#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sku n ASN 2 N 0.00 -5.65 0.24 0.00 2.85 -1.24 -4.62 115.26 106.84 1sku n ASN 2 Ca 0.00 0.82 0.07 0.00 -0.11 0.00 0.00 54.58 55.36 1sku n ASN 2 Cb 0.00 -3.08 0.58 0.00 1.24 0.00 0.00 39.78 38.53 1sku n ASN 2 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1sku h PRO 3 N 2.15 0.00 -0.62 1.20 0.13 -1.94 -2.80 132.00 130.13 1sku h PRO 3 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sku h PRO 3 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sku h PRO 3 CO 0.00 0.13 0.00 -0.11 -0.23 0.00 0.00 178.00 177.79 1sku n LEU 4 N -4.25 5.36 -4.67 1.56 7.94 -1.26 -4.95 117.00 116.73 1sku n LEU 4 Ca -0.03 -2.72 -0.42 0.00 -1.11 0.00 0.00 56.01 51.73 1sku n LEU 4 Cb 0.20 -0.67 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 1sku n LEU 4 CO 0.35 0.60 1.12 -0.47 -1.11 0.00 0.00 177.39 177.88 1sku s TYR 5 N -2.62 2.74 -1.25 1.96 5.04 -1.06 -3.46 117.35 118.71 1sku s TYR 5 Ca 0.50 0.84 -0.05 0.00 -2.44 0.00 0.00 57.07 55.92 1sku s TYR 5 Cb 0.38 -3.61 0.01 0.00 0.35 0.00 0.00 41.96 39.09 1sku s TYR 5 CO 0.15 -2.24 1.07 1.04 -1.34 0.00 0.00 175.55 174.22 1sku n GLN 6 N 6.13 -7.15 -4.31 4.97 1.13 -0.96 -5.02 117.38 112.17 1sku n GLN 6 Ca 0.14 0.81 -0.25 0.00 -1.94 0.00 0.00 57.00 55.76 1sku n GLN 6 Cb 0.44 -5.78 -0.09 0.00 0.11 0.00 0.00 30.24 24.93 1sku n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1sku s LYS 7 N -5.84 2.08 -0.12 -1.09 3.01 -1.22 -4.88 119.74 111.68 1sku s LYS 7 Ca 0.31 -1.36 -0.13 0.00 -1.01 0.00 0.00 55.97 53.77 1sku s LYS 7 Cb -0.14 -2.12 -0.05 0.00 -1.01 0.00 0.00 37.83 34.52 1sku s LYS 7 CO 0.71 0.40 0.31 -1.01 0.51 0.00 0.00 175.35 176.27 1sku s HIS 8 N -1.96 3.54 -0.99 3.18 3.76 -1.26 -4.41 115.29 117.15 1sku s HIS 8 Ca 0.27 0.69 -0.02 0.00 -0.15 0.00 0.00 55.06 55.86 1sku s HIS 8 Cb -0.08 -2.30 0.31 0.00 1.11 0.00 0.00 32.58 31.62 1sku s HIS 8 CO 0.16 0.38 1.49 -0.89 -0.85 0.00 0.00 174.74 175.03 1sku n ILE 9 N 3.03 5.17 0.03 0.60 2.08 -0.90 -4.79 119.36 124.58 1sku n ILE 9 Ca -0.13 -5.87 -0.22 0.00 0.56 0.00 0.00 62.75 57.09 1sku n ILE 9 Cb 0.52 -1.87 -0.14 0.00 -0.75 0.00 0.00 39.64 37.40 1sku n ILE 9 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1sku h ILE 10 N 2.99 0.89 -4.12 1.39 1.08 -1.93 -2.26 117.51 115.55 1sku h ILE 10 Ca 0.30 -2.43 -0.14 0.00 -0.39 0.00 0.00 64.86 62.20 1sku h ILE 10 Cb 0.52 2.68 -0.18 0.00 -3.07 0.00 0.00 36.82 36.77 1sku h ILE 10 CO 1.21 0.81 -0.69 -0.55 -0.69 0.00 0.00 178.15 178.24 1sku s SER 11 N -7.15 0.38 0.30 1.72 0.15 -1.26 -4.74 113.70 103.10 1sku s SER 11 Ca -0.19 -0.78 0.13 0.00 0.70 0.00 0.00 55.95 55.81 1sku s SER 11 Cb 0.05 0.16 0.46 0.00 -1.71 0.00 0.00 66.02 64.98 1sku s SER 11 CO 0.80 -0.47 1.66 0.40 1.20 0.00 0.00 173.24 176.83 1sku h ILE 12 N 3.81 1.29 -0.23 6.45 1.08 -1.94 -3.16 117.51 124.81 1sku h ILE 12 Ca -0.33 -1.91 -0.05 0.00 -0.39 0.00 0.00 64.86 62.17 1sku h ILE 12 Cb 1.17 2.06 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 1sku h ILE 12 CO 0.55 0.53 -0.07 0.78 -0.69 0.00 0.00 178.15 179.25 1sku h ASN 13 N 0.00 0.34 0.22 1.72 4.21 -1.96 -2.70 115.58 117.42 1sku h ASN 13 Ca -0.01 -0.07 -0.10 0.00 1.21 0.00 0.00 56.30 57.34 1sku h ASN 13 Cb 1.02 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.11 1sku h ASN 13 CO 0.07 0.46 -0.39 0.44 -1.29 0.00 0.00 177.43 176.73 1sku h ASP 14 N 0.35 0.24 -2.99 5.81 5.19 -1.98 -3.42 116.42 119.62 1sku h ASP 14 Ca 0.07 -0.09 -0.57 0.00 -0.62 0.00 0.00 57.03 55.82 1sku h ASP 14 Cb 0.35 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 1sku h ASP 14 CO 0.02 0.61 0.91 -0.76 -3.12 0.00 0.00 179.24 176.89 1sku s LEU 15 N -8.29 4.09 0.00 1.55 1.43 -1.02 -5.03 118.68 111.42 1sku s LEU 15 Ca -0.04 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1sku s LEU 15 Cb 0.14 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1sku s LEU 15 CO 0.77 -0.84 0.00 -1.54 0.23 0.00 0.00 176.35 174.97 1sku n SER 16 N 6.85 -0.50 0.19 2.29 3.41 -1.26 -4.83 113.62 119.78 1sku n SER 16 Ca 0.14 -0.70 -0.14 0.00 -0.26 0.00 0.00 58.87 57.91 1sku n SER 16 Cb 0.45 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.32 1sku n SER 16 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sku h ARG 17 N 0.00 -0.47 0.00 4.33 2.43 -1.95 -3.04 114.38 115.68 1sku h ARG 17 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1sku h ARG 17 Cb 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1sku h ARG 17 CO 0.00 -0.18 0.00 0.38 -1.51 0.00 0.00 179.97 178.66 1sku h ASP 18 N -0.75 0.00 -0.38 -3.80 3.04 -1.98 -2.95 116.42 109.60 1sku h ASP 18 Ca -0.05 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.69 1sku h ASP 18 Cb 0.51 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.78 1sku h ASP 18 CO 0.08 0.00 0.04 0.44 -2.04 0.00 0.00 179.24 177.76 1sku h ASP 19 N 0.00 0.62 0.55 4.15 3.32 -1.90 -2.32 116.42 120.83 1sku h ASP 19 Ca 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 57.03 56.60 1sku h ASP 19 Cb 0.59 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1sku h ASP 19 CO 0.00 0.74 -0.75 -0.07 -1.72 0.00 0.00 179.24 177.44 1sku h LEU 20 N 0.47 0.20 -0.04 1.55 3.38 -1.40 -3.03 115.31 116.44 1sku h LEU 20 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sku h LEU 20 Cb 0.40 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1sku h LEU 20 CO 0.01 0.88 -0.10 0.59 0.09 0.00 0.00 178.44 179.91 1sku n ASN 21 N -3.73 0.16 0.02 -0.43 4.13 -1.14 -2.52 115.26 111.75 1sku n ASN 21 Ca -0.03 0.07 -0.22 0.00 1.68 0.00 0.00 54.58 56.09 1sku n ASN 21 Cb 0.72 -0.27 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 1sku n ASN 21 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1sku h LEU 22 N 0.10 0.46 -0.37 3.41 5.85 -1.30 -2.90 115.31 120.56 1sku h LEU 22 Ca 0.00 -0.92 -0.10 0.00 0.84 0.00 0.00 57.88 57.71 1sku h LEU 22 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1sku h LEU 22 CO 0.00 1.79 -0.46 0.58 -0.34 0.00 0.00 178.44 180.02 1sku h VAL 23 N -0.02 0.87 -0.43 1.05 2.07 -1.63 -2.25 116.25 115.91 1sku h VAL 23 Ca -0.38 -1.97 -0.15 0.00 0.82 0.00 0.00 66.70 65.02 1sku h VAL 23 Cb 1.99 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1sku h VAL 23 CO 0.10 0.45 -0.30 -0.07 0.02 0.00 0.00 177.57 177.76 1sku h LEU 24 N 0.00 1.00 -0.52 2.57 -0.00 -1.62 -1.84 115.31 114.90 1sku h LEU 24 Ca -0.00 -0.42 -0.16 0.00 -0.00 0.00 0.00 57.88 57.29 1sku h LEU 24 Cb 1.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1sku h LEU 24 CO 0.06 1.22 -0.64 0.00 -0.00 0.00 0.00 178.44 179.08 1sku h ALA 25 N 0.84 0.71 0.00 1.53 0.00 -1.47 -2.72 119.26 118.15 1sku h ALA 25 Ca 0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1sku h ALA 25 Cb 0.89 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1sku h ALA 25 CO 0.08 0.73 -0.43 1.15 0.00 0.00 0.00 179.25 180.78 1sku h THR 26 N 0.27 0.89 0.00 0.00 2.02 -1.38 -1.88 112.91 112.83 1sku h THR 26 Ca -0.01 -1.80 -0.14 0.00 0.77 0.00 0.00 66.41 65.23 1sku h THR 26 Cb 1.18 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 1sku h THR 26 CO 0.11 0.43 -0.65 0.00 0.37 0.00 0.00 175.52 175.77 1sku h ALA 27 N 1.57 0.65 0.00 6.16 0.00 -1.29 -2.58 119.26 123.77 1sku h ALA 27 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1sku h ALA 27 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1sku h ALA 27 CO 0.06 0.82 -0.38 0.00 0.00 0.00 0.00 179.25 179.74 1sku h ALA 28 N 1.35 0.80 0.13 0.00 0.00 -1.28 -2.99 119.26 117.27 1sku h ALA 28 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 1sku h ALA 28 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1sku h ALA 28 CO 0.09 0.00 -1.90 0.87 0.00 0.00 0.00 179.25 178.30 1sku h LYS 29 N 0.00 0.28 0.00 0.00 6.56 -1.33 -3.02 116.57 119.06 1sku h LYS 29 Ca 0.00 -0.48 -0.15 0.00 -1.06 0.00 0.00 60.65 58.96 1sku h LYS 29 Cb 0.95 0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.77 1sku h LYS 29 CO 0.00 1.20 -0.71 -0.07 -2.06 0.00 0.00 179.45 177.81 1sku h LEU 30 N 0.08 0.00 -0.53 2.94 3.38 -1.60 -2.10 115.31 117.48 1sku h LEU 30 Ca -0.39 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 1sku h LEU 30 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1sku h LEU 30 CO 0.11 0.71 -0.32 0.50 0.09 0.00 0.00 178.44 179.53 1sku h LYS 31 N 0.00 0.84 -0.02 1.13 3.64 -1.67 -2.96 116.57 117.53 1sku h LYS 31 Ca -0.01 -0.40 -0.11 0.00 -1.27 0.00 0.00 60.65 58.87 1sku h LYS 31 Cb 1.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1sku h LYS 31 CO 0.09 1.04 -0.48 0.00 -2.27 0.00 0.00 179.45 177.83 1sku h ALA 32 N 0.92 1.16 -1.85 5.00 0.00 -1.41 -3.42 119.26 119.67 1sku h ALA 32 Ca 0.07 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1sku h ALA 32 Cb 0.88 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.29 1sku h ALA 32 CO 0.08 0.62 -0.53 -0.80 0.00 0.00 0.00 179.25 178.61 1sku s ASN 33 N -6.89 0.55 0.56 0.00 -0.87 -0.80 -5.09 114.94 102.40 1sku s ASN 33 Ca -0.03 -0.23 -0.18 0.00 -1.57 0.00 0.00 52.86 50.84 1sku s ASN 33 Cb 0.13 1.01 -0.08 0.00 -0.02 0.00 0.00 41.25 42.29 1sku s ASN 33 CO 0.75 -0.34 0.61 -2.65 -2.57 0.00 0.00 177.10 172.90 1sku n PRO 34 N 5.35 0.60 -3.50 -0.60 -0.02 -1.13 -4.37 135.00 131.33 1sku n PRO 34 Ca -0.01 0.23 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 1sku n PRO 34 Cb 0.49 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1sku n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1sku n GLN 35 N -0.17 2.42 -0.34 -0.52 3.00 -1.26 -4.98 117.38 115.53 1sku n GLN 35 Ca 0.12 -4.65 0.17 0.00 -0.01 0.00 0.00 57.00 52.63 1sku n GLN 35 Cb 0.47 -2.27 0.37 0.00 0.00 0.00 0.00 30.24 28.81 1sku n GLN 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1sku h PRO 36 N 4.39 0.53 -1.39 -1.09 0.13 -1.87 -3.15 132.00 129.54 1sku h PRO 36 Ca 0.19 -0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.84 1sku h PRO 36 Cb 0.68 -0.12 -0.41 0.00 0.13 0.00 0.00 31.00 31.28 1sku h PRO 36 CO 0.82 0.35 -1.05 0.39 -0.23 0.00 0.00 178.00 178.28 1sku n GLU 37 N -4.92 1.79 -0.06 0.86 1.02 -1.25 -2.38 120.64 115.70 1sku n GLU 37 Ca 0.26 -3.68 -0.09 0.00 -0.02 0.00 0.00 57.16 53.63 1sku n GLU 37 Cb 0.73 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1sku n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1sku h LEU 38 N 2.90 -0.00 -5.00 -4.62 5.85 -1.28 -3.35 115.31 109.81 1sku h LEU 38 Ca 0.04 -0.64 -0.62 0.00 0.84 0.00 0.00 57.88 57.50 1sku h LEU 38 Cb 1.03 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.88 1sku h LEU 38 CO 0.60 0.81 1.03 0.18 -0.34 0.00 0.00 178.44 180.73 1sku n LEU 39 N -4.68 7.07 -4.76 2.25 4.77 -0.74 -4.98 117.00 115.93 1sku n LEU 39 Ca -0.07 -4.47 -0.39 0.00 -0.03 0.00 0.00 56.01 51.05 1sku n LEU 39 Cb 0.31 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.10 1sku n LEU 39 CO 0.22 1.84 0.65 -0.75 -1.33 0.00 0.00 177.39 178.03 1sku s LYS 40 N -2.10 4.74 -1.36 3.23 2.36 -1.24 -3.42 119.74 121.95 1sku s LYS 40 Ca 0.55 1.42 0.00 0.00 -2.55 0.00 0.00 55.97 55.40 1sku s LYS 40 Cb 0.33 -3.08 0.00 0.00 -1.05 0.00 0.00 37.83 34.03 1sku s LYS 40 CO -0.21 0.42 0.00 0.72 1.55 0.00 0.00 175.35 177.83 1sku n HIS 41 N 1.10 -0.63 -4.46 4.03 8.25 -1.26 -5.02 115.22 117.23 1sku n HIS 41 Ca -0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1sku n HIS 41 Cb 0.48 -3.13 -0.16 0.00 1.12 0.00 0.00 29.99 28.30 1sku n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1sku s LYS 42 N -4.56 3.03 -0.06 -0.41 -0.14 -1.22 -5.03 119.74 111.35 1sku s LYS 42 Ca 0.00 -0.83 -0.12 0.00 -1.36 0.00 0.00 55.97 53.66 1sku s LYS 42 Cb 0.00 -2.51 -0.05 0.00 -1.68 0.00 0.00 37.83 33.60 1sku s LYS 42 CO 0.00 -0.08 0.29 0.08 -0.76 0.00 0.00 175.35 174.88 1sku s VAL 43 N 0.99 5.24 -0.08 3.17 1.01 -1.26 -1.27 120.40 128.20 1sku s VAL 43 Ca -0.03 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1sku s VAL 43 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1sku s VAL 43 CO -0.06 0.58 -0.01 -0.63 0.00 0.00 0.00 175.10 174.98 1sku s ILE 44 N -0.97 0.50 -0.08 2.22 1.01 -0.74 -1.92 121.20 121.22 1sku s ILE 44 Ca 0.20 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 60.62 1sku s ILE 44 Cb -0.15 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 1sku s ILE 44 CO 0.09 0.28 0.88 0.00 0.00 0.00 0.00 174.94 176.19 1sku s ALA 45 N 1.92 3.35 -1.04 9.38 0.00 -0.87 -2.64 121.76 131.87 1sku s ALA 45 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 1sku s ALA 45 Cb -0.12 -3.24 0.31 0.00 0.00 0.00 0.00 23.12 20.07 1sku s ALA 45 CO -0.06 -0.40 1.63 0.45 0.00 0.00 0.00 175.76 177.39 1sku n SER 46 N 4.48 6.81 -4.56 0.00 2.88 -1.19 -1.88 113.62 120.16 1sku n SER 46 Ca 0.04 -3.56 -0.37 0.00 -1.33 0.00 0.00 58.87 53.65 1sku n SER 46 Cb 0.50 -1.19 -0.04 0.00 -0.75 0.00 0.00 64.21 62.73 1sku n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sku s PHE 48 N 6.29 3.70 -1.03 0.00 0.40 -1.14 -2.63 117.98 123.56 1sku s PHE 48 Ca 0.52 -1.96 0.08 0.00 -0.60 0.00 0.00 56.93 54.96 1sku s PHE 48 Cb -0.02 -3.92 0.34 0.00 0.51 0.00 0.00 43.02 39.93 1sku s PHE 48 CO -0.07 -1.09 1.24 1.19 0.70 0.00 0.00 175.22 177.20 1sku n PHE 49 N 4.34 0.00 -4.59 0.36 3.01 0.89 -2.34 117.46 119.13 1sku n PHE 49 Ca 0.17 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.39 1sku n PHE 49 Cb 0.46 -0.49 -0.16 0.00 -0.01 0.00 0.00 39.48 39.29 1sku n PHE 49 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1sku s GLU 50 N -2.97 1.62 0.11 -1.08 2.12 -0.22 -4.55 118.70 113.73 1sku s GLU 50 Ca 0.04 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.64 1sku s GLU 50 Cb 0.05 -1.36 -0.09 0.00 0.26 0.00 0.00 34.13 32.99 1sku s GLU 50 CO 0.14 0.06 1.56 0.00 -0.54 0.00 0.00 175.26 176.47 1sku s ALA 51 N 0.55 3.70 -0.36 6.30 0.00 -1.26 -4.90 121.76 125.78 1sku s ALA 51 Ca -0.12 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1sku s ALA 51 Cb -0.15 -3.63 0.19 0.00 0.00 0.00 0.00 23.12 19.53 1sku s ALA 51 CO 0.03 -0.88 0.66 0.45 0.00 0.00 0.00 175.76 176.02 1sku s SER 52 N 1.64 -1.45 0.37 0.00 0.15 -1.26 -5.03 113.70 108.12 1sku s SER 52 Ca 0.70 -0.40 0.27 0.00 0.70 0.00 0.00 55.95 57.22 1sku s SER 52 Cb -0.40 1.87 0.93 0.00 -1.71 0.00 0.00 66.02 66.70 1sku s SER 52 CO 0.31 -0.20 1.79 0.74 1.20 0.00 0.00 173.24 177.08 1sku h THR 53 N 5.20 0.00 0.41 6.45 2.02 -1.98 -2.10 112.91 122.91 1sku h THR 53 Ca 0.02 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1sku h THR 53 Cb 1.19 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1sku h THR 53 CO 0.10 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.82 1sku h ARG 54 N 0.00 -0.52 0.00 6.66 3.08 -1.99 -3.07 114.38 118.54 1sku h ARG 54 Ca 0.00 0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 1sku h ARG 54 Cb 0.62 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1sku h ARG 54 CO 0.00 -0.25 -0.62 1.15 -1.07 0.00 0.00 179.97 179.18 1sku h THR 55 N -1.05 1.31 0.00 2.04 2.02 -1.98 -2.81 112.91 112.44 1sku h THR 55 Ca -0.06 -2.23 -0.16 0.00 0.77 0.00 0.00 66.41 64.73 1sku h THR 55 Cb 0.52 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1sku h THR 55 CO 0.09 0.61 -0.77 -0.09 0.37 0.00 0.00 175.52 175.73 1sku h ARG 56 N 0.00 0.00 0.00 6.66 2.43 -1.53 -1.68 114.38 120.26 1sku h ARG 56 Ca -0.01 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1sku h ARG 56 Cb 1.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1sku h ARG 56 CO 0.08 0.77 -0.73 -0.07 -1.51 0.00 0.00 179.97 178.52 1sku h LEU 57 N 0.00 0.00 0.07 3.80 -0.00 -1.51 -2.62 115.31 115.04 1sku h LEU 57 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.61 1sku h LEU 57 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 1sku h LEU 57 CO 0.10 0.73 -1.18 -1.28 -0.00 0.00 0.00 178.44 176.81 1sku h SER 58 N 0.00 0.42 0.01 -0.43 0.87 -1.43 -2.71 113.55 110.29 1sku h SER 58 Ca -0.01 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1sku h SER 58 Cb 1.47 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1sku h SER 58 CO 0.09 1.31 -0.00 -0.26 -0.53 0.00 0.00 176.83 177.44 1sku h PHE 59 N 0.09 -0.01 0.00 2.24 0.04 -1.39 -3.05 116.94 114.86 1sku h PHE 59 Ca -0.12 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 1sku h PHE 59 Cb 1.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.04 1sku h PHE 59 CO 0.06 0.78 -0.17 0.93 -0.60 0.00 0.00 178.31 179.31 1sku h GLU 60 N -0.86 0.00 -0.25 1.51 5.08 -1.62 -2.02 114.58 116.43 1sku h GLU 60 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1sku h GLU 60 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1sku h GLU 60 CO 0.00 0.17 0.02 1.15 -1.00 0.00 0.00 179.01 179.36 1sku h THR 61 N 0.00 1.24 0.00 1.13 2.02 -1.55 -2.59 112.91 113.16 1sku h THR 61 Ca -0.00 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 1sku h THR 61 Cb 0.36 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1sku h THR 61 CO 0.02 0.26 -0.27 0.28 0.37 0.00 0.00 175.52 176.19 1sku h SER 62 N 0.23 0.00 -0.33 4.18 0.02 -1.32 -1.27 113.55 115.06 1sku h SER 62 Ca 0.07 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1sku h SER 62 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1sku h SER 62 CO 0.01 0.27 -0.01 0.24 -1.14 0.00 0.00 176.83 176.20 1sku h MET 63 N 0.00 0.59 0.00 3.45 2.07 -1.31 -3.18 114.93 116.54 1sku h MET 63 Ca -0.00 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.43 1sku h MET 63 Cb 0.66 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1sku h MET 63 CO 0.04 0.72 0.00 0.45 1.07 0.00 0.00 176.91 179.19 1sku h HIS 64 N 0.39 0.00 -0.00 -0.22 3.86 -1.01 -2.09 115.15 116.08 1sku h HIS 64 Ca 0.09 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.13 1sku h HIS 64 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 1sku h HIS 64 CO 0.04 0.00 -0.79 0.00 0.86 0.00 0.00 177.93 178.03 1sku h ARG 65 N 0.00 0.01 -0.01 2.45 2.47 -1.23 -2.94 114.38 115.12 1sku h ARG 65 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1sku h ARG 65 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1sku h ARG 65 CO 0.00 0.80 -0.05 1.28 0.56 0.00 0.00 179.97 182.55 1sku n LEU 66 N -3.60 1.41 -0.93 3.04 4.77 -1.18 -3.98 117.00 116.53 1sku n LEU 66 Ca -0.01 -0.45 -0.01 0.00 -0.03 0.00 0.00 56.01 55.51 1sku n LEU 66 Cb 0.76 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1sku n LEU 66 CO 0.44 0.24 0.01 0.61 -1.33 0.00 0.00 177.39 177.36 1sku n GLY 67 N 1.21 0.58 3.31 -0.72 0.00 -1.00 -1.69 105.19 106.87 1sku n GLY 67 Ca 0.17 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.01 2.31 0.88 4.61 0.00 -0.79 -3.68 121.76 122.07 1sku s ALA 68 Ca 0.01 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1sku s ALA 68 Cb -0.00 -0.80 0.13 0.00 0.00 0.00 0.00 23.12 22.44 1sku s ALA 68 CO 0.03 0.41 1.14 -1.12 0.00 0.00 0.00 175.76 176.21 1sku s SER 69 N -0.14 3.24 -0.05 0.00 0.01 -0.40 -4.20 113.70 112.15 1sku s SER 69 Ca -0.03 2.13 -0.04 0.00 1.31 0.00 0.00 55.95 59.31 1sku s SER 69 Cb -0.14 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.55 1sku s SER 69 CO 0.04 -2.89 0.13 -0.69 0.41 0.00 0.00 173.24 170.24 1sku s VAL 70 N -2.68 -0.02 -0.24 3.43 1.01 -1.26 -1.80 120.40 118.84 1sku s VAL 70 Ca 0.66 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 1sku s VAL 70 Cb -0.22 -0.21 0.11 0.00 0.00 0.00 0.00 36.38 36.07 1sku s VAL 70 CO 0.57 0.03 0.27 0.68 0.00 0.00 0.00 175.10 176.65 1sku s VAL 71 N 0.45 -0.40 0.00 2.92 -7.23 -1.08 -4.94 120.40 110.12 1sku s VAL 71 Ca -0.03 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1sku s VAL 71 Cb -0.05 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1sku s VAL 71 CO -0.02 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1sku n GLY 72 N 5.32 4.37 2.63 2.32 0.00 -1.26 -3.17 105.19 115.40 1sku n GLY 72 Ca -0.04 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 1sku n GLY 72 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sku n PHE 73 N 0.00 -1.82 -3.52 1.61 1.16 -1.11 -4.92 117.46 108.85 1sku n PHE 73 Ca 0.00 -1.40 -0.24 0.00 -1.87 0.00 0.00 57.45 53.94 1sku n PHE 73 Cb 0.00 0.61 -0.14 0.00 -1.61 0.00 0.00 39.48 38.34 1sku n PHE 73 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1sku s SER 74 N -2.49 2.56 0.38 5.98 1.04 -1.26 -2.91 113.70 117.00 1sku s SER 74 Ca 0.13 -0.86 0.22 0.00 0.48 0.00 0.00 55.95 55.92 1sku s SER 74 Cb -0.03 -0.04 1.33 0.00 0.10 0.00 0.00 66.02 67.38 1sku s SER 74 CO 0.10 -0.39 1.59 -0.78 0.98 0.00 0.00 173.24 174.74 1sku h ASP 75 N 8.37 0.33 -6.76 7.02 1.82 -1.70 -3.45 116.42 122.05 1sku h ASP 75 Ca -0.17 0.24 -0.55 0.00 -0.39 0.00 0.00 57.03 56.15 1sku h ASP 75 Cb 1.08 0.24 -0.19 0.00 0.68 0.00 0.00 39.33 41.13 1sku h ASP 75 CO 0.36 -0.37 -0.86 -0.24 -1.61 0.00 0.00 179.24 176.52 1sku n SER 76 N -5.16 -2.14 0.00 2.28 2.88 -1.26 -2.12 113.62 108.10 1sku n SER 76 Ca 0.37 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 1sku n SER 76 Cb 1.28 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.12 1sku n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sku n ALA 77 N -4.38 0.00 0.13 -1.46 0.00 -1.26 -4.77 120.51 108.77 1sku n ALA 77 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1sku n ALA 77 Cb 0.55 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1sku n ALA 77 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1sku n ASN 78 N -0.18 -0.08 -1.08 0.00 6.94 -0.90 -5.10 115.26 114.86 1sku n ASN 78 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 54.58 55.01 1sku n ASN 78 Cb 0.09 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1sku n ASN 78 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1sku n THR 79 N -3.44 -0.47 0.08 5.53 5.66 -1.15 -4.59 114.28 115.90 1sku n THR 79 Ca 0.00 0.22 -0.09 0.00 -3.05 0.00 0.00 64.05 61.14 1sku n THR 79 Cb 0.00 -0.35 0.01 0.00 -1.55 0.00 0.00 70.33 68.45 1sku n THR 79 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1sku h SER 80 N 0.36 0.29 -1.35 1.09 0.02 -1.98 -3.36 113.55 108.62 1sku h SER 80 Ca 0.00 -0.22 -0.74 0.00 -0.84 0.00 0.00 61.79 59.99 1sku h SER 80 Cb 0.08 -0.09 -0.15 0.00 0.14 0.00 0.00 62.40 62.38 1sku h SER 80 CO 0.00 1.00 2.06 0.18 -1.14 0.00 0.00 176.83 178.93 1sku n LEU 81 N -3.71 7.85 0.00 5.07 7.99 -1.26 -4.92 117.00 128.03 1sku n LEU 81 Ca -0.04 -4.94 0.00 0.00 -0.01 0.00 0.00 56.01 51.03 1sku n LEU 81 Cb 0.78 -1.32 0.00 0.00 -0.11 0.00 0.00 43.42 42.77 1sku n LEU 81 CO 0.48 2.04 0.00 0.61 -1.51 0.00 0.00 177.39 179.01 1sku n GLY 82 N 1.34 2.88 2.59 -0.72 0.00 -1.26 -4.81 105.19 105.21 1sku n GLY 82 Ca 0.59 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1sku n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sku n LYS 83 N 0.00 -2.72 -2.30 1.61 3.00 -1.26 -4.34 118.16 112.15 1sku n LYS 83 Ca 0.00 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.25 1sku n LYS 83 Cb 0.00 -5.62 0.00 0.00 0.00 0.00 0.00 35.03 29.41 1sku n LYS 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1sku n LYS 84 N -3.27 -5.13 0.00 1.64 4.76 -1.26 -4.97 118.16 109.93 1sku n LYS 84 Ca -0.19 3.69 0.00 0.00 -2.87 0.00 0.00 58.31 58.94 1sku n LYS 84 Cb 0.66 -4.51 0.00 0.00 -1.84 0.00 0.00 35.03 29.34 1sku n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sku n GLY 85 N 1.89 0.41 3.36 0.72 0.00 -1.26 -5.11 105.19 105.19 1sku n GLY 85 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1sku n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sku s GLU 86 N 0.00 0.39 0.63 1.61 2.56 -1.26 -4.99 118.70 117.64 1sku s GLU 86 Ca 0.00 1.13 -0.13 0.00 0.00 0.00 0.00 54.97 55.97 1sku s GLU 86 Cb 0.00 0.46 -0.02 0.00 2.00 0.00 0.00 34.13 36.57 1sku s GLU 86 CO 0.00 -0.25 1.05 0.95 -0.56 0.00 0.00 175.26 176.45 1sku s THR 87 N 2.69 4.09 0.45 -1.70 -4.23 -1.26 -4.52 115.64 111.15 1sku s THR 87 Ca -0.02 0.81 0.18 0.00 -1.18 0.00 0.00 61.69 61.47 1sku s THR 87 Cb -0.12 -3.48 0.21 0.00 1.34 0.00 0.00 72.50 70.45 1sku s THR 87 CO -0.14 -0.76 2.02 0.25 -0.54 0.00 0.00 174.62 175.45 1sku h LEU 88 N -0.13 0.00 -0.81 4.79 5.85 -2.00 -2.89 115.31 120.12 1sku h LEU 88 Ca -0.45 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 1sku h LEU 88 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1sku h LEU 88 CO 0.58 0.16 -0.36 0.00 -0.34 0.00 0.00 178.44 178.48 1sku h ALA 89 N 1.84 0.98 -0.29 1.25 0.00 -1.92 -2.54 119.26 118.57 1sku h ALA 89 Ca -0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1sku h ALA 89 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sku h ALA 89 CO 0.02 0.61 -0.50 -0.44 0.00 0.00 0.00 179.25 178.94 1sku h ASP 90 N 0.39 0.89 -0.71 0.00 3.45 -1.90 -2.55 116.42 115.99 1sku h ASP 90 Ca 0.04 -0.45 -0.04 0.00 0.43 0.00 0.00 57.03 57.01 1sku h ASP 90 Cb 0.82 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 1sku h ASP 90 CO 0.07 1.23 0.29 0.74 -1.57 0.00 0.00 179.24 180.00 1sku h THR 91 N 0.63 1.24 0.00 0.35 2.02 -1.36 -2.77 112.91 113.03 1sku h THR 91 Ca 0.03 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 1sku h THR 91 Cb 1.09 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1sku h THR 91 CO 0.11 0.31 -0.49 0.40 0.37 0.00 0.00 175.52 176.22 1sku h ILE 92 N 1.05 0.84 0.00 3.11 2.04 -1.48 -2.22 117.51 120.84 1sku h ILE 92 Ca 0.24 -2.18 -0.05 0.00 1.00 0.00 0.00 64.86 63.87 1sku h ILE 92 Cb 0.19 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1sku h ILE 92 CO -0.02 0.48 -0.25 0.28 0.00 0.00 0.00 178.15 178.63 1sku h SER 93 N 0.00 0.00 0.07 1.72 0.02 -1.18 -2.14 113.55 112.04 1sku h SER 93 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1sku h SER 93 Cb 1.37 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 1sku h SER 93 CO 0.06 0.25 -1.79 0.52 -1.14 0.00 0.00 176.83 174.73 1sku n VAL 94 N -3.65 1.67 0.22 2.27 0.31 -1.11 -4.17 118.33 113.87 1sku n VAL 94 Ca -0.01 -0.42 0.07 0.00 -0.01 0.00 0.00 64.34 63.97 1sku n VAL 94 Cb 0.38 -1.83 0.52 0.00 -0.91 0.00 0.00 33.84 31.99 1sku n VAL 94 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1sku h ILE 95 N -0.36 0.91 -0.59 2.52 1.08 -1.43 -2.84 117.51 116.81 1sku h ILE 95 Ca -0.42 -0.92 -0.07 0.00 -0.39 0.00 0.00 64.86 63.06 1sku h ILE 95 Cb 1.75 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 1sku h ILE 95 CO -0.05 0.24 0.10 0.28 -0.69 0.00 0.00 178.15 178.03 1sku h SER 96 N 0.00 0.92 0.98 1.72 0.02 -1.56 -2.52 113.55 113.11 1sku h SER 96 Ca -0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1sku h SER 96 Cb 0.52 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1sku h SER 96 CO 0.03 0.94 0.00 0.71 -1.14 0.00 0.00 176.83 177.38 1sku h THR 97 N 0.87 0.00 0.08 -2.27 1.35 -1.67 -3.25 112.91 108.02 1sku h THR 97 Ca 0.18 -0.41 -0.21 0.00 -0.55 0.00 0.00 66.41 65.42 1sku h THR 97 Cb 0.41 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1sku h THR 97 CO 0.01 0.00 -1.06 1.88 -0.25 0.00 0.00 175.52 176.10 1sku h TYR 98 N 0.00 0.31 -2.07 4.73 0.99 -1.44 -3.49 116.97 116.00 1sku h TYR 98 Ca 0.00 -0.23 -0.58 0.00 2.00 0.00 0.00 58.73 59.93 1sku h TYR 98 Cb 0.49 -0.01 -0.13 0.00 1.00 0.00 0.00 36.73 38.07 1sku h TYR 98 CO 0.00 1.41 -0.62 0.14 -0.00 0.00 0.00 178.16 179.09 1sku s VAL 99 N -2.41 1.81 -0.25 -2.88 -7.23 -0.98 -4.98 120.40 103.48 1sku s VAL 99 Ca -0.20 -2.04 0.22 0.00 -1.81 0.00 0.00 61.98 58.14 1sku s VAL 99 Cb 0.03 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 34.15 1sku s VAL 99 CO 0.73 -0.05 1.12 0.44 -0.31 0.00 0.00 175.10 177.03 1sku h ASP 100 N 1.93 0.00 -5.06 4.85 3.32 -1.66 -3.44 116.42 116.36 1sku h ASP 100 Ca -0.43 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 1sku h ASP 100 Cb 1.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.64 1sku h ASP 100 CO 0.76 0.09 -0.12 0.00 -1.72 0.00 0.00 179.24 178.25 1sku s ALA 101 N -3.27 -0.91 -0.19 3.45 0.00 -1.24 -4.04 121.76 115.56 1sku s ALA 101 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 1sku s ALA 101 Cb 0.09 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.75 1sku s ALA 101 CO 0.77 -0.53 0.00 0.42 0.00 0.00 0.00 175.76 176.43 1sku s ILE 102 N -3.07 0.83 -0.36 0.00 1.01 -1.05 -2.05 121.20 116.50 1sku s ILE 102 Ca -0.02 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 1sku s ILE 102 Cb 0.01 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 1sku s ILE 102 CO -0.07 -0.11 0.40 -0.69 0.00 0.00 0.00 174.94 174.48 1sku s VAL 103 N 1.73 5.12 -0.02 2.92 1.01 -0.79 -1.68 120.40 128.69 1sku s VAL 103 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1sku s VAL 103 Cb -0.17 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1sku s VAL 103 CO -0.07 -0.20 -0.16 0.00 0.00 0.00 0.00 175.10 174.67 1sku s MET 104 N 2.10 1.42 -0.23 2.72 0.00 -1.08 -1.75 119.30 122.47 1sku s MET 104 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 55.69 55.26 1sku s MET 104 Cb -0.17 -1.32 0.03 0.00 0.00 0.00 0.00 34.83 33.38 1sku s MET 104 CO 0.12 0.29 -0.11 0.50 0.00 0.00 0.00 175.02 175.83 1sku s ARG 105 N -0.19 2.74 0.02 3.16 6.06 -1.08 -2.17 118.95 127.49 1sku s ARG 105 Ca 0.02 -1.03 0.07 0.00 -2.50 0.00 0.00 55.73 52.29 1sku s ARG 105 Cb -0.08 -2.86 -0.03 0.00 0.06 0.00 0.00 34.95 32.04 1sku s ARG 105 CO 0.00 -0.39 -0.19 -1.58 -2.50 0.00 0.00 175.30 170.64 1sku s HIS 106 N 1.26 2.53 0.13 5.12 2.46 -0.99 -0.08 115.29 125.72 1sku s HIS 106 Ca -0.01 -0.28 0.26 0.00 0.47 0.00 0.00 55.06 55.50 1sku s HIS 106 Cb -0.17 -1.48 1.02 0.00 -0.13 0.00 0.00 32.58 31.83 1sku s HIS 106 CO -0.07 0.20 1.87 -1.00 -2.47 0.00 0.00 174.74 173.27 1sku h PRO 107 N 4.78 0.00 -6.36 2.88 0.13 -1.82 -1.39 132.00 130.21 1sku h PRO 107 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 1sku h PRO 107 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1sku h PRO 107 CO 0.47 0.17 -0.14 -0.65 -0.23 0.00 0.00 178.00 177.62 1sku s GLN 108 N -3.67 3.81 0.31 0.86 -0.21 -1.26 -3.92 119.66 115.57 1sku s GLN 108 Ca 0.01 0.26 -0.27 0.00 0.02 0.00 0.00 55.36 55.37 1sku s GLN 108 Cb 0.10 -2.74 -0.10 0.00 1.00 0.00 0.00 33.01 31.27 1sku s GLN 108 CO 0.62 0.38 0.95 -1.21 -2.12 0.00 0.00 175.29 173.91 1sku s GLU 109 N -2.58 4.63 -0.17 2.91 8.01 -1.25 -3.71 118.70 126.53 1sku s GLU 109 Ca 0.44 1.39 0.00 0.00 0.01 0.00 0.00 54.97 56.81 1sku s GLU 109 Cb -0.12 -2.91 0.00 0.00 -4.31 0.00 0.00 34.13 26.79 1sku s GLU 109 CO 0.21 0.31 0.00 0.41 0.01 0.00 0.00 175.26 176.20 1sku n GLY 110 N 0.79 0.53 0.18 -1.39 0.00 -1.26 -4.94 105.19 99.09 1sku n GLY 110 Ca 0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 0.49 -0.18 4.61 0.00 -1.87 -2.67 119.26 119.64 1sku h ALA 111 Ca -0.03 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.08 1sku h ALA 111 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sku h ALA 111 CO 0.05 0.76 -0.60 0.00 0.00 0.00 0.00 179.25 179.46 1sku h ALA 112 N 0.83 0.61 -0.35 0.00 0.00 -1.91 -2.51 119.26 115.92 1sku h ALA 112 Ca -0.05 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1sku h ALA 112 Cb 1.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1sku h ALA 112 CO 0.14 0.70 -0.23 -0.09 0.00 0.00 0.00 179.25 179.77 1sku h ARG 113 N 0.45 0.68 -0.18 0.00 2.43 -1.94 -2.79 114.38 113.04 1sku h ARG 113 Ca -0.00 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1sku h ARG 113 Cb 1.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1sku h ARG 113 CO 0.11 0.85 -0.19 1.25 -1.51 0.00 0.00 179.97 180.49 1sku h LEU 114 N 0.60 0.30 -0.91 3.80 6.46 -1.41 -2.92 115.31 121.23 1sku h LEU 114 Ca 0.09 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 1sku h LEU 114 Cb 0.71 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1sku h LEU 114 CO 0.05 0.50 -0.46 0.00 -0.62 0.00 0.00 178.44 177.92 1sku h ALA 115 N 1.53 1.08 0.00 1.25 0.00 -1.19 -3.00 119.26 118.93 1sku h ALA 115 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1sku h ALA 115 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1sku h ALA 115 CO 0.03 0.62 -0.34 1.79 0.00 0.00 0.00 179.25 181.36 1sku h THR 116 N 0.15 1.23 0.00 0.00 1.35 -1.33 -1.07 112.91 113.25 1sku h THR 116 Ca 0.01 -1.15 -0.10 0.00 -0.55 0.00 0.00 66.41 64.62 1sku h THR 116 Cb 0.88 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 1sku h THR 116 CO 0.07 0.33 -0.47 -0.33 -0.25 0.00 0.00 175.52 174.87 1sku h GLU 117 N 0.00 0.00 -0.14 4.72 5.08 -1.56 -3.15 114.58 119.54 1sku h GLU 117 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sku h GLU 117 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1sku h GLU 117 CO 0.04 0.47 0.00 1.19 -1.00 0.00 0.00 179.01 179.71 1sku n PHE 118 N -3.83 0.17 0.12 4.33 3.72 -1.10 -4.58 117.46 116.27 1sku n PHE 118 Ca -0.01 -0.16 -0.22 0.00 -0.05 0.00 0.00 57.45 57.01 1sku n PHE 118 Cb 0.51 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.89 1sku n PHE 118 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sku h SER 119 N 2.46 0.67 0.00 4.37 4.64 -1.15 -3.38 113.55 121.17 1sku h SER 119 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1sku h SER 119 Cb 0.61 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1sku h SER 119 CO 0.00 1.62 0.00 0.61 -0.87 0.00 0.00 176.83 178.19 1sku n GLY 120 N 1.70 1.85 1.29 -0.77 0.00 -1.25 -3.36 105.19 104.64 1sku n GLY 120 Ca -0.16 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.40 1sku n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sku n ASN 121 N 7.77 3.77 -4.52 1.61 5.03 -1.26 -4.84 115.26 122.82 1sku n ASN 121 Ca 0.00 -2.38 -0.40 0.00 0.87 0.00 0.00 54.58 52.67 1sku n ASN 121 Cb 0.00 -0.52 -0.11 0.00 -1.02 0.00 0.00 39.78 38.14 1sku n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1sku s VAL 122 N -1.84 5.26 0.81 2.41 1.01 -1.21 -5.06 120.40 121.79 1sku s VAL 122 Ca 0.38 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 1sku s VAL 122 Cb 0.25 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1sku s VAL 122 CO 0.17 -0.03 0.77 -2.65 0.00 0.00 0.00 175.10 173.36 1sku n PRO 123 N 5.11 0.11 -3.64 2.72 -0.02 -1.26 -4.80 135.00 133.22 1sku n PRO 123 Ca -0.13 0.10 -0.26 0.00 -2.02 0.00 0.00 63.50 61.19 1sku n PRO 123 Cb 0.49 -2.08 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 1sku n PRO 123 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sku s VAL 124 N -2.11 0.06 -0.20 -1.45 1.01 -1.26 -2.52 120.40 113.93 1sku s VAL 124 Ca 0.66 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.27 1sku s VAL 124 Cb -0.29 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1sku s VAL 124 CO 0.57 -0.28 0.13 -0.76 0.00 0.00 0.00 175.10 174.76 1sku s LEU 125 N 2.07 4.21 -0.33 3.92 1.02 -0.68 -2.12 118.68 126.78 1sku s LEU 125 Ca 0.02 0.24 -0.19 0.00 0.02 0.00 0.00 54.13 54.21 1sku s LEU 125 Cb -0.16 -2.09 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 1sku s LEU 125 CO -0.10 0.19 0.58 0.21 0.02 0.00 0.00 176.35 177.25 1sku s ASN 126 N 0.28 6.41 0.00 2.29 3.04 -0.85 -2.63 114.94 123.48 1sku s ASN 126 Ca 0.08 0.22 0.26 0.00 0.04 0.00 0.00 52.86 53.47 1sku s ASN 126 Cb -0.11 -2.30 0.70 0.00 -1.54 0.00 0.00 41.25 38.00 1sku s ASN 126 CO -0.02 -0.48 1.53 0.00 -3.04 0.00 0.00 177.10 175.10 1sku n ALA 127 N 5.83 2.96 0.00 1.71 0.00 -0.92 -4.22 120.51 125.87 1sku n ALA 127 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1sku n ALA 127 Cb 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.31 1.93 3.09 0.00 0.00 -1.26 -4.88 105.19 105.38 1sku n GLY 128 Ca 0.14 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1sku n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sku n ASP 129 N 0.00 5.75 0.00 1.61 3.85 -1.17 -2.36 116.55 124.23 1sku n ASP 129 Ca 0.00 -3.26 0.00 0.00 -0.71 0.00 0.00 54.79 50.82 1sku n ASP 129 Cb 0.00 -1.25 0.00 0.00 -1.35 0.00 0.00 41.12 38.52 1sku n ASP 129 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sku n GLY 130 N 1.84 0.67 1.44 6.12 0.00 -0.52 -2.98 105.19 111.75 1sku n GLY 130 Ca 0.25 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 5.49 4.26 0.00 1.61 3.41 -1.26 -4.67 113.62 122.46 1sku n SER 131 Ca 0.00 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1sku n SER 131 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 1.13 0.00 -4.15 4.04 5.15 -1.16 -4.77 115.26 115.51 1sku n ASN 132 Ca 0.24 0.27 -0.10 0.00 -0.60 0.00 0.00 54.58 54.38 1sku n ASN 132 Cb 0.78 -0.32 -0.10 0.00 -0.53 0.00 0.00 39.78 39.60 1sku n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1sku s GLN 133 N -0.65 0.83 -0.48 1.20 -1.52 -1.26 -4.96 119.66 112.83 1sku s GLN 133 Ca 0.00 -1.35 0.06 0.00 -1.95 0.00 0.00 55.36 52.11 1sku s GLN 133 Cb 0.00 0.00 0.27 0.00 -0.22 0.00 0.00 33.01 33.06 1sku s GLN 133 CO 0.00 -0.11 0.97 1.58 -0.25 0.00 0.00 175.29 177.48 1sku n HIS 134 N -0.04 -3.15 0.24 0.91 -0.00 -1.26 -3.03 115.22 108.89 1sku n HIS 134 Ca -0.10 -1.86 0.12 0.00 0.46 0.00 0.00 57.72 56.34 1sku n HIS 134 Cb 0.62 1.59 0.59 0.00 -0.12 0.00 0.00 29.99 32.66 1sku n HIS 134 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sku h PRO 135 N 3.65 0.00 -0.27 1.57 0.13 -1.85 -2.63 132.00 132.59 1sku h PRO 135 Ca -0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.86 1sku h PRO 135 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1sku h PRO 135 CO 0.26 0.16 -0.40 1.79 -0.23 0.00 0.00 178.00 179.58 1sku h THR 136 N 0.00 1.29 -0.16 1.56 1.35 -1.92 -1.12 112.91 113.91 1sku h THR 136 Ca -0.00 -1.56 -0.10 0.00 -0.55 0.00 0.00 66.41 64.19 1sku h THR 136 Cb 0.58 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1sku h THR 136 CO 0.02 0.50 -0.36 -0.61 -0.25 0.00 0.00 175.52 174.82 1sku h GLN 137 N 0.53 0.34 0.00 4.72 5.75 -1.84 -3.08 115.11 121.53 1sku h GLN 137 Ca 0.05 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1sku h GLN 137 Cb 0.92 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 1sku h GLN 137 CO 0.08 0.66 -0.17 1.15 -2.65 0.00 0.00 178.83 177.89 1sku h THR 138 N 0.29 0.32 0.02 2.39 2.02 -1.20 -2.68 112.91 114.07 1sku h THR 138 Ca 0.03 -1.31 -0.24 0.00 0.77 0.00 0.00 66.41 65.66 1sku h THR 138 Cb 0.77 2.04 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 1sku h THR 138 CO 0.06 0.17 -1.00 -0.07 0.37 0.00 0.00 175.52 175.05 1sku h LEU 139 N 0.00 0.57 0.00 2.58 3.38 -1.13 -2.88 115.31 117.83 1sku h LEU 139 Ca -0.00 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 1sku h LEU 139 Cb 1.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1sku h LEU 139 CO 0.02 1.28 -0.10 0.17 0.09 0.00 0.00 178.44 179.91 1sku h LEU 140 N 0.23 0.00 -0.01 1.67 8.10 -1.57 -2.82 115.31 120.90 1sku h LEU 140 Ca -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.89 1sku h LEU 140 Cb 1.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.87 1sku h LEU 140 CO 0.18 0.04 -0.02 0.44 -4.11 0.00 0.00 178.44 174.96 1sku h ASP 141 N 0.00 0.04 0.32 0.17 3.32 -1.45 -2.56 116.42 116.26 1sku h ASP 141 Ca -0.00 -0.56 -0.14 0.00 0.02 0.00 0.00 57.03 56.35 1sku h ASP 141 Cb 1.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1sku h ASP 141 CO 0.01 0.59 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.49 1sku h LEU 142 N -0.51 0.28 -1.11 1.55 3.38 -1.61 -2.53 115.31 114.76 1sku h LEU 142 Ca 0.00 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1sku h LEU 142 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sku h LEU 142 CO 0.01 0.78 -0.44 0.15 0.09 0.00 0.00 178.44 179.02 1sku h PHE 143 N 0.19 0.00 0.01 1.13 3.57 -1.57 -0.53 116.94 119.74 1sku h PHE 143 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1sku h PHE 143 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1sku h PHE 143 CO 0.02 0.44 -0.88 1.15 -2.23 0.00 0.00 178.31 176.81 1sku h THR 144 N 0.00 1.59 0.00 4.41 2.02 -1.27 -3.01 112.91 116.64 1sku h THR 144 Ca -0.00 -2.89 -0.18 0.00 0.77 0.00 0.00 66.41 64.11 1sku h THR 144 Cb 0.79 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 1sku h THR 144 CO 0.06 0.83 -0.84 0.40 0.37 0.00 0.00 175.52 176.34 1sku h ILE 145 N 0.03 1.59 0.00 3.11 2.04 -1.16 -3.05 117.51 120.06 1sku h ILE 145 Ca -0.02 -2.90 -0.04 0.00 1.00 0.00 0.00 64.86 62.89 1sku h ILE 145 Cb 1.54 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 40.19 1sku h ILE 145 CO 0.12 0.83 -0.20 -0.61 0.00 0.00 0.00 178.15 178.28 1sku h GLN 146 N 0.00 0.00 0.00 2.37 -0.00 -1.11 -2.63 115.11 113.75 1sku h GLN 146 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1sku h GLN 146 Cb 1.51 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.98 1sku h GLN 146 CO 0.11 0.20 -0.21 1.49 0.00 0.00 0.00 178.83 180.42 1sku h GLU 147 N 0.00 0.00 0.45 1.69 4.22 -1.59 -3.00 114.58 116.35 1sku h GLU 147 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1sku h GLU 147 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1sku h GLU 147 CO 0.03 0.73 -0.21 1.79 -2.18 0.00 0.00 179.01 179.16 1sku h THR 148 N -1.00 0.25 -0.02 0.32 1.35 -1.61 -3.29 112.91 108.91 1sku h THR 148 Ca -0.05 -0.58 -0.17 0.00 -0.55 0.00 0.00 66.41 65.06 1sku h THR 148 Cb 0.80 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1sku h THR 148 CO -0.03 0.05 -0.74 1.56 -0.25 0.00 0.00 175.52 176.11 1sku h GLN 149 N -1.06 0.16 0.00 4.72 1.08 -1.72 -3.48 115.11 114.82 1sku h GLN 149 Ca -0.06 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1sku h GLN 149 Cb 0.55 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1sku h GLN 149 CO 0.10 0.83 0.00 0.41 -0.95 0.00 0.00 178.83 179.22 1sku n GLY 150 N 0.57 0.35 3.64 3.46 0.00 -1.13 -5.04 105.19 107.03 1sku n GLY 150 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1sku n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sku s ARG 151 N -0.94 2.00 -0.09 1.61 1.70 -1.24 -4.90 118.95 117.09 1sku s ARG 151 Ca 0.00 -1.55 0.14 0.00 -0.47 0.00 0.00 55.73 53.85 1sku s ARG 151 Cb 0.00 0.52 0.21 0.00 -0.57 0.00 0.00 34.95 35.11 1sku s ARG 151 CO 0.00 -0.88 1.11 1.28 -1.08 0.00 0.00 175.30 175.73 1sku n LEU 152 N -0.53 1.70 -4.09 -1.89 4.77 -1.26 -4.01 117.00 111.69 1sku n LEU 152 Ca -0.03 -2.50 -0.11 0.00 -0.03 0.00 0.00 56.01 53.34 1sku n LEU 152 Cb 0.61 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1sku n LEU 152 CO 0.27 0.58 -0.38 1.51 -1.33 0.00 0.00 177.39 178.04 1sku s ASP 153 N -2.34 0.81 -1.71 -1.43 -4.77 -1.26 -4.65 116.67 101.32 1sku s ASP 153 Ca 0.23 -0.75 -0.02 0.00 -3.30 0.00 0.00 52.55 48.71 1sku s ASP 153 Cb 0.20 0.09 0.00 0.00 -1.09 0.00 0.00 42.92 42.12 1sku s ASP 153 CO 0.02 -0.36 0.23 0.59 0.70 0.00 0.00 175.17 176.35 1sku n ASN 154 N 0.81 -6.04 -4.72 2.11 4.13 -1.05 -4.93 115.26 105.58 1sku n ASN 154 Ca -0.18 -0.12 -0.35 0.00 1.68 0.00 0.00 54.58 55.61 1sku n ASN 154 Cb 0.58 -4.97 -0.09 0.00 -1.54 0.00 0.00 39.78 33.76 1sku n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1sku s LEU 155 N -6.29 3.73 -1.17 3.41 1.43 -1.26 -4.94 118.68 113.59 1sku s LEU 155 Ca 0.11 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1sku s LEU 155 Cb -0.05 -1.94 0.23 0.00 0.03 0.00 0.00 46.19 44.47 1sku s LEU 155 CO 0.14 0.36 1.44 1.41 0.23 0.00 0.00 176.35 179.93 1sku n HIS 156 N 1.91 4.08 -3.36 0.29 8.25 -1.26 -1.72 115.22 123.40 1sku n HIS 156 Ca -0.18 -3.24 -0.32 0.00 -0.26 0.00 0.00 57.72 53.72 1sku n HIS 156 Cb 0.54 -1.80 -0.05 0.00 1.12 0.00 0.00 29.99 29.79 1sku n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1sku s VAL 157 N -0.46 4.89 0.02 1.59 -7.23 -0.83 -1.13 120.40 117.25 1sku s VAL 157 Ca 0.36 0.55 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 1sku s VAL 157 Cb -0.01 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1sku s VAL 157 CO 0.00 -0.10 -0.03 0.00 -0.31 0.00 0.00 175.10 174.66 1sku s ALA 158 N -1.86 0.15 -0.15 1.32 0.00 -1.03 -2.57 121.76 117.61 1sku s ALA 158 Ca 0.49 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1sku s ALA 158 Cb -0.11 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1sku s ALA 158 CO 0.21 -0.10 -0.13 -1.64 0.00 0.00 0.00 175.76 174.09 1sku s MET 159 N -1.13 2.24 0.21 0.00 1.00 -1.09 -1.20 119.30 119.33 1sku s MET 159 Ca -0.12 -0.58 0.06 0.00 0.00 0.00 0.00 55.69 55.05 1sku s MET 159 Cb -0.08 -2.12 -0.04 0.00 0.00 0.00 0.00 34.83 32.59 1sku s MET 159 CO -0.01 -0.26 0.21 0.08 0.00 0.00 0.00 175.02 175.05 1sku s VAL 160 N 1.49 4.68 0.00 -6.03 1.01 -1.11 -2.03 120.40 118.41 1sku s VAL 160 Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1sku s VAL 160 Cb -0.13 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1sku s VAL 160 CO -0.10 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1sku n GLY 161 N -0.88 0.69 3.52 4.51 0.00 -1.12 -2.19 105.19 109.72 1sku n GLY 161 Ca -0.08 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 6.25 0.00 1.61 2.15 -1.26 -4.52 116.67 116.90 1sku s ASP 162 Ca 0.00 -0.86 0.22 0.00 0.43 0.00 0.00 52.55 52.34 1sku s ASP 162 Cb 0.00 -2.51 -0.21 0.00 -0.30 0.00 0.00 42.92 39.90 1sku s ASP 162 CO 0.00 -1.63 0.76 0.18 -0.17 0.00 0.00 175.17 174.32 1sku n LEU 163 N 8.66 0.52 -0.04 -1.34 4.77 -1.16 -3.26 117.00 125.14 1sku n LEU 163 Ca 0.07 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 1sku n LEU 163 Cb 0.48 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1sku n LEU 163 CO 0.67 0.10 0.50 0.50 -1.33 0.00 0.00 177.39 177.83 1sku h LYS 164 N 0.00 0.32 0.00 3.23 3.64 -1.64 -3.36 116.57 118.76 1sku h LYS 164 Ca 0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1sku h LYS 164 Cb 0.76 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1sku h LYS 164 CO 0.00 0.83 -0.69 0.66 -2.27 0.00 0.00 179.45 177.98 1sku n TYR 165 N -4.50 0.00 -1.77 1.91 4.01 -1.26 -4.79 117.16 110.77 1sku n TYR 165 Ca -0.08 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.27 1sku n TYR 165 Cb 0.44 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.33 0.20 0.43 2.72 0.00 -1.20 -4.83 107.32 102.31 1sku s GLY 166 Ca 0.04 0.12 0.24 0.00 0.00 0.00 0.00 44.72 45.12 1sku s GLY 166 CO 0.54 3.72 1.78 0.07 0.00 0.00 0.00 173.10 179.21 1sku h ARG 167 N 16.04 0.00 -0.20 2.90 0.11 -1.90 -2.85 114.38 128.48 1sku h ARG 167 Ca -0.31 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.57 1sku h ARG 167 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1sku h ARG 167 CO 1.09 0.22 -0.66 1.79 0.10 0.00 0.00 179.97 182.51 1sku h THR 168 N 0.00 1.29 0.00 0.08 1.35 -1.93 -3.01 112.91 110.68 1sku h THR 168 Ca -0.00 -1.88 -0.03 0.00 -0.55 0.00 0.00 66.41 63.94 1sku h THR 168 Cb 0.81 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1sku h THR 168 CO 0.03 0.60 -0.14 -0.37 -0.25 0.00 0.00 175.52 175.38 1sku h VAL 169 N 0.54 0.24 0.10 6.82 -1.51 -1.91 -2.78 116.25 117.74 1sku h VAL 169 Ca -0.02 -1.33 -0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1sku h VAL 169 Cb 1.27 2.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.54 1sku h VAL 169 CO 0.14 0.13 -0.05 0.45 -1.23 0.00 0.00 177.57 177.01 1sku h HIS 170 N 0.00 -0.12 0.00 5.19 3.86 -1.49 -2.63 115.15 119.96 1sku h HIS 170 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1sku h HIS 170 Cb 1.11 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 1sku h HIS 170 CO 0.00 0.33 -0.16 0.66 0.86 0.00 0.00 177.93 179.62 1sku h SER 171 N -0.65 0.00 0.54 2.45 4.64 -1.62 -2.82 113.55 116.09 1sku h SER 171 Ca -0.01 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1sku h SER 171 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1sku h SER 171 CO 0.02 0.16 -0.86 0.25 -0.87 0.00 0.00 176.83 175.53 1sku h LEU 172 N 0.00 0.29 -0.72 5.97 5.85 -1.52 -2.11 115.31 123.06 1sku h LEU 172 Ca -0.00 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1sku h LEU 172 Cb 0.63 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1sku h LEU 172 CO 0.02 1.02 -0.47 0.74 -0.34 0.00 0.00 178.44 179.41 1sku h THR 173 N 0.13 1.01 0.03 1.05 2.02 -1.23 -2.16 112.91 113.76 1sku h THR 173 Ca -0.04 -1.82 -0.25 0.00 0.77 0.00 0.00 66.41 65.06 1sku h THR 173 Cb 1.48 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.95 1sku h THR 173 CO 0.13 0.46 -1.25 1.56 0.37 0.00 0.00 175.52 176.79 1sku h GLN 174 N 0.00 0.07 0.09 6.66 1.08 -1.49 -2.76 115.11 118.75 1sku h GLN 174 Ca -0.00 -0.11 -0.28 0.00 -1.45 0.00 0.00 58.65 56.80 1sku h GLN 174 Cb 1.05 0.04 0.02 0.00 -0.05 0.00 0.00 27.48 28.54 1sku h GLN 174 CO 0.06 0.94 -1.17 0.00 -0.95 0.00 0.00 178.83 177.70 1sku h ALA 175 N 0.88 0.11 0.00 3.87 0.00 -1.33 -3.04 119.26 119.74 1sku h ALA 175 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1sku h ALA 175 Cb 1.88 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1sku h ALA 175 CO 0.13 0.78 0.00 -0.07 0.00 0.00 0.00 179.25 180.09 1sku h LEU 176 N 0.22 0.00 -0.71 0.00 3.38 -1.53 -3.05 115.31 113.62 1sku h LEU 176 Ca -0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1sku h LEU 176 Cb 1.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 1sku h LEU 176 CO 0.21 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.62 1sku h ALA 177 N 2.31 0.96 0.00 1.53 0.00 -1.42 -2.90 119.26 119.75 1sku h ALA 177 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sku h ALA 177 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1sku h ALA 177 CO 0.00 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.03 1sku n LYS 178 N -3.18 0.00 -3.54 0.00 5.02 -1.15 -4.74 118.16 110.57 1sku n LYS 178 Ca 0.02 0.24 -0.22 0.00 -2.02 0.00 0.00 58.31 56.33 1sku n LYS 178 Cb 0.46 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1sku n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sku s PHE 179 N -2.99 2.24 0.24 2.13 0.08 -1.09 -4.95 117.98 113.63 1sku s PHE 179 Ca 0.07 -0.61 0.08 0.00 0.12 0.00 0.00 56.93 56.59 1sku s PHE 179 Cb 0.10 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1sku s PHE 179 CO 0.28 -0.38 0.07 -0.51 -0.10 0.00 0.00 175.22 174.57 1sku s ASP 180 N -4.26 4.95 0.00 1.36 1.01 -1.26 -4.69 116.67 113.78 1sku s ASP 180 Ca 0.47 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 53.29 1sku s ASP 180 Cb -0.04 -1.09 0.00 0.00 1.01 0.00 0.00 42.92 42.80 1sku s ASP 180 CO 0.28 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.28 1sku n GLY 181 N -0.80 0.63 3.73 0.21 0.00 -1.26 -2.53 105.19 105.17 1sku n GLY 181 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.62 7.05 -0.14 1.61 0.01 -1.26 -3.73 114.94 115.86 1sku s ASN 182 Ca 0.00 2.21 -0.05 0.00 -0.71 0.00 0.00 52.86 54.30 1sku s ASN 182 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1sku s ASN 182 CO 0.00 -0.43 0.05 -0.60 -1.51 0.00 0.00 177.10 174.61 1sku s ARG 183 N 0.16 3.59 -0.07 -0.60 6.06 -0.70 -4.39 118.95 122.99 1sku s ARG 183 Ca 0.55 -0.35 0.05 0.00 -2.50 0.00 0.00 55.73 53.48 1sku s ARG 183 Cb -0.33 -3.06 -0.01 0.00 0.06 0.00 0.00 34.95 31.61 1sku s ARG 183 CO 0.35 0.47 -0.22 -0.06 -2.50 0.00 0.00 175.30 173.33 1sku s PHE 184 N -0.19 2.54 -0.36 5.12 0.08 -1.14 -1.95 117.98 122.07 1sku s PHE 184 Ca 0.07 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.46 1sku s PHE 184 Cb -0.12 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 40.79 1sku s PHE 184 CO 0.02 -0.18 0.13 0.71 -0.10 0.00 0.00 175.22 175.79 1sku s TYR 185 N -0.12 2.33 -0.73 0.36 1.51 -1.06 -2.62 117.35 117.02 1sku s TYR 185 Ca -0.04 -2.28 -0.24 0.00 -1.01 0.00 0.00 57.07 53.49 1sku s TYR 185 Cb -0.14 -2.10 0.05 0.00 -0.11 0.00 0.00 41.96 39.67 1sku s TYR 185 CO 0.04 -0.86 1.15 -0.06 -1.11 0.00 0.00 175.55 174.71 1sku s PHE 186 N 1.02 2.50 -0.75 2.71 0.08 -1.12 -2.66 117.98 119.76 1sku s PHE 186 Ca 0.13 -0.38 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 1sku s PHE 186 Cb -0.20 -4.47 0.20 0.00 -0.57 0.00 0.00 43.02 37.97 1sku s PHE 186 CO -0.13 -1.86 0.69 0.96 -0.10 0.00 0.00 175.22 174.78 1sku s ILE 187 N 4.83 5.46 0.11 0.64 -4.36 -0.86 -3.77 121.20 123.24 1sku s ILE 187 Ca 0.30 -2.26 -0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1sku s ILE 187 Cb -0.11 -4.40 -0.04 0.00 1.25 0.00 0.00 42.46 39.15 1sku s ILE 187 CO 0.10 -0.99 0.03 0.00 0.24 0.00 0.00 174.94 174.32 1sku s ALA 188 N 0.49 0.80 1.00 2.27 0.00 -1.26 -2.78 121.76 122.28 1sku s ALA 188 Ca 0.14 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1sku s ALA 188 Cb -0.15 0.67 0.19 0.00 0.00 0.00 0.00 23.12 23.83 1sku s ALA 188 CO -0.06 -0.44 1.08 -1.25 0.00 0.00 0.00 175.76 175.09 1sku s PRO 189 N -4.00 0.41 0.34 0.00 0.04 -1.26 -4.78 135.00 125.74 1sku s PRO 189 Ca 0.19 0.85 0.11 0.00 0.04 0.00 0.00 61.00 62.20 1sku s PRO 189 Cb 0.07 -1.71 0.60 0.00 0.04 0.00 0.00 34.50 33.51 1sku s PRO 189 CO -0.01 -2.83 1.76 -0.44 0.04 0.00 0.00 177.00 175.51 1sku h ASP 190 N -1.98 0.03 1.36 6.66 5.19 -1.97 -2.34 116.42 123.37 1sku h ASP 190 Ca -0.53 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 1sku h ASP 190 Cb 1.31 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.81 1sku h ASP 190 CO 0.52 0.46 -0.05 0.00 -3.12 0.00 0.00 179.24 177.06 1sku h ALA 191 N 1.54 0.99 -0.60 3.45 0.00 -2.01 -3.22 119.26 119.41 1sku h ALA 191 Ca -0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 54.91 54.43 1sku h ALA 191 Cb 0.78 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.20 1sku h ALA 191 CO 0.06 0.06 -0.80 1.28 0.00 0.00 0.00 179.25 179.85 1sku n LEU 192 N -3.13 4.26 -4.77 0.00 4.77 -1.01 -4.93 117.00 112.19 1sku n LEU 192 Ca 0.02 -4.44 -0.36 0.00 -0.03 0.00 0.00 56.01 51.20 1sku n LEU 192 Cb 0.41 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1sku n LEU 192 CO 0.31 1.89 0.81 0.00 -1.33 0.00 0.00 177.39 179.07 1sku s ALA 193 N -3.50 2.79 0.25 -1.18 0.00 -0.91 -3.01 121.76 116.19 1sku s ALA 193 Ca 0.47 0.88 -0.31 0.00 0.00 0.00 0.00 51.96 53.00 1sku s ALA 193 Cb 0.40 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 20.02 1sku s ALA 193 CO 0.01 -0.76 1.63 -0.12 0.00 0.00 0.00 175.76 176.52 1sku n MET 194 N -1.02 2.66 -1.38 0.00 1.56 -1.26 -3.76 117.12 113.92 1sku n MET 194 Ca 0.10 0.95 -0.36 0.00 -0.27 0.00 0.00 57.70 58.12 1sku n MET 194 Cb 0.50 -2.75 0.07 0.00 2.15 0.00 0.00 33.22 33.19 1sku n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1sku n PRO 195 N 2.87 0.51 0.14 2.12 -0.02 -1.26 -4.88 135.00 134.47 1sku n PRO 195 Ca 0.12 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1sku n PRO 195 Cb 0.35 -2.08 0.37 0.00 -0.02 0.00 0.00 33.50 32.13 1sku n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1sku h GLN 196 N -0.15 0.17 -0.07 -0.52 5.75 -1.98 -2.93 115.11 115.38 1sku h GLN 196 Ca -0.47 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 57.93 1sku h GLN 196 Cb 1.35 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.87 1sku h GLN 196 CO 0.46 0.39 -0.23 0.10 -2.65 0.00 0.00 178.83 176.90 1sku h TYR 197 N 0.16 0.12 -0.02 3.99 -0.00 -1.99 0.18 116.97 119.40 1sku h TYR 197 Ca 0.03 -0.02 -0.21 0.00 -0.00 0.00 0.00 58.73 58.53 1sku h TYR 197 Cb 0.48 -0.03 -0.00 0.00 -0.00 0.00 0.00 36.73 37.17 1sku h TYR 197 CO 0.01 0.34 -0.87 0.82 -0.00 0.00 0.00 178.16 178.45 1sku h ILE 198 N 0.11 1.41 0.00 -0.90 2.04 -1.89 -3.08 117.51 115.20 1sku h ILE 198 Ca 0.02 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1sku h ILE 198 Cb 0.46 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1sku h ILE 198 CO 0.03 0.71 0.00 0.18 0.00 0.00 0.00 178.15 179.07 1sku n LEU 199 N -3.76 0.31 0.05 1.44 4.77 -0.78 -2.91 117.00 116.12 1sku n LEU 199 Ca -0.06 0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 56.25 1sku n LEU 199 Cb 0.79 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 1sku n LEU 199 CO 0.50 -0.22 -0.40 0.44 -1.33 0.00 0.00 177.39 176.37 1sku h ASP 200 N 0.00 0.53 0.79 -1.43 3.32 -0.90 -3.07 116.42 115.66 1sku h ASP 200 Ca 0.00 -0.90 -0.11 0.00 0.02 0.00 0.00 57.03 56.04 1sku h ASP 200 Cb 0.45 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1sku h ASP 200 CO 0.00 1.67 -0.51 0.00 -1.72 0.00 0.00 179.24 178.68 1sku h MET 201 N -0.11 0.00 -0.29 3.56 -0.00 -1.57 -2.29 114.93 114.22 1sku h MET 201 Ca -0.30 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.32 1sku h MET 201 Cb 1.92 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.51 1sku h MET 201 CO 0.13 0.51 -0.16 -0.07 -0.00 0.00 0.00 176.91 177.33 1sku h LEU 202 N 0.00 0.64 -1.70 -0.10 3.38 -1.66 -3.01 115.31 112.86 1sku h LEU 202 Ca -0.01 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1sku h LEU 202 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1sku h LEU 202 CO 0.07 0.91 -0.18 0.44 0.09 0.00 0.00 178.44 179.77 1sku h ASP 203 N 0.36 0.00 -0.23 -0.43 3.45 -1.42 -1.93 116.42 116.22 1sku h ASP 203 Ca 0.06 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.35 1sku h ASP 203 Cb 0.68 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.45 1sku h ASP 203 CO 0.05 0.18 -0.48 -0.33 -1.57 0.00 0.00 179.24 177.09 1sku h GLU 204 N 0.00 0.81 -0.01 3.56 5.08 -1.33 -3.20 114.58 119.49 1sku h GLU 204 Ca -0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1sku h GLU 204 Cb 0.39 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1sku h GLU 204 CO 0.02 1.11 -0.10 1.63 -1.00 0.00 0.00 179.01 180.66 1sku n LYS 205 N -4.02 1.24 -2.79 2.33 5.02 -1.10 -4.95 118.16 113.90 1sku n LYS 205 Ca -0.03 -0.68 -0.08 0.00 -2.02 0.00 0.00 58.31 55.49 1sku n LYS 205 Cb 0.59 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 1.24 0.30 3.63 0.72 0.00 -1.03 -5.04 105.19 105.01 1sku n GLY 206 Ca 0.16 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.13 4.67 0.32 -0.61 1.01 -0.76 -5.02 121.20 117.68 1sku s ILE 207 Ca 0.15 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 1sku s ILE 207 Cb -0.07 -3.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 1sku s ILE 207 CO 0.28 0.48 1.05 0.00 0.00 0.00 0.00 174.94 176.74 1sku s ALA 208 N 0.26 3.26 0.07 9.38 0.00 -1.26 -4.54 121.76 128.93 1sku s ALA 208 Ca 0.03 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.55 1sku s ALA 208 Cb -0.12 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1sku s ALA 208 CO 0.01 -0.10 0.46 1.67 0.00 0.00 0.00 175.76 177.79 1sku s TRP 209 N -1.39 -0.33 -0.20 0.00 1.48 -1.26 -2.88 118.94 114.37 1sku s TRP 209 Ca 0.49 0.25 -0.15 0.00 -1.06 0.00 0.00 56.10 55.63 1sku s TRP 209 Cb -0.26 0.29 0.06 0.00 -1.16 0.00 0.00 33.47 32.40 1sku s TRP 209 CO 0.33 -0.64 0.51 -1.54 -4.06 0.00 0.00 176.95 171.55 1sku s SER 210 N -2.22 -0.58 -0.28 -2.66 1.04 -1.08 -5.02 113.70 102.91 1sku s SER 210 Ca -0.03 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 1sku s SER 210 Cb -0.00 1.02 -0.04 0.00 0.10 0.00 0.00 66.02 67.10 1sku s SER 210 CO -0.05 -0.19 0.32 -0.76 0.98 0.00 0.00 173.24 173.54 1sku s LEU 211 N 0.76 4.06 0.00 2.42 1.43 -1.26 -2.77 118.68 123.32 1sku s LEU 211 Ca -0.04 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1sku s LEU 211 Cb -0.05 -2.34 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1sku s LEU 211 CO -0.06 -0.16 0.24 1.41 0.23 0.00 0.00 176.35 178.02 1sku n HIS 212 N 5.26 -1.76 0.27 0.29 8.25 -1.25 -5.04 115.22 121.24 1sku n HIS 212 Ca -0.10 -0.96 0.03 0.00 -0.26 0.00 0.00 57.72 56.43 1sku n HIS 212 Cb 0.51 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 1sku n HIS 212 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1sku n SER 213 N -2.25 0.52 -3.72 0.41 3.41 -1.26 -4.37 113.62 106.36 1sku n SER 213 Ca 0.02 -0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 57.79 1sku n SER 213 Cb 0.26 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 64.99 1sku n SER 213 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sku s SER 214 N -1.33 -0.34 0.33 4.04 1.04 -1.26 -4.89 113.70 111.30 1sku s SER 214 Ca 0.03 -0.40 0.18 0.00 0.48 0.00 0.00 55.95 56.24 1sku s SER 214 Cb 0.04 0.66 0.27 0.00 0.10 0.00 0.00 66.02 67.09 1sku s SER 214 CO 0.20 -1.17 1.54 0.40 0.98 0.00 0.00 173.24 175.19 1sku h ILE 215 N 2.00 0.69 -1.00 -1.02 2.04 -1.95 -3.32 117.51 114.95 1sku h ILE 215 Ca -0.24 -1.84 0.25 0.00 1.00 0.00 0.00 64.86 64.04 1sku h ILE 215 Cb 1.26 2.23 -0.08 0.00 -0.74 0.00 0.00 36.82 39.50 1sku h ILE 215 CO 0.28 0.37 0.66 -0.08 0.00 0.00 0.00 178.15 179.38 1sku h GLU 216 N 0.00 0.35 0.05 2.37 4.22 -1.96 -1.33 114.58 118.28 1sku h GLU 216 Ca -0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1sku h GLU 216 Cb 1.20 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sku h GLU 216 CO 0.05 0.23 -0.02 0.93 -2.18 0.00 0.00 179.01 178.02 1sku h GLU 217 N 0.37 -0.06 -0.01 1.92 5.08 -2.01 -3.36 114.58 116.50 1sku h GLU 217 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1sku h GLU 217 Cb 1.45 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1sku h GLU 217 CO -0.23 0.56 -0.14 1.55 -1.00 0.00 0.00 179.01 179.76 1sku n VAL 218 N -4.79 0.00 0.25 3.13 3.14 -1.04 -4.37 118.33 114.65 1sku n VAL 218 Ca -0.08 -0.24 0.10 0.00 -2.96 0.00 0.00 64.34 61.16 1sku n VAL 218 Cb 0.32 0.65 0.67 0.00 -1.06 0.00 0.00 33.84 34.42 1sku n VAL 218 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 1sku h MET 219 N 2.24 0.00 -0.70 1.45 4.05 -1.40 -1.96 114.93 118.61 1sku h MET 219 Ca 0.00 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1sku h MET 219 Cb 0.59 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.34 1sku h MET 219 CO 0.00 0.12 0.43 0.00 0.23 0.00 0.00 176.91 177.68 1sku h ALA 220 N 1.88 0.93 -3.04 0.39 0.00 -1.82 -3.36 119.26 114.24 1sku h ALA 220 Ca -0.00 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1sku h ALA 220 Cb 0.25 -0.20 -0.42 0.00 0.00 0.00 0.00 17.79 17.43 1sku h ALA 220 CO 0.02 0.17 -0.60 -1.21 0.00 0.00 0.00 179.25 177.63 1sku s GLU 221 N -6.11 2.38 -0.15 0.00 8.01 -0.74 -4.37 118.70 117.72 1sku s GLU 221 Ca -0.13 -3.28 -0.10 0.00 0.01 0.00 0.00 54.97 51.47 1sku s GLU 221 Cb 0.16 -3.31 0.05 0.00 -4.31 0.00 0.00 34.13 26.72 1sku s GLU 221 CO 0.77 -1.29 0.37 0.14 0.01 0.00 0.00 175.26 175.25 1sku s VAL 222 N -1.37 -0.02 -0.18 2.63 -7.23 -1.25 -4.91 120.40 108.06 1sku s VAL 222 Ca 0.25 0.07 0.22 0.00 -1.81 0.00 0.00 61.98 60.72 1sku s VAL 222 Cb -0.04 -0.54 -0.24 0.00 0.56 0.00 0.00 36.38 36.12 1sku s VAL 222 CO -0.17 0.03 0.67 0.47 -0.31 0.00 0.00 175.10 175.79 1sku n ASP 223 N 3.80 0.30 -4.00 4.85 8.00 -0.28 -4.39 116.55 124.83 1sku n ASP 223 Ca -0.20 -0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.18 1sku n ASP 223 Cb 0.56 1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 43.04 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 -3.43 0.26 -0.49 0.53 1.09 -1.20 -2.60 121.20 115.37 1sku s ILE 224 Ca -0.04 -0.84 0.05 0.00 -1.10 0.00 0.00 60.65 58.71 1sku s ILE 224 Cb 0.13 -0.36 0.19 0.00 -1.06 0.00 0.00 42.46 41.37 1sku s ILE 224 CO 0.87 -0.38 0.45 -0.11 -0.10 0.00 0.00 174.94 175.67 1sku n LEU 225 N 1.77 0.75 -4.57 2.97 0.00 -1.12 -2.48 117.00 114.33 1sku n LEU 225 Ca -0.22 -4.71 -0.27 0.00 0.00 0.00 0.00 56.01 50.81 1sku n LEU 225 Cb 0.56 0.19 -0.05 0.00 0.00 0.00 0.00 43.42 44.11 1sku n LEU 225 CO 0.21 1.90 1.40 -0.47 0.00 0.00 0.00 177.39 180.43 1sku s TYR 226 N -0.74 1.86 -0.07 1.96 5.04 -0.34 -2.51 117.35 122.56 1sku s TYR 226 Ca 0.32 0.56 -0.30 0.00 -2.44 0.00 0.00 57.07 55.22 1sku s TYR 226 Cb 0.06 -4.03 -0.03 0.00 0.35 0.00 0.00 41.96 38.30 1sku s TYR 226 CO -0.16 -1.57 1.29 -1.64 -1.34 0.00 0.00 175.55 172.13 1sku s MET 227 N 6.81 4.30 0.70 4.97 -1.94 0.12 -2.75 119.30 131.52 1sku s MET 227 Ca 0.69 1.77 0.01 0.00 -1.71 0.00 0.00 55.69 56.45 1sku s MET 227 Cb -0.05 -3.63 0.12 0.00 2.01 0.00 0.00 34.83 33.29 1sku s MET 227 CO 0.04 -0.56 0.97 0.95 -0.01 0.00 0.00 175.02 176.41 1sku s THR 228 N 2.66 2.12 -0.12 2.05 -4.23 -0.93 -4.23 115.64 112.96 1sku s THR 228 Ca 0.58 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1sku s THR 228 Cb -0.26 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 1sku s THR 228 CO 0.22 0.00 0.29 -0.13 -0.54 0.00 0.00 174.62 174.46 1sku s ARG 229 N -5.08 4.03 -0.15 3.99 3.00 -1.26 -4.76 118.95 118.72 1sku s ARG 229 Ca 0.66 0.13 0.01 0.00 0.00 0.00 0.00 55.73 56.53 1sku s ARG 229 Cb -0.05 -3.33 0.02 0.00 0.00 0.00 0.00 34.95 31.58 1sku s ARG 229 CO 0.44 0.44 -0.18 0.08 0.00 0.00 0.00 175.30 176.08 1sku s VAL 230 N -0.17 1.83 0.23 3.52 1.01 -1.26 -4.32 120.40 121.24 1sku s VAL 230 Ca 0.18 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 1sku s VAL 230 Cb -0.14 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.50 1sku s VAL 230 CO 0.06 0.50 0.80 -1.10 0.00 0.00 0.00 175.10 175.36 1sku s GLN 231 N 1.13 4.45 0.27 2.72 1.11 -1.26 -4.96 119.66 123.12 1sku s GLN 231 Ca -0.01 1.09 0.04 0.00 0.01 0.00 0.00 55.36 56.48 1sku s GLN 231 Cb -0.14 -3.00 0.39 0.00 -1.01 0.00 0.00 33.01 29.25 1sku s GLN 231 CO -0.07 0.43 1.68 -0.22 0.01 0.00 0.00 175.29 177.12 1sku h LYS 232 N 3.68 0.37 0.00 2.91 3.64 -1.97 -3.14 116.57 122.06 1sku h LYS 232 Ca -0.47 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 1sku h LYS 232 Cb 1.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1sku h LYS 232 CO 0.65 0.69 0.00 -0.85 -2.27 0.00 0.00 179.45 177.68 1sku n GLU 233 N -4.05 0.43 0.06 1.90 0.28 -1.26 -3.34 120.64 114.66 1sku n GLU 233 Ca -0.01 0.05 -0.04 0.00 -0.16 0.00 0.00 57.16 57.00 1sku n GLU 233 Cb 0.47 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.02 1sku n GLU 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sku h ARG 234 N 0.00 0.33 0.00 3.44 2.47 -1.95 -3.47 114.38 115.20 1sku h ARG 234 Ca 0.00 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1sku h ARG 234 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1sku h ARG 234 CO 0.00 0.70 0.00 1.47 0.56 0.00 0.00 179.97 182.70 1sku n LEU 235 N -4.02 0.00 -4.71 3.04 -0.00 -1.21 -5.13 117.00 104.97 1sku n LEU 235 Ca -0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.66 1sku n LEU 235 Cb 0.50 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.03 1sku n LEU 235 CO 0.43 0.00 0.75 -1.81 -0.00 0.00 0.00 177.39 176.76 1sku s ASP 236 N -0.79 3.85 0.21 1.45 1.11 -1.26 -4.94 116.67 116.30 1sku s ASP 236 Ca 0.00 2.26 0.26 0.00 0.18 0.00 0.00 52.55 55.24 1sku s ASP 236 Cb 0.00 -2.58 0.76 0.00 1.07 0.00 0.00 42.92 42.17 1sku s ASP 236 CO 0.00 -2.49 1.74 1.55 1.18 0.00 0.00 175.17 177.15 1sku h PRO 237 N -0.84 0.00 0.00 8.23 0.13 -1.99 -2.90 132.00 134.63 1sku h PRO 237 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1sku h PRO 237 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1sku h PRO 237 CO 0.47 0.00 -0.15 0.77 -0.23 0.00 0.00 178.00 178.86 1sku h SER 238 N 0.00 0.00 0.73 1.44 0.02 -1.98 -3.10 113.55 110.66 1sku h SER 238 Ca 0.00 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 1sku h SER 238 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1sku h SER 238 CO 0.00 0.92 0.00 -0.62 -1.14 0.00 0.00 176.83 175.99 1sku n GLU 239 N -4.63 0.08 0.05 3.45 1.02 -1.26 -2.22 120.64 117.13 1sku n GLU 239 Ca -0.10 0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 1sku n GLU 239 Cb 0.38 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.19 1sku n GLU 239 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1sku h TYR 240 N 0.00 1.00 0.83 -0.32 3.20 -1.63 -3.39 116.97 116.66 1sku h TYR 240 Ca 0.00 -0.56 -0.04 0.00 3.14 0.00 0.00 58.73 61.26 1sku h TYR 240 Cb 0.37 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1sku h TYR 240 CO 0.00 1.40 -0.40 0.00 -1.64 0.00 0.00 178.16 177.52 1sku h ALA 241 N 0.36 -1.27 -2.40 1.82 0.00 -1.36 -3.34 119.26 113.06 1sku h ALA 241 Ca -0.14 -0.24 -0.49 0.00 0.00 0.00 0.00 54.91 54.03 1sku h ALA 241 Cb 1.71 0.43 0.10 0.00 0.00 0.00 0.00 17.79 20.04 1sku h ALA 241 CO 0.20 -1.19 0.36 0.54 0.00 0.00 0.00 179.25 179.16 1sku s ASN 242 N -3.70 4.84 0.00 0.00 2.20 -1.16 -3.69 114.94 113.44 1sku s ASN 242 Ca -0.16 1.36 0.00 0.00 -0.94 0.00 0.00 52.86 53.11 1sku s ASN 242 Cb 0.02 -2.14 0.00 0.00 -2.00 0.00 0.00 41.25 37.13 1sku s ASN 242 CO 0.49 -1.75 0.00 0.55 -2.94 0.00 0.00 177.10 173.44 1sku n VAL 243 N -3.30 0.00 0.97 3.54 3.14 -1.26 -4.76 118.33 116.66 1sku n VAL 243 Ca 0.07 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.58 1sku n VAL 243 Cb 0.56 0.00 0.37 0.00 -1.06 0.00 0.00 33.84 33.71 1sku n VAL 243 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1sku n ASN 244 N 0.00 0.36 -4.77 6.55 5.15 -1.24 -4.82 115.26 116.48 1sku n ASN 244 Ca 0.00 0.03 -0.40 0.00 -0.60 0.00 0.00 54.58 53.61 1sku n ASN 244 Cb 0.00 -0.02 0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1sku n ASN 244 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sku s ALA 245 N -3.01 3.32 0.00 5.20 0.00 -1.26 -2.04 121.76 123.97 1sku s ALA 245 Ca 0.12 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1sku s ALA 245 Cb 0.18 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1sku s ALA 245 CO 0.64 -1.11 0.00 1.04 0.00 0.00 0.00 175.76 176.34 1sku n GLN 246 N 0.01 -0.91 -0.20 0.00 1.13 -1.26 -4.75 117.38 111.41 1sku n GLN 246 Ca 0.04 0.23 0.06 0.00 -1.94 0.00 0.00 57.00 55.38 1sku n GLN 246 Cb 0.41 -4.09 0.15 0.00 0.11 0.00 0.00 30.24 26.82 1sku n GLN 246 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1sku n PHE 247 N -2.29 0.44 -0.03 1.08 0.99 -0.86 -3.77 117.46 113.01 1sku n PHE 247 Ca 0.00 -0.66 0.04 0.00 -0.00 0.00 0.00 57.45 56.82 1sku n PHE 247 Cb 0.23 -0.12 -0.16 0.00 -1.00 0.00 0.00 39.48 38.43 1sku n PHE 247 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1sku n VAL 248 N -0.22 0.53 -2.83 -4.37 0.31 -1.24 -4.55 118.33 105.96 1sku n VAL 248 Ca 0.12 -0.63 -0.01 0.00 -0.01 0.00 0.00 64.34 63.82 1sku n VAL 248 Cb 0.54 -0.20 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 1sku n VAL 248 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1sku n LEU 249 N -2.46 -6.45 -4.92 7.52 7.94 -1.25 -3.39 117.00 113.99 1sku n LEU 249 Ca -0.14 1.33 -0.26 0.00 -1.11 0.00 0.00 56.01 55.83 1sku n LEU 249 Cb 0.77 -2.81 0.02 0.00 0.53 0.00 0.00 43.42 41.93 1sku n LEU 249 CO 0.45 -2.95 0.45 -0.13 -1.11 0.00 0.00 177.39 174.10 1sku s ARG 250 N -1.20 3.19 0.13 1.96 1.81 -1.26 -2.79 118.95 120.79 1sku s ARG 250 Ca -0.05 -0.01 0.26 0.00 -1.72 0.00 0.00 55.73 54.20 1sku s ARG 250 Cb 0.00 -2.36 0.95 0.00 -0.45 0.00 0.00 34.95 33.09 1sku s ARG 250 CO 0.55 -0.43 1.79 0.00 -0.68 0.00 0.00 175.30 176.53 1sku n ALA 251 N -2.37 2.15 1.87 2.13 0.00 -1.26 -2.76 120.51 120.27 1sku n ALA 251 Ca 0.02 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1sku n ALA 251 Cb 0.57 -1.44 0.38 0.00 0.00 0.00 0.00 19.45 18.96 1sku n ALA 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sku n SER 252 N -1.94 0.26 -0.63 0.00 2.88 -1.26 -3.22 113.62 109.71 1sku n SER 252 Ca 0.05 -1.61 0.09 0.00 -1.33 0.00 0.00 58.87 56.08 1sku n SER 252 Cb 0.35 -0.02 0.05 0.00 -0.75 0.00 0.00 64.21 63.83 1sku n SER 252 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1sku n ASP 253 N -0.54 2.27 -1.93 -3.46 8.00 -1.11 -4.51 116.55 115.26 1sku n ASP 253 Ca 0.11 -1.64 -0.16 0.00 0.71 0.00 0.00 54.79 53.81 1sku n ASP 253 Cb 0.09 0.20 0.16 0.00 -0.02 0.00 0.00 41.12 41.55 1sku n ASP 253 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sku n LEU 254 N 0.60 5.84 0.08 0.64 4.77 -1.20 -4.54 117.00 123.20 1sku n LEU 254 Ca 0.10 -3.09 -0.12 0.00 -0.03 0.00 0.00 56.01 52.87 1sku n LEU 254 Cb 0.45 -0.76 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 1sku n LEU 254 CO 0.17 0.89 0.46 1.12 -1.33 0.00 0.00 177.39 178.71 1sku h HIS 255 N 1.05 -0.25 -0.01 -1.77 2.07 -1.83 -3.36 115.15 111.05 1sku h HIS 255 Ca 0.45 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 1sku h HIS 255 Cb 2.40 0.08 0.00 0.00 2.57 0.00 0.00 27.41 32.46 1sku h HIS 255 CO 1.22 0.16 -0.43 0.27 -3.07 0.00 0.00 177.93 176.09 1sku n ASN 256 N -4.99 1.94 -4.72 3.10 0.23 -1.26 -4.98 115.26 104.59 1sku n ASN 256 Ca -0.08 -1.47 -0.39 0.00 -0.53 0.00 0.00 54.58 52.10 1sku n ASN 256 Cb 0.26 0.47 0.03 0.00 -2.08 0.00 0.00 39.78 38.46 1sku n ASN 256 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sku n ALA 257 N -0.02 1.37 -1.52 -2.53 0.00 -1.26 -4.62 120.51 111.94 1sku n ALA 257 Ca 0.09 0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1sku n ALA 257 Cb 0.43 -2.30 0.07 0.00 0.00 0.00 0.00 19.45 17.66 1sku n ALA 257 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sku n LYS 258 N -0.63 0.75 -0.19 0.00 5.02 -1.26 -4.92 118.16 116.93 1sku n LYS 258 Ca 0.09 0.31 -0.10 0.00 -2.02 0.00 0.00 58.31 56.59 1sku n LYS 258 Cb 0.43 -2.30 0.01 0.00 -0.02 0.00 0.00 35.03 33.15 1sku n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sku h ALA 259 N 0.12 0.73 0.00 7.82 0.00 -1.94 -2.80 119.26 123.18 1sku h ALA 259 Ca -0.49 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1sku h ALA 259 Cb 1.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sku h ALA 259 CO 0.49 0.58 0.00 0.27 0.00 0.00 0.00 179.25 180.60 1sku n ASN 260 N -4.23 0.00 -4.76 0.00 6.94 -1.26 -4.89 115.26 107.06 1sku n ASN 260 Ca 0.01 0.27 -0.41 0.00 -0.02 0.00 0.00 54.58 54.43 1sku n ASN 260 Cb 0.35 -0.42 -0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1sku n ASN 260 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1sku n MET 261 N -1.42 2.59 -3.94 -3.83 1.56 -1.06 -4.83 117.12 106.19 1sku n MET 261 Ca 0.09 0.91 -0.19 0.00 -0.27 0.00 0.00 57.70 58.24 1sku n MET 261 Cb 0.27 -2.63 -0.17 0.00 2.15 0.00 0.00 33.22 32.85 1sku n MET 261 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1sku s LYS 262 N -1.78 0.47 -0.18 2.12 -0.14 -1.07 -4.55 119.74 114.61 1sku s LYS 262 Ca 0.56 0.06 -0.24 0.00 -1.36 0.00 0.00 55.97 54.99 1sku s LYS 262 Cb -0.50 -0.68 -0.02 0.00 -1.68 0.00 0.00 37.83 34.96 1sku s LYS 262 CO 0.61 -0.17 0.76 0.08 -0.76 0.00 0.00 175.35 175.87 1sku s VAL 263 N 1.27 4.93 0.06 3.17 1.01 -0.88 -2.78 120.40 127.18 1sku s VAL 263 Ca -0.06 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.44 1sku s VAL 263 Cb -0.13 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1sku s VAL 263 CO -0.02 0.06 -0.04 -0.76 0.00 0.00 0.00 175.10 174.33 1sku s LEU 264 N 2.05 3.29 -0.11 3.92 1.43 -1.04 -2.08 118.68 126.15 1sku s LEU 264 Ca 0.35 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 1sku s LEU 264 Cb -0.16 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1sku s LEU 264 CO 0.12 0.21 0.26 -2.28 0.23 0.00 0.00 176.35 174.89 1sku s HIS 265 N -1.19 -0.33 0.32 0.29 2.46 -1.26 -0.71 115.29 114.88 1sku s HIS 265 Ca 0.22 0.78 0.09 0.00 0.47 0.00 0.00 55.06 56.61 1sku s HIS 265 Cb -0.11 0.08 0.93 0.00 -0.13 0.00 0.00 32.58 33.35 1sku s HIS 265 CO 0.14 -0.21 1.62 -1.00 -2.47 0.00 0.00 174.74 172.83 1sku h PRO 266 N 6.70 0.15 0.00 2.88 0.13 -1.94 -3.46 132.00 136.46 1sku h PRO 266 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1sku h PRO 266 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1sku h PRO 266 CO 0.36 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 1sku n LEU 267 N -5.24 0.00 -4.55 1.56 4.77 -1.26 -4.92 117.00 107.36 1sku n LEU 267 Ca 0.27 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 1sku n LEU 267 Cb 0.89 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 1sku n LEU 267 CO 0.03 0.00 1.00 -2.16 -1.33 0.00 0.00 177.39 174.93 1sku s PRO 268 N 0.00 3.35 0.32 3.23 0.05 -1.26 -4.98 135.00 135.71 1sku s PRO 268 Ca 0.00 -0.09 0.10 0.00 0.05 0.00 0.00 61.00 61.06 1sku s PRO 268 Cb 0.00 -4.08 -0.06 0.00 0.05 0.00 0.00 34.50 30.41 1sku s PRO 268 CO 0.00 -1.76 -0.11 -0.98 0.05 0.00 0.00 177.00 174.20 1sku s ARG 269 N 4.83 1.85 0.11 4.56 1.70 -1.26 -4.81 118.95 125.93 1sku s ARG 269 Ca 0.36 -1.81 0.00 0.00 -0.47 0.00 0.00 55.73 53.81 1sku s ARG 269 Cb -0.10 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.48 1sku s ARG 269 CO 0.20 0.22 0.00 1.55 -1.08 0.00 0.00 175.30 176.19 1sku n VAL 270 N -0.77 0.00 -0.09 4.99 3.14 -1.26 -4.99 118.33 119.34 1sku n VAL 270 Ca -0.05 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.19 1sku n VAL 270 Cb 0.62 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.31 1sku n VAL 270 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1sku n ASP 271 N -2.68 2.39 0.23 6.55 2.03 -1.26 -4.71 116.55 119.10 1sku n ASP 271 Ca 0.00 -0.05 0.16 0.00 0.52 0.00 0.00 54.79 55.42 1sku n ASP 271 Cb 0.00 -0.33 0.61 0.00 -0.72 0.00 0.00 41.12 40.68 1sku n ASP 271 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1sku h GLU 272 N -0.11 0.00 -4.62 -0.67 9.09 -1.80 -3.40 114.58 113.08 1sku h GLU 272 Ca -0.43 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.44 1sku h GLU 272 Cb 1.61 0.00 -0.34 0.00 -1.65 0.00 0.00 28.75 28.37 1sku h GLU 272 CO -0.10 0.00 -0.82 0.42 0.05 0.00 0.00 179.01 178.56 1sku s ILE 273 N -3.54 1.26 0.57 -1.06 -1.09 -1.22 -3.83 121.20 112.29 1sku s ILE 273 Ca 0.02 -0.53 -0.13 0.00 -2.23 0.00 0.00 60.65 57.78 1sku s ILE 273 Cb 0.09 -1.15 -0.06 0.00 -1.58 0.00 0.00 42.46 39.76 1sku s ILE 273 CO 0.50 0.39 1.00 0.00 -1.23 0.00 0.00 174.94 175.60 1sku s ALA 274 N 0.76 3.10 0.11 9.38 0.00 -1.12 -4.64 121.76 129.35 1sku s ALA 274 Ca -0.12 0.00 0.20 0.00 0.00 0.00 0.00 51.96 52.04 1sku s ALA 274 Cb -0.16 -3.08 0.67 0.00 0.00 0.00 0.00 23.12 20.55 1sku s ALA 274 CO 0.02 -0.50 1.72 0.00 0.00 0.00 0.00 175.76 177.01 1sku h THR 275 N 0.19 0.78 0.00 0.00 1.03 -1.95 -2.87 112.91 110.08 1sku h THR 275 Ca -0.45 -1.49 0.00 0.00 -0.01 0.00 0.00 66.41 64.45 1sku h THR 275 Cb 1.19 1.95 0.00 0.00 -1.07 0.00 0.00 68.15 70.21 1sku h THR 275 CO 0.62 0.34 0.00 -0.90 -0.01 0.00 0.00 175.52 175.57 1sku n ASP 276 N -3.45 0.28 0.17 0.00 5.68 -1.26 -2.67 116.55 115.30 1sku n ASP 276 Ca 0.00 0.57 0.05 0.00 -0.50 0.00 0.00 54.79 54.91 1sku n ASP 276 Cb 0.52 -0.63 0.20 0.00 -1.14 0.00 0.00 41.12 40.07 1sku n ASP 276 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1sku h VAL 277 N 0.00 0.78 -0.99 2.12 2.07 -1.86 -3.31 116.25 115.06 1sku h VAL 277 Ca 0.00 -1.78 0.05 0.00 0.82 0.00 0.00 66.70 65.79 1sku h VAL 277 Cb 0.29 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 1sku h VAL 277 CO 0.00 0.39 0.64 0.44 0.02 0.00 0.00 177.57 179.06 1sku h ASP 278 N 0.00 1.04 0.39 0.57 5.19 -1.69 -2.77 116.42 119.15 1sku h ASP 278 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1sku h ASP 278 Cb 1.12 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 1sku h ASP 278 CO 0.05 0.68 -0.35 0.07 -3.12 0.00 0.00 179.24 176.57 1sku h LYS 279 N 1.19 0.00 -7.16 3.56 2.10 -1.77 -3.45 116.57 111.04 1sku h LYS 279 Ca 0.41 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.56 1sku h LYS 279 Cb 0.10 0.00 0.08 0.00 -0.90 0.00 0.00 32.23 31.51 1sku h LYS 279 CO -0.15 0.35 0.39 0.95 -2.00 0.00 0.00 179.45 178.98 1sku s THR 280 N -4.17 3.42 -0.32 0.07 -4.23 -1.04 -4.95 115.64 104.41 1sku s THR 280 Ca -0.03 0.73 0.27 0.00 -1.18 0.00 0.00 61.69 61.49 1sku s THR 280 Cb 0.14 -3.25 0.32 0.00 1.34 0.00 0.00 72.50 71.05 1sku s THR 280 CO 0.71 -0.34 1.80 1.55 -0.54 0.00 0.00 174.62 177.80 1sku h PRO 281 N 0.53 0.00 0.08 3.99 0.13 -1.86 -3.22 132.00 131.66 1sku h PRO 281 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1sku h PRO 281 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sku h PRO 281 CO 0.56 0.00 -0.06 0.45 -0.23 0.00 0.00 178.00 178.72 1sku h HIS 282 N 0.00 -0.16 -1.62 1.56 3.86 -1.88 -3.43 115.15 113.49 1sku h HIS 282 Ca 0.00 -0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.50 1sku h HIS 282 Cb 0.58 0.06 0.04 0.00 1.06 0.00 0.00 27.41 29.15 1sku h HIS 282 CO 0.00 -0.10 0.66 0.00 0.86 0.00 0.00 177.93 179.35 1sku n ALA 283 N -2.20 -0.62 -2.59 2.45 0.00 -1.22 -2.08 120.51 114.24 1sku n ALA 283 Ca -0.07 0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.81 1sku n ALA 283 Cb 0.10 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.46 1sku n ALA 283 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1sku n TRP 284 N 3.85 -0.36 0.01 0.00 -0.00 -0.88 -4.86 117.44 115.19 1sku n TRP 284 Ca 0.22 -1.49 0.01 0.00 -0.00 0.00 0.00 57.50 56.24 1sku n TRP 284 Cb 0.16 0.57 -0.10 0.00 -0.00 0.00 0.00 31.31 31.94 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 -0.71 0.64 0.05 5.87 0.18 -1.22 -2.34 117.16 119.64 1sku n TYR 285 Ca -0.08 0.21 -0.09 0.00 1.88 0.00 0.00 57.90 59.82 1sku n TYR 285 Cb 0.86 -0.96 -0.13 0.00 -0.38 0.00 0.00 39.34 38.74 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 0.09 0.00 -3.48 0.04 -1.91 -2.96 116.94 108.73 1sku h PHE 286 Ca -0.19 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 1sku h PHE 286 Cb 1.54 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.69 1sku h PHE 286 CO 0.00 1.06 -0.12 1.96 -0.60 0.00 0.00 178.31 180.61 1sku h GLN 287 N 0.01 0.00 -0.20 1.51 7.50 -1.93 -2.58 115.11 119.43 1sku h GLN 287 Ca -0.08 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.90 1sku h GLN 287 Cb 1.85 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.38 1sku h GLN 287 CO 0.13 0.12 -0.53 0.37 -1.50 0.00 0.00 178.83 177.42 1sku h GLN 288 N 0.00 0.71 -0.14 1.46 4.15 -1.51 -2.54 115.11 117.24 1sku h GLN 288 Ca -0.00 -0.50 -0.11 0.00 0.77 0.00 0.00 58.65 58.81 1sku h GLN 288 Cb 1.04 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1sku h GLN 288 CO 0.02 1.12 -0.39 0.00 -1.93 0.00 0.00 178.83 177.64 1sku h ALA 289 N 0.59 1.07 0.00 3.38 0.00 -1.51 -2.22 119.26 120.57 1sku h ALA 289 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1sku h ALA 289 Cb 1.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1sku h ALA 289 CO 0.11 0.59 -0.46 0.78 0.00 0.00 0.00 179.25 180.27 1sku h GLY 290 N 1.17 0.00 1.88 0.00 0.00 -1.48 -2.31 103.07 102.32 1sku h GLY 290 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1sku h GLY 290 CO 0.06 0.00 -0.04 0.70 0.00 0.00 0.00 176.54 177.26 1sku n ASN 291 N -3.92 0.05 0.27 0.19 3.02 -0.96 -3.43 115.26 110.47 1sku n ASN 291 Ca -0.01 0.39 0.15 0.00 -0.03 0.00 0.00 54.58 55.08 1sku n ASN 291 Cb 0.49 -0.42 0.65 0.00 -0.61 0.00 0.00 39.78 39.90 1sku n ASN 291 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1sku h GLY 292 N 5.00 0.00 2.00 7.41 0.00 -0.81 -2.90 103.07 113.77 1sku h GLY 292 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1sku h GLY 292 CO 0.00 0.00 -0.47 0.16 0.00 0.00 0.00 176.54 176.23 1sku h ILE 293 N 0.00 0.92 0.00 2.60 -0.00 -1.67 -2.99 117.51 116.37 1sku h ILE 293 Ca -0.00 -1.97 -0.24 0.00 -0.00 0.00 0.00 64.86 62.65 1sku h ILE 293 Cb 0.54 2.22 -0.04 0.00 -0.00 0.00 0.00 36.82 39.54 1sku h ILE 293 CO 0.01 0.47 -1.27 -0.26 -0.00 0.00 0.00 178.15 177.09 1sku h PHE 294 N 0.00 0.00 -0.09 0.16 -1.00 -1.72 -2.05 116.94 112.24 1sku h PHE 294 Ca -0.00 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 1sku h PHE 294 Cb 1.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 1sku h PHE 294 CO 0.00 0.98 -0.60 0.00 -1.61 0.00 0.00 178.31 177.08 1sku h ALA 295 N 1.02 0.81 0.00 2.45 0.00 -1.57 -1.70 119.26 120.27 1sku h ALA 295 Ca -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1sku h ALA 295 Cb 1.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1sku h ALA 295 CO 0.11 0.72 -0.53 0.00 0.00 0.00 0.00 179.25 179.56 1sku h ARG 296 N 0.22 0.00 0.02 0.00 3.08 -1.61 -2.93 114.38 113.16 1sku h ARG 296 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1sku h ARG 296 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 1sku h ARG 296 CO 0.10 0.00 -1.03 1.96 -1.07 0.00 0.00 179.97 179.93 1sku h GLN 297 N 0.00 0.03 -0.01 0.04 4.20 -1.29 -3.09 115.11 115.00 1sku h GLN 297 Ca 0.00 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 1sku h GLN 297 Cb 0.93 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1sku h GLN 297 CO 0.00 1.03 -0.85 0.00 -0.67 0.00 0.00 178.83 178.34 1sku h ALA 298 N 0.95 0.54 -0.27 3.87 0.00 -1.35 -2.90 119.26 120.09 1sku h ALA 298 Ca -0.02 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1sku h ALA 298 Cb 1.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1sku h ALA 298 CO 0.14 0.88 -0.39 1.25 0.00 0.00 0.00 179.25 181.13 1sku h LEU 299 N 0.13 0.82 -0.04 0.00 5.85 -1.58 -2.87 115.31 117.62 1sku h LEU 299 Ca -0.04 -0.51 -0.23 0.00 0.84 0.00 0.00 57.88 57.93 1sku h LEU 299 Cb 1.46 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 42.28 1sku h LEU 299 CO 0.13 1.17 -0.89 -0.07 -0.34 0.00 0.00 178.44 178.44 1sku h LEU 300 N 0.49 0.86 -1.07 2.25 3.38 -1.62 -3.03 115.31 116.57 1sku h LEU 300 Ca 0.03 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1sku h LEU 300 Cb 0.98 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1sku h LEU 300 CO 0.09 1.45 0.00 0.00 0.09 0.00 0.00 178.44 180.07 1sku h ALA 301 N 0.43 1.00 0.00 1.53 0.00 -1.61 -2.38 119.26 118.23 1sku h ALA 301 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1sku h ALA 301 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1sku h ALA 301 CO 0.18 0.00 -0.91 1.25 0.00 0.00 0.00 179.25 179.77 1sku h LEU 302 N 0.00 0.00 0.00 0.00 5.85 -1.53 -3.04 115.31 116.58 1sku h LEU 302 Ca 0.00 -0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.47 1sku h LEU 302 Cb 0.62 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1sku h LEU 302 CO 0.00 0.02 -2.13 0.52 -0.34 0.00 0.00 178.44 176.52 1sku n VAL 303 N -2.59 0.84 -0.11 1.05 0.31 -1.14 -3.48 118.33 113.21 1sku n VAL 303 Ca 0.01 -0.70 -0.15 0.00 -0.01 0.00 0.00 64.34 63.48 1sku n VAL 303 Cb 0.53 -0.32 -0.11 0.00 -0.91 0.00 0.00 33.84 33.03 1sku n VAL 303 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sku n LEU 304 N -2.58 2.46 -4.78 7.52 4.77 -0.91 -2.26 117.00 121.21 1sku n LEU 304 Ca -0.19 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.29 1sku n LEU 304 Cb 0.90 -0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1sku n LEU 304 CO 0.44 0.82 0.34 0.21 -1.33 0.00 0.00 177.39 177.87 1sku s ASN 305 N -6.09 7.11 0.06 -1.43 3.84 -1.15 -5.00 114.94 112.29 1sku s ASN 305 Ca -0.28 1.32 -0.18 0.00 0.21 0.00 0.00 52.86 53.94 1sku s ASN 305 Cb 0.08 -2.40 -0.15 0.00 -0.55 0.00 0.00 41.25 38.23 1sku s ASN 305 CO 0.58 0.18 1.31 -0.09 -2.79 0.00 0.00 177.10 176.28 1sku h ARG 306 N 4.95 0.53 -5.98 0.43 2.43 -1.90 -3.43 114.38 111.41 1sku h ARG 306 Ca -0.47 -0.35 -0.55 0.00 -0.81 0.00 0.00 59.98 57.80 1sku h ARG 306 Cb 1.21 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1sku h ARG 306 CO 0.67 0.96 -0.40 -0.51 -1.51 0.00 0.00 179.97 179.18 1sku s ASP 307 N -6.50 4.68 -0.41 -3.80 -0.00 -1.26 -3.62 116.67 105.76 1sku s ASP 307 Ca -0.13 -1.04 0.08 0.00 -0.00 0.00 0.00 52.55 51.46 1sku s ASP 307 Cb 0.06 -0.19 0.27 0.00 -0.00 0.00 0.00 42.92 43.06 1sku s ASP 307 CO 0.81 -0.77 0.57 -0.11 -0.00 0.00 0.00 175.17 175.67 1sku n LEU 308 N -1.51 0.59 -0.20 1.23 -0.00 -1.26 -4.97 117.00 110.88 1sku n LEU 308 Ca -0.00 -4.80 0.01 0.00 -0.00 0.00 0.00 56.01 51.22 1sku n LEU 308 Cb 0.64 0.54 0.11 0.00 -0.00 0.00 0.00 43.42 44.70 1sku n LEU 308 CO 0.42 2.10 0.87 0.58 -0.00 0.00 0.00 177.39 181.37 1sku h VAL 309 N 1.96 0.54 0.00 1.96 2.07 -2.00 -3.53 116.25 117.25 1sku h VAL 309 Ca 0.08 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1sku h VAL 309 Cb 0.87 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1sku h VAL 309 CO 0.50 0.03 0.00 -0.11 0.02 0.00 0.00 177.57 178.01