -0.27 0.00 0.00 57.70 58.05 5at1 n MET 194 Cb 0.50 -2.88 -0.01 0.00 2.15 0.00 0.00 33.22 32.98 5at1 n MET 194 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 5at1 s PRO 195 N 4.57 4.16 0.36 2.12 0.04 -1.26 -4.84 135.00 140.15 5at1 s PRO 195 Ca 0.92 2.29 0.18 0.00 0.04 0.00 0.00 61.00 64.44 5at1 s PRO 195 Cb -0.53 -2.94 1.26 0.00 0.04 0.00 0.00 34.50 32.32 5at1 s PRO 195 CO 0.45 -0.38 1.59 0.93 0.04 0.00 0.00 177.00 179.63 5at1 h GLU 196 N 3.05 0.05 0.00 4.56 4.39 -2.00 -2.59 114.58 122.04 5at1 h GLU 196 Ca -0.50 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 5at1 h GLU 196 Cb 1.24 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 5at1 h GLU 196 CO 0.64 0.03 0.00 0.10 -1.16 0.00 0.00 179.01 178.62 5at1 h TYR 197 N 0.05 0.00 0.00 4.33 -0.00 -1.99 0.19 116.97 119.56 5at1 h TYR 197 Ca 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.53 5at1 h TYR 197 Cb 2.07 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.80 5at1 h TYR 197 CO -0.05 0.00 -0.11 0.82 -0.00 0.00 0.00 178.16 178.82 5at1 h ILE 198 N 0.00 0.30 -0.97 -0.90 1.08 -1.83 -3.19 117.51 112.01 5at1 h ILE 198 Ca 0.00 -1.24 0.25 0.00 -0.39 0.00 0.00 64.86 63.47 5at1 h ILE 198 Cb 0.21 0.59 -0.13 0.00 -3.07 0.00 0.00 36.82 34.43 5at1 h ILE 198 CO 0.00 0.10 0.52 -0.07 -0.69 0.00 0.00 178.15 178.01 5at1 h LEU 199 N -1.00 0.53 -0.90 1.44 3.38 -1.55 -0.53 115.31 116.68 5at1 h LEU 199 Ca -0.01 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.15 5at1 h LEU 199 Cb 0.26 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 5at1 h LEU 199 CO -0.01 0.04 0.58 0.44 0.09 0.00 0.00 178.44 179.58 5at1 h ASP 200 N 0.48 0.97 0.59 -0.43 3.32 -0.74 -1.15 116.42 119.46 5at1 h ASP 200 Ca 0.63 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.51 5at1 h ASP 200 Cb 1.22 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 5at1 h ASP 200 CO -0.51 0.66 -0.73 -0.03 -1.72 0.00 0.00 179.24 176.91 5at1 h MET 201 N 1.13 0.11 -0.56 3.56 1.85 -1.10 -2.55 114.93 117.37 5at1 h MET 201 Ca 0.36 -0.10 -0.10 0.00 -0.61 0.00 0.00 59.70 59.25 5at1 h MET 201 Cb 0.02 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 5at1 h MET 201 CO -0.12 0.79 -0.05 -0.07 -0.40 0.00 0.00 176.91 177.05 5at1 h LEU 202 N 0.07 1.00 0.22 3.39 3.38 -0.71 -2.74 115.31 119.93 5at1 h LEU 202 Ca -0.02 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 5at1 h LEU 202 Cb 1.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.77 5at1 h LEU 202 CO 0.10 1.08 -0.10 0.44 0.09 0.00 0.00 178.44 180.05 5at1 h ASP 203 N 0.92 -0.25 -0.58 -0.43 3.32 -1.09 -2.04 116.42 116.27 5at1 h ASP 203 Ca 0.16 -0.13 0.17 0.00 0.02 0.00 0.00 57.03 57.25 5at1 h ASP 203 Cb 0.60 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 5at1 h ASP 203 CO 0.04 -0.02 0.61 -0.08 -1.72 0.00 0.00 179.24 178.07 5at1 h GLU 204 N -0.47 0.00 -0.12 3.56 4.81 -1.35 0.26 114.58 121.27 5at1 h GLU 204 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 5at1 h GLU 204 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 5at1 h GLU 204 CO 0.05 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.96 5at1 n LYS 205 N -3.68 2.33 -1.91 1.92 5.02 -0.95 -4.95 118.16 115.94 5at1 n LYS 205 Ca 0.12 -1.96 -0.11 0.00 -2.02 0.00 0.00 58.31 54.34 5at1 n LYS 205 Cb 0.82 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 5at1 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 5at1 n GLY 206 N 1.38 0.35 3.68 0.72 0.00 0.91 -4.99 105.19 107.24 5at1 n GLY 206 Ca 0.16 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 5at1 n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5at1 s ILE 207 N -2.50 5.14 0.27 -0.61 1.01 -0.81 -5.04 121.20 118.66 5at1 s ILE 207 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 5at1 s ILE 207 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 5at1 s ILE 207 CO 0.00 0.23 1.12 0.00 0.00 0.00 0.00 174.94 176.29 5at1 s ALA 208 N 1.32 3.41 0.12 9.38 0.00 -1.26 -4.52 121.76 130.22 5at1 s ALA 208 Ca 0.24 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 5at1 s ALA 208 Cb -0.15 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.66 5at1 s ALA 208 CO 0.09 -0.21 0.40 1.67 0.00 0.00 0.00 175.76 177.71 5at1 s TRP 209 N -1.06 -0.20 0.22 0.00 1.48 -1.26 -1.68 118.94 116.44 5at1 s TRP 209 Ca 0.45 -0.09 -0.11 0.00 -1.06 0.00 0.00 56.10 55.29 5at1 s TRP 209 Cb -0.32 0.25 -0.01 0.00 -1.16 0.00 0.00 33.47 32.23 5at1 s TRP 209 CO 0.41 -0.69 0.40 -1.54 -4.06 0.00 0.00 176.95 171.48 5at1 s SER 210 N -2.73 -0.05 -0.08 -2.66 1.04 -0.78 -4.97 113.70 103.47 5at1 s SER 210 Ca 0.02 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.55 5at1 s SER 210 Cb 0.02 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 5at1 s SER 210 CO -0.11 -1.05 -0.15 -0.76 0.98 0.00 0.00 173.24 172.15 5at1 s LEU 211 N -3.01 2.68 0.16 2.42 1.02 -1.26 -1.07 118.68 119.61 5at1 s LEU 211 Ca 0.22 -0.27 0.07 0.00 0.02 0.00 0.00 54.13 54.17 5at1 s LEU 211 Cb 0.01 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 5at1 s LEU 211 CO 0.06 0.27 -0.16 -1.00 0.02 0.00 0.00 176.35 175.54 5at1 s HIS 212 N -0.25 1.65 -0.04 0.29 3.76 -0.90 -4.91 115.29 114.89 5at1 s HIS 212 Ca 0.01 -0.52 0.10 0.00 -0.15 0.00 0.00 55.06 54.50 5at1 s HIS 212 Cb -0.13 -0.83 -0.23 0.00 1.11 0.00 0.00 32.58 32.50 5at1 s HIS 212 CO 0.03 0.27 0.69 0.77 -0.85 0.00 0.00 174.74 175.65 5at1 h SER 213 N 3.21 0.05 -4.67 1.40 0.02 -1.95 -3.39 113.55 108.23 5at1 h SER 213 Ca -0.41 -0.11 -0.29 0.00 -0.84 0.00 0.00 61.79 60.15 5at1 h SER 213 Cb 1.20 -0.02 -0.20 0.00 0.14 0.00 0.00 62.40 63.53 5at1 h SER 213 CO 0.53 1.09 -0.73 -0.94 -1.14 0.00 0.00 176.83 175.64 5at1 s SER 214 N -6.25 1.06 0.40 3.07 1.04 -1.26 -4.87 113.70 106.89 5at1 s SER 214 Ca -0.06 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 55.78 5at1 s SER 214 Cb 0.08 0.03 0.81 0.00 0.10 0.00 0.00 66.02 67.04 5at1 s SER 214 CO 0.82 -0.23 2.05 0.40 0.98 0.00 0.00 173.24 177.26 5at1 h ILE 215 N 4.17 1.12 -0.96 -1.02 2.04 -1.95 -2.63 117.51 118.27 5at1 h ILE 215 Ca -0.37 -0.22 0.21 0.00 1.00 0.00 0.00 64.86 65.48 5at1 h ILE 215 Cb 1.19 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 5at1 h ILE 215 CO 0.45 0.12 0.62 -0.08 0.00 0.00 0.00 178.15 179.26 5at1 h GLU 216 N 0.62 0.49 -0.52 2.37 4.22 -1.95 -0.65 114.58 119.15 5at1 h GLU 216 Ca 0.17 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.61 5at1 h GLU 216 Cb -0.06 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 5at1 h GLU 216 CO -0.04 0.32 0.34 0.93 -2.18 0.00 0.00 179.01 178.39 5at1 h GLU 217 N 0.50 0.56 -0.00 1.92 5.08 -1.89 -3.29 114.58 117.46 5at1 h GLU 217 Ca 0.53 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 5at1 h GLU 217 Cb 1.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.30 5at1 h GLU 217 CO -0.26 0.37 -0.04 1.55 -1.00 0.00 0.00 179.01 179.63 5at1 n VAL 218 N -4.47 0.00 -0.27 3.13 3.14 -0.33 -4.79 118.33 114.74 5at1 n VAL 218 Ca 0.06 -0.48 0.05 0.00 -2.96 0.00 0.00 64.34 61.01 5at1 n VAL 218 Cb 0.15 1.03 0.16 0.00 -1.06 0.00 0.00 33.84 34.11 5at1 n VAL 218 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 5at1 h MET 219 N 0.24 0.07 -0.73 1.45 4.05 -1.43 -2.63 114.93 115.95 5at1 h MET 219 Ca 0.00 -0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.55 5at1 h MET 219 Cb 0.07 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 5at1 h MET 219 CO 0.00 0.05 0.49 0.00 0.23 0.00 0.00 176.91 177.68 5at1 h ALA 220 N 1.74 2.07 -0.38 0.39 0.00 -1.85 -2.75 119.26 118.48 5at1 h ALA 220 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 5at1 h ALA 220 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 5at1 h ALA 220 CO -0.71 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 178.67 5at1 n GLU 221 N -4.48 2.40 -4.26 0.00 -0.58 -0.99 -4.53 120.64 108.19 5at1 n GLU 221 Ca 0.13 -2.20 -0.35 0.00 -0.42 0.00 0.00 57.16 54.32 5at1 n GLU 221 Cb 0.49 -1.46 -0.09 0.00 -0.57 0.00 0.00 31.44 29.80 5at1 n GLU 221 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 5at1 s VAL 222 N -1.33 4.48 -0.22 2.62 1.01 -1.04 -4.67 120.40 121.25 5at1 s VAL 222 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 5at1 s VAL 222 Cb 0.21 -2.92 -0.19 0.00 0.00 0.00 0.00 36.38 33.47 5at1 s VAL 222 CO 0.28 0.58 -0.05 0.47 0.00 0.00 0.00 175.10 176.38 5at1 n ASP 223 N 2.46 2.02 -3.89 3.32 8.00 -0.40 -4.52 116.55 123.54 5at1 n ASP 223 Ca -0.18 0.03 -0.21 0.00 0.71 0.00 0.00 54.79 55.13 5at1 n ASP 223 Cb 0.53 -0.61 -0.17 0.00 -0.02 0.00 0.00 41.12 40.86 5at1 n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 5at1 s ILE 224 N -2.52 0.61 -0.26 0.53 -1.09 -1.09 -1.42 121.20 115.97 5at1 s ILE 224 Ca -0.31 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 5at1 s ILE 224 Cb 0.09 -0.64 0.05 0.00 -1.58 0.00 0.00 42.46 40.37 5at1 s ILE 224 CO 0.64 0.25 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.30 5at1 s LEU 225 N 1.07 3.43 -0.36 2.97 2.96 0.17 -1.47 118.68 127.43 5at1 s LEU 225 Ca -0.09 -1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 52.48 5at1 s LEU 225 Cb -0.14 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.97 5at1 s LEU 225 CO -0.01 -0.19 0.20 -0.47 -1.32 0.00 0.00 176.35 174.57 5at1 s TYR 226 N 1.19 3.23 -0.01 5.38 6.14 -0.26 -0.22 117.35 132.80 5at1 s TYR 226 Ca -0.06 -0.86 -0.16 0.00 0.64 0.00 0.00 57.07 56.63 5at1 s TYR 226 Cb -0.19 -2.43 -0.06 0.00 0.42 0.00 0.00 41.96 39.70 5at1 s TYR 226 CO -0.04 -0.61 0.44 -1.64 0.64 0.00 0.00 175.55 174.34 5at1 s MET 227 N 1.57 4.04 0.23 4.97 -1.94 -0.21 -0.52 119.30 127.44 5at1 s MET 227 Ca 0.03 0.47 0.11 0.00 -1.71 0.00 0.00 55.69 54.58 5at1 s MET 227 Cb -0.19 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.34 5at1 s MET 227 CO 0.07 0.59 -0.17 0.99 -0.01 0.00 0.00 175.02 176.49 5at1 s THR 228 N -0.77 2.69 -0.05 2.05 2.01 -0.15 -4.18 115.64 117.23 5at1 s THR 228 Ca 0.25 -2.07 -0.30 0.00 0.31 0.00 0.00 61.69 59.88 5at1 s THR 228 Cb -0.17 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 5at1 s THR 228 CO 0.14 -0.24 1.13 -0.60 -0.69 0.00 0.00 174.62 174.36 5at1 s ARG 229 N -3.10 4.39 -0.47 4.92 3.00 -1.26 -4.33 118.95 122.11 5at1 s ARG 229 Ca 0.26 1.59 -0.24 0.00 -1.00 0.00 0.00 55.73 56.33 5at1 s ARG 229 Cb -0.07 -3.53 0.03 0.00 0.00 0.00 0.00 34.95 31.38 5at1 s ARG 229 CO 0.14 -0.36 0.87 0.08 0.00 0.00 0.00 175.30 176.02 5at1 s VAL 230 N 1.97 4.54 -0.24 7.11 1.01 -1.26 -4.32 120.40 129.20 5at1 s VAL 230 Ca 0.54 0.56 -0.28 0.00 0.00 0.00 0.00 61.98 62.79 5at1 s VAL 230 Cb -0.23 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 5at1 s VAL 230 CO 0.22 -0.81 2.21 -1.10 0.00 0.00 0.00 175.10 175.62 5at1 s GLN 231 N 3.57 3.06 0.33 2.72 1.11 -1.26 -4.83 119.66 124.36 5at1 s GLN 231 Ca 0.33 1.95 0.12 0.00 0.01 0.00 0.00 55.36 57.78 5at1 s GLN 231 Cb -0.11 -4.38 1.00 0.00 -1.01 0.00 0.00 33.01 28.51 5at1 s GLN 231 CO 0.24 -2.18 1.68 -0.22 0.01 0.00 0.00 175.29 174.82 5at1 h LYS 232 N 15.29 0.37 0.00 2.91 3.11 -1.95 0.13 116.57 136.44 5at1 h LYS 232 Ca -0.40 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.42 5at1 h LYS 232 Cb 1.24 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 5at1 h LYS 232 CO 0.98 0.25 0.00 0.39 -2.81 0.00 0.00 179.45 178.25 5at1 n GLU 233 N -5.02 0.09 0.07 1.90 4.71 -1.26 -2.41 120.64 118.72 5at1 n GLU 233 Ca 0.30 0.24 0.13 0.00 -0.01 0.00 0.00 57.16 57.82 5at1 n GLU 233 Cb 0.89 -1.50 0.45 0.00 -1.01 0.00 0.00 31.44 30.28 5at1 n GLU 233 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 5at1 n ARG 234 N -1.34 0.18 -4.41 3.49 3.00 0.47 -4.84 116.66 113.20 5at1 n ARG 234 Ca 0.04 0.14 -0.20 0.00 -0.00 0.00 0.00 57.85 57.82 5at1 n ARG 234 Cb 0.08 -1.70 -0.10 0.00 0.00 0.00 0.00 32.46 30.74 5at1 n ARG 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 5at1 s LEU 235 N -4.03 1.97 0.50 6.15 1.43 -1.01 -5.09 118.68 118.60 5at1 s LEU 235 Ca 0.11 -1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 51.63 5at1 s LEU 235 Cb 0.14 -0.21 -0.08 0.00 0.03 0.00 0.00 46.19 46.08 5at1 s LEU 235 CO 0.59 -0.69 0.96 1.51 0.23 0.00 0.00 176.35 178.94 5at1 s ASP 236 N -3.44 6.65 0.38 2.29 1.47 -1.26 -4.84 116.67 117.91 5at1 s ASP 236 Ca 0.35 1.54 0.20 0.00 1.18 0.00 0.00 52.55 55.83 5at1 s ASP 236 Cb 0.08 -2.49 1.23 0.00 -0.34 0.00 0.00 42.92 41.39 5at1 s ASP 236 CO 0.15 -0.55 1.65 -0.65 0.68 0.00 0.00 175.17 176.45 5at1 h PRO 237 N 1.05 0.21 0.00 2.11 0.11 -1.98 0.24 132.00 133.73 5at1 h PRO 237 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 5at1 h PRO 237 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 5at1 h PRO 237 CO 0.62 0.14 -0.18 0.43 -0.21 0.00 0.00 178.00 178.79 5at1 n SER 238 N -4.93 0.71 0.03 -2.05 7.64 -1.26 -2.16 113.62 111.59 5at1 n SER 238 Ca 0.34 0.42 -0.22 0.00 1.01 0.00 0.00 58.87 60.42 5at1 n SER 238 Cb 1.15 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 63.72 5at1 n SER 238 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 5at1 h GLU 239 N 0.00 0.29 0.23 1.43 4.81 -0.90 -3.25 114.58 117.18 5at1 h GLU 239 Ca 0.00 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 5at1 h GLU 239 Cb 0.71 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 5at1 h GLU 239 CO 0.00 1.23 -0.25 -0.92 -0.73 0.00 0.00 179.01 178.35 5at1 h TYR 240 N -0.20 -0.68 0.00 0.92 5.03 -1.10 -2.99 116.97 117.95 5at1 h TYR 240 Ca -0.31 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.01 5at1 h TYR 240 Cb 1.85 0.27 0.00 0.00 1.55 0.00 0.00 36.73 40.39 5at1 h TYR 240 CO 0.12 -0.32 0.00 0.00 -1.32 0.00 0.00 178.16 176.64 5at1 h ALA 241 N -1.32 1.00 -3.06 1.82 0.00 -1.62 -3.29 119.26 112.78 5at1 h ALA 241 Ca -0.03 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 5at1 h ALA 241 Cb 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.82 5at1 h ALA 241 CO -0.04 0.00 -0.38 1.21 0.00 0.00 0.00 179.25 180.04 5at1 s ASN 242 N -5.08 5.22 0.00 0.00 2.47 -1.13 -4.84 114.94 111.58 5at1 s ASN 242 Ca -0.02 -3.52 0.00 0.00 0.42 0.00 0.00 52.86 49.73 5at1 s ASN 242 Cb 0.11 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 38.14 5at1 s ASN 242 CO 0.42 -0.19 0.00 0.52 -3.72 0.00 0.00 177.10 174.13 5at1 n VAL 243 N 2.51 0.00 0.16 -5.21 0.31 -1.24 -4.71 118.33 110.15 5at1 n VAL 243 Ca 0.16 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.52 5at1 n VAL 243 Cb 0.36 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.52 5at1 n VAL 243 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 5at1 h LYS 244 N 0.00 0.00 0.00 5.55 1.79 -1.96 -3.44 116.57 118.51 5at1 h LYS 244 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 5at1 h LYS 244 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 5at1 h LYS 244 CO 0.00 0.48 0.00 0.00 -1.08 0.00 0.00 179.45 178.85 5at1 n ALA 245 N -2.31 0.00 0.00 3.86 0.00 -1.26 -5.19 120.51 115.60 5at1 n ALA 245 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 5at1 n ALA 245 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 5at1 n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 5at1 n GLN 246 N -2.34 -0.15 -2.84 0.00 1.13 -1.26 -4.81 117.38 107.11 5at1 n GLN 246 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 5at1 n GLN 246 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 5at1 n GLN 246 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 5at1 n PHE 247 N 0.47 1.30 -4.27 1.08 3.72 -1.26 -5.01 117.46 113.49 5at1 n PHE 247 Ca 0.00 -3.28 -0.31 0.00 -0.05 0.00 0.00 57.45 53.81 5at1 n PHE 247 Cb 0.00 -0.37 -0.09 0.00 -0.94 0.00 0.00 39.48 38.08 5at1 n PHE 247 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 5at1 s VAL 248 N -3.26 3.73 -0.10 -4.37 -7.23 -1.26 -4.86 120.40 103.05 5at1 s VAL 248 Ca 0.36 -0.96 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 5at1 s VAL 248 Cb 0.40 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 5at1 s VAL 248 CO -0.04 0.23 -0.00 -0.22 -0.31 0.00 0.00 175.10 174.75 5at1 s LEU 249 N -1.93 3.52 0.11 1.32 2.96 0.16 -4.98 118.68 119.83 5at1 s LEU 249 Ca 0.21 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 5at1 s LEU 249 Cb -0.11 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 5at1 s LEU 249 CO 0.13 0.33 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.23 5at1 s ARG 250 N -0.59 0.94 0.46 1.98 0.52 -1.26 -0.42 118.95 120.58 5at1 s ARG 250 Ca 0.10 -1.18 0.12 0.00 -0.52 0.00 0.00 55.73 54.24 5at1 s ARG 250 Cb -0.12 -0.76 1.05 0.00 0.52 0.00 0.00 34.95 35.64 5at1 s ARG 250 CO 0.02 0.14 2.09 0.00 0.02 0.00 0.00 175.30 177.57 5at1 h ALA 251 N 3.61 1.87 -0.60 2.13 0.00 -1.87 -0.63 119.26 123.76 5at1 h ALA 251 Ca -0.39 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.59 5at1 h ALA 251 Cb 1.19 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 5at1 h ALA 251 CO 0.50 0.11 0.25 0.66 0.00 0.00 0.00 179.25 180.78 5at1 h SER 252 N 0.30 0.29 -0.26 0.00 4.64 -1.97 -1.15 113.55 115.40 5at1 h SER 252 Ca 0.10 0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.56 5at1 h SER 252 Cb 0.02 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 5at1 h SER 252 CO -0.02 0.18 0.25 0.44 -0.87 0.00 0.00 176.83 176.81 5at1 h ASP 253 N 0.46 0.00 -0.04 4.97 3.32 -1.53 0.45 116.42 124.05 5at1 h ASP 253 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 5at1 h ASP 253 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 5at1 h ASP 253 CO -0.27 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.43 5at1 n LEU 254 N -3.95 0.55 0.00 1.55 4.77 -0.43 -4.23 117.00 115.26 5at1 n LEU 254 Ca 0.04 -0.22 0.10 0.00 -0.03 0.00 0.00 56.01 55.89 5at1 n LEU 254 Cb 0.40 -0.03 0.45 0.00 -2.33 0.00 0.00 43.42 41.91 5at1 n LEU 254 CO 0.30 0.11 0.82 1.41 -1.33 0.00 0.00 177.39 178.69 5at1 n HIS 255 N -0.46 0.00 0.51 -1.77 8.25 0.15 -1.18 115.22 120.72 5at1 n HIS 255 Ca 0.16 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 5at1 n HIS 255 Cb 0.16 -0.45 0.21 0.00 1.12 0.00 0.00 29.99 31.03 5at1 n HIS 255 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 5at1 n ASN 256 N -1.45 3.25 -4.79 0.41 4.13 -1.26 -5.00 115.26 110.56 5at1 n ASN 256 Ca 0.06 -1.97 -0.35 0.00 1.68 0.00 0.00 54.58 53.99 5at1 n ASN 256 Cb 0.22 -0.19 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 5at1 n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 5at1 s ALA 257 N -1.61 2.89 0.68 5.41 0.00 -0.32 -4.42 121.76 124.38 5at1 s ALA 257 Ca 0.37 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.87 5at1 s ALA 257 Cb 0.22 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 20.05 5at1 s ALA 257 CO 0.31 -0.43 1.23 0.15 0.00 0.00 0.00 175.76 177.02 5at1 s LYS 258 N -3.02 2.44 0.32 0.00 1.02 -1.26 -4.89 119.74 114.34 5at1 s LYS 258 Ca 0.66 1.87 0.02 0.00 0.02 0.00 0.00 55.97 58.54 5at1 s LYS 258 Cb -0.21 -1.86 0.58 0.00 -0.52 0.00 0.00 37.83 35.83 5at1 s LYS 258 CO 0.25 -1.63 1.94 0.00 -0.92 0.00 0.00 175.35 174.99 5at1 h ALA 259 N 0.21 1.55 -0.04 5.17 0.00 -1.95 -1.13 119.26 123.07 5at1 h ALA 259 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 5at1 h ALA 259 Cb 1.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.84 5at1 h ALA 259 CO 0.52 0.34 0.00 0.27 0.00 0.00 0.00 179.25 180.38 5at1 n ASN 260 N -4.47 0.36 -4.70 0.00 6.94 -1.26 -4.87 115.26 107.26 5at1 n ASN 260 Ca 0.12 -1.60 -0.42 0.00 -0.02 0.00 0.00 54.58 52.65 5at1 n ASN 260 Cb 0.17 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.53 5at1 n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 5at1 s MET 261 N -1.94 4.37 -0.05 -3.83 1.75 -0.43 -4.85 119.30 114.31 5at1 s MET 261 Ca 0.23 1.84 0.05 0.00 -1.25 0.00 0.00 55.69 56.56 5at1 s MET 261 Cb 0.11 -3.43 -0.02 0.00 2.84 0.00 0.00 34.83 34.33 5at1 s MET 261 CO 0.18 -0.39 -0.19 0.15 -0.65 0.00 0.00 175.02 174.12 5at1 s LYS 262 N 1.60 2.43 -0.20 4.11 -0.14 -0.51 -4.59 119.74 122.44 5at1 s LYS 262 Ca 0.60 -0.79 -0.16 0.00 -1.36 0.00 0.00 55.97 54.26 5at1 s LYS 262 Cb -0.30 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.55 5at1 s LYS 262 CO 0.27 0.56 0.43 0.08 -0.76 0.00 0.00 175.35 175.93 5at1 s VAL 263 N -0.58 5.18 0.10 3.17 1.01 -0.06 -0.66 120.40 128.56 5at1 s VAL 263 Ca 0.08 0.76 0.10 0.00 0.00 0.00 0.00 61.98 62.92 5at1 s VAL 263 Cb -0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 5at1 s VAL 263 CO 0.01 0.23 -0.24 -0.76 0.00 0.00 0.00 175.10 174.34 5at1 s LEU 264 N 1.41 2.41 -0.23 3.92 1.02 0.70 -1.96 118.68 125.94 5at1 s LEU 264 Ca 0.20 -0.63 -0.12 0.00 0.02 0.00 0.00 54.13 53.59 5at1 s LEU 264 Cb -0.15 -1.34 0.07 0.00 0.02 0.00 0.00 46.19 44.79 5at1 s LEU 264 CO 0.08 0.21 0.55 -2.28 0.02 0.00 0.00 176.35 174.93 5at1 s HIS 265 N -1.01 -0.87 0.29 0.29 2.46 -1.26 -1.05 115.29 114.15 5at1 s HIS 265 Ca 0.14 1.75 0.32 0.00 0.47 0.00 0.00 55.06 57.74 5at1 s HIS 265 Cb -0.10 0.47 1.74 0.00 -0.13 0.00 0.00 32.58 34.56 5at1 s HIS 265 CO 0.06 -0.45 1.97 -1.00 -2.47 0.00 0.00 174.74 172.85 5at1 h PRO 266 N 7.16 0.00 -3.56 2.88 0.13 -1.95 -3.46 132.00 133.21 5at1 h PRO 266 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 5at1 h PRO 266 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 5at1 h PRO 266 CO 0.21 0.00 -0.78 1.28 -0.23 0.00 0.00 178.00 178.49 5at1 n LEU 267 N -2.67 -1.68 -4.81 1.56 4.77 -1.26 -5.03 117.00 107.88 5at1 n LEU 267 Ca -0.02 2.51 -0.34 0.00 -0.03 0.00 0.00 56.01 58.12 5at1 n LEU 267 Cb 0.11 -2.94 -0.07 0.00 -2.33 0.00 0.00 43.42 38.20 5at1 n LEU 267 CO 0.14 0.03 0.66 -2.84 -1.33 0.00 0.00 177.39 174.04 5at1 s PRO 268 N -4.02 4.30 -0.23 3.23 0.02 -1.26 -5.08 135.00 131.96 5at1 s PRO 268 Ca 0.00 1.19 -0.00 0.00 0.02 0.00 0.00 61.00 62.21 5at1 s PRO 268 Cb 0.00 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.21 5at1 s PRO 268 CO 0.00 0.02 -0.11 0.50 -0.33 0.00 0.00 177.00 177.09 5at1 s ARG 269 N -2.89 2.87 0.00 5.54 3.00 -1.26 -4.75 118.95 121.46 5at1 s ARG 269 Ca 0.59 -0.94 0.00 0.00 -1.00 0.00 0.00 55.73 54.38 5at1 s ARG 269 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 34.95 31.98 5at1 s ARG 269 CO 0.16 -0.34 0.00 0.28 0.00 0.00 0.00 175.30 175.40 5at1 n VAL 270 N 4.64 0.00 -0.83 7.11 0.31 -1.26 -4.95 118.33 123.35 5at1 n VAL 270 Ca -0.18 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 5at1 n VAL 270 Cb 0.48 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 5at1 n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 5at1 n ASP 271 N -2.32 0.21 0.28 4.52 5.68 -1.26 -4.78 116.55 118.88 5at1 n ASP 271 Ca 0.00 -1.04 0.18 0.00 -0.50 0.00 0.00 54.79 53.43 5at1 n ASP 271 Cb 0.00 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 40.74 5at1 n ASP 271 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 5at1 h GLU 272 N 0.00 0.00 -4.27 0.11 9.09 -1.92 -3.39 114.58 114.20 5at1 h GLU 272 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 5at1 h GLU 272 Cb 0.52 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 27.25 5at1 h GLU 272 CO 0.00 0.00 -0.81 0.42 0.05 0.00 0.00 179.01 178.67 5at1 s ILE 273 N -3.72 1.08 0.37 -1.06 1.01 -1.26 0.36 121.20 117.98 5at1 s ILE 273 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 5at1 s ILE 273 Cb 0.10 -1.09 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 5at1 s ILE 273 CO 0.51 0.38 0.99 0.00 0.00 0.00 0.00 174.94 176.81 5at1 s ALA 274 N 1.69 3.14 0.47 9.38 0.00 0.44 -4.91 121.76 131.97 5at1 s ALA 274 Ca 0.05 0.57 0.40 0.00 0.00 0.00 0.00 51.96 52.99 5at1 s ALA 274 Cb -0.13 -3.21 1.38 0.00 0.00 0.00 0.00 23.12 21.16 5at1 s ALA 274 CO -0.08 0.02 1.28 2.41 0.00 0.00 0.00 175.76 179.39 5at1 n THR 275 N 0.16 0.00 0.96 0.00 -1.04 -1.26 -0.79 114.28 112.30 5at1 n THR 275 Ca 0.04 1.22 0.13 0.00 -2.04 0.00 0.00 64.05 63.40 5at1 n THR 275 Cb 0.50 -2.05 0.37 0.00 -1.82 0.00 0.00 70.33 67.33 5at1 n THR 275 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 5at1 n ASP 276 N -3.53 0.36 0.15 8.00 3.85 -1.26 -3.04 116.55 121.08 5at1 n ASP 276 Ca 0.36 0.05 0.02 0.00 -0.71 0.00 0.00 54.79 54.51 5at1 n ASP 276 Cb 1.65 -0.04 0.18 0.00 -1.35 0.00 0.00 41.12 41.56 5at1 n ASP 276 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 5at1 h VAL 277 N 0.00 1.07 -0.66 2.12 2.07 -1.33 -3.26 116.25 116.27 5at1 h VAL 277 Ca 0.00 -2.03 0.14 0.00 0.82 0.00 0.00 66.70 65.62 5at1 h VAL 277 Cb 0.53 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 5at1 h VAL 277 CO 0.00 0.51 0.45 0.44 0.02 0.00 0.00 177.57 178.99 5at1 h ASP 278 N 0.00 0.29 1.58 0.57 3.45 -1.68 0.20 116.42 120.83 5at1 h ASP 278 Ca -0.01 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 5at1 h ASP 278 Cb 1.16 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 5at1 h ASP 278 CO 0.07 0.16 -0.22 0.11 -1.57 0.00 0.00 179.24 177.78 5at1 h LYS 279 N 0.31 0.00 -7.04 3.56 6.56 -1.75 -3.45 116.57 114.75 5at1 h LYS 279 Ca 0.32 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.39 5at1 h LYS 279 Cb 0.81 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.56 5at1 h LYS 279 CO -0.08 0.00 0.50 0.99 -2.06 0.00 0.00 179.45 178.80 5at1 s THR 280 N -3.20 2.81 -0.72 -0.16 2.01 0.72 -4.93 115.64 112.17 5at1 s THR 280 Ca 0.07 0.57 0.08 0.00 0.31 0.00 0.00 61.69 62.72 5at1 s THR 280 Cb 0.09 -3.27 0.08 0.00 0.01 0.00 0.00 72.50 69.40 5at1 s THR 280 CO 0.67 -0.04 1.25 -0.81 -0.69 0.00 0.00 174.62 175.01 5at1 n PRO 281 N -0.90 0.05 0.02 4.92 -0.04 -1.26 -2.57 135.00 135.23 5at1 n PRO 281 Ca 0.10 0.54 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 5at1 n PRO 281 Cb 0.48 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.32 5at1 n PRO 281 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 5at1 n HIS 282 N -1.77 0.24 -2.51 0.54 8.25 -1.26 -4.83 115.22 113.87 5at1 n HIS 282 Ca -0.00 0.07 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 5at1 n HIS 282 Cb 0.02 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 5at1 n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 5at1 s ALA 283 N -3.16 3.43 -0.01 -1.41 0.00 -1.06 -0.88 121.76 118.66 5at1 s ALA 283 Ca 0.05 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.64 5at1 s ALA 283 Cb 0.15 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.81 5at1 s ALA 283 CO 0.79 -0.62 0.73 1.87 0.00 0.00 0.00 175.76 178.53 5at1 n TRP 284 N 4.80 0.00 0.14 0.00 -0.00 -0.83 -4.90 117.44 116.65 5at1 n TRP 284 Ca 0.10 -0.15 0.01 0.00 -0.00 0.00 0.00 57.50 57.46 5at1 n TRP 284 Cb 0.47 -0.03 0.13 0.00 -0.00 0.00 0.00 31.31 31.89 5at1 n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 5at1 h TYR 285 N 0.00 0.00 0.12 5.87 -0.00 -1.88 0.42 116.97 121.49 5at1 h TYR 285 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.46 5at1 h TYR 285 Cb 1.00 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.74 5at1 h TYR 285 CO 0.02 0.57 -1.21 0.74 -0.00 0.00 0.00 178.16 178.29 5at1 h PHE 286 N 0.00 0.57 -0.39 0.10 0.04 -1.91 -2.15 116.94 113.21 5at1 h PHE 286 Ca -0.01 -0.39 -0.11 0.00 2.80 0.00 0.00 57.97 60.26 5at1 h PHE 286 Cb 1.24 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.34 5at1 h PHE 286 CO 0.00 1.29 -0.20 1.96 -0.60 0.00 0.00 178.31 180.75 5at1 h GLN 287 N 0.11 0.75 -0.62 1.51 7.50 -1.86 -2.16 115.11 120.35 5at1 h GLN 287 Ca -0.14 -0.29 0.03 0.00 0.50 0.00 0.00 58.65 58.76 5at1 h GLN 287 Cb 1.91 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 29.36 5at1 h GLN 287 CO 0.20 0.89 0.37 0.37 -1.50 0.00 0.00 178.83 179.16 5at1 h GLN 288 N 0.66 0.70 -0.77 1.46 4.15 -0.84 -2.31 115.11 118.17 5at1 h GLN 288 Ca 0.10 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 5at1 h GLN 288 Cb 0.70 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 5at1 h GLN 288 CO 0.05 0.46 0.47 0.00 -1.93 0.00 0.00 178.83 177.88 5at1 h ALA 289 N 1.28 1.39 0.00 3.38 0.00 -0.78 -2.59 119.26 121.95 5at1 h ALA 289 Ca 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 5at1 h ALA 289 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 5at1 h ALA 289 CO -0.12 0.54 -0.15 0.78 0.00 0.00 0.00 179.25 180.29 5at1 h GLY 290 N 1.07 0.00 1.58 0.00 0.00 -0.94 -1.84 103.07 102.94 5at1 h GLY 290 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 5at1 h GLY 290 CO -0.05 0.00 -0.26 0.70 0.00 0.00 0.00 176.54 176.93 5at1 n ASN 291 N -3.28 0.45 -0.32 0.19 5.03 -0.91 -3.11 115.26 113.31 5at1 n ASN 291 Ca 0.01 0.26 0.14 0.00 0.87 0.00 0.00 54.58 55.85 5at1 n ASN 291 Cb 0.41 -0.24 0.37 0.00 -1.02 0.00 0.00 39.78 39.30 5at1 n ASN 291 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 5at1 h GLY 292 N 4.79 1.46 0.90 7.41 0.00 -1.24 -1.02 103.07 115.37 5at1 h GLY 292 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 5at1 h GLY 292 CO 0.00 -0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.19 5at1 h ILE 293 N 0.69 0.72 0.27 2.60 1.08 -1.68 -0.35 117.51 120.84 5at1 h ILE 293 Ca 0.53 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.98 5at1 h ILE 293 Cb 0.91 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 5at1 h ILE 293 CO -0.29 0.00 -0.13 -0.26 -0.69 0.00 0.00 178.15 176.78 5at1 h PHE 294 N -0.31 -0.34 -0.45 1.37 0.04 -1.55 -0.74 116.94 114.96 5at1 h PHE 294 Ca -0.01 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.83 5at1 h PHE 294 Cb 0.27 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 5at1 h PHE 294 CO -0.10 -0.07 0.30 0.00 -0.60 0.00 0.00 178.31 177.84 5at1 h ALA 295 N 0.08 2.06 0.07 2.45 0.00 -1.22 -1.79 119.26 120.92 5at1 h ALA 295 Ca -0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 5at1 h ALA 295 Cb 0.42 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.18 5at1 h ALA 295 CO 0.06 -0.16 -1.17 -0.09 0.00 0.00 0.00 179.25 177.89 5at1 h ARG 296 N 0.27 0.66 -0.62 0.00 9.65 -0.86 -3.13 114.38 120.36 5at1 h ARG 296 Ca 0.20 -0.81 0.02 0.00 -1.10 0.00 0.00 59.98 58.29 5at1 h ARG 296 Cb 0.45 0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 29.24 5at1 h ARG 296 CO -0.04 1.36 0.39 1.96 2.80 0.00 0.00 179.97 186.45 5at1 h GLN 297 N 0.33 0.76 -0.54 0.20 4.20 -0.59 -3.05 115.11 116.43 5at1 h GLN 297 Ca -0.17 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.59 5at1 h GLN 297 Cb 1.83 -0.17 -0.10 0.00 0.30 0.00 0.00 27.48 29.33 5at1 h GLN 297 CO 0.23 0.50 -0.40 0.00 -0.67 0.00 0.00 178.83 178.50 5at1 h ALA 298 N 1.25 -0.25 -0.00 3.87 0.00 -1.35 0.10 119.26 122.88 5at1 h ALA 298 Ca 0.24 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.30 5at1 h ALA 298 Cb -0.03 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 5at1 h ALA 298 CO -0.08 -0.78 -0.27 -0.07 0.00 0.00 0.00 179.25 178.05 5at1 h LEU 299 N -0.23 -0.80 -1.28 0.00 4.07 -1.54 0.12 115.31 115.66 5at1 h LEU 299 Ca 0.19 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.20 5at1 h LEU 299 Cb 0.56 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 5at1 h LEU 299 CO -0.65 -0.34 -0.13 -0.07 -1.08 0.00 0.00 178.44 176.17 5at1 h LEU 300 N -0.41 0.32 0.20 1.67 3.38 -1.27 -0.27 115.31 118.93 5at1 h LEU 300 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 5at1 h LEU 300 Cb 0.50 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 5at1 h LEU 300 CO -0.24 0.48 -0.10 0.00 0.09 0.00 0.00 178.44 178.68 5at1 h ALA 301 N 1.56 -0.27 -0.45 1.53 0.00 -0.11 -2.77 119.26 118.75 5at1 h ALA 301 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.77 5at1 h ALA 301 Cb 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 5at1 h ALA 301 CO 0.02 -0.41 0.30 -0.07 0.00 0.00 0.00 179.25 179.09 5at1 h LEU 302 N -0.76 0.50 -0.40 0.00 3.38 -0.47 0.25 115.31 117.81 5at1 h LEU 302 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 5at1 h LEU 302 Cb 0.51 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 5at1 h LEU 302 CO 0.05 0.36 0.16 0.58 0.09 0.00 0.00 178.44 179.68 5at1 h VAL 303 N 0.60 1.20 0.00 1.22 2.07 -1.15 -3.27 116.25 116.91 5at1 h VAL 303 Ca 0.17 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.08 5at1 h VAL 303 Cb -0.05 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 5at1 h VAL 303 CO -0.05 0.22 -0.81 -0.07 0.02 0.00 0.00 177.57 176.89 5at1 h LEU 304 N 0.51 0.00 -8.78 2.57 3.38 -1.37 0.16 115.31 111.78 5at1 h LEU 304 Ca 0.13 -0.02 -0.64 0.00 0.09 0.00 0.00 57.88 57.45 5at1 h LEU 304 Cb 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.73 5at1 h LEU 304 CO -0.01 0.01 -0.65 0.20 0.09 0.00 0.00 178.44 178.08 5at1 s ASN 305 N -5.40 4.90 0.15 -0.43 0.01 0.06 -4.96 114.94 109.27 5at1 s ASN 305 Ca 0.01 -0.15 -0.15 0.00 -0.71 0.00 0.00 52.86 51.86 5at1 s ASN 305 Cb 0.09 -1.83 0.02 0.00 0.41 0.00 0.00 41.25 39.95 5at1 s ASN 305 CO 0.77 0.10 1.70 -0.09 -1.51 0.00 0.00 177.10 178.07 5at1 h ARG 306 N 7.20 0.69 -4.94 -0.60 1.12 -1.87 -3.42 114.38 112.55 5at1 h ARG 306 Ca -0.35 -0.12 -0.37 0.00 -1.11 0.00 0.00 59.98 58.03 5at1 h ARG 306 Cb 1.18 -0.11 -0.24 0.00 -0.01 0.00 0.00 29.97 30.79 5at1 h ARG 306 CO 0.62 0.62 -0.77 -0.51 -3.11 0.00 0.00 179.97 176.82 5at1 s ASP 307 N -5.92 1.26 -0.08 -3.80 1.01 -1.26 -0.00 116.67 107.88 5at1 s ASP 307 Ca -0.13 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.70 5at1 s ASP 307 Cb 0.11 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 44.00 5at1 s ASP 307 CO 0.76 -0.04 -0.08 -0.76 0.21 0.00 0.00 175.17 175.27 5at1 s LEU 308 N -1.14 1.35 -0.16 1.23 1.43 -1.26 -5.01 118.68 115.12 5at1 s LEU 308 Ca -0.02 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 5at1 s LEU 308 Cb -0.08 -0.72 0.04 0.00 0.03 0.00 0.00 46.19 45.46 5at1 s LEU 308 CO 0.01 -0.05 -0.06 -0.69 0.23 0.00 0.00 176.35 175.79 5at1 s VAL 309 N 1.15 1.10 0.00 -1.59 1.01 -1.26 -5.14 120.40 115.68 5at1 s VAL 309 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.34 5at1 s VAL 309 Cb -0.14 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.98 5at1 s VAL 309 CO -0.02 0.16 0.26 0.18 0.00 0.00 0.00 175.10 175.69