#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sku s ASN 2 N 0.00 -0.78 -0.12 0.00 4.22 -1.26 -4.47 114.94 112.53 1sku s ASN 2 Ca 0.00 0.86 -0.16 0.00 -2.14 0.00 0.00 52.86 51.43 1sku s ASN 2 Cb 0.00 1.80 -0.14 0.00 1.28 0.00 0.00 41.25 44.19 1sku s ASN 2 CO 0.00 -0.15 0.43 -0.65 -2.04 0.00 0.00 177.10 174.69 1sku h PRO 3 N 7.75 -0.01 -0.60 3.55 0.11 -1.94 -3.40 132.00 137.47 1sku h PRO 3 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1sku h PRO 3 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1sku h PRO 3 CO 0.08 0.52 0.00 1.28 -0.21 0.00 0.00 178.00 179.67 1sku n LEU 4 N -4.70 5.56 -4.69 2.35 4.77 -1.26 -4.91 117.00 114.12 1sku n LEU 4 Ca -0.05 -2.83 -0.42 0.00 -0.03 0.00 0.00 56.01 52.67 1sku n LEU 4 Cb 0.26 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1sku n LEU 4 CO 0.19 0.67 0.94 -0.47 -1.33 0.00 0.00 177.39 177.39 1sku s TYR 5 N -2.56 3.22 -1.47 -1.77 5.04 -1.23 -3.42 117.35 115.15 1sku s TYR 5 Ca 0.54 1.25 -0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1sku s TYR 5 Cb 0.40 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 39.31 1sku s TYR 5 CO 0.18 -1.23 0.49 0.94 -1.34 0.00 0.00 175.55 174.60 1sku n GLN 6 N 5.14 -4.15 -2.30 4.97 -0.06 -1.14 -5.00 117.38 114.84 1sku n GLN 6 Ca 0.11 0.86 -0.25 0.00 -2.00 0.00 0.00 57.00 55.71 1sku n GLN 6 Cb 0.46 -5.56 0.08 0.00 -4.06 0.00 0.00 30.24 21.17 1sku n GLN 6 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1sku s LYS 7 N -5.52 2.07 -0.06 3.69 -0.14 -1.22 -4.84 119.74 113.72 1sku s LYS 7 Ca 0.24 -0.46 -0.06 0.00 -1.36 0.00 0.00 55.97 54.34 1sku s LYS 7 Cb -0.11 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 1sku s LYS 7 CO 0.30 -1.27 0.27 1.12 -0.76 0.00 0.00 175.35 175.01 1sku h HIS 8 N -0.56 -0.20 -5.78 3.18 2.07 -1.92 -3.40 115.15 108.54 1sku h HIS 8 Ca -0.43 -0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 56.93 1sku h HIS 8 Cb 1.30 0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.35 1sku h HIS 8 CO 0.16 -0.12 -0.55 -0.89 -3.07 0.00 0.00 177.93 173.46 1sku n ILE 9 N -4.48 -8.25 -0.01 6.12 -0.00 -1.26 -4.15 119.36 107.32 1sku n ILE 9 Ca -0.03 0.21 -0.02 0.00 -0.00 0.00 0.00 62.75 62.91 1sku n ILE 9 Cb 0.08 -5.80 -0.01 0.00 -0.00 0.00 0.00 39.64 33.92 1sku n ILE 9 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1sku n ILE 10 N -1.21 0.12 -4.16 1.39 2.08 -1.26 -2.56 119.36 113.76 1sku n ILE 10 Ca -0.03 -0.04 -0.11 0.00 0.56 0.00 0.00 62.75 63.13 1sku n ILE 10 Cb 0.55 -1.19 -0.10 0.00 -0.75 0.00 0.00 39.64 38.15 1sku n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1sku s SER 11 N -4.85 1.13 0.46 4.38 0.15 -1.26 -4.68 113.70 109.03 1sku s SER 11 Ca -0.03 -0.95 0.26 0.00 0.70 0.00 0.00 55.95 55.93 1sku s SER 11 Cb 0.01 0.08 0.91 0.00 -1.71 0.00 0.00 66.02 65.32 1sku s SER 11 CO 0.04 -0.43 1.82 -0.29 1.20 0.00 0.00 173.24 175.58 1sku h ILE 12 N 3.15 0.31 0.00 6.45 6.09 -1.93 -3.12 117.51 128.45 1sku h ILE 12 Ca -0.35 -0.99 -0.05 0.00 -1.37 0.00 0.00 64.86 62.09 1sku h ILE 12 Cb 1.17 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 40.22 1sku h ILE 12 CO 0.62 0.14 -0.26 0.78 -3.07 0.00 0.00 178.15 176.35 1sku h ASN 13 N 0.00 0.00 0.65 2.19 4.21 -1.98 -2.74 115.58 117.91 1sku h ASN 13 Ca -0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.35 1sku h ASN 13 Cb 0.76 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 1sku h ASN 13 CO 0.02 0.26 -0.72 0.44 -1.29 0.00 0.00 177.43 176.14 1sku h ASP 14 N 0.00 0.07 -3.34 5.81 3.45 -1.98 -3.44 116.42 116.99 1sku h ASP 14 Ca -0.00 -0.05 -0.55 0.00 0.43 0.00 0.00 57.03 56.86 1sku h ASP 14 Cb 0.48 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.20 1sku h ASP 14 CO 0.03 0.76 0.39 -0.76 -1.57 0.00 0.00 179.24 178.10 1sku s LEU 15 N -7.47 4.29 0.00 1.55 1.02 -1.03 -5.06 118.68 111.98 1sku s LEU 15 Ca -0.01 1.48 -0.00 0.00 0.02 0.00 0.00 54.13 55.61 1sku s LEU 15 Cb 0.12 -3.44 0.01 0.00 0.02 0.00 0.00 46.19 42.90 1sku s LEU 15 CO 0.79 -0.32 0.09 -0.24 0.02 0.00 0.00 176.35 176.68 1sku n SER 16 N 4.43 0.11 -0.05 2.29 2.88 -1.26 -4.86 113.62 117.15 1sku n SER 16 Ca 0.06 -1.09 -0.04 0.00 -1.33 0.00 0.00 58.87 56.47 1sku n SER 16 Cb 0.50 -0.06 0.19 0.00 -0.75 0.00 0.00 64.21 64.09 1sku n SER 16 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1sku h ARG 17 N 0.00 0.65 0.00 -1.46 2.47 -1.97 -2.45 114.38 111.62 1sku h ARG 17 Ca -0.03 -0.20 -0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1sku h ARG 17 Cb 0.10 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1sku h ARG 17 CO 0.03 0.74 -0.18 -0.44 0.56 0.00 0.00 179.97 180.68 1sku h ASP 18 N 0.59 0.00 0.33 7.04 5.19 -1.99 -2.83 116.42 124.75 1sku h ASP 18 Ca 0.11 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.19 1sku h ASP 18 Cb 0.53 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.07 1sku h ASP 18 CO 0.03 0.18 -1.49 0.44 -3.12 0.00 0.00 179.24 175.28 1sku h ASP 19 N 0.00 0.72 0.12 6.45 3.32 -1.81 -3.11 116.42 122.11 1sku h ASP 19 Ca -0.00 -0.82 -0.15 0.00 0.02 0.00 0.00 57.03 56.08 1sku h ASP 19 Cb 0.79 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1sku h ASP 19 CO 0.02 1.65 -0.52 -0.07 -1.72 0.00 0.00 179.24 178.60 1sku h LEU 20 N 0.13 0.50 -0.55 1.55 3.38 -1.51 -3.03 115.31 115.78 1sku h LEU 20 Ca -0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1sku h LEU 20 Cb 2.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 1sku h LEU 20 CO 0.25 0.93 -0.14 0.78 0.09 0.00 0.00 178.44 180.35 1sku h ASN 21 N 0.35 0.00 0.89 -0.43 2.35 -1.60 -2.41 115.58 114.73 1sku h ASN 21 Ca 0.01 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.53 1sku h ASN 21 Cb 1.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 1sku h ASN 21 CO 0.09 0.14 -1.06 0.25 -1.65 0.00 0.00 177.43 175.20 1sku h LEU 22 N 0.00 0.12 0.06 1.61 5.85 -1.49 -2.70 115.31 118.76 1sku h LEU 22 Ca -0.00 -0.13 -0.24 0.00 0.84 0.00 0.00 57.88 58.34 1sku h LEU 22 Cb 0.91 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1sku h LEU 22 CO 0.02 1.09 -1.16 0.58 -0.34 0.00 0.00 178.44 178.64 1sku h VAL 23 N 0.02 1.56 -0.01 1.05 2.07 -1.47 -2.50 116.25 116.98 1sku h VAL 23 Ca -0.04 -3.22 -0.24 0.00 0.82 0.00 0.00 66.70 64.02 1sku h VAL 23 Cb 1.81 2.87 0.01 0.00 -1.52 0.00 0.00 31.29 34.46 1sku h VAL 23 CO 0.15 0.92 -0.96 -0.07 0.02 0.00 0.00 177.57 177.63 1sku h LEU 24 N 0.03 0.68 -0.49 2.57 3.38 -1.54 -2.04 115.31 117.91 1sku h LEU 24 Ca -0.08 -0.54 -0.17 0.00 0.09 0.00 0.00 57.88 57.18 1sku h LEU 24 Cb 1.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1sku h LEU 24 CO 0.16 1.33 -0.68 0.00 0.09 0.00 0.00 178.44 179.34 1sku h ALA 25 N 0.63 0.68 0.00 1.53 0.00 -1.58 -2.40 119.26 118.12 1sku h ALA 25 Ca -0.09 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1sku h ALA 25 Cb 1.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1sku h ALA 25 CO 0.18 0.75 -0.57 1.15 0.00 0.00 0.00 179.25 180.76 1sku h THR 26 N 0.25 1.15 0.00 0.00 2.02 -1.50 -2.61 112.91 112.22 1sku h THR 26 Ca -0.02 -2.16 -0.15 0.00 0.77 0.00 0.00 66.41 64.85 1sku h THR 26 Cb 1.23 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 1sku h THR 26 CO 0.11 0.56 -0.73 0.00 0.37 0.00 0.00 175.52 175.83 1sku h ALA 27 N 1.43 0.70 0.00 6.16 0.00 -1.27 -2.40 119.26 123.88 1sku h ALA 27 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1sku h ALA 27 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1sku h ALA 27 CO 0.07 0.91 -0.09 0.00 0.00 0.00 0.00 179.25 180.15 1sku h ALA 28 N 1.27 0.95 0.07 0.00 0.00 -1.37 -2.99 119.26 117.20 1sku h ALA 28 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1sku h ALA 28 Cb 1.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1sku h ALA 28 CO 0.09 0.00 -1.90 1.63 0.00 0.00 0.00 179.25 179.07 1sku n LYS 29 N -2.96 0.71 0.14 0.00 4.01 -0.99 -2.90 118.16 116.17 1sku n LYS 29 Ca 0.04 0.27 0.04 0.00 -0.51 0.00 0.00 58.31 58.15 1sku n LYS 29 Cb 0.52 -1.74 0.04 0.00 -0.51 0.00 0.00 35.03 33.34 1sku n LYS 29 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1sku h LEU 30 N 0.04 0.00 -0.23 -0.35 3.38 -1.56 -1.35 115.31 115.24 1sku h LEU 30 Ca -0.38 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.46 1sku h LEU 30 Cb 2.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.78 1sku h LEU 30 CO 0.08 0.42 -0.37 0.50 0.09 0.00 0.00 178.44 179.16 1sku h LYS 31 N 0.00 0.66 0.00 1.13 3.64 -1.67 -2.30 116.57 118.04 1sku h LYS 31 Ca -0.02 -0.40 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1sku h LYS 31 Cb 1.33 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1sku h LYS 31 CO 0.05 1.02 -0.02 0.00 -2.27 0.00 0.00 179.45 178.23 1sku h ALA 32 N 0.64 0.99 -1.47 5.00 0.00 -1.52 -3.40 119.26 119.50 1sku h ALA 32 Ca 0.02 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1sku h ALA 32 Cb 0.96 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.51 1sku h ALA 32 CO 0.09 0.03 -0.61 1.21 0.00 0.00 0.00 179.25 179.96 1sku s ASN 33 N -5.95 -0.33 0.33 0.00 3.04 -0.51 -5.08 114.94 106.44 1sku s ASN 33 Ca 0.04 -1.71 -0.29 0.00 0.04 0.00 0.00 52.86 50.93 1sku s ASN 33 Cb 0.07 1.19 -0.11 0.00 -1.54 0.00 0.00 41.25 40.86 1sku s ASN 33 CO 0.60 -0.15 1.45 -2.84 -3.04 0.00 0.00 177.10 173.13 1sku s PRO 34 N 1.09 4.20 -0.53 0.43 0.02 -0.87 -4.34 135.00 134.99 1sku s PRO 34 Ca 0.24 2.44 0.03 0.00 0.02 0.00 0.00 61.00 63.73 1sku s PRO 34 Cb -0.04 -3.03 0.14 0.00 0.02 0.00 0.00 34.50 31.59 1sku s PRO 34 CO -0.07 -0.44 0.29 -0.65 -0.33 0.00 0.00 177.00 175.79 1sku s GLN 35 N -1.47 2.08 0.00 5.54 -0.21 -1.26 -4.98 119.66 119.36 1sku s GLN 35 Ca 0.55 -2.59 0.13 0.00 0.02 0.00 0.00 55.36 53.47 1sku s GLN 35 Cb -0.44 -3.40 0.79 0.00 1.00 0.00 0.00 33.01 30.97 1sku s GLN 35 CO 0.55 -1.12 1.37 -0.35 -2.12 0.00 0.00 175.29 173.62 1sku n PRO 36 N 3.21 0.82 -1.80 2.91 -0.04 -1.26 -3.27 135.00 135.57 1sku n PRO 36 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1sku n PRO 36 Cb 0.33 -1.26 0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1sku n PRO 36 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sku n GLU 37 N -0.76 1.15 -0.01 0.54 4.07 -1.10 -2.82 120.64 121.71 1sku n GLU 37 Ca 0.10 -2.89 -0.10 0.00 -0.06 0.00 0.00 57.16 54.22 1sku n GLU 37 Cb 0.05 -0.98 -0.08 0.00 -0.06 0.00 0.00 31.44 30.37 1sku n GLU 37 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1sku h LEU 38 N 1.60 -0.07 -3.80 4.31 6.46 -1.19 -3.34 115.31 119.27 1sku h LEU 38 Ca -0.10 -0.51 -0.54 0.00 -0.12 0.00 0.00 57.88 56.61 1sku h LEU 38 Cb 1.53 0.02 -0.24 0.00 -0.73 0.00 0.00 40.66 41.24 1sku h LEU 38 CO 0.18 0.62 0.70 0.18 -0.62 0.00 0.00 178.44 179.50 1sku n LEU 39 N -4.78 7.12 -4.77 2.25 4.32 -0.99 -4.99 117.00 115.15 1sku n LEU 39 Ca -0.07 -3.85 -0.38 0.00 -0.02 0.00 0.00 56.01 51.69 1sku n LEU 39 Cb 0.28 -0.97 -0.03 0.00 -1.62 0.00 0.00 43.42 41.08 1sku n LEU 39 CO 0.23 1.32 0.80 -0.75 -1.22 0.00 0.00 177.39 177.77 1sku s LYS 40 N -3.10 4.17 -1.60 3.23 2.47 -1.26 -2.97 119.74 120.68 1sku s LYS 40 Ca 0.53 1.72 -0.01 0.00 -1.56 0.00 0.00 55.97 56.65 1sku s LYS 40 Cb 0.42 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 34.09 1sku s LYS 40 CO 0.01 -0.18 0.14 0.72 0.16 0.00 0.00 175.35 176.19 1sku n HIS 41 N 0.18 -1.14 -3.86 4.03 8.25 -1.26 -5.01 115.22 116.42 1sku n HIS 41 Ca 0.04 0.12 -0.23 0.00 -0.26 0.00 0.00 57.72 57.39 1sku n HIS 41 Cb 0.47 -3.87 -0.17 0.00 1.12 0.00 0.00 29.99 27.54 1sku n HIS 41 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1sku s LYS 42 N -5.12 0.80 0.05 -0.41 2.20 -1.16 -5.08 119.74 111.01 1sku s LYS 42 Ca 0.07 0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 55.56 1sku s LYS 42 Cb -0.03 -1.05 -0.06 0.00 -1.51 0.00 0.00 37.83 35.18 1sku s LYS 42 CO 0.09 -0.26 0.43 0.08 -0.36 0.00 0.00 175.35 175.33 1sku s VAL 43 N 1.76 5.01 -0.07 4.02 1.01 -1.26 -3.10 120.40 127.77 1sku s VAL 43 Ca 0.02 0.72 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1sku s VAL 43 Cb -0.13 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1sku s VAL 43 CO -0.05 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.78 1sku s ILE 44 N -1.25 0.81 0.37 2.22 1.01 -1.14 -2.25 121.20 120.97 1sku s ILE 44 Ca 0.29 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 1sku s ILE 44 Cb -0.16 -0.81 -0.10 0.00 0.01 0.00 0.00 42.46 41.40 1sku s ILE 44 CO 0.16 0.30 0.89 0.00 0.00 0.00 0.00 174.94 176.29 1sku s ALA 45 N 1.12 3.16 -0.61 9.38 0.00 -0.56 -3.00 121.76 131.25 1sku s ALA 45 Ca -0.07 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1sku s ALA 45 Cb -0.14 -3.06 0.17 0.00 0.00 0.00 0.00 23.12 20.09 1sku s ALA 45 CO -0.01 0.19 0.45 0.45 0.00 0.00 0.00 175.76 176.84 1sku s SER 46 N -2.02 3.77 -1.25 0.00 0.15 -1.00 -1.79 113.70 111.55 1sku s SER 46 Ca 0.56 -3.62 -0.13 0.00 0.70 0.00 0.00 55.95 53.46 1sku s SER 46 Cb -0.12 -1.26 0.15 0.00 -1.71 0.00 0.00 66.02 63.08 1sku s SER 46 CO 0.17 -0.11 1.63 0.00 1.20 0.00 0.00 173.24 176.13 1sku s PHE 48 N 1.71 2.72 0.07 0.00 0.40 -1.07 -2.80 117.98 119.01 1sku s PHE 48 Ca 0.44 -0.83 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 1sku s PHE 48 Cb 0.02 -4.46 -0.11 0.00 0.51 0.00 0.00 43.02 38.99 1sku s PHE 48 CO 0.01 -1.75 1.41 0.74 0.70 0.00 0.00 175.22 176.33 1sku h PHE 49 N 9.47 0.61 -3.36 0.36 -1.00 -1.20 -3.19 116.94 118.63 1sku h PHE 49 Ca -0.00 -0.17 -0.56 0.00 2.81 0.00 0.00 57.97 60.05 1sku h PHE 49 Cb 1.03 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 40.40 1sku h PHE 49 CO 1.15 0.82 0.06 -2.00 -1.61 0.00 0.00 178.31 176.72 1sku s GLU 50 N -4.46 4.42 -0.74 1.51 2.12 -0.72 -4.21 118.70 116.62 1sku s GLU 50 Ca -0.13 0.82 -0.26 0.00 0.36 0.00 0.00 54.97 55.75 1sku s GLU 50 Cb 0.07 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 31.03 1sku s GLU 50 CO 0.78 0.08 1.44 0.00 -0.54 0.00 0.00 175.26 177.02 1sku s ALA 51 N 0.78 2.58 -0.20 6.30 0.00 -1.24 -4.85 121.76 125.14 1sku s ALA 51 Ca 0.36 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1sku s ALA 51 Cb -0.17 -4.30 -0.00 0.00 0.00 0.00 0.00 23.12 18.64 1sku s ALA 51 CO 0.17 -3.50 -0.10 0.45 0.00 0.00 0.00 175.76 172.78 1sku s SER 52 N 4.95 3.95 -0.15 0.00 0.15 -1.26 -5.04 113.70 116.30 1sku s SER 52 Ca 0.44 -0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.39 1sku s SER 52 Cb -0.08 -1.65 -0.22 0.00 -1.71 0.00 0.00 66.02 62.35 1sku s SER 52 CO 0.13 0.01 0.59 0.74 1.20 0.00 0.00 173.24 175.92 1sku h THR 53 N 5.72 1.47 -0.14 6.45 2.02 -2.00 -3.20 112.91 123.23 1sku h THR 53 Ca -0.40 -2.18 -0.12 0.00 0.77 0.00 0.00 66.41 64.48 1sku h THR 53 Cb 1.16 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 70.42 1sku h THR 53 CO 0.60 0.50 -0.43 0.08 0.37 0.00 0.00 175.52 176.64 1sku h ARG 54 N -1.00 0.33 0.02 6.66 0.11 -1.99 -3.05 114.38 115.45 1sku h ARG 54 Ca -0.06 -0.17 -0.20 0.00 0.10 0.00 0.00 59.98 59.65 1sku h ARG 54 Cb 0.96 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.02 1sku h ARG 54 CO -0.04 0.71 -0.93 1.15 0.10 0.00 0.00 179.97 180.96 1sku h THR 55 N 0.28 1.57 -0.02 0.08 2.02 -1.99 -2.68 112.91 112.17 1sku h THR 55 Ca 0.02 -2.91 -0.17 0.00 0.77 0.00 0.00 66.41 64.13 1sku h THR 55 Cb 0.87 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1sku h THR 55 CO 0.07 0.84 -0.74 -0.09 0.37 0.00 0.00 175.52 175.97 1sku h ARG 56 N 0.05 0.14 0.00 6.66 2.43 -1.55 -2.98 114.38 119.13 1sku h ARG 56 Ca -0.04 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1sku h ARG 56 Cb 1.60 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1sku h ARG 56 CO 0.13 0.82 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.74 1sku h LEU 57 N 0.09 0.00 0.00 3.80 3.38 -1.54 -1.47 115.31 119.57 1sku h LEU 57 Ca -0.02 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1sku h LEU 57 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1sku h LEU 57 CO 0.11 0.03 -0.60 -1.28 0.09 0.00 0.00 178.44 176.78 1sku h SER 58 N 0.00 0.00 0.07 -0.43 0.87 -1.52 -2.76 113.55 109.78 1sku h SER 58 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1sku h SER 58 Cb 0.92 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1sku h SER 58 CO 0.00 0.60 -0.89 -0.26 -0.53 0.00 0.00 176.83 175.75 1sku h PHE 59 N 0.00 0.27 0.00 2.24 0.04 -1.52 -3.23 116.94 114.75 1sku h PHE 59 Ca -0.01 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1sku h PHE 59 Cb 1.46 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.60 1sku h PHE 59 CO 0.00 1.35 -0.03 0.93 -0.60 0.00 0.00 178.31 179.96 1sku h GLU 60 N -0.62 0.00 -0.11 1.51 5.08 -1.40 -1.89 114.58 117.15 1sku h GLU 60 Ca -0.20 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1sku h GLU 60 Cb 1.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.71 1sku h GLU 60 CO 0.02 0.03 -0.49 1.15 -1.00 0.00 0.00 179.01 178.72 1sku h THR 61 N 0.00 1.37 0.00 1.13 2.02 -1.64 -2.82 112.91 112.96 1sku h THR 61 Ca -0.00 -1.81 -0.05 0.00 0.77 0.00 0.00 66.41 65.32 1sku h THR 61 Cb 0.65 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1sku h THR 61 CO 0.00 0.54 -0.26 0.28 0.37 0.00 0.00 175.52 176.46 1sku h SER 62 N 0.12 0.00 -0.02 4.18 0.02 -1.47 0.68 113.55 117.06 1sku h SER 62 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1sku h SER 62 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 1sku h SER 62 CO 0.10 0.26 -0.02 0.24 -1.14 0.00 0.00 176.83 176.27 1sku h MET 63 N 0.00 0.05 0.00 3.45 2.07 -1.41 -3.19 114.93 115.90 1sku h MET 63 Ca -0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1sku h MET 63 Cb 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 1sku h MET 63 CO 0.03 0.53 0.00 0.45 1.07 0.00 0.00 176.91 178.99 1sku h HIS 64 N -0.43 0.00 0.00 -0.22 3.86 -1.25 -2.18 115.15 114.93 1sku h HIS 64 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1sku h HIS 64 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1sku h HIS 64 CO 0.10 0.00 -0.27 -0.09 0.86 0.00 0.00 177.93 178.53 1sku h ARG 65 N 0.00 0.00 -0.01 2.45 9.65 -0.86 -3.07 114.38 122.54 1sku h ARG 65 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1sku h ARG 65 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1sku h ARG 65 CO 0.00 0.27 -0.43 1.28 2.80 0.00 0.00 179.97 183.88 1sku n LEU 66 N -3.18 1.75 0.00 3.80 4.77 -1.14 -4.00 117.00 119.00 1sku n LEU 66 Ca 0.03 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1sku n LEU 66 Cb 0.62 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1sku n LEU 66 CO 0.37 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1sku n GLY 67 N 1.40 0.91 3.87 -0.72 0.00 -1.13 -1.33 105.19 108.20 1sku n GLY 67 Ca 0.10 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1sku n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sku s ALA 68 N -2.00 3.31 0.66 4.61 0.00 -0.83 -4.30 121.76 123.21 1sku s ALA 68 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 1sku s ALA 68 Cb 0.00 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1sku s ALA 68 CO 0.00 -0.01 0.97 -1.54 0.00 0.00 0.00 175.76 175.19 1sku s SER 69 N -3.07 5.18 -0.00 0.00 1.04 -1.18 -4.03 113.70 111.63 1sku s SER 69 Ca 0.52 0.60 0.01 0.00 0.48 0.00 0.00 55.95 57.57 1sku s SER 69 Cb -0.10 -1.41 -0.00 0.00 0.10 0.00 0.00 66.02 64.61 1sku s SER 69 CO 0.30 -1.36 -0.03 -0.69 0.98 0.00 0.00 173.24 172.44 1sku s VAL 70 N -3.15 0.21 -0.24 5.02 1.01 -1.26 -2.91 120.40 119.07 1sku s VAL 70 Ca 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1sku s VAL 70 Cb -0.11 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.18 1sku s VAL 70 CO 0.45 0.06 0.11 0.68 0.00 0.00 0.00 175.10 176.40 1sku s VAL 71 N -0.04 -0.02 0.05 2.92 -7.23 -1.16 -5.00 120.40 109.92 1sku s VAL 71 Ca 0.01 -0.56 -0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1sku s VAL 71 Cb -0.01 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 1sku s VAL 71 CO -0.00 -0.55 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.38 1sku s GLY 72 N 2.09 0.44 0.16 2.32 0.00 -1.26 -2.38 107.32 108.69 1sku s GLY 72 Ca 0.06 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1sku s GLY 72 CO -0.26 -1.16 -0.06 -0.11 0.00 0.00 0.00 173.10 171.51 1sku s PHE 73 N -3.25 1.24 -0.22 1.90 -0.12 -1.13 -4.97 117.98 111.42 1sku s PHE 73 Ca 0.02 -0.87 -0.03 0.00 -0.05 0.00 0.00 56.93 55.99 1sku s PHE 73 Cb 0.03 -0.68 0.10 0.00 -0.63 0.00 0.00 43.02 41.85 1sku s PHE 73 CO -0.07 -0.05 0.23 0.45 -0.05 0.00 0.00 175.22 175.74 1sku s SER 74 N -3.17 1.50 -0.02 1.98 0.15 -1.26 -2.61 113.70 110.27 1sku s SER 74 Ca 0.19 -0.34 -0.23 0.00 0.70 0.00 0.00 55.95 56.27 1sku s SER 74 Cb 0.04 0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1sku s SER 74 CO 0.02 -0.34 0.70 -1.81 1.20 0.00 0.00 173.24 173.01 1sku s ASP 75 N 2.33 7.07 -1.22 5.45 1.01 -1.20 -5.00 116.67 125.10 1sku s ASP 75 Ca 0.08 1.28 -0.11 0.00 0.71 0.00 0.00 52.55 54.50 1sku s ASP 75 Cb -0.15 -2.42 0.19 0.00 1.01 0.00 0.00 42.92 41.54 1sku s ASP 75 CO -0.16 -0.03 1.55 -1.54 0.21 0.00 0.00 175.17 175.20 1sku n SER 76 N 3.24 5.27 -2.87 0.27 3.41 -1.26 -3.72 113.62 117.95 1sku n SER 76 Ca -0.03 -3.05 -0.02 0.00 -0.26 0.00 0.00 58.87 55.52 1sku n SER 76 Cb 0.51 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1sku n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sku n ALA 77 N 4.63 -3.05 -2.53 7.33 0.00 -1.26 -5.05 120.51 120.58 1sku n ALA 77 Ca 0.36 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1sku n ALA 77 Cb 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1sku n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sku n ASN 78 N 0.76 0.00 -0.35 0.00 3.02 -1.26 -4.80 115.26 112.62 1sku n ASN 78 Ca 0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1sku n ASN 78 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1sku n ASN 78 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sku n THR 79 N -0.87 0.00 -2.50 3.41 -1.04 -1.26 -5.02 114.28 107.00 1sku n THR 79 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1sku n THR 79 Cb 0.00 -1.04 -0.02 0.00 -1.82 0.00 0.00 70.33 67.44 1sku n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1sku s SER 80 N -2.70 7.02 -1.28 8.00 1.04 -1.26 -3.95 113.70 120.57 1sku s SER 80 Ca 0.00 1.65 -0.08 0.00 0.48 0.00 0.00 55.95 58.00 1sku s SER 80 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1sku s SER 80 CO 0.00 -0.68 1.12 0.18 0.98 0.00 0.00 173.24 174.84 1sku n LEU 81 N 6.11 -3.35 0.00 2.42 4.77 -1.26 -4.40 117.00 121.29 1sku n LEU 81 Ca 0.12 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1sku n LEU 81 Cb 0.46 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 1sku n LEU 81 CO 0.55 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1sku n GLY 82 N -1.91 1.39 3.66 -0.72 0.00 -1.25 -4.92 105.19 101.43 1sku n GLY 82 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1sku n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sku s LYS 83 N 0.00 4.11 0.53 1.61 2.20 -1.26 -4.84 119.74 122.08 1sku s LYS 83 Ca 0.00 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1sku s LYS 83 Cb 0.00 -3.56 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1sku s LYS 83 CO 0.00 -0.03 0.00 0.15 -0.36 0.00 0.00 175.35 175.11 1sku s LYS 84 N 1.32 2.23 0.00 4.03 -0.14 -1.26 -4.93 119.74 120.99 1sku s LYS 84 Ca 0.14 -2.45 0.00 0.00 -1.36 0.00 0.00 55.97 52.29 1sku s LYS 84 Cb -0.14 -1.50 0.00 0.00 -1.68 0.00 0.00 37.83 34.51 1sku s LYS 84 CO 0.07 -0.42 0.00 0.41 -0.76 0.00 0.00 175.35 174.65 1sku n GLY 85 N -1.31 0.00 3.97 -3.33 0.00 -1.26 -4.95 105.19 98.31 1sku n GLY 85 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1sku n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sku s GLU 86 N 0.00 1.89 0.65 1.61 -1.05 -1.26 -5.09 118.70 115.44 1sku s GLU 86 Ca 0.00 -0.82 -0.10 0.00 -0.15 0.00 0.00 54.97 53.90 1sku s GLU 86 Cb 0.00 -2.30 -0.01 0.00 -0.44 0.00 0.00 34.13 31.39 1sku s GLU 86 CO 0.00 -1.32 1.03 0.95 0.95 0.00 0.00 175.26 176.87 1sku s THR 87 N -3.14 3.98 -0.22 1.83 -4.23 -1.26 -4.94 115.64 107.67 1sku s THR 87 Ca 0.64 0.53 0.21 0.00 -1.18 0.00 0.00 61.69 61.89 1sku s THR 87 Cb -0.07 -3.62 0.23 0.00 1.34 0.00 0.00 72.50 70.37 1sku s THR 87 CO 0.44 -0.79 1.61 0.25 -0.54 0.00 0.00 174.62 175.58 1sku h LEU 88 N -0.44 0.00 -0.37 4.79 7.12 -1.99 -2.46 115.31 121.96 1sku h LEU 88 Ca -0.45 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.38 1sku h LEU 88 Cb 1.23 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.34 1sku h LEU 88 CO 0.63 0.21 -0.82 0.00 -0.13 0.00 0.00 178.44 178.33 1sku h ALA 89 N 1.79 0.62 0.00 1.25 0.00 -1.92 -2.88 119.26 118.12 1sku h ALA 89 Ca -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.16 1sku h ALA 89 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1sku h ALA 89 CO 0.03 0.93 -0.19 0.22 0.00 0.00 0.00 179.25 180.24 1sku h ASP 90 N 0.06 0.00 0.07 0.00 3.58 -1.88 -3.05 116.42 115.20 1sku h ASP 90 Ca -0.03 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.22 1sku h ASP 90 Cb 1.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 1sku h ASP 90 CO 0.12 0.19 -1.04 0.74 -2.88 0.00 0.00 179.24 176.37 1sku h THR 91 N 0.00 1.21 -0.57 2.25 2.02 -1.46 -3.32 112.91 113.04 1sku h THR 91 Ca -0.00 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 64.78 1sku h THR 91 Cb 1.01 2.80 -0.03 0.00 -1.74 0.00 0.00 68.15 70.19 1sku h THR 91 CO 0.03 0.60 0.18 0.40 0.37 0.00 0.00 175.52 177.10 1sku h ILE 92 N -0.59 1.22 -0.45 3.11 1.08 -1.61 -2.04 117.51 118.23 1sku h ILE 92 Ca -0.24 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1sku h ILE 92 Cb 1.50 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 1sku h ILE 92 CO 0.00 0.29 0.28 0.28 -0.69 0.00 0.00 178.15 178.31 1sku h SER 93 N 0.83 0.53 0.93 1.72 0.02 -1.69 -0.38 113.55 115.51 1sku h SER 93 Ca 0.19 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.92 1sku h SER 93 Cb 0.24 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1sku h SER 93 CO -0.01 0.41 -0.83 0.58 -1.14 0.00 0.00 176.83 175.84 1sku h VAL 94 N 0.60 1.54 0.00 2.27 2.07 -1.62 -3.08 116.25 118.03 1sku h VAL 94 Ca 0.16 -2.91 -0.04 0.00 0.82 0.00 0.00 66.70 64.73 1sku h VAL 94 Cb -0.03 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1sku h VAL 94 CO -0.03 0.82 -0.20 0.40 0.02 0.00 0.00 177.57 178.57 1sku h ILE 95 N 0.00 0.40 -0.03 4.57 1.08 -1.22 -3.30 117.51 119.00 1sku h ILE 95 Ca -0.01 -1.30 -0.19 0.00 -0.39 0.00 0.00 64.86 62.97 1sku h ILE 95 Cb 1.52 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.24 1sku h ILE 95 CO 0.11 0.20 -0.80 -1.28 -0.69 0.00 0.00 178.15 175.69 1sku h SER 96 N 0.00 0.37 1.45 1.72 0.87 -0.97 -2.94 113.55 114.05 1sku h SER 96 Ca -0.00 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1sku h SER 96 Cb 0.96 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1sku h SER 96 CO 0.03 1.02 -0.08 0.74 -0.53 0.00 0.00 176.83 178.01 1sku h THR 97 N 0.19 0.16 0.02 2.23 2.02 -1.64 -3.27 112.91 112.61 1sku h THR 97 Ca -0.04 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1sku h THR 97 Cb 1.39 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1sku h THR 97 CO 0.13 0.08 -0.01 1.88 0.37 0.00 0.00 175.52 177.97 1sku h TYR 98 N 0.00 -0.03 -1.00 3.16 0.99 -1.63 -3.48 116.97 114.98 1sku h TYR 98 Ca -0.00 -0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.10 1sku h TYR 98 Cb 0.82 0.01 -0.11 0.00 1.00 0.00 0.00 36.73 38.45 1sku h TYR 98 CO 0.00 0.62 -0.50 0.14 -0.00 0.00 0.00 178.16 178.42 1sku s VAL 99 N -3.47 1.71 -0.55 -2.88 -7.23 -1.13 -4.99 120.40 101.85 1sku s VAL 99 Ca -0.16 -1.85 0.22 0.00 -1.81 0.00 0.00 61.98 58.38 1sku s VAL 99 Cb -0.00 -2.56 -0.16 0.00 0.56 0.00 0.00 36.38 34.22 1sku s VAL 99 CO 0.65 0.00 0.92 0.47 -0.31 0.00 0.00 175.10 176.83 1sku n ASP 100 N -1.26 0.58 -3.49 4.85 10.43 -0.95 -4.82 116.55 121.88 1sku n ASP 100 Ca -0.09 -0.26 -0.15 0.00 2.57 0.00 0.00 54.79 56.86 1sku n ASP 100 Cb 0.66 1.00 -0.04 0.00 1.84 0.00 0.00 41.12 44.57 1sku n ASP 100 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sku s ALA 101 N -3.23 -1.73 0.03 2.24 0.00 -1.25 -4.06 121.76 113.76 1sku s ALA 101 Ca 0.02 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.12 1sku s ALA 101 Cb 0.14 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1sku s ALA 101 CO 0.83 -0.51 -0.23 0.42 0.00 0.00 0.00 175.76 176.26 1sku s ILE 102 N -2.11 2.36 -0.40 0.00 1.09 -0.98 -1.49 121.20 119.66 1sku s ILE 102 Ca -0.06 -1.25 0.02 0.00 -1.10 0.00 0.00 60.65 58.26 1sku s ILE 102 Cb -0.00 -1.92 0.12 0.00 -1.06 0.00 0.00 42.46 39.60 1sku s ILE 102 CO 0.01 0.41 0.19 -0.69 -0.10 0.00 0.00 174.94 174.76 1sku s VAL 103 N -0.80 1.35 -0.08 2.92 1.01 -0.74 -1.25 120.40 122.81 1sku s VAL 103 Ca 0.12 -2.26 -0.00 0.00 0.00 0.00 0.00 61.98 59.84 1sku s VAL 103 Cb -0.10 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1sku s VAL 103 CO 0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 175.10 174.25 1sku s MET 104 N 0.70 2.86 -0.15 2.72 0.23 -1.18 -1.86 119.30 122.62 1sku s MET 104 Ca 0.15 -0.51 0.02 0.00 -1.03 0.00 0.00 55.69 54.31 1sku s MET 104 Cb -0.22 -2.66 0.02 0.00 -1.53 0.00 0.00 34.83 30.44 1sku s MET 104 CO -0.06 0.65 -0.19 0.50 -2.03 0.00 0.00 175.02 173.88 1sku s ARG 105 N -0.75 2.79 -0.01 3.16 3.00 -1.12 -2.55 118.95 123.47 1sku s ARG 105 Ca 0.11 -0.76 0.05 0.00 -1.00 0.00 0.00 55.73 54.14 1sku s ARG 105 Cb -0.11 -2.36 -0.01 0.00 0.00 0.00 0.00 34.95 32.47 1sku s ARG 105 CO 0.02 -0.12 -0.17 -1.58 0.00 0.00 0.00 175.30 173.45 1sku s HIS 106 N 1.10 1.51 0.32 5.12 2.46 -1.09 -0.73 115.29 123.99 1sku s HIS 106 Ca -0.01 -0.29 0.03 0.00 0.47 0.00 0.00 55.06 55.26 1sku s HIS 106 Cb -0.14 -0.97 0.56 0.00 -0.13 0.00 0.00 32.58 31.90 1sku s HIS 106 CO -0.07 -0.02 1.85 -1.00 -2.47 0.00 0.00 174.74 173.03 1sku h PRO 107 N 5.66 0.56 -6.66 2.88 0.13 -1.90 -2.08 132.00 130.59 1sku h PRO 107 Ca -0.37 -0.13 -0.50 0.00 -0.87 0.00 0.00 66.00 64.13 1sku h PRO 107 Cb 1.15 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1sku h PRO 107 CO 0.48 0.59 0.18 -0.65 -0.23 0.00 0.00 178.00 178.37 1sku s GLN 108 N -4.95 4.35 0.01 0.86 -0.21 -1.26 -3.68 119.66 114.77 1sku s GLN 108 Ca -0.08 1.00 -0.21 0.00 0.02 0.00 0.00 55.36 56.09 1sku s GLN 108 Cb 0.15 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.25 1sku s GLN 108 CO 0.77 0.36 0.63 -1.83 -2.12 0.00 0.00 175.29 173.10 1sku s GLU 109 N -2.00 4.35 0.00 2.91 1.03 -1.26 -3.92 118.70 119.82 1sku s GLU 109 Ca 0.45 0.80 0.00 0.00 0.03 0.00 0.00 54.97 56.25 1sku s GLU 109 Cb -0.17 -3.34 0.00 0.00 -0.80 0.00 0.00 34.13 29.82 1sku s GLU 109 CO 0.22 0.37 0.00 0.41 -1.33 0.00 0.00 175.26 174.93 1sku n GLY 110 N 2.39 0.92 0.13 -3.83 0.00 -1.26 -5.01 105.19 98.53 1sku n GLY 110 Ca -0.06 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1sku n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sku h ALA 111 N 0.00 0.06 -0.22 4.61 0.00 -1.89 -2.97 119.26 118.85 1sku h ALA 111 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 54.91 53.83 1sku h ALA 111 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1sku h ALA 111 CO 0.00 0.92 -0.34 0.00 0.00 0.00 0.00 179.25 179.84 1sku h ALA 112 N 0.33 1.02 0.00 0.00 0.00 -1.91 -2.83 119.26 115.86 1sku h ALA 112 Ca -0.24 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1sku h ALA 112 Cb 2.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1sku h ALA 112 CO 0.22 0.59 -0.42 -0.09 0.00 0.00 0.00 179.25 179.55 1sku h ARG 113 N 0.39 0.00 0.00 0.00 9.65 -1.94 -2.97 114.38 119.51 1sku h ARG 113 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1sku h ARG 113 Cb 0.78 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1sku h ARG 113 CO 0.06 0.42 0.00 -0.11 2.80 0.00 0.00 179.97 183.15 1sku n LEU 114 N -3.77 0.14 -0.59 3.80 0.00 -1.07 -3.77 117.00 111.73 1sku n LEU 114 Ca -0.01 0.53 0.08 0.00 0.00 0.00 0.00 56.01 56.61 1sku n LEU 114 Cb 0.49 -0.50 0.05 0.00 0.00 0.00 0.00 43.42 43.47 1sku n LEU 114 CO 0.38 -0.21 0.45 0.00 0.00 0.00 0.00 177.39 178.01 1sku n ALA 115 N -1.55 2.63 -0.04 1.96 0.00 -1.12 -4.47 120.51 117.91 1sku n ALA 115 Ca 0.04 -0.61 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1sku n ALA 115 Cb 0.24 -0.56 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 1sku n ALA 115 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sku h THR 116 N 2.91 1.56 0.02 0.00 2.02 -1.70 -2.76 112.91 114.97 1sku h THR 116 Ca 0.00 -1.70 -0.21 0.00 0.77 0.00 0.00 66.41 65.27 1sku h THR 116 Cb 0.66 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 1sku h THR 116 CO 0.00 0.44 -0.96 -0.33 0.37 0.00 0.00 175.52 175.04 1sku h GLU 117 N -0.73 0.14 -0.06 6.66 3.07 -1.85 -3.21 114.58 118.60 1sku h GLU 117 Ca -0.00 -0.18 -0.13 0.00 -0.50 0.00 0.00 59.36 58.55 1sku h GLU 117 Cb 0.72 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1sku h GLU 117 CO 0.00 0.99 -0.55 0.74 -1.40 0.00 0.00 179.01 178.80 1sku h PHE 118 N 0.06 0.21 0.00 4.33 0.04 -1.78 -2.97 116.94 116.83 1sku h PHE 118 Ca -0.05 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 1sku h PHE 118 Cb 1.64 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.75 1sku h PHE 118 CO 0.02 0.68 -0.11 0.66 -0.60 0.00 0.00 178.31 178.96 1sku h SER 119 N 0.13 0.00 0.00 2.17 4.64 -1.53 -3.42 113.55 115.54 1sku h SER 119 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sku h SER 119 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1sku h SER 119 CO 0.08 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1sku n GLY 120 N 0.54 1.33 0.70 -0.77 0.00 -1.13 -3.19 105.19 102.68 1sku n GLY 120 Ca 0.02 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.41 1sku n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sku n ASN 121 N 6.50 2.05 -4.57 1.61 2.85 -1.26 -4.79 115.26 117.66 1sku n ASN 121 Ca 0.00 -1.94 -0.42 0.00 -0.11 0.00 0.00 54.58 52.10 1sku n ASN 121 Cb 0.00 -0.23 -0.05 0.00 1.24 0.00 0.00 39.78 40.73 1sku n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1sku s VAL 122 N -1.53 4.73 0.59 3.44 1.01 -1.19 -4.98 120.40 122.46 1sku s VAL 122 Ca 0.28 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 1sku s VAL 122 Cb 0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1sku s VAL 122 CO 0.20 -0.50 1.23 -2.16 0.00 0.00 0.00 175.10 173.87 1sku s PRO 123 N 3.10 2.97 -0.14 2.72 0.04 -1.26 -4.76 135.00 137.68 1sku s PRO 123 Ca 0.30 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 1sku s PRO 123 Cb -0.13 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1sku s PRO 123 CO 0.18 -1.22 -0.00 0.14 0.04 0.00 0.00 177.00 176.14 1sku s VAL 124 N -1.55 0.65 0.14 -0.36 -7.23 -1.26 -2.32 120.40 108.47 1sku s VAL 124 Ca 0.77 -0.33 -0.19 0.00 -1.81 0.00 0.00 61.98 60.42 1sku s VAL 124 Cb -0.32 -0.93 -0.07 0.00 0.56 0.00 0.00 36.38 35.62 1sku s VAL 124 CO 0.35 0.07 0.63 -0.76 -0.31 0.00 0.00 175.10 175.07 1sku s LEU 125 N 1.83 4.44 -0.32 1.32 1.02 -0.38 -4.54 118.68 122.05 1sku s LEU 125 Ca 0.02 1.30 -0.16 0.00 0.02 0.00 0.00 54.13 55.31 1sku s LEU 125 Cb -0.15 -3.21 -0.02 0.00 0.02 0.00 0.00 46.19 42.83 1sku s LEU 125 CO -0.07 0.16 0.40 0.21 0.02 0.00 0.00 176.35 177.07 1sku s ASN 126 N -1.41 6.23 -0.09 2.29 3.04 -1.06 -3.08 114.94 120.87 1sku s ASN 126 Ca 0.36 -0.05 0.19 0.00 0.04 0.00 0.00 52.86 53.39 1sku s ASN 126 Cb -0.18 -2.22 0.67 0.00 -1.54 0.00 0.00 41.25 37.99 1sku s ASN 126 CO 0.20 -0.33 1.58 0.00 -3.04 0.00 0.00 177.10 175.52 1sku n ALA 127 N 5.45 2.89 0.00 1.71 0.00 -1.06 -4.15 120.51 125.35 1sku n ALA 127 Ca -0.08 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1sku n ALA 127 Cb 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1sku n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sku n GLY 128 N 1.11 2.54 2.92 0.00 0.00 -1.26 -4.84 105.19 105.66 1sku n GLY 128 Ca 0.24 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 1sku n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sku s ASP 129 N 0.00 4.75 1.42 1.61 -4.77 -1.25 -2.66 116.67 115.77 1sku s ASP 129 Ca 0.00 -3.62 0.00 0.00 -3.30 0.00 0.00 52.55 45.63 1sku s ASP 129 Cb 0.00 -1.65 0.00 0.00 -1.09 0.00 0.00 42.92 40.18 1sku s ASP 129 CO 0.00 -0.13 0.00 0.61 0.70 0.00 0.00 175.17 176.35 1sku n GLY 130 N 2.30 2.06 1.41 2.12 0.00 -0.78 -2.10 105.19 110.20 1sku n GLY 130 Ca 0.16 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1sku n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sku n SER 131 N 6.86 4.41 -2.47 1.61 3.41 -1.26 -4.48 113.62 121.70 1sku n SER 131 Ca 0.00 -2.37 -0.30 0.00 -0.26 0.00 0.00 58.87 55.94 1sku n SER 131 Cb 0.00 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.43 1sku n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sku n ASN 132 N 1.05 6.99 -1.25 4.04 4.05 -0.89 -4.95 115.26 124.30 1sku n ASN 132 Ca 0.24 -3.46 0.02 0.00 0.45 0.00 0.00 54.58 51.83 1sku n ASN 132 Cb 0.80 -1.11 -0.01 0.00 1.23 0.00 0.00 39.78 40.69 1sku n ASN 132 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1sku n GLN 133 N 0.07 -2.14 -3.48 1.20 0.00 -1.26 -4.63 117.38 107.13 1sku n GLN 133 Ca 0.49 1.68 -0.43 0.00 -0.00 0.00 0.00 57.00 58.75 1sku n GLN 133 Cb 0.49 -2.40 -0.06 0.00 0.00 0.00 0.00 30.24 28.27 1sku n GLN 133 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1sku s HIS 134 N -4.75 3.56 0.13 3.69 5.65 -1.26 -3.86 115.29 118.45 1sku s HIS 134 Ca 0.00 -2.13 0.20 0.00 0.25 0.00 0.00 55.06 53.37 1sku s HIS 134 Cb 0.00 -3.58 0.67 0.00 -1.18 0.00 0.00 32.58 28.49 1sku s HIS 134 CO 0.00 -0.95 1.72 -1.00 -0.65 0.00 0.00 174.74 173.86 1sku h PRO 135 N 7.76 0.00 -0.13 2.88 0.13 -1.83 -3.00 132.00 137.80 1sku h PRO 135 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 1sku h PRO 135 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1sku h PRO 135 CO 0.78 0.35 -0.47 1.79 -0.23 0.00 0.00 178.00 180.22 1sku h THR 136 N 0.00 1.33 -0.26 1.56 1.35 -1.95 -2.45 112.91 112.49 1sku h THR 136 Ca -0.00 -1.68 -0.08 0.00 -0.55 0.00 0.00 66.41 64.09 1sku h THR 136 Cb 0.91 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1sku h THR 136 CO 0.05 0.51 -0.20 -0.61 -0.25 0.00 0.00 175.52 175.02 1sku h GLN 137 N 0.27 0.46 0.00 4.72 5.75 -1.91 -2.87 115.11 121.52 1sku h GLN 137 Ca 0.02 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 1sku h GLN 137 Cb 0.94 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.44 1sku h GLN 137 CO 0.08 0.64 -0.39 1.15 -2.65 0.00 0.00 178.83 177.66 1sku h THR 138 N 0.42 1.03 0.14 2.39 2.02 -1.34 -2.29 112.91 115.28 1sku h THR 138 Ca 0.07 -1.49 -0.29 0.00 0.77 0.00 0.00 66.41 65.48 1sku h THR 138 Cb 0.58 1.86 0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1sku h THR 138 CO 0.04 0.39 -1.25 -0.07 0.37 0.00 0.00 175.52 174.99 1sku h LEU 139 N 0.00 0.64 0.00 2.58 3.38 -1.26 -2.76 115.31 117.89 1sku h LEU 139 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1sku h LEU 139 Cb 0.83 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1sku h LEU 139 CO 0.05 1.48 -0.00 0.17 0.09 0.00 0.00 178.44 180.22 1sku h LEU 140 N 0.16 0.00 -0.07 1.67 8.10 -1.53 -2.54 115.31 121.11 1sku h LEU 140 Ca -0.17 -0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.64 1sku h LEU 140 Cb 1.95 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 42.18 1sku h LEU 140 CO 0.22 0.00 -0.67 0.44 -4.11 0.00 0.00 178.44 174.32 1sku h ASP 141 N 0.00 0.70 0.36 0.17 3.32 -1.43 -2.93 116.42 116.62 1sku h ASP 141 Ca 0.00 -0.69 -0.11 0.00 0.02 0.00 0.00 57.03 56.25 1sku h ASP 141 Cb 0.86 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1sku h ASP 141 CO 0.00 1.29 -0.47 -0.07 -1.72 0.00 0.00 179.24 178.27 1sku h LEU 142 N 0.18 0.14 -0.73 1.55 3.38 -1.49 -2.72 115.31 115.61 1sku h LEU 142 Ca -0.06 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1sku h LEU 142 Cb 1.33 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1sku h LEU 142 CO 0.14 0.59 -0.61 0.15 0.09 0.00 0.00 178.44 178.79 1sku h PHE 143 N 0.11 0.10 0.12 1.13 3.57 -1.50 -2.21 116.94 118.26 1sku h PHE 143 Ca 0.00 -0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.19 1sku h PHE 143 Cb 0.87 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.60 1sku h PHE 143 CO 0.01 0.67 -1.21 1.15 -2.23 0.00 0.00 178.31 176.70 1sku h THR 144 N 0.06 1.43 0.00 4.41 2.02 -1.44 -2.62 112.91 116.76 1sku h THR 144 Ca -0.01 -2.82 -0.08 0.00 0.77 0.00 0.00 66.41 64.28 1sku h THR 144 Cb 1.09 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1sku h THR 144 CO 0.08 0.83 -0.36 0.40 0.37 0.00 0.00 175.52 176.85 1sku h ILE 145 N 0.14 0.87 0.14 3.11 2.04 -1.46 -3.11 117.51 119.23 1sku h ILE 145 Ca -0.14 -1.45 -0.31 0.00 1.00 0.00 0.00 64.86 63.96 1sku h ILE 145 Cb 1.90 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1sku h ILE 145 CO 0.21 0.35 -1.49 -0.61 0.00 0.00 0.00 178.15 176.61 1sku h GLN 146 N 0.00 0.29 0.00 2.37 4.15 -1.42 -3.00 115.11 117.49 1sku h GLN 146 Ca -0.00 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1sku h GLN 146 Cb 0.86 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1sku h GLN 146 CO 0.05 1.17 -0.11 1.05 -1.93 0.00 0.00 178.83 179.06 1sku h GLU 147 N 0.08 0.00 0.00 1.69 -0.00 -1.48 -2.64 114.58 112.23 1sku h GLU 147 Ca -0.23 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 58.82 1sku h GLU 147 Cb 2.03 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 30.73 1sku h GLU 147 CO 0.18 0.00 -2.01 0.25 -0.00 0.00 0.00 179.01 177.43 1sku n THR 148 N -2.46 0.99 0.18 -1.06 -2.24 -1.18 -4.64 114.28 103.88 1sku n THR 148 Ca 0.05 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.63 1sku n THR 148 Cb 0.46 -1.74 0.26 0.00 -2.10 0.00 0.00 70.33 67.22 1sku n THR 148 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1sku h GLN 149 N -0.64 0.00 0.00 -0.78 1.08 -1.70 -3.47 115.11 109.60 1sku h GLN 149 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1sku h GLN 149 Cb 1.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1sku h GLN 149 CO -0.28 0.36 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 1sku n GLY 150 N 0.57 0.39 3.63 3.46 0.00 -1.00 -5.03 105.19 107.23 1sku n GLY 150 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1sku n GLY 150 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sku n ARG 151 N -1.94 0.99 -0.00 1.61 1.85 -1.22 -4.95 116.66 113.00 1sku n ARG 151 Ca 0.00 -1.98 0.01 0.00 -1.00 0.00 0.00 57.85 54.88 1sku n ARG 151 Cb 0.00 2.51 0.01 0.00 -1.05 0.00 0.00 32.46 33.93 1sku n ARG 151 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sku n LEU 152 N 0.00 1.25 -4.67 2.89 4.32 -1.26 -3.94 117.00 115.59 1sku n LEU 152 Ca -0.07 -1.10 -0.31 0.00 -0.02 0.00 0.00 56.01 54.51 1sku n LEU 152 Cb 0.57 -0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.28 1sku n LEU 152 CO 0.25 0.30 -0.34 1.51 -1.22 0.00 0.00 177.39 177.88 1sku s ASP 153 N -0.24 4.95 -1.16 -1.43 -4.77 -1.26 -4.71 116.67 108.05 1sku s ASP 153 Ca 0.02 -0.16 -0.04 0.00 -3.30 0.00 0.00 52.55 49.07 1sku s ASP 153 Cb 0.02 -1.18 -0.03 0.00 -1.09 0.00 0.00 42.92 40.64 1sku s ASP 153 CO 0.02 0.20 0.91 -3.20 0.70 0.00 0.00 175.17 173.81 1sku n ASN 154 N 0.81 -3.84 -4.24 2.11 5.15 -0.83 -4.94 115.26 109.48 1sku n ASN 154 Ca -0.12 -0.71 -0.23 0.00 -0.60 0.00 0.00 54.58 52.92 1sku n ASN 154 Cb 0.52 -4.89 -0.13 0.00 -0.53 0.00 0.00 39.78 34.75 1sku n ASN 154 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sku s LEU 155 N -6.06 2.23 -1.13 1.20 1.43 -1.26 -4.94 118.68 110.15 1sku s LEU 155 Ca 0.20 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1sku s LEU 155 Cb -0.03 -0.84 0.26 0.00 0.03 0.00 0.00 46.19 45.61 1sku s LEU 155 CO 0.75 0.08 1.24 1.41 0.23 0.00 0.00 176.35 180.06 1sku n HIS 156 N 1.48 4.79 -3.16 0.29 8.25 -1.26 -1.92 115.22 123.68 1sku n HIS 156 Ca -0.19 -3.63 -0.42 0.00 -0.26 0.00 0.00 57.72 53.22 1sku n HIS 156 Cb 0.54 -1.73 -0.07 0.00 1.12 0.00 0.00 29.99 29.85 1sku n HIS 156 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sku s VAL 157 N -1.02 4.93 0.35 1.59 1.01 -1.03 -2.33 120.40 123.90 1sku s VAL 157 Ca 0.33 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1sku s VAL 157 Cb -0.06 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1sku s VAL 157 CO -0.04 -0.32 0.54 0.00 0.00 0.00 0.00 175.10 175.29 1sku s ALA 158 N 2.60 3.74 -0.10 5.51 0.00 -0.97 -2.76 121.76 129.78 1sku s ALA 158 Ca 0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1sku s ALA 158 Cb -0.15 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 20.96 1sku s ALA 158 CO 0.15 -0.04 0.19 -1.64 0.00 0.00 0.00 175.76 174.42 1sku s MET 159 N -4.31 0.08 0.06 0.00 -1.94 -0.78 -1.97 119.30 110.44 1sku s MET 159 Ca 0.41 0.59 0.09 0.00 -1.71 0.00 0.00 55.69 55.06 1sku s MET 159 Cb -0.10 -0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.53 1sku s MET 159 CO 0.35 -0.27 -0.25 0.08 -0.01 0.00 0.00 175.02 174.93 1sku s VAL 160 N 2.10 2.31 0.00 -6.03 1.01 -0.88 -1.68 120.40 117.22 1sku s VAL 160 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1sku s VAL 160 Cb -0.12 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1sku s VAL 160 CO -0.07 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1sku n GLY 161 N 1.59 0.86 3.58 4.51 0.00 -1.04 -2.60 105.19 112.09 1sku n GLY 161 Ca -0.17 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1sku n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sku s ASP 162 N -4.00 6.06 -0.14 1.61 3.68 -1.26 -4.66 116.67 117.96 1sku s ASP 162 Ca 0.00 0.45 0.12 0.00 2.13 0.00 0.00 52.55 55.25 1sku s ASP 162 Cb 0.00 -2.54 -0.17 0.00 -1.45 0.00 0.00 42.92 38.76 1sku s ASP 162 CO 0.00 -1.73 0.05 0.18 0.13 0.00 0.00 175.17 173.79 1sku n LEU 163 N 9.82 0.01 -0.06 -1.34 4.77 -1.07 -3.32 117.00 125.82 1sku n LEU 163 Ca 0.15 -0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1sku n LEU 163 Cb 0.49 0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.85 1sku n LEU 163 CO 0.71 0.34 0.64 0.50 -1.33 0.00 0.00 177.39 178.25 1sku h LYS 164 N 0.00 0.37 0.00 3.23 3.64 -1.55 -3.36 116.57 118.89 1sku h LYS 164 Ca -0.38 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 58.72 1sku h LYS 164 Cb 1.85 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.65 1sku h LYS 164 CO 0.02 0.71 -1.94 0.66 -2.27 0.00 0.00 179.45 176.62 1sku n TYR 165 N -4.58 0.00 -1.57 1.91 4.01 -1.26 -4.81 117.16 110.86 1sku n TYR 165 Ca -0.06 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 1sku n TYR 165 Cb 0.33 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.77 1sku n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1sku s GLY 166 N -4.43 -0.21 0.18 2.72 0.00 -1.21 -4.82 107.32 99.54 1sku s GLY 166 Ca -0.07 0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.81 1sku s GLY 166 CO 0.73 4.07 1.49 0.07 0.00 0.00 0.00 173.10 179.46 1sku h ARG 167 N 18.51 0.65 0.00 2.90 0.11 -1.89 -3.14 114.38 131.51 1sku h ARG 167 Ca -0.28 -0.40 -0.00 0.00 0.10 0.00 0.00 59.98 59.40 1sku h ARG 167 Cb 1.26 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 1sku h ARG 167 CO 1.11 1.01 -0.02 1.79 0.10 0.00 0.00 179.97 183.96 1sku h THR 168 N 0.51 0.18 0.00 0.08 1.35 -1.91 -2.29 112.91 110.82 1sku h THR 168 Ca 0.02 -0.16 -0.30 0.00 -0.55 0.00 0.00 66.41 65.42 1sku h THR 168 Cb 1.08 1.13 -0.05 0.00 -1.73 0.00 0.00 68.15 68.57 1sku h THR 168 CO 0.10 0.02 -1.91 0.55 -0.25 0.00 0.00 175.52 174.03 1sku n VAL 169 N -3.30 1.48 0.27 6.82 3.14 -1.20 -3.66 118.33 121.87 1sku n VAL 169 Ca -0.02 -0.80 -0.17 0.00 -2.96 0.00 0.00 64.34 60.38 1sku n VAL 169 Cb 0.13 -0.81 -0.09 0.00 -1.06 0.00 0.00 33.84 32.01 1sku n VAL 169 CO 0.00 0.00 0.00 0.45 -6.46 0.00 0.00 176.83 170.82 1sku h HIS 170 N 0.00 -1.30 -0.00 1.45 3.86 -1.37 -2.18 115.15 115.62 1sku h HIS 170 Ca -0.36 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 1sku h HIS 170 Cb 2.04 0.51 0.00 0.00 1.06 0.00 0.00 27.41 31.02 1sku h HIS 170 CO 0.00 -0.63 -0.08 0.43 0.86 0.00 0.00 177.93 178.51 1sku n SER 171 N -5.54 0.09 0.14 2.45 7.64 -1.22 -2.57 113.62 114.61 1sku n SER 171 Ca -0.11 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.12 1sku n SER 171 Cb 0.44 -0.37 0.20 0.00 -1.01 0.00 0.00 64.21 63.47 1sku n SER 171 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1sku h LEU 172 N 0.00 0.00 0.05 -3.43 5.85 -1.58 -0.97 115.31 115.23 1sku h LEU 172 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 1sku h LEU 172 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1sku h LEU 172 CO 0.00 0.58 -1.12 0.74 -0.34 0.00 0.00 178.44 178.30 1sku h THR 173 N 0.00 1.59 0.00 1.05 2.02 -1.12 -2.84 112.91 113.60 1sku h THR 173 Ca -0.01 -3.17 -0.16 0.00 0.77 0.00 0.00 66.41 63.85 1sku h THR 173 Cb 1.03 2.87 -0.02 0.00 -1.74 0.00 0.00 68.15 70.29 1sku h THR 173 CO 0.08 0.92 -0.74 1.56 0.37 0.00 0.00 175.52 177.70 1sku h GLN 174 N 0.05 0.00 0.00 6.66 4.20 -1.46 -1.59 115.11 122.97 1sku h GLN 174 Ca -0.08 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.44 1sku h GLN 174 Cb 1.86 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.65 1sku h GLN 174 CO 0.17 0.74 -0.73 0.00 -0.67 0.00 0.00 178.83 178.34 1sku h ALA 175 N 1.26 0.09 0.00 3.87 0.00 -1.26 -3.13 119.26 120.08 1sku h ALA 175 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1sku h ALA 175 Cb 1.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1sku h ALA 175 CO 0.10 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1sku h LEU 176 N 0.04 0.00 -0.72 0.00 3.38 -1.56 -2.98 115.31 113.46 1sku h LEU 176 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 1sku h LEU 176 Cb 1.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1sku h LEU 176 CO 0.14 0.00 -0.63 0.00 0.09 0.00 0.00 178.44 178.04 1sku h ALA 177 N 2.11 0.94 0.00 1.53 0.00 -1.24 -2.86 119.26 119.74 1sku h ALA 177 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1sku h ALA 177 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1sku h ALA 177 CO 0.00 0.78 -0.30 0.87 0.00 0.00 0.00 179.25 180.61 1sku h LYS 178 N 0.02 0.00 -6.98 0.00 1.57 -1.49 -3.42 116.57 106.27 1sku h LYS 178 Ca -0.01 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1sku h LYS 178 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 1sku h LYS 178 CO 0.08 0.30 0.21 -0.06 -0.57 0.00 0.00 179.45 179.41 1sku s PHE 179 N -4.23 3.47 0.25 -1.35 0.40 -1.08 -5.00 117.98 110.43 1sku s PHE 179 Ca -0.03 1.20 0.06 0.00 -0.60 0.00 0.00 56.93 57.56 1sku s PHE 179 Cb 0.14 -2.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1sku s PHE 179 CO 0.69 -0.21 0.28 -0.51 0.70 0.00 0.00 175.22 176.17 1sku s ASP 180 N -3.15 5.90 0.00 1.36 1.11 -1.26 -4.56 116.67 116.07 1sku s ASP 180 Ca 0.54 -0.10 0.00 0.00 0.18 0.00 0.00 52.55 53.17 1sku s ASP 180 Cb -0.10 -1.62 0.00 0.00 1.07 0.00 0.00 42.92 42.27 1sku s ASP 180 CO 0.32 -0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.22 1sku n GLY 181 N -1.29 0.89 3.59 0.21 0.00 -1.26 -1.96 105.19 105.37 1sku n GLY 181 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1sku n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sku s ASN 182 N -2.88 6.26 0.37 1.61 -0.87 -1.26 -3.93 114.94 114.23 1sku s ASN 182 Ca 0.00 0.72 -0.25 0.00 -1.57 0.00 0.00 52.86 51.75 1sku s ASN 182 Cb 0.00 -2.54 -0.09 0.00 -0.02 0.00 0.00 41.25 38.60 1sku s ASN 182 CO 0.00 -1.52 1.07 -0.60 -2.57 0.00 0.00 177.10 173.49 1sku s ARG 183 N 5.12 4.27 -0.06 -0.60 6.06 -0.81 -4.47 118.95 128.45 1sku s ARG 183 Ca 0.60 1.62 0.02 0.00 -2.50 0.00 0.00 55.73 55.47 1sku s ARG 183 Cb -0.13 -2.72 0.02 0.00 0.06 0.00 0.00 34.95 32.18 1sku s ARG 183 CO 0.31 -0.07 -0.09 -0.06 -2.50 0.00 0.00 175.30 172.89 1sku s PHE 184 N -1.50 1.16 0.04 5.12 0.08 -1.08 -2.47 117.98 119.32 1sku s PHE 184 Ca 0.54 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 57.24 1sku s PHE 184 Cb -0.25 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1sku s PHE 184 CO 0.32 -0.26 -0.12 0.71 -0.10 0.00 0.00 175.22 175.78 1sku s TYR 185 N 0.85 2.73 -0.52 0.36 1.51 -1.11 -2.69 117.35 118.48 1sku s TYR 185 Ca -0.12 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1sku s TYR 185 Cb -0.15 -1.51 0.17 0.00 -0.11 0.00 0.00 41.96 40.36 1sku s TYR 185 CO 0.01 0.34 0.40 -0.06 -1.11 0.00 0.00 175.55 175.13 1sku s PHE 186 N -1.02 2.00 -0.76 2.71 0.08 -1.11 -1.86 117.98 118.01 1sku s PHE 186 Ca 0.17 -2.70 -0.27 0.00 0.12 0.00 0.00 56.93 54.26 1sku s PHE 186 Cb -0.11 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1sku s PHE 186 CO 0.08 -0.72 1.33 0.42 -0.10 0.00 0.00 175.22 176.22 1sku s ILE 187 N -0.49 3.72 0.02 0.64 1.09 -0.68 -3.22 121.20 122.29 1sku s ILE 187 Ca 0.30 0.27 -0.11 0.00 -1.10 0.00 0.00 60.65 60.01 1sku s ILE 187 Cb 0.00 -4.88 0.01 0.00 -1.06 0.00 0.00 42.46 36.53 1sku s ILE 187 CO -0.18 -1.82 0.24 0.00 -0.10 0.00 0.00 174.94 173.07 1sku s ALA 188 N 5.84 -0.53 0.92 9.38 0.00 -1.24 -2.50 121.76 133.63 1sku s ALA 188 Ca 0.38 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1sku s ALA 188 Cb -0.07 0.20 0.14 0.00 0.00 0.00 0.00 23.12 23.39 1sku s ALA 188 CO 0.13 -0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.41 1sku s PRO 189 N -2.02 1.04 -1.34 0.00 0.04 -1.26 -4.86 135.00 126.60 1sku s PRO 189 Ca -0.09 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.61 1sku s PRO 189 Cb -0.03 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.77 1sku s PRO 189 CO -0.01 -2.39 1.91 -3.47 0.04 0.00 0.00 177.00 173.08 1sku n ASP 190 N -3.99 4.48 0.00 6.66 4.64 -1.26 -2.86 116.55 124.22 1sku n ASP 190 Ca 0.07 -2.88 0.00 0.00 -1.38 0.00 0.00 54.79 50.60 1sku n ASP 190 Cb 0.55 -1.71 0.00 0.00 -1.04 0.00 0.00 41.12 38.92 1sku n ASP 190 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sku n ALA 191 N 7.85 0.00 -0.90 -1.67 0.00 -1.26 -4.96 120.51 119.57 1sku n ALA 191 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.74 1sku n ALA 191 Cb 0.44 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.95 1sku n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sku n LEU 192 N 0.00 6.54 -4.85 0.00 4.77 -1.14 -4.95 117.00 117.38 1sku n LEU 192 Ca 0.00 -3.43 -0.31 0.00 -0.03 0.00 0.00 56.01 52.24 1sku n LEU 192 Cb 0.00 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1sku n LEU 192 CO 0.00 1.21 0.71 0.00 -1.33 0.00 0.00 177.39 177.98 1sku s ALA 193 N -2.28 3.01 0.32 -1.18 0.00 -1.23 -2.59 121.76 117.81 1sku s ALA 193 Ca 0.39 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 1sku s ALA 193 Cb 0.31 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 20.20 1sku s ALA 193 CO 0.01 -0.63 1.49 1.41 0.00 0.00 0.00 175.76 178.03 1sku s MET 194 N -4.74 4.18 1.00 0.00 1.75 -1.26 -2.87 119.30 117.35 1sku s MET 194 Ca 0.57 2.47 -0.12 0.00 -1.25 0.00 0.00 55.69 57.37 1sku s MET 194 Cb -0.11 -3.03 0.19 0.00 2.84 0.00 0.00 34.83 34.72 1sku s MET 194 CO 0.46 -0.49 1.08 -2.14 -0.65 0.00 0.00 175.02 173.28 1sku s PRO 195 N -1.21 0.41 0.49 4.11 0.02 -1.26 -4.92 135.00 132.64 1sku s PRO 195 Ca 0.57 0.99 0.27 0.00 0.02 0.00 0.00 61.00 62.86 1sku s PRO 195 Cb -0.45 -1.70 0.77 0.00 0.02 0.00 0.00 34.50 33.14 1sku s PRO 195 CO 0.53 -2.87 1.77 0.37 -0.33 0.00 0.00 177.00 176.47 1sku h GLN 196 N -2.01 0.00 0.00 5.54 5.75 -1.99 -3.12 115.11 119.27 1sku h GLN 196 Ca -0.52 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 57.82 1sku h GLN 196 Cb 1.30 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 1sku h GLN 196 CO 0.50 0.01 -0.76 0.10 -2.65 0.00 0.00 178.83 176.03 1sku h TYR 197 N 0.00 0.00 0.05 3.99 -0.00 -1.99 -2.05 116.97 116.97 1sku h TYR 197 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.46 1sku h TYR 197 Cb 0.80 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.55 1sku h TYR 197 CO 0.00 0.76 -1.11 0.82 -0.00 0.00 0.00 178.16 178.63 1sku h ILE 198 N 0.00 1.31 -0.01 -0.90 1.08 -1.94 -3.03 117.51 114.02 1sku h ILE 198 Ca -0.01 -2.39 -0.12 0.00 -0.39 0.00 0.00 64.86 61.96 1sku h ILE 198 Cb 1.42 2.52 -0.02 0.00 -3.07 0.00 0.00 36.82 37.68 1sku h ILE 198 CO 0.10 0.73 -0.56 -0.07 -0.69 0.00 0.00 178.15 177.66 1sku h LEU 199 N 0.32 0.03 -0.30 1.44 3.38 -1.55 -2.80 115.31 115.82 1sku h LEU 199 Ca -0.14 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1sku h LEU 199 Cb 1.77 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1sku h LEU 199 CO 0.21 0.58 -0.62 0.44 0.09 0.00 0.00 178.44 179.14 1sku h ASP 200 N 0.02 0.00 -0.24 -0.43 5.19 -1.46 -2.57 116.42 116.93 1sku h ASP 200 Ca -0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.29 1sku h ASP 200 Cb 0.99 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 1sku h ASP 200 CO 0.07 0.62 -0.24 -0.03 -3.12 0.00 0.00 179.24 176.54 1sku h MET 201 N 0.00 0.72 -0.00 3.56 4.05 -1.39 -2.72 114.93 119.14 1sku h MET 201 Ca -0.01 -0.30 -0.15 0.00 -0.28 0.00 0.00 59.70 58.97 1sku h MET 201 Cb 1.35 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.10 1sku h MET 201 CO 0.08 0.90 -0.71 -0.07 0.23 0.00 0.00 176.91 177.33 1sku h LEU 202 N 0.63 0.00 -0.70 3.39 3.38 -1.38 -2.96 115.31 117.68 1sku h LEU 202 Ca 0.08 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1sku h LEU 202 Cb 0.74 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1sku h LEU 202 CO 0.06 0.71 -0.54 0.44 0.09 0.00 0.00 178.44 179.21 1sku h ASP 203 N 0.00 0.00 0.32 -0.43 3.32 -1.44 -0.97 116.42 117.22 1sku h ASP 203 Ca -0.01 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1sku h ASP 203 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1sku h ASP 203 CO 0.09 0.54 -0.76 -0.08 -1.72 0.00 0.00 179.24 177.31 1sku h GLU 204 N 0.00 0.36 -0.21 3.56 4.81 -1.32 -3.25 114.58 118.53 1sku h GLU 204 Ca -0.01 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1sku h GLU 204 Cb 1.10 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1sku h GLU 204 CO 0.07 0.96 0.00 1.63 -0.73 0.00 0.00 179.01 180.94 1sku n LYS 205 N -3.81 2.13 -2.01 1.92 5.02 -1.14 -4.94 118.16 115.33 1sku n LYS 205 Ca -0.04 -1.69 -0.08 0.00 -2.02 0.00 0.00 58.31 54.48 1sku n LYS 205 Cb 0.72 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1sku n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sku n GLY 206 N 1.32 0.18 3.71 0.72 0.00 -1.18 -5.02 105.19 104.93 1sku n GLY 206 Ca 0.17 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1sku n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sku s ILE 207 N -2.38 5.25 0.12 -0.61 1.01 -0.38 -5.01 121.20 119.20 1sku s ILE 207 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.07 1sku s ILE 207 Cb 0.00 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 1sku s ILE 207 CO 0.00 0.34 0.95 0.00 0.00 0.00 0.00 174.94 176.23 1sku s ALA 208 N 0.68 3.26 0.16 9.38 0.00 -1.26 -4.44 121.76 129.55 1sku s ALA 208 Ca 0.20 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1sku s ALA 208 Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1sku s ALA 208 CO 0.07 -0.00 0.16 1.67 0.00 0.00 0.00 175.76 177.66 1sku s TRP 209 N -0.11 0.76 -0.28 0.00 1.48 -1.26 -2.65 118.94 116.89 1sku s TRP 209 Ca 0.46 -1.10 -0.25 0.00 -1.06 0.00 0.00 56.10 54.15 1sku s TRP 209 Cb -0.23 -0.34 0.11 0.00 -1.16 0.00 0.00 33.47 31.85 1sku s TRP 209 CO 0.30 -0.63 0.94 -1.54 -4.06 0.00 0.00 176.95 171.95 1sku s SER 210 N -3.05 -0.54 0.02 -2.66 1.04 -1.09 -5.00 113.70 102.41 1sku s SER 210 Ca 0.25 1.04 -0.27 0.00 0.48 0.00 0.00 55.95 57.46 1sku s SER 210 Cb 0.06 1.06 -0.04 0.00 0.10 0.00 0.00 66.02 67.20 1sku s SER 210 CO 0.04 -0.18 0.85 -0.76 0.98 0.00 0.00 173.24 174.17 1sku s LEU 211 N 0.31 4.41 0.28 2.42 1.43 -1.26 -2.76 118.68 123.50 1sku s LEU 211 Ca 0.02 1.52 0.12 0.00 -1.03 0.00 0.00 54.13 54.75 1sku s LEU 211 Cb -0.05 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 1sku s LEU 211 CO -0.04 -0.11 -0.19 -1.00 0.23 0.00 0.00 176.35 175.23 1sku s HIS 212 N 0.46 2.25 -0.07 0.29 3.76 -1.20 -4.95 115.29 115.84 1sku s HIS 212 Ca 0.44 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.91 1sku s HIS 212 Cb -0.21 -1.00 -0.29 0.00 1.11 0.00 0.00 32.58 32.20 1sku s HIS 212 CO 0.25 0.68 0.59 1.03 -0.85 0.00 0.00 174.74 176.44 1sku h SER 213 N 2.28 0.50 -5.33 1.40 0.87 -1.89 -3.30 113.55 108.07 1sku h SER 213 Ca -0.40 -0.85 -0.17 0.00 -1.23 0.00 0.00 61.79 59.14 1sku h SER 213 Cb 1.26 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 63.00 1sku h SER 213 CO 0.61 1.74 -0.04 -0.94 -0.53 0.00 0.00 176.83 177.66 1sku s SER 214 N -7.12 0.52 0.14 6.23 1.04 -1.26 -4.71 113.70 108.54 1sku s SER 214 Ca -0.17 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 54.84 1sku s SER 214 Cb 0.06 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.87 1sku s SER 214 CO 0.83 -1.40 1.52 0.40 0.98 0.00 0.00 173.24 175.57 1sku h ILE 215 N 2.09 1.28 0.00 -1.02 1.08 -1.92 -3.18 117.51 115.85 1sku h ILE 215 Ca -0.29 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.81 1sku h ILE 215 Cb 1.24 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1sku h ILE 215 CO 0.39 0.46 0.00 1.05 -0.69 0.00 0.00 178.15 179.36 1sku h GLU 216 N 0.73 0.00 0.00 2.37 -0.00 -1.90 -2.26 114.58 113.52 1sku h GLU 216 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.37 1sku h GLU 216 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.53 1sku h GLU 216 CO 0.07 0.00 -0.40 1.49 -0.00 0.00 0.00 179.01 180.16 1sku h GLU 217 N 0.00 0.00 -0.00 1.06 4.81 -1.98 -3.27 114.58 115.20 1sku h GLU 217 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sku h GLU 217 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1sku h GLU 217 CO 0.00 0.40 -0.29 1.33 -0.73 0.00 0.00 179.01 179.73 1sku n VAL 218 N -3.38 0.00 0.26 0.32 0.24 -1.10 -4.76 118.33 109.91 1sku n VAL 218 Ca 0.01 -0.36 0.13 0.00 -2.04 0.00 0.00 64.34 62.08 1sku n VAL 218 Cb 0.59 1.06 0.80 0.00 -1.47 0.00 0.00 33.84 34.81 1sku n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1sku h MET 219 N 0.55 0.00 -0.75 7.34 4.05 -1.46 -2.65 114.93 122.00 1sku h MET 219 Ca 0.00 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1sku h MET 219 Cb 0.26 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.01 1sku h MET 219 CO 0.00 0.00 0.46 0.00 0.23 0.00 0.00 176.91 177.60 1sku h ALA 220 N 1.97 1.01 -3.31 0.39 0.00 -1.81 -3.30 119.26 114.21 1sku h ALA 220 Ca 0.02 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.30 1sku h ALA 220 Cb 0.08 -0.20 -0.40 0.00 0.00 0.00 0.00 17.79 17.27 1sku h ALA 220 CO -0.00 0.20 -0.71 -1.83 0.00 0.00 0.00 179.25 176.90 1sku s GLU 221 N -6.09 1.34 -0.15 0.00 1.03 -1.00 -4.66 118.70 109.17 1sku s GLU 221 Ca -0.13 -1.87 -0.09 0.00 0.03 0.00 0.00 54.97 52.92 1sku s GLU 221 Cb 0.17 -2.70 0.05 0.00 -0.80 0.00 0.00 34.13 30.85 1sku s GLU 221 CO 0.77 -1.04 0.37 0.14 -1.33 0.00 0.00 175.26 174.17 1sku s VAL 222 N 0.69 -0.03 -0.16 1.83 -7.23 -1.26 -4.91 120.40 109.33 1sku s VAL 222 Ca 0.14 0.09 0.17 0.00 -1.81 0.00 0.00 61.98 60.57 1sku s VAL 222 Cb -0.21 -0.55 -0.25 0.00 0.56 0.00 0.00 36.38 35.93 1sku s VAL 222 CO -0.08 0.04 0.21 0.47 -0.31 0.00 0.00 175.10 175.42 1sku n ASP 223 N 4.09 0.18 -4.05 4.85 8.00 -0.98 -4.32 116.55 124.32 1sku n ASP 223 Ca -0.23 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.23 1sku n ASP 223 Cb 0.55 0.81 -0.12 0.00 -0.02 0.00 0.00 41.12 42.34 1sku n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sku s ILE 224 N -2.54 0.49 -0.48 0.53 -1.09 -1.20 -2.43 121.20 114.48 1sku s ILE 224 Ca -0.09 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.36 1sku s ILE 224 Cb 0.07 -0.56 0.17 0.00 -1.58 0.00 0.00 42.46 40.56 1sku s ILE 224 CO 0.83 -0.37 0.38 -0.11 -1.23 0.00 0.00 174.94 174.45 1sku n LEU 225 N 1.56 0.36 -4.71 2.97 7.94 -1.06 -2.30 117.00 121.74 1sku n LEU 225 Ca -0.22 -4.58 -0.42 0.00 -1.11 0.00 0.00 56.01 49.68 1sku n LEU 225 Cb 0.55 0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.72 1sku n LEU 225 CO 0.21 1.85 1.28 -0.47 -1.11 0.00 0.00 177.39 179.15 1sku s TYR 226 N -0.35 2.93 -0.02 1.96 5.04 -0.83 -2.52 117.35 123.56 1sku s TYR 226 Ca 0.31 0.50 0.07 0.00 -2.44 0.00 0.00 57.07 55.52 1sku s TYR 226 Cb 0.03 -3.99 -0.02 0.00 0.35 0.00 0.00 41.96 38.33 1sku s TYR 226 CO -0.19 -3.73 -0.24 -1.64 -1.34 0.00 0.00 175.55 168.41 1sku s MET 227 N 1.36 1.96 0.50 4.97 -1.94 -0.90 -2.08 119.30 123.17 1sku s MET 227 Ca 0.72 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.92 1sku s MET 227 Cb -0.45 -1.87 0.02 0.00 2.01 0.00 0.00 34.83 34.53 1sku s MET 227 CO 0.32 0.50 0.41 0.95 -0.01 0.00 0.00 175.02 177.19 1sku s THR 228 N -0.53 2.04 0.01 2.05 -4.23 -1.07 -4.12 115.64 109.79 1sku s THR 228 Ca 0.08 -1.43 -0.27 0.00 -1.18 0.00 0.00 61.69 58.90 1sku s THR 228 Cb -0.09 -2.46 -0.15 0.00 1.34 0.00 0.00 72.50 71.14 1sku s THR 228 CO -0.01 0.00 1.12 -0.09 -0.54 0.00 0.00 174.62 175.10 1sku h ARG 229 N 0.84 -0.89 -5.70 3.99 2.43 -1.89 -3.46 114.38 109.69 1sku h ARG 229 Ca -0.38 0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.72 1sku h ARG 229 Cb 1.29 0.20 0.01 0.00 -0.42 0.00 0.00 29.97 31.05 1sku h ARG 229 CO 0.57 -0.58 -0.74 0.28 -1.51 0.00 0.00 179.97 177.99 1sku n VAL 230 N -5.39 -8.76 -2.81 0.20 0.31 -1.26 -4.80 118.33 95.81 1sku n VAL 230 Ca -0.12 0.63 -0.31 0.00 -0.01 0.00 0.00 64.34 64.53 1sku n VAL 230 Cb 0.37 -6.07 -0.04 0.00 -0.91 0.00 0.00 33.84 27.18 1sku n VAL 230 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sku s GLN 231 N -2.55 3.91 0.29 5.55 -2.07 -1.26 -4.90 119.66 118.63 1sku s GLN 231 Ca 0.29 0.69 0.11 0.00 -1.82 0.00 0.00 55.36 54.64 1sku s GLN 231 Cb -0.06 -2.32 0.41 0.00 -1.09 0.00 0.00 33.01 29.95 1sku s GLN 231 CO 0.81 -0.04 1.64 0.87 -1.32 0.00 0.00 175.29 177.24 1sku h LYS 232 N 1.48 0.00 -4.15 9.60 1.57 -1.94 -3.32 116.57 119.81 1sku h LYS 232 Ca -0.47 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.57 1sku h LYS 232 Cb 1.18 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.37 1sku h LYS 232 CO 0.63 0.58 2.16 0.39 -0.57 0.00 0.00 179.45 182.65 1sku n GLU 233 N -3.79 3.35 0.07 3.15 1.02 -1.26 -4.14 120.64 119.03 1sku n GLU 233 Ca -0.01 -3.35 0.00 0.00 -0.02 0.00 0.00 57.16 53.78 1sku n GLU 233 Cb 0.59 -3.10 0.00 0.00 -0.02 0.00 0.00 31.44 28.91 1sku n GLU 233 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sku n ARG 234 N 5.27 0.00 -4.19 3.49 5.12 -1.25 -5.10 116.66 120.00 1sku n ARG 234 Ca 0.43 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 56.00 1sku n ARG 234 Cb 0.39 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.61 1sku n ARG 234 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1sku s LEU 235 N -5.58 3.86 0.77 0.55 2.34 -1.26 -5.09 118.68 114.26 1sku s LEU 235 Ca 0.00 0.23 -0.14 0.00 0.06 0.00 0.00 54.13 54.28 1sku s LEU 235 Cb 0.00 -1.98 0.06 0.00 -0.56 0.00 0.00 46.19 43.71 1sku s LEU 235 CO 0.00 0.36 1.21 1.51 -1.06 0.00 0.00 176.35 178.37 1sku s ASP 236 N -1.11 3.87 0.52 1.48 -4.77 -1.26 -4.46 116.67 110.94 1sku s ASP 236 Ca 0.16 2.37 0.20 0.00 -3.30 0.00 0.00 52.55 51.98 1sku s ASP 236 Cb -0.12 -2.59 1.30 0.00 -1.09 0.00 0.00 42.92 40.43 1sku s ASP 236 CO 0.05 -2.48 2.06 1.55 0.70 0.00 0.00 175.17 177.05 1sku h PRO 237 N -0.61 0.04 -0.20 2.11 0.13 -1.99 -0.31 132.00 131.17 1sku h PRO 237 Ca -0.47 -0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 1sku h PRO 237 Cb 1.30 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1sku h PRO 237 CO 0.48 0.03 -0.71 0.66 -0.23 0.00 0.00 178.00 178.22 1sku h SER 238 N 0.04 0.97 -0.06 1.44 4.64 -2.00 -2.57 113.55 116.01 1sku h SER 238 Ca 0.14 -0.60 -0.15 0.00 -0.47 0.00 0.00 61.79 60.71 1sku h SER 238 Cb 0.52 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1sku h SER 238 CO -0.01 1.40 -0.47 -0.08 -0.87 0.00 0.00 176.83 176.80 1sku h GLU 239 N 0.59 0.61 -0.01 4.77 4.81 -1.53 -2.84 114.58 120.98 1sku h GLU 239 Ca -0.03 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 1sku h GLU 239 Cb 1.34 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 1sku h GLU 239 CO 0.15 0.95 -0.50 -0.92 -0.73 0.00 0.00 179.01 177.96 1sku h TYR 240 N 0.49 0.03 -0.06 0.92 5.03 -1.17 -3.04 116.97 119.18 1sku h TYR 240 Ca 0.03 -0.01 -0.23 0.00 2.58 0.00 0.00 58.73 61.10 1sku h TYR 240 Cb 1.00 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 39.29 1sku h TYR 240 CO 0.04 0.52 -0.90 0.00 -1.32 0.00 0.00 178.16 176.51 1sku h ALA 241 N 1.48 0.31 0.07 1.82 0.00 -1.38 -3.00 119.26 118.54 1sku h ALA 241 Ca -0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 1sku h ALA 241 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sku h ALA 241 CO 0.07 0.73 -0.03 -0.97 0.00 0.00 0.00 179.25 179.04 1sku h ASN 242 N 0.39 -0.08 -0.49 0.00 -0.73 -1.50 -3.33 115.58 109.85 1sku h ASN 242 Ca -0.08 -0.54 -0.12 0.00 1.87 0.00 0.00 56.30 57.44 1sku h ASN 242 Cb 1.53 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 40.12 1sku h ASN 242 CO 0.17 0.56 -0.13 -0.37 -0.37 0.00 0.00 177.43 177.29 1sku h VAL 243 N -0.79 1.27 -0.67 2.57 -1.51 -1.70 -3.38 116.25 112.05 1sku h VAL 243 Ca -0.01 -1.28 -0.33 0.00 -1.23 0.00 0.00 66.70 63.85 1sku h VAL 243 Cb 0.61 1.01 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 1sku h VAL 243 CO 0.02 0.45 0.89 0.21 -1.23 0.00 0.00 177.57 177.90 1sku s ASN 244 N -6.68 5.21 0.00 4.19 2.47 -1.13 -3.92 114.94 115.08 1sku s ASN 244 Ca -0.11 -1.02 0.00 0.00 0.42 0.00 0.00 52.86 52.15 1sku s ASN 244 Cb 0.13 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1sku s ASN 244 CO 0.86 -2.75 0.00 0.00 -3.72 0.00 0.00 177.10 171.49 1sku n ALA 245 N 13.75 1.07 -0.03 1.71 0.00 -1.26 -4.88 120.51 130.87 1sku n ALA 245 Ca 0.41 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.89 1sku n ALA 245 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 1sku n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sku n GLN 246 N -2.48 0.79 0.20 0.00 3.00 -1.25 -4.54 117.38 113.10 1sku n GLN 246 Ca 0.00 -0.11 0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1sku n GLN 246 Cb 0.00 -1.42 0.36 0.00 0.00 0.00 0.00 30.24 29.17 1sku n GLN 246 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1sku h PHE 247 N 0.00 0.00 -3.27 1.08 -1.00 -1.90 -3.38 116.94 108.47 1sku h PHE 247 Ca -0.15 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.11 1sku h PHE 247 Cb 1.21 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.81 1sku h PHE 247 CO 0.00 0.31 0.72 0.14 -1.61 0.00 0.00 178.31 177.86 1sku s VAL 248 N -3.54 3.01 -0.82 -0.55 -7.23 -1.26 -4.91 120.40 105.09 1sku s VAL 248 Ca 0.01 0.81 -0.19 0.00 -1.81 0.00 0.00 61.98 60.79 1sku s VAL 248 Cb 0.10 -3.51 0.12 0.00 0.56 0.00 0.00 36.38 33.64 1sku s VAL 248 CO 0.67 0.11 1.03 -0.22 -0.31 0.00 0.00 175.10 176.37 1sku s LEU 249 N 0.11 5.00 0.78 1.32 2.96 -0.65 -5.01 118.68 123.20 1sku s LEU 249 Ca 0.60 -1.75 -0.11 0.00 -0.22 0.00 0.00 54.13 52.65 1sku s LEU 249 Cb -0.39 -2.39 0.07 0.00 0.50 0.00 0.00 46.19 43.99 1sku s LEU 249 CO 0.38 -1.14 1.15 -0.13 -1.32 0.00 0.00 176.35 175.28 1sku s ARG 250 N 2.92 2.08 0.06 1.98 0.52 -1.26 -4.13 118.95 121.12 1sku s ARG 250 Ca 0.27 0.09 0.24 0.00 -0.52 0.00 0.00 55.73 55.81 1sku s ARG 250 Cb -0.10 -1.99 0.97 0.00 0.52 0.00 0.00 34.95 34.35 1sku s ARG 250 CO -0.03 -1.49 1.76 0.00 0.02 0.00 0.00 175.30 175.55 1sku n ALA 251 N -3.23 2.07 0.25 2.13 0.00 -1.26 -3.15 120.51 117.32 1sku n ALA 251 Ca 0.08 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1sku n ALA 251 Cb 0.61 -1.40 0.54 0.00 0.00 0.00 0.00 19.45 19.20 1sku n ALA 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sku h SER 252 N 0.00 0.00 -2.01 0.00 4.64 -1.99 -3.24 113.55 110.95 1sku h SER 252 Ca 0.00 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.60 1sku h SER 252 Cb 0.46 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.23 1sku h SER 252 CO 0.00 0.10 0.50 -0.90 -0.87 0.00 0.00 176.83 175.66 1sku n ASP 253 N -3.23 6.57 -0.10 4.97 5.68 -1.19 -4.37 116.55 124.88 1sku n ASP 253 Ca 0.01 -3.76 0.01 0.00 -0.50 0.00 0.00 54.79 50.54 1sku n ASP 253 Cb 0.38 -0.91 0.01 0.00 -1.14 0.00 0.00 41.12 39.45 1sku n ASP 253 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sku n LEU 254 N -0.36 0.43 0.12 -2.12 4.77 -1.22 -4.87 117.00 113.75 1sku n LEU 254 Ca 0.46 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1sku n LEU 254 Cb 0.34 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1sku n LEU 254 CO 0.46 0.16 0.41 1.12 -1.33 0.00 0.00 177.39 178.21 1sku h HIS 255 N 0.00 0.00 -0.00 -1.77 2.07 -1.83 -3.05 115.15 110.56 1sku h HIS 255 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sku h HIS 255 Cb 1.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.98 1sku h HIS 255 CO 0.02 0.63 -0.37 0.09 -3.07 0.00 0.00 177.93 175.23 1sku n ASN 256 N -3.34 0.59 -4.73 3.10 3.02 -1.26 -4.97 115.26 107.67 1sku n ASN 256 Ca 0.01 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.77 1sku n ASN 256 Cb 0.75 0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 40.06 1sku n ASN 256 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sku n ALA 257 N -1.25 1.74 -1.29 5.41 0.00 -1.16 -4.31 120.51 119.67 1sku n ALA 257 Ca 0.08 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 1sku n ALA 257 Cb 0.33 -2.32 0.13 0.00 0.00 0.00 0.00 19.45 17.59 1sku n ALA 257 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sku s LYS 258 N -2.01 1.38 0.49 0.00 1.02 -1.26 -4.95 119.74 114.41 1sku s LYS 258 Ca 0.55 0.75 0.27 0.00 0.02 0.00 0.00 55.97 57.57 1sku s LYS 258 Cb -0.52 -1.83 1.13 0.00 -0.52 0.00 0.00 37.83 36.09 1sku s LYS 258 CO 0.62 -2.13 1.91 0.00 -0.92 0.00 0.00 175.35 174.83 1sku h ALA 259 N -1.47 1.05 -0.31 5.17 0.00 -1.93 -3.08 119.26 118.68 1sku h ALA 259 Ca -0.49 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1sku h ALA 259 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1sku h ALA 259 CO 0.56 0.18 0.00 0.27 0.00 0.00 0.00 179.25 180.26 1sku n ASN 260 N -3.33 3.51 -4.78 0.00 0.23 -1.26 -5.00 115.26 104.63 1sku n ASN 260 Ca -0.00 -2.56 -0.37 0.00 -0.53 0.00 0.00 54.58 51.12 1sku n ASN 260 Cb 0.37 -0.41 -0.03 0.00 -2.08 0.00 0.00 39.78 37.62 1sku n ASN 260 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1sku s MET 261 N -2.01 4.08 -0.13 -3.83 1.75 -1.17 -4.77 119.30 113.22 1sku s MET 261 Ca 0.34 1.60 -0.04 0.00 -1.25 0.00 0.00 55.69 56.34 1sku s MET 261 Cb 0.25 -2.53 0.06 0.00 2.84 0.00 0.00 34.83 35.44 1sku s MET 261 CO 0.12 -0.24 0.17 0.15 -0.65 0.00 0.00 175.02 174.58 1sku s LYS 262 N -2.51 0.08 0.01 4.11 3.01 -1.02 -4.55 119.74 118.87 1sku s LYS 262 Ca 0.59 0.38 -0.30 0.00 -1.01 0.00 0.00 55.97 55.63 1sku s LYS 262 Cb -0.24 -0.74 -0.04 0.00 -1.01 0.00 0.00 37.83 35.80 1sku s LYS 262 CO 0.30 -0.45 1.08 0.08 0.51 0.00 0.00 175.35 176.87 1sku s VAL 263 N 2.29 4.50 0.39 3.17 1.01 -1.05 -2.58 120.40 128.13 1sku s VAL 263 Ca 0.04 1.80 0.08 0.00 0.00 0.00 0.00 61.98 63.89 1sku s VAL 263 Cb -0.14 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1sku s VAL 263 CO -0.08 0.11 0.22 -0.76 0.00 0.00 0.00 175.10 174.60 1sku s LEU 264 N 1.24 3.25 -0.29 3.92 1.43 -1.05 -3.50 118.68 123.68 1sku s LEU 264 Ca 0.54 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 1sku s LEU 264 Cb -0.24 -1.72 0.14 0.00 0.03 0.00 0.00 46.19 44.40 1sku s LEU 264 CO 0.27 -0.49 0.94 -2.28 0.23 0.00 0.00 176.35 175.03 1sku s HIS 265 N -2.50 -0.63 0.24 0.29 2.46 -1.26 -2.11 115.29 111.78 1sku s HIS 265 Ca 0.42 1.25 0.06 0.00 0.47 0.00 0.00 55.06 57.26 1sku s HIS 265 Cb -0.00 0.37 0.25 0.00 -0.13 0.00 0.00 32.58 33.07 1sku s HIS 265 CO 0.24 -0.31 1.56 -1.00 -2.47 0.00 0.00 174.74 172.76 1sku h PRO 266 N 6.19 0.16 0.00 2.88 0.13 -1.93 -3.46 132.00 135.96 1sku h PRO 266 Ca -0.28 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1sku h PRO 266 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1sku h PRO 266 CO 0.19 0.74 0.00 1.28 -0.23 0.00 0.00 178.00 179.98 1sku n LEU 267 N -3.82 -0.00 0.00 1.56 4.32 -1.26 -5.03 117.00 112.76 1sku n LEU 267 Ca -0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.82 1sku n LEU 267 Cb 0.64 0.63 0.10 0.00 -1.62 0.00 0.00 43.42 43.16 1sku n LEU 267 CO 0.44 0.00 0.44 -0.81 -1.22 0.00 0.00 177.39 176.24 1sku n PRO 268 N -0.19 -0.44 -4.02 3.23 -0.04 -1.26 -5.01 135.00 127.27 1sku n PRO 268 Ca 0.00 -1.26 -0.08 0.00 -0.04 0.00 0.00 63.50 62.12 1sku n PRO 268 Cb 0.00 -0.64 -0.10 0.00 -0.04 0.00 0.00 33.50 32.72 1sku n PRO 268 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1sku s ARG 269 N -4.40 0.58 0.34 0.54 1.04 -1.26 -4.63 118.95 111.16 1sku s ARG 269 Ca 0.40 -1.01 0.00 0.00 -1.04 0.00 0.00 55.73 54.08 1sku s ARG 269 Cb -0.01 0.21 0.00 0.00 -2.04 0.00 0.00 34.95 33.11 1sku s ARG 269 CO 0.28 -0.12 0.00 1.55 -0.04 0.00 0.00 175.30 176.97 1sku n VAL 270 N 0.45 0.00 -1.82 4.99 3.14 -1.26 -4.99 118.33 118.84 1sku n VAL 270 Ca -0.17 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.12 1sku n VAL 270 Cb 0.60 -0.11 0.11 0.00 -1.06 0.00 0.00 33.84 33.38 1sku n VAL 270 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1sku n ASP 271 N -3.26 3.34 -0.00 6.55 8.00 -1.26 -4.64 116.55 125.29 1sku n ASP 271 Ca 0.00 -3.82 -0.00 0.00 0.71 0.00 0.00 54.79 51.68 1sku n ASP 271 Cb 0.00 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1sku n ASP 271 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sku n GLU 272 N -0.91 0.00 -4.50 -1.24 4.71 -1.26 -4.86 120.64 112.59 1sku n GLU 272 Ca 0.32 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.17 1sku n GLU 272 Cb 0.83 -0.80 -0.17 0.00 -1.01 0.00 0.00 31.44 30.30 1sku n GLU 272 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1sku s ILE 273 N -2.00 1.66 0.87 -3.67 1.09 -1.26 -1.63 121.20 116.26 1sku s ILE 273 Ca -0.00 -0.74 -0.12 0.00 -1.10 0.00 0.00 60.65 58.69 1sku s ILE 273 Cb 0.00 -1.50 0.12 0.00 -1.06 0.00 0.00 42.46 40.02 1sku s ILE 273 CO 0.00 0.47 1.14 0.00 -0.10 0.00 0.00 174.94 176.45 1sku s ALA 274 N 0.96 2.01 -0.53 9.38 0.00 -1.26 -4.70 121.76 127.61 1sku s ALA 274 Ca -0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1sku s ALA 274 Cb -0.15 -3.03 0.22 0.00 0.00 0.00 0.00 23.12 20.16 1sku s ALA 274 CO -0.02 -2.08 2.32 0.25 0.00 0.00 0.00 175.76 176.23 1sku n THR 275 N -3.63 3.30 -0.47 0.00 -2.24 -1.26 -3.84 114.28 106.14 1sku n THR 275 Ca 0.07 -2.91 0.00 0.00 -2.27 0.00 0.00 64.05 58.94 1sku n THR 275 Cb 0.59 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1sku n THR 275 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sku n ASP 276 N 0.17 0.94 -1.21 3.42 5.68 -1.26 -4.69 116.55 119.60 1sku n ASP 276 Ca 0.48 -1.42 0.11 0.00 -0.50 0.00 0.00 54.79 53.46 1sku n ASP 276 Cb 0.51 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.75 1sku n ASP 276 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1sku n VAL 277 N -0.21 0.77 0.07 2.12 0.31 -1.25 -4.33 118.33 115.80 1sku n VAL 277 Ca 0.00 -0.88 -0.03 0.00 -0.01 0.00 0.00 64.34 63.42 1sku n VAL 277 Cb 0.32 0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 33.90 1sku n VAL 277 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1sku h ASP 278 N 4.19 0.00 -1.66 4.52 5.19 -1.86 -3.37 116.42 123.44 1sku h ASP 278 Ca 0.00 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.73 1sku h ASP 278 Cb 0.96 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.24 1sku h ASP 278 CO 0.00 0.76 0.88 0.29 -3.12 0.00 0.00 179.24 178.05 1sku n LYS 279 N -3.17 2.85 -4.20 3.56 4.76 -1.26 -4.79 118.16 115.90 1sku n LYS 279 Ca -0.04 -3.17 -0.12 0.00 -2.87 0.00 0.00 58.31 52.11 1sku n LYS 279 Cb 0.87 -2.25 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 1sku n LYS 279 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1sku s THR 280 N -3.91 0.41 -0.45 -0.18 -4.23 -1.26 -5.03 115.64 100.99 1sku s THR 280 Ca 0.54 -1.95 0.26 0.00 -1.18 0.00 0.00 61.69 59.36 1sku s THR 280 Cb 0.40 -2.11 0.30 0.00 1.34 0.00 0.00 72.50 72.42 1sku s THR 280 CO -0.32 -0.45 1.77 1.55 -0.54 0.00 0.00 174.62 176.63 1sku h PRO 281 N 2.76 0.00 -0.00 3.99 0.13 -1.92 -3.11 132.00 133.84 1sku h PRO 281 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1sku h PRO 281 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1sku h PRO 281 CO 0.61 0.00 -0.15 0.72 -0.23 0.00 0.00 178.00 178.95 1sku n HIS 282 N -2.50 0.00 -2.09 1.56 8.25 -1.26 -4.83 115.22 114.36 1sku n HIS 282 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 1sku n HIS 282 Cb 0.34 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1sku n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sku s ALA 283 N -2.78 3.26 -0.37 -1.41 0.00 -1.18 -2.53 121.76 116.75 1sku s ALA 283 Ca 0.20 0.49 0.10 0.00 0.00 0.00 0.00 51.96 52.75 1sku s ALA 283 Cb 0.19 -3.86 0.39 0.00 0.00 0.00 0.00 23.12 19.84 1sku s ALA 283 CO 0.54 -1.97 1.41 1.87 0.00 0.00 0.00 175.76 177.62 1sku n TRP 284 N 8.52 -2.27 -0.00 0.00 -0.00 -1.24 -4.95 117.44 117.50 1sku n TRP 284 Ca 0.19 -1.81 -0.00 0.00 -0.00 0.00 0.00 57.50 55.89 1sku n TRP 284 Cb 0.45 1.58 -0.01 0.00 -0.00 0.00 0.00 31.31 33.33 1sku n TRP 284 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 177.69 180.17 1sku n TYR 285 N -0.94 0.00 -0.06 5.87 0.18 -1.23 -4.28 117.16 116.71 1sku n TYR 285 Ca -0.09 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.56 1sku n TYR 285 Cb 0.85 -0.05 -0.07 0.00 -0.38 0.00 0.00 39.34 39.70 1sku n TYR 285 CO 0.00 0.00 0.00 0.74 -2.08 0.00 0.00 176.86 175.52 1sku h PHE 286 N 0.00 0.54 -0.00 -3.48 -1.00 -1.92 -3.19 116.94 107.88 1sku h PHE 286 Ca -0.02 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1sku h PHE 286 Cb 0.62 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1sku h PHE 286 CO 0.00 0.84 -0.02 0.00 -1.61 0.00 0.00 178.31 177.52 1sku n GLN 287 N -4.46 1.04 0.01 1.51 0.00 -1.26 -3.00 117.38 111.22 1sku n GLN 287 Ca -0.06 -0.24 -0.19 0.00 0.00 0.00 0.00 57.00 56.51 1sku n GLN 287 Cb 0.41 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.07 1sku n GLN 287 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1sku h GLN 288 N 0.59 0.75 -0.11 2.61 4.15 -1.73 -1.41 115.11 119.95 1sku h GLN 288 Ca 0.00 -0.71 -0.13 0.00 0.77 0.00 0.00 58.65 58.59 1sku h GLN 288 Cb 0.19 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1sku h GLN 288 CO 0.00 1.29 -0.49 0.00 -1.93 0.00 0.00 178.83 177.71 1sku h ALA 289 N 0.48 0.98 0.00 3.38 0.00 -1.58 -1.90 119.26 120.61 1sku h ALA 289 Ca -0.09 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1sku h ALA 289 Cb 1.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1sku h ALA 289 CO 0.18 0.65 -0.29 0.78 0.00 0.00 0.00 179.25 180.58 1sku h GLY 290 N 1.30 0.00 2.00 0.00 0.00 -1.56 -1.94 103.07 102.86 1sku h GLY 290 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1sku h GLY 290 CO 0.08 0.00 0.00 3.43 0.00 0.00 0.00 176.54 180.05 1sku h ASN 291 N 0.00 0.00 0.83 0.19 2.35 -0.83 -3.04 115.58 115.07 1sku h ASN 291 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sku h ASN 291 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1sku h ASN 291 CO 0.04 0.00 0.00 1.23 -1.65 0.00 0.00 177.43 177.05 1sku h GLY 292 N 3.50 0.00 0.96 2.83 0.00 -0.56 -2.40 103.07 107.41 1sku h GLY 292 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1sku h GLY 292 CO 0.00 0.00 0.05 -2.22 0.00 0.00 0.00 176.54 174.37 1sku h ILE 293 N 0.00 1.25 0.00 2.60 1.08 -1.55 -2.33 117.51 118.56 1sku h ILE 293 Ca 0.00 -0.94 -0.08 0.00 -0.39 0.00 0.00 64.86 63.45 1sku h ILE 293 Cb 0.41 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1sku h ILE 293 CO 0.00 0.33 -0.38 -0.26 -0.69 0.00 0.00 178.15 177.14 1sku h PHE 294 N 0.60 0.00 0.04 1.37 0.05 -1.65 -1.43 116.94 115.91 1sku h PHE 294 Ca 0.13 0.00 -0.22 0.00 3.82 0.00 0.00 57.97 61.70 1sku h PHE 294 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.36 1sku h PHE 294 CO 0.03 0.38 -1.02 0.00 -0.18 0.00 0.00 178.31 177.53 1sku h ALA 295 N 1.62 0.35 0.00 2.45 0.00 -1.44 -2.33 119.26 119.90 1sku h ALA 295 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1sku h ALA 295 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sku h ALA 295 CO 0.05 1.00 -0.65 0.54 0.00 0.00 0.00 179.25 180.19 1sku n ARG 296 N -3.56 0.23 0.08 0.00 1.74 -0.88 -2.77 116.66 111.51 1sku n ARG 296 Ca -0.04 0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 1sku n ARG 296 Cb 0.90 -1.63 -0.15 0.00 -1.02 0.00 0.00 32.46 30.56 1sku n ARG 296 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1sku h GLN 297 N 0.00 0.37 -0.13 5.56 4.15 -1.28 -2.91 115.11 120.87 1sku h GLN 297 Ca 0.00 -0.63 -0.13 0.00 0.77 0.00 0.00 58.65 58.66 1sku h GLN 297 Cb 0.69 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1sku h GLN 297 CO 0.00 1.27 -0.50 0.00 -1.93 0.00 0.00 178.83 177.67 1sku h ALA 298 N 0.26 0.91 0.00 3.38 0.00 -1.53 -2.34 119.26 119.94 1sku h ALA 298 Ca -0.29 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1sku h ALA 298 Cb 2.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 1sku h ALA 298 CO 0.19 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.34 1sku h LEU 299 N 0.27 0.00 0.00 0.00 5.85 -1.61 -2.94 115.31 116.88 1sku h LEU 299 Ca 0.01 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.54 1sku h LEU 299 Cb 0.98 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1sku h LEU 299 CO 0.08 0.01 -1.70 0.18 -0.34 0.00 0.00 178.44 176.68 1sku n LEU 300 N -3.10 0.59 0.09 2.25 4.32 -1.10 -4.09 117.00 115.95 1sku n LEU 300 Ca 0.03 0.26 -0.12 0.00 -0.02 0.00 0.00 56.01 56.15 1sku n LEU 300 Cb 0.45 0.15 -0.13 0.00 -1.62 0.00 0.00 43.42 42.27 1sku n LEU 300 CO 0.31 0.21 0.02 0.00 -1.22 0.00 0.00 177.39 176.72 1sku h ALA 301 N 1.38 0.20 -0.34 -1.18 0.00 -1.43 -2.71 119.26 115.18 1sku h ALA 301 Ca -0.23 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 53.68 1sku h ALA 301 Cb 1.67 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1sku h ALA 301 CO 0.04 1.09 -0.23 -0.07 0.00 0.00 0.00 179.25 180.08 1sku h LEU 302 N 0.04 0.67 0.04 0.00 3.38 -1.71 -2.59 115.31 115.15 1sku h LEU 302 Ca -0.09 -0.23 -0.28 0.00 0.09 0.00 0.00 57.88 57.37 1sku h LEU 302 Cb 1.89 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 1sku h LEU 302 CO 0.17 0.89 -1.52 0.58 0.09 0.00 0.00 178.44 178.65 1sku h VAL 303 N 0.58 1.11 -0.55 1.22 2.07 -1.68 -3.26 116.25 115.75 1sku h VAL 303 Ca 0.08 -2.87 -0.16 0.00 0.82 0.00 0.00 66.70 64.57 1sku h VAL 303 Cb 0.71 2.61 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 1sku h VAL 303 CO 0.05 0.71 0.14 0.18 0.02 0.00 0.00 177.57 178.68 1sku n LEU 304 N -3.25 5.17 -3.68 2.57 4.77 -1.02 -2.89 117.00 118.66 1sku n LEU 304 Ca -0.14 -3.29 -0.09 0.00 -0.03 0.00 0.00 56.01 52.46 1sku n LEU 304 Cb 1.02 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 1sku n LEU 304 CO 0.47 0.87 0.13 0.21 -1.33 0.00 0.00 177.39 177.73 1sku s ASN 305 N -1.57 -0.62 0.11 -1.43 2.47 -0.98 -4.93 114.94 108.00 1sku s ASN 305 Ca 0.50 1.07 -0.29 0.00 0.42 0.00 0.00 52.86 54.56 1sku s ASN 305 Cb 0.41 1.01 -0.10 0.00 -1.45 0.00 0.00 41.25 41.12 1sku s ASN 305 CO 0.10 -0.21 1.62 0.08 -3.72 0.00 0.00 177.10 174.97 1sku h ARG 306 N 7.20 -0.56 -3.82 0.43 -0.00 -1.86 -3.44 114.38 112.33 1sku h ARG 306 Ca -0.33 0.04 -0.13 0.00 -0.00 0.00 0.00 59.98 59.56 1sku h ARG 306 Cb 1.19 0.13 -0.17 0.00 -0.00 0.00 0.00 29.97 31.11 1sku h ARG 306 CO 0.24 -0.38 -0.53 0.16 -0.00 0.00 0.00 179.97 179.47 1sku s ASP 307 N -4.73 0.19 -0.02 0.08 -4.77 -1.26 -4.41 116.67 101.74 1sku s ASP 307 Ca -0.16 -0.55 -0.02 0.00 -3.30 0.00 0.00 52.55 48.52 1sku s ASP 307 Cb 0.07 0.23 0.01 0.00 -1.09 0.00 0.00 42.92 42.14 1sku s ASP 307 CO 0.64 -0.52 0.05 -1.48 0.70 0.00 0.00 175.17 174.57 1sku s LEU 308 N -2.17 1.62 -0.35 2.11 2.34 -1.26 -5.11 118.68 115.85 1sku s LEU 308 Ca -0.04 0.11 0.02 0.00 0.06 0.00 0.00 54.13 54.27 1sku s LEU 308 Cb -0.01 0.15 0.11 0.00 -0.56 0.00 0.00 46.19 45.88 1sku s LEU 308 CO -0.05 -0.04 0.12 0.68 -1.06 0.00 0.00 176.35 175.99 1sku s VAL 309 N 0.27 1.52 -2.64 1.48 -7.23 -1.26 -5.23 120.40 107.30 1sku s VAL 309 Ca -0.02 -2.01 0.27 0.00 -1.81 0.00 0.00 61.98 58.40 1sku s VAL 309 Cb -0.03 -2.12 0.45 0.00 0.56 0.00 0.00 36.38 35.24 1sku s VAL 309 CO -0.01 -0.70 1.61 0.18 -0.31 0.00 0.00 175.10 175.87