#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tug n ASN 2 N 0.00 3.59 0.32 0.00 0.23 0.26 -4.82 115.26 114.84 1tug n ASN 2 Ca 0.00 1.22 0.20 0.00 -0.53 0.00 0.00 54.58 55.47 1tug n ASN 2 Cb 0.00 -1.59 1.07 0.00 -2.08 0.00 0.00 39.78 37.18 1tug n ASN 2 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1tug h PRO 3 N 2.92 0.00 0.00 -0.53 0.11 -1.94 -1.39 132.00 131.17 1tug h PRO 3 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1tug h PRO 3 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1tug h PRO 3 CO 0.64 0.00 -1.07 1.28 -0.21 0.00 0.00 178.00 178.65 1tug n LEU 4 N -3.23 0.83 -4.66 2.35 4.77 -1.26 -4.88 117.00 110.93 1tug n LEU 4 Ca -0.02 -0.44 -0.61 0.00 -0.03 0.00 0.00 56.01 54.91 1tug n LEU 4 Cb 0.16 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 1tug n LEU 4 CO 0.21 0.21 1.34 0.00 -1.33 0.00 0.00 177.39 177.82 1tug n TYR 5 N -1.56 1.84 -1.69 -1.77 -0.00 -0.53 -0.99 117.16 112.47 1tug n TYR 5 Ca 0.03 0.75 -0.20 0.00 -0.00 0.00 0.00 57.90 58.47 1tug n TYR 5 Cb 0.34 -2.37 -0.08 0.00 -0.00 0.00 0.00 39.34 37.23 1tug n TYR 5 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1tug n GLN 6 N 5.35 -1.44 -2.82 2.98 6.02 -0.26 -4.98 117.38 122.23 1tug n GLN 6 Ca 0.32 1.19 -0.33 0.00 -0.01 0.00 0.00 57.00 58.17 1tug n GLN 6 Cb 0.05 -5.58 -0.07 0.00 1.02 0.00 0.00 30.24 25.67 1tug n GLN 6 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1tug s LYS 7 N -3.88 4.20 0.17 -1.09 1.02 -0.16 -4.74 119.74 115.26 1tug s LYS 7 Ca 0.00 1.08 -0.21 0.00 0.02 0.00 0.00 55.97 56.86 1tug s LYS 7 Cb 0.00 -2.20 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1tug s LYS 7 CO 0.00 -0.03 0.69 -1.01 -0.92 0.00 0.00 175.35 174.08 1tug s HIS 8 N -2.19 3.74 -0.34 3.18 3.76 -1.26 -4.70 115.29 117.48 1tug s HIS 8 Ca 0.61 1.40 -0.02 0.00 -0.15 0.00 0.00 55.06 56.90 1tug s HIS 8 Cb -0.09 -2.61 0.07 0.00 1.11 0.00 0.00 32.58 31.06 1tug s HIS 8 CO 0.14 0.44 0.07 0.42 -0.85 0.00 0.00 174.74 174.96 1tug s ILE 9 N -1.34 3.12 0.03 0.60 -1.09 -0.84 -4.91 121.20 116.77 1tug s ILE 9 Ca 0.38 -1.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.20 1tug s ILE 9 Cb -0.19 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1tug s ILE 9 CO 0.22 -0.30 0.00 -0.38 -1.23 0.00 0.00 174.94 173.24 1tug n ILE 10 N 4.62 0.34 -4.25 2.92 2.08 -1.26 -0.02 119.36 123.78 1tug n ILE 10 Ca -0.09 0.11 -0.19 0.00 0.56 0.00 0.00 62.75 63.14 1tug n ILE 10 Cb 0.43 -1.50 -0.13 0.00 -0.75 0.00 0.00 39.64 37.69 1tug n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1tug s SER 11 N -5.27 1.57 0.50 4.38 0.15 -1.26 -4.55 113.70 109.21 1tug s SER 11 Ca 0.00 -0.52 0.27 0.00 0.70 0.00 0.00 55.95 56.40 1tug s SER 11 Cb 0.00 -0.07 1.25 0.00 -1.71 0.00 0.00 66.02 65.49 1tug s SER 11 CO 0.00 -0.03 1.96 -0.29 1.20 0.00 0.00 173.24 176.08 1tug h ILE 12 N 4.43 0.47 0.00 6.45 6.09 -1.96 -2.50 117.51 130.49 1tug h ILE 12 Ca -0.39 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.33 1tug h ILE 12 Cb 1.19 1.54 0.00 0.00 0.47 0.00 0.00 36.82 40.02 1tug h ILE 12 CO 0.42 0.15 0.00 0.78 -3.07 0.00 0.00 178.15 176.43 1tug h ASN 13 N 0.00 0.00 -0.10 2.19 4.21 -1.97 -1.45 115.58 118.46 1tug h ASN 13 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1tug h ASN 13 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1tug h ASN 13 CO 0.02 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.63 1tug n ASP 14 N -2.43 0.94 -4.54 5.81 8.00 -0.94 -4.80 116.55 118.59 1tug n ASP 14 Ca 0.03 -1.60 -0.33 0.00 0.71 0.00 0.00 54.79 53.59 1tug n ASP 14 Cb 0.31 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.23 1tug n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1tug s LEU 15 N -1.55 3.02 0.46 0.64 1.43 -0.55 -5.06 118.68 117.07 1tug s LEU 15 Ca 0.29 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1tug s LEU 15 Cb 0.15 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1tug s LEU 15 CO 0.23 0.35 0.75 -0.94 0.23 0.00 0.00 176.35 176.97 1tug s SER 16 N -0.73 6.24 0.54 2.29 1.04 -1.26 -4.92 113.70 116.90 1tug s SER 16 Ca 0.11 0.83 0.24 0.00 0.48 0.00 0.00 55.95 57.61 1tug s SER 16 Cb -0.11 -2.18 1.52 0.00 0.10 0.00 0.00 66.02 65.35 1tug s SER 16 CO 0.01 -0.55 2.17 0.08 0.98 0.00 0.00 173.24 175.93 1tug h ARG 17 N 0.30 0.00 0.59 4.02 0.11 -1.96 0.16 114.38 117.61 1tug h ARG 17 Ca -0.47 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 1tug h ARG 17 Cb 1.21 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.30 1tug h ARG 17 CO 0.61 0.05 -0.29 -0.44 0.10 0.00 0.00 179.97 180.01 1tug h ASP 18 N 0.00 -0.68 -0.97 0.08 3.45 -1.96 -2.06 116.42 114.28 1tug h ASP 18 Ca -0.00 0.00 0.15 0.00 0.43 0.00 0.00 57.03 57.61 1tug h ASP 18 Cb 0.10 0.17 -0.09 0.00 -0.56 0.00 0.00 39.33 38.96 1tug h ASP 18 CO 0.01 -0.28 0.61 0.44 -1.57 0.00 0.00 179.24 178.45 1tug h ASP 19 N -1.19 0.80 -0.40 6.45 3.45 -1.77 -1.08 116.42 122.69 1tug h ASP 19 Ca -0.08 0.06 0.01 0.00 0.43 0.00 0.00 57.03 57.44 1tug h ASP 19 Cb 0.63 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 1tug h ASP 19 CO 0.13 0.39 0.25 -0.07 -1.57 0.00 0.00 179.24 178.37 1tug h LEU 20 N 0.84 0.43 -0.41 1.55 3.38 -0.72 -1.78 115.31 118.60 1tug h LEU 20 Ca 0.50 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.30 1tug h LEU 20 Cb 0.68 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1tug h LEU 20 CO -0.27 0.31 -0.46 0.78 0.09 0.00 0.00 178.44 178.89 1tug h ASN 21 N 0.52 0.90 -0.72 -0.43 4.21 -0.55 -1.65 115.58 117.87 1tug h ASN 21 Ca 0.15 -0.45 0.15 0.00 1.21 0.00 0.00 56.30 57.37 1tug h ASN 21 Cb -0.04 -0.26 -0.10 0.00 -1.12 0.00 0.00 38.32 36.80 1tug h ASN 21 CO -0.04 1.22 0.19 0.25 -1.29 0.00 0.00 177.43 177.76 1tug h LEU 22 N 0.66 0.05 -0.18 1.61 5.85 -0.99 0.33 115.31 122.64 1tug h LEU 22 Ca 0.04 0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1tug h LEU 22 Cb 1.05 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1tug h LEU 22 CO 0.10 -0.01 -0.11 0.58 -0.34 0.00 0.00 178.44 178.66 1tug h VAL 23 N 0.29 1.32 -0.04 1.05 2.07 -0.86 -2.36 116.25 117.72 1tug h VAL 23 Ca 0.40 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1tug h VAL 23 Cb 0.67 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1tug h VAL 23 CO -0.48 0.36 -0.04 -0.07 0.02 0.00 0.00 177.57 177.36 1tug h LEU 24 N 0.07 0.05 0.12 2.57 3.38 -0.68 -0.56 115.31 120.26 1tug h LEU 24 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1tug h LEU 24 Cb 0.61 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1tug h LEU 24 CO 0.03 0.11 -0.06 0.00 0.09 0.00 0.00 178.44 178.61 1tug h ALA 25 N 1.90 -0.16 -0.91 1.53 0.00 -0.03 -1.96 119.26 119.64 1tug h ALA 25 Ca 0.01 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 54.86 1tug h ALA 25 Cb 0.12 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1tug h ALA 25 CO 0.01 -0.25 0.47 1.15 0.00 0.00 0.00 179.25 180.63 1tug h THR 26 N -0.85 0.64 -0.63 0.00 2.02 -1.31 0.14 112.91 112.93 1tug h THR 26 Ca -0.02 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.02 1tug h THR 26 Cb 0.55 -0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1tug h THR 26 CO 0.03 0.11 0.33 0.00 0.37 0.00 0.00 175.52 176.36 1tug h ALA 27 N 1.63 0.83 -0.12 6.16 0.00 -1.06 0.18 119.26 126.88 1tug h ALA 27 Ca 0.53 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.34 1tug h ALA 27 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1tug h ALA 27 CO -0.42 -0.01 -0.48 0.00 0.00 0.00 0.00 179.25 178.34 1tug h ALA 28 N 1.34 0.97 -0.18 0.00 0.00 0.03 -1.62 119.26 119.80 1tug h ALA 28 Ca 0.29 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1tug h ALA 28 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1tug h ALA 28 CO -0.19 0.65 -0.08 0.87 0.00 0.00 0.00 179.25 180.50 1tug h LYS 29 N 0.24 0.37 -0.05 0.00 1.57 -0.31 -2.98 116.57 115.42 1tug h LYS 29 Ca 0.01 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1tug h LYS 29 Cb 0.93 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1tug h LYS 29 CO 0.08 0.67 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.29 1tug h LEU 30 N 0.06 0.08 -1.26 2.94 3.38 -0.57 0.48 115.31 120.43 1tug h LEU 30 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1tug h LEU 30 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1tug h LEU 30 CO 0.02 0.35 -0.19 0.50 0.09 0.00 0.00 178.44 179.21 1tug h LYS 31 N 0.07 0.26 0.01 1.13 3.64 -1.24 -3.20 116.57 117.24 1tug h LYS 31 Ca 0.01 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 59.00 1tug h LYS 31 Cb 0.51 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1tug h LYS 31 CO 0.04 0.46 -1.72 0.00 -2.27 0.00 0.00 179.45 175.95 1tug n ALA 32 N -2.48 0.93 -3.85 5.00 0.00 -0.80 -4.77 120.51 114.53 1tug n ALA 32 Ca -0.01 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 1tug n ALA 32 Cb 0.32 -0.34 -0.12 0.00 0.00 0.00 0.00 19.45 19.30 1tug n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1tug s ASN 33 N -7.06 4.31 0.36 0.00 0.01 0.16 -5.09 114.94 107.64 1tug s ASN 33 Ca -0.32 -3.48 -0.25 0.00 -0.71 0.00 0.00 52.86 48.10 1tug s ASN 33 Cb 0.09 -1.48 -0.12 0.00 0.41 0.00 0.00 41.25 40.14 1tug s ASN 33 CO 0.57 -0.14 0.91 -2.65 -1.51 0.00 0.00 177.10 174.28 1tug n PRO 34 N 2.45 1.17 -3.63 -0.60 -0.02 -1.21 -4.53 135.00 128.63 1tug n PRO 34 Ca 0.16 0.42 -0.27 0.00 -2.02 0.00 0.00 63.50 61.78 1tug n PRO 34 Cb 0.35 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 1tug n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1tug n GLN 35 N 0.47 2.09 0.00 -0.52 1.13 -1.26 -4.95 117.38 114.33 1tug n GLN 35 Ca 0.10 -4.50 0.06 0.00 -1.94 0.00 0.00 57.00 50.72 1tug n GLN 35 Cb 0.36 -2.22 0.37 0.00 0.11 0.00 0.00 30.24 28.86 1tug n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1tug n PRO 36 N 1.43 0.57 -0.25 -1.09 -0.04 -1.25 -1.92 135.00 132.44 1tug n PRO 36 Ca 0.25 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1tug n PRO 36 Cb 0.39 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1tug n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1tug n GLU 37 N -0.84 0.51 -0.11 0.54 1.02 -1.25 -3.36 120.64 117.14 1tug n GLU 37 Ca 0.09 -1.20 -0.10 0.00 -0.02 0.00 0.00 57.16 55.94 1tug n GLU 37 Cb 0.04 -0.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.70 1tug n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1tug h LEU 38 N 0.00 -1.39 -3.81 -4.62 5.85 -1.13 -3.02 115.31 107.20 1tug h LEU 38 Ca 0.00 0.21 -0.36 0.00 0.84 0.00 0.00 57.88 58.57 1tug h LEU 38 Cb 1.14 0.61 -0.22 0.00 0.37 0.00 0.00 40.66 42.56 1tug h LEU 38 CO 0.00 -0.37 0.41 0.18 -0.34 0.00 0.00 178.44 178.32 1tug n LEU 39 N -5.42 6.10 -4.51 2.25 4.77 0.18 -5.01 117.00 115.36 1tug n LEU 39 Ca -0.01 -3.50 -0.42 0.00 -0.03 0.00 0.00 56.01 52.06 1tug n LEU 39 Cb 0.35 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1tug n LEU 39 CO 0.05 0.99 0.28 0.29 -1.33 0.00 0.00 177.39 177.67 1tug n LYS 40 N -0.81 0.85 -0.25 3.23 5.02 -1.14 -2.34 118.16 122.71 1tug n LYS 40 Ca 0.49 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1tug n LYS 40 Cb 1.48 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 1tug n LYS 40 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1tug n HIS 41 N -0.63 0.00 -2.88 2.13 8.25 -1.26 -4.96 115.22 115.86 1tug n HIS 41 Ca 0.11 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.20 1tug n HIS 41 Cb 0.38 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.87 1tug n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1tug s LYS 42 N -0.16 4.50 -0.17 -0.41 1.02 -0.99 -4.98 119.74 118.56 1tug s LYS 42 Ca 0.00 1.20 0.01 0.00 0.02 0.00 0.00 55.97 57.20 1tug s LYS 42 Cb 0.00 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 1tug s LYS 42 CO 0.00 0.34 -0.20 0.08 -0.92 0.00 0.00 175.35 174.65 1tug s VAL 43 N -1.55 2.05 0.01 3.17 1.01 -1.26 -1.92 120.40 121.91 1tug s VAL 43 Ca 0.47 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1tug s VAL 43 Cb -0.19 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1tug s VAL 43 CO 0.23 0.54 0.03 -0.63 0.00 0.00 0.00 175.10 175.28 1tug s ILE 44 N 1.22 4.36 -0.06 2.22 1.01 -0.83 -0.95 121.20 128.16 1tug s ILE 44 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1tug s ILE 44 Cb -0.13 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1tug s ILE 44 CO -0.11 0.33 -0.02 0.00 0.00 0.00 0.00 174.94 175.13 1tug s ALA 45 N -1.16 3.18 -0.72 9.38 0.00 -0.68 -0.92 121.76 130.84 1tug s ALA 45 Ca 0.22 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1tug s ALA 45 Cb -0.12 -1.35 0.18 0.00 0.00 0.00 0.00 23.12 21.83 1tug s ALA 45 CO 0.13 0.60 0.53 0.45 0.00 0.00 0.00 175.76 177.47 1tug s SER 46 N -1.04 5.06 -1.25 0.00 0.15 0.28 -0.85 113.70 116.05 1tug s SER 46 Ca 0.15 -3.67 -0.11 0.00 0.70 0.00 0.00 55.95 53.02 1tug s SER 46 Cb -0.11 -1.71 0.17 0.00 -1.71 0.00 0.00 66.02 62.66 1tug s SER 46 CO 0.04 -0.14 1.72 0.00 1.20 0.00 0.00 173.24 176.06 1tug s PHE 48 N 0.71 2.53 -0.39 0.00 0.40 -0.88 -2.11 117.98 118.24 1tug s PHE 48 Ca 0.40 -0.93 0.26 0.00 -0.60 0.00 0.00 56.93 56.07 1tug s PHE 48 Cb 0.05 -4.65 1.01 0.00 0.51 0.00 0.00 43.02 39.94 1tug s PHE 48 CO 0.01 -1.86 1.78 0.74 0.70 0.00 0.00 175.22 176.58 1tug h PHE 49 N 9.24 0.00 -3.59 0.36 -1.00 -1.22 -2.08 116.94 118.65 1tug h PHE 49 Ca 0.27 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.37 1tug h PHE 49 Cb 0.97 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 40.23 1tug h PHE 49 CO 1.32 0.00 -0.84 0.00 -1.61 0.00 0.00 178.31 177.18 1tug s ALA 50 N -3.36 2.35 0.27 2.45 0.00 -1.14 -2.58 121.76 119.76 1tug s ALA 50 Ca 0.05 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 1tug s ALA 50 Cb 0.09 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 1tug s ALA 50 CO 0.47 0.34 0.77 0.00 0.00 0.00 0.00 175.76 177.34 1tug s ALA 51 N 0.10 3.34 -0.49 0.00 0.00 -1.26 -4.54 121.76 118.90 1tug s ALA 51 Ca -0.09 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1tug s ALA 51 Cb -0.15 -2.88 0.19 0.00 0.00 0.00 0.00 23.12 20.28 1tug s ALA 51 CO 0.06 0.30 0.74 0.45 0.00 0.00 0.00 175.76 177.30 1tug s SER 52 N -1.84 -1.39 0.35 0.00 0.15 -1.26 -4.98 113.70 104.73 1tug s SER 52 Ca 0.48 -1.47 0.16 0.00 0.70 0.00 0.00 55.95 55.83 1tug s SER 52 Cb -0.15 1.81 1.19 0.00 -1.71 0.00 0.00 66.02 67.16 1tug s SER 52 CO 0.20 -0.07 1.61 0.00 1.20 0.00 0.00 173.24 176.18 1tug h THR 53 N 4.85 0.11 -0.11 6.45 1.03 -1.97 0.39 112.91 123.67 1tug h THR 53 Ca 0.05 -0.04 -0.19 0.00 -0.01 0.00 0.00 66.41 66.23 1tug h THR 53 Cb 1.13 -0.01 0.01 0.00 -1.07 0.00 0.00 68.15 68.21 1tug h THR 53 CO 0.02 0.02 -0.67 -0.09 -0.01 0.00 0.00 175.52 174.79 1tug h ARG 54 N 0.11 0.64 -0.06 0.00 2.43 -2.00 -2.83 114.38 112.67 1tug h ARG 54 Ca 0.78 -0.55 -0.14 0.00 -0.81 0.00 0.00 59.98 59.26 1tug h ARG 54 Cb 1.93 0.12 0.01 0.00 -0.42 0.00 0.00 29.97 31.61 1tug h ARG 54 CO -0.73 1.16 -0.51 1.15 -1.51 0.00 0.00 179.97 179.53 1tug h THR 55 N 0.29 1.39 -0.27 0.20 2.02 -1.81 -2.82 112.91 111.91 1tug h THR 55 Ca -0.05 -1.90 0.06 0.00 0.77 0.00 0.00 66.41 65.28 1tug h THR 55 Cb 1.31 2.35 -0.06 0.00 -1.74 0.00 0.00 68.15 70.01 1tug h THR 55 CO 0.14 0.56 -0.09 -0.09 0.37 0.00 0.00 175.52 176.41 1tug h ARG 56 N 0.01 -0.03 -0.48 6.66 2.43 -0.30 -2.26 114.38 120.41 1tug h ARG 56 Ca -0.05 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1tug h ARG 56 Cb 1.18 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1tug h ARG 56 CO 0.10 -0.02 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.27 1tug h LEU 57 N -0.03 1.00 -0.10 3.80 3.38 -1.59 -2.03 115.31 119.74 1tug h LEU 57 Ca 0.14 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1tug h LEU 57 Cb 0.23 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1tug h LEU 57 CO -0.30 1.16 -0.31 -1.28 0.09 0.00 0.00 178.44 177.81 1tug h SER 58 N 0.85 -0.95 -0.11 -0.43 0.87 -1.21 -0.05 113.55 112.52 1tug h SER 58 Ca 0.11 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1tug h SER 58 Cb 0.78 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1tug h SER 58 CO 0.06 -0.35 0.02 -0.26 -0.53 0.00 0.00 176.83 175.77 1tug h PHE 59 N -0.40 0.04 -0.56 2.24 -1.00 -1.40 0.36 116.94 116.22 1tug h PHE 59 Ca 0.09 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.81 1tug h PHE 59 Cb 0.53 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 1tug h PHE 59 CO -0.38 0.02 0.09 0.93 -1.61 0.00 0.00 178.31 177.35 1tug h GLU 60 N 0.07 0.93 -0.10 1.51 5.08 -1.24 0.79 114.58 121.62 1tug h GLU 60 Ca 0.05 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1tug h GLU 60 Cb 0.04 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1tug h GLU 60 CO -0.06 0.89 0.05 1.15 -1.00 0.00 0.00 179.01 180.04 1tug h THR 61 N 0.82 1.10 -0.77 1.13 2.02 -0.91 0.15 112.91 116.45 1tug h THR 61 Ca 0.17 -0.29 0.16 0.00 0.77 0.00 0.00 66.41 67.22 1tug h THR 61 Cb 0.42 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.83 1tug h THR 61 CO 0.01 0.09 0.27 0.28 0.37 0.00 0.00 175.52 176.54 1tug h SER 62 N 0.06 0.20 0.29 4.18 0.02 -0.51 0.17 113.55 117.96 1tug h SER 62 Ca 0.04 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1tug h SER 62 Cb 0.10 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1tug h SER 62 CO -0.01 0.04 -0.22 0.24 -1.14 0.00 0.00 176.83 175.75 1tug h MET 63 N 0.38 -0.50 -0.10 3.45 2.07 0.14 -2.97 114.93 117.40 1tug h MET 63 Ca 0.43 0.03 -0.06 0.00 -2.07 0.00 0.00 59.70 58.04 1tug h MET 63 Cb 0.71 0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1tug h MET 63 CO -0.45 -0.33 -0.21 0.45 1.07 0.00 0.00 176.91 177.44 1tug h HIS 64 N -0.52 0.18 0.00 -0.22 3.86 -0.16 -2.23 115.15 116.06 1tug h HIS 64 Ca -0.02 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1tug h HIS 64 Cb 0.45 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 1tug h HIS 64 CO -0.13 0.37 -0.14 0.00 0.86 0.00 0.00 177.93 178.89 1tug h ARG 65 N 0.16 0.00 -0.04 2.45 2.47 -0.53 -1.75 114.38 117.15 1tug h ARG 65 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1tug h ARG 65 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1tug h ARG 65 CO 0.03 0.14 0.00 1.28 0.56 0.00 0.00 179.97 181.98 1tug n LEU 66 N -3.45 2.71 0.00 3.04 4.77 -1.08 -3.94 117.00 119.06 1tug n LEU 66 Ca -0.01 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1tug n LEU 66 Cb 0.31 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1tug n LEU 66 CO 0.30 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1tug n GLY 67 N 1.15 0.71 3.86 -0.72 0.00 -0.66 0.47 105.19 110.00 1tug n GLY 67 Ca 0.12 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1tug n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tug s ALA 68 N -2.00 3.15 0.53 4.61 0.00 -0.86 -3.89 121.76 123.30 1tug s ALA 68 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1tug s ALA 68 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1tug s ALA 68 CO 0.00 -0.26 0.81 -1.12 0.00 0.00 0.00 175.76 175.19 1tug s SER 69 N -3.30 5.71 -0.04 0.00 0.01 -0.81 -4.27 113.70 111.00 1tug s SER 69 Ca 0.56 0.56 0.01 0.00 1.31 0.00 0.00 55.95 58.39 1tug s SER 69 Cb -0.10 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.49 1tug s SER 69 CO 0.35 -0.91 -0.06 -0.69 0.41 0.00 0.00 173.24 172.34 1tug s VAL 70 N -2.82 0.66 0.12 3.43 1.01 -1.26 -1.97 120.40 119.57 1tug s VAL 70 Ca 0.52 -0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.39 1tug s VAL 70 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1tug s VAL 70 CO 0.42 0.24 -0.25 0.68 0.00 0.00 0.00 175.10 176.20 1tug s VAL 71 N 0.75 2.07 -1.87 2.92 -7.23 -0.09 -4.97 120.40 111.98 1tug s VAL 71 Ca -0.11 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1tug s VAL 71 Cb -0.14 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1tug s VAL 71 CO 0.01 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 1tug n GLY 72 N 0.95 -1.19 3.39 2.32 0.00 -1.26 -0.56 105.19 108.84 1tug n GLY 72 Ca -0.18 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1tug n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tug s PHE 73 N -3.00 0.14 -0.01 1.61 -0.12 -0.99 -4.95 117.98 110.65 1tug s PHE 73 Ca 0.00 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 56.40 1tug s PHE 73 Cb 0.00 0.13 -0.00 0.00 -0.63 0.00 0.00 43.02 42.52 1tug s PHE 73 CO 0.00 -0.77 -0.08 -1.54 -0.05 0.00 0.00 175.22 172.78 1tug s SER 74 N -2.91 0.94 -0.27 1.98 1.04 -1.26 -2.08 113.70 111.14 1tug s SER 74 Ca 0.12 -0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 1tug s SER 74 Cb 0.02 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1tug s SER 74 CO -0.03 0.08 0.09 -0.67 0.98 0.00 0.00 173.24 173.69 1tug n ASP 75 N 3.05 -5.23 -3.83 7.02 2.03 -0.78 -4.88 116.55 113.93 1tug n ASP 75 Ca -0.15 1.41 -0.42 0.00 0.52 0.00 0.00 54.79 56.15 1tug n ASP 75 Cb 0.56 -5.33 0.00 0.00 -0.72 0.00 0.00 41.12 35.64 1tug n ASP 75 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1tug n SER 76 N 1.07 5.53 0.21 1.67 7.64 -1.06 -4.78 113.62 123.90 1tug n SER 76 Ca -0.16 -3.14 0.14 0.00 1.01 0.00 0.00 58.87 56.72 1tug n SER 76 Cb 0.24 -1.45 0.76 0.00 -1.01 0.00 0.00 64.21 62.75 1tug n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tug h ALA 77 N 5.57 1.94 0.00 -0.43 0.00 -1.90 -3.37 119.26 121.08 1tug h ALA 77 Ca 0.41 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 1tug h ALA 77 Cb 0.59 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1tug h ALA 77 CO 1.59 -0.20 -0.17 -1.71 0.00 0.00 0.00 179.25 178.76 1tug n ASN 78 N -4.16 -1.26 -4.71 0.00 5.15 -1.26 -5.01 115.26 104.00 1tug n ASN 78 Ca 0.01 -1.97 -0.39 0.00 -0.60 0.00 0.00 54.58 51.62 1tug n ASN 78 Cb 0.24 0.70 -0.05 0.00 -0.53 0.00 0.00 39.78 40.14 1tug n ASN 78 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1tug s THR 79 N 0.11 5.06 0.57 -0.44 2.01 -1.26 -4.68 115.64 117.01 1tug s THR 79 Ca 0.10 1.32 0.39 0.00 0.31 0.00 0.00 61.69 63.82 1tug s THR 79 Cb 0.29 -3.99 0.58 0.00 0.01 0.00 0.00 72.50 69.39 1tug s THR 79 CO -0.08 0.23 1.57 0.28 -0.69 0.00 0.00 174.62 175.94 1tug h SER 80 N 6.88 0.00 1.18 3.53 0.02 -1.98 0.13 113.55 123.31 1tug h SER 80 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1tug h SER 80 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1tug h SER 80 CO 0.76 0.00 -0.06 0.18 -1.14 0.00 0.00 176.83 176.57 1tug n LEU 81 N -3.77 0.42 -0.05 5.07 4.77 -1.26 -2.61 117.00 119.57 1tug n LEU 81 Ca 0.32 0.49 -0.09 0.00 -0.03 0.00 0.00 56.01 56.70 1tug n LEU 81 Cb 1.62 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 42.28 1tug n LEU 81 CO 0.37 -0.08 -0.81 0.61 -1.33 0.00 0.00 177.39 176.15 1tug n GLY 82 N 1.41 -0.14 0.00 -0.72 0.00 0.32 -3.88 105.19 102.18 1tug n GLY 82 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1tug n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tug n LYS 83 N -3.23 0.46 -0.09 1.61 4.81 -0.37 -4.73 118.16 116.62 1tug n LYS 83 Ca -0.18 -0.61 -0.10 0.00 -0.87 0.00 0.00 58.31 56.55 1tug n LYS 83 Cb 0.64 -0.76 -0.04 0.00 0.02 0.00 0.00 35.03 34.90 1tug n LYS 83 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1tug n LYS 84 N -0.12 0.50 0.00 1.64 0.00 -1.07 -4.81 118.16 114.30 1tug n LYS 84 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1tug n LYS 84 Cb 0.24 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 33.69 1tug n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tug n GLY 85 N 1.51 0.00 3.76 3.14 0.00 -1.22 -5.12 105.19 107.26 1tug n GLY 85 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1tug n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tug s GLU 86 N -0.57 4.72 0.70 1.61 2.12 -1.13 -5.02 118.70 121.12 1tug s GLU 86 Ca 0.00 1.54 -0.14 0.00 0.36 0.00 0.00 54.97 56.73 1tug s GLU 86 Cb 0.00 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.27 1tug s GLU 86 CO 0.00 0.36 1.13 0.95 -0.54 0.00 0.00 175.26 177.16 1tug s THR 87 N -1.27 3.00 0.23 -1.70 -4.23 -1.26 -4.06 115.64 106.34 1tug s THR 87 Ca 0.44 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 61.37 1tug s THR 87 Cb -0.26 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.69 1tug s THR 87 CO 0.33 -0.30 1.68 0.25 -0.54 0.00 0.00 174.62 176.04 1tug h LEU 88 N -0.23 0.80 -0.85 4.79 5.85 -1.91 -2.85 115.31 120.91 1tug h LEU 88 Ca -0.46 -0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.17 1tug h LEU 88 Cb 1.26 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 1tug h LEU 88 CO 0.52 0.93 0.42 0.00 -0.34 0.00 0.00 178.44 179.97 1tug h ALA 89 N 1.14 1.28 0.10 1.25 0.00 -1.92 0.54 119.26 121.64 1tug h ALA 89 Ca 0.12 0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 1tug h ALA 89 Cb 0.61 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1tug h ALA 89 CO 0.04 -0.13 -1.18 -0.44 0.00 0.00 0.00 179.25 177.54 1tug h ASP 90 N 0.58 0.72 -0.13 0.00 3.32 -1.92 0.27 116.42 119.27 1tug h ASP 90 Ca 0.47 -0.66 0.05 0.00 0.02 0.00 0.00 57.03 56.91 1tug h ASP 90 Cb 0.70 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1tug h ASP 90 CO -0.38 1.48 -0.26 0.74 -1.72 0.00 0.00 179.24 179.09 1tug h THR 91 N 0.23 0.38 -0.50 0.35 2.02 -1.23 0.23 112.91 114.39 1tug h THR 91 Ca -0.15 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 1tug h THR 91 Cb 1.85 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 1tug h THR 91 CO 0.22 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 176.43 1tug h ILE 92 N -0.33 1.27 -0.99 3.11 1.08 -0.83 0.58 117.51 121.39 1tug h ILE 92 Ca 0.10 -1.20 0.19 0.00 -0.39 0.00 0.00 64.86 63.56 1tug h ILE 92 Cb 0.48 1.02 -0.11 0.00 -3.07 0.00 0.00 36.82 35.14 1tug h ILE 92 CO -0.32 0.42 0.59 0.28 -0.69 0.00 0.00 178.15 178.43 1tug h SER 93 N 0.80 0.75 0.01 1.72 0.02 -0.16 0.11 113.55 116.80 1tug h SER 93 Ca 0.13 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1tug h SER 93 Cb 0.62 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1tug h SER 93 CO 0.04 0.26 -0.01 0.58 -1.14 0.00 0.00 176.83 176.56 1tug h VAL 94 N 0.74 0.90 0.00 2.27 2.07 0.14 -3.35 116.25 119.03 1tug h VAL 94 Ca 0.57 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1tug h VAL 94 Cb 0.89 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1tug h VAL 94 CO -0.39 0.30 -0.04 0.40 0.02 0.00 0.00 177.57 177.86 1tug h ILE 95 N -0.99 0.32 0.00 4.57 2.04 0.35 -0.81 117.51 122.99 1tug h ILE 95 Ca -0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1tug h ILE 95 Cb 0.51 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1tug h ILE 95 CO 0.00 0.04 0.00 -1.54 0.00 0.00 0.00 178.15 176.65 1tug n SER 96 N -3.46 0.00 -0.76 1.72 3.41 0.36 -1.74 113.62 113.16 1tug n SER 96 Ca -0.02 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1tug n SER 96 Cb 0.16 -0.40 0.18 0.00 -0.26 0.00 0.00 64.21 63.89 1tug n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1tug n THR 97 N -1.40 0.00 -0.07 6.66 -2.24 -0.31 -4.39 114.28 112.53 1tug n THR 97 Ca 0.04 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1tug n THR 97 Cb 0.12 1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 1tug n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1tug n TYR 98 N 0.80 0.00 -4.61 4.78 4.01 -0.71 -5.08 117.16 116.35 1tug n TYR 98 Ca 0.14 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.61 1tug n TYR 98 Cb 0.52 -0.59 -0.10 0.00 -0.31 0.00 0.00 39.34 38.86 1tug n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1tug s VAL 99 N -2.30 1.48 -0.60 -0.72 -7.23 -1.09 -4.96 120.40 104.98 1tug s VAL 99 Ca -0.15 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.24 1tug s VAL 99 Cb 0.05 -2.69 -0.24 0.00 0.56 0.00 0.00 36.38 34.06 1tug s VAL 99 CO 0.41 0.00 0.79 0.47 -0.31 0.00 0.00 175.10 176.46 1tug n ASP 100 N -1.01 0.58 -3.47 4.85 8.00 -0.12 -4.89 116.55 120.48 1tug n ASP 100 Ca -0.08 -0.49 -0.11 0.00 0.71 0.00 0.00 54.79 54.81 1tug n ASP 100 Cb 0.67 1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 43.02 1tug n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tug s ALA 101 N -3.21 -1.71 -0.05 2.24 0.00 -1.24 -4.25 121.76 113.54 1tug s ALA 101 Ca 0.02 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1tug s ALA 101 Cb 0.15 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1tug s ALA 101 CO 0.87 -0.67 -0.09 0.42 0.00 0.00 0.00 175.76 176.29 1tug s ILE 102 N -3.10 0.84 -0.22 0.00 1.01 -0.19 -1.68 121.20 117.85 1tug s ILE 102 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1tug s ILE 102 Cb -0.01 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1tug s ILE 102 CO -0.08 0.28 -0.02 -0.69 0.00 0.00 0.00 174.94 174.43 1tug s VAL 103 N 0.62 3.58 0.02 2.92 1.01 -0.03 0.65 120.40 129.18 1tug s VAL 103 Ca -0.11 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1tug s VAL 103 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1tug s VAL 103 CO 0.02 0.42 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 1tug s MET 104 N 1.36 0.60 -0.04 2.72 0.23 -0.63 -0.63 119.30 122.91 1tug s MET 104 Ca 0.04 -0.56 0.04 0.00 -1.03 0.00 0.00 55.69 54.19 1tug s MET 104 Cb -0.14 -0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 32.62 1tug s MET 104 CO -0.01 0.12 -0.14 0.50 -2.03 0.00 0.00 175.02 173.46 1tug s ARG 105 N -0.95 2.47 -0.08 3.16 3.52 -0.90 -1.84 118.95 124.33 1tug s ARG 105 Ca -0.03 -0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 54.73 1tug s ARG 105 Cb -0.07 -2.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1tug s ARG 105 CO 0.00 0.62 0.32 -1.58 -0.81 0.00 0.00 175.30 173.85 1tug s HIS 106 N -0.77 -0.29 0.33 5.12 2.46 -0.58 -0.74 115.29 120.82 1tug s HIS 106 Ca 0.12 0.64 0.36 0.00 0.47 0.00 0.00 55.06 56.65 1tug s HIS 106 Cb -0.11 0.11 1.70 0.00 -0.13 0.00 0.00 32.58 34.15 1tug s HIS 106 CO 0.02 -0.25 2.12 -1.00 -2.47 0.00 0.00 174.74 173.15 1tug h PRO 107 N 4.98 0.00 -5.82 2.88 0.13 -1.87 -0.66 132.00 131.64 1tug h PRO 107 Ca -0.28 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 1tug h PRO 107 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1tug h PRO 107 CO 0.34 0.03 -0.40 -0.65 -0.23 0.00 0.00 178.00 177.08 1tug s GLN 108 N -3.89 3.57 0.49 0.86 1.11 -1.26 -3.69 119.66 116.84 1tug s GLN 108 Ca -0.01 -0.04 -0.22 0.00 0.01 0.00 0.00 55.36 55.10 1tug s GLN 108 Cb 0.11 -3.14 -0.07 0.00 -1.01 0.00 0.00 33.01 28.90 1tug s GLN 108 CO 0.51 0.70 1.17 -1.21 0.01 0.00 0.00 175.29 176.47 1tug s GLU 109 N -1.42 3.59 0.00 2.91 8.01 -1.24 -3.11 118.70 127.44 1tug s GLU 109 Ca 0.23 1.76 0.00 0.00 0.01 0.00 0.00 54.97 56.96 1tug s GLU 109 Cb -0.13 -2.27 0.00 0.00 -4.31 0.00 0.00 34.13 27.41 1tug s GLU 109 CO 0.12 -0.69 0.00 0.41 0.01 0.00 0.00 175.26 175.11 1tug n GLY 110 N 0.39 0.61 0.21 -1.39 0.00 -1.26 -4.93 105.19 98.82 1tug n GLY 110 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1tug n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tug h ALA 111 N 0.00 0.37 -0.61 4.61 0.00 -1.88 -1.31 119.26 120.45 1tug h ALA 111 Ca 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1tug h ALA 111 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1tug h ALA 111 CO 0.00 0.70 0.21 0.00 0.00 0.00 0.00 179.25 180.16 1tug h ALA 112 N 0.64 0.80 -0.42 0.00 0.00 -1.92 -2.44 119.26 115.92 1tug h ALA 112 Ca -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1tug h ALA 112 Cb 1.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1tug h ALA 112 CO 0.15 0.45 0.04 -0.09 0.00 0.00 0.00 179.25 179.80 1tug h ARG 113 N 0.86 0.71 -0.22 0.00 2.43 -1.93 -2.66 114.38 113.58 1tug h ARG 113 Ca 0.20 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1tug h ARG 113 Cb 0.26 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1tug h ARG 113 CO -0.01 0.77 -0.14 1.25 -1.51 0.00 0.00 179.97 180.33 1tug h LEU 114 N 0.55 -0.46 -0.92 3.80 6.46 -1.13 -2.87 115.31 120.75 1tug h LEU 114 Ca 0.12 0.10 0.18 0.00 -0.12 0.00 0.00 57.88 58.17 1tug h LEU 114 Cb 0.42 0.24 -0.17 0.00 -0.73 0.00 0.00 40.66 40.42 1tug h LEU 114 CO 0.01 -0.18 -0.22 0.00 -0.62 0.00 0.00 178.44 177.43 1tug h ALA 115 N 1.02 0.62 -1.22 1.25 0.00 -1.09 0.32 119.26 120.15 1tug h ALA 115 Ca 0.12 0.36 0.35 0.00 0.00 0.00 0.00 54.91 55.74 1tug h ALA 115 Cb 0.32 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1tug h ALA 115 CO -0.30 -0.39 1.04 1.15 0.00 0.00 0.00 179.25 180.75 1tug h THR 116 N 0.00 0.18 -0.01 0.00 2.02 -1.30 0.78 112.91 114.58 1tug h THR 116 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.62 1tug h THR 116 Cb 0.68 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1tug h THR 116 CO -0.94 0.00 -0.35 -0.62 0.37 0.00 0.00 175.52 173.98 1tug n GLU 117 N -3.76 0.67 0.00 6.66 1.02 0.11 -4.05 120.64 121.30 1tug n GLU 117 Ca 0.27 -0.42 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1tug n GLU 117 Cb 1.43 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 1tug n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tug n PHE 118 N -0.80 0.00 0.92 -0.32 3.01 0.26 -4.76 117.46 115.77 1tug n PHE 118 Ca 0.10 -0.11 0.12 0.00 1.01 0.00 0.00 57.45 58.57 1tug n PHE 118 Cb 0.35 -0.01 0.14 0.00 -0.01 0.00 0.00 39.48 39.95 1tug n PHE 118 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1tug n SER 119 N -0.11 2.99 0.00 4.37 3.41 -0.47 -3.80 113.62 120.01 1tug n SER 119 Ca 0.00 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1tug n SER 119 Cb 0.13 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1tug n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tug n GLY 120 N 1.36 3.12 0.27 5.00 0.00 -1.26 -1.68 105.19 112.00 1tug n GLY 120 Ca 0.15 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.27 1tug n GLY 120 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1tug h ASN 121 N 0.00 0.32 -2.95 1.61 -1.07 -1.96 -3.44 115.58 108.09 1tug h ASN 121 Ca 0.00 -0.04 -0.57 0.00 0.07 0.00 0.00 56.30 55.77 1tug h ASN 121 Cb 0.00 -0.08 -0.04 0.00 -2.07 0.00 0.00 38.32 36.13 1tug h ASN 121 CO 0.00 0.35 1.03 -0.69 0.07 0.00 0.00 177.43 178.18 1tug s VAL 122 N -5.05 3.97 0.39 6.14 1.01 -0.68 -5.00 120.40 121.18 1tug s VAL 122 Ca -0.07 1.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 1tug s VAL 122 Cb 0.16 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1tug s VAL 122 CO 0.73 -0.34 1.24 -2.84 0.00 0.00 0.00 175.10 173.89 1tug s PRO 123 N 4.26 4.05 -0.08 2.72 0.02 -1.26 -4.80 135.00 139.92 1tug s PRO 123 Ca 0.62 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.71 1tug s PRO 123 Cb -0.21 -2.76 -0.01 0.00 0.02 0.00 0.00 34.50 31.53 1tug s PRO 123 CO 0.25 -0.38 -0.20 0.54 -0.33 0.00 0.00 177.00 176.88 1tug s VAL 124 N -1.30 2.51 -0.11 3.83 0.11 -1.26 -1.02 120.40 123.15 1tug s VAL 124 Ca 0.56 -0.89 -0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1tug s VAL 124 Cb -0.35 -1.97 -0.02 0.00 -1.53 0.00 0.00 36.38 32.51 1tug s VAL 124 CO 0.45 0.56 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.94 1tug s LEU 125 N -0.13 3.02 -0.30 2.54 1.02 0.21 -1.98 118.68 123.06 1tug s LEU 125 Ca -0.03 -0.16 -0.20 0.00 0.02 0.00 0.00 54.13 53.76 1tug s LEU 125 Cb -0.14 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1tug s LEU 125 CO 0.04 0.25 0.61 0.21 0.02 0.00 0.00 176.35 177.48 1tug s ASN 126 N -0.14 6.48 -0.03 2.29 2.47 0.97 -1.61 114.94 125.37 1tug s ASN 126 Ca 0.01 0.41 0.17 0.00 0.42 0.00 0.00 52.86 53.87 1tug s ASN 126 Cb -0.13 -2.32 0.51 0.00 -1.45 0.00 0.00 41.25 37.86 1tug s ASN 126 CO 0.03 -0.46 1.43 0.00 -3.72 0.00 0.00 177.10 174.38 1tug n ALA 127 N 5.83 2.43 0.00 1.71 0.00 -0.77 -4.14 120.51 125.58 1tug n ALA 127 Ca -0.02 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.08 1tug n ALA 127 Cb 0.49 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1tug n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tug n GLY 128 N 0.97 4.19 2.71 0.00 0.00 -1.26 -4.74 105.19 107.05 1tug n GLY 128 Ca 0.19 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1tug n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tug s ASP 129 N 0.00 3.69 0.96 1.61 -4.77 -0.79 -1.53 116.67 115.84 1tug s ASP 129 Ca 0.00 -2.44 0.00 0.00 -3.30 0.00 0.00 52.55 46.81 1tug s ASP 129 Cb 0.00 -0.98 0.00 0.00 -1.09 0.00 0.00 42.92 40.85 1tug s ASP 129 CO 0.00 -0.29 0.00 0.61 0.70 0.00 0.00 175.17 176.19 1tug n GLY 130 N 3.78 2.82 0.56 2.12 0.00 -0.25 -2.12 105.19 112.10 1tug n GLY 130 Ca 0.07 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.84 1tug n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tug n SER 131 N 1.14 1.63 0.00 1.61 3.41 -1.26 -4.66 113.62 115.48 1tug n SER 131 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1tug n SER 131 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1tug n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tug n ASN 132 N 0.39 0.00 -4.58 4.04 4.05 -0.90 -4.76 115.26 113.49 1tug n ASN 132 Ca 0.10 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.89 1tug n ASN 132 Cb 0.26 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.18 1tug n ASN 132 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1tug s GLN 133 N 0.00 2.09 -0.46 1.20 -1.52 -1.26 -4.98 119.66 114.74 1tug s GLN 133 Ca 0.00 -1.44 0.06 0.00 -1.95 0.00 0.00 55.36 52.03 1tug s GLN 133 Cb 0.00 -2.08 0.30 0.00 -0.22 0.00 0.00 33.01 31.01 1tug s GLN 133 CO 0.00 0.38 1.09 1.58 -0.25 0.00 0.00 175.29 178.09 1tug n HIS 134 N -0.53 -2.80 -0.16 0.91 -0.00 -1.26 -1.89 115.22 109.48 1tug n HIS 134 Ca -0.08 -1.95 -0.03 0.00 -0.00 0.00 0.00 57.72 55.66 1tug n HIS 134 Cb 0.58 1.59 0.06 0.00 -0.00 0.00 0.00 29.99 32.22 1tug n HIS 134 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1tug h PRO 135 N 3.16 0.36 -0.76 1.57 0.11 -1.80 -1.81 132.00 132.83 1tug h PRO 135 Ca -0.13 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.08 1tug h PRO 135 Cb 1.09 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 1tug h PRO 135 CO 0.16 0.24 0.50 1.79 -0.21 0.00 0.00 178.00 180.48 1tug h THR 136 N 0.37 0.87 -0.04 -1.15 1.35 -1.97 0.21 112.91 112.55 1tug h THR 136 Ca 0.24 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1tug h THR 136 Cb 0.24 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 66.92 1tug h THR 136 CO -0.23 0.10 0.00 -0.61 -0.25 0.00 0.00 175.52 174.53 1tug h GLN 137 N 0.56 0.06 -0.57 4.72 5.75 -1.70 -1.93 115.11 122.00 1tug h GLN 137 Ca 0.36 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 1tug h GLN 137 Cb 0.64 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 1tug h GLN 137 CO -0.13 0.32 0.25 1.15 -2.65 0.00 0.00 178.83 177.77 1tug h THR 138 N -0.20 1.22 -0.13 2.39 2.02 -1.17 -0.40 112.91 116.63 1tug h THR 138 Ca 0.01 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1tug h THR 138 Cb 0.29 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1tug h THR 138 CO 0.00 0.26 0.01 -0.07 0.37 0.00 0.00 175.52 176.09 1tug h LEU 139 N 0.78 0.16 -0.53 2.58 3.38 -0.60 -0.22 115.31 120.87 1tug h LEU 139 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1tug h LEU 139 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1tug h LEU 139 CO -0.02 0.19 0.28 0.25 0.09 0.00 0.00 178.44 179.23 1tug h LEU 140 N 0.18 0.67 -0.19 1.67 6.46 -0.58 -2.29 115.31 121.23 1tug h LEU 140 Ca 0.05 -0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.59 1tug h LEU 140 Cb 0.11 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1tug h LEU 140 CO 0.00 0.58 -0.32 0.44 -0.62 0.00 0.00 178.44 178.53 1tug h ASP 141 N 0.70 0.61 0.22 1.25 3.32 -0.07 -3.03 116.42 119.41 1tug h ASP 141 Ca 0.18 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1tug h ASP 141 Cb 0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1tug h ASP 141 CO -0.03 1.02 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.34 1tug h LEU 142 N 0.21 -0.25 -0.97 1.55 3.38 -1.06 -1.03 115.31 117.15 1tug h LEU 142 Ca 0.01 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.18 1tug h LEU 142 Cb 0.90 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 1tug h LEU 142 CO 0.07 -0.18 0.56 0.15 0.09 0.00 0.00 178.44 179.14 1tug h PHE 143 N -0.30 0.97 -0.20 1.13 3.04 -1.50 0.18 116.94 120.27 1tug h PHE 143 Ca -0.03 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 1tug h PHE 143 Cb 0.23 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.45 1tug h PHE 143 CO -0.06 0.18 -0.20 1.15 -2.02 0.00 0.00 178.31 177.36 1tug h THR 144 N 0.69 1.33 -0.07 4.41 2.02 -1.38 0.20 112.91 120.10 1tug h THR 144 Ca 0.56 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1tug h THR 144 Cb 0.91 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1tug h THR 144 CO -0.40 0.41 0.05 0.40 0.37 0.00 0.00 175.52 176.35 1tug h ILE 145 N 0.15 1.01 0.00 3.11 2.04 0.38 0.50 117.51 124.70 1tug h ILE 145 Ca 0.03 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1tug h ILE 145 Cb 0.75 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1tug h ILE 145 CO 0.05 0.02 -0.34 0.06 0.00 0.00 0.00 178.15 177.94 1tug h GLN 146 N 0.09 0.00 0.00 2.37 3.07 -0.76 0.11 115.11 119.99 1tug h GLN 146 Ca 0.03 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.64 1tug h GLN 146 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 1tug h GLN 146 CO -0.01 0.34 -0.60 1.49 0.09 0.00 0.00 178.83 180.14 1tug h GLU 147 N 0.00 0.00 0.00 0.06 4.81 0.48 -2.16 114.58 117.76 1tug h GLU 147 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1tug h GLU 147 Cb 0.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1tug h GLU 147 CO 0.04 0.60 -1.54 0.25 -0.73 0.00 0.00 179.01 177.64 1tug n THR 148 N -3.47 0.46 0.29 0.32 -2.24 0.06 -4.43 114.28 105.27 1tug n THR 148 Ca 0.00 -0.56 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 1tug n THR 148 Cb 0.69 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1tug n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tug n GLN 149 N -2.53 4.62 -0.47 -0.78 3.00 0.36 -5.01 117.38 116.57 1tug n GLN 149 Ca -0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1tug n GLN 149 Cb 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 30.24 30.04 1tug n GLN 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tug n GLY 150 N 1.20 1.83 3.52 1.08 0.00 -0.81 -4.98 105.19 107.04 1tug n GLY 150 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1tug n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tug s ARG 151 N -0.05 1.43 -0.08 1.61 1.70 -1.26 -5.02 118.95 117.29 1tug s ARG 151 Ca 0.00 -1.15 0.11 0.00 -0.47 0.00 0.00 55.73 54.22 1tug s ARG 151 Cb 0.00 0.46 0.26 0.00 -0.57 0.00 0.00 34.95 35.10 1tug s ARG 151 CO 0.00 -0.59 1.18 1.28 -1.08 0.00 0.00 175.30 176.10 1tug n LEU 152 N -0.34 2.68 -4.34 -1.89 4.77 -1.26 -4.23 117.00 112.38 1tug n LEU 152 Ca -0.05 -2.55 -0.27 0.00 -0.03 0.00 0.00 56.01 53.11 1tug n LEU 152 Cb 0.62 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.29 1tug n LEU 152 CO 0.22 0.65 -0.55 -1.81 -1.33 0.00 0.00 177.39 174.56 1tug s ASP 153 N -1.78 2.97 -1.31 -1.43 1.01 -1.26 -4.66 116.67 110.21 1tug s ASP 153 Ca 0.23 -0.72 -0.00 0.00 0.71 0.00 0.00 52.55 52.77 1tug s ASP 153 Cb 0.18 -0.18 -0.00 0.00 1.01 0.00 0.00 42.92 43.93 1tug s ASP 153 CO 0.06 0.13 0.67 0.59 0.21 0.00 0.00 175.17 176.83 1tug n ASN 154 N 0.98 -1.12 -4.79 0.27 5.03 0.23 -4.87 115.26 110.99 1tug n ASN 154 Ca -0.19 -0.84 -0.28 0.00 0.87 0.00 0.00 54.58 54.15 1tug n ASN 154 Cb 0.53 -3.97 -0.06 0.00 -1.02 0.00 0.00 39.78 35.27 1tug n ASN 154 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1tug s LEU 155 N -6.69 3.80 -0.79 3.41 1.43 -1.23 -4.85 118.68 113.75 1tug s LEU 155 Ca 0.01 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1tug s LEU 155 Cb -0.00 -2.44 0.21 0.00 0.03 0.00 0.00 46.19 43.99 1tug s LEU 155 CO 0.82 0.11 0.70 -1.00 0.23 0.00 0.00 176.35 177.21 1tug s HIS 156 N -1.60 3.70 -0.33 0.29 3.76 -1.26 -0.51 115.29 119.34 1tug s HIS 156 Ca 0.30 -2.22 -0.14 0.00 -0.15 0.00 0.00 55.06 52.85 1tug s HIS 156 Cb -0.11 -3.66 -0.02 0.00 1.11 0.00 0.00 32.58 29.91 1tug s HIS 156 CO 0.23 -0.95 0.29 0.08 -0.85 0.00 0.00 174.74 173.54 1tug s VAL 157 N 0.01 5.24 -0.14 -0.90 1.01 -0.98 -0.30 120.40 124.34 1tug s VAL 157 Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1tug s VAL 157 Cb -0.12 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1tug s VAL 157 CO -0.08 -0.01 0.06 0.00 0.00 0.00 0.00 175.10 175.07 1tug s ALA 158 N 1.86 3.45 -0.07 5.51 0.00 0.17 -2.12 121.76 130.56 1tug s ALA 158 Ca 0.09 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1tug s ALA 158 Cb -0.17 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1tug s ALA 158 CO 0.11 0.39 -0.19 -1.64 0.00 0.00 0.00 175.76 174.43 1tug s MET 159 N -0.27 2.67 0.09 0.00 1.00 -0.32 -0.08 119.30 122.39 1tug s MET 159 Ca 0.08 -0.79 0.06 0.00 0.00 0.00 0.00 55.69 55.04 1tug s MET 159 Cb -0.12 -2.32 -0.03 0.00 0.00 0.00 0.00 34.83 32.36 1tug s MET 159 CO 0.02 0.45 -0.16 0.08 0.00 0.00 0.00 175.02 175.41 1tug s VAL 160 N -0.29 1.30 0.00 -6.03 1.01 -0.00 -1.67 120.40 114.72 1tug s VAL 160 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.51 1tug s VAL 160 Cb -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1tug s VAL 160 CO 0.03 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1tug n GLY 161 N 1.02 0.69 3.39 4.51 0.00 -1.19 -1.46 105.19 112.15 1tug n GLY 161 Ca -0.19 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.10 1tug n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tug s ASP 162 N -4.00 7.00 0.00 1.61 3.68 -1.26 -4.18 116.67 119.52 1tug s ASP 162 Ca 0.00 -2.95 0.28 0.00 2.13 0.00 0.00 52.55 52.00 1tug s ASP 162 Cb 0.00 -2.29 1.01 0.00 -1.45 0.00 0.00 42.92 40.19 1tug s ASP 162 CO 0.00 -0.61 1.73 0.18 0.13 0.00 0.00 175.17 176.60 1tug n LEU 163 N 4.41 0.57 0.02 -1.34 4.77 -0.70 -0.42 117.00 124.31 1tug n LEU 163 Ca 0.25 -0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 56.00 1tug n LEU 163 Cb 0.44 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1tug n LEU 163 CO 0.48 0.11 -0.27 0.50 -1.33 0.00 0.00 177.39 176.88 1tug h LYS 164 N 0.60 0.26 -0.01 3.23 3.64 -0.74 -3.35 116.57 120.20 1tug h LYS 164 Ca 0.00 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1tug h LYS 164 Cb 0.43 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1tug h LYS 164 CO 0.00 1.21 -0.16 0.66 -2.27 0.00 0.00 179.45 178.89 1tug n TYR 165 N -4.00 0.00 -1.91 1.91 4.01 -1.22 -4.80 117.16 111.16 1tug n TYR 165 Ca -0.21 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.30 1tug n TYR 165 Cb 0.87 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.84 1tug n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1tug s GLY 166 N -1.23 -0.18 0.54 2.72 0.00 0.43 -4.78 107.32 104.82 1tug s GLY 166 Ca 0.09 -1.51 0.30 0.00 0.00 0.00 0.00 44.72 43.59 1tug s GLY 166 CO 0.22 3.75 1.92 0.07 0.00 0.00 0.00 173.10 179.06 1tug h ARG 167 N 11.24 0.00 -0.17 2.90 0.11 -1.87 -0.31 114.38 126.28 1tug h ARG 167 Ca 0.10 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.13 1tug h ARG 167 Cb 0.99 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.06 1tug h ARG 167 CO 1.15 0.00 -0.06 1.79 0.10 0.00 0.00 179.97 182.95 1tug h THR 168 N 0.00 1.30 0.00 0.08 1.35 -1.95 -3.09 112.91 110.60 1tug h THR 168 Ca 0.37 -1.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.16 1tug h THR 168 Cb 1.50 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1tug h THR 168 CO -0.00 0.31 -0.09 -0.37 -0.25 0.00 0.00 175.52 175.13 1tug h VAL 169 N 0.04 0.33 0.07 6.82 -1.51 -1.42 -1.45 116.25 119.11 1tug h VAL 169 Ca 0.04 -0.53 -0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1tug h VAL 169 Cb 0.51 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1tug h VAL 169 CO 0.02 0.08 -0.03 0.45 -1.23 0.00 0.00 177.57 176.86 1tug h HIS 170 N 0.00 -0.08 -0.68 5.19 3.86 -1.39 -2.74 115.15 119.31 1tug h HIS 170 Ca -0.00 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1tug h HIS 170 Cb 0.39 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 1tug h HIS 170 CO 0.00 0.45 0.39 0.77 0.86 0.00 0.00 177.93 180.41 1tug h SER 171 N -0.69 0.60 -0.82 2.45 0.02 -1.50 -1.68 113.55 111.94 1tug h SER 171 Ca -0.01 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1tug h SER 171 Cb 0.57 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1tug h SER 171 CO 0.01 0.40 0.52 0.25 -1.14 0.00 0.00 176.83 176.87 1tug h LEU 172 N 0.73 0.83 0.19 5.07 5.85 -1.31 -0.11 115.31 126.56 1tug h LEU 172 Ca 0.29 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1tug h LEU 172 Cb 0.14 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1tug h LEU 172 CO -0.16 0.56 -0.09 0.74 -0.34 0.00 0.00 178.44 179.15 1tug h THR 173 N 0.98 0.90 0.01 1.05 2.02 -1.11 -0.51 112.91 116.26 1tug h THR 173 Ca 0.34 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1tug h THR 173 Cb 0.08 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1tug h THR 173 CO -0.14 0.11 -0.14 1.56 0.37 0.00 0.00 175.52 177.28 1tug h GLN 174 N -0.49 -0.17 -0.97 6.66 4.20 -1.12 -0.25 115.11 122.97 1tug h GLN 174 Ca -0.03 0.01 0.26 0.00 0.06 0.00 0.00 58.65 58.96 1tug h GLN 174 Cb 0.37 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 28.02 1tug h GLN 174 CO 0.04 -0.12 0.03 0.00 -0.67 0.00 0.00 178.83 178.12 1tug h ALA 175 N -1.24 1.14 -0.00 3.87 0.00 -1.08 0.10 119.26 122.06 1tug h ALA 175 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1tug h ALA 175 Cb 0.19 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1tug h ALA 175 CO -0.09 -0.55 -0.08 1.28 0.00 0.00 0.00 179.25 179.80 1tug n LEU 176 N -5.47 0.20 -0.24 0.00 4.77 -0.20 -2.64 117.00 113.43 1tug n LEU 176 Ca 0.22 0.21 0.14 0.00 -0.03 0.00 0.00 56.01 56.56 1tug n LEU 176 Cb 0.73 -0.30 0.53 0.00 -2.33 0.00 0.00 43.42 42.06 1tug n LEU 176 CO -0.05 0.04 0.81 0.00 -1.33 0.00 0.00 177.39 176.86 1tug n ALA 177 N -1.24 2.82 1.04 -1.18 0.00 0.35 -3.11 120.51 119.18 1tug n ALA 177 Ca 0.12 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1tug n ALA 177 Cb 0.28 -1.24 0.37 0.00 0.00 0.00 0.00 19.45 18.86 1tug n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tug n LYS 178 N -0.58 0.09 -3.76 0.00 5.02 -1.08 -4.87 118.16 112.97 1tug n LYS 178 Ca 0.15 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.19 1tug n LYS 178 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1tug n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1tug s PHE 179 N -2.94 2.74 0.02 2.13 0.08 -1.18 -4.83 117.98 113.99 1tug s PHE 179 Ca 0.13 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.75 1tug s PHE 179 Cb 0.18 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1tug s PHE 179 CO 0.64 0.05 0.05 -0.51 -0.10 0.00 0.00 175.22 175.34 1tug s ASP 180 N -4.03 5.42 0.00 1.36 1.11 -1.26 -4.58 116.67 114.69 1tug s ASP 180 Ca 0.44 0.05 0.00 0.00 0.18 0.00 0.00 52.55 53.22 1tug s ASP 180 Cb -0.03 -1.48 0.00 0.00 1.07 0.00 0.00 42.92 42.48 1tug s ASP 180 CO 0.26 0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.48 1tug n GLY 181 N 1.10 0.67 3.80 0.21 0.00 -1.26 -0.60 105.19 109.11 1tug n GLY 181 Ca -0.13 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1tug n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tug s ASN 182 N -2.16 7.17 -0.18 1.61 0.01 -1.26 -3.18 114.94 116.95 1tug s ASN 182 Ca 0.00 1.57 0.01 0.00 -0.71 0.00 0.00 52.86 53.73 1tug s ASN 182 Cb 0.00 -2.48 0.03 0.00 0.41 0.00 0.00 41.25 39.21 1tug s ASN 182 CO 0.00 0.01 -0.15 -0.60 -1.51 0.00 0.00 177.10 174.84 1tug s ARG 183 N -1.97 2.50 -0.06 -0.60 3.52 0.33 -4.22 118.95 118.46 1tug s ARG 183 Ca 0.45 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 1tug s ARG 183 Cb -0.18 -2.40 -0.04 0.00 -1.56 0.00 0.00 34.95 30.78 1tug s ARG 183 CO 0.22 -0.29 0.07 -0.06 -0.81 0.00 0.00 175.30 174.44 1tug s PHE 184 N 1.37 3.34 -0.21 5.12 0.40 -0.45 -2.32 117.98 125.22 1tug s PHE 184 Ca 0.03 0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1tug s PHE 184 Cb -0.14 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1tug s PHE 184 CO -0.11 0.58 -0.10 0.71 0.70 0.00 0.00 175.22 177.01 1tug s TYR 185 N -1.05 2.93 -0.68 0.36 1.51 -0.90 -1.48 117.35 118.04 1tug s TYR 185 Ca 0.18 -1.31 -0.08 0.00 -1.01 0.00 0.00 57.07 54.84 1tug s TYR 185 Cb -0.12 -2.04 0.18 0.00 -0.11 0.00 0.00 41.96 39.87 1tug s TYR 185 CO 0.07 -0.67 0.55 -0.06 -1.11 0.00 0.00 175.55 174.33 1tug s PHE 186 N 1.38 3.55 -0.28 2.71 0.08 0.15 -1.18 117.98 124.39 1tug s PHE 186 Ca 0.04 -2.31 -0.21 0.00 0.12 0.00 0.00 56.93 54.57 1tug s PHE 186 Cb -0.14 -3.49 -0.01 0.00 -0.57 0.00 0.00 43.02 38.81 1tug s PHE 186 CO -0.07 -0.92 0.69 0.42 -0.10 0.00 0.00 175.22 175.24 1tug s ILE 187 N 0.23 4.91 0.08 0.64 1.01 -0.67 -1.63 121.20 125.77 1tug s ILE 187 Ca 0.16 1.12 -0.26 0.00 0.00 0.00 0.00 60.65 61.66 1tug s ILE 187 Cb -0.17 -4.02 0.08 0.00 0.01 0.00 0.00 42.46 38.36 1tug s ILE 187 CO -0.05 -0.09 0.84 0.00 0.00 0.00 0.00 174.94 175.64 1tug s ALA 188 N 2.67 -1.71 0.20 9.38 0.00 -1.20 -3.19 121.76 127.91 1tug s ALA 188 Ca 0.28 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 1tug s ALA 188 Cb -0.15 0.58 -0.08 0.00 0.00 0.00 0.00 23.12 23.47 1tug s ALA 188 CO 0.10 -0.80 1.07 -2.14 0.00 0.00 0.00 175.76 173.99 1tug s PRO 189 N -3.32 4.64 0.54 0.00 0.02 -1.26 -4.85 135.00 130.77 1tug s PRO 189 Ca 0.06 1.70 0.27 0.00 0.02 0.00 0.00 61.00 63.05 1tug s PRO 189 Cb -0.01 -3.26 1.43 0.00 0.02 0.00 0.00 34.50 32.67 1tug s PRO 189 CO -0.06 0.16 1.97 -0.44 -0.33 0.00 0.00 177.00 178.30 1tug h ASP 190 N 4.74 0.00 0.27 2.53 3.32 -1.98 1.40 116.42 126.69 1tug h ASP 190 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1tug h ASP 190 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1tug h ASP 190 CO 0.71 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.23 1tug n ALA 191 N -2.62 1.64 -1.74 3.45 0.00 -1.26 -3.30 120.51 116.68 1tug n ALA 191 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1tug n ALA 191 Cb 0.67 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1tug n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1tug n LEU 192 N -1.35 0.00 -4.66 0.00 4.77 0.48 -4.98 117.00 111.26 1tug n LEU 192 Ca 0.05 -0.73 -0.31 0.00 -0.03 0.00 0.00 56.01 54.99 1tug n LEU 192 Cb 0.10 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 1tug n LEU 192 CO 0.09 0.24 0.67 0.00 -1.33 0.00 0.00 177.39 177.06 1tug s ALA 193 N 0.00 1.34 0.17 -1.18 0.00 -0.95 -0.68 121.76 120.46 1tug s ALA 193 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 51.96 52.19 1tug s ALA 193 Cb 0.00 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 1tug s ALA 193 CO 0.00 -2.85 1.72 -0.12 0.00 0.00 0.00 175.76 174.52 1tug n MET 194 N -4.29 2.61 -0.96 0.00 1.56 -1.26 -2.82 117.12 111.95 1tug n MET 194 Ca 0.11 0.94 -0.34 0.00 -0.27 0.00 0.00 57.70 58.15 1tug n MET 194 Cb 0.52 -2.78 0.10 0.00 2.15 0.00 0.00 33.22 33.21 1tug n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1tug n PRO 195 N 4.34 -0.07 -0.05 2.12 -0.02 -1.26 -4.83 135.00 135.24 1tug n PRO 195 Ca 0.17 0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1tug n PRO 195 Cb 0.34 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1tug n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1tug h GLN 196 N -1.15 0.60 -1.00 -0.52 5.75 -1.99 -2.69 115.11 114.11 1tug h GLN 196 Ca -0.44 -0.43 0.15 0.00 -0.15 0.00 0.00 58.65 57.78 1tug h GLN 196 Cb 1.30 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.83 1tug h GLN 196 CO 0.37 1.05 0.62 0.10 -2.65 0.00 0.00 178.83 178.32 1tug h TYR 197 N 0.25 1.10 -0.15 3.99 -0.00 -1.98 1.11 116.97 121.29 1tug h TYR 197 Ca -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.75 1tug h TYR 197 Cb 1.08 -0.34 -0.01 0.00 -0.00 0.00 0.00 36.73 37.46 1tug h TYR 197 CO 0.10 0.36 0.08 0.82 -0.00 0.00 0.00 178.16 179.52 1tug h ILE 198 N 0.89 1.08 -0.63 -0.90 1.08 -1.92 -0.03 117.51 117.07 1tug h ILE 198 Ca 0.53 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.80 1tug h ILE 198 Cb 0.67 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 1tug h ILE 198 CO -0.31 0.08 0.39 -0.07 -0.69 0.00 0.00 178.15 177.55 1tug h LEU 199 N 0.15 0.65 0.26 1.44 3.38 0.26 -0.93 115.31 120.52 1tug h LEU 199 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1tug h LEU 199 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1tug h LEU 199 CO -0.01 0.46 -0.27 0.44 0.09 0.00 0.00 178.44 179.14 1tug h ASP 200 N 0.78 -0.75 -1.08 -0.43 3.32 0.12 -2.58 116.42 115.80 1tug h ASP 200 Ca 0.25 0.06 0.29 0.00 0.02 0.00 0.00 57.03 57.65 1tug h ASP 200 Cb 0.00 0.25 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 1tug h ASP 200 CO -0.09 -0.36 0.68 -0.03 -1.72 0.00 0.00 179.24 177.72 1tug h MET 201 N -0.54 0.35 -0.90 3.56 4.05 -0.93 0.74 114.93 121.26 1tug h MET 201 Ca -0.03 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1tug h MET 201 Cb 0.47 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 1tug h MET 201 CO -0.04 0.23 0.58 -0.07 0.23 0.00 0.00 176.91 177.84 1tug h LEU 202 N 0.36 1.05 -0.21 3.39 3.38 -0.81 -3.07 115.31 119.40 1tug h LEU 202 Ca 0.64 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.44 1tug h LEU 202 Cb 1.65 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1tug h LEU 202 CO -0.36 0.77 -0.65 0.44 0.09 0.00 0.00 178.44 178.73 1tug h ASP 203 N 1.23 0.00 -0.12 -0.43 3.32 0.85 -1.50 116.42 119.77 1tug h ASP 203 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1tug h ASP 203 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1tug h ASP 203 CO -0.07 0.65 0.00 -1.84 -1.72 0.00 0.00 179.24 176.27 1tug n GLU 204 N -3.36 1.59 0.00 3.56 0.28 -0.87 -2.48 120.64 119.36 1tug n GLU 204 Ca 0.01 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.45 1tug n GLU 204 Cb 0.76 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 32.17 1tug n GLU 204 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1tug n LYS 205 N 0.04 2.54 -2.23 3.44 3.00 -1.14 -5.05 118.16 118.75 1tug n LYS 205 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.35 1tug n LYS 205 Cb 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.59 1tug n LYS 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tug n GLY 206 N 1.52 0.59 3.65 3.14 0.00 -0.79 -5.03 105.19 108.27 1tug n GLY 206 Ca 0.00 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1tug n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tug s ILE 207 N -2.44 5.14 -0.02 -0.61 1.01 -0.63 -5.02 121.20 118.63 1tug s ILE 207 Ca 0.01 0.80 -0.34 0.00 0.00 0.00 0.00 60.65 61.12 1tug s ILE 207 Cb -0.00 -3.78 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 1tug s ILE 207 CO 0.01 0.19 1.80 0.00 0.00 0.00 0.00 174.94 176.93 1tug n ALA 208 N 4.84 1.00 -2.65 9.38 0.00 -1.26 -4.69 120.51 127.13 1tug n ALA 208 Ca -0.06 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 1tug n ALA 208 Cb 0.51 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 1tug n ALA 208 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1tug s TRP 209 N 3.19 0.31 0.18 0.00 1.48 -1.26 -1.34 118.94 121.50 1tug s TRP 209 Ca 0.89 -0.70 -0.23 0.00 -1.06 0.00 0.00 56.10 55.00 1tug s TRP 209 Cb -0.69 -0.06 0.06 0.00 -1.16 0.00 0.00 33.47 31.61 1tug s TRP 209 CO 0.48 -0.65 0.72 -1.54 -4.06 0.00 0.00 176.95 171.89 1tug s SER 210 N -2.93 -0.39 0.01 -2.66 1.04 -0.55 -4.96 113.70 103.25 1tug s SER 210 Ca 0.13 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.35 1tug s SER 210 Cb 0.04 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1tug s SER 210 CO -0.04 -1.05 -0.10 -0.76 0.98 0.00 0.00 173.24 172.26 1tug s LEU 211 N -2.80 2.98 -0.02 2.42 1.02 -1.26 -0.67 118.68 120.34 1tug s LEU 211 Ca 0.06 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1tug s LEU 211 Cb -0.03 -1.71 0.03 0.00 0.02 0.00 0.00 46.19 44.50 1tug s LEU 211 CO -0.04 0.28 0.01 -1.00 0.02 0.00 0.00 176.35 175.62 1tug s HIS 212 N -0.95 0.17 0.16 0.29 3.76 -0.64 -4.88 115.29 113.19 1tug s HIS 212 Ca 0.16 0.06 -0.24 0.00 -0.15 0.00 0.00 55.06 54.89 1tug s HIS 212 Cb -0.11 -0.31 0.05 0.00 1.11 0.00 0.00 32.58 33.32 1tug s HIS 212 CO 0.06 -0.10 1.60 0.77 -0.85 0.00 0.00 174.74 176.22 1tug h SER 213 N 7.19 -1.12 -5.41 1.40 0.02 -1.89 -3.17 113.55 110.56 1tug h SER 213 Ca -0.43 0.19 -0.17 0.00 -0.84 0.00 0.00 61.79 60.54 1tug h SER 213 Cb 1.13 0.52 -0.14 0.00 0.14 0.00 0.00 62.40 64.05 1tug h SER 213 CO 0.48 -0.33 -0.50 -0.94 -1.14 0.00 0.00 176.83 174.40 1tug s SER 214 N -5.06 0.16 0.37 3.07 1.04 -1.26 -4.54 113.70 107.48 1tug s SER 214 Ca -0.15 -1.14 0.17 0.00 0.48 0.00 0.00 55.95 55.31 1tug s SER 214 Cb 0.13 0.38 0.72 0.00 0.10 0.00 0.00 66.02 67.36 1tug s SER 214 CO 0.67 -0.84 1.77 0.40 0.98 0.00 0.00 173.24 176.22 1tug h ILE 215 N 2.66 1.01 -0.15 -1.02 2.04 -1.89 -3.12 117.51 117.03 1tug h ILE 215 Ca -0.34 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 1tug h ILE 215 Cb 1.23 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1tug h ILE 215 CO 0.52 0.38 -0.00 -0.08 0.00 0.00 0.00 178.15 178.96 1tug h GLU 216 N 0.00 0.22 -1.09 2.37 4.22 -1.93 -2.53 114.58 115.84 1tug h GLU 216 Ca -0.00 -0.03 0.31 0.00 0.08 0.00 0.00 59.36 59.71 1tug h GLU 216 Cb 0.82 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1tug h GLU 216 CO 0.05 0.25 0.76 1.49 -2.18 0.00 0.00 179.01 179.38 1tug h GLU 217 N 0.22 0.12 0.00 1.92 4.81 -1.98 -3.05 114.58 116.61 1tug h GLU 217 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1tug h GLU 217 Cb 0.16 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1tug h GLU 217 CO 0.00 0.08 0.00 1.33 -0.73 0.00 0.00 179.01 179.69 1tug n VAL 218 N -4.33 0.03 -0.33 0.32 0.24 -1.13 -4.87 118.33 108.26 1tug n VAL 218 Ca 0.24 -0.08 0.26 0.00 -2.04 0.00 0.00 64.34 62.73 1tug n VAL 218 Cb 1.09 1.65 0.50 0.00 -1.47 0.00 0.00 33.84 35.61 1tug n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1tug h MET 219 N 0.00 0.14 -0.65 7.34 4.05 -1.34 0.76 114.93 125.23 1tug h MET 219 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1tug h MET 219 Cb 0.55 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1tug h MET 219 CO 0.00 0.09 0.00 0.00 0.23 0.00 0.00 176.91 177.23 1tug n ALA 220 N -2.38 3.25 0.42 0.39 0.00 -1.26 -3.91 120.51 117.02 1tug n ALA 220 Ca 0.33 -1.59 0.04 0.00 0.00 0.00 0.00 53.44 52.23 1tug n ALA 220 Cb 1.08 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1tug n ALA 220 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tug n GLU 221 N 0.99 2.85 -4.39 0.00 -0.58 0.26 -4.75 120.64 115.02 1tug n GLU 221 Ca 0.25 -0.36 -0.35 0.00 -0.42 0.00 0.00 57.16 56.28 1tug n GLU 221 Cb 0.93 -1.01 -0.10 0.00 -0.57 0.00 0.00 31.44 30.70 1tug n GLU 221 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1tug s VAL 222 N -1.50 4.26 -0.16 2.62 -7.23 -1.18 -4.63 120.40 112.57 1tug s VAL 222 Ca 0.06 -0.27 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 1tug s VAL 222 Cb 0.07 -2.79 -0.24 0.00 0.56 0.00 0.00 36.38 33.99 1tug s VAL 222 CO 0.28 0.60 0.51 0.44 -0.31 0.00 0.00 175.10 176.63 1tug h ASP 223 N 5.16 0.08 -3.53 4.85 3.32 -1.02 -3.41 116.42 121.87 1tug h ASP 223 Ca -0.51 -0.77 -0.65 0.00 0.02 0.00 0.00 57.03 55.13 1tug h ASP 223 Cb 1.19 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.39 1tug h ASP 223 CO 0.54 1.32 -0.87 -0.63 -1.72 0.00 0.00 179.24 177.88 1tug s ILE 224 N -2.33 1.86 -0.33 0.35 -1.09 -1.19 -1.50 121.20 116.97 1tug s ILE 224 Ca -0.23 -0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 57.23 1tug s ILE 224 Cb 0.02 -1.61 0.06 0.00 -1.58 0.00 0.00 42.46 39.34 1tug s ILE 224 CO 0.67 0.52 0.08 -0.22 -1.23 0.00 0.00 174.94 174.75 1tug s LEU 225 N 0.27 4.30 -0.39 2.97 2.96 -0.63 0.46 118.68 128.62 1tug s LEU 225 Ca -0.14 -1.34 -0.08 0.00 -0.22 0.00 0.00 54.13 52.36 1tug s LEU 225 Cb -0.16 -1.80 0.07 0.00 0.50 0.00 0.00 46.19 44.80 1tug s LEU 225 CO 0.07 -0.34 0.20 -0.47 -1.32 0.00 0.00 176.35 174.49 1tug s TYR 226 N 1.30 3.34 0.14 5.38 6.14 0.88 -0.67 117.35 133.86 1tug s TYR 226 Ca -0.02 -1.59 -0.12 0.00 0.64 0.00 0.00 57.07 55.99 1tug s TYR 226 Cb -0.20 -2.74 -0.07 0.00 0.42 0.00 0.00 41.96 39.37 1tug s TYR 226 CO 0.00 -0.82 0.50 -1.64 0.64 0.00 0.00 175.55 174.23 1tug s MET 227 N 1.39 3.87 0.01 4.97 -1.94 -0.53 -0.82 119.30 126.25 1tug s MET 227 Ca 0.02 0.34 0.03 0.00 -1.71 0.00 0.00 55.69 54.37 1tug s MET 227 Cb -0.22 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.71 1tug s MET 227 CO 0.02 0.47 -0.11 0.95 -0.01 0.00 0.00 175.02 176.34 1tug s THR 228 N -1.52 0.85 0.27 2.05 -4.23 -0.53 -4.10 115.64 108.42 1tug s THR 228 Ca 0.38 -0.68 -0.30 0.00 -1.18 0.00 0.00 61.69 59.92 1tug s THR 228 Cb -0.14 -0.75 -0.10 0.00 1.34 0.00 0.00 72.50 72.85 1tug s THR 228 CO 0.19 0.08 1.35 -0.60 -0.54 0.00 0.00 174.62 175.10 1tug s ARG 229 N -0.68 4.34 -0.20 3.99 3.52 -1.26 -4.42 118.95 124.24 1tug s ARG 229 Ca 0.01 2.20 -0.23 0.00 -0.13 0.00 0.00 55.73 57.58 1tug s ARG 229 Cb -0.06 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1tug s ARG 229 CO 0.00 -0.27 0.76 0.08 -0.81 0.00 0.00 175.30 175.06 1tug s VAL 230 N -0.44 4.92 -0.54 7.11 1.01 -1.26 -4.53 120.40 126.67 1tug s VAL 230 Ca 0.54 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.70 1tug s VAL 230 Cb -0.39 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1tug s VAL 230 CO 0.46 0.03 1.37 -1.10 0.00 0.00 0.00 175.10 175.86 1tug s GLN 231 N 2.25 3.39 0.27 2.72 -0.21 -1.26 -4.84 119.66 121.97 1tug s GLN 231 Ca 0.34 0.51 0.04 0.00 0.02 0.00 0.00 55.36 56.26 1tug s GLN 231 Cb -0.16 -4.08 0.36 0.00 1.00 0.00 0.00 33.01 30.13 1tug s GLN 231 CO 0.10 -1.82 1.66 1.57 -2.12 0.00 0.00 175.29 174.68 1tug h LYS 232 N 10.72 0.34 -0.06 2.91 2.10 -1.94 -1.93 116.57 128.71 1tug h LYS 232 Ca -0.26 -0.17 0.02 0.00 -2.00 0.00 0.00 60.65 58.23 1tug h LYS 232 Cb 1.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1tug h LYS 232 CO 1.16 0.71 0.07 1.05 -2.00 0.00 0.00 179.45 180.44 1tug h GLU 233 N 0.28 0.00 0.00 0.07 4.11 -1.99 0.10 114.58 117.15 1tug h GLU 233 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1tug h GLU 233 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1tug h GLU 233 CO 0.07 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.69 1tug n ARG 234 N -3.92 0.65 -3.81 1.06 1.74 -0.72 -4.81 116.66 106.85 1tug n ARG 234 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 1tug n ARG 234 Cb 0.16 -1.37 -0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1tug n ARG 234 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1tug s LEU 235 N -1.75 -0.14 0.01 0.55 0.05 0.35 -5.07 118.68 112.68 1tug s LEU 235 Ca 0.24 -0.60 -0.30 0.00 0.05 0.00 0.00 54.13 53.52 1tug s LEU 235 Cb 0.11 2.37 -0.06 0.00 -2.05 0.00 0.00 46.19 46.56 1tug s LEU 235 CO 0.18 -1.13 1.52 -0.62 -0.55 0.00 0.00 176.35 175.76 1tug s ASP 236 N -3.03 6.74 0.37 1.48 2.15 -1.26 -4.85 116.67 118.26 1tug s ASP 236 Ca 0.14 2.24 0.20 0.00 0.43 0.00 0.00 52.55 55.56 1tug s ASP 236 Cb -0.03 -2.56 1.10 0.00 -0.30 0.00 0.00 42.92 41.13 1tug s ASP 236 CO 0.05 -0.81 1.58 1.55 -0.17 0.00 0.00 175.17 177.36 1tug h PRO 237 N 8.32 0.00 0.04 4.34 0.13 -1.98 1.09 132.00 143.94 1tug h PRO 237 Ca -0.39 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.56 1tug h PRO 237 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1tug h PRO 237 CO 0.92 0.00 -0.96 0.66 -0.23 0.00 0.00 178.00 178.39 1tug h SER 238 N 0.00 0.13 -0.97 1.44 4.64 -1.99 -3.22 113.55 113.58 1tug h SER 238 Ca 0.00 -0.76 0.03 0.00 -0.47 0.00 0.00 61.79 60.59 1tug h SER 238 Cb 0.28 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 1tug h SER 238 CO 0.00 1.40 0.64 1.05 -0.87 0.00 0.00 176.83 179.04 1tug h GLU 239 N -0.76 1.22 -0.12 4.77 4.11 -1.00 -2.72 114.58 120.07 1tug h GLU 239 Ca -0.24 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.04 1tug h GLU 239 Cb 1.38 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1tug h GLU 239 CO -0.06 0.80 -0.23 -0.92 0.07 0.00 0.00 179.01 178.68 1tug h TYR 240 N 1.25 0.46 0.00 2.06 5.03 0.88 -3.17 116.97 123.49 1tug h TYR 240 Ca 0.38 -0.17 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1tug h TYR 240 Cb -0.05 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1tug h TYR 240 CO -0.01 0.84 0.00 0.00 -1.32 0.00 0.00 178.16 177.68 1tug h ALA 241 N 0.54 1.00 -0.09 1.82 0.00 -1.54 -2.53 119.26 118.46 1tug h ALA 241 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1tug h ALA 241 Cb 0.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1tug h ALA 241 CO 0.05 0.00 -0.68 -0.97 0.00 0.00 0.00 179.25 177.66 1tug h ASN 242 N 0.00 0.74 0.34 0.00 -0.73 -1.45 -3.35 115.58 111.12 1tug h ASN 242 Ca 0.00 -0.67 -0.33 0.00 1.87 0.00 0.00 56.30 57.17 1tug h ASN 242 Cb 0.45 -0.22 0.02 0.00 0.27 0.00 0.00 38.32 38.84 1tug h ASN 242 CO 0.00 1.30 -1.50 -0.37 -0.37 0.00 0.00 177.43 176.49 1tug h VAL 243 N 0.25 1.24 -0.17 2.57 -1.51 -1.60 -3.44 116.25 113.59 1tug h VAL 243 Ca -0.06 -2.74 -0.62 0.00 -1.23 0.00 0.00 66.70 62.05 1tug h VAL 243 Cb 1.33 2.95 -0.00 0.00 -2.13 0.00 0.00 31.29 33.44 1tug h VAL 243 CO 0.14 0.84 2.30 1.17 -1.23 0.00 0.00 177.57 180.78 1tug n LYS 244 N -3.63 2.04 0.00 5.19 3.00 -0.96 -1.12 118.16 122.68 1tug n LYS 244 Ca -0.17 -2.30 0.00 0.00 -0.00 0.00 0.00 58.31 55.85 1tug n LYS 244 Cb 1.08 -3.21 0.00 0.00 0.00 0.00 0.00 35.03 32.90 1tug n LYS 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tug n ALA 245 N 8.39 0.00 0.72 3.14 0.00 -1.26 -4.77 120.51 126.73 1tug n ALA 245 Ca 0.49 0.00 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1tug n ALA 245 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1tug n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tug n GLN 246 N 0.00 1.65 0.00 0.00 6.02 -0.28 -4.53 117.38 120.24 1tug n GLN 246 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 1tug n GLN 246 Cb 0.00 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1tug n GLN 246 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1tug n PHE 247 N -0.07 0.00 -2.87 1.08 3.72 -1.26 -4.29 117.46 113.78 1tug n PHE 247 Ca 0.07 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.17 1tug n PHE 247 Cb 0.34 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 1tug n PHE 247 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1tug s VAL 248 N -0.22 4.78 -0.09 -4.37 -7.23 -1.26 -4.91 120.40 107.10 1tug s VAL 248 Ca 0.00 0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.81 1tug s VAL 248 Cb 0.00 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1tug s VAL 248 CO 0.00 -0.51 -0.10 -0.22 -0.31 0.00 0.00 175.10 173.96 1tug s LEU 249 N -3.81 2.93 0.18 1.32 2.96 0.29 -4.99 118.68 117.56 1tug s LEU 249 Ca 0.51 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.31 1tug s LEU 249 Cb -0.10 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1tug s LEU 249 CO 0.31 0.28 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.37 1tug s ARG 250 N -0.34 1.20 0.50 1.98 0.52 -1.26 -2.19 118.95 119.36 1tug s ARG 250 Ca 0.04 -1.52 0.17 0.00 -0.52 0.00 0.00 55.73 53.89 1tug s ARG 250 Cb -0.13 -0.86 1.24 0.00 0.52 0.00 0.00 34.95 35.72 1tug s ARG 250 CO 0.02 0.12 2.09 0.00 0.02 0.00 0.00 175.30 177.56 1tug h ALA 251 N 2.66 2.08 -0.02 2.13 0.00 -1.92 -0.01 119.26 124.19 1tug h ALA 251 Ca -0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1tug h ALA 251 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1tug h ALA 251 CO 0.63 -0.13 -0.06 0.77 0.00 0.00 0.00 179.25 180.46 1tug h SER 252 N 0.09 0.03 0.63 0.00 0.02 -1.96 0.21 113.55 112.57 1tug h SER 252 Ca 0.09 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1tug h SER 252 Cb 0.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1tug h SER 252 CO -0.01 0.10 0.00 0.44 -1.14 0.00 0.00 176.83 176.22 1tug h ASP 253 N 0.03 0.00 0.58 3.07 3.45 -1.40 -3.18 116.42 118.97 1tug h ASP 253 Ca 0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1tug h ASP 253 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1tug h ASP 253 CO 0.01 0.00 -0.94 0.18 -1.57 0.00 0.00 179.24 176.92 1tug n LEU 254 N -2.68 0.64 -0.49 1.55 4.77 0.73 -4.29 117.00 117.22 1tug n LEU 254 Ca 0.00 0.07 0.40 0.00 -0.03 0.00 0.00 56.01 56.46 1tug n LEU 254 Cb 0.21 -0.11 0.71 0.00 -2.33 0.00 0.00 43.42 41.90 1tug n LEU 254 CO 0.21 -0.00 1.33 1.12 -1.33 0.00 0.00 177.39 178.73 1tug h HIS 255 N 0.00 0.26 -0.11 -1.77 2.07 -1.52 -0.81 115.15 113.26 1tug h HIS 255 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1tug h HIS 255 Cb 0.76 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1tug h HIS 255 CO 0.00 -0.08 0.00 0.27 -3.07 0.00 0.00 177.93 175.05 1tug n ASN 256 N -4.34 2.42 -4.80 3.10 6.94 -1.26 -5.03 115.26 112.29 1tug n ASN 256 Ca 0.36 -1.69 -0.34 0.00 -0.02 0.00 0.00 54.58 52.90 1tug n ASN 256 Cb 1.53 -0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 38.85 1tug n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tug s ALA 257 N -1.16 2.86 0.70 -2.53 0.00 -0.31 -4.39 121.76 116.93 1tug s ALA 257 Ca 0.20 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1tug s ALA 257 Cb 0.13 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1tug s ALA 257 CO 0.19 -0.38 0.73 1.63 0.00 0.00 0.00 175.76 177.93 1tug n LYS 258 N -1.17 0.44 0.09 0.00 4.01 -1.26 -4.91 118.16 115.36 1tug n LYS 258 Ca 0.09 0.20 -0.03 0.00 -0.51 0.00 0.00 58.31 58.06 1tug n LYS 258 Cb 0.53 -2.00 0.20 0.00 -0.51 0.00 0.00 35.03 33.25 1tug n LYS 258 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1tug h ALA 259 N -0.21 1.05 0.00 7.82 0.00 -1.95 -2.79 119.26 123.18 1tug h ALA 259 Ca -0.46 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 1tug h ALA 259 Cb 1.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1tug h ALA 259 CO 0.45 0.62 -0.44 -2.95 0.00 0.00 0.00 179.25 176.93 1tug h ASN 260 N 0.20 0.00 -3.10 0.00 -1.07 -1.93 -3.46 115.58 106.22 1tug h ASN 260 Ca 0.01 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.81 1tug h ASN 260 Cb 0.88 0.00 0.10 0.00 -2.07 0.00 0.00 38.32 37.23 1tug h ASN 260 CO 0.07 0.44 0.57 0.80 0.07 0.00 0.00 177.43 179.38 1tug n MET 261 N -3.66 2.14 -4.53 4.14 1.56 -1.06 -4.94 117.12 110.78 1tug n MET 261 Ca -0.01 0.75 -0.21 0.00 -0.27 0.00 0.00 57.70 57.97 1tug n MET 261 Cb 0.53 -2.37 -0.15 0.00 2.15 0.00 0.00 33.22 33.37 1tug n MET 261 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1tug s LYS 262 N -1.29 1.01 -0.24 2.12 -0.14 -0.56 -4.55 119.74 116.08 1tug s LYS 262 Ca 0.60 -0.42 -0.14 0.00 -1.36 0.00 0.00 55.97 54.65 1tug s LYS 262 Cb -0.59 -0.96 -0.04 0.00 -1.68 0.00 0.00 37.83 34.56 1tug s LYS 262 CO 0.57 0.24 0.34 0.08 -0.76 0.00 0.00 175.35 175.82 1tug s VAL 263 N -0.20 5.22 0.19 3.17 1.01 0.12 -1.60 120.40 128.31 1tug s VAL 263 Ca 0.03 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1tug s VAL 263 Cb -0.05 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1tug s VAL 263 CO -0.00 0.22 0.10 -0.76 0.00 0.00 0.00 175.10 174.66 1tug s LEU 264 N 1.64 3.63 -0.28 3.92 1.43 0.15 -0.91 118.68 128.25 1tug s LEU 264 Ca 0.15 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1tug s LEU 264 Cb -0.15 -2.23 0.09 0.00 0.03 0.00 0.00 46.19 43.93 1tug s LEU 264 CO 0.08 0.05 0.69 -2.28 0.23 0.00 0.00 176.35 175.13 1tug s HIS 265 N -1.84 -1.12 -0.33 0.29 2.46 -1.26 -1.45 115.29 112.04 1tug s HIS 265 Ca 0.30 2.15 0.26 0.00 0.47 0.00 0.00 55.06 58.24 1tug s HIS 265 Cb -0.09 0.67 1.10 0.00 -0.13 0.00 0.00 32.58 34.12 1tug s HIS 265 CO 0.22 -0.55 1.77 -1.00 -2.47 0.00 0.00 174.74 172.71 1tug h PRO 266 N 7.20 0.00 -2.19 2.88 0.14 -1.94 -3.45 132.00 134.63 1tug h PRO 266 Ca -0.27 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.87 1tug h PRO 266 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.34 1tug h PRO 266 CO 0.15 0.00 -0.56 1.28 0.14 0.00 0.00 178.00 179.01 1tug n LEU 267 N -2.40 -1.21 -4.81 1.56 4.32 -1.26 -5.00 117.00 108.20 1tug n LEU 267 Ca 0.01 1.72 -0.34 0.00 -0.02 0.00 0.00 56.01 57.38 1tug n LEU 267 Cb 0.22 -1.41 -0.06 0.00 -1.62 0.00 0.00 43.42 40.55 1tug n LEU 267 CO 0.20 -0.25 0.66 -2.16 -1.22 0.00 0.00 177.39 174.62 1tug s PRO 268 N -4.77 4.29 0.12 3.23 0.04 -1.26 -5.07 135.00 131.58 1tug s PRO 268 Ca 0.00 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1tug s PRO 268 Cb 0.00 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1tug s PRO 268 CO 0.00 0.02 0.33 -0.98 0.04 0.00 0.00 177.00 176.41 1tug s ARG 269 N -2.85 3.57 -0.02 4.56 1.70 -1.26 -4.73 118.95 119.92 1tug s ARG 269 Ca 0.59 -0.19 -0.07 0.00 -0.47 0.00 0.00 55.73 55.60 1tug s ARG 269 Cb -0.13 -2.90 -0.02 0.00 -0.57 0.00 0.00 34.95 31.33 1tug s ARG 269 CO 0.17 0.50 -0.13 0.28 -1.08 0.00 0.00 175.30 175.04 1tug n VAL 270 N 0.12 1.16 -1.84 4.99 0.31 -1.26 -4.97 118.33 116.84 1tug n VAL 270 Ca -0.03 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1tug n VAL 270 Cb 0.52 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1tug n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1tug n ASP 271 N -3.71 0.00 0.08 4.52 3.85 -1.26 -4.89 116.55 115.14 1tug n ASP 271 Ca -0.05 -1.14 -0.08 0.00 -0.71 0.00 0.00 54.79 52.81 1tug n ASP 271 Cb 0.19 -0.03 -0.05 0.00 -1.35 0.00 0.00 41.12 39.89 1tug n ASP 271 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1tug h GLU 272 N 0.00 0.10 -4.92 0.11 9.09 -1.93 -3.41 114.58 113.62 1tug h GLU 272 Ca 0.00 -0.13 -0.67 0.00 0.05 0.00 0.00 59.36 58.61 1tug h GLU 272 Cb 1.05 0.04 -0.33 0.00 -1.65 0.00 0.00 28.75 27.87 1tug h GLU 272 CO 0.00 0.97 -0.77 0.42 0.05 0.00 0.00 179.01 179.68 1tug s ILE 273 N -2.98 2.69 0.70 -1.06 1.01 -1.26 0.11 121.20 120.41 1tug s ILE 273 Ca -0.01 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 1tug s ILE 273 Cb 0.10 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1tug s ILE 273 CO 0.82 0.22 1.22 0.00 0.00 0.00 0.00 174.94 177.20 1tug s ALA 274 N 1.29 2.20 0.22 9.38 0.00 -0.93 -4.91 121.76 129.02 1tug s ALA 274 Ca -0.00 0.94 0.30 0.00 0.00 0.00 0.00 51.96 53.19 1tug s ALA 274 Cb -0.17 -3.48 1.32 0.00 0.00 0.00 0.00 23.12 20.80 1tug s ALA 274 CO -0.06 -1.76 1.98 1.79 0.00 0.00 0.00 175.76 177.72 1tug h THR 275 N -0.05 0.30 0.00 0.00 1.35 -1.98 -2.21 112.91 110.32 1tug h THR 275 Ca -0.48 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1tug h THR 275 Cb 1.30 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1tug h THR 275 CO 0.51 0.10 0.00 -2.24 -0.25 0.00 0.00 175.52 173.64 1tug h ASP 276 N 0.00 0.00 0.91 5.36 -0.00 -1.96 -0.05 116.42 120.68 1tug h ASP 276 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.96 1tug h ASP 276 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.83 1tug h ASP 276 CO 0.01 0.00 -0.35 0.58 -0.00 0.00 0.00 179.24 179.48 1tug h VAL 277 N 0.00 0.81 0.00 4.15 2.07 -1.75 -3.24 116.25 118.29 1tug h VAL 277 Ca 0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1tug h VAL 277 Cb 0.35 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1tug h VAL 277 CO 0.00 0.34 0.00 0.44 0.02 0.00 0.00 177.57 178.37 1tug h ASP 278 N 0.00 0.00 -0.01 0.57 3.45 -1.15 -2.27 116.42 117.02 1tug h ASP 278 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1tug h ASP 278 Cb 0.90 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 1tug h ASP 278 CO 0.05 0.00 -0.19 0.29 -1.57 0.00 0.00 179.24 177.81 1tug n LYS 279 N -3.03 1.63 -2.81 3.56 4.01 -1.22 -4.89 118.16 115.41 1tug n LYS 279 Ca -0.02 -0.85 -0.33 0.00 -0.51 0.00 0.00 58.31 56.60 1tug n LYS 279 Cb 0.10 -1.19 -0.07 0.00 -0.51 0.00 0.00 35.03 33.36 1tug n LYS 279 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1tug s THR 280 N -1.45 4.36 -0.33 -0.18 -4.23 -0.85 -4.94 115.64 108.01 1tug s THR 280 Ca 0.12 1.50 0.06 0.00 -1.18 0.00 0.00 61.69 62.19 1tug s THR 280 Cb 0.10 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.38 1tug s THR 280 CO 0.28 -0.28 1.05 -0.81 -0.54 0.00 0.00 174.62 174.31 1tug n PRO 281 N -0.56 0.04 0.00 3.99 -0.04 -1.26 -2.44 135.00 134.74 1tug n PRO 281 Ca 0.07 0.43 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1tug n PRO 281 Cb 0.54 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.99 1tug n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tug h HIS 282 N 0.00 0.00 -1.57 0.54 3.86 -1.87 -3.46 115.15 112.65 1tug h HIS 282 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1tug h HIS 282 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1tug h HIS 282 CO 0.00 0.96 1.38 0.00 0.86 0.00 0.00 177.93 181.13 1tug n ALA 283 N -2.49 1.27 -2.03 2.45 0.00 -1.02 0.12 120.51 118.82 1tug n ALA 283 Ca -0.12 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.29 1tug n ALA 283 Cb 1.01 -2.66 0.03 0.00 0.00 0.00 0.00 19.45 17.82 1tug n ALA 283 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1tug n TRP 284 N 9.86 0.00 0.07 0.00 -0.00 -0.09 -4.85 117.44 122.44 1tug n TRP 284 Ca 0.34 -0.33 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 1tug n TRP 284 Cb 0.31 -0.10 -0.08 0.00 -0.00 0.00 0.00 31.31 31.44 1tug n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1tug h TYR 285 N 0.35 0.00 0.20 5.87 -0.00 -1.85 -0.49 116.97 121.05 1tug h TYR 285 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.34 1tug h TYR 285 Cb 1.48 0.00 0.02 0.00 0.00 0.00 0.00 36.73 38.23 1tug h TYR 285 CO 0.15 0.86 -1.46 0.74 -0.00 0.00 0.00 178.16 178.45 1tug h PHE 286 N 0.00 0.77 -0.92 0.10 0.04 -1.90 -2.29 116.94 112.74 1tug h PHE 286 Ca -0.03 -0.56 -0.00 0.00 2.80 0.00 0.00 57.97 60.17 1tug h PHE 286 Cb 1.68 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.76 1tug h PHE 286 CO 0.00 1.48 0.56 1.96 -0.60 0.00 0.00 178.31 181.71 1tug h GLN 287 N 0.12 1.24 -0.33 1.51 7.50 -1.90 -0.60 115.11 122.64 1tug h GLN 287 Ca -0.23 -0.11 0.04 0.00 0.50 0.00 0.00 58.65 58.85 1tug h GLN 287 Cb 2.10 -0.26 -0.04 0.00 0.05 0.00 0.00 27.48 29.32 1tug h GLN 287 CO 0.23 0.86 0.09 0.37 -1.50 0.00 0.00 178.83 178.89 1tug h GLN 288 N 1.26 0.22 -0.22 1.46 4.15 -1.05 0.33 115.11 121.25 1tug h GLN 288 Ca 0.33 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.78 1tug h GLN 288 Cb -0.06 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1tug h GLN 288 CO -0.06 0.14 -0.06 0.00 -1.93 0.00 0.00 178.83 176.92 1tug h ALA 289 N 1.23 0.14 -0.93 3.38 0.00 -1.06 -1.51 119.26 120.51 1tug h ALA 289 Ca 0.15 0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.37 1tug h ALA 289 Cb 0.15 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 1tug h ALA 289 CO -0.18 -0.48 0.49 0.78 0.00 0.00 0.00 179.25 179.86 1tug h GLY 290 N -0.01 1.66 1.65 0.00 0.00 -0.17 0.11 103.07 106.32 1tug h GLY 290 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1tug h GLY 290 CO -0.23 -0.21 0.00 0.70 0.00 0.00 0.00 176.54 176.79 1tug n ASN 291 N -4.94 0.00 0.27 0.19 5.03 0.02 -2.00 115.26 113.82 1tug n ASN 291 Ca 0.23 0.12 0.15 0.00 0.87 0.00 0.00 54.58 55.95 1tug n ASN 291 Cb 0.65 -0.32 0.74 0.00 -1.02 0.00 0.00 39.78 39.83 1tug n ASN 291 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1tug h GLY 292 N 2.93 0.00 0.87 7.41 0.00 -0.65 -0.94 103.07 112.70 1tug h GLY 292 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1tug h GLY 292 CO 0.00 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.07 1tug h ILE 293 N 0.00 1.33 -0.14 2.60 1.08 -1.55 -2.28 117.51 118.56 1tug h ILE 293 Ca -0.00 -1.44 -0.20 0.00 -0.39 0.00 0.00 64.86 62.83 1tug h ILE 293 Cb 0.40 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1tug h ILE 293 CO 0.01 0.44 -0.72 -0.26 -0.69 0.00 0.00 178.15 176.94 1tug h PHE 294 N 0.23 0.83 -0.81 1.37 0.04 -1.66 0.17 116.94 117.12 1tug h PHE 294 Ca 0.03 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.43 1tug h PHE 294 Cb 0.82 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 1tug h PHE 294 CO 0.08 1.15 0.46 0.00 -0.60 0.00 0.00 178.31 179.40 1tug h ALA 295 N 0.76 1.03 -0.14 2.45 0.00 -1.23 -0.96 119.26 121.17 1tug h ALA 295 Ca -0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1tug h ALA 295 Cb 1.32 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1tug h ALA 295 CO 0.14 0.53 -0.73 0.00 0.00 0.00 0.00 179.25 179.19 1tug h ARG 296 N 1.11 0.65 -0.79 0.00 3.08 -1.25 -2.66 114.38 114.52 1tug h ARG 296 Ca 0.29 -0.51 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1tug h ARG 296 Cb 0.01 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1tug h ARG 296 CO -0.05 1.13 0.39 1.96 -1.07 0.00 0.00 179.97 182.33 1tug h GLN 297 N 0.45 1.12 -0.57 0.04 4.20 -0.50 -2.54 115.11 117.31 1tug h GLN 297 Ca -0.04 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1tug h GLN 297 Cb 1.33 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 1tug h GLN 297 CO 0.14 0.85 0.35 0.00 -0.67 0.00 0.00 178.83 179.50 1tug h ALA 298 N 1.31 0.74 -0.35 3.87 0.00 -0.99 -0.44 119.26 123.40 1tug h ALA 298 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1tug h ALA 298 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1tug h ALA 298 CO -0.04 0.08 0.11 1.25 0.00 0.00 0.00 179.25 180.65 1tug h LEU 299 N 0.69 0.50 -0.95 0.00 5.85 -1.21 -1.65 115.31 118.54 1tug h LEU 299 Ca 0.23 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1tug h LEU 299 Cb 0.01 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1tug h LEU 299 CO -0.10 0.57 0.14 -0.07 -0.34 0.00 0.00 178.44 178.65 1tug h LEU 300 N 0.41 0.85 0.10 2.25 3.38 -1.08 -1.68 115.31 119.54 1tug h LEU 300 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1tug h LEU 300 Cb 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1tug h LEU 300 CO -0.00 0.83 -0.05 0.00 0.09 0.00 0.00 178.44 179.30 1tug h ALA 301 N 1.28 -0.14 -0.58 1.53 0.00 -0.95 -2.28 119.26 118.12 1tug h ALA 301 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1tug h ALA 301 Cb 0.31 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1tug h ALA 301 CO -0.00 -0.41 0.26 -0.07 0.00 0.00 0.00 179.25 179.03 1tug h LEU 302 N -0.49 0.32 -0.52 0.00 4.07 -1.17 0.64 115.31 118.17 1tug h LEU 302 Ca -0.01 0.05 -0.16 0.00 0.08 0.00 0.00 57.88 57.84 1tug h LEU 302 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1tug h LEU 302 CO 0.02 0.21 -0.70 0.58 -1.08 0.00 0.00 178.44 177.47 1tug h VAL 303 N 0.48 1.43 -0.01 1.22 2.07 -1.36 -2.96 116.25 117.12 1tug h VAL 303 Ca 0.28 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1tug h VAL 303 Cb 0.27 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1tug h VAL 303 CO -0.24 0.65 -0.25 0.18 0.02 0.00 0.00 177.57 177.93 1tug n LEU 304 N -3.79 1.66 -4.24 2.57 4.77 -0.86 -1.10 117.00 116.02 1tug n LEU 304 Ca -0.03 -0.81 -0.32 0.00 -0.03 0.00 0.00 56.01 54.83 1tug n LEU 304 Cb 0.69 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.61 1tug n LEU 304 CO 0.46 0.32 -0.54 0.20 -1.33 0.00 0.00 177.39 176.49 1tug s ASN 305 N -1.70 3.25 0.49 -1.43 0.02 0.19 -5.01 114.94 110.75 1tug s ASN 305 Ca 0.13 -0.53 0.18 0.00 -1.02 0.00 0.00 52.86 51.62 1tug s ASN 305 Cb 0.12 -1.45 1.21 0.00 0.02 0.00 0.00 41.25 41.15 1tug s ASN 305 CO 0.34 0.15 2.07 0.08 0.02 0.00 0.00 177.10 179.76 1tug h ARG 306 N 6.81 0.00 -2.46 -0.60 0.11 -1.86 -3.43 114.38 112.96 1tug h ARG 306 Ca -0.22 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.77 1tug h ARG 306 Cb 1.23 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.11 1tug h ARG 306 CO 0.50 0.10 -0.03 0.16 0.10 0.00 0.00 179.97 180.80 1tug s ASP 307 N -6.87 -0.47 0.02 0.08 1.47 -1.26 -0.57 116.67 109.07 1tug s ASP 307 Ca -0.04 0.57 -0.17 0.00 1.18 0.00 0.00 52.55 54.09 1tug s ASP 307 Cb 0.16 0.58 -0.06 0.00 -0.34 0.00 0.00 42.92 43.26 1tug s ASP 307 CO 0.66 -0.46 0.49 -0.22 0.68 0.00 0.00 175.17 176.32 1tug s LEU 308 N -0.93 4.47 -0.74 2.11 2.96 -1.26 -5.03 118.68 120.27 1tug s LEU 308 Ca -0.10 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 1tug s LEU 308 Cb -0.03 -2.75 0.20 0.00 0.50 0.00 0.00 46.19 44.12 1tug s LEU 308 CO 0.06 0.26 0.65 0.52 -1.32 0.00 0.00 176.35 176.52 1tug n VAL 309 N 2.02 2.22 -0.59 1.68 0.31 -1.26 -5.16 118.33 117.54 1tug n VAL 309 Ca -0.11 -5.05 0.00 0.00 -0.01 0.00 0.00 64.34 59.17 1tug n VAL 309 Cb 0.51 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1tug n VAL 309 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69