#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rae s ASN 2 N 0.00 3.37 0.46 0.00 2.20 0.26 -4.91 114.94 116.31 1rae s ASN 2 Ca 0.00 1.37 0.12 0.00 -0.94 0.00 0.00 52.86 53.42 1rae s ASN 2 Cb 0.00 -2.05 1.03 0.00 -2.00 0.00 0.00 41.25 38.23 1rae s ASN 2 CO 0.00 -2.69 2.06 -0.65 -2.94 0.00 0.00 177.10 172.88 1rae h PRO 3 N -1.59 0.18 -0.02 3.55 0.11 -1.95 -2.86 132.00 129.42 1rae h PRO 3 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1rae h PRO 3 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1rae h PRO 3 CO 0.56 0.19 -0.20 1.28 -0.21 0.00 0.00 178.00 179.62 1rae n LEU 4 N -4.44 2.11 -4.66 2.35 4.77 -1.26 -4.90 117.00 110.97 1rae n LEU 4 Ca -0.01 -0.72 -0.54 0.00 -0.03 0.00 0.00 56.01 54.71 1rae n LEU 4 Cb 0.14 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1rae n LEU 4 CO 0.35 0.37 1.17 0.00 -1.33 0.00 0.00 177.39 177.95 1rae n TYR 5 N 0.38 1.88 -3.31 -1.77 9.36 -1.08 -1.57 117.16 121.05 1rae n TYR 5 Ca 0.13 0.51 -0.16 0.00 3.32 0.00 0.00 57.90 61.71 1rae n TYR 5 Cb 0.48 -2.43 -0.05 0.00 -0.63 0.00 0.00 39.34 36.71 1rae n TYR 5 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1rae n GLN 6 N 4.25 -0.95 -4.01 2.98 10.64 0.58 -4.98 117.38 125.88 1rae n GLN 6 Ca 0.22 0.05 -0.29 0.00 -1.83 0.00 0.00 57.00 55.15 1rae n GLN 6 Cb 0.18 -1.80 -0.05 0.00 -0.86 0.00 0.00 30.24 27.70 1rae n GLN 6 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1rae s LYS 7 N -4.93 3.08 0.21 2.61 2.20 -0.61 -4.78 119.74 117.52 1rae s LYS 7 Ca 0.06 -0.65 -0.24 0.00 -0.36 0.00 0.00 55.97 54.79 1rae s LYS 7 Cb -0.04 -2.82 -0.08 0.00 -1.51 0.00 0.00 37.83 33.38 1rae s LYS 7 CO 0.48 0.56 0.79 -1.01 -0.36 0.00 0.00 175.35 175.81 1rae s HIS 8 N -1.52 3.79 -0.57 4.03 3.76 -1.26 -4.75 115.29 118.77 1rae s HIS 8 Ca 0.32 1.58 0.04 0.00 -0.15 0.00 0.00 55.06 56.84 1rae s HIS 8 Cb -0.12 -2.75 0.14 0.00 1.11 0.00 0.00 32.58 30.96 1rae s HIS 8 CO 0.24 0.40 0.32 0.42 -0.85 0.00 0.00 174.74 175.28 1rae s ILE 9 N -1.36 2.76 -0.12 0.60 -1.09 -0.82 -4.87 121.20 116.30 1rae s ILE 9 Ca 0.41 -3.47 -0.03 0.00 -2.23 0.00 0.00 60.65 55.32 1rae s ILE 9 Cb -0.20 -2.88 -0.06 0.00 -1.58 0.00 0.00 42.46 37.74 1rae s ILE 9 CO 0.24 -0.85 -0.13 -0.38 -1.23 0.00 0.00 174.94 172.59 1rae n ILE 10 N 2.92 0.65 -4.19 2.92 5.41 -1.26 -1.18 119.36 124.63 1rae n ILE 10 Ca 0.08 -0.20 -0.16 0.00 1.00 0.00 0.00 62.75 63.47 1rae n ILE 10 Cb 0.33 -1.36 -0.13 0.00 -0.71 0.00 0.00 39.64 37.77 1rae n ILE 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1rae s SER 11 N -5.68 1.15 0.54 4.38 0.15 -1.26 -4.66 113.70 108.32 1rae s SER 11 Ca -0.16 -0.43 0.35 0.00 0.70 0.00 0.00 55.95 56.41 1rae s SER 11 Cb 0.05 -0.04 1.56 0.00 -1.71 0.00 0.00 66.02 65.88 1rae s SER 11 CO 0.23 -0.06 2.03 -0.29 1.20 0.00 0.00 173.24 176.36 1rae h ILE 12 N 4.59 0.00 -0.30 6.45 6.09 -1.94 -2.51 117.51 129.88 1rae h ILE 12 Ca -0.35 -0.36 -0.06 0.00 -1.37 0.00 0.00 64.86 62.72 1rae h ILE 12 Cb 1.19 1.32 -0.02 0.00 0.47 0.00 0.00 36.82 39.79 1rae h ILE 12 CO 0.44 0.00 -0.05 -1.13 -3.07 0.00 0.00 178.15 174.34 1rae h ASN 13 N 0.00 0.45 0.17 2.19 -0.00 -1.98 -2.07 115.58 114.34 1rae h ASN 13 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.21 1rae h ASN 13 Cb 0.38 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.58 1rae h ASN 13 CO 0.00 0.56 0.00 0.47 -0.00 0.00 0.00 177.43 178.46 1rae n ASP 14 N -4.26 0.00 -4.29 1.15 8.00 -0.95 -4.84 116.55 111.36 1rae n ASP 14 Ca 0.01 -0.59 -0.33 0.00 0.71 0.00 0.00 54.79 54.59 1rae n ASP 14 Cb 0.27 -0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.12 1rae n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rae s LEU 15 N -2.20 2.44 1.02 0.64 1.43 -0.78 -5.02 118.68 116.21 1rae s LEU 15 Ca 0.35 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 1rae s LEU 15 Cb 0.18 -1.53 0.20 0.00 0.03 0.00 0.00 46.19 45.08 1rae s LEU 15 CO 0.34 0.14 1.18 -0.94 0.23 0.00 0.00 176.35 177.31 1rae s SER 16 N 0.48 2.55 0.32 2.29 1.04 -1.26 -4.82 113.70 114.31 1rae s SER 16 Ca -0.12 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.00 1rae s SER 16 Cb -0.16 -0.97 0.55 0.00 0.10 0.00 0.00 66.02 65.54 1rae s SER 16 CO 0.05 -3.12 1.86 0.08 0.98 0.00 0.00 173.24 173.09 1rae h ARG 17 N -1.89 0.59 -0.54 4.02 0.11 -1.97 -1.64 114.38 113.05 1rae h ARG 17 Ca -0.47 -0.13 -0.08 0.00 0.10 0.00 0.00 59.98 59.40 1rae h ARG 17 Cb 1.29 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 1rae h ARG 17 CO 0.46 0.60 0.01 -0.44 0.10 0.00 0.00 179.97 180.70 1rae h ASP 18 N 0.56 0.92 -0.36 0.08 3.32 -1.98 -0.10 116.42 118.86 1rae h ASP 18 Ca 0.12 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 1rae h ASP 18 Cb 0.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1rae h ASP 18 CO 0.01 1.00 0.09 0.44 -1.72 0.00 0.00 179.24 179.05 1rae h ASP 19 N 0.82 0.55 -0.91 6.45 3.32 -1.67 -0.83 116.42 124.15 1rae h ASP 19 Ca 0.16 -0.23 0.11 0.00 0.02 0.00 0.00 57.03 57.08 1rae h ASP 19 Cb 0.51 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 1rae h ASP 19 CO 0.02 0.64 0.59 -0.07 -1.72 0.00 0.00 179.24 178.70 1rae h LEU 20 N 0.44 0.80 -0.62 1.55 3.38 -0.95 0.42 115.31 120.33 1rae h LEU 20 Ca 0.11 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1rae h LEU 20 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1rae h LEU 20 CO 0.00 0.46 -0.63 0.78 0.09 0.00 0.00 178.44 179.14 1rae h ASN 21 N 0.88 0.25 -0.48 -0.43 2.35 -0.01 -2.13 115.58 116.02 1rae h ASN 21 Ca 0.43 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 1rae h ASN 21 Cb 0.47 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1rae h ASN 21 CO -0.19 0.82 -0.21 0.25 -1.65 0.00 0.00 177.43 176.45 1rae h LEU 22 N 0.16 1.02 -0.15 1.61 5.85 0.37 0.21 115.31 124.39 1rae h LEU 22 Ca -0.01 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1rae h LEU 22 Cb 1.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1rae h LEU 22 CO 0.10 1.18 0.04 0.58 -0.34 0.00 0.00 178.44 180.00 1rae h VAL 23 N 0.86 1.19 0.00 1.05 2.07 -0.79 -1.54 116.25 119.10 1rae h VAL 23 Ca 0.11 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1rae h VAL 23 Cb 0.79 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1rae h VAL 23 CO 0.07 0.18 -0.35 -0.07 0.02 0.00 0.00 177.57 177.41 1rae h LEU 24 N 0.05 0.00 -0.10 2.57 4.07 -1.15 -0.45 115.31 120.29 1rae h LEU 24 Ca 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1rae h LEU 24 Cb 0.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1rae h LEU 24 CO -0.00 0.35 -0.03 0.00 -1.08 0.00 0.00 178.44 177.68 1rae h ALA 25 N 1.65 0.14 -0.09 1.53 0.00 -0.43 -3.10 119.26 118.96 1rae h ALA 25 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1rae h ALA 25 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rae h ALA 25 CO 0.05 -0.11 0.02 1.15 0.00 0.00 0.00 179.25 180.35 1rae h THR 26 N -0.13 0.97 -0.57 0.00 2.02 -0.63 -2.46 112.91 112.11 1rae h THR 26 Ca 0.03 -0.02 0.16 0.00 0.77 0.00 0.00 66.41 67.35 1rae h THR 26 Cb 0.46 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1rae h THR 26 CO 0.01 0.01 0.41 0.00 0.37 0.00 0.00 175.52 176.32 1rae h ALA 27 N 1.06 2.53 0.00 6.16 0.00 -1.19 0.18 119.26 128.00 1rae h ALA 27 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1rae h ALA 27 Cb 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rae h ALA 27 CO -0.05 -0.69 -0.87 0.00 0.00 0.00 0.00 179.25 177.64 1rae h ALA 28 N 1.72 0.53 -0.15 0.00 0.00 -1.36 -0.12 119.26 119.87 1rae h ALA 28 Ca 0.27 -0.73 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1rae h ALA 28 Cb 1.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1rae h ALA 28 CO -0.01 0.93 -0.55 0.87 0.00 0.00 0.00 179.25 180.49 1rae h LYS 29 N 0.10 0.63 -0.35 0.00 1.57 -0.49 -1.20 116.57 116.83 1rae h LYS 29 Ca -0.04 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.19 1rae h LYS 29 Cb 1.50 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 1rae h LYS 29 CO 0.13 1.10 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.99 1rae h LEU 30 N 0.30 0.54 -0.22 2.94 3.38 -0.91 0.15 115.31 121.49 1rae h LEU 30 Ca -0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1rae h LEU 30 Cb 1.18 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1rae h LEU 30 CO 0.12 0.65 0.05 0.50 0.09 0.00 0.00 178.44 179.84 1rae h LYS 31 N 0.53 0.36 -0.22 1.13 3.64 -0.96 -3.29 116.57 117.76 1rae h LYS 31 Ca 0.11 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1rae h LYS 31 Cb 0.42 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1rae h LYS 31 CO 0.02 0.49 0.05 0.00 -2.27 0.00 0.00 179.45 177.74 1rae h ALA 32 N 0.86 0.28 -2.97 5.00 0.00 -0.79 -3.42 119.26 118.23 1rae h ALA 32 Ca 0.07 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 1rae h ALA 32 Cb 0.29 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.60 1rae h ALA 32 CO 0.00 -0.07 -0.77 -0.80 0.00 0.00 0.00 179.25 177.61 1rae s ASN 33 N -5.73 3.74 0.58 0.00 0.01 0.48 -5.09 114.94 108.93 1rae s ASN 33 Ca -0.14 -1.64 -0.20 0.00 -0.71 0.00 0.00 52.86 50.17 1rae s ASN 33 Cb 0.07 -0.66 -0.03 0.00 0.41 0.00 0.00 41.25 41.04 1rae s ASN 33 CO 0.72 -0.40 1.33 -2.84 -1.51 0.00 0.00 177.10 174.40 1rae s PRO 34 N 1.65 2.92 -0.53 -0.60 0.02 -1.24 -4.36 135.00 132.85 1rae s PRO 34 Ca 0.11 2.16 0.06 0.00 0.02 0.00 0.00 61.00 63.36 1rae s PRO 34 Cb -0.18 -2.10 0.23 0.00 0.02 0.00 0.00 34.50 32.48 1rae s PRO 34 CO -0.25 -1.34 0.60 1.04 -0.33 0.00 0.00 177.00 176.71 1rae n GLN 35 N -1.37 1.54 0.00 5.54 6.02 -1.26 -5.00 117.38 122.85 1rae n GLN 35 Ca 0.12 -3.96 0.04 0.00 -0.01 0.00 0.00 57.00 53.20 1rae n GLN 35 Cb 0.46 -1.80 0.22 0.00 1.02 0.00 0.00 30.24 30.14 1rae n GLN 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1rae n PRO 36 N 1.36 0.28 -0.59 -1.09 -0.04 -1.26 -1.89 135.00 131.78 1rae n PRO 36 Ca 0.26 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1rae n PRO 36 Cb 0.46 -1.41 0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1rae n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rae n GLU 37 N -0.91 0.63 -0.23 0.54 1.02 -1.26 -2.70 120.64 117.73 1rae n GLU 37 Ca 0.06 -2.04 -0.08 0.00 -0.02 0.00 0.00 57.16 55.07 1rae n GLU 37 Cb 0.03 -0.88 0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1rae n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rae h LEU 38 N 0.36 1.04 -3.43 -4.62 5.85 -1.33 -3.11 115.31 110.07 1rae h LEU 38 Ca -0.05 -0.26 -0.19 0.00 0.84 0.00 0.00 57.88 58.22 1rae h LEU 38 Cb 1.32 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.96 1rae h LEU 38 CO 0.02 1.04 0.04 0.18 -0.34 0.00 0.00 178.44 179.37 1rae n LEU 39 N -4.24 4.47 -4.67 2.25 4.77 0.10 -4.99 117.00 114.69 1rae n LEU 39 Ca 0.04 -3.60 -0.45 0.00 -0.03 0.00 0.00 56.01 51.97 1rae n LEU 39 Cb 0.29 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1rae n LEU 39 CO 0.43 1.11 1.02 1.17 -1.33 0.00 0.00 177.39 179.79 1rae n LYS 40 N -0.98 2.04 -0.97 3.23 4.81 -1.18 -0.76 118.16 124.35 1rae n LYS 40 Ca 0.35 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1rae n LYS 40 Cb 1.10 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1rae n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1rae n HIS 41 N 1.92 0.00 -3.68 5.64 8.25 -1.26 -5.01 115.22 121.08 1rae n HIS 41 Ca 0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.25 1rae n HIS 41 Cb 0.31 -0.36 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 1rae n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1rae s LYS 42 N -0.33 3.63 -0.17 -0.41 -0.14 0.06 -5.00 119.74 117.38 1rae s LYS 42 Ca 0.00 -0.05 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 1rae s LYS 42 Cb 0.00 -2.93 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 1rae s LYS 42 CO 0.00 0.53 -0.18 0.08 -0.76 0.00 0.00 175.35 175.02 1rae s VAL 43 N -1.53 2.31 -0.01 3.17 1.01 -1.26 -1.24 120.40 122.85 1rae s VAL 43 Ca 0.36 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1rae s VAL 43 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1rae s VAL 43 CO 0.22 0.52 0.11 -0.63 0.00 0.00 0.00 175.10 175.32 1rae s ILE 44 N 1.16 4.96 -0.20 2.22 1.09 -0.48 -1.23 121.20 128.72 1rae s ILE 44 Ca 0.01 -0.30 -0.10 0.00 -1.10 0.00 0.00 60.65 59.17 1rae s ILE 44 Cb -0.14 -3.27 -0.05 0.00 -1.06 0.00 0.00 42.46 37.94 1rae s ILE 44 CO -0.08 0.37 0.13 0.00 -0.10 0.00 0.00 174.94 175.26 1rae s ALA 45 N -1.21 3.68 -0.84 9.38 0.00 -0.90 -1.51 121.76 130.35 1rae s ALA 45 Ca 0.23 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1rae s ALA 45 Cb -0.12 -2.18 0.21 0.00 0.00 0.00 0.00 23.12 21.03 1rae s ALA 45 CO 0.14 0.12 0.73 0.45 0.00 0.00 0.00 175.76 177.21 1rae s SER 46 N 0.43 6.05 -1.17 0.00 0.15 0.50 -2.20 113.70 117.47 1rae s SER 46 Ca 0.08 -3.34 -0.17 0.00 0.70 0.00 0.00 55.95 53.22 1rae s SER 46 Cb -0.11 -1.97 0.12 0.00 -1.71 0.00 0.00 66.02 62.35 1rae s SER 46 CO -0.01 -0.30 1.48 0.00 1.20 0.00 0.00 173.24 175.61 1rae s PHE 48 N 2.95 3.32 0.05 0.00 0.40 -0.33 -2.63 117.98 121.74 1rae s PHE 48 Ca 0.45 -1.63 0.32 0.00 -0.60 0.00 0.00 56.93 55.47 1rae s PHE 48 Cb -0.01 -4.18 1.51 0.00 0.51 0.00 0.00 43.02 40.86 1rae s PHE 48 CO -0.00 -1.36 1.96 0.74 0.70 0.00 0.00 175.22 177.26 1rae h PHE 49 N 8.38 0.00 -3.84 0.36 -1.00 -0.95 -1.11 116.94 118.78 1rae h PHE 49 Ca 0.17 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.27 1rae h PHE 49 Cb 1.01 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 40.25 1rae h PHE 49 CO 1.12 0.00 -0.88 -2.00 -1.61 0.00 0.00 178.31 174.94 1rae s GLU 50 N -3.68 2.60 0.09 1.51 2.12 -1.06 -4.21 118.70 116.06 1rae s GLU 50 Ca -0.00 -0.87 -0.22 0.00 0.36 0.00 0.00 54.97 54.24 1rae s GLU 50 Cb 0.10 -2.14 -0.07 0.00 0.26 0.00 0.00 34.13 32.28 1rae s GLU 50 CO 0.41 0.32 0.65 0.00 -0.54 0.00 0.00 175.26 176.10 1rae s ALA 51 N -0.02 3.51 -0.37 6.30 0.00 -1.26 -4.81 121.76 125.12 1rae s ALA 51 Ca -0.07 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1rae s ALA 51 Cb -0.15 -2.78 0.16 0.00 0.00 0.00 0.00 23.12 20.36 1rae s ALA 51 CO 0.05 0.30 0.45 0.45 0.00 0.00 0.00 175.76 177.01 1rae s SER 52 N -0.89 0.35 0.12 0.00 0.15 -1.26 -5.08 113.70 107.09 1rae s SER 52 Ca 0.32 -1.18 -0.30 0.00 0.70 0.00 0.00 55.95 55.49 1rae s SER 52 Cb -0.20 1.01 -0.08 0.00 -1.71 0.00 0.00 66.02 65.03 1rae s SER 52 CO 0.21 -0.25 1.59 0.74 1.20 0.00 0.00 173.24 176.73 1rae h THR 53 N 5.23 0.16 -0.43 6.45 2.02 -1.98 -0.77 112.91 123.58 1rae h THR 53 Ca 0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.29 1rae h THR 53 Cb 1.10 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1rae h THR 53 CO 0.19 0.00 0.29 0.03 0.37 0.00 0.00 175.52 176.40 1rae h ARG 54 N -0.58 0.23 0.13 6.66 3.08 -1.99 -0.28 114.38 121.64 1rae h ARG 54 Ca 0.04 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.77 1rae h ARG 54 Cb 0.65 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1rae h ARG 54 CO -0.30 0.16 -1.48 1.15 -1.07 0.00 0.00 179.97 178.42 1rae h THR 55 N 0.24 1.22 0.27 2.04 2.02 -1.95 -2.82 112.91 113.93 1rae h THR 55 Ca 0.19 -2.83 -0.01 0.00 0.77 0.00 0.00 66.41 64.53 1rae h THR 55 Cb 0.46 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 1rae h THR 55 CO -0.04 0.83 -0.13 -0.09 0.37 0.00 0.00 175.52 176.47 1rae h ARG 56 N 0.08 -0.35 -0.75 6.66 2.43 -0.73 -2.55 114.38 119.16 1rae h ARG 56 Ca -0.23 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1rae h ARG 56 Cb 2.02 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 31.60 1rae h ARG 56 CO 0.18 -0.00 0.49 -0.07 -1.51 0.00 0.00 179.97 179.06 1rae h LEU 57 N -0.82 0.60 -0.63 3.80 3.38 -1.19 -0.90 115.31 119.55 1rae h LEU 57 Ca -0.04 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1rae h LEU 57 Cb 0.51 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1rae h LEU 57 CO 0.06 0.36 0.10 -1.28 0.09 0.00 0.00 178.44 177.76 1rae h SER 58 N 0.66 1.01 0.01 -0.43 0.87 -1.43 -1.94 113.55 112.30 1rae h SER 58 Ca 0.35 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1rae h SER 58 Cb 0.46 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1rae h SER 58 CO -0.13 1.02 -0.01 -0.26 -0.53 0.00 0.00 176.83 176.93 1rae h PHE 59 N 0.96 -0.02 -0.35 2.24 0.04 -0.89 -0.33 116.94 118.60 1rae h PHE 59 Ca 0.19 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.89 1rae h PHE 59 Cb 0.44 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1rae h PHE 59 CO 0.03 0.42 -0.07 0.93 -0.60 0.00 0.00 178.31 179.02 1rae h GLU 60 N -0.45 0.57 -0.44 1.51 5.08 -1.23 -0.34 114.58 119.28 1rae h GLU 60 Ca -0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1rae h GLU 60 Cb 0.44 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1rae h GLU 60 CO 0.00 0.64 -0.03 1.15 -1.00 0.00 0.00 179.01 179.78 1rae h THR 61 N 0.54 1.27 -0.60 1.13 2.02 -1.29 -0.16 112.91 115.81 1rae h THR 61 Ca 0.10 -1.09 0.11 0.00 0.77 0.00 0.00 66.41 66.30 1rae h THR 61 Cb 0.44 1.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 1rae h THR 61 CO 0.02 0.37 0.15 0.28 0.37 0.00 0.00 175.52 176.72 1rae h SER 62 N 0.64 0.05 0.01 4.18 0.02 -0.27 0.02 113.55 118.19 1rae h SER 62 Ca 0.12 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1rae h SER 62 Cb 0.54 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1rae h SER 62 CO 0.03 0.03 -0.03 0.24 -1.14 0.00 0.00 176.83 175.96 1rae h MET 63 N 0.29 -0.06 -0.06 3.45 2.07 -0.78 -2.82 114.93 117.02 1rae h MET 63 Ca 0.31 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.82 1rae h MET 63 Cb 0.45 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.18 1rae h MET 63 CO -0.38 -0.04 -0.53 0.45 1.07 0.00 0.00 176.91 177.48 1rae h HIS 64 N -0.06 0.19 0.00 -0.22 3.86 -0.56 -1.74 115.15 116.62 1rae h HIS 64 Ca 0.01 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1rae h HIS 64 Cb 0.07 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1rae h HIS 64 CO -0.10 0.66 0.00 0.54 0.86 0.00 0.00 177.93 179.88 1rae n ARG 65 N -3.92 0.09 -0.30 2.45 1.74 -0.05 -1.28 116.66 115.39 1rae n ARG 65 Ca -0.02 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 1rae n ARG 65 Cb 0.56 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.71 1rae n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rae n LEU 66 N -1.42 3.42 0.00 0.55 4.77 -0.76 -4.00 117.00 119.57 1rae n LEU 66 Ca 0.05 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.76 1rae n LEU 66 Cb 0.17 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1rae n LEU 66 CO 0.14 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1rae n GLY 67 N 0.44 0.69 3.90 -0.72 0.00 -0.40 0.03 105.19 109.12 1rae n GLY 67 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1rae n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rae s ALA 68 N -2.51 2.96 0.40 4.61 0.00 -0.73 -4.18 121.76 122.31 1rae s ALA 68 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1rae s ALA 68 Cb 0.00 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 1rae s ALA 68 CO 0.00 -1.22 0.61 -1.12 0.00 0.00 0.00 175.76 174.02 1rae s SER 69 N -4.43 6.00 -0.03 0.00 0.01 -0.37 -4.36 113.70 110.53 1rae s SER 69 Ca 0.58 0.28 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1rae s SER 69 Cb -0.11 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1rae s SER 69 CO 0.49 -0.53 0.01 -0.69 0.41 0.00 0.00 173.24 172.93 1rae s VAL 70 N -2.43 0.07 0.22 3.43 1.01 -1.26 -1.38 120.40 120.06 1rae s VAL 70 Ca 0.45 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.69 1rae s VAL 70 Cb -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1rae s VAL 70 CO 0.36 0.12 -0.21 0.68 0.00 0.00 0.00 175.10 176.06 1rae s VAL 71 N 1.07 2.23 -3.39 2.92 -7.23 -0.57 -4.97 120.40 110.47 1rae s VAL 71 Ca -0.09 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1rae s VAL 71 Cb -0.13 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1rae s VAL 71 CO -0.02 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1rae n GLY 72 N -0.07 -0.53 3.80 2.32 0.00 -1.26 -0.37 105.19 109.08 1rae n GLY 72 Ca -0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.05 1rae n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rae s PHE 73 N -3.25 -0.01 -0.06 1.61 -0.12 -0.49 -4.89 117.98 110.76 1rae s PHE 73 Ca 0.00 -0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 56.61 1rae s PHE 73 Cb 0.00 0.62 0.04 0.00 -0.63 0.00 0.00 43.02 43.05 1rae s PHE 73 CO 0.00 -0.62 0.12 0.45 -0.05 0.00 0.00 175.22 175.12 1rae s SER 74 N -3.26 0.27 -0.96 1.98 0.15 -1.25 -1.18 113.70 109.45 1rae s SER 74 Ca 0.19 0.25 -0.02 0.00 0.70 0.00 0.00 55.95 57.06 1rae s SER 74 Cb -0.00 0.14 0.28 0.00 -1.71 0.00 0.00 66.02 64.73 1rae s SER 74 CO 0.01 -0.18 1.15 -0.67 1.20 0.00 0.00 173.24 174.75 1rae n ASP 75 N 4.61 5.33 -4.72 5.45 -0.08 -0.42 -4.83 116.55 121.90 1rae n ASP 75 Ca -0.19 -3.32 -0.39 0.00 -1.51 0.00 0.00 54.79 49.39 1rae n ASP 75 Cb 0.51 -1.12 -0.05 0.00 2.34 0.00 0.00 41.12 42.80 1rae n ASP 75 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1rae s SER 76 N -1.21 6.84 -0.25 1.67 0.15 -1.26 -4.61 113.70 115.02 1rae s SER 76 Ca 0.32 1.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 1rae s SER 76 Cb 0.03 -2.35 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 1rae s SER 76 CO 0.01 -0.07 0.10 0.00 1.20 0.00 0.00 173.24 174.49 1rae n ALA 77 N 3.76 -1.29 -2.85 5.45 0.00 -1.26 -4.73 120.51 119.59 1rae n ALA 77 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rae n ALA 77 Cb 0.51 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1rae n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rae n ASN 78 N 0.18 0.73 0.00 0.00 2.85 -1.26 -5.15 115.26 112.61 1rae n ASN 78 Ca -0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1rae n ASN 78 Cb 0.12 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.14 1rae n ASN 78 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1rae n THR 79 N 0.00 0.00 0.00 -0.44 -1.04 -1.26 -4.89 114.28 106.65 1rae n THR 79 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1rae n THR 79 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1rae n THR 79 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1rae n SER 80 N 0.87 0.00 -4.81 8.00 7.64 -1.26 -4.86 113.62 119.20 1rae n SER 80 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1rae n SER 80 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1rae n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1rae s LEU 81 N -6.01 4.30 0.00 -3.43 2.01 -1.26 -2.29 118.68 112.00 1rae s LEU 81 Ca 0.00 1.48 0.00 0.00 0.01 0.00 0.00 54.13 55.62 1rae s LEU 81 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 46.19 42.47 1rae s LEU 81 CO 0.00 -0.02 0.00 0.61 1.01 0.00 0.00 176.35 177.95 1rae n GLY 82 N 0.55 2.27 5.14 -3.19 0.00 -1.26 -4.97 105.19 103.73 1rae n GLY 82 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1rae n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rae n LYS 83 N 0.00 0.00 0.00 1.61 4.81 -0.97 -2.33 118.16 121.28 1rae n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1rae n LYS 83 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1rae n LYS 83 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1rae n LYS 84 N 0.00 0.00 0.00 1.64 3.00 -1.26 -4.93 118.16 116.61 1rae n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1rae n LYS 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1rae n LYS 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rae n GLY 85 N 0.00 2.84 3.43 3.14 0.00 -1.26 -4.94 105.19 108.40 1rae n GLY 85 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1rae n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rae s GLU 86 N -0.11 3.12 0.64 1.61 -6.30 -0.98 -5.03 118.70 111.65 1rae s GLU 86 Ca 0.00 -1.06 -0.18 0.00 -2.50 0.00 0.00 54.97 51.23 1rae s GLU 86 Cb 0.00 -4.29 -0.02 0.00 0.00 0.00 0.00 34.13 29.82 1rae s GLU 86 CO 0.00 -1.73 1.12 0.25 0.02 0.00 0.00 175.26 174.92 1rae n THR 87 N 5.76 4.23 -0.12 -1.70 -2.24 -1.26 -4.04 114.28 114.91 1rae n THR 87 Ca -0.04 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 1rae n THR 87 Cb 0.45 -1.30 0.02 0.00 -2.10 0.00 0.00 70.33 67.40 1rae n THR 87 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rae h LEU 88 N 0.38 0.23 -1.15 3.22 5.85 -1.96 -2.15 115.31 119.74 1rae h LEU 88 Ca -0.50 0.03 0.24 0.00 0.84 0.00 0.00 57.88 58.50 1rae h LEU 88 Cb 1.35 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 1rae h LEU 88 CO 0.51 0.17 0.63 0.00 -0.34 0.00 0.00 178.44 179.41 1rae h ALA 89 N 1.22 1.95 0.00 1.25 0.00 -1.94 -0.62 119.26 121.11 1rae h ALA 89 Ca 0.17 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1rae h ALA 89 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rae h ALA 89 CO -0.14 -0.38 -0.51 -0.44 0.00 0.00 0.00 179.25 177.78 1rae h ASP 90 N 0.54 0.00 0.07 0.00 5.19 -1.81 -1.79 116.42 118.61 1rae h ASP 90 Ca 0.61 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 57.02 1rae h ASP 90 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1rae h ASP 90 CO -0.39 0.43 -0.03 0.74 -3.12 0.00 0.00 179.24 176.87 1rae h THR 91 N 0.00 1.16 0.48 0.35 2.02 -0.53 -2.03 112.91 114.36 1rae h THR 91 Ca -0.01 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1rae h THR 91 Cb 1.34 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1rae h THR 91 CO 0.05 0.20 -0.23 0.40 0.37 0.00 0.00 175.52 176.32 1rae h ILE 92 N -0.46 0.52 -0.99 3.11 1.08 -1.29 0.23 117.51 119.71 1rae h ILE 92 Ca -0.01 -0.16 0.29 0.00 -0.39 0.00 0.00 64.86 64.59 1rae h ILE 92 Cb 0.40 0.60 -0.14 0.00 -3.07 0.00 0.00 36.82 34.60 1rae h ILE 92 CO 0.02 0.03 0.54 0.28 -0.69 0.00 0.00 178.15 178.32 1rae h SER 93 N -0.74 0.49 0.01 1.72 0.02 -1.40 0.63 113.55 114.29 1rae h SER 93 Ca -0.07 0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1rae h SER 93 Cb 0.54 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1rae h SER 93 CO 0.11 -0.08 -0.12 0.58 -1.14 0.00 0.00 176.83 176.17 1rae h VAL 94 N 0.37 1.69 0.00 2.27 2.07 -0.79 -3.35 116.25 118.52 1rae h VAL 94 Ca 0.69 -2.19 -0.07 0.00 0.82 0.00 0.00 66.70 65.95 1rae h VAL 94 Cb 1.50 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 34.43 1rae h VAL 94 CO -0.58 0.58 -0.34 0.40 0.02 0.00 0.00 177.57 177.64 1rae h ILE 95 N -0.81 1.09 0.00 4.57 2.04 0.15 -1.73 117.51 122.82 1rae h ILE 95 Ca -0.02 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1rae h ILE 95 Cb 1.02 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1rae h ILE 95 CO 0.02 0.34 0.00 -1.54 0.00 0.00 0.00 178.15 176.97 1rae n SER 96 N -3.90 0.00 0.01 1.72 3.41 0.20 -0.77 113.62 114.29 1rae n SER 96 Ca -0.02 -1.20 0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1rae n SER 96 Cb 0.41 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1rae n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rae n THR 97 N -0.63 0.09 -0.05 6.66 -2.24 -0.65 -4.59 114.28 112.87 1rae n THR 97 Ca 0.04 -0.39 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 1rae n THR 97 Cb 0.02 0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.27 1rae n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1rae n TYR 98 N -2.14 0.87 -3.96 4.78 4.01 0.05 -5.05 117.16 115.71 1rae n TYR 98 Ca -0.01 0.23 -0.25 0.00 -0.16 0.00 0.00 57.90 57.70 1rae n TYR 98 Cb 0.51 -1.11 -0.04 0.00 -0.31 0.00 0.00 39.34 38.40 1rae n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1rae s VAL 99 N -2.51 2.03 -0.08 -0.72 -7.23 -1.08 -4.99 120.40 105.81 1rae s VAL 99 Ca -0.27 -1.57 0.22 0.00 -1.81 0.00 0.00 61.98 58.55 1rae s VAL 99 Cb 0.08 -2.59 -0.33 0.00 0.56 0.00 0.00 36.38 34.09 1rae s VAL 99 CO 0.68 0.00 0.50 0.47 -0.31 0.00 0.00 175.10 176.44 1rae n ASP 100 N -1.52 0.08 -3.59 4.85 8.00 -0.36 -4.89 116.55 119.12 1rae n ASP 100 Ca -0.02 -0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1rae n ASP 100 Cb 0.64 1.94 -0.05 0.00 -0.02 0.00 0.00 41.12 43.63 1rae n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rae s ALA 101 N -3.48 -1.26 -0.15 2.24 0.00 -1.24 -4.38 121.76 113.49 1rae s ALA 101 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1rae s ALA 101 Cb 0.14 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.66 1rae s ALA 101 CO 0.90 -0.49 -0.11 0.42 0.00 0.00 0.00 175.76 176.48 1rae s ILE 102 N -2.44 1.37 -0.21 0.00 1.01 -0.66 -2.13 121.20 118.15 1rae s ILE 102 Ca -0.05 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 1rae s ILE 102 Cb -0.01 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1rae s ILE 102 CO -0.02 0.35 0.21 -0.69 0.00 0.00 0.00 174.94 174.79 1rae s VAL 103 N 1.55 5.34 0.01 2.92 1.01 -0.93 -0.28 120.40 130.02 1rae s VAL 103 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1rae s VAL 103 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1rae s VAL 103 CO -0.09 0.36 -0.03 0.00 0.00 0.00 0.00 175.10 175.34 1rae s MET 104 N 0.84 0.23 -0.06 2.72 0.00 -0.40 -2.31 119.30 120.33 1rae s MET 104 Ca 0.11 -0.39 0.03 0.00 0.00 0.00 0.00 55.69 55.44 1rae s MET 104 Cb -0.13 -0.00 0.01 0.00 0.00 0.00 0.00 34.83 34.70 1rae s MET 104 CO 0.03 -0.01 -0.14 0.50 0.00 0.00 0.00 175.02 175.40 1rae s ARG 105 N -0.89 1.74 -0.01 3.16 3.52 -1.08 -1.07 118.95 124.32 1rae s ARG 105 Ca -0.09 -0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 54.97 1rae s ARG 105 Cb -0.06 -1.46 -0.00 0.00 -1.56 0.00 0.00 34.95 31.87 1rae s ARG 105 CO -0.00 0.12 0.09 -1.58 -0.81 0.00 0.00 175.30 173.12 1rae s HIS 106 N 0.37 0.04 -1.04 5.12 2.46 -0.60 -0.32 115.29 121.31 1rae s HIS 106 Ca -0.10 -0.08 0.19 0.00 0.47 0.00 0.00 55.06 55.54 1rae s HIS 106 Cb -0.14 -0.05 0.83 0.00 -0.13 0.00 0.00 32.58 33.09 1rae s HIS 106 CO 0.03 -0.18 1.61 -0.35 -2.47 0.00 0.00 174.74 173.38 1rae n PRO 107 N 2.03 0.03 -4.39 2.88 -0.04 -1.26 -2.06 135.00 132.19 1rae n PRO 107 Ca -0.19 0.17 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 1rae n PRO 107 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1rae n PRO 107 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1rae s GLN 108 N -2.96 2.54 0.46 0.54 -0.21 -1.26 -3.86 119.66 114.91 1rae s GLN 108 Ca 0.10 -0.75 -0.22 0.00 0.02 0.00 0.00 55.36 54.52 1rae s GLN 108 Cb 0.13 -2.51 -0.08 0.00 1.00 0.00 0.00 33.01 31.55 1rae s GLN 108 CO 0.34 0.59 1.09 -1.21 -2.12 0.00 0.00 175.29 173.99 1rae s GLU 109 N -1.58 3.83 0.00 2.91 8.01 -1.26 -3.14 118.70 127.46 1rae s GLU 109 Ca 0.18 1.57 0.00 0.00 0.01 0.00 0.00 54.97 56.73 1rae s GLU 109 Cb -0.11 -2.31 0.00 0.00 -4.31 0.00 0.00 34.13 27.40 1rae s GLU 109 CO 0.09 -0.45 0.00 0.41 0.01 0.00 0.00 175.26 175.33 1rae n GLY 110 N 0.20 1.37 0.35 -1.39 0.00 -1.26 -4.89 105.19 99.57 1rae n GLY 110 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1rae n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rae h ALA 111 N 0.00 1.72 -0.37 4.61 0.00 -1.91 0.19 119.26 123.50 1rae h ALA 111 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1rae h ALA 111 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1rae h ALA 111 CO 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 179.25 179.01 1rae h ALA 112 N 1.61 0.60 -0.51 0.00 0.00 -1.90 -1.34 119.26 117.71 1rae h ALA 112 Ca 0.32 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1rae h ALA 112 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1rae h ALA 112 CO -0.11 0.68 0.00 -0.09 0.00 0.00 0.00 179.25 179.73 1rae h ARG 113 N 0.73 0.90 -0.52 0.00 2.43 -1.58 -2.10 114.38 114.25 1rae h ARG 113 Ca 0.06 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 58.98 1rae h ARG 113 Cb 0.99 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 1rae h ARG 113 CO 0.10 0.93 0.28 1.25 -1.51 0.00 0.00 179.97 181.01 1rae h LEU 114 N 0.77 0.41 -0.26 3.80 6.46 -0.50 -3.02 115.31 122.96 1rae h LEU 114 Ca 0.14 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1rae h LEU 114 Cb 0.52 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.33 1rae h LEU 114 CO 0.03 0.28 -0.21 0.00 -0.62 0.00 0.00 178.44 177.92 1rae h ALA 115 N 1.27 -0.05 -1.65 1.25 0.00 -0.60 -0.67 119.26 118.82 1rae h ALA 115 Ca 0.23 0.09 0.48 0.00 0.00 0.00 0.00 54.91 55.70 1rae h ALA 115 Cb 0.12 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1rae h ALA 115 CO -0.15 -0.62 1.22 2.41 0.00 0.00 0.00 179.25 182.11 1rae n THR 116 N -5.36 0.00 1.36 0.00 -1.04 -0.88 -0.29 114.28 108.07 1rae n THR 116 Ca -0.00 1.27 0.13 0.00 -2.04 0.00 0.00 64.05 63.41 1rae n THR 116 Cb 0.27 -2.14 0.42 0.00 -1.82 0.00 0.00 70.33 67.06 1rae n THR 116 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1rae n GLU 117 N -3.60 1.64 0.00 -2.82 1.02 -0.26 -3.84 120.64 112.79 1rae n GLU 117 Ca 0.37 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1rae n GLU 117 Cb 1.72 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1rae n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1rae n PHE 118 N 0.25 0.00 1.46 -0.32 3.72 0.61 -4.82 117.46 118.36 1rae n PHE 118 Ca 0.17 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.59 1rae n PHE 118 Cb 0.40 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.08 1rae n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1rae n SER 119 N -0.88 0.00 0.00 4.37 3.41 -0.30 -4.24 113.62 115.98 1rae n SER 119 Ca 0.00 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1rae n SER 119 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1rae n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rae n GLY 120 N 0.28 2.46 0.71 5.00 0.00 -1.26 -1.11 105.19 111.27 1rae n GLY 120 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1rae n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rae n ASN 121 N 10.06 1.90 -4.70 1.61 0.23 -1.26 -4.96 115.26 118.13 1rae n ASN 121 Ca 0.00 -3.86 -0.40 0.00 -0.53 0.00 0.00 54.58 49.79 1rae n ASN 121 Cb 0.00 -0.55 -0.05 0.00 -2.08 0.00 0.00 39.78 37.10 1rae n ASN 121 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1rae s VAL 122 N -3.23 5.05 0.37 3.53 1.01 -0.27 -5.04 120.40 121.82 1rae s VAL 122 Ca 0.39 1.29 -0.27 0.00 0.00 0.00 0.00 61.98 63.40 1rae s VAL 122 Cb 0.38 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 1rae s VAL 122 CO -0.05 0.20 1.21 -2.84 0.00 0.00 0.00 175.10 173.62 1rae s PRO 123 N 1.24 4.19 -0.01 2.72 0.02 -1.26 -4.74 135.00 137.16 1rae s PRO 123 Ca 0.33 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.41 1rae s PRO 123 Cb -0.17 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.48 1rae s PRO 123 CO 0.14 -0.24 -0.25 0.14 -0.33 0.00 0.00 177.00 176.45 1rae s VAL 124 N -1.29 2.01 -0.10 3.83 -7.23 -1.26 -1.65 120.40 114.72 1rae s VAL 124 Ca 0.53 -1.14 0.04 0.00 -1.81 0.00 0.00 61.98 59.60 1rae s VAL 124 Cb -0.34 -1.68 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 1rae s VAL 124 CO 0.44 0.52 -0.23 -0.76 -0.31 0.00 0.00 175.10 174.76 1rae s LEU 125 N -0.73 2.17 -0.24 1.32 1.02 0.61 -1.95 118.68 120.89 1rae s LEU 125 Ca 0.10 -0.52 -0.23 0.00 0.02 0.00 0.00 54.13 53.50 1rae s LEU 125 Cb -0.10 -1.43 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 1rae s LEU 125 CO -0.00 0.17 0.77 0.21 0.02 0.00 0.00 176.35 177.52 1rae s ASN 126 N 0.26 6.77 0.00 2.29 2.47 -0.32 -1.27 114.94 125.14 1rae s ASN 126 Ca -0.16 0.96 0.20 0.00 0.42 0.00 0.00 52.86 54.28 1rae s ASN 126 Cb -0.17 -2.41 0.42 0.00 -1.45 0.00 0.00 41.25 37.64 1rae s ASN 126 CO 0.08 -0.46 1.36 0.00 -3.72 0.00 0.00 177.10 174.35 1rae n ALA 127 N 5.82 2.37 0.00 1.71 0.00 -0.23 -4.34 120.51 125.84 1rae n ALA 127 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1rae n ALA 127 Cb 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1rae n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rae n GLY 128 N 1.29 4.29 2.47 0.00 0.00 -1.25 -4.77 105.19 107.23 1rae n GLY 128 Ca 0.18 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 1rae n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rae s ASP 129 N 0.00 3.06 1.44 1.61 -4.77 -1.07 -1.55 116.67 115.38 1rae s ASP 129 Ca 0.00 -2.04 0.00 0.00 -3.30 0.00 0.00 52.55 47.21 1rae s ASP 129 Cb 0.00 -0.39 0.00 0.00 -1.09 0.00 0.00 42.92 41.44 1rae s ASP 129 CO 0.00 -0.33 0.00 0.61 0.70 0.00 0.00 175.17 176.15 1rae n GLY 130 N 4.24 2.66 1.68 2.12 0.00 -0.87 -1.09 105.19 113.93 1rae n GLY 130 Ca 0.09 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.80 1rae n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rae n SER 131 N 4.29 4.84 0.00 1.61 3.41 -1.26 -4.74 113.62 121.77 1rae n SER 131 Ca 0.00 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 55.50 1rae n SER 131 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1rae n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rae n ASN 132 N -0.01 0.00 -4.16 4.04 5.15 -0.25 -4.88 115.26 115.15 1rae n ASN 132 Ca 0.32 0.10 -0.15 0.00 -0.60 0.00 0.00 54.58 54.25 1rae n ASN 132 Cb 1.20 -0.24 -0.11 0.00 -0.53 0.00 0.00 39.78 40.10 1rae n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rae s GLN 133 N -0.48 0.81 -0.46 1.20 -1.52 -1.26 -4.93 119.66 113.02 1rae s GLN 133 Ca 0.00 -1.07 0.07 0.00 -1.95 0.00 0.00 55.36 52.40 1rae s GLN 133 Cb 0.00 -0.56 0.28 0.00 -0.22 0.00 0.00 33.01 32.51 1rae s GLN 133 CO 0.00 0.10 0.91 1.58 -0.25 0.00 0.00 175.29 177.63 1rae n HIS 134 N 0.80 -2.50 -0.33 0.91 -0.00 -1.26 -2.59 115.22 110.25 1rae n HIS 134 Ca -0.18 -2.30 0.11 0.00 -0.00 0.00 0.00 57.72 55.36 1rae n HIS 134 Cb 0.57 1.18 0.32 0.00 -0.00 0.00 0.00 29.99 32.05 1rae n HIS 134 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1rae h PRO 135 N 3.55 0.78 0.00 1.57 0.11 -1.83 -1.69 132.00 134.49 1rae h PRO 135 Ca -0.08 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1rae h PRO 135 Cb 1.03 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1rae h PRO 135 CO 0.29 0.52 0.00 1.79 -0.21 0.00 0.00 178.00 180.39 1rae h THR 136 N 0.80 0.00 -0.04 -1.15 1.35 -1.96 -0.69 112.91 111.23 1rae h THR 136 Ca 0.52 -0.41 -0.09 0.00 -0.55 0.00 0.00 66.41 65.88 1rae h THR 136 Cb 0.75 1.35 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1rae h THR 136 CO -0.29 0.00 -0.32 -0.61 -0.25 0.00 0.00 175.52 174.05 1rae h GLN 137 N 0.00 0.28 -0.62 4.72 5.75 -1.68 -2.79 115.11 120.78 1rae h GLN 137 Ca 0.00 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.24 1rae h GLN 137 Cb 0.44 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1rae h GLN 137 CO 0.00 0.93 0.35 1.15 -2.65 0.00 0.00 178.83 178.61 1rae h THR 138 N -0.27 1.19 -0.74 2.39 2.02 -1.35 0.51 112.91 116.66 1rae h THR 138 Ca -0.03 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1rae h THR 138 Cb 1.01 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1rae h THR 138 CO 0.07 0.20 0.49 -0.07 0.37 0.00 0.00 175.52 176.58 1rae h LEU 139 N 0.84 0.80 0.00 2.58 3.38 -1.19 0.17 115.31 121.89 1rae h LEU 139 Ca 0.22 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1rae h LEU 139 Cb 0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1rae h LEU 139 CO -0.04 0.56 -0.25 0.17 0.09 0.00 0.00 178.44 178.98 1rae h LEU 140 N 0.94 0.00 -0.07 1.67 8.10 -1.08 -1.50 115.31 123.37 1rae h LEU 140 Ca 0.29 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.23 1rae h LEU 140 Cb -0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1rae h LEU 140 CO -0.07 0.13 -0.12 0.44 -4.11 0.00 0.00 178.44 174.70 1rae h ASP 141 N 0.00 0.22 -0.44 0.17 3.32 0.99 -1.60 116.42 119.09 1rae h ASP 141 Ca -0.01 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1rae h ASP 141 Cb 1.10 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1rae h ASP 141 CO 0.02 0.73 0.28 -0.07 -1.72 0.00 0.00 179.24 178.47 1rae h LEU 142 N -0.28 0.51 -0.72 1.55 3.38 -1.13 0.29 115.31 118.90 1rae h LEU 142 Ca 0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1rae h LEU 142 Cb 0.68 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1rae h LEU 142 CO 0.03 0.38 0.40 0.15 0.09 0.00 0.00 178.44 179.48 1rae h PHE 143 N 0.59 0.73 -0.26 1.13 3.57 -1.25 0.23 116.94 121.67 1rae h PHE 143 Ca 0.16 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1rae h PHE 143 Cb -0.05 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1rae h PHE 143 CO -0.04 0.32 -0.28 1.15 -2.23 0.00 0.00 178.31 177.22 1rae h THR 144 N 0.71 1.28 -0.17 4.41 2.02 -0.20 0.48 112.91 121.44 1rae h THR 144 Ca 0.34 -1.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.08 1rae h THR 144 Cb 0.26 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1rae h THR 144 CO -0.22 0.43 -0.24 0.40 0.37 0.00 0.00 175.52 176.26 1rae h ILE 145 N 0.45 1.35 0.14 3.11 2.04 0.96 -1.93 117.51 123.63 1rae h ILE 145 Ca 0.06 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 1rae h ILE 145 Cb 0.73 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1rae h ILE 145 CO 0.06 0.44 -0.06 -0.61 0.00 0.00 0.00 178.15 177.97 1rae h GLN 146 N 0.10 -0.18 -0.16 2.37 4.15 -0.41 0.52 115.11 121.50 1rae h GLN 146 Ca 0.02 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1rae h GLN 146 Cb 0.81 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1rae h GLN 146 CO 0.06 -0.06 -0.06 1.49 -1.93 0.00 0.00 178.83 178.33 1rae h GLU 147 N -0.25 0.24 0.13 1.69 4.81 -0.94 -0.52 114.58 119.74 1rae h GLU 147 Ca -0.02 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.83 1rae h GLU 147 Cb 0.20 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1rae h GLU 147 CO 0.03 0.32 -1.77 1.79 -0.73 0.00 0.00 179.01 178.65 1rae h THR 148 N 0.24 0.80 0.00 0.32 1.35 -1.18 -3.39 112.91 111.05 1rae h THR 148 Ca 0.05 -2.38 -0.04 0.00 -0.55 0.00 0.00 66.41 63.49 1rae h THR 148 Cb 0.26 2.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 1rae h THR 148 CO 0.01 0.81 -0.91 1.56 -0.25 0.00 0.00 175.52 176.75 1rae h GLN 149 N -0.07 0.00 0.00 4.72 1.08 -0.97 -3.49 115.11 116.38 1rae h GLN 149 Ca -0.38 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.82 1rae h GLN 149 Cb 1.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.38 1rae h GLN 149 CO 0.08 0.09 0.00 0.41 -0.95 0.00 0.00 178.83 178.47 1rae n GLY 150 N 1.22 1.96 3.51 3.46 0.00 -0.20 -5.01 105.19 110.12 1rae n GLY 150 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1rae n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rae s ARG 151 N -0.50 1.43 -0.10 1.61 1.70 -1.25 -4.98 118.95 116.87 1rae s ARG 151 Ca 0.00 -1.22 0.14 0.00 -0.47 0.00 0.00 55.73 54.17 1rae s ARG 151 Cb 0.00 0.44 0.30 0.00 -0.57 0.00 0.00 34.95 35.12 1rae s ARG 151 CO 0.00 -0.58 1.20 1.28 -1.08 0.00 0.00 175.30 176.13 1rae n LEU 152 N -0.34 2.76 -4.27 -1.89 4.77 -1.26 -4.25 117.00 112.52 1rae n LEU 152 Ca -0.03 -2.71 -0.17 0.00 -0.03 0.00 0.00 56.01 53.06 1rae n LEU 152 Cb 0.62 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1rae n LEU 152 CO 0.23 0.66 -0.43 -1.81 -1.33 0.00 0.00 177.39 174.71 1rae s ASP 153 N -2.02 2.09 -1.31 -1.43 1.01 -1.26 -4.59 116.67 109.17 1rae s ASP 153 Ca 0.27 -0.94 -0.04 0.00 0.71 0.00 0.00 52.55 52.55 1rae s ASP 153 Cb 0.22 -0.07 0.01 0.00 1.01 0.00 0.00 42.92 44.10 1rae s ASP 153 CO 0.06 -0.22 0.98 0.59 0.21 0.00 0.00 175.17 176.79 1rae n ASN 154 N 0.02 -3.35 -4.70 0.27 3.02 0.86 -4.91 115.26 106.48 1rae n ASN 154 Ca -0.12 -0.67 -0.26 0.00 -0.03 0.00 0.00 54.58 53.51 1rae n ASN 154 Cb 0.59 -4.69 -0.07 0.00 -0.61 0.00 0.00 39.78 35.00 1rae n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rae s LEU 155 N -6.81 3.44 -0.40 3.41 1.43 -1.26 -4.90 118.68 113.58 1rae s LEU 155 Ca 0.24 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1rae s LEU 155 Cb -0.11 -2.07 0.10 0.00 0.03 0.00 0.00 46.19 44.13 1rae s LEU 155 CO 0.76 0.07 0.21 -1.00 0.23 0.00 0.00 176.35 176.63 1rae s HIS 156 N -1.78 3.46 -0.24 0.29 3.76 -1.26 -0.66 115.29 118.86 1rae s HIS 156 Ca 0.29 -2.05 -0.07 0.00 -0.15 0.00 0.00 55.06 53.07 1rae s HIS 156 Cb -0.09 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.52 1rae s HIS 156 CO 0.20 -0.92 0.07 0.08 -0.85 0.00 0.00 174.74 173.32 1rae s VAL 157 N 1.26 4.41 -0.20 -0.90 1.01 -0.60 -1.03 120.40 124.35 1rae s VAL 157 Ca 0.05 -0.14 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 1rae s VAL 157 Cb -0.23 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1rae s VAL 157 CO -0.02 0.36 0.13 0.00 0.00 0.00 0.00 175.10 175.57 1rae s ALA 158 N 1.40 3.67 -0.10 5.51 0.00 0.41 -2.28 121.76 130.37 1rae s ALA 158 Ca 0.05 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1rae s ALA 158 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 1rae s ALA 158 CO 0.04 0.14 -0.12 -1.64 0.00 0.00 0.00 175.76 174.18 1rae s MET 159 N 0.39 3.05 0.03 0.00 -1.94 -0.10 -0.19 119.30 120.53 1rae s MET 159 Ca 0.08 -0.66 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 1rae s MET 159 Cb -0.11 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 1rae s MET 159 CO -0.02 0.40 -0.08 0.08 -0.01 0.00 0.00 175.02 175.40 1rae s VAL 160 N -0.14 0.59 0.00 -6.03 1.01 -0.39 -1.03 120.40 114.41 1rae s VAL 160 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1rae s VAL 160 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1rae s VAL 160 CO 0.03 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1rae n GLY 161 N 2.06 0.18 3.46 4.51 0.00 -1.08 -0.32 105.19 113.99 1rae n GLY 161 Ca -0.18 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 1rae n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rae s ASP 162 N -4.00 6.51 0.35 1.61 2.15 -1.26 -4.37 116.67 117.67 1rae s ASP 162 Ca 0.00 -1.77 0.21 0.00 0.43 0.00 0.00 52.55 51.41 1rae s ASP 162 Cb 0.00 -2.41 0.21 0.00 -0.30 0.00 0.00 42.92 40.42 1rae s ASP 162 CO 0.00 -1.17 1.47 -0.07 -0.17 0.00 0.00 175.17 175.23 1rae h LEU 163 N 10.73 0.00 -0.61 -1.34 3.38 -1.65 -0.55 115.31 125.28 1rae h LEU 163 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1rae h LEU 163 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1rae h LEU 163 CO 1.14 0.16 -0.24 0.50 0.09 0.00 0.00 178.44 180.09 1rae h LYS 164 N 0.00 0.84 0.00 1.13 3.64 -1.37 -3.36 116.57 117.45 1rae h LYS 164 Ca -0.01 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1rae h LYS 164 Cb 1.13 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1rae h LYS 164 CO 0.02 0.99 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 1rae n TYR 165 N -4.10 0.00 -1.79 1.91 4.01 -1.23 -4.81 117.16 111.14 1rae n TYR 165 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1rae n TYR 165 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 1rae n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1rae s GLY 166 N -0.02 0.65 0.30 2.72 0.00 -0.21 -4.83 107.32 105.92 1rae s GLY 166 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 44.72 45.27 1rae s GLY 166 CO 0.00 3.56 1.87 0.07 0.00 0.00 0.00 173.10 178.60 1rae h ARG 167 N 14.03 0.81 -0.45 2.90 0.11 -1.90 -2.41 114.38 127.47 1rae h ARG 167 Ca -0.38 -0.14 -0.03 0.00 0.10 0.00 0.00 59.98 59.54 1rae h ARG 167 Cb 1.21 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 1rae h ARG 167 CO 0.99 0.69 0.17 1.79 0.10 0.00 0.00 179.97 183.71 1rae h THR 168 N 0.79 1.17 0.00 0.08 1.35 -1.94 -1.17 112.91 113.20 1rae h THR 168 Ca 0.18 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1rae h THR 168 Cb 0.21 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1rae h THR 168 CO -0.01 0.21 0.00 -0.37 -0.25 0.00 0.00 175.52 175.10 1rae h VAL 169 N 0.63 0.00 0.03 6.82 -1.51 -1.81 -1.38 116.25 119.03 1rae h VAL 169 Ca 0.15 -0.65 -0.05 0.00 -1.23 0.00 0.00 66.70 64.92 1rae h VAL 169 Cb 0.15 1.64 0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1rae h VAL 169 CO -0.01 0.00 -0.23 0.45 -1.23 0.00 0.00 177.57 176.54 1rae h HIS 170 N 0.00 0.18 0.05 5.19 3.86 -1.13 -2.95 115.15 120.35 1rae h HIS 170 Ca 0.00 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1rae h HIS 170 Cb 0.81 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 1rae h HIS 170 CO 0.00 1.04 -0.19 0.77 0.86 0.00 0.00 177.93 180.41 1rae h SER 171 N -0.74 -0.54 -0.37 2.45 0.02 -1.35 -2.26 113.55 110.77 1rae h SER 171 Ca -0.04 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1rae h SER 171 Cb 1.13 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 1rae h SER 171 CO 0.04 -0.26 0.26 0.25 -1.14 0.00 0.00 176.83 175.99 1rae h LEU 172 N -0.33 0.06 0.03 5.07 5.85 -1.33 -1.81 115.31 122.86 1rae h LEU 172 Ca 0.04 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1rae h LEU 172 Cb 0.38 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.41 1rae h LEU 172 CO -0.14 0.04 -0.53 0.74 -0.34 0.00 0.00 178.44 178.21 1rae h THR 173 N 0.07 1.50 -0.59 1.05 2.02 -1.23 -0.62 112.91 115.11 1rae h THR 173 Ca 0.17 -2.18 0.12 0.00 0.77 0.00 0.00 66.41 65.29 1rae h THR 173 Cb 0.60 2.84 -0.11 0.00 -1.74 0.00 0.00 68.15 69.74 1rae h THR 173 CO -0.01 0.62 -0.19 1.56 0.37 0.00 0.00 175.52 177.86 1rae h GLN 174 N -0.33 -0.04 -0.17 6.66 7.50 -0.89 -0.77 115.11 127.06 1rae h GLN 174 Ca -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 1rae h GLN 174 Cb 1.30 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.83 1rae h GLN 174 CO 0.10 -0.03 0.08 0.00 -1.50 0.00 0.00 178.83 177.48 1rae h ALA 175 N 1.47 0.22 0.00 3.87 0.00 -1.35 -2.02 119.26 121.44 1rae h ALA 175 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1rae h ALA 175 Cb 0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1rae h ALA 175 CO -0.63 -0.22 -0.04 -0.07 0.00 0.00 0.00 179.25 178.29 1rae h LEU 176 N 0.14 0.00 -0.17 0.00 3.38 -0.72 -2.25 115.31 115.69 1rae h LEU 176 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rae h LEU 176 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1rae h LEU 176 CO -0.01 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1rae n ALA 177 N -2.12 2.65 0.43 1.53 0.00 -0.33 -2.30 120.51 120.38 1rae n ALA 177 Ca 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1rae n ALA 177 Cb 0.35 -1.41 0.15 0.00 0.00 0.00 0.00 19.45 18.54 1rae n ALA 177 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1rae h LYS 178 N 0.39 0.00 0.00 0.00 1.57 -1.18 -3.47 116.57 113.88 1rae h LYS 178 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1rae h LYS 178 Cb 0.08 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.43 1rae h LYS 178 CO 0.00 0.00 -0.03 1.19 -0.57 0.00 0.00 179.45 180.04 1rae n PHE 179 N -2.36 -2.42 -4.20 -1.35 3.01 -0.97 -4.89 117.46 104.28 1rae n PHE 179 Ca 0.03 -2.07 -0.29 0.00 1.01 0.00 0.00 57.45 56.13 1rae n PHE 179 Cb 0.47 -0.60 -0.09 0.00 -0.01 0.00 0.00 39.48 39.26 1rae n PHE 179 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1rae s ASP 180 N -4.75 4.65 0.00 4.37 1.01 -1.26 -4.61 116.67 116.07 1rae s ASP 180 Ca 0.63 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1rae s ASP 180 Cb -0.05 -0.97 0.00 0.00 1.01 0.00 0.00 42.92 42.91 1rae s ASP 180 CO 0.40 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.54 1rae n GLY 181 N 0.42 0.53 3.76 0.21 0.00 -1.26 -0.09 105.19 108.76 1rae n GLY 181 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1rae n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rae s ASN 182 N -2.27 7.14 -0.10 1.61 0.01 -1.26 -4.06 114.94 116.01 1rae s ASN 182 Ca 0.00 2.32 0.01 0.00 -0.71 0.00 0.00 52.86 54.48 1rae s ASN 182 Cb 0.00 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1rae s ASN 182 CO 0.00 -0.24 -0.12 -0.60 -1.51 0.00 0.00 177.10 174.63 1rae s ARG 183 N -1.58 3.06 -0.10 -0.60 3.52 0.16 -4.11 118.95 119.30 1rae s ARG 183 Ca 0.46 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.42 1rae s ARG 183 Cb -0.33 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 1rae s ARG 183 CO 0.42 0.39 -0.17 -0.06 -0.81 0.00 0.00 175.30 175.07 1rae s PHE 184 N -0.10 2.68 -0.15 5.12 0.08 -0.13 -1.56 117.98 123.92 1rae s PHE 184 Ca -0.01 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.42 1rae s PHE 184 Cb -0.14 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1rae s PHE 184 CO 0.03 -0.16 -0.17 0.71 -0.10 0.00 0.00 175.22 175.53 1rae s TYR 185 N 0.03 2.76 -0.29 0.36 2.02 -0.96 -0.60 117.35 120.66 1rae s TYR 185 Ca -0.06 -1.12 -0.01 0.00 -0.37 0.00 0.00 57.07 55.51 1rae s TYR 185 Cb -0.15 -1.87 0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1rae s TYR 185 CO 0.05 -0.51 -0.02 -0.06 -1.57 0.00 0.00 175.55 173.43 1rae s PHE 186 N 0.83 3.25 -0.38 2.71 0.08 0.49 -0.92 117.98 124.03 1rae s PHE 186 Ca -0.05 -1.92 -0.05 0.00 0.12 0.00 0.00 56.93 55.03 1rae s PHE 186 Cb -0.15 -2.07 0.08 0.00 -0.57 0.00 0.00 43.02 40.31 1rae s PHE 186 CO -0.01 -0.81 0.17 0.42 -0.10 0.00 0.00 175.22 174.89 1rae s ILE 187 N 1.23 3.60 0.06 0.64 1.01 -0.20 -1.48 121.20 126.06 1rae s ILE 187 Ca -0.05 -1.60 0.01 0.00 0.00 0.00 0.00 60.65 59.01 1rae s ILE 187 Cb -0.20 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1rae s ILE 187 CO -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 174.94 174.40 1rae s ALA 188 N 1.29 0.62 0.13 9.38 0.00 -1.26 -2.64 121.76 129.28 1rae s ALA 188 Ca 0.03 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1rae s ALA 188 Cb -0.22 0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.92 1rae s ALA 188 CO -0.01 -0.16 1.83 -1.25 0.00 0.00 0.00 175.76 176.17 1rae s PRO 189 N -2.58 4.13 0.27 0.00 0.04 -1.26 -4.90 135.00 130.70 1rae s PRO 189 Ca -0.02 2.60 0.13 0.00 0.04 0.00 0.00 61.00 63.75 1rae s PRO 189 Cb -0.03 -3.57 0.71 0.00 0.04 0.00 0.00 34.50 31.66 1rae s PRO 189 CO -0.03 -0.84 1.31 -0.40 0.04 0.00 0.00 177.00 177.09 1rae n ASP 190 N 5.59 0.34 0.13 6.66 5.75 -1.26 0.75 116.55 134.51 1rae n ASP 190 Ca 0.18 0.57 0.12 0.00 -0.01 0.00 0.00 54.79 55.65 1rae n ASP 190 Cb 0.38 -0.56 0.48 0.00 -1.03 0.00 0.00 41.12 40.39 1rae n ASP 190 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rae n ALA 191 N -1.58 1.80 -2.62 2.12 0.00 -1.26 -3.96 120.51 115.01 1rae n ALA 191 Ca -0.01 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1rae n ALA 191 Cb 0.23 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.30 1rae n ALA 191 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rae n LEU 192 N -2.26 2.39 -4.98 0.00 4.77 0.23 -4.98 117.00 112.17 1rae n LEU 192 Ca 0.03 -3.74 -0.20 0.00 -0.03 0.00 0.00 56.01 52.07 1rae n LEU 192 Cb 0.28 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1rae n LEU 192 CO 0.22 1.49 0.14 0.00 -1.33 0.00 0.00 177.39 177.92 1rae s ALA 193 N -3.54 4.10 0.21 -1.18 0.00 -1.22 -1.77 121.76 118.36 1rae s ALA 193 Ca 0.33 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1rae s ALA 193 Cb 0.39 -1.83 -0.16 0.00 0.00 0.00 0.00 23.12 21.52 1rae s ALA 193 CO -0.02 -0.18 0.97 -1.33 0.00 0.00 0.00 175.76 175.20 1rae n MET 194 N -1.81 0.93 -1.48 0.00 2.81 -1.26 -3.32 117.12 112.99 1rae n MET 194 Ca 0.01 0.33 -0.34 0.00 -1.81 0.00 0.00 57.70 55.89 1rae n MET 194 Cb 0.58 -1.68 0.09 0.00 -0.71 0.00 0.00 33.22 31.50 1rae n MET 194 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1rae s PRO 195 N -0.91 2.21 0.47 0.03 0.02 -1.26 -4.90 135.00 130.65 1rae s PRO 195 Ca 0.67 1.76 0.22 0.00 0.02 0.00 0.00 61.00 63.67 1rae s PRO 195 Cb -0.83 -1.84 1.16 0.00 0.02 0.00 0.00 34.50 33.00 1rae s PRO 195 CO 0.56 -1.78 1.97 0.37 -0.33 0.00 0.00 177.00 177.78 1rae h GLN 196 N -0.21 0.00 -0.83 5.54 5.75 -1.99 -2.76 115.11 120.61 1rae h GLN 196 Ca -0.48 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.03 1rae h GLN 196 Cb 1.30 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.80 1rae h GLN 196 CO 0.50 0.20 0.54 0.10 -2.65 0.00 0.00 178.83 177.53 1rae h TYR 197 N 0.00 1.05 -0.51 3.99 -0.00 -1.98 0.57 116.97 120.09 1rae h TYR 197 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 58.73 58.67 1rae h TYR 197 Cb 0.48 -0.36 -0.02 0.00 0.00 0.00 0.00 36.73 36.84 1rae h TYR 197 CO 0.00 0.67 0.01 0.82 -0.00 0.00 0.00 178.16 179.67 1rae h ILE 198 N 1.13 1.26 -0.32 -0.90 1.08 -1.86 -0.76 117.51 117.14 1rae h ILE 198 Ca 0.30 -1.06 -0.07 0.00 -0.39 0.00 0.00 64.86 63.65 1rae h ILE 198 Cb -0.12 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1rae h ILE 198 CO -0.06 0.37 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.64 1rae h LEU 199 N 0.75 0.62 -0.33 1.44 3.38 -1.14 -0.97 115.31 119.07 1rae h LEU 199 Ca 0.15 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1rae h LEU 199 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1rae h LEU 199 CO 0.02 0.83 0.17 0.44 0.09 0.00 0.00 178.44 179.99 1rae h ASP 200 N 0.40 0.41 -0.37 -0.43 3.32 0.38 -1.93 116.42 118.20 1rae h ASP 200 Ca 0.08 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1rae h ASP 200 Cb 0.55 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 1rae h ASP 200 CO 0.03 0.40 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.89 1rae h MET 201 N 0.40 0.07 -0.78 3.56 4.05 -0.93 -1.76 114.93 119.54 1rae h MET 201 Ca 0.11 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.61 1rae h MET 201 Cb 0.08 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1rae h MET 201 CO -0.02 0.05 0.51 -0.07 0.23 0.00 0.00 176.91 177.61 1rae h LEU 202 N 0.07 0.68 -0.22 3.39 3.38 -0.47 -1.61 115.31 120.53 1rae h LEU 202 Ca 0.18 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 1rae h LEU 202 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1rae h LEU 202 CO -0.33 0.42 -0.91 0.44 0.09 0.00 0.00 178.44 178.15 1rae h ASP 203 N 0.77 0.16 -0.47 -0.43 3.32 -0.61 -1.31 116.42 117.85 1rae h ASP 203 Ca 0.35 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1rae h ASP 203 Cb 0.37 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1rae h ASP 203 CO -0.13 0.99 0.25 -0.33 -1.72 0.00 0.00 179.24 178.30 1rae h GLU 204 N 0.06 0.69 0.00 3.56 5.08 -0.82 -0.44 114.58 122.70 1rae h GLU 204 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1rae h GLU 204 Cb 1.57 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1rae h GLU 204 CO 0.13 0.52 0.00 1.63 -1.00 0.00 0.00 179.01 180.30 1rae n LYS 205 N -4.39 0.53 -1.01 2.33 4.76 -0.97 -4.93 118.16 114.48 1rae n LYS 205 Ca 0.04 0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1rae n LYS 205 Cb 0.11 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1rae n LYS 205 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rae n GLY 206 N 1.14 0.47 3.77 0.72 0.00 -0.18 -5.01 105.19 106.10 1rae n GLY 206 Ca 0.16 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1rae n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rae s ILE 207 N -1.98 4.19 0.01 -0.61 1.01 -0.51 -5.00 121.20 118.30 1rae s ILE 207 Ca 0.00 1.89 -0.28 0.00 0.00 0.00 0.00 60.65 62.26 1rae s ILE 207 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1rae s ILE 207 CO 0.00 0.30 0.90 0.00 0.00 0.00 0.00 174.94 176.15 1rae s ALA 208 N -1.42 3.23 0.05 9.38 0.00 -1.26 -4.58 121.76 127.17 1rae s ALA 208 Ca 0.45 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 1rae s ALA 208 Cb -0.22 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1rae s ALA 208 CO 0.27 -0.13 0.20 1.67 0.00 0.00 0.00 175.76 177.76 1rae s TRP 209 N 0.66 0.07 0.04 0.00 1.48 -1.26 -0.95 118.94 118.98 1rae s TRP 209 Ca 0.47 -0.35 -0.08 0.00 -1.06 0.00 0.00 56.10 55.08 1rae s TRP 209 Cb -0.21 -0.03 -0.00 0.00 -1.16 0.00 0.00 33.47 32.07 1rae s TRP 209 CO 0.26 -0.47 0.16 -1.12 -4.06 0.00 0.00 176.95 171.72 1rae s SER 210 N -2.32 0.09 -0.15 -2.66 0.01 0.23 -4.95 113.70 103.95 1rae s SER 210 Ca -0.02 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 1rae s SER 210 Cb 0.01 0.27 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 1rae s SER 210 CO -0.06 -0.54 0.01 -0.76 0.41 0.00 0.00 173.24 172.30 1rae s LEU 211 N -2.11 3.53 0.00 2.44 1.43 -1.26 -0.38 118.68 122.32 1rae s LEU 211 Ca -0.05 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1rae s LEU 211 Cb -0.01 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1rae s LEU 211 CO -0.04 0.21 0.05 1.41 0.23 0.00 0.00 176.35 178.22 1rae n HIS 212 N 3.24 0.57 -0.02 0.29 8.25 -0.55 -4.87 115.22 122.13 1rae n HIS 212 Ca -0.17 -2.05 -0.02 0.00 -0.26 0.00 0.00 57.72 55.21 1rae n HIS 212 Cb 0.53 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 1rae n HIS 212 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1rae n SER 213 N -1.42 4.00 -3.94 0.41 7.64 -1.26 -3.98 113.62 115.07 1rae n SER 213 Ca -0.11 -0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.67 1rae n SER 213 Cb 0.51 0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 64.12 1rae n SER 213 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1rae s SER 214 N -3.59 0.18 0.32 6.43 1.04 -1.26 -4.83 113.70 112.00 1rae s SER 214 Ca -0.02 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1rae s SER 214 Cb 0.01 0.19 0.59 0.00 0.10 0.00 0.00 66.02 66.91 1rae s SER 214 CO 0.15 -0.44 1.95 0.40 0.98 0.00 0.00 173.24 176.28 1rae h ILE 215 N 3.97 1.10 -0.94 -1.02 5.03 -1.95 -1.33 117.51 122.37 1rae h ILE 215 Ca -0.32 -0.33 0.25 0.00 -0.12 0.00 0.00 64.86 64.34 1rae h ILE 215 Cb 1.19 0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 34.99 1rae h ILE 215 CO 0.47 0.17 0.65 -0.08 -0.68 0.00 0.00 178.15 178.68 1rae h GLU 216 N 0.95 0.16 0.00 2.37 4.22 -1.95 0.41 114.58 120.74 1rae h GLU 216 Ca 0.33 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.71 1rae h GLU 216 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1rae h GLU 216 CO -0.11 0.11 -0.22 1.49 -2.18 0.00 0.00 179.01 178.10 1rae h GLU 217 N 0.17 0.00 0.00 1.92 4.81 -1.65 -3.33 114.58 116.50 1rae h GLU 217 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1rae h GLU 217 Cb 1.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1rae h GLU 217 CO -0.09 0.22 0.00 1.33 -0.73 0.00 0.00 179.01 179.74 1rae n VAL 218 N -3.68 0.00 -0.36 0.32 0.24 0.12 -4.83 118.33 110.14 1rae n VAL 218 Ca -0.01 -0.43 0.34 0.00 -2.04 0.00 0.00 64.34 62.20 1rae n VAL 218 Cb 0.34 1.07 0.61 0.00 -1.47 0.00 0.00 33.84 34.39 1rae n VAL 218 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1rae n MET 219 N -0.42 -0.05 0.17 7.34 0.00 0.15 -0.88 117.12 123.43 1rae n MET 219 Ca 0.00 1.34 0.05 0.00 0.00 0.00 0.00 57.70 59.09 1rae n MET 219 Cb 0.02 -2.46 0.24 0.00 0.00 0.00 0.00 33.22 31.02 1rae n MET 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rae h ALA 220 N 1.88 0.88 -0.01 -5.12 0.00 -1.85 -3.26 119.26 111.78 1rae h ALA 220 Ca 0.85 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1rae h ALA 220 Cb 2.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1rae h ALA 220 CO -0.68 0.52 -0.69 0.39 0.00 0.00 0.00 179.25 178.79 1rae n GLU 221 N -3.42 0.74 -3.29 0.00 1.02 -0.06 -4.62 120.64 111.00 1rae n GLU 221 Ca 0.00 -0.59 -0.38 0.00 -0.02 0.00 0.00 57.16 56.18 1rae n GLU 221 Cb 0.58 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.46 1rae n GLU 221 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rae s VAL 222 N -2.68 4.77 -0.12 2.62 1.01 -1.22 -4.74 120.40 120.04 1rae s VAL 222 Ca 0.14 1.14 -0.13 0.00 0.00 0.00 0.00 61.98 63.13 1rae s VAL 222 Cb 0.17 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1rae s VAL 222 CO 0.69 0.50 -0.26 0.47 0.00 0.00 0.00 175.10 176.50 1rae n ASP 223 N 1.56 1.64 -4.58 3.32 8.00 -0.20 -4.48 116.55 121.82 1rae n ASP 223 Ca -0.10 0.27 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 1rae n ASP 223 Cb 0.51 -0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 1rae n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rae s ILE 224 N -2.60 4.66 -0.40 0.53 -1.09 -1.12 -1.53 121.20 119.64 1rae s ILE 224 Ca -0.22 -0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.00 1rae s ILE 224 Cb 0.03 -3.12 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 1rae s ILE 224 CO 0.32 0.42 0.27 -0.22 -1.23 0.00 0.00 174.94 174.50 1rae s LEU 225 N 0.78 5.02 -0.38 2.97 0.20 0.02 -0.44 118.68 126.85 1rae s LEU 225 Ca 0.04 -1.00 -0.08 0.00 0.69 0.00 0.00 54.13 53.78 1rae s LEU 225 Cb -0.13 -2.10 0.06 0.00 -0.43 0.00 0.00 46.19 43.58 1rae s LEU 225 CO 0.02 -0.45 0.18 -0.47 -0.29 0.00 0.00 176.35 175.34 1rae s TYR 226 N 1.62 3.31 0.15 5.38 5.04 0.73 -1.65 117.35 131.92 1rae s TYR 226 Ca 0.04 -1.50 -0.15 0.00 -2.44 0.00 0.00 57.07 53.02 1rae s TYR 226 Cb -0.20 -2.60 -0.07 0.00 0.35 0.00 0.00 41.96 39.44 1rae s TYR 226 CO 0.08 -0.78 0.56 -1.64 -1.34 0.00 0.00 175.55 172.43 1rae s MET 227 N 1.40 4.02 0.20 4.97 -1.94 -0.51 -1.27 119.30 126.17 1rae s MET 227 Ca 0.01 0.54 0.11 0.00 -1.71 0.00 0.00 55.69 54.64 1rae s MET 227 Cb -0.21 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 1rae s MET 227 CO 0.02 0.48 -0.24 0.99 -0.01 0.00 0.00 175.02 176.27 1rae s THR 228 N -1.44 2.33 0.29 2.05 2.01 0.56 -4.26 115.64 117.18 1rae s THR 228 Ca 0.37 -2.05 -0.28 0.00 0.31 0.00 0.00 61.69 60.05 1rae s THR 228 Cb -0.15 -2.12 -0.09 0.00 0.01 0.00 0.00 72.50 70.14 1rae s THR 228 CO 0.19 -0.14 1.01 0.00 -0.69 0.00 0.00 174.62 174.99 1rae s ARG 229 N -2.72 4.64 -0.32 4.92 1.70 -1.26 -4.47 118.95 121.43 1rae s ARG 229 Ca 0.21 1.56 -0.15 0.00 -0.47 0.00 0.00 55.73 56.88 1rae s ARG 229 Cb -0.08 -3.06 -0.02 0.00 -0.57 0.00 0.00 34.95 31.23 1rae s ARG 229 CO 0.10 0.28 0.35 0.08 -1.08 0.00 0.00 175.30 175.03 1rae s VAL 230 N -1.33 5.18 -0.61 4.99 1.01 -1.26 -4.26 120.40 124.13 1rae s VAL 230 Ca 0.46 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 1rae s VAL 230 Cb -0.26 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1rae s VAL 230 CO 0.33 -0.02 2.33 -1.10 0.00 0.00 0.00 175.10 176.63 1rae s GLN 231 N 2.00 2.03 0.28 2.72 -1.52 -1.26 -4.89 119.66 119.02 1rae s GLN 231 Ca 0.12 0.99 -0.07 0.00 -1.95 0.00 0.00 55.36 54.45 1rae s GLN 231 Cb -0.16 -4.64 0.49 0.00 -0.22 0.00 0.00 33.01 28.47 1rae s GLN 231 CO 0.11 -3.55 1.53 1.63 -0.25 0.00 0.00 175.29 174.76 1rae n LYS 232 N 8.97 -0.09 0.30 2.91 4.76 -1.26 -2.22 118.16 131.54 1rae n LYS 232 Ca 0.38 1.53 0.17 0.00 -2.87 0.00 0.00 58.31 57.51 1rae n LYS 232 Cb 0.51 -2.30 0.97 0.00 -1.84 0.00 0.00 35.03 32.37 1rae n LYS 232 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rae h GLU 233 N 0.00 0.00 -0.63 1.97 3.07 -1.99 -2.96 114.58 114.04 1rae h GLU 233 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1rae h GLU 233 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1rae h GLU 233 CO -1.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 177.15 1rae n ARG 234 N -3.71 3.30 -3.86 2.33 1.74 -0.94 -4.83 116.66 110.69 1rae n ARG 234 Ca -0.03 -2.37 -0.10 0.00 -0.77 0.00 0.00 57.85 54.58 1rae n ARG 234 Cb 0.10 -1.80 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 1rae n ARG 234 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rae s LEU 235 N -1.63 1.44 0.19 0.55 2.96 -1.12 -5.09 118.68 115.99 1rae s LEU 235 Ca 0.42 -0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 53.65 1rae s LEU 235 Cb 0.27 0.90 -0.08 0.00 0.50 0.00 0.00 46.19 47.78 1rae s LEU 235 CO 0.20 -0.56 0.85 -0.62 -1.32 0.00 0.00 176.35 174.91 1rae s ASP 236 N -2.14 7.50 0.45 3.68 2.15 -1.26 -4.95 116.67 122.09 1rae s ASP 236 Ca -0.04 1.78 0.30 0.00 0.43 0.00 0.00 52.55 55.01 1rae s ASP 236 Cb -0.01 -2.55 1.39 0.00 -0.30 0.00 0.00 42.92 41.46 1rae s ASP 236 CO -0.04 0.17 1.66 1.55 -0.17 0.00 0.00 175.17 178.34 1rae h PRO 237 N 4.35 0.13 0.00 4.34 0.13 -1.98 -0.07 132.00 138.90 1rae h PRO 237 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1rae h PRO 237 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rae h PRO 237 CO 0.67 0.08 -0.11 0.77 -0.23 0.00 0.00 178.00 179.19 1rae h SER 238 N 0.13 0.00 0.08 1.44 0.02 -1.98 -0.70 113.55 112.55 1rae h SER 238 Ca 0.77 -0.04 -0.36 0.00 -0.84 0.00 0.00 61.79 61.32 1rae h SER 238 Cb 2.43 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.91 1rae h SER 238 CO -0.34 0.02 -2.28 -1.84 -1.14 0.00 0.00 176.83 171.25 1rae n GLU 239 N -2.29 0.68 0.49 3.45 0.28 -0.17 -3.81 120.64 119.28 1rae n GLU 239 Ca 0.05 0.04 -0.20 0.00 -0.16 0.00 0.00 57.16 56.89 1rae n GLU 239 Cb 0.44 -1.56 -0.10 0.00 1.43 0.00 0.00 31.44 31.65 1rae n GLU 239 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 1rae h TYR 240 N 0.00 -1.15 0.00 -1.84 5.03 -1.20 -1.26 116.97 116.54 1rae h TYR 240 Ca -0.51 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.78 1rae h TYR 240 Cb 2.21 0.38 0.00 0.00 1.55 0.00 0.00 36.73 40.87 1rae h TYR 240 CO 0.00 -0.72 0.00 0.00 -1.32 0.00 0.00 178.16 176.13 1rae n ALA 241 N -2.64 1.67 0.36 1.82 0.00 -0.27 -3.42 120.51 118.02 1rae n ALA 241 Ca -0.16 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.33 1rae n ALA 241 Cb 0.49 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 1rae n ALA 241 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rae n ASN 242 N -1.11 0.71 -4.57 0.00 2.85 -0.49 -4.91 115.26 107.73 1rae n ASN 242 Ca 0.05 -0.39 -0.26 0.00 -0.11 0.00 0.00 54.58 53.87 1rae n ASN 242 Cb 0.04 1.52 -0.06 0.00 1.24 0.00 0.00 39.78 42.52 1rae n ASN 242 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1rae s VAL 243 N -3.11 3.45 0.00 3.44 -7.23 -1.14 -4.70 120.40 111.11 1rae s VAL 243 Ca -0.01 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1rae s VAL 243 Cb 0.13 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.85 1rae s VAL 243 CO 0.79 -0.87 0.00 1.17 -0.31 0.00 0.00 175.10 175.87 1rae n LYS 244 N 8.55 0.00 -2.13 4.82 4.81 -1.26 -1.22 118.16 131.73 1rae n LYS 244 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1rae n LYS 244 Cb 0.47 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.55 1rae n LYS 244 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rae n ALA 245 N 3.62 2.71 -1.16 3.14 0.00 -1.26 -5.11 120.51 122.45 1rae n ALA 245 Ca 0.00 -2.08 0.15 0.00 0.00 0.00 0.00 53.44 51.52 1rae n ALA 245 Cb 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 1rae n ALA 245 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rae n GLN 246 N -0.31 -2.40 -3.15 0.00 1.13 -0.36 -4.83 117.38 107.47 1rae n GLN 246 Ca -0.02 1.65 -0.25 0.00 -1.94 0.00 0.00 57.00 56.45 1rae n GLN 246 Cb 0.91 -2.90 -0.05 0.00 0.11 0.00 0.00 30.24 28.31 1rae n GLN 246 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1rae n PHE 247 N -3.72 2.63 -4.49 1.08 3.72 -1.26 -4.97 117.46 110.45 1rae n PHE 247 Ca -0.01 -3.95 -0.25 0.00 -0.05 0.00 0.00 57.45 53.19 1rae n PHE 247 Cb 0.53 -0.48 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 1rae n PHE 247 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1rae s VAL 248 N -3.12 2.40 -0.10 -4.37 -7.23 -1.26 -4.90 120.40 101.83 1rae s VAL 248 Ca 0.43 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1rae s VAL 248 Cb 0.24 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1rae s VAL 248 CO -0.09 -0.29 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.01 1rae s LEU 249 N -3.58 2.43 0.16 1.32 2.96 0.17 -4.98 118.68 117.16 1rae s LEU 249 Ca 0.32 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1rae s LEU 249 Cb -0.01 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1rae s LEU 249 CO 0.16 0.21 -0.16 -0.13 -1.32 0.00 0.00 176.35 175.11 1rae s ARG 250 N 0.08 1.20 0.37 1.98 0.52 -1.26 -0.87 118.95 120.96 1rae s ARG 250 Ca -0.08 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 53.79 1rae s ARG 250 Cb -0.15 -1.11 0.76 0.00 0.52 0.00 0.00 34.95 34.97 1rae s ARG 250 CO 0.05 0.21 1.96 0.00 0.02 0.00 0.00 175.30 177.54 1rae h ALA 251 N 3.12 1.73 -0.99 2.13 0.00 -1.91 -2.60 119.26 120.74 1rae h ALA 251 Ca -0.40 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.75 1rae h ALA 251 Cb 1.21 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1rae h ALA 251 CO 0.54 0.15 0.67 0.77 0.00 0.00 0.00 179.25 181.38 1rae h SER 252 N 0.73 0.29 1.45 0.00 0.02 -1.97 0.16 113.55 114.24 1rae h SER 252 Ca 0.31 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.27 1rae h SER 252 Cb 0.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1rae h SER 252 CO -0.11 0.08 -0.17 0.44 -1.14 0.00 0.00 176.83 175.93 1rae h ASP 253 N 0.27 0.00 0.60 3.07 3.32 -1.89 -3.03 116.42 118.76 1rae h ASP 253 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1rae h ASP 253 Cb 1.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1rae h ASP 253 CO -0.17 0.17 -0.16 0.18 -1.72 0.00 0.00 179.24 177.54 1rae n LEU 254 N -3.20 0.31 0.11 1.55 4.77 0.57 -4.27 117.00 116.85 1rae n LEU 254 Ca 0.02 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1rae n LEU 254 Cb 0.52 -0.30 0.36 0.00 -2.33 0.00 0.00 43.42 41.66 1rae n LEU 254 CO 0.34 0.07 0.72 0.00 -1.33 0.00 0.00 177.39 177.19 1rae n HIS 255 N -1.26 0.45 0.03 -1.77 1.44 -1.15 -0.64 115.22 112.32 1rae n HIS 255 Ca 0.10 0.23 0.10 0.00 -2.01 0.00 0.00 57.72 56.14 1rae n HIS 255 Cb 0.31 -0.81 -0.15 0.00 0.12 0.00 0.00 29.99 29.45 1rae n HIS 255 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1rae n ASN 256 N -1.96 0.41 -4.74 4.39 5.15 -1.26 -5.05 115.26 112.20 1rae n ASN 256 Ca -0.01 -0.04 -0.37 0.00 -0.60 0.00 0.00 54.58 53.56 1rae n ASN 256 Cb 0.10 1.88 0.05 0.00 -0.53 0.00 0.00 39.78 41.29 1rae n ASN 256 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rae s ALA 257 N -3.38 2.56 0.62 5.20 0.00 0.19 -4.59 121.76 122.36 1rae s ALA 257 Ca -0.07 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.94 1rae s ALA 257 Cb 0.13 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1rae s ALA 257 CO 0.84 -1.44 1.21 0.21 0.00 0.00 0.00 175.76 176.57 1rae s LYS 258 N -3.20 2.80 0.49 0.00 2.20 -1.26 -4.90 119.74 115.87 1rae s LYS 258 Ca 0.78 1.80 0.16 0.00 -0.36 0.00 0.00 55.97 58.35 1rae s LYS 258 Cb -0.37 -1.91 1.19 0.00 -1.51 0.00 0.00 37.83 35.23 1rae s LYS 258 CO 0.41 -1.33 2.08 0.00 -0.36 0.00 0.00 175.35 176.15 1rae h ALA 259 N 0.62 2.04 -0.66 3.13 0.00 -1.94 -2.18 119.26 120.27 1rae h ALA 259 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1rae h ALA 259 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rae h ALA 259 CO 0.54 -0.09 0.00 0.27 0.00 0.00 0.00 179.25 179.97 1rae n ASN 260 N -4.49 3.80 -4.77 0.00 0.23 -1.26 -4.93 115.26 103.84 1rae n ASN 260 Ca 0.02 -2.00 -0.39 0.00 -0.53 0.00 0.00 54.58 51.68 1rae n ASN 260 Cb 0.22 -0.44 -0.02 0.00 -2.08 0.00 0.00 39.78 37.46 1rae n ASN 260 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1rae s MET 261 N -1.12 4.20 -0.01 -3.83 1.75 -0.82 -4.88 119.30 114.59 1rae s MET 261 Ca 0.47 1.92 0.02 0.00 -1.25 0.00 0.00 55.69 56.85 1rae s MET 261 Cb 0.25 -2.84 -0.00 0.00 2.84 0.00 0.00 34.83 35.08 1rae s MET 261 CO 0.33 -0.22 -0.06 0.15 -0.65 0.00 0.00 175.02 174.57 1rae s LYS 262 N -2.06 0.48 -0.28 4.11 3.01 -0.58 -4.52 119.74 119.89 1rae s LYS 262 Ca 0.53 -0.20 -0.11 0.00 -1.01 0.00 0.00 55.97 55.19 1rae s LYS 262 Cb -0.33 -0.47 -0.05 0.00 -1.01 0.00 0.00 37.83 35.98 1rae s LYS 262 CO 0.42 0.11 0.18 0.08 0.51 0.00 0.00 175.35 176.66 1rae s VAL 263 N -0.08 5.22 0.12 3.17 1.01 0.98 -0.80 120.40 130.03 1rae s VAL 263 Ca 0.01 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1rae s VAL 263 Cb -0.03 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1rae s VAL 263 CO -0.00 0.25 -0.04 -0.76 0.00 0.00 0.00 175.10 174.54 1rae s LEU 264 N 1.75 3.23 -0.23 3.92 1.43 -0.66 -1.20 118.68 126.92 1rae s LEU 264 Ca 0.07 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1rae s LEU 264 Cb -0.16 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.18 1rae s LEU 264 CO 0.10 0.15 0.54 -2.28 0.23 0.00 0.00 176.35 175.09 1rae s HIS 265 N -1.40 -0.90 -0.41 0.29 2.46 -1.26 -1.42 115.29 112.64 1rae s HIS 265 Ca 0.24 1.76 0.18 0.00 0.47 0.00 0.00 55.06 57.71 1rae s HIS 265 Cb -0.11 0.47 0.92 0.00 -0.13 0.00 0.00 32.58 33.74 1rae s HIS 265 CO 0.16 -0.48 1.55 -0.35 -2.47 0.00 0.00 174.74 173.16 1rae n PRO 266 N 4.64 0.12 -1.27 2.88 -0.04 -1.26 -4.80 135.00 135.27 1rae n PRO 266 Ca -0.18 0.56 0.01 0.00 -0.04 0.00 0.00 63.50 63.86 1rae n PRO 266 Cb 0.55 -1.85 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 1rae n PRO 266 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rae n LEU 267 N -2.09 -1.32 -4.81 1.53 4.77 -1.26 -5.02 117.00 108.80 1rae n LEU 267 Ca -0.00 2.29 -0.33 0.00 -0.03 0.00 0.00 56.01 57.94 1rae n LEU 267 Cb 0.06 -2.38 0.01 0.00 -2.33 0.00 0.00 43.42 38.78 1rae n LEU 267 CO 0.10 -0.77 0.71 -2.16 -1.33 0.00 0.00 177.39 173.94 1rae s PRO 268 N -5.06 3.33 -0.49 3.23 0.05 -1.26 -5.05 135.00 129.74 1rae s PRO 268 Ca 0.00 1.18 0.03 0.00 0.05 0.00 0.00 61.00 62.26 1rae s PRO 268 Cb 0.00 -2.04 0.13 0.00 0.05 0.00 0.00 34.50 32.65 1rae s PRO 268 CO 0.00 -0.80 0.26 -0.98 0.05 0.00 0.00 177.00 175.53 1rae s ARG 269 N -4.13 1.72 0.01 4.56 3.03 -1.26 -4.69 118.95 118.19 1rae s ARG 269 Ca 0.63 -2.40 -0.09 0.00 2.03 0.00 0.00 55.73 55.90 1rae s ARG 269 Cb -0.16 -2.93 -0.05 0.00 -1.03 0.00 0.00 34.95 30.79 1rae s ARG 269 CO 0.38 -1.14 0.92 -0.39 -1.13 0.00 0.00 175.30 173.94 1rae h VAL 270 N 5.36 0.00 0.00 4.99 -1.51 -2.01 -3.45 116.25 119.63 1rae h VAL 270 Ca -0.04 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1rae h VAL 270 Cb 0.90 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.06 1rae h VAL 270 CO 0.61 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.05 1rae n ASP 271 N -3.04 0.00 0.25 4.19 5.68 -1.26 -4.79 116.55 117.58 1rae n ASP 271 Ca -0.04 -0.63 0.17 0.00 -0.50 0.00 0.00 54.79 53.79 1rae n ASP 271 Cb 0.13 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 40.90 1rae n ASP 271 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1rae h GLU 272 N 0.00 0.00 -4.27 0.11 9.09 -1.90 -3.38 114.58 114.23 1rae h GLU 272 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 1rae h GLU 272 Cb 0.32 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 27.04 1rae h GLU 272 CO 0.00 0.00 -0.80 0.42 0.05 0.00 0.00 179.01 178.68 1rae s ILE 273 N -3.72 1.23 0.70 -1.06 1.01 -1.26 0.45 121.20 118.55 1rae s ILE 273 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1rae s ILE 273 Cb 0.10 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.22 1rae s ILE 273 CO 0.43 0.16 1.11 0.00 0.00 0.00 0.00 174.94 176.63 1rae s ALA 274 N 1.58 2.38 0.61 9.38 0.00 -0.05 -4.94 121.76 130.72 1rae s ALA 274 Ca 0.01 0.46 0.27 0.00 0.00 0.00 0.00 51.96 52.69 1rae s ALA 274 Cb -0.15 -3.31 1.27 0.00 0.00 0.00 0.00 23.12 20.93 1rae s ALA 274 CO -0.08 -1.47 1.69 1.15 0.00 0.00 0.00 175.76 177.05 1rae h THR 275 N -0.40 0.19 0.00 0.00 2.02 -1.97 -1.35 112.91 111.40 1rae h THR 275 Ca -0.46 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1rae h THR 275 Cb 1.24 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1rae h THR 275 CO 0.53 0.00 -0.55 -2.24 0.37 0.00 0.00 175.52 173.63 1rae h ASP 276 N 0.00 0.00 -0.29 4.18 3.04 -1.94 -2.85 116.42 118.55 1rae h ASP 276 Ca 0.24 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.97 1rae h ASP 276 Cb 1.60 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.88 1rae h ASP 276 CO -0.00 0.22 0.00 0.58 -2.04 0.00 0.00 179.24 178.00 1rae h VAL 277 N 0.00 1.22 -0.84 4.15 2.07 -1.57 -3.03 116.25 118.25 1rae h VAL 277 Ca -0.02 -0.87 0.24 0.00 0.82 0.00 0.00 66.70 66.87 1rae h VAL 277 Cb 1.19 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1rae h VAL 277 CO 0.03 0.30 0.73 0.44 0.02 0.00 0.00 177.57 179.09 1rae h ASP 278 N 0.59 0.00 -0.34 0.57 5.19 -1.59 0.08 116.42 120.92 1rae h ASP 278 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1rae h ASP 278 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1rae h ASP 278 CO 0.01 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.42 1rae n LYS 279 N -3.87 2.26 -1.79 3.56 5.02 -1.14 -4.83 118.16 117.37 1rae n LYS 279 Ca 0.18 -2.05 -0.30 0.00 -2.02 0.00 0.00 58.31 54.12 1rae n LYS 279 Cb 1.02 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 34.72 1rae n LYS 279 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1rae s THR 280 N -1.19 2.73 0.38 -0.18 -4.23 0.02 -4.94 115.64 108.23 1rae s THR 280 Ca 0.30 0.24 0.39 0.00 -1.18 0.00 0.00 61.69 61.44 1rae s THR 280 Cb 0.17 -3.16 0.41 0.00 1.34 0.00 0.00 72.50 71.27 1rae s THR 280 CO 0.24 -0.31 2.18 -0.65 -0.54 0.00 0.00 174.62 175.54 1rae h PRO 281 N -0.97 0.00 0.00 3.99 0.11 -1.92 -3.23 132.00 129.97 1rae h PRO 281 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rae h PRO 281 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1rae h PRO 281 CO 0.64 0.00 -0.33 0.72 -0.21 0.00 0.00 178.00 178.81 1rae n HIS 282 N -3.01 0.03 -2.24 0.65 8.25 -1.26 -4.85 115.22 112.78 1rae n HIS 282 Ca -0.01 0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1rae n HIS 282 Cb 0.16 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 1rae n HIS 282 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rae s ALA 283 N -3.01 3.46 -0.00 -1.41 0.00 -1.22 -0.01 121.76 119.57 1rae s ALA 283 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1rae s ALA 283 Cb 0.18 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1rae s ALA 283 CO 0.64 -1.60 0.65 1.87 0.00 0.00 0.00 175.76 177.32 1rae n TRP 284 N 7.54 0.00 -0.07 0.00 -0.00 -0.34 -4.84 117.44 119.73 1rae n TRP 284 Ca 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1rae n TRP 284 Cb 0.45 -0.02 0.29 0.00 -0.00 0.00 0.00 31.31 32.03 1rae n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1rae h TYR 285 N 0.00 0.69 0.10 5.87 -0.00 -1.85 -0.21 116.97 121.58 1rae h TYR 285 Ca 0.00 -0.03 -0.29 0.00 -0.00 0.00 0.00 58.73 58.41 1rae h TYR 285 Cb 1.00 -0.21 0.02 0.00 -0.00 0.00 0.00 36.73 37.54 1rae h TYR 285 CO 0.01 0.54 -1.20 0.74 -0.00 0.00 0.00 178.16 178.25 1rae h PHE 286 N 0.68 0.94 -0.04 0.10 0.04 -1.91 -1.30 116.94 115.45 1rae h PHE 286 Ca 0.16 -0.58 -0.05 0.00 2.80 0.00 0.00 57.97 60.31 1rae h PHE 286 Cb 0.15 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1rae h PHE 286 CO 0.01 1.43 -0.19 1.96 -0.60 0.00 0.00 178.31 180.92 1rae h GLN 287 N 0.27 0.07 -0.06 1.51 7.50 -1.89 -1.51 115.11 120.99 1rae h GLN 287 Ca -0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 58.95 1rae h GLN 287 Cb 1.87 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.39 1rae h GLN 287 CO 0.23 0.26 -0.00 0.37 -1.50 0.00 0.00 178.83 178.18 1rae h GLN 288 N 0.06 0.12 -0.59 1.46 4.15 -0.95 -2.12 115.11 117.25 1rae h GLN 288 Ca 0.01 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1rae h GLN 288 Cb 0.37 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1rae h GLN 288 CO 0.03 0.40 0.30 0.00 -1.93 0.00 0.00 178.83 177.63 1rae h ALA 289 N 0.71 1.42 -0.41 3.38 0.00 -0.54 -2.26 119.26 121.56 1rae h ALA 289 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rae h ALA 289 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1rae h ALA 289 CO 0.00 0.47 0.25 0.78 0.00 0.00 0.00 179.25 180.75 1rae h GLY 290 N 0.90 0.59 2.00 0.00 0.00 -1.27 -2.46 103.07 102.84 1rae h GLY 290 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1rae h GLY 290 CO -0.03 0.23 0.00 0.70 0.00 0.00 0.00 176.54 177.44 1rae n ASN 291 N -4.45 0.39 -0.32 0.19 3.02 -0.80 -2.04 115.26 111.25 1rae n ASN 291 Ca 0.03 0.59 0.02 0.00 -0.03 0.00 0.00 54.58 55.18 1rae n ASN 291 Cb 0.08 -0.67 0.15 0.00 -0.61 0.00 0.00 39.78 38.73 1rae n ASN 291 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1rae h GLY 292 N 2.75 1.34 0.76 7.41 0.00 -1.38 0.03 103.07 113.97 1rae h GLY 292 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 46.98 1rae h GLY 292 CO 0.00 0.25 0.17 -2.22 0.00 0.00 0.00 176.54 174.73 1rae h ILE 293 N 0.97 0.94 -0.01 2.60 1.08 -1.56 -1.56 117.51 119.97 1rae h ILE 293 Ca 0.39 -0.12 -0.23 0.00 -0.39 0.00 0.00 64.86 64.51 1rae h ILE 293 Cb 0.22 0.57 0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1rae h ILE 293 CO -0.19 0.06 -0.94 -0.26 -0.69 0.00 0.00 178.15 176.13 1rae h PHE 294 N 0.35 0.70 -0.40 1.37 0.04 -1.52 -0.01 116.94 117.47 1rae h PHE 294 Ca 0.17 -0.37 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1rae h PHE 294 Cb 0.10 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1rae h PHE 294 CO -0.12 1.19 0.21 0.00 -0.60 0.00 0.00 178.31 178.99 1rae h ALA 295 N 0.69 0.51 0.00 2.45 0.00 -0.85 -2.38 119.26 119.68 1rae h ALA 295 Ca -0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1rae h ALA 295 Cb 1.58 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1rae h ALA 295 CO 0.17 0.05 -0.76 0.00 0.00 0.00 0.00 179.25 178.71 1rae h ARG 296 N 0.51 0.00 -0.54 0.00 3.08 -1.13 -2.17 114.38 114.12 1rae h ARG 296 Ca 0.14 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1rae h ARG 296 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1rae h ARG 296 CO -0.02 0.76 0.32 1.96 -1.07 0.00 0.00 179.97 181.91 1rae h GLN 297 N 0.00 0.60 -0.66 0.04 4.20 -1.00 -2.45 115.11 115.85 1rae h GLN 297 Ca -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1rae h GLN 297 Cb 1.51 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1rae h GLN 297 CO 0.10 0.40 0.35 0.00 -0.67 0.00 0.00 178.83 179.01 1rae h ALA 298 N 1.25 0.84 -0.47 3.87 0.00 -1.06 -1.02 119.26 122.67 1rae h ALA 298 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1rae h ALA 298 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1rae h ALA 298 CO -0.11 0.37 -0.15 1.25 0.00 0.00 0.00 179.25 180.61 1rae h LEU 299 N 0.90 0.96 -0.48 0.00 5.85 -1.32 -1.22 115.31 120.00 1rae h LEU 299 Ca 0.23 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 1rae h LEU 299 Cb 0.06 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1rae h LEU 299 CO -0.04 1.12 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.00 1rae h LEU 300 N 0.79 0.93 0.26 2.25 3.38 -1.23 -1.36 115.31 120.32 1rae h LEU 300 Ca 0.12 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1rae h LEU 300 Cb 0.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1rae h LEU 300 CO 0.05 1.07 -0.12 0.00 0.09 0.00 0.00 178.44 179.53 1rae h ALA 301 N 0.89 -0.34 -0.83 1.53 0.00 -1.09 -1.55 119.26 117.86 1rae h ALA 301 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rae h ALA 301 Cb 0.66 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1rae h ALA 301 CO 0.05 -0.60 0.48 -0.07 0.00 0.00 0.00 179.25 179.11 1rae h LEU 302 N -0.54 1.01 -0.56 0.00 3.38 -1.18 -1.25 115.31 116.16 1rae h LEU 302 Ca -0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1rae h LEU 302 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1rae h LEU 302 CO 0.06 0.79 0.11 0.58 0.09 0.00 0.00 178.44 180.07 1rae h VAL 303 N 1.14 1.25 -0.00 1.22 2.07 -1.19 -3.26 116.25 117.49 1rae h VAL 303 Ca 0.29 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1rae h VAL 303 Cb -0.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1rae h VAL 303 CO -0.05 0.34 -0.74 0.18 0.02 0.00 0.00 177.57 177.32 1rae n LEU 304 N -4.36 0.87 -4.31 2.57 4.77 -0.59 -0.31 117.00 115.64 1rae n LEU 304 Ca 0.02 -0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 55.37 1rae n LEU 304 Cb 0.25 -0.10 -0.16 0.00 -2.33 0.00 0.00 43.42 41.08 1rae n LEU 304 CO 0.41 0.21 -0.53 0.20 -1.33 0.00 0.00 177.39 176.35 1rae s ASN 305 N -2.94 3.35 0.03 -1.43 0.01 -0.49 -4.99 114.94 108.48 1rae s ASN 305 Ca 0.11 -0.45 -0.22 0.00 -0.71 0.00 0.00 52.86 51.59 1rae s ASN 305 Cb 0.17 -1.05 -0.15 0.00 0.41 0.00 0.00 41.25 40.63 1rae s ASN 305 CO 0.77 0.23 1.40 0.03 -1.51 0.00 0.00 177.10 178.02 1rae h ARG 306 N 6.16 0.22 -4.79 -0.60 3.08 -1.87 -3.44 114.38 113.15 1rae h ARG 306 Ca -0.31 -0.09 -0.45 0.00 0.07 0.00 0.00 59.98 59.20 1rae h ARG 306 Cb 1.19 -0.01 -0.30 0.00 0.08 0.00 0.00 29.97 30.93 1rae h ARG 306 CO 0.49 0.55 -0.79 -0.51 -1.07 0.00 0.00 179.97 178.63 1rae s ASP 307 N -5.84 1.35 -0.08 7.04 1.01 -1.26 0.90 116.67 119.80 1rae s ASP 307 Ca -0.15 -0.21 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 1rae s ASP 307 Cb 0.05 -0.30 0.04 0.00 1.01 0.00 0.00 42.92 43.71 1rae s ASP 307 CO 0.72 0.10 0.09 -0.22 0.21 0.00 0.00 175.17 176.06 1rae s LEU 308 N 0.04 0.14 -0.26 1.23 2.96 -1.26 -5.01 118.68 116.52 1rae s LEU 308 Ca -0.01 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1rae s LEU 308 Cb -0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.51 1rae s LEU 308 CO 0.00 -0.27 0.07 0.68 -1.32 0.00 0.00 176.35 175.51 1rae s VAL 309 N 2.19 4.16 0.00 1.68 -7.23 -1.26 -5.13 120.40 114.81 1rae s VAL 309 Ca 0.04 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1rae s VAL 309 Cb -0.13 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1rae s VAL 309 CO -0.05 0.26 0.00 0.00 -0.31 0.00 0.00 175.10 175.00