#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgu n PRO 2 N 0.00 0.66 -0.30 -0.24 -0.02 -1.26 -4.51 135.00 129.33 1cgu n PRO 2 Ca 0.00 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.81 1cgu n PRO 2 Cb 0.00 -2.34 0.25 0.00 -0.02 0.00 0.00 33.50 31.39 1cgu n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1cgu h ASP 3 N -0.06 0.89 -0.42 2.55 2.03 -1.95 -2.68 116.42 116.78 1cgu h ASP 3 Ca -0.48 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 55.78 1cgu h ASP 3 Cb 1.33 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 39.64 1cgu h ASP 3 CO 0.49 0.56 0.07 0.74 -1.03 0.00 0.00 179.24 180.07 1cgu h THR 4 N 1.01 1.24 -2.90 1.15 2.02 -1.94 -3.45 112.91 110.04 1cgu h THR 4 Ca 0.40 -0.89 -0.58 0.00 0.77 0.00 0.00 66.41 66.11 1cgu h THR 4 Cb 0.24 1.01 0.09 0.00 -1.74 0.00 0.00 68.15 67.75 1cgu h THR 4 CO -0.16 0.31 0.55 0.00 0.37 0.00 0.00 175.52 176.59 1cgu n ALA 5 N -2.38 1.12 -0.32 6.16 0.00 -1.01 -4.85 120.51 119.24 1cgu n ALA 5 Ca -0.00 0.39 0.32 0.00 0.00 0.00 0.00 53.44 54.15 1cgu n ALA 5 Cb 0.24 -2.25 0.69 0.00 0.00 0.00 0.00 19.45 18.12 1cgu n ALA 5 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1cgu h VAL 6 N 2.81 0.43 -0.10 0.00 3.04 -1.88 0.71 116.25 121.26 1cgu h VAL 6 Ca -0.45 -0.04 0.03 0.00 -1.01 0.00 0.00 66.70 65.23 1cgu h VAL 6 Cb 1.28 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1cgu h VAL 6 CO 0.70 0.02 0.77 0.71 -1.01 0.00 0.00 177.57 178.76 1cgu h THR 7 N 0.10 0.02 -2.75 3.17 1.35 -1.90 -3.39 112.91 109.51 1cgu h THR 7 Ca 0.57 0.00 -0.72 0.00 -0.55 0.00 0.00 66.41 65.72 1cgu h THR 7 Cb 2.06 0.25 -0.20 0.00 -1.73 0.00 0.00 68.15 68.53 1cgu h THR 7 CO -0.09 0.00 0.67 0.21 -0.25 0.00 0.00 175.52 176.06 1cgu s ASN 8 N -3.60 6.68 0.44 5.36 3.84 0.24 -4.90 114.94 123.01 1cgu s ASN 8 Ca -0.02 -2.25 0.30 0.00 0.21 0.00 0.00 52.86 51.11 1cgu s ASN 8 Cb 0.05 -2.35 1.27 0.00 -0.55 0.00 0.00 41.25 39.66 1cgu s ASN 8 CO 0.15 -0.93 1.90 0.11 -2.79 0.00 0.00 177.10 175.54 1cgu h LYS 9 N 8.51 0.00 -0.01 0.43 1.57 -1.85 -3.28 116.57 121.94 1cgu h LYS 9 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1cgu h LYS 9 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1cgu h LYS 9 CO 1.03 0.00 -0.64 1.04 -0.57 0.00 0.00 179.45 180.31 1cgu n GLN 10 N -2.76 0.46 -3.96 3.15 3.00 -1.26 -1.09 117.38 114.91 1cgu n GLN 10 Ca 0.01 -0.34 -0.15 0.00 -0.01 0.00 0.00 57.00 56.51 1cgu n GLN 10 Cb 0.26 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.86 1cgu n GLN 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1cgu s SER 11 N -2.78 0.28 0.00 1.08 0.15 -1.24 -4.48 113.70 106.71 1cgu s SER 11 Ca 0.14 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1cgu s SER 11 Cb 0.17 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1cgu s SER 11 CO 0.70 -0.02 0.69 0.49 1.20 0.00 0.00 173.24 176.30 1cgu n PHE 12 N 3.41 0.00 0.24 3.44 3.01 -1.26 -4.73 117.46 121.57 1cgu n PHE 12 Ca -0.17 -0.20 0.17 0.00 1.01 0.00 0.00 57.45 58.26 1cgu n PHE 12 Cb 0.56 -0.02 0.88 0.00 -0.01 0.00 0.00 39.48 40.89 1cgu n PHE 12 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1cgu h SER 13 N 0.00 0.00 -0.23 4.37 0.02 -1.88 0.23 113.55 116.06 1cgu h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cgu h SER 13 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1cgu h SER 13 CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 1cgu n THR 14 N -3.67 0.29 -3.31 -2.27 -2.24 -1.26 -4.65 114.28 97.17 1cgu n THR 14 Ca 0.00 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1cgu n THR 14 Cb 0.28 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 1cgu n THR 14 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1cgu n ASP 15 N 0.97 1.53 -3.68 3.42 8.00 0.80 -3.63 116.55 123.96 1cgu n ASP 15 Ca 0.17 -1.96 -0.19 0.00 0.71 0.00 0.00 54.79 53.53 1cgu n ASP 15 Cb 0.49 -0.15 -0.17 0.00 -0.02 0.00 0.00 41.12 41.27 1cgu n ASP 15 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cgu s VAL 16 N -1.26 -0.12 0.10 2.53 1.01 -1.26 -4.55 120.40 116.84 1cgu s VAL 16 Ca 0.28 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 1cgu s VAL 16 Cb -0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.14 1cgu s VAL 16 CO 0.18 0.16 0.87 -0.63 0.00 0.00 0.00 175.10 175.68 1cgu s ILE 17 N 2.02 4.56 -0.31 2.22 1.01 0.22 -2.36 121.20 128.55 1cgu s ILE 17 Ca 0.03 1.87 -0.10 0.00 0.00 0.00 0.00 60.65 62.45 1cgu s ILE 17 Cb -0.12 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 1cgu s ILE 17 CO -0.03 0.36 0.16 -0.47 0.00 0.00 0.00 174.94 174.96 1cgu s TYR 18 N -0.17 3.18 -0.27 3.97 5.04 0.39 -0.93 117.35 128.56 1cgu s TYR 18 Ca 0.42 -0.51 -0.15 0.00 -2.44 0.00 0.00 57.07 54.39 1cgu s TYR 18 Cb -0.22 -2.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 1cgu s TYR 18 CO 0.27 -0.43 0.40 -1.14 -1.34 0.00 0.00 175.55 173.30 1cgu s GLN 19 N 1.63 4.03 -0.09 4.97 0.74 0.14 0.18 119.66 131.26 1cgu s GLN 19 Ca 0.05 0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1cgu s GLN 19 Cb -0.17 -3.65 0.02 0.00 1.10 0.00 0.00 33.01 30.31 1cgu s GLN 19 CO 0.07 -0.28 -0.09 0.54 -0.55 0.00 0.00 175.29 174.97 1cgu s VAL 20 N 2.09 1.06 -0.58 1.34 0.11 -0.96 0.26 120.40 123.71 1cgu s VAL 20 Ca 0.16 -0.36 -0.26 0.00 -2.93 0.00 0.00 61.98 58.59 1cgu s VAL 20 Cb -0.16 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.62 1cgu s VAL 20 CO 0.10 0.36 2.07 -0.36 -3.33 0.00 0.00 175.10 173.94 1cgu s PHE 21 N 1.27 1.44 0.18 1.54 0.40 -1.26 -4.00 117.98 117.55 1cgu s PHE 21 Ca -0.03 1.09 -0.21 0.00 -0.60 0.00 0.00 56.93 57.18 1cgu s PHE 21 Cb -0.14 -3.89 0.10 0.00 0.51 0.00 0.00 43.02 39.60 1cgu s PHE 21 CO -0.03 -2.35 1.38 2.41 0.70 0.00 0.00 175.22 177.33 1cgu n THR 22 N 7.55 -0.53 0.28 0.64 -1.04 -1.26 0.09 114.28 120.02 1cgu n THR 22 Ca 0.27 2.12 0.16 0.00 -2.04 0.00 0.00 64.05 64.56 1cgu n THR 22 Cb 0.53 -2.72 0.82 0.00 -1.82 0.00 0.00 70.33 67.14 1cgu n THR 22 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1cgu h ASP 23 N 0.00 0.00 -0.24 8.00 3.58 -1.81 -2.70 116.42 123.25 1cgu h ASP 23 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1cgu h ASP 23 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1cgu h ASP 23 CO -0.87 0.07 0.00 0.54 -2.88 0.00 0.00 179.24 176.11 1cgu n ARG 24 N -3.41 1.79 0.00 0.28 5.12 0.11 -1.85 116.66 118.69 1cgu n ARG 24 Ca -0.02 -1.20 0.00 0.00 -1.93 0.00 0.00 57.85 54.71 1cgu n ARG 24 Cb 0.22 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1cgu n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1cgu n PHE 25 N 0.43 0.00 -3.66 -1.55 7.35 -1.02 -1.16 117.46 117.86 1cgu n PHE 25 Ca 0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 1cgu n PHE 25 Cb 0.33 -0.11 -0.10 0.00 0.35 0.00 0.00 39.48 39.95 1cgu n PHE 25 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1cgu s LEU 26 N -3.79 -0.55 -1.25 -2.13 1.98 -1.26 -4.40 118.68 107.27 1cgu s LEU 26 Ca 0.00 0.94 -0.20 0.00 -2.89 0.00 0.00 54.13 51.98 1cgu s LEU 26 Cb 0.00 1.29 0.01 0.00 0.66 0.00 0.00 46.19 48.14 1cgu s LEU 26 CO 0.00 -0.23 1.82 -0.62 -1.89 0.00 0.00 176.35 175.43 1cgu s ASP 27 N 2.46 6.11 0.27 3.68 -1.08 -1.26 -2.47 116.67 124.38 1cgu s ASP 27 Ca -0.02 -2.14 -0.02 0.00 -0.52 0.00 0.00 52.55 49.85 1cgu s ASP 27 Cb -0.12 -2.58 0.35 0.00 -1.46 0.00 0.00 42.92 39.11 1cgu s ASP 27 CO -0.12 -1.94 1.78 1.23 0.52 0.00 0.00 175.17 176.64 1cgu h GLY 28 N 14.64 0.88 -5.92 2.66 0.00 -1.80 -3.41 103.07 110.12 1cgu h GLY 28 Ca 0.36 -0.55 -0.55 0.00 0.00 0.00 0.00 47.33 46.58 1cgu h GLY 28 CO 1.37 0.52 -0.83 0.21 0.00 0.00 0.00 176.54 177.81 1cgu s ASN 29 N -6.61 2.15 0.00 0.19 3.84 -1.26 -4.77 114.94 108.47 1cgu s ASN 29 Ca -0.10 -0.37 0.19 0.00 0.21 0.00 0.00 52.86 52.80 1cgu s ASN 29 Cb 0.15 -0.97 0.24 0.00 -0.55 0.00 0.00 41.25 40.12 1cgu s ASN 29 CO 0.81 0.03 1.19 -2.65 -2.79 0.00 0.00 177.10 173.69 1cgu n PRO 30 N 4.01 1.96 0.04 0.43 -0.02 -1.26 -4.25 135.00 135.91 1cgu n PRO 30 Ca -0.20 -1.85 -0.06 0.00 -2.02 0.00 0.00 63.50 59.37 1cgu n PRO 30 Cb 0.52 -1.40 -0.11 0.00 -0.02 0.00 0.00 33.50 32.49 1cgu n PRO 30 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1cgu h SER 31 N 3.78 0.00 -0.74 2.55 0.02 -1.97 -3.25 113.55 113.94 1cgu h SER 31 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1cgu h SER 31 Cb 0.84 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.20 1cgu h SER 31 CO 0.00 0.90 0.49 -0.46 -1.14 0.00 0.00 176.83 176.62 1cgu n ASN 32 N -3.19 6.68 -4.84 3.07 6.94 -1.26 -4.88 115.26 117.78 1cgu n ASN 32 Ca -0.06 -3.22 -0.34 0.00 -0.02 0.00 0.00 54.58 50.94 1cgu n ASN 32 Cb 0.94 -1.09 -0.06 0.00 -2.36 0.00 0.00 39.78 37.21 1cgu n ASN 32 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1cgu s ASN 33 N -0.09 6.04 1.08 0.53 -0.87 -1.23 -4.38 114.94 116.02 1cgu s ASN 33 Ca 0.43 0.27 -0.15 0.00 -1.57 0.00 0.00 52.86 51.85 1cgu s ASN 33 Cb 0.32 -1.84 0.14 0.00 -0.02 0.00 0.00 41.25 39.86 1cgu s ASN 33 CO -0.07 0.29 0.45 -2.65 -2.57 0.00 0.00 177.10 172.55 1cgu n PRO 34 N 1.24 -1.42 -3.80 -0.60 -0.02 -1.26 -5.03 135.00 124.11 1cgu n PRO 34 Ca -0.13 -0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 60.60 1cgu n PRO 34 Cb 0.53 -1.92 -0.12 0.00 -0.02 0.00 0.00 33.50 31.97 1cgu n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1cgu s THR 35 N -2.35 3.34 0.00 3.45 2.01 -1.26 -4.84 115.64 115.99 1cgu s THR 35 Ca 0.60 -1.71 0.00 0.00 0.31 0.00 0.00 61.69 60.90 1cgu s THR 35 Cb -0.18 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1cgu s THR 35 CO 0.65 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1cgu n GLY 36 N 4.65 1.20 0.17 4.40 0.00 -1.26 -4.39 105.19 109.97 1cgu n GLY 36 Ca -0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 1cgu n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgu n ALA 37 N 7.23 -0.17 1.46 4.61 0.00 -1.26 0.25 120.51 132.63 1cgu n ALA 37 Ca 0.00 0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.90 1cgu n ALA 37 Cb 0.00 -0.12 0.46 0.00 0.00 0.00 0.00 19.45 19.79 1cgu n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgu n ALA 38 N -3.73 2.32 -3.05 0.00 0.00 -1.26 -4.89 120.51 109.91 1cgu n ALA 38 Ca 0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 1cgu n ALA 38 Cb 0.13 -1.25 -0.16 0.00 0.00 0.00 0.00 19.45 18.18 1cgu n ALA 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1cgu s TYR 39 N -2.00 1.06 -0.20 0.00 5.04 0.14 -0.96 117.35 120.43 1cgu s TYR 39 Ca 0.23 -0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 54.56 1cgu s TYR 39 Cb 0.11 -0.75 0.06 0.00 0.35 0.00 0.00 41.96 41.72 1cgu s TYR 39 CO 0.18 -0.12 0.02 0.34 -1.34 0.00 0.00 175.55 174.64 1cgu s ASP 40 N 0.21 2.99 0.11 4.32 -1.08 0.16 -4.74 116.67 118.65 1cgu s ASP 40 Ca -0.04 -0.85 -0.20 0.00 -0.52 0.00 0.00 52.55 50.95 1cgu s ASP 40 Cb -0.09 -0.66 -0.07 0.00 -1.46 0.00 0.00 42.92 40.63 1cgu s ASP 40 CO 0.01 -0.29 1.71 0.00 0.52 0.00 0.00 175.17 177.12 1cgu h ALA 41 N 8.21 0.28 0.00 3.66 0.00 -1.87 -1.75 119.26 127.78 1cgu h ALA 41 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1cgu h ALA 41 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cgu h ALA 41 CO 0.34 -0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.65 1cgu n THR 42 N -4.88 0.38 -4.14 0.00 -2.24 -1.26 -4.93 114.28 97.20 1cgu n THR 42 Ca -0.03 0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.52 1cgu n THR 42 Cb 0.07 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 1cgu n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgu n SER 44 N -2.89 0.62 -4.22 0.00 7.64 -1.26 -4.61 113.62 108.90 1cgu n SER 44 Ca -0.25 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1cgu n SER 44 Cb 0.65 0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 64.05 1cgu n SER 44 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1cgu s ASN 45 N -5.89 5.87 0.05 6.43 2.47 -1.26 -4.92 114.94 117.69 1cgu s ASN 45 Ca -0.06 -2.32 0.08 0.00 0.42 0.00 0.00 52.86 50.98 1cgu s ASN 45 Cb 0.07 -2.03 0.37 0.00 -1.45 0.00 0.00 41.25 38.21 1cgu s ASN 45 CO 0.83 -0.60 1.25 0.18 -3.72 0.00 0.00 177.10 175.04 1cgu n LEU 46 N 4.36 0.10 0.02 3.21 4.32 -1.26 -1.64 117.00 126.11 1cgu n LEU 46 Ca 0.01 0.54 0.13 0.00 -0.02 0.00 0.00 56.01 56.67 1cgu n LEU 46 Cb 0.41 -0.54 0.50 0.00 -1.62 0.00 0.00 43.42 42.18 1cgu n LEU 46 CO 0.39 -0.48 0.83 0.29 -1.22 0.00 0.00 177.39 177.20 1cgu n LYS 47 N -1.63 0.05 -3.04 3.23 5.02 -1.26 -4.86 118.16 115.67 1cgu n LYS 47 Ca 0.01 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 1cgu n LYS 47 Cb 0.07 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1cgu n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cgu s LEU 48 N -3.27 3.65 0.36 -0.35 1.43 -0.65 -1.12 118.68 118.73 1cgu s LEU 48 Ca 0.13 -0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 1cgu s LEU 48 Cb 0.18 -2.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.42 1cgu s LEU 48 CO 0.58 -0.75 1.07 -0.31 0.23 0.00 0.00 176.35 177.17 1cgu s TYR 49 N -2.46 3.36 -1.61 0.29 2.02 -0.14 -4.87 117.35 113.93 1cgu s TYR 49 Ca 0.51 1.66 0.14 0.00 -0.37 0.00 0.00 57.07 59.01 1cgu s TYR 49 Cb -0.10 -3.18 0.18 0.00 -0.40 0.00 0.00 41.96 38.46 1cgu s TYR 49 CO 0.35 -0.62 1.05 0.00 -1.57 0.00 0.00 175.55 174.76 1cgu n GLY 51 N 0.79 0.96 3.77 0.00 0.00 -1.26 -4.81 105.19 104.64 1cgu n GLY 51 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1cgu n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgu s GLY 52 N -1.65 2.69 0.29 -0.02 0.00 -0.77 -4.35 107.32 103.50 1cgu s GLY 52 Ca 0.00 0.91 -0.20 0.00 0.00 0.00 0.00 44.72 45.44 1cgu s GLY 52 CO 0.00 1.29 0.85 0.51 0.00 0.00 0.00 173.10 175.75 1cgu s ASP 53 N -1.67 -0.08 0.24 1.64 -4.77 -1.03 -3.55 116.67 107.45 1cgu s ASP 53 Ca 0.74 -0.82 -0.04 0.00 -3.30 0.00 0.00 52.55 49.12 1cgu s ASP 53 Cb -0.27 0.70 0.42 0.00 -1.09 0.00 0.00 42.92 42.68 1cgu s ASP 53 CO 0.30 -1.36 1.77 -0.50 0.70 0.00 0.00 175.17 176.08 1cgu h TRP 54 N 2.00 0.68 -0.35 2.11 6.55 -1.47 -0.55 115.95 124.92 1cgu h TRP 54 Ca -0.27 0.03 0.10 0.00 0.95 0.00 0.00 58.89 59.70 1cgu h TRP 54 Cb 1.24 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 29.34 1cgu h TRP 54 CO 1.00 0.20 0.26 0.37 -1.05 0.00 0.00 178.44 179.22 1cgu h GLN 55 N 0.60 0.00 -0.33 0.49 5.75 -1.90 -1.61 115.11 118.11 1cgu h GLN 55 Ca 0.40 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1cgu h GLN 55 Cb 0.49 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1cgu h GLN 55 CO -0.32 0.00 0.21 0.78 -2.65 0.00 0.00 178.83 176.85 1cgu h GLY 56 N 0.00 0.48 1.49 2.39 0.00 -1.16 -0.87 103.07 105.40 1cgu h GLY 56 Ca 0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1cgu h GLY 56 CO -0.00 0.19 -0.39 1.41 0.00 0.00 0.00 176.54 177.74 1cgu h LEU 57 N 0.44 0.60 0.70 3.11 3.38 -1.40 -2.38 115.31 119.77 1cgu h LEU 57 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1cgu h LEU 57 Cb -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1cgu h LEU 57 CO -0.02 0.93 -0.37 0.40 0.09 0.00 0.00 178.44 179.47 1cgu h ILE 58 N 0.47 0.25 -0.55 1.22 2.04 -1.08 -0.01 117.51 119.84 1cgu h ILE 58 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 1cgu h ILE 58 Cb 0.89 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1cgu h ILE 58 CO 0.08 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.72 1cgu h ASN 59 N -0.99 -1.01 -0.90 1.72 2.35 -1.17 -1.09 115.58 114.50 1cgu h ASN 59 Ca -0.09 0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1cgu h ASN 59 Cb 0.77 0.52 -0.05 0.00 0.05 0.00 0.00 38.32 39.61 1cgu h ASN 59 CO 0.14 -0.29 0.59 0.11 -1.65 0.00 0.00 177.43 176.33 1cgu h LYS 60 N -0.15 1.12 -0.96 0.81 1.79 -0.88 -1.16 116.57 117.14 1cgu h LYS 60 Ca 0.23 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1cgu h LYS 60 Cb 0.53 -0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 1cgu h LYS 60 CO -0.64 0.74 0.62 0.82 -1.08 0.00 0.00 179.45 179.91 1cgu h ILE 61 N 1.15 1.25 -0.20 1.86 2.04 0.01 -2.24 117.51 121.39 1cgu h ILE 61 Ca 0.35 -0.48 -0.20 0.00 1.00 0.00 0.00 64.86 65.53 1cgu h ILE 61 Cb -0.04 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.90 1cgu h ILE 61 CO -0.09 0.25 -0.68 0.78 0.00 0.00 0.00 178.15 178.41 1cgu h ASN 62 N 1.30 0.90 -0.33 1.72 2.35 -0.57 -3.09 115.58 117.85 1cgu h ASN 62 Ca 0.35 -0.54 -0.12 0.00 -0.55 0.00 0.00 56.30 55.44 1cgu h ASN 62 Cb -0.13 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 37.91 1cgu h ASN 62 CO -0.07 1.33 0.15 -0.90 -1.65 0.00 0.00 177.43 176.29 1cgu n ASP 63 N -3.95 3.16 -3.91 5.81 5.68 -0.50 -4.88 116.55 117.95 1cgu n ASP 63 Ca -0.06 -2.54 -0.30 0.00 -0.50 0.00 0.00 54.79 51.39 1cgu n ASP 63 Cb 0.69 -0.61 0.03 0.00 -1.14 0.00 0.00 41.12 40.09 1cgu n ASP 63 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1cgu n ASN 64 N 0.02 -4.74 -0.00 -1.12 3.02 -1.17 -4.95 115.26 106.31 1cgu n ASN 64 Ca 0.19 -0.78 -0.12 0.00 -0.03 0.00 0.00 54.58 53.84 1cgu n ASN 64 Cb 0.83 -3.90 -0.10 0.00 -0.61 0.00 0.00 39.78 36.01 1cgu n ASN 64 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1cgu h TYR 65 N -2.09 -0.06 -0.63 3.10 3.20 -1.65 -2.93 116.97 115.90 1cgu h TYR 65 Ca -0.58 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.21 1cgu h TYR 65 Cb 1.38 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 1cgu h TYR 65 CO 0.57 0.52 0.08 0.74 -1.64 0.00 0.00 178.16 178.42 1cgu h PHE 66 N -0.73 1.13 -0.23 -3.82 0.04 -1.88 -1.45 116.94 110.00 1cgu h PHE 66 Ca -0.01 -0.16 -0.19 0.00 2.80 0.00 0.00 57.97 60.42 1cgu h PHE 66 Cb 0.61 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1cgu h PHE 66 CO 0.13 0.96 -0.59 0.66 -0.60 0.00 0.00 178.31 178.87 1cgu h SER 67 N 0.98 0.86 -0.01 2.17 4.64 -1.80 0.27 113.55 120.67 1cgu h SER 67 Ca 0.19 -0.48 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1cgu h SER 67 Cb 0.46 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1cgu h SER 67 CO 0.02 1.26 -0.33 0.44 -0.87 0.00 0.00 176.83 177.35 1cgu h ASP 68 N 0.57 0.49 1.03 4.97 5.19 -1.27 -2.17 116.42 125.22 1cgu h ASP 68 Ca 0.00 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.17 1cgu h ASP 68 Cb 1.19 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1cgu h ASP 68 CO 0.12 0.79 -0.24 0.25 -3.12 0.00 0.00 179.24 177.04 1cgu h LEU 69 N 0.40 0.00 0.00 1.55 5.85 -1.12 -3.45 115.31 118.55 1cgu h LEU 69 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1cgu h LEU 69 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1cgu h LEU 69 CO 0.06 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 1cgu n GLY 70 N 0.30 0.97 3.75 3.75 0.00 0.89 -3.21 105.19 111.65 1cgu n GLY 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cgu n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cgu s VAL 71 N -2.77 2.19 -0.56 1.61 -7.23 -0.83 -4.67 120.40 108.13 1cgu s VAL 71 Ca 0.00 0.16 0.11 0.00 -1.81 0.00 0.00 61.98 60.44 1cgu s VAL 71 Cb 0.00 -3.10 0.30 0.00 0.56 0.00 0.00 36.38 34.13 1cgu s VAL 71 CO 0.00 0.03 1.24 0.35 -0.31 0.00 0.00 175.10 176.41 1cgu n THR 72 N 1.99 1.32 -3.58 5.32 -2.24 -1.00 -4.52 114.28 111.57 1cgu n THR 72 Ca 0.07 -1.26 -0.14 0.00 -2.27 0.00 0.00 64.05 60.46 1cgu n THR 72 Cb 0.38 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 1cgu n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgu s ALA 73 N -1.49 -1.29 -0.04 6.98 0.00 -1.03 -1.38 121.76 123.51 1cgu s ALA 73 Ca 0.24 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.75 1cgu s ALA 73 Cb 0.15 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1cgu s ALA 73 CO 0.11 -0.52 -0.09 -0.51 0.00 0.00 0.00 175.76 174.75 1cgu s LEU 74 N -2.04 1.68 -0.38 0.00 1.43 -0.01 -0.46 118.68 118.90 1cgu s LEU 74 Ca -0.05 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1cgu s LEU 74 Cb -0.01 -0.59 0.07 0.00 0.03 0.00 0.00 46.19 45.70 1cgu s LEU 74 CO -0.03 0.04 0.17 0.86 0.23 0.00 0.00 176.35 177.62 1cgu s TRP 75 N 0.40 3.36 0.50 0.29 -0.00 0.13 -1.30 118.94 122.32 1cgu s TRP 75 Ca -0.07 -1.77 0.00 0.00 -0.00 0.00 0.00 56.10 54.27 1cgu s TRP 75 Cb -0.11 -2.72 0.01 0.00 -0.00 0.00 0.00 33.47 30.66 1cgu s TRP 75 CO 0.01 -0.84 0.73 0.96 -0.00 0.00 0.00 176.95 177.81 1cgu s ILE 76 N 1.33 3.42 0.58 5.86 -0.00 -0.65 -2.27 121.20 129.47 1cgu s ILE 76 Ca 0.02 -0.53 -0.20 0.00 -0.00 0.00 0.00 60.65 59.94 1cgu s ILE 76 Cb -0.22 -3.28 -0.05 0.00 -0.00 0.00 0.00 42.46 38.92 1cgu s ILE 76 CO 0.00 -0.20 1.14 -1.20 -0.00 0.00 0.00 174.94 174.67 1cgu n SER 77 N -2.23 1.57 -4.65 4.36 7.64 -1.26 -2.65 113.62 116.40 1cgu n SER 77 Ca 0.04 0.88 -0.49 0.00 1.01 0.00 0.00 58.87 60.31 1cgu n SER 77 Cb 0.58 -1.47 -0.05 0.00 -1.01 0.00 0.00 64.21 62.27 1cgu n SER 77 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cgu n GLN 78 N -1.08 1.77 0.00 1.43 7.27 -1.26 -4.29 117.38 121.22 1cgu n GLN 78 Ca 0.13 0.64 0.13 0.00 0.07 0.00 0.00 57.00 57.97 1cgu n GLN 78 Cb 0.46 -2.38 0.34 0.00 2.41 0.00 0.00 30.24 31.07 1cgu n GLN 78 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1cgu n PRO 79 N 3.91 1.16 -1.88 3.69 -0.04 -1.26 -4.58 135.00 135.99 1cgu n PRO 79 Ca 0.19 -0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 62.59 1cgu n PRO 79 Cb 0.25 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 1cgu n PRO 79 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cgu s VAL 80 N -2.36 4.47 -0.09 0.52 -7.23 -1.26 0.35 120.40 114.81 1cgu s VAL 80 Ca 0.27 0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 61.02 1cgu s VAL 80 Cb 0.20 -3.71 -0.07 0.00 0.56 0.00 0.00 36.38 33.36 1cgu s VAL 80 CO 0.47 -0.98 2.02 -0.70 -0.31 0.00 0.00 175.10 175.61 1cgu s GLU 81 N -4.94 3.71 0.47 4.82 2.12 -0.95 -4.04 118.70 119.89 1cgu s GLU 81 Ca 0.57 2.28 -0.00 0.00 0.36 0.00 0.00 54.97 58.17 1cgu s GLU 81 Cb -0.12 -4.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.04 1cgu s GLU 81 CO 0.50 -1.44 0.70 -0.80 -0.54 0.00 0.00 175.26 173.68 1cgu s ASN 82 N 5.90 5.82 0.49 -1.70 0.02 -1.26 0.05 114.94 124.26 1cgu s ASN 82 Ca 0.91 0.35 -0.21 0.00 -1.02 0.00 0.00 52.86 52.89 1cgu s ASN 82 Cb -0.37 -1.57 -0.10 0.00 0.02 0.00 0.00 41.25 39.23 1cgu s ASN 82 CO 0.38 -0.74 0.67 2.30 0.02 0.00 0.00 177.10 179.72 1cgu n ILE 83 N -2.14 2.23 -0.03 0.60 -5.35 -0.53 -4.68 119.36 109.46 1cgu n ILE 83 Ca 0.02 -0.50 0.04 0.00 -0.27 0.00 0.00 62.75 62.04 1cgu n ILE 83 Cb 0.58 -0.77 -0.15 0.00 -1.74 0.00 0.00 39.64 37.56 1cgu n ILE 83 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1cgu n PHE 84 N -1.14 0.00 -1.71 4.28 3.72 -1.26 -4.66 117.46 116.69 1cgu n PHE 84 Ca 0.11 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.12 1cgu n PHE 84 Cb 0.43 -0.60 0.04 0.00 -0.94 0.00 0.00 39.48 38.41 1cgu n PHE 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cgu n ALA 85 N -2.35 1.26 -2.76 4.37 0.00 -1.26 -4.97 120.51 114.81 1cgu n ALA 85 Ca -0.12 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 1cgu n ALA 85 Cb 0.70 -2.29 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 1cgu n ALA 85 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1cgu s THR 86 N -1.30 5.30 -0.23 0.00 -1.32 -1.26 -4.65 115.64 112.17 1cgu s THR 86 Ca 0.69 0.15 -0.06 0.00 -1.21 0.00 0.00 61.69 61.26 1cgu s THR 86 Cb -0.44 -3.40 -0.02 0.00 -1.51 0.00 0.00 72.50 67.12 1cgu s THR 86 CO 0.51 0.46 0.04 -0.63 -2.21 0.00 0.00 174.62 172.79 1cgu s ILE 87 N 0.25 4.10 -0.58 5.08 1.01 -0.52 -4.83 121.20 125.70 1cgu s ILE 87 Ca 0.08 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 1cgu s ILE 87 Cb -0.11 -2.89 0.06 0.00 0.01 0.00 0.00 42.46 39.52 1cgu s ILE 87 CO -0.01 0.38 0.88 0.21 0.00 0.00 0.00 174.94 176.40 1cgu s ASN 88 N 1.40 6.25 -0.35 3.58 2.47 -1.26 -0.50 114.94 126.53 1cgu s ASN 88 Ca 0.05 -0.72 -0.11 0.00 0.42 0.00 0.00 52.86 52.50 1cgu s ASN 88 Cb -0.15 -2.40 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 1cgu s ASN 88 CO 0.02 -1.24 0.20 -0.31 -3.72 0.00 0.00 177.10 172.05 1cgu s TYR 89 N 3.69 3.22 -0.71 0.43 2.02 -0.97 -4.61 117.35 120.42 1cgu s TYR 89 Ca 0.24 -0.72 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1cgu s TYR 89 Cb -0.16 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 1cgu s TYR 89 CO 0.14 -0.55 0.49 0.43 -1.57 0.00 0.00 175.55 174.50 1cgu n SER 90 N 5.01 -3.80 0.00 2.29 7.64 -1.26 -2.02 113.62 121.48 1cgu n SER 90 Ca -0.13 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1cgu n SER 90 Cb 0.48 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1cgu n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cgu n GLY 91 N -1.48 2.75 3.53 0.23 0.00 -1.26 -5.01 105.19 103.95 1cgu n GLY 91 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1cgu n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cgu s VAL 92 N -0.92 4.64 -0.01 1.61 0.11 -0.86 -5.06 120.40 119.91 1cgu s VAL 92 Ca 0.00 -0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 1cgu s VAL 92 Cb 0.00 -3.15 -0.08 0.00 -1.53 0.00 0.00 36.38 31.62 1cgu s VAL 92 CO 0.00 0.36 2.01 -0.89 -3.33 0.00 0.00 175.10 173.25 1cgu s THR 93 N 1.26 3.03 -0.12 5.04 2.01 -1.26 -2.29 115.64 123.31 1cgu s THR 93 Ca 0.05 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1cgu s THR 93 Cb -0.14 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1cgu s THR 93 CO 0.04 -0.01 -0.03 0.20 -0.69 0.00 0.00 174.62 174.13 1cgu s ASN 94 N 5.12 4.89 0.37 3.53 0.02 0.34 -4.61 114.94 124.59 1cgu s ASN 94 Ca 0.90 -0.03 0.08 0.00 -1.02 0.00 0.00 52.86 52.79 1cgu s ASN 94 Cb -0.41 -1.57 -0.03 0.00 0.02 0.00 0.00 41.25 39.27 1cgu s ASN 94 CO 0.40 0.27 0.28 0.42 0.02 0.00 0.00 177.10 178.49 1cgu s THR 95 N -0.22 3.08 -0.27 1.60 -4.23 -0.28 -1.43 115.64 113.89 1cgu s THR 95 Ca 0.04 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1cgu s THR 95 Cb -0.13 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.89 1cgu s THR 95 CO 0.02 -0.11 1.78 0.00 -0.54 0.00 0.00 174.62 175.78 1cgu n ALA 96 N -1.38 4.65 -0.09 3.99 0.00 -1.26 -4.60 120.51 121.82 1cgu n ALA 96 Ca -0.00 -1.54 0.26 0.00 0.00 0.00 0.00 53.44 52.16 1cgu n ALA 96 Cb 0.61 -1.31 0.66 0.00 0.00 0.00 0.00 19.45 19.41 1cgu n ALA 96 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1cgu h TYR 97 N 1.07 0.00 -0.01 0.00 -0.00 -1.90 -1.26 116.97 114.86 1cgu h TYR 97 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.02 1cgu h TYR 97 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1cgu h TYR 97 CO 0.78 0.00 -0.00 -2.39 -0.00 0.00 0.00 178.16 176.55 1cgu n HIS 98 N -3.64 0.00 -1.92 0.10 1.44 -1.26 -4.61 115.22 105.32 1cgu n HIS 98 Ca 0.16 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.75 1cgu n HIS 98 Cb 1.04 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 31.12 1cgu n HIS 98 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1cgu n GLY 99 N 1.17 0.36 0.00 -1.39 0.00 -0.47 -4.63 105.19 100.23 1cgu n GLY 99 Ca 0.19 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1cgu n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cgu n TYR 100 N -3.55 0.00 -2.69 1.61 4.01 -1.26 -4.17 117.16 111.10 1cgu n TYR 100 Ca -0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.19 1cgu n TYR 100 Cb 0.53 -0.05 0.02 0.00 -0.31 0.00 0.00 39.34 39.53 1cgu n TYR 100 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1cgu n TRP 101 N -1.36 2.67 -0.72 -0.72 8.01 -1.26 -4.76 117.44 119.30 1cgu n TRP 101 Ca 0.01 -2.56 -0.32 0.00 -1.31 0.00 0.00 57.50 53.32 1cgu n TRP 101 Cb 0.18 -1.22 0.15 0.00 -2.01 0.00 0.00 31.31 28.41 1cgu n TRP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1cgu n ALA 102 N 0.21 -2.02 -0.66 6.99 0.00 -1.06 -1.45 120.51 122.52 1cgu n ALA 102 Ca 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1cgu n ALA 102 Cb 0.27 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1cgu n ALA 102 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1cgu n ARG 103 N -2.88 0.00 -3.15 0.00 1.85 0.11 -4.07 116.66 108.53 1cgu n ARG 103 Ca 0.08 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.98 1cgu n ARG 103 Cb 0.53 -0.12 -0.01 0.00 -1.05 0.00 0.00 32.46 31.82 1cgu n ARG 103 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1cgu s ASP 104 N 0.00 -1.21 0.32 2.89 -1.08 -0.57 -1.58 116.67 115.44 1cgu s ASP 104 Ca 0.00 0.45 0.26 0.00 -0.52 0.00 0.00 52.55 52.74 1cgu s ASP 104 Cb 0.00 1.89 0.87 0.00 -1.46 0.00 0.00 42.92 44.21 1cgu s ASP 104 CO 0.00 -0.22 1.76 -0.26 0.52 0.00 0.00 175.17 176.97 1cgu h PHE 105 N 7.91 0.00 -0.38 -5.34 0.04 -1.84 -2.47 116.94 114.86 1cgu h PHE 105 Ca -0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1cgu h PHE 105 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1cgu h PHE 105 CO 0.12 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.46 1cgu n LYS 106 N -2.53 2.58 -4.22 1.51 4.01 -1.26 -4.90 118.16 113.35 1cgu n LYS 106 Ca 0.04 -1.67 -0.13 0.00 -0.51 0.00 0.00 58.31 56.04 1cgu n LYS 106 Cb 0.37 -1.62 -0.10 0.00 -0.51 0.00 0.00 35.03 33.17 1cgu n LYS 106 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1cgu s LYS 107 N -1.70 1.29 0.35 1.97 1.02 -1.11 -4.79 119.74 116.76 1cgu s LYS 107 Ca 0.30 -1.69 0.06 0.00 0.02 0.00 0.00 55.97 54.66 1cgu s LYS 107 Cb 0.19 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.72 1cgu s LYS 107 CO 0.15 -0.41 0.50 0.95 -0.92 0.00 0.00 175.35 175.61 1cgu s THR 108 N -4.04 4.06 -0.45 2.17 -4.23 -1.26 -2.58 115.64 109.31 1cgu s THR 108 Ca 0.39 -0.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.68 1cgu s THR 108 Cb 0.06 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.52 1cgu s THR 108 CO 0.14 -0.18 1.11 0.21 -0.54 0.00 0.00 174.62 175.36 1cgu s ASN 109 N -4.18 6.68 0.43 3.99 3.84 0.16 -3.46 114.94 122.40 1cgu s ASN 109 Ca 0.45 0.55 0.09 0.00 0.21 0.00 0.00 52.86 54.16 1cgu s ASN 109 Cb -0.10 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.99 1cgu s ASN 109 CO 0.32 -1.17 2.06 -0.65 -2.79 0.00 0.00 177.10 174.87 1cgu h PRO 110 N 9.00 0.41 0.00 0.43 0.11 -1.89 0.13 132.00 140.20 1cgu h PRO 110 Ca -0.23 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1cgu h PRO 110 Cb 1.06 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1cgu h PRO 110 CO 1.10 0.30 -0.19 1.88 -0.21 0.00 0.00 178.00 180.88 1cgu h TYR 111 N 0.42 0.00 0.16 0.65 0.05 -1.92 -2.92 116.97 113.41 1cgu h TYR 111 Ca 0.11 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.54 1cgu h TYR 111 Cb -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1cgu h TYR 111 CO 0.00 0.19 -1.79 0.74 -1.05 0.00 0.00 178.16 176.24 1cgu h PHE 112 N 0.00 0.60 0.00 4.88 0.04 -1.31 -3.42 116.94 117.73 1cgu h PHE 112 Ca -0.00 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1cgu h PHE 112 Cb 0.56 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1cgu h PHE 112 CO 0.00 1.65 0.00 0.41 -0.60 0.00 0.00 178.31 179.77 1cgu n GLY 113 N 1.86 -2.46 2.00 -1.45 0.00 -0.23 -1.24 105.19 103.67 1cgu n GLY 113 Ca -0.25 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 1cgu n GLY 113 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cgu n THR 114 N 1.14 0.00 0.09 2.61 -2.24 -1.26 -3.99 114.28 110.63 1cgu n THR 114 Ca 0.00 -0.77 -0.04 0.00 -2.27 0.00 0.00 64.05 60.97 1cgu n THR 114 Cb 0.00 -1.21 0.16 0.00 -2.10 0.00 0.00 70.33 67.18 1cgu n THR 114 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1cgu h MET 115 N 0.00 0.24 0.01 -0.78 2.86 -1.97 0.68 114.93 115.98 1cgu h MET 115 Ca -0.18 -0.14 -0.21 0.00 -2.06 0.00 0.00 59.70 57.11 1cgu h MET 115 Cb 0.63 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1cgu h MET 115 CO 0.18 0.71 -0.91 0.00 1.06 0.00 0.00 176.91 177.95 1cgu h ALA 116 N 1.26 0.47 -0.48 6.32 0.00 -1.99 -0.81 119.26 124.04 1cgu h ALA 116 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 1cgu h ALA 116 Cb 0.99 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1cgu h ALA 116 CO 0.08 0.92 -0.04 -0.44 0.00 0.00 0.00 179.25 179.77 1cgu h ASP 117 N 0.11 0.86 0.42 0.00 3.32 -1.82 0.40 116.42 119.71 1cgu h ASP 117 Ca -0.05 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1cgu h ASP 117 Cb 1.55 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1cgu h ASP 117 CO 0.14 0.98 -0.44 0.15 -1.72 0.00 0.00 179.24 178.35 1cgu h PHE 118 N 0.72 -1.21 -0.74 4.55 3.57 -0.68 -2.02 116.94 121.13 1cgu h PHE 118 Ca 0.13 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.81 1cgu h PHE 118 Cb 0.57 0.47 -0.12 0.00 2.79 0.00 0.00 35.95 39.66 1cgu h PHE 118 CO 0.04 -0.60 0.13 1.96 -2.23 0.00 0.00 178.31 177.61 1cgu h GLN 119 N -0.88 0.20 -0.76 1.11 4.20 -1.04 -0.90 115.11 117.04 1cgu h GLN 119 Ca -0.04 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.83 1cgu h GLN 119 Cb 0.78 -0.05 -0.13 0.00 0.30 0.00 0.00 27.48 28.39 1cgu h GLN 119 CO -0.08 0.13 0.04 -0.97 -0.67 0.00 0.00 178.83 177.29 1cgu h ASN 120 N 0.21 -0.29 0.31 1.46 -0.00 -0.56 -1.92 115.58 114.79 1cgu h ASN 120 Ca 0.42 0.19 -0.02 0.00 -0.00 0.00 0.00 56.30 56.89 1cgu h ASN 120 Cb 0.73 0.32 0.00 0.00 -0.00 0.00 0.00 38.32 39.38 1cgu h ASN 120 CO -0.56 -0.17 -0.15 0.25 -0.00 0.00 0.00 177.43 176.80 1cgu h LEU 121 N 0.12 -0.36 -1.05 0.34 6.46 -0.45 0.01 115.31 120.38 1cgu h LEU 121 Ca 0.43 -0.06 0.29 0.00 -0.12 0.00 0.00 57.88 58.42 1cgu h LEU 121 Cb 0.76 0.09 -0.13 0.00 -0.73 0.00 0.00 40.66 40.65 1cgu h LEU 121 CO -0.65 -0.17 0.60 0.40 -0.62 0.00 0.00 178.44 178.00 1cgu h ILE 122 N -0.53 0.40 0.00 4.05 1.08 -0.79 0.18 117.51 121.89 1cgu h ILE 122 Ca -0.04 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1cgu h ILE 122 Cb 0.39 -0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 1cgu h ILE 122 CO 0.07 0.08 -0.07 0.74 -0.69 0.00 0.00 178.15 178.28 1cgu h THR 123 N 0.41 1.01 -0.16 -0.27 2.02 -1.27 -1.24 112.91 113.41 1cgu h THR 123 Ca 0.70 -1.78 0.05 0.00 0.77 0.00 0.00 66.41 66.14 1cgu h THR 123 Cb 1.54 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 1cgu h THR 123 CO -0.53 0.34 0.23 0.74 0.37 0.00 0.00 175.52 176.68 1cgu h THR 124 N -1.00 0.34 0.08 3.16 2.02 0.11 -0.20 112.91 117.42 1cgu h THR 124 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1cgu h THR 124 Cb 0.61 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1cgu h THR 124 CO -0.01 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 1cgu h ALA 125 N 1.69 -0.21 -0.26 6.16 0.00 -0.77 -3.19 119.26 122.70 1cgu h ALA 125 Ca 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1cgu h ALA 125 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1cgu h ALA 125 CO -0.00 -0.20 0.21 0.45 0.00 0.00 0.00 179.25 179.71 1cgu h HIS 126 N -0.49 0.00 -0.59 0.00 3.86 -0.48 0.46 115.15 117.91 1cgu h HIS 126 Ca -0.01 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 1cgu h HIS 126 Cb 0.09 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 1cgu h HIS 126 CO 0.02 0.00 0.20 0.00 0.86 0.00 0.00 177.93 179.02 1cgu h ALA 127 N 1.83 0.75 -0.72 2.45 0.00 -1.17 -1.15 119.26 121.24 1cgu h ALA 127 Ca 0.12 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 1cgu h ALA 127 Cb 0.53 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.25 1cgu h ALA 127 CO -0.00 -0.22 0.32 1.63 0.00 0.00 0.00 179.25 180.98 1cgu n LYS 128 N -5.02 3.23 -3.70 0.00 5.02 0.16 -4.92 118.16 112.93 1cgu n LYS 128 Ca 0.08 -2.77 -0.25 0.00 -2.02 0.00 0.00 58.31 53.36 1cgu n LYS 128 Cb 0.27 -2.12 0.06 0.00 -0.02 0.00 0.00 35.03 33.22 1cgu n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cgu n GLY 129 N -0.27 -0.48 3.18 0.72 0.00 -0.44 -4.99 105.19 102.92 1cgu n GLY 129 Ca 0.41 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 1cgu n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cgu s ILE 130 N -3.35 2.63 0.40 -0.61 1.01 -1.00 -4.72 121.20 115.55 1cgu s ILE 130 Ca 0.49 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 1cgu s ILE 130 Cb -0.23 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 1cgu s ILE 130 CO 0.77 0.36 1.14 -0.54 0.00 0.00 0.00 174.94 176.67 1cgu s LYS 131 N 1.33 4.10 -0.04 2.79 1.02 -0.48 -3.61 119.74 124.85 1cgu s LYS 131 Ca 0.03 1.76 -0.07 0.00 0.02 0.00 0.00 55.97 57.71 1cgu s LYS 131 Cb -0.15 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1cgu s LYS 131 CO -0.07 -0.26 0.22 0.42 -0.92 0.00 0.00 175.35 174.73 1cgu s ILE 132 N -1.46 5.37 -0.02 2.17 -1.09 -1.26 -0.83 121.20 124.08 1cgu s ILE 132 Ca 0.57 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1cgu s ILE 132 Cb -0.29 -3.51 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1cgu s ILE 132 CO 0.36 0.48 0.02 -0.69 -1.23 0.00 0.00 174.94 173.88 1cgu s VAL 133 N -1.18 0.01 0.24 2.92 1.01 -0.42 -0.56 120.40 122.42 1cgu s VAL 133 Ca 0.22 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1cgu s VAL 133 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1cgu s VAL 133 CO 0.12 0.11 0.05 0.27 0.00 0.00 0.00 175.10 175.64 1cgu s ILE 134 N 1.05 3.76 0.22 2.22 -4.36 -0.76 -1.63 121.20 121.69 1cgu s ILE 134 Ca -0.09 -1.69 -0.18 0.00 -0.26 0.00 0.00 60.65 58.42 1cgu s ILE 134 Cb -0.13 -2.99 -0.08 0.00 1.25 0.00 0.00 42.46 40.51 1cgu s ILE 134 CO -0.03 -0.32 0.70 -1.81 0.24 0.00 0.00 174.94 173.72 1cgu s ASP 135 N -3.57 7.00 -0.10 4.36 1.11 -1.08 -0.22 116.67 124.17 1cgu s ASP 135 Ca 0.31 1.36 -0.05 0.00 0.18 0.00 0.00 52.55 54.35 1cgu s ASP 135 Cb -0.07 -2.40 0.05 0.00 1.07 0.00 0.00 42.92 41.57 1cgu s ASP 135 CO 0.21 0.03 0.22 0.12 1.18 0.00 0.00 175.17 176.93 1cgu s PHE 136 N -1.54 -0.29 -0.78 4.23 5.36 -0.31 -4.03 117.98 120.62 1cgu s PHE 136 Ca 0.43 0.72 0.03 0.00 -0.96 0.00 0.00 56.93 57.15 1cgu s PHE 136 Cb -0.16 -0.01 0.29 0.00 -0.34 0.00 0.00 43.02 42.80 1cgu s PHE 136 CO 0.20 -0.23 1.08 0.00 -1.46 0.00 0.00 175.22 174.81 1cgu n ALA 137 N 4.37 4.66 0.50 11.12 0.00 -1.26 -1.01 120.51 138.89 1cgu n ALA 137 Ca -0.23 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 48.45 1cgu n ALA 137 Cb 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1cgu n ALA 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cgu n PRO 138 N 0.71 0.26 -0.04 0.00 -0.04 -1.26 -3.17 135.00 131.47 1cgu n PRO 138 Ca 0.31 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1cgu n PRO 138 Cb 0.37 -1.01 -0.14 0.00 -0.04 0.00 0.00 33.50 32.68 1cgu n PRO 138 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1cgu n ASN 139 N -0.42 0.79 -3.63 3.54 5.15 -1.26 -4.87 115.26 114.55 1cgu n ASN 139 Ca 0.00 0.31 -0.06 0.00 -0.60 0.00 0.00 54.58 54.23 1cgu n ASN 139 Cb 0.01 0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.34 1cgu n ASN 139 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1cgu s HIS 140 N -2.57 -0.10 0.00 1.20 -3.43 -1.19 -1.92 115.29 107.27 1cgu s HIS 140 Ca -0.07 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 1cgu s HIS 140 Cb 0.07 0.72 0.00 0.00 -1.43 0.00 0.00 32.58 31.94 1cgu s HIS 140 CO 0.82 -1.19 0.00 0.25 -2.00 0.00 0.00 174.74 172.62 1cgu n THR 141 N -0.49 0.00 -4.06 -5.38 -2.24 -1.16 -4.73 114.28 96.23 1cgu n THR 141 Ca -0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1cgu n THR 141 Cb 0.60 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1cgu n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cgu s SER 142 N -1.00 0.85 0.51 3.42 1.04 -1.26 -2.55 113.70 114.71 1cgu s SER 142 Ca 0.00 -1.46 -0.22 0.00 0.48 0.00 0.00 55.95 54.75 1cgu s SER 142 Cb 0.00 0.69 -0.06 0.00 0.10 0.00 0.00 66.02 66.75 1cgu s SER 142 CO 0.00 -1.35 1.24 -2.84 0.98 0.00 0.00 173.24 171.27 1cgu s PRO 143 N -2.93 3.44 -0.15 4.02 0.02 -1.26 -0.88 135.00 137.26 1cgu s PRO 143 Ca 0.29 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 1cgu s PRO 143 Cb -0.01 -2.29 0.13 0.00 0.02 0.00 0.00 34.50 32.34 1cgu s PRO 143 CO 0.20 -0.86 1.01 0.00 -0.33 0.00 0.00 177.00 177.02 1cgu s ALA 144 N -1.47 -1.93 -0.13 -1.55 0.00 -0.53 -3.44 121.76 112.70 1cgu s ALA 144 Ca 0.68 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 54.15 1cgu s ALA 144 Cb -0.33 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1cgu s ALA 144 CO 0.39 -0.37 -0.09 -1.64 0.00 0.00 0.00 175.76 174.05 1cgu s MET 145 N -1.44 3.38 0.05 0.00 -1.94 -1.25 -4.81 119.30 113.29 1cgu s MET 145 Ca 0.00 -0.61 -0.21 0.00 -1.71 0.00 0.00 55.69 53.16 1cgu s MET 145 Cb -0.01 -2.72 -0.13 0.00 2.01 0.00 0.00 34.83 33.98 1cgu s MET 145 CO -0.01 0.30 1.48 1.49 -0.01 0.00 0.00 175.02 178.27 1cgu h GLU 146 N 6.46 0.24 0.00 2.03 4.81 -1.99 -2.71 114.58 123.42 1cgu h GLU 146 Ca -0.31 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1cgu h GLU 146 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1cgu h GLU 146 CO 0.58 0.48 0.00 0.25 -0.73 0.00 0.00 179.01 179.59 1cgu n THR 147 N -4.77 0.95 -3.51 0.32 -2.24 -1.26 -4.44 114.28 99.33 1cgu n THR 147 Ca -0.06 0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.88 1cgu n THR 147 Cb 0.21 -1.40 -0.13 0.00 -2.10 0.00 0.00 70.33 66.91 1cgu n THR 147 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cgu s ASP 148 N -4.09 3.23 0.57 3.42 2.15 -1.02 -4.93 116.67 116.00 1cgu s ASP 148 Ca 0.01 -1.88 0.27 0.00 0.43 0.00 0.00 52.55 51.39 1cgu s ASP 148 Cb 0.08 -0.43 1.67 0.00 -0.30 0.00 0.00 42.92 43.94 1cgu s ASP 148 CO 0.30 -0.36 2.20 0.71 -0.17 0.00 0.00 175.17 177.85 1cgu h THR 149 N 5.56 0.61 0.00 1.71 1.35 -1.78 -2.59 112.91 117.77 1cgu h THR 149 Ca -0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1cgu h THR 149 Cb 0.98 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1cgu h THR 149 CO 0.34 0.03 0.00 0.77 -0.25 0.00 0.00 175.52 176.41 1cgu h SER 150 N 0.00 0.00 -3.35 5.36 4.64 -1.91 -3.39 113.55 114.90 1cgu h SER 150 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1cgu h SER 150 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 1cgu h SER 150 CO 0.00 0.00 0.20 0.12 -0.87 0.00 0.00 176.83 176.29 1cgu s PHE 151 N -3.76 3.51 0.00 4.77 5.36 -0.97 -4.90 117.98 121.98 1cgu s PHE 151 Ca -0.00 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 1cgu s PHE 151 Cb 0.10 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 1cgu s PHE 151 CO 0.51 -0.05 0.00 0.00 -1.46 0.00 0.00 175.22 174.21 1cgu n ALA 152 N 4.40 0.00 -0.97 11.12 0.00 -1.26 -1.99 120.51 131.80 1cgu n ALA 152 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1cgu n ALA 152 Cb 0.50 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.29 1cgu n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cgu n GLU 153 N 14.00 4.01 -3.95 0.00 1.02 -1.26 -4.94 120.64 129.52 1cgu n GLU 153 Ca 0.00 -3.05 -0.29 0.00 -0.02 0.00 0.00 57.16 53.80 1cgu n GLU 153 Cb 0.00 -2.11 0.01 0.00 -0.02 0.00 0.00 31.44 29.32 1cgu n GLU 153 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1cgu n ASN 154 N 0.09 -3.20 0.00 1.62 2.85 -0.84 -1.99 115.26 113.79 1cgu n ASN 154 Ca 0.27 -0.87 0.00 0.00 -0.11 0.00 0.00 54.58 53.87 1cgu n ASN 154 Cb 1.11 -3.56 0.00 0.00 1.24 0.00 0.00 39.78 38.57 1cgu n ASN 154 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cgu n GLY 155 N -1.66 0.06 3.65 8.20 0.00 -1.22 -1.01 105.19 113.21 1cgu n GLY 155 Ca -0.06 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.43 1cgu n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cgu n ARG 156 N 0.41 1.33 -4.17 1.61 1.74 -0.84 -4.60 116.66 112.14 1cgu n ARG 156 Ca 0.00 0.48 -0.34 0.00 -0.77 0.00 0.00 57.85 57.22 1cgu n ARG 156 Cb 0.42 -2.17 -0.14 0.00 -1.02 0.00 0.00 32.46 29.55 1cgu n ARG 156 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1cgu s LEU 157 N 1.93 2.83 -0.14 0.55 2.96 -0.60 -4.68 118.68 121.52 1cgu s LEU 157 Ca 0.90 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1cgu s LEU 157 Cb -0.95 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1cgu s LEU 157 CO 0.53 0.04 0.03 -0.31 -1.32 0.00 0.00 176.35 175.32 1cgu s TYR 158 N 1.10 3.21 -0.33 5.38 1.51 -0.61 -0.87 117.35 126.73 1cgu s TYR 158 Ca 0.01 0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 55.98 1cgu s TYR 158 Cb -0.15 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1cgu s TYR 158 CO -0.01 0.26 0.45 0.34 -1.11 0.00 0.00 175.55 175.48 1cgu s ASP 159 N -0.13 6.27 -0.80 2.29 2.15 0.14 -4.20 116.67 122.39 1cgu s ASP 159 Ca 0.06 -0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.91 1cgu s ASP 159 Cb -0.12 -2.24 0.10 0.00 -0.30 0.00 0.00 42.92 40.36 1cgu s ASP 159 CO 0.02 -0.40 0.25 -3.20 -0.17 0.00 0.00 175.17 171.67 1cgu n ASN 160 N 5.58 -1.28 0.00 -0.34 5.15 -1.26 -0.25 115.26 122.86 1cgu n ASN 160 Ca -0.06 -0.28 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1cgu n ASN 160 Cb 0.49 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1cgu n ASN 160 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cgu n GLY 161 N -0.72 3.14 3.64 8.20 0.00 -1.26 -5.04 105.19 113.16 1cgu n GLY 161 Ca 0.05 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1cgu n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cgu s THR 162 N -0.25 4.03 -0.32 2.61 2.01 0.65 -4.95 115.64 119.42 1cgu s THR 162 Ca 0.00 1.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.90 1cgu s THR 162 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 1cgu s THR 162 CO 0.00 -0.32 1.41 -0.22 -0.69 0.00 0.00 174.62 174.80 1cgu s LEU 163 N 4.33 3.78 0.03 4.42 2.96 -1.26 0.25 118.68 133.18 1cgu s LEU 163 Ca 0.61 1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 55.52 1cgu s LEU 163 Cb -0.21 -3.54 -0.33 0.00 0.50 0.00 0.00 46.19 42.61 1cgu s LEU 163 CO 0.23 -1.24 1.02 0.58 -1.32 0.00 0.00 176.35 175.61 1cgu h VAL 164 N 6.18 1.31 0.00 1.68 2.07 -1.65 -3.47 116.25 122.36 1cgu h VAL 164 Ca -0.28 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.64 1cgu h VAL 164 Cb 1.11 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1cgu h VAL 164 CO 1.04 0.78 0.00 0.61 0.02 0.00 0.00 177.57 180.02 1cgu n GLY 165 N 1.61 3.64 1.76 2.17 0.00 -0.05 -4.99 105.19 109.32 1cgu n GLY 165 Ca -0.16 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1cgu n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgu n GLY 166 N -1.16 2.61 0.10 -0.02 0.00 -1.26 -1.56 105.19 103.90 1cgu n GLY 166 Ca 0.00 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.66 1cgu n GLY 166 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1cgu h TYR 167 N 0.41 0.25 -3.95 1.61 3.20 -1.33 -3.37 116.97 113.80 1cgu h TYR 167 Ca -0.15 -0.12 -0.49 0.00 3.14 0.00 0.00 58.73 61.11 1cgu h TYR 167 Cb 0.58 -0.04 0.03 0.00 1.54 0.00 0.00 36.73 38.84 1cgu h TYR 167 CO 0.00 0.86 0.44 0.99 -1.64 0.00 0.00 178.16 178.80 1cgu s THR 168 N -3.44 3.57 -1.18 1.81 2.01 -1.26 -3.81 115.64 113.34 1cgu s THR 168 Ca -0.16 1.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.91 1cgu s THR 168 Cb 0.02 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1cgu s THR 168 CO 0.73 0.05 0.74 0.59 -0.69 0.00 0.00 174.62 176.04 1cgu n ASN 169 N 0.01 -4.43 -4.07 3.53 4.13 -1.26 -4.88 115.26 108.29 1cgu n ASN 169 Ca 0.05 -1.01 -0.43 0.00 1.68 0.00 0.00 54.58 54.87 1cgu n ASN 169 Cb 0.49 -3.35 0.00 0.00 -1.54 0.00 0.00 39.78 35.38 1cgu n ASN 169 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1cgu n ASP 170 N -2.73 6.02 0.30 6.41 2.03 -1.25 -4.85 116.55 122.49 1cgu n ASP 170 Ca -0.13 -3.31 0.17 0.00 0.52 0.00 0.00 54.79 52.04 1cgu n ASP 170 Cb 0.61 -1.26 0.97 0.00 -0.72 0.00 0.00 41.12 40.71 1cgu n ASP 170 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1cgu h THR 171 N 3.49 0.32 0.00 5.18 2.02 -1.91 -2.00 112.91 120.01 1cgu h THR 171 Ca 0.19 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1cgu h THR 171 Cb 0.69 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1cgu h THR 171 CO 1.22 0.03 -0.73 0.78 0.37 0.00 0.00 175.52 177.19 1cgu h ASN 172 N 0.00 0.00 -3.24 4.18 2.35 -1.98 -3.48 115.58 113.41 1cgu h ASN 172 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1cgu h ASN 172 Cb 0.11 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.53 1cgu h ASN 172 CO 0.00 0.09 -0.22 0.61 -1.65 0.00 0.00 177.43 176.26 1cgu n GLY 173 N 1.18 0.28 0.00 2.83 0.00 -0.75 -4.96 105.19 103.76 1cgu n GLY 173 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.94 1cgu n GLY 173 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cgu n TYR 174 N -1.89 0.00 -4.18 1.61 4.01 -1.26 -4.75 117.16 110.71 1cgu n TYR 174 Ca -0.06 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.52 1cgu n TYR 174 Cb 0.54 -0.40 -0.13 0.00 -0.31 0.00 0.00 39.34 39.04 1cgu n TYR 174 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1cgu s PHE 175 N -2.81 0.84 0.02 -0.72 0.08 -1.26 0.06 117.98 114.20 1cgu s PHE 175 Ca 0.19 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 1cgu s PHE 175 Cb 0.18 -0.50 -0.08 0.00 -0.57 0.00 0.00 43.02 42.05 1cgu s PHE 175 CO 0.46 -0.02 1.78 -1.01 -0.10 0.00 0.00 175.22 176.33 1cgu s HIS 176 N -0.96 1.85 -0.67 0.36 3.76 0.28 -4.68 115.29 115.22 1cgu s HIS 176 Ca -0.03 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1cgu s HIS 176 Cb -0.08 -4.07 0.33 0.00 1.11 0.00 0.00 32.58 29.88 1cgu s HIS 176 CO 0.01 -4.56 1.12 0.72 -0.85 0.00 0.00 174.74 171.17 1cgu n HIS 177 N 6.79 3.79 -0.76 1.40 -0.00 -1.26 -4.40 115.22 120.78 1cgu n HIS 177 Ca 0.18 -3.71 0.08 0.00 -0.00 0.00 0.00 57.72 54.26 1cgu n HIS 177 Cb 0.41 -0.64 0.23 0.00 -0.00 0.00 0.00 29.99 30.00 1cgu n HIS 177 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1cgu n ASN 178 N -0.17 3.67 0.00 0.41 4.13 -1.26 -5.08 115.26 116.96 1cgu n ASN 178 Ca 0.34 -2.72 0.00 0.00 1.68 0.00 0.00 54.58 53.88 1cgu n ASN 178 Cb 0.36 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 1cgu n ASN 178 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cgu n GLY 179 N -0.18 -1.17 3.85 7.41 0.00 -1.26 -4.85 105.19 108.98 1cgu n GLY 179 Ca 0.19 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1cgu n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cgu s GLY 180 N -1.96 2.09 0.31 -0.02 0.00 -1.26 -1.60 107.32 104.87 1cgu s GLY 180 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 1cgu s GLY 180 CO 0.00 -0.92 1.57 -0.45 0.00 0.00 0.00 173.10 173.31 1cgu s SER 181 N -2.49 6.37 0.00 1.64 0.15 -0.19 -4.74 113.70 114.44 1cgu s SER 181 Ca 0.32 2.97 0.22 0.00 0.70 0.00 0.00 55.95 60.16 1cgu s SER 181 Cb -0.12 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1cgu s SER 181 CO 0.25 -0.91 1.05 -0.90 1.20 0.00 0.00 173.24 173.93 1cgu n ASP 182 N 1.84 0.83 -1.26 5.45 5.68 -1.26 -4.78 116.55 123.05 1cgu n ASP 182 Ca 0.07 -0.75 -0.14 0.00 -0.50 0.00 0.00 54.79 53.47 1cgu n ASP 182 Cb 0.38 0.79 -0.04 0.00 -1.14 0.00 0.00 41.12 41.11 1cgu n ASP 182 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1cgu n PHE 183 N -1.52 -0.26 0.46 2.11 3.01 -1.26 -4.96 117.46 115.04 1cgu n PHE 183 Ca 0.04 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.62 1cgu n PHE 183 Cb 0.34 -2.66 0.47 0.00 -0.01 0.00 0.00 39.48 37.61 1cgu n PHE 183 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1cgu n SER 184 N -0.38 0.70 -3.82 4.37 3.41 -1.26 -4.85 113.62 111.79 1cgu n SER 184 Ca -0.15 0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 59.03 1cgu n SER 184 Cb 0.52 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1cgu n SER 184 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1cgu s SER 185 N -4.31 -0.18 0.18 4.04 1.04 -1.26 -5.06 113.70 108.15 1cgu s SER 185 Ca 0.06 -0.74 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 1cgu s SER 185 Cb 0.10 0.70 0.09 0.00 0.10 0.00 0.00 66.02 67.02 1cgu s SER 185 CO 0.45 -1.32 1.85 0.25 0.98 0.00 0.00 173.24 175.44 1cgu h LEU 186 N 2.06 0.70 0.28 2.42 5.85 -1.96 -1.20 115.31 123.45 1cgu h LEU 186 Ca -0.22 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1cgu h LEU 186 Cb 1.25 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1cgu h LEU 186 CO 0.27 0.51 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.66 1cgu h GLU 187 N 0.82 -0.37 0.00 1.25 4.81 -1.97 -1.21 114.58 117.91 1cgu h GLU 187 Ca 0.22 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1cgu h GLU 187 Cb -0.08 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cgu h GLU 187 CO -0.05 -0.25 -0.10 -0.97 -0.73 0.00 0.00 179.01 176.91 1cgu h ASN 188 N -0.39 0.00 0.78 1.04 -1.24 -1.93 -2.05 115.58 111.79 1cgu h ASN 188 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1cgu h ASN 188 Cb 0.30 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1cgu h ASN 188 CO 0.06 0.10 0.00 1.23 -1.29 0.00 0.00 177.43 177.53 1cgu h GLY 189 N 1.21 0.00 0.00 1.57 0.00 0.02 -3.17 103.07 102.69 1cgu h GLY 189 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1cgu h GLY 189 CO 0.01 0.00 -1.93 1.39 0.00 0.00 0.00 176.54 176.01 1cgu n ILE 190 N -2.39 1.46 1.21 2.60 5.41 -0.80 -4.29 119.36 122.56 1cgu n ILE 190 Ca 0.02 -0.18 0.13 0.00 1.00 0.00 0.00 62.75 63.71 1cgu n ILE 190 Cb 0.24 -2.02 0.37 0.00 -0.71 0.00 0.00 39.64 37.52 1cgu n ILE 190 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1cgu n TYR 191 N -4.26 0.10 -4.17 1.39 4.01 -1.01 -4.71 117.16 108.51 1cgu n TYR 191 Ca -0.38 -0.05 -0.23 0.00 -0.16 0.00 0.00 57.90 57.08 1cgu n TYR 191 Cb 0.74 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.70 1cgu n TYR 191 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1cgu s LYS 192 N -1.90 2.38 0.24 -0.72 1.02 -1.20 -4.46 119.74 115.10 1cgu s LYS 192 Ca 0.35 -1.47 -0.31 0.00 0.02 0.00 0.00 55.97 54.55 1cgu s LYS 192 Cb 0.20 -2.20 -0.12 0.00 -0.52 0.00 0.00 37.83 35.19 1cgu s LYS 192 CO 0.31 0.22 1.65 0.09 -0.92 0.00 0.00 175.35 176.70 1cgu n ASN 193 N -1.06 3.81 -4.58 2.83 3.02 -0.63 -4.47 115.26 114.17 1cgu n ASN 193 Ca -0.05 1.10 -0.41 0.00 -0.03 0.00 0.00 54.58 55.19 1cgu n ASN 193 Cb 0.60 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1cgu n ASN 193 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1cgu s LEU 194 N 0.47 3.43 0.00 3.41 0.20 -1.26 -1.02 118.68 123.92 1cgu s LEU 194 Ca 0.71 1.20 0.00 0.00 0.69 0.00 0.00 54.13 56.73 1cgu s LEU 194 Cb -0.52 -3.16 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1cgu s LEU 194 CO 0.40 -2.08 0.00 -1.22 -0.29 0.00 0.00 176.35 173.16 1cgu n TYR 195 N 11.95 0.00 -0.39 5.38 4.01 -1.26 -2.10 117.16 134.75 1cgu n TYR 195 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1cgu n TYR 195 Cb 0.49 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.52 1cgu n TYR 195 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1cgu n ASP 196 N 7.64 1.36 -4.68 7.72 5.75 -1.26 -4.80 116.55 128.28 1cgu n ASP 196 Ca 0.00 -1.74 -0.42 0.00 -0.01 0.00 0.00 54.79 52.62 1cgu n ASP 196 Cb 0.00 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 1cgu n ASP 196 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1cgu s LEU 197 N -0.75 4.19 -0.13 -2.12 1.43 -0.89 -1.46 118.68 118.95 1cgu s LEU 197 Ca 0.01 1.41 -0.31 0.00 -1.03 0.00 0.00 54.13 54.21 1cgu s LEU 197 Cb 0.01 -3.47 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1cgu s LEU 197 CO 0.00 -0.49 2.07 0.00 0.23 0.00 0.00 176.35 178.17 1cgu n ALA 198 N 5.37 1.43 -2.63 4.21 0.00 -0.06 -4.05 120.51 124.79 1cgu n ALA 198 Ca 0.08 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1cgu n ALA 198 Cb 0.48 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 1cgu n ALA 198 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cgu s ASP 199 N 6.14 6.84 0.35 0.00 2.15 -1.26 -2.96 116.67 127.92 1cgu s ASP 199 Ca 0.97 0.88 -0.28 0.00 0.43 0.00 0.00 52.55 54.54 1cgu s ASP 199 Cb -0.51 -2.52 -0.12 0.00 -0.30 0.00 0.00 42.92 39.47 1cgu s ASP 199 CO 0.43 -0.89 1.43 0.49 -0.17 0.00 0.00 175.17 176.46 1cgu n PHE 200 N 6.90 2.70 -3.04 -5.34 3.72 -0.81 0.10 117.46 121.68 1cgu n PHE 200 Ca 0.10 0.46 -0.45 0.00 -0.05 0.00 0.00 57.45 57.51 1cgu n PHE 200 Cb 0.47 -2.50 -0.02 0.00 -0.94 0.00 0.00 39.48 36.50 1cgu n PHE 200 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1cgu s ASN 201 N -0.08 6.82 0.37 4.37 2.47 0.11 -4.36 114.94 124.63 1cgu s ASN 201 Ca 0.56 -2.52 0.10 0.00 0.42 0.00 0.00 52.86 51.42 1cgu s ASN 201 Cb -0.52 -2.35 0.71 0.00 -1.45 0.00 0.00 41.25 37.64 1cgu s ASN 201 CO 0.61 -0.83 1.85 0.45 -3.72 0.00 0.00 177.10 175.45 1cgu h HIS 202 N 8.07 0.18 0.00 0.43 3.86 -1.93 -1.65 115.15 124.11 1cgu h HIS 202 Ca 0.19 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1cgu h HIS 202 Cb 0.98 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1cgu h HIS 202 CO 1.09 0.41 0.00 -0.97 0.86 0.00 0.00 177.93 179.33 1cgu h ASN 203 N 0.15 0.00 -2.99 2.45 -0.73 -1.96 -3.38 115.58 109.13 1cgu h ASN 203 Ca 0.03 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.63 1cgu h ASN 203 Cb 0.54 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.09 1cgu h ASN 203 CO 0.04 0.00 1.06 0.21 -0.37 0.00 0.00 177.43 178.37 1cgu s ASN 204 N -4.35 6.46 0.51 1.15 2.47 -0.62 -4.71 114.94 115.85 1cgu s ASN 204 Ca -0.01 1.31 0.20 0.00 0.42 0.00 0.00 52.86 54.78 1cgu s ASN 204 Cb 0.08 -2.54 1.29 0.00 -1.45 0.00 0.00 41.25 38.64 1cgu s ASN 204 CO 0.29 -1.24 2.05 0.00 -3.72 0.00 0.00 177.10 174.48 1cgu h ALA 205 N 10.27 2.24 0.10 1.71 0.00 -1.86 0.81 119.26 132.54 1cgu h ALA 205 Ca -0.30 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cgu h ALA 205 Cb 1.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1cgu h ALA 205 CO 1.03 -0.33 -0.14 1.15 0.00 0.00 0.00 179.25 180.95 1cgu h THR 206 N 0.07 0.68 -0.29 0.00 2.02 -1.94 -2.53 112.91 110.93 1cgu h THR 206 Ca 0.16 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 1cgu h THR 206 Cb 0.57 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1cgu h THR 206 CO -0.01 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 175.97 1cgu h ILE 207 N -0.29 1.28 -0.31 3.11 1.08 -1.23 0.13 117.51 121.27 1cgu h ILE 207 Ca 0.02 -1.41 -0.00 0.00 -0.39 0.00 0.00 64.86 63.07 1cgu h ILE 207 Cb 0.30 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 1cgu h ILE 207 CO -0.06 0.45 0.18 -0.78 -0.69 0.00 0.00 178.15 177.25 1cgu h ASP 208 N 0.51 0.39 0.13 1.72 3.58 -1.05 -2.54 116.42 119.16 1cgu h ASP 208 Ca 0.06 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1cgu h ASP 208 Cb 0.78 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 1cgu h ASP 208 CO 0.06 0.35 -0.18 0.50 -2.88 0.00 0.00 179.24 177.10 1cgu h LYS 209 N 0.39 -0.35 -0.71 0.28 1.63 -1.04 -3.13 116.57 113.65 1cgu h LYS 209 Ca 0.11 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.08 1cgu h LYS 209 Cb 0.05 0.08 -0.10 0.00 -0.60 0.00 0.00 32.23 31.66 1cgu h LYS 209 CO -0.02 -0.23 0.21 -0.92 -3.45 0.00 0.00 179.45 175.04 1cgu h TYR 210 N -0.36 0.33 0.00 1.91 5.03 -0.58 -2.20 116.97 121.10 1cgu h TYR 210 Ca 0.02 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.22 1cgu h TYR 210 Cb 0.36 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 1cgu h TYR 210 CO -0.17 -0.02 -0.71 0.74 -1.32 0.00 0.00 178.16 176.68 1cgu h PHE 211 N 0.32 0.00 -0.08 -3.82 0.04 -1.41 0.44 116.94 112.44 1cgu h PHE 211 Ca 0.39 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.12 1cgu h PHE 211 Cb 0.62 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.77 1cgu h PHE 211 CO -0.23 0.71 -0.09 0.87 -0.60 0.00 0.00 178.31 178.98 1cgu h LYS 212 N 0.00 0.19 -0.39 1.51 1.57 -1.46 -2.17 116.57 115.82 1cgu h LYS 212 Ca -0.01 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1cgu h LYS 212 Cb 1.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 1cgu h LYS 212 CO 0.09 0.64 0.13 -0.44 -0.57 0.00 0.00 179.45 179.31 1cgu h ASP 213 N -0.24 0.51 0.51 0.86 3.32 -1.23 -2.06 116.42 118.09 1cgu h ASP 213 Ca 0.01 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 1cgu h ASP 213 Cb 0.61 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1cgu h ASP 213 CO 0.02 0.49 -0.65 0.00 -1.72 0.00 0.00 179.24 177.38 1cgu h ALA 214 N 1.59 0.86 0.00 3.45 0.00 -0.02 -3.24 119.26 121.89 1cgu h ALA 214 Ca 0.13 -0.58 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1cgu h ALA 214 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1cgu h ALA 214 CO -0.01 0.78 -1.08 0.97 0.00 0.00 0.00 179.25 179.91 1cgu h ILE 215 N 0.09 1.39 0.00 0.00 6.09 -0.71 -3.19 117.51 121.17 1cgu h ILE 215 Ca -0.01 -3.07 -0.01 0.00 -1.37 0.00 0.00 64.86 60.40 1cgu h ILE 215 Cb 1.16 2.68 -0.00 0.00 0.47 0.00 0.00 36.82 41.12 1cgu h ILE 215 CO 0.09 0.79 -0.06 0.11 -3.07 0.00 0.00 178.15 176.01 1cgu h LYS 216 N 0.00 0.00 -0.31 2.19 1.57 -1.51 -0.07 116.57 118.44 1cgu h LYS 216 Ca -0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1cgu h LYS 216 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 1cgu h LYS 216 CO 0.11 0.06 0.18 1.25 -0.57 0.00 0.00 179.45 180.48 1cgu h LEU 217 N 0.00 0.38 0.13 2.94 5.85 -1.58 0.11 115.31 123.14 1cgu h LEU 217 Ca -0.00 -0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.38 1cgu h LEU 217 Cb 0.14 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.10 1cgu h LEU 217 CO 0.01 0.34 -1.16 -0.50 -0.34 0.00 0.00 178.44 176.79 1cgu h TRP 218 N 0.39 0.92 -0.65 1.25 4.06 -1.32 -2.47 115.95 118.12 1cgu h TRP 218 Ca 0.11 -0.59 -0.01 0.00 2.06 0.00 0.00 58.89 60.46 1cgu h TRP 218 Cb 0.04 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 1cgu h TRP 218 CO -0.04 1.44 0.36 -0.07 -3.56 0.00 0.00 178.44 176.57 1cgu h LEU 219 N 0.14 0.81 -1.95 -4.49 3.38 -1.02 0.86 115.31 113.04 1cgu h LEU 219 Ca -0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1cgu h LEU 219 Cb 1.85 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1cgu h LEU 219 CO 0.22 0.67 -0.10 0.44 0.09 0.00 0.00 178.44 179.76 1cgu h ASP 220 N 0.89 0.00 0.18 -0.43 3.32 -0.69 0.32 116.42 120.02 1cgu h ASP 220 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1cgu h ASP 220 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1cgu h ASP 220 CO -0.04 0.10 -0.00 0.23 -1.72 0.00 0.00 179.24 177.81 1cgu n MET 221 N -4.03 0.83 -0.23 3.56 2.81 0.27 -4.90 117.12 115.43 1cgu n MET 221 Ca -0.02 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1cgu n MET 221 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1cgu n MET 221 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cgu n GLY 222 N 1.10 1.36 3.75 3.03 0.00 0.11 -4.93 105.19 109.62 1cgu n GLY 222 Ca 0.21 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1cgu n GLY 222 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cgu s VAL 223 N -2.00 2.58 -0.39 1.61 -7.23 -1.23 -4.85 120.40 108.89 1cgu s VAL 223 Ca 0.00 0.37 0.10 0.00 -1.81 0.00 0.00 61.98 60.64 1cgu s VAL 223 Cb 0.00 -3.16 -0.11 0.00 0.56 0.00 0.00 36.38 33.67 1cgu s VAL 223 CO 0.00 -0.07 0.38 0.47 -0.31 0.00 0.00 175.10 175.57 1cgu n ASP 224 N -1.48 0.79 -3.55 4.85 8.00 0.27 -4.89 116.55 120.54 1cgu n ASP 224 Ca 0.13 -0.62 -0.12 0.00 0.71 0.00 0.00 54.79 54.89 1cgu n ASP 224 Cb 0.49 1.07 -0.04 0.00 -0.02 0.00 0.00 41.12 42.62 1cgu n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1cgu s GLY 225 N -2.09 -0.42 -0.15 0.44 0.00 -1.04 -3.63 107.32 100.43 1cgu s GLY 225 Ca 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.01 1cgu s GLY 225 CO 0.40 -0.01 -0.04 -0.42 0.00 0.00 0.00 173.10 173.02 1cgu s ILE 226 N -3.44 0.96 -0.45 0.90 1.01 -0.56 -1.83 121.20 117.79 1cgu s ILE 226 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 1cgu s ILE 226 Cb 0.00 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.37 1cgu s ILE 226 CO -0.10 0.15 0.48 -0.60 0.00 0.00 0.00 174.94 174.88 1cgu s ARG 227 N 1.70 3.08 0.10 2.79 3.00 0.69 -1.68 118.95 128.64 1cgu s ARG 227 Ca 0.02 -0.89 -0.26 0.00 -1.00 0.00 0.00 55.73 53.60 1cgu s ARG 227 Cb -0.15 -4.03 -0.07 0.00 0.00 0.00 0.00 34.95 30.71 1cgu s ARG 227 CO -0.08 -0.98 0.80 0.08 0.00 0.00 0.00 175.30 175.12 1cgu s VAL 228 N 2.19 4.55 0.20 7.11 1.01 -0.03 -1.16 120.40 134.27 1cgu s VAL 228 Ca 0.12 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.79 1cgu s VAL 228 Cb -0.19 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1cgu s VAL 228 CO 0.12 0.42 0.41 0.00 0.00 0.00 0.00 175.10 176.05 1cgu s ALA 229 N -0.48 3.79 -1.49 5.51 0.00 -0.18 -1.85 121.76 127.06 1cgu s ALA 229 Ca 0.39 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1cgu s ALA 229 Cb -0.22 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.85 1cgu s ALA 229 CO 0.25 0.47 0.38 0.00 0.00 0.00 0.00 175.76 176.86 1cgu n ALA 230 N -0.50 -1.89 0.23 0.00 0.00 -1.23 -4.76 120.51 112.37 1cgu n ALA 230 Ca -0.04 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.24 1cgu n ALA 230 Cb 0.53 -1.63 0.54 0.00 0.00 0.00 0.00 19.45 18.89 1cgu n ALA 230 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1cgu h VAL 231 N -1.76 0.65 0.00 0.00 -1.51 -1.54 0.35 116.25 112.44 1cgu h VAL 231 Ca -0.63 -0.96 -0.01 0.00 -1.23 0.00 0.00 66.70 63.86 1cgu h VAL 231 Cb 1.38 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.16 1cgu h VAL 231 CO 0.67 0.21 -0.06 0.50 -1.23 0.00 0.00 177.57 177.67 1cgu h LYS 232 N 0.00 0.00 -0.58 5.19 3.64 -1.90 -2.53 116.57 120.39 1cgu h LYS 232 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cgu h LYS 232 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1cgu h LYS 232 CO 0.03 0.06 0.00 0.72 -2.27 0.00 0.00 179.45 177.98 1cgu n HIS 233 N -3.24 0.86 -4.50 1.91 8.25 0.12 -4.43 115.22 114.20 1cgu n HIS 233 Ca -0.01 -0.40 -0.24 0.00 -0.26 0.00 0.00 57.72 56.81 1cgu n HIS 233 Cb 0.26 -0.05 -0.14 0.00 1.12 0.00 0.00 29.99 31.19 1cgu n HIS 233 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1cgu s MET 234 N -1.38 1.24 0.21 -0.41 -1.94 -0.95 -4.28 119.30 111.80 1cgu s MET 234 Ca 0.38 -0.97 -0.32 0.00 -1.71 0.00 0.00 55.69 53.07 1cgu s MET 234 Cb 0.21 -1.38 -0.13 0.00 2.01 0.00 0.00 34.83 35.54 1cgu s MET 234 CO 0.24 0.34 1.50 -0.35 -0.01 0.00 0.00 175.02 176.74 1cgu n PRO 235 N 1.65 2.15 -0.01 2.03 -0.04 -1.26 -4.91 135.00 134.61 1cgu n PRO 235 Ca -0.18 0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 63.95 1cgu n PRO 235 Cb 0.54 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 1cgu n PRO 235 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1cgu h LEU 236 N 4.97 0.01 -0.89 1.53 5.85 -1.90 -1.99 115.31 122.89 1cgu h LEU 236 Ca -0.45 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.39 1cgu h LEU 236 Cb 1.26 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.19 1cgu h LEU 236 CO 0.81 0.03 -0.43 0.61 -0.34 0.00 0.00 178.44 179.12 1cgu n GLY 237 N -1.14 -2.06 0.13 3.75 0.00 -1.25 -0.58 105.19 104.04 1cgu n GLY 237 Ca -0.04 1.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.89 1cgu n GLY 237 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1cgu h TRP 238 N 0.00 0.37 -0.81 1.61 7.01 -1.69 -2.11 115.95 120.32 1cgu h TRP 238 Ca 0.23 -0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.38 1cgu h TRP 238 Cb 0.45 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.35 1cgu h TRP 238 CO -0.84 0.44 0.55 1.96 -2.79 0.00 0.00 178.44 177.76 1cgu h GLN 239 N 0.19 0.26 -0.07 2.65 4.20 -0.58 -1.97 115.11 119.79 1cgu h GLN 239 Ca 0.07 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1cgu h GLN 239 Cb 0.25 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1cgu h GLN 239 CO -0.00 0.17 -0.34 -0.22 -0.67 0.00 0.00 178.83 177.77 1cgu h LYS 240 N 0.27 0.35 -0.66 1.46 3.64 -0.18 -0.83 116.57 120.62 1cgu h LYS 240 Ca 0.41 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1cgu h LYS 240 Cb 1.19 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1cgu h LYS 240 CO -0.10 0.93 0.13 0.77 -2.27 0.00 0.00 179.45 178.91 1cgu h SER 241 N -0.14 1.01 -0.59 4.20 0.02 -1.10 -0.25 113.55 116.69 1cgu h SER 241 Ca -0.02 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1cgu h SER 241 Cb 1.00 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1cgu h SER 241 CO 0.07 0.98 0.38 -0.25 -1.14 0.00 0.00 176.83 176.87 1cgu h TRP 242 N 1.00 0.77 -0.55 3.45 7.01 -1.36 0.74 115.95 127.01 1cgu h TRP 242 Ca 0.21 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 1cgu h TRP 242 Cb 0.39 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1cgu h TRP 242 CO 0.03 0.50 0.14 1.98 -2.79 0.00 0.00 178.44 178.30 1cgu h MET 243 N 0.80 0.87 -0.16 2.65 4.05 -0.76 -1.10 114.93 121.28 1cgu h MET 243 Ca 0.22 -0.20 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 1cgu h MET 243 Cb -0.06 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1cgu h MET 243 CO -0.04 0.81 -0.42 1.03 0.23 0.00 0.00 176.91 178.51 1cgu h SER 244 N 0.77 0.41 -0.47 1.39 0.87 -0.17 -0.01 113.55 116.33 1cgu h SER 244 Ca 0.17 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1cgu h SER 244 Cb 0.33 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1cgu h SER 244 CO 0.00 0.79 0.22 0.77 -0.53 0.00 0.00 176.83 178.07 1cgu h SER 245 N 0.32 0.63 0.48 6.23 4.64 -0.66 -1.87 113.55 123.31 1cgu h SER 245 Ca 0.03 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1cgu h SER 245 Cb 0.88 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1cgu h SER 245 CO 0.07 0.59 -0.25 0.40 -0.87 0.00 0.00 176.83 176.78 1cgu h ILE 246 N 0.62 0.49 -0.71 0.95 2.04 0.20 -3.18 117.51 117.92 1cgu h ILE 246 Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.13 1cgu h ILE 246 Cb 0.14 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1cgu h ILE 246 CO -0.02 0.00 0.47 1.88 0.00 0.00 0.00 178.15 180.48 1cgu h TYR 247 N -0.67 0.59 -0.60 1.37 0.05 -0.93 0.20 116.97 116.99 1cgu h TYR 247 Ca -0.06 0.02 0.17 0.00 0.05 0.00 0.00 58.73 58.91 1cgu h TYR 247 Cb 0.53 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1cgu h TYR 247 CO -0.06 0.27 0.59 0.00 -1.05 0.00 0.00 178.16 177.91 1cgu h ALA 248 N 1.65 2.38 0.00 3.88 0.00 -1.32 -3.36 119.26 122.49 1cgu h ALA 248 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1cgu h ALA 248 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cgu h ALA 248 CO -0.11 -0.90 -0.12 1.58 0.00 0.00 0.00 179.25 179.70 1cgu n HIS 249 N -3.75 -0.22 -3.18 0.00 -0.00 0.49 -4.99 115.22 103.57 1cgu n HIS 249 Ca 0.12 0.04 -0.16 0.00 -0.00 0.00 0.00 57.72 57.72 1cgu n HIS 249 Cb 0.81 0.06 -0.06 0.00 -0.00 0.00 0.00 29.99 30.81 1cgu n HIS 249 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1cgu s LYS 250 N -2.00 0.87 -0.42 1.57 2.20 0.10 -5.10 119.74 116.96 1cgu s LYS 250 Ca 0.00 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 53.99 1cgu s LYS 250 Cb 0.00 -0.72 -0.09 0.00 -1.51 0.00 0.00 37.83 35.51 1cgu s LYS 250 CO 0.00 -1.30 2.32 -0.35 -0.36 0.00 0.00 175.35 175.66 1cgu n PRO 251 N 3.38 1.20 -4.31 4.03 -0.04 -1.25 -4.66 135.00 133.36 1cgu n PRO 251 Ca 0.20 0.23 -0.24 0.00 -0.04 0.00 0.00 63.50 63.65 1cgu n PRO 251 Cb 0.50 -2.89 -0.08 0.00 -0.04 0.00 0.00 33.50 30.99 1cgu n PRO 251 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cgu s VAL 252 N 9.33 2.96 0.07 0.52 -7.23 -1.26 -4.54 120.40 120.25 1cgu s VAL 252 Ca 1.06 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.96 1cgu s VAL 252 Cb -0.54 -2.78 -0.07 0.00 0.56 0.00 0.00 36.38 33.56 1cgu s VAL 252 CO 0.38 -0.29 1.38 0.12 -0.31 0.00 0.00 175.10 176.38 1cgu s PHE 253 N -2.43 3.12 -0.08 2.82 5.36 -0.25 -4.89 117.98 121.62 1cgu s PHE 253 Ca 0.33 0.93 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 1cgu s PHE 253 Cb -0.03 -3.66 0.02 0.00 -0.34 0.00 0.00 43.02 39.01 1cgu s PHE 253 CO 0.19 -2.33 -0.07 0.99 -1.46 0.00 0.00 175.22 172.55 1cgu s THR 254 N 1.56 0.85 0.05 0.12 2.01 -1.26 -1.50 115.64 117.46 1cgu s THR 254 Ca 0.64 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.46 1cgu s THR 254 Cb -0.34 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 1cgu s THR 254 CO 0.29 0.32 -0.17 0.72 -0.69 0.00 0.00 174.62 175.08 1cgu s PHE 255 N 1.27 1.52 0.28 4.92 -0.71 -0.68 -2.11 117.98 122.46 1cgu s PHE 255 Ca -0.04 -0.38 0.12 0.00 -1.04 0.00 0.00 56.93 55.59 1cgu s PHE 255 Cb -0.14 -0.89 -0.05 0.00 -1.21 0.00 0.00 43.02 40.73 1cgu s PHE 255 CO -0.02 0.08 -0.17 0.20 -1.34 0.00 0.00 175.22 173.97 1cgu s GLY 256 N -1.29 1.84 -0.24 1.99 0.00 0.85 -0.85 107.32 109.62 1cgu s GLY 256 Ca 0.04 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 1cgu s GLY 256 CO 0.02 -1.92 -0.03 -1.83 0.00 0.00 0.00 173.10 169.34 1cgu s GLU 257 N -3.52 3.09 -0.47 2.90 -1.05 -0.77 -1.18 118.70 117.69 1cgu s GLU 257 Ca 0.30 -0.82 -0.11 0.00 -0.15 0.00 0.00 54.97 54.20 1cgu s GLU 257 Cb -0.05 -3.05 0.11 0.00 -0.44 0.00 0.00 34.13 30.69 1cgu s GLU 257 CO 0.16 -0.33 0.36 -0.46 0.95 0.00 0.00 175.26 175.94 1cgu s TRP 258 N 1.41 3.37 0.23 4.83 -0.11 -1.26 -1.53 118.94 125.89 1cgu s TRP 258 Ca 0.03 -1.67 -0.30 0.00 1.22 0.00 0.00 56.10 55.37 1cgu s TRP 258 Cb -0.16 -3.43 -0.10 0.00 -1.50 0.00 0.00 33.47 28.28 1cgu s TRP 258 CO -0.03 -0.96 1.50 0.12 -4.62 0.00 0.00 176.95 172.96 1cgu s PHE 259 N 1.43 2.99 0.14 5.86 5.36 -1.26 -4.83 117.98 127.66 1cgu s PHE 259 Ca 0.05 0.87 0.07 0.00 -0.96 0.00 0.00 56.93 56.95 1cgu s PHE 259 Cb -0.26 -3.89 -0.04 0.00 -0.34 0.00 0.00 43.02 38.49 1cgu s PHE 259 CO 0.01 -3.04 -0.16 -0.51 -1.46 0.00 0.00 175.22 170.05 1cgu s LEU 260 N 0.07 2.41 0.00 6.12 1.43 -1.26 -5.06 118.68 122.38 1cgu s LEU 260 Ca 0.63 -0.82 0.20 0.00 -1.03 0.00 0.00 54.13 53.11 1cgu s LEU 260 Cb -0.43 -0.70 0.27 0.00 0.03 0.00 0.00 46.19 45.36 1cgu s LEU 260 CO 0.40 -0.08 1.23 0.61 0.23 0.00 0.00 176.35 178.74 1cgu n GLY 261 N 0.48 1.17 3.73 -3.19 0.00 -1.26 -4.90 105.19 101.23 1cgu n GLY 261 Ca -0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 1cgu n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cgu s SER 262 N -1.46 -0.21 0.33 1.61 1.04 -1.26 -4.97 113.70 108.78 1cgu s SER 262 Ca 0.29 -0.38 0.26 0.00 0.48 0.00 0.00 55.95 56.60 1cgu s SER 262 Cb 0.18 0.51 1.13 0.00 0.10 0.00 0.00 66.02 67.94 1cgu s SER 262 CO 0.26 -0.93 1.77 0.00 0.98 0.00 0.00 173.24 175.33 1cgu h ALA 263 N 2.00 1.00 -2.90 5.32 0.00 -1.85 -3.37 119.26 119.46 1cgu h ALA 263 Ca -0.23 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.13 1cgu h ALA 263 Cb 1.24 0.00 0.12 0.00 0.00 0.00 0.00 17.79 19.14 1cgu h ALA 263 CO 0.26 0.00 0.71 0.00 0.00 0.00 0.00 179.25 180.22 1cgu n ALA 264 N -1.84 2.09 -2.18 0.00 0.00 -1.26 -4.88 120.51 112.43 1cgu n ALA 264 Ca 0.01 0.30 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 1cgu n ALA 264 Cb 0.20 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 1cgu n ALA 264 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cgu s SER 265 N -0.30 6.47 -0.14 0.00 0.15 -1.26 -4.91 113.70 113.71 1cgu s SER 265 Ca 0.57 1.56 -0.05 0.00 0.70 0.00 0.00 55.95 58.73 1cgu s SER 265 Cb -0.48 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.26 1cgu s SER 265 CO 0.61 -1.19 0.05 -0.62 1.20 0.00 0.00 173.24 173.29 1cgu s ASP 266 N 3.82 5.59 0.01 5.45 2.15 -1.26 -5.05 116.67 127.39 1cgu s ASP 266 Ca 0.68 0.16 -0.26 0.00 0.43 0.00 0.00 52.55 53.56 1cgu s ASP 266 Cb -0.23 -1.81 -0.14 0.00 -0.30 0.00 0.00 42.92 40.43 1cgu s ASP 266 CO 0.27 0.29 1.07 0.00 -0.17 0.00 0.00 175.17 176.63 1cgu h ALA 267 N 5.86 -0.91 -0.97 3.66 0.00 -1.99 -1.29 119.26 123.62 1cgu h ALA 267 Ca -0.45 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.41 1cgu h ALA 267 Cb 1.19 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 1cgu h ALA 267 CO 0.62 -0.85 0.61 -0.44 0.00 0.00 0.00 179.25 179.19 1cgu h ASP 268 N -1.24 0.80 0.07 0.00 3.32 -1.99 0.20 116.42 117.58 1cgu h ASP 268 Ca -0.09 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1cgu h ASP 268 Cb 0.70 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1cgu h ASP 268 CO 0.15 0.38 -0.07 -1.13 -1.72 0.00 0.00 179.24 176.86 1cgu h ASN 269 N 0.83 -0.17 0.23 6.45 -0.73 -1.99 0.26 115.58 120.46 1cgu h ASN 269 Ca 0.50 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.69 1cgu h ASN 269 Cb 0.69 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 1cgu h ASN 269 CO -0.27 -0.10 -0.16 0.74 -0.37 0.00 0.00 177.43 177.26 1cgu h THR 270 N -0.15 0.65 -0.89 -3.57 2.02 -0.09 -1.98 112.91 108.90 1cgu h THR 270 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1cgu h THR 270 Cb 0.15 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1cgu h THR 270 CO -0.02 0.00 0.57 0.44 0.37 0.00 0.00 175.52 176.88 1cgu h ASP 271 N -0.39 0.76 0.47 4.18 5.19 -0.94 -0.57 116.42 125.13 1cgu h ASP 271 Ca -0.02 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1cgu h ASP 271 Cb 0.34 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1cgu h ASP 271 CO 0.00 0.43 -0.32 0.15 -3.12 0.00 0.00 179.24 176.38 1cgu h PHE 272 N 0.83 -0.85 -0.95 4.55 3.04 -0.73 -1.43 116.94 121.40 1cgu h PHE 272 Ca 0.42 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.57 1cgu h PHE 272 Cb 0.50 0.31 -0.11 0.00 2.56 0.00 0.00 35.95 39.21 1cgu h PHE 272 CO -0.00 -0.48 0.52 0.00 -2.02 0.00 0.00 178.31 176.33 1cgu h ALA 273 N -0.33 1.55 0.00 2.41 0.00 -0.37 -1.92 119.26 120.62 1cgu h ALA 273 Ca -0.05 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1cgu h ALA 273 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1cgu h ALA 273 CO 0.03 -0.17 -0.30 -0.91 0.00 0.00 0.00 179.25 177.90 1cgu h ASN 274 N 0.62 0.00 0.00 0.00 2.35 -1.03 -3.40 115.58 114.11 1cgu h ASN 274 Ca 0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 1cgu h ASN 274 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1cgu h ASN 274 CO -0.43 0.30 -0.55 0.29 -1.65 0.00 0.00 177.43 175.40 1cgu n LYS 275 N -3.18 3.26 0.15 0.81 5.02 -0.56 -4.71 118.16 118.95 1cgu n LYS 275 Ca 0.03 -0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.33 1cgu n LYS 275 Cb 0.65 -0.78 0.19 0.00 -0.02 0.00 0.00 35.03 35.07 1cgu n LYS 275 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1cgu h SER 276 N 0.00 0.00 0.00 4.39 4.64 -1.56 -3.47 113.55 117.55 1cgu h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cgu h SER 276 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1cgu h SER 276 CO 0.00 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1cgu n GLY 277 N 0.51 0.73 3.13 -0.77 0.00 -1.26 -4.17 105.19 103.37 1cgu n GLY 277 Ca -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1cgu n GLY 277 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1cgu s MET 278 N -0.54 0.81 0.61 1.61 0.23 -1.26 -4.93 119.30 115.82 1cgu s MET 278 Ca 0.00 -1.33 0.01 0.00 -1.03 0.00 0.00 55.69 53.35 1cgu s MET 278 Cb 0.00 0.24 0.07 0.00 -1.53 0.00 0.00 34.83 33.61 1cgu s MET 278 CO 0.00 -0.21 0.85 0.45 -2.03 0.00 0.00 175.02 174.08 1cgu s SER 279 N -2.99 4.96 0.08 -1.18 0.15 -0.90 -4.54 113.70 109.28 1cgu s SER 279 Ca 0.16 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.64 1cgu s SER 279 Cb 0.07 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 1cgu s SER 279 CO -0.03 -1.39 -0.07 -0.76 1.20 0.00 0.00 173.24 172.19 1cgu s LEU 280 N -4.88 2.44 0.30 3.45 2.01 -1.26 -0.11 118.68 120.63 1cgu s LEU 280 Ca 0.61 -0.87 -0.29 0.00 0.01 0.00 0.00 54.13 53.58 1cgu s LEU 280 Cb -0.08 -0.08 -0.11 0.00 0.01 0.00 0.00 46.19 45.93 1cgu s LEU 280 CO 0.40 -0.40 1.49 -0.76 1.01 0.00 0.00 176.35 178.10 1cgu s LEU 281 N -2.61 4.36 -1.01 1.79 1.43 -0.33 -2.59 118.68 119.72 1cgu s LEU 281 Ca 0.05 2.85 -0.14 0.00 -1.03 0.00 0.00 54.13 55.87 1cgu s LEU 281 Cb 0.01 -3.64 0.21 0.00 0.03 0.00 0.00 46.19 42.80 1cgu s LEU 281 CO -0.04 -0.80 1.08 -0.62 0.23 0.00 0.00 176.35 176.21 1cgu s ASP 282 N 0.21 6.96 0.30 2.29 -1.08 0.31 -4.77 116.67 120.89 1cgu s ASP 282 Ca 0.58 -2.88 0.11 0.00 -0.52 0.00 0.00 52.55 49.84 1cgu s ASP 282 Cb -0.45 -2.29 0.44 0.00 -1.46 0.00 0.00 42.92 39.17 1cgu s ASP 282 CO 0.50 -0.63 1.67 -0.26 0.52 0.00 0.00 175.17 176.97 1cgu h PHE 283 N 7.55 0.02 0.00 -5.34 0.04 -1.88 -1.39 116.94 115.95 1cgu h PHE 283 Ca 0.18 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.76 1cgu h PHE 283 Cb 0.95 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1cgu h PHE 283 CO 1.00 0.56 -0.87 0.00 -0.60 0.00 0.00 178.31 178.41 1cgu h ARG 284 N 0.01 0.00 -0.28 1.51 3.08 -1.86 -1.51 114.38 115.33 1cgu h ARG 284 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1cgu h ARG 284 Cb 0.98 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.03 1cgu h ARG 284 CO 0.07 0.87 -0.40 0.35 -1.07 0.00 0.00 179.97 179.79 1cgu h PHE 285 N 0.00 0.94 -0.65 3.04 3.04 -1.82 -2.94 116.94 118.55 1cgu h PHE 285 Ca -0.01 -0.31 0.09 0.00 3.98 0.00 0.00 57.97 61.72 1cgu h PHE 285 Cb 1.65 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.90 1cgu h PHE 285 CO 0.00 1.10 0.29 -0.97 -2.02 0.00 0.00 178.31 176.71 1cgu h ASN 286 N 0.52 0.35 -0.44 0.41 -0.73 -1.24 -1.10 115.58 113.34 1cgu h ASN 286 Ca 0.03 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.30 1cgu h ASN 286 Cb 0.99 0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.55 1cgu h ASN 286 CO 0.09 0.21 0.22 0.28 -0.37 0.00 0.00 177.43 177.87 1cgu h SER 287 N 0.51 0.33 -0.54 1.15 0.02 -1.26 -1.82 113.55 111.94 1cgu h SER 287 Ca 0.32 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1cgu h SER 287 Cb 0.35 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1cgu h SER 287 CO -0.27 0.23 0.29 0.00 -1.14 0.00 0.00 176.83 175.94 1cgu h ALA 288 N 1.23 0.70 -0.08 3.77 0.00 -1.27 -1.10 119.26 122.51 1cgu h ALA 288 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1cgu h ALA 288 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cgu h ALA 288 CO -0.13 0.22 -0.25 0.28 0.00 0.00 0.00 179.25 179.36 1cgu h VAL 289 N 0.73 1.22 0.22 0.00 2.07 -1.10 -0.91 116.25 118.48 1cgu h VAL 289 Ca 0.19 -1.03 -0.29 0.00 0.82 0.00 0.00 66.70 66.38 1cgu h VAL 289 Cb 0.06 1.45 0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1cgu h VAL 289 CO -0.03 0.31 -1.30 0.03 0.02 0.00 0.00 177.57 176.60 1cgu h ARG 290 N 0.13 0.47 -0.56 1.57 3.08 -1.21 -2.39 114.38 115.46 1cgu h ARG 290 Ca 0.02 -0.80 0.02 0.00 0.07 0.00 0.00 59.98 59.29 1cgu h ARG 290 Cb 0.53 0.30 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1cgu h ARG 290 CO 0.04 1.38 0.35 -0.91 -1.07 0.00 0.00 179.97 179.76 1cgu h ASN 291 N -0.01 0.58 0.12 7.04 2.35 -0.48 0.28 115.58 125.45 1cgu h ASN 291 Ca -0.23 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.34 1cgu h ASN 291 Cb 2.01 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 40.27 1cgu h ASN 291 CO 0.24 0.41 -0.80 0.58 -1.65 0.00 0.00 177.43 176.20 1cgu h VAL 292 N 0.70 1.47 0.14 2.81 2.07 -1.32 0.21 116.25 122.32 1cgu h VAL 292 Ca 0.22 -2.49 -0.36 0.00 0.82 0.00 0.00 66.70 64.89 1cgu h VAL 292 Cb -0.00 3.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1cgu h VAL 292 CO -0.09 0.69 -1.91 -0.26 0.02 0.00 0.00 177.57 176.03 1cgu h PHE 293 N -0.46 0.54 0.03 1.57 0.04 -1.37 -3.38 116.94 113.93 1cgu h PHE 293 Ca -0.15 -0.40 -0.26 0.00 2.80 0.00 0.00 57.97 59.96 1cgu h PHE 293 Cb 1.57 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.67 1cgu h PHE 293 CO 0.20 1.73 -1.39 -0.09 -0.60 0.00 0.00 178.31 178.15 1cgu h ARG 294 N 0.08 0.07 0.00 1.51 2.43 -1.12 -3.44 114.38 113.92 1cgu h ARG 294 Ca -0.39 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1cgu h ARG 294 Cb 2.06 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.65 1cgu h ARG 294 CO 0.12 1.06 -1.35 -0.25 -1.51 0.00 0.00 179.97 178.04 1cgu n ASP 295 N -4.20 0.76 -2.03 -3.80 8.00 -0.54 -4.86 116.55 109.87 1cgu n ASP 295 Ca -0.31 -0.49 -0.19 0.00 0.71 0.00 0.00 54.79 54.51 1cgu n ASP 295 Cb 0.77 1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 43.26 1cgu n ASP 295 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1cgu n ASN 296 N -1.78 -5.47 -0.01 -2.24 3.02 0.70 -4.78 115.26 104.69 1cgu n ASN 296 Ca 0.00 0.09 -0.18 0.00 -0.03 0.00 0.00 54.58 54.46 1cgu n ASN 296 Cb 0.39 -4.55 -0.14 0.00 -0.61 0.00 0.00 39.78 34.87 1cgu n ASN 296 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cgu n THR 297 N -3.68 1.72 -4.49 3.41 -2.24 -1.05 -4.95 114.28 103.00 1cgu n THR 297 Ca -0.22 -0.68 -0.25 0.00 -2.27 0.00 0.00 64.05 60.62 1cgu n THR 297 Cb 0.66 -1.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 1cgu n THR 297 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cgu s SER 298 N -6.77 3.83 0.46 3.42 0.01 -1.12 -5.01 113.70 108.52 1cgu s SER 298 Ca -0.19 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 55.98 1cgu s SER 298 Cb 0.07 -0.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1cgu s SER 298 CO 0.77 -0.19 0.06 0.54 0.41 0.00 0.00 173.24 174.83 1cgu s ASN 299 N -3.63 4.11 0.44 2.44 4.22 -1.26 -4.06 114.94 117.20 1cgu s ASN 299 Ca 0.33 -1.43 0.39 0.00 -2.14 0.00 0.00 52.86 50.01 1cgu s ASN 299 Cb 0.01 0.00 1.39 0.00 1.28 0.00 0.00 41.25 43.93 1cgu s ASN 299 CO 0.17 -0.67 1.27 0.23 -2.04 0.00 0.00 177.10 176.06 1cgu n MET 300 N -1.18 -0.00 0.15 3.55 2.81 -0.37 -0.08 117.12 121.99 1cgu n MET 300 Ca -0.10 0.90 -0.14 0.00 -1.81 0.00 0.00 57.70 56.56 1cgu n MET 300 Cb 0.66 -2.04 -0.08 0.00 -0.71 0.00 0.00 33.22 31.06 1cgu n MET 300 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1cgu h TYR 301 N 0.00 -0.30 -0.83 2.03 0.05 -1.83 -2.90 116.97 113.20 1cgu h TYR 301 Ca 0.76 -0.01 0.19 0.00 0.05 0.00 0.00 58.73 59.73 1cgu h TYR 301 Cb 2.97 0.10 -0.15 0.00 1.01 0.00 0.00 36.73 40.66 1cgu h TYR 301 CO -0.00 -0.11 -0.03 0.00 -1.05 0.00 0.00 178.16 176.97 1cgu h ALA 302 N 0.32 0.83 0.39 3.88 0.00 -0.87 -0.00 119.26 123.80 1cgu h ALA 302 Ca -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1cgu h ALA 302 Cb 0.32 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1cgu h ALA 302 CO 0.05 -0.45 -0.28 1.25 0.00 0.00 0.00 179.25 179.83 1cgu h LEU 303 N 0.07 -0.71 -0.67 0.00 5.85 -1.66 -0.58 115.31 117.60 1cgu h LEU 303 Ca 0.45 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.27 1cgu h LEU 303 Cb 0.82 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1cgu h LEU 303 CO -0.76 -0.43 0.40 -0.78 -0.34 0.00 0.00 178.44 176.53 1cgu h ASP 304 N -0.66 0.62 -0.28 1.25 3.58 -0.81 -0.06 116.42 120.06 1cgu h ASP 304 Ca -0.04 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1cgu h ASP 304 Cb 0.56 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1cgu h ASP 304 CO 0.01 0.42 0.16 0.28 -2.88 0.00 0.00 179.24 177.24 1cgu h SER 305 N 0.76 0.34 -0.28 2.28 0.02 -1.19 -1.48 113.55 114.01 1cgu h SER 305 Ca 0.28 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1cgu h SER 305 Cb 0.10 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1cgu h SER 305 CO -0.14 0.31 -0.01 -0.03 -1.14 0.00 0.00 176.83 175.82 1cgu h MET 306 N 0.35 0.07 -0.59 3.45 1.85 -0.38 0.40 114.93 120.09 1cgu h MET 306 Ca 0.10 -0.00 0.10 0.00 -0.61 0.00 0.00 59.70 59.28 1cgu h MET 306 Cb 0.03 -0.02 -0.11 0.00 0.43 0.00 0.00 31.60 31.94 1cgu h MET 306 CO -0.02 0.05 -0.39 0.82 -0.40 0.00 0.00 176.91 176.97 1cgu h ILE 307 N 0.07 0.12 -0.32 1.77 1.08 -0.79 -1.20 117.51 118.25 1cgu h ILE 307 Ca 0.13 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.54 1cgu h ILE 307 Cb 0.18 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1cgu h ILE 307 CO -0.23 0.00 -0.05 0.78 -0.69 0.00 0.00 178.15 177.95 1cgu h ASN 308 N -0.20 0.49 0.28 1.72 2.35 0.50 -1.06 115.58 119.67 1cgu h ASN 308 Ca 0.21 -0.11 -0.34 0.00 -0.55 0.00 0.00 56.30 55.51 1cgu h ASN 308 Cb 0.56 -0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.83 1cgu h ASN 308 CO -0.69 0.60 -1.50 -1.28 -1.65 0.00 0.00 177.43 172.92 1cgu h SER 309 N 0.49 0.80 -0.37 5.81 0.87 -0.04 -2.11 113.55 119.01 1cgu h SER 309 Ca 0.10 -0.88 -0.09 0.00 -1.23 0.00 0.00 61.79 59.69 1cgu h SER 309 Cb 0.40 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1cgu h SER 309 CO 0.02 1.70 -0.09 0.71 -0.53 0.00 0.00 176.83 178.64 1cgu h THR 310 N 0.14 1.26 -0.41 2.23 1.35 -1.15 0.44 112.91 116.76 1cgu h THR 310 Ca -0.26 -1.14 0.02 0.00 -0.55 0.00 0.00 66.41 64.48 1cgu h THR 310 Cb 2.16 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.56 1cgu h THR 310 CO 0.26 0.39 0.27 0.00 -0.25 0.00 0.00 175.52 176.20 1cgu h ALA 311 N 1.17 1.80 0.00 6.62 0.00 -1.13 -1.88 119.26 125.84 1cgu h ALA 311 Ca 0.13 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1cgu h ALA 311 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1cgu h ALA 311 CO 0.03 0.15 -1.22 1.15 0.00 0.00 0.00 179.25 179.36 1cgu h THR 312 N 0.47 1.21 0.18 0.00 2.02 -0.56 -3.39 112.91 112.83 1cgu h THR 312 Ca 0.16 -2.91 -0.30 0.00 0.77 0.00 0.00 66.41 64.13 1cgu h THR 312 Cb 0.07 2.58 0.02 0.00 -1.74 0.00 0.00 68.15 69.07 1cgu h THR 312 CO -0.04 0.69 -1.36 0.44 0.37 0.00 0.00 175.52 175.62 1cgu h ASP 313 N 0.00 0.60 -3.32 4.18 5.19 0.65 -3.46 116.42 120.25 1cgu h ASP 313 Ca -0.12 -0.65 -0.58 0.00 -0.62 0.00 0.00 57.03 55.07 1cgu h ASP 313 Cb 1.79 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 41.02 1cgu h ASP 313 CO 0.10 1.51 -0.19 -0.31 -3.12 0.00 0.00 179.24 177.22 1cgu s TYR 314 N -2.63 3.50 0.24 4.55 2.02 -1.02 -4.95 117.35 119.06 1cgu s TYR 314 Ca -0.06 0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 57.38 1cgu s TYR 314 Cb 0.06 -2.49 0.28 0.00 -0.40 0.00 0.00 41.96 39.41 1cgu s TYR 314 CO 0.91 0.18 1.89 -0.91 -1.57 0.00 0.00 175.55 176.06 1cgu h ASN 315 N 6.72 1.01 -2.53 2.29 2.35 -1.90 -3.29 115.58 120.22 1cgu h ASN 315 Ca -0.41 -0.01 -0.60 0.00 -0.55 0.00 0.00 56.30 54.73 1cgu h ASN 315 Cb 1.17 -0.23 -0.40 0.00 0.05 0.00 0.00 38.32 38.92 1cgu h ASN 315 CO 0.76 0.70 -0.84 0.00 -1.65 0.00 0.00 177.43 176.39 1cgu n GLN 316 N -4.49 0.92 -0.30 0.81 3.00 -1.26 -4.98 117.38 111.08 1cgu n GLN 316 Ca 0.12 -3.69 0.34 0.00 -0.01 0.00 0.00 57.00 53.76 1cgu n GLN 316 Cb 0.08 -1.85 0.75 0.00 0.00 0.00 0.00 30.24 29.22 1cgu n GLN 316 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1cgu h VAL 317 N 4.14 0.42 0.00 5.09 3.04 -1.88 -1.91 116.25 125.16 1cgu h VAL 317 Ca 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 1cgu h VAL 317 Cb 0.84 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1cgu h VAL 317 CO 0.52 0.00 0.00 0.78 -1.01 0.00 0.00 177.57 177.86 1cgu h ASN 318 N 0.00 0.00 1.07 3.17 2.35 -1.93 -2.37 115.58 117.87 1cgu h ASN 318 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1cgu h ASN 318 Cb 2.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.56 1cgu h ASN 318 CO -0.01 0.00 -0.84 0.44 -1.65 0.00 0.00 177.43 175.37 1cgu h ASP 319 N 0.00 0.00 -3.44 5.81 3.32 -1.68 -3.35 116.42 117.09 1cgu h ASP 319 Ca 0.00 -0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.49 1cgu h ASP 319 Cb 0.24 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.84 1cgu h ASP 319 CO 0.00 0.02 0.71 -1.10 -1.72 0.00 0.00 179.24 177.15 1cgu s GLN 320 N -3.32 4.31 -0.38 3.56 1.11 -0.89 -4.55 119.66 119.50 1cgu s GLN 320 Ca 0.01 2.22 -0.15 0.00 0.01 0.00 0.00 55.36 57.46 1cgu s GLN 320 Cb 0.10 -3.13 0.01 0.00 -1.01 0.00 0.00 33.01 28.97 1cgu s GLN 320 CO 0.77 -0.34 0.32 0.08 0.01 0.00 0.00 175.29 176.12 1cgu s VAL 321 N -0.11 5.22 0.40 1.09 1.01 -1.07 -1.64 120.40 125.30 1cgu s VAL 321 Ca 0.57 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1cgu s VAL 321 Cb -0.40 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1cgu s VAL 321 CO 0.43 -0.22 0.70 0.42 0.00 0.00 0.00 175.10 176.43 1cgu s THR 322 N 1.83 4.92 -0.23 3.92 -4.23 -0.65 -0.53 115.64 120.66 1cgu s THR 322 Ca 0.08 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.53 1cgu s THR 322 Cb -0.18 -3.79 0.15 0.00 1.34 0.00 0.00 72.50 70.02 1cgu s THR 322 CO 0.11 -0.59 1.17 0.72 -0.54 0.00 0.00 174.62 175.49 1cgu s PHE 323 N -2.42 -0.25 -0.30 3.99 -0.71 -1.26 -1.22 117.98 115.81 1cgu s PHE 323 Ca 0.47 0.47 0.20 0.00 -1.04 0.00 0.00 56.93 57.04 1cgu s PHE 323 Cb -0.10 0.46 0.16 0.00 -1.21 0.00 0.00 43.02 42.32 1cgu s PHE 323 CO 0.36 -0.19 1.38 -0.84 -1.34 0.00 0.00 175.22 174.59 1cgu h ILE 324 N 2.62 0.26 -2.06 -4.49 3.07 -1.92 -3.36 117.51 111.63 1cgu h ILE 324 Ca -0.18 -1.40 0.30 0.00 1.55 0.00 0.00 64.86 65.14 1cgu h ILE 324 Cb 1.18 2.01 -0.06 0.00 -0.27 0.00 0.00 36.82 39.68 1cgu h ILE 324 CO 0.24 0.15 0.80 -0.90 -1.05 0.00 0.00 178.15 177.39 1cgu n ASP 325 N -3.03 -1.09 -2.55 2.16 5.68 -1.26 -4.81 116.55 111.65 1cgu n ASP 325 Ca 0.01 -1.25 -0.03 0.00 -0.50 0.00 0.00 54.79 53.03 1cgu n ASP 325 Cb 0.61 1.70 0.02 0.00 -1.14 0.00 0.00 41.12 42.31 1cgu n ASP 325 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1cgu n ASN 326 N -0.99 -1.26 0.00 -1.12 0.23 -1.26 -4.45 115.26 106.41 1cgu n ASN 326 Ca 0.04 -1.69 0.05 0.00 -0.53 0.00 0.00 54.58 52.45 1cgu n ASN 326 Cb 0.52 2.05 0.30 0.00 -2.08 0.00 0.00 39.78 40.57 1cgu n ASN 326 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cgu n HIS 327 N -0.49 0.00 -0.36 -2.53 1.44 -1.26 -2.94 115.22 109.08 1cgu n HIS 327 Ca -0.02 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.69 1cgu n HIS 327 Cb 0.41 -0.05 0.01 0.00 0.12 0.00 0.00 29.99 30.47 1cgu n HIS 327 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1cgu n ASP 328 N -1.05 1.46 -4.34 4.39 8.00 -1.26 -4.90 116.55 118.85 1cgu n ASP 328 Ca 0.07 -1.80 -0.27 0.00 0.71 0.00 0.00 54.79 53.50 1cgu n ASP 328 Cb 0.04 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 1cgu n ASP 328 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cgu s MET 329 N -0.83 1.95 0.41 -1.24 0.23 -1.15 -4.99 119.30 113.69 1cgu s MET 329 Ca 0.02 -2.19 -0.23 0.00 -1.03 0.00 0.00 55.69 52.26 1cgu s MET 329 Cb 0.02 -0.91 -0.09 0.00 -1.53 0.00 0.00 34.83 32.32 1cgu s MET 329 CO 0.00 -0.39 1.03 -0.51 -2.03 0.00 0.00 175.02 173.13 1cgu s ASP 330 N -3.66 6.72 0.38 -1.18 1.01 -1.26 -4.52 116.67 114.16 1cgu s ASP 330 Ca 0.22 1.98 -0.25 0.00 0.71 0.00 0.00 52.55 55.20 1cgu s ASP 330 Cb 0.04 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.27 1cgu s ASP 330 CO 0.12 -0.52 0.97 0.54 0.21 0.00 0.00 175.17 176.50 1cgu n ARG 331 N -0.27 1.30 -0.11 8.23 5.12 -0.88 -4.82 116.66 125.23 1cgu n ARG 331 Ca 0.06 0.46 -0.10 0.00 -1.93 0.00 0.00 57.85 56.34 1cgu n ARG 331 Cb 0.51 -1.94 -0.02 0.00 -1.16 0.00 0.00 32.46 29.84 1cgu n ARG 331 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1cgu h PHE 332 N 1.62 0.52 -3.40 -1.55 3.04 -1.87 -3.41 116.94 111.89 1cgu h PHE 332 Ca -0.43 -0.06 -0.55 0.00 3.98 0.00 0.00 57.97 60.92 1cgu h PHE 332 Cb 1.34 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.66 1cgu h PHE 332 CO 0.44 0.54 0.18 0.21 -2.02 0.00 0.00 178.31 177.66 1cgu s LYS 333 N -5.36 4.50 0.04 1.11 2.47 -1.26 -4.89 119.74 116.35 1cgu s LYS 333 Ca -0.13 1.08 -0.03 0.00 -1.56 0.00 0.00 55.97 55.33 1cgu s LYS 333 Cb 0.09 -3.42 -0.02 0.00 -1.46 0.00 0.00 37.83 33.02 1cgu s LYS 333 CO 0.74 0.12 0.04 0.99 0.16 0.00 0.00 175.35 177.41 1cgu s THR 334 N 0.51 0.15 0.34 3.43 2.01 -1.26 -4.56 115.64 116.26 1cgu s THR 334 Ca 0.41 -1.23 0.15 0.00 0.31 0.00 0.00 61.69 61.33 1cgu s THR 334 Cb -0.20 -0.92 0.35 0.00 0.01 0.00 0.00 72.50 71.74 1cgu s THR 334 CO 0.22 -0.68 1.61 0.77 -0.69 0.00 0.00 174.62 175.86 1cgu h SER 335 N 3.73 0.26 0.84 3.53 4.64 -1.99 0.16 113.55 124.72 1cgu h SER 335 Ca -0.33 0.23 -0.14 0.00 -0.47 0.00 0.00 61.79 61.09 1cgu h SER 335 Cb 1.18 0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.50 1cgu h SER 335 CO 0.52 -0.30 -0.66 0.00 -0.87 0.00 0.00 176.83 175.53 1cgu h ALA 336 N 1.93 0.79 -2.23 5.18 0.00 -1.98 -3.44 119.26 119.50 1cgu h ALA 336 Ca 0.75 -0.60 -0.56 0.00 0.00 0.00 0.00 54.91 54.50 1cgu h ALA 336 Cb 1.82 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1cgu h ALA 336 CO -0.72 0.82 0.70 0.08 0.00 0.00 0.00 179.25 180.13 1cgu s VAL 337 N -3.32 4.52 0.65 0.00 1.01 0.57 -5.02 120.40 118.83 1cgu s VAL 337 Ca 0.00 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.66 1cgu s VAL 337 Cb 0.11 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1cgu s VAL 337 CO 0.76 -0.05 1.10 0.20 0.00 0.00 0.00 175.10 177.11 1cgu s ASN 338 N 1.36 5.22 0.10 3.32 0.01 -1.26 -4.49 114.94 119.20 1cgu s ASN 338 Ca 0.51 1.94 -0.22 0.00 -0.71 0.00 0.00 52.86 54.38 1cgu s ASN 338 Cb -0.20 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 38.81 1cgu s ASN 338 CO 0.17 -1.55 1.74 0.78 -1.51 0.00 0.00 177.10 176.73 1cgu h ASN 339 N 0.02 -0.00 -0.81 -1.22 2.35 -1.95 -2.23 115.58 111.73 1cgu h ASN 339 Ca -0.46 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.40 1cgu h ASN 339 Cb 1.24 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 39.57 1cgu h ASN 339 CO 0.55 0.01 0.53 -0.09 -1.65 0.00 0.00 177.43 176.78 1cgu h ARG 340 N 0.05 0.70 -0.59 0.81 9.65 -1.97 0.11 114.38 123.13 1cgu h ARG 340 Ca 0.03 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.78 1cgu h ARG 340 Cb 0.03 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 1cgu h ARG 340 CO -0.05 0.46 0.01 0.00 2.80 0.00 0.00 179.97 183.19 1cgu h ARG 341 N 0.72 1.04 0.07 0.20 2.47 -1.75 0.87 114.38 118.00 1cgu h ARG 341 Ca 0.38 -0.32 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1cgu h ARG 341 Cb 0.51 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1cgu h ARG 341 CO -0.15 1.01 -0.14 1.25 0.56 0.00 0.00 179.97 182.50 1cgu h LEU 342 N 0.93 -0.38 -1.35 3.04 7.12 -0.84 -1.31 115.31 122.51 1cgu h LEU 342 Ca 0.17 0.05 0.18 0.00 0.13 0.00 0.00 57.88 58.40 1cgu h LEU 342 Cb 0.54 0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.74 1cgu h LEU 342 CO 0.03 -0.20 0.59 -0.33 -0.13 0.00 0.00 178.44 178.39 1cgu h GLU 343 N -0.27 0.55 0.06 1.25 5.08 -0.69 1.00 114.58 121.56 1cgu h GLU 343 Ca 0.03 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1cgu h GLU 343 Cb 0.29 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1cgu h GLU 343 CO -0.09 0.36 -0.39 1.96 -1.00 0.00 0.00 179.01 179.86 1cgu h GLN 344 N 0.57 0.13 -1.01 2.33 4.20 -0.78 -1.37 115.11 119.19 1cgu h GLN 344 Ca 0.48 -0.23 0.23 0.00 0.06 0.00 0.00 58.65 59.19 1cgu h GLN 344 Cb 0.95 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.71 1cgu h GLN 344 CO -0.22 1.11 0.62 0.00 -0.67 0.00 0.00 178.83 179.67 1cgu h ALA 345 N 0.03 1.86 0.29 3.87 0.00 -0.85 0.81 119.26 125.27 1cgu h ALA 345 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1cgu h ALA 345 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cgu h ALA 345 CO 0.07 -0.28 -0.14 -0.07 0.00 0.00 0.00 179.25 178.83 1cgu h LEU 346 N 0.60 -0.33 -0.69 0.00 3.38 -0.77 -1.07 115.31 116.43 1cgu h LEU 346 Ca 0.61 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.44 1cgu h LEU 346 Cb 1.17 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1cgu h LEU 346 CO -0.40 0.06 -0.40 0.00 0.09 0.00 0.00 178.44 177.79 1cgu n ALA 347 N -2.50 -0.44 0.07 1.53 0.00 -0.52 -0.50 120.51 118.15 1cgu n ALA 347 Ca -0.09 0.58 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 1cgu n ALA 347 Cb 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1cgu n ALA 347 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1cgu h PHE 348 N 0.00 -1.13 -0.63 0.00 3.57 -0.86 -1.08 116.94 116.81 1cgu h PHE 348 Ca 0.11 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1cgu h PHE 348 Cb 0.28 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1cgu h PHE 348 CO -0.87 -0.43 0.31 1.15 -2.23 0.00 0.00 178.31 176.24 1cgu h THR 349 N -0.53 0.90 -0.18 4.41 2.02 0.06 -0.56 112.91 119.02 1cgu h THR 349 Ca 0.00 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1cgu h THR 349 Cb 0.54 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1cgu h THR 349 CO -0.23 0.10 0.09 -0.07 0.37 0.00 0.00 175.52 175.78 1cgu h LEU 350 N 0.57 0.24 -0.88 2.58 3.38 -0.57 -2.62 115.31 118.01 1cgu h LEU 350 Ca 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cgu h LEU 350 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cgu h LEU 350 CO -0.22 0.30 0.00 0.71 0.09 0.00 0.00 178.44 179.32 1cgu h THR 351 N 0.16 0.00 -4.11 0.22 1.35 -0.69 -3.46 112.91 106.39 1cgu h THR 351 Ca 0.06 -0.52 -0.45 0.00 -0.55 0.00 0.00 66.41 64.95 1cgu h THR 351 Cb 0.13 1.45 0.14 0.00 -1.73 0.00 0.00 68.15 68.14 1cgu h THR 351 CO -0.01 0.00 0.29 -0.44 -0.25 0.00 0.00 175.52 175.11 1cgu s SER 352 N -5.29 3.10 0.84 5.36 0.01 -0.27 -4.89 113.70 112.57 1cgu s SER 352 Ca 0.04 0.84 -0.11 0.00 1.31 0.00 0.00 55.95 58.03 1cgu s SER 352 Cb 0.09 -1.31 0.10 0.00 0.21 0.00 0.00 66.02 65.11 1cgu s SER 352 CO 0.53 -2.79 1.10 0.00 0.41 0.00 0.00 173.24 172.48 1cgu s ARG 353 N -5.36 1.67 0.91 12.44 3.03 -1.26 -4.85 118.95 125.53 1cgu s ARG 353 Ca 0.66 1.07 0.00 0.00 2.03 0.00 0.00 55.73 59.49 1cgu s ARG 353 Cb -0.13 -1.84 0.00 0.00 -1.03 0.00 0.00 34.95 31.95 1cgu s ARG 353 CO 0.54 -2.02 0.00 0.41 -1.13 0.00 0.00 175.30 173.09 1cgu n GLY 354 N -0.98 -1.73 3.14 3.88 0.00 -1.26 -4.87 105.19 103.38 1cgu n GLY 354 Ca 0.08 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1cgu n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cgu s VAL 355 N 0.00 2.59 0.07 1.61 1.01 -0.65 -4.87 120.40 120.16 1cgu s VAL 355 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 1cgu s VAL 355 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1cgu s VAL 355 CO 0.00 0.10 0.98 -2.84 0.00 0.00 0.00 175.10 173.34 1cgu s PRO 356 N 1.24 4.64 0.15 2.72 0.02 -1.26 -1.64 135.00 140.87 1cgu s PRO 356 Ca -0.03 1.46 0.10 0.00 0.02 0.00 0.00 61.00 62.54 1cgu s PRO 356 Cb -0.18 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 1cgu s PRO 356 CO -0.05 0.11 -0.23 0.00 -0.33 0.00 0.00 177.00 176.51 1cgu s ALA 357 N 0.35 2.22 -0.08 -1.55 0.00 -0.36 -0.61 121.76 121.73 1cgu s ALA 357 Ca 0.49 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1cgu s ALA 357 Cb -0.23 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1cgu s ALA 357 CO 0.29 0.40 -0.11 0.42 0.00 0.00 0.00 175.76 176.76 1cgu s ILE 358 N -1.50 1.11 0.13 0.00 1.01 -0.10 -4.55 121.20 117.30 1cgu s ILE 358 Ca 0.15 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 1cgu s ILE 358 Cb -0.08 -1.05 -0.07 0.00 0.01 0.00 0.00 42.46 41.27 1cgu s ILE 358 CO 0.07 0.36 0.93 -0.47 0.00 0.00 0.00 174.94 175.84 1cgu s TYR 359 N 1.05 3.85 0.38 3.97 5.04 -1.26 0.26 117.35 130.64 1cgu s TYR 359 Ca -0.07 1.79 -0.25 0.00 -2.44 0.00 0.00 57.07 56.10 1cgu s TYR 359 Cb -0.15 -3.01 -0.12 0.00 0.35 0.00 0.00 41.96 39.04 1cgu s TYR 359 CO -0.01 0.28 0.96 2.48 -1.34 0.00 0.00 175.55 177.91 1cgu n TYR 360 N 2.47 1.01 -1.29 4.97 4.11 0.14 -3.24 117.16 125.33 1cgu n TYR 360 Ca 0.01 0.60 -0.10 0.00 -0.00 0.00 0.00 57.90 58.41 1cgu n TYR 360 Cb 0.49 -2.21 -0.04 0.00 -0.00 0.00 0.00 39.34 37.58 1cgu n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1cgu n GLY 361 N 1.26 1.15 0.20 -7.48 0.00 -1.26 -4.90 105.19 94.17 1cgu n GLY 361 Ca 0.10 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1cgu n GLY 361 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1cgu h THR 362 N 0.00 0.54 -0.06 2.61 2.02 -1.93 -2.37 112.91 113.73 1cgu h THR 362 Ca -0.20 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.55 1cgu h THR 362 Cb 0.65 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 1cgu h THR 362 CO 0.30 0.25 -0.35 1.05 0.37 0.00 0.00 175.52 177.14 1cgu h GLU 363 N 0.00 0.11 -0.85 6.66 9.09 -1.90 -2.28 114.58 125.41 1cgu h GLU 363 Ca -0.00 -0.04 -0.03 0.00 0.05 0.00 0.00 59.36 59.33 1cgu h GLU 363 Cb 0.91 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.99 1cgu h GLU 363 CO 0.03 0.46 0.04 1.04 0.05 0.00 0.00 179.01 180.63 1cgu n GLN 364 N -4.10 2.44 -3.35 1.06 1.13 -0.93 -4.42 117.38 109.22 1cgu n GLN 364 Ca -0.02 -1.27 -0.20 0.00 -1.94 0.00 0.00 57.00 53.57 1cgu n GLN 364 Cb 0.41 -1.77 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 1cgu n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1cgu n TYR 365 N 0.20 -0.66 -1.74 1.08 4.01 -0.86 -4.90 117.16 114.28 1cgu n TYR 365 Ca 0.13 0.35 -0.42 0.00 -0.16 0.00 0.00 57.90 57.80 1cgu n TYR 365 Cb 0.68 -1.30 -0.01 0.00 -0.31 0.00 0.00 39.34 38.40 1cgu n TYR 365 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1cgu n LEU 366 N -2.73 4.20 0.00 7.72 4.77 -0.99 -4.92 117.00 125.05 1cgu n LEU 366 Ca -0.07 1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.97 1cgu n LEU 366 Cb 0.32 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 39.86 1cgu n LEU 366 CO 0.49 0.03 0.09 0.35 -1.33 0.00 0.00 177.39 177.02 1cgu n THR 367 N 1.79 0.00 0.00 -5.08 -2.24 -1.26 -4.42 114.28 103.08 1cgu n THR 367 Ca 0.08 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1cgu n THR 367 Cb 0.36 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1cgu n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cgu n GLY 368 N 2.21 3.23 3.43 3.38 0.00 -1.26 -4.71 105.19 111.47 1cgu n GLY 368 Ca 0.03 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1cgu n GLY 368 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cgu s ASN 369 N 0.00 4.09 0.13 1.61 -0.87 -1.26 -2.08 114.94 116.57 1cgu s ASN 369 Ca 0.00 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 1cgu s ASN 369 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 41.25 39.91 1cgu s ASN 369 CO 0.00 0.24 0.00 0.61 -2.57 0.00 0.00 177.10 175.38 1cgu n GLY 370 N 3.01 -2.12 3.41 0.66 0.00 -1.26 -3.92 105.19 104.97 1cgu n GLY 370 Ca -0.18 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 1cgu n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cgu s ASP 371 N -3.86 4.57 0.00 1.61 2.15 -1.26 -0.02 116.67 119.86 1cgu s ASP 371 Ca 0.00 -0.26 0.27 0.00 0.43 0.00 0.00 52.55 52.99 1cgu s ASP 371 Cb 0.00 -1.77 1.02 0.00 -0.30 0.00 0.00 42.92 41.88 1cgu s ASP 371 CO 0.00 0.07 1.73 -0.81 -0.17 0.00 0.00 175.17 175.99 1cgu n PRO 372 N 4.18 1.67 0.26 4.34 -0.04 -1.26 -4.99 135.00 139.15 1cgu n PRO 372 Ca -0.18 -0.97 0.17 0.00 -0.04 0.00 0.00 63.50 62.49 1cgu n PRO 372 Cb 0.52 -1.47 0.87 0.00 -0.04 0.00 0.00 33.50 33.38 1cgu n PRO 372 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cgu h ASP 373 N 2.31 0.00 1.21 3.54 3.32 -1.36 0.48 116.42 125.92 1cgu h ASP 373 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cgu h ASP 373 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1cgu h ASP 373 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 1cgu n ASN 374 N -2.76 0.79 -3.41 6.45 6.94 0.97 -4.06 115.26 120.17 1cgu n ASN 374 Ca -0.01 0.61 -0.40 0.00 -0.02 0.00 0.00 54.58 54.76 1cgu n ASN 374 Cb 0.12 -0.81 0.02 0.00 -2.36 0.00 0.00 39.78 36.75 1cgu n ASN 374 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1cgu n ARG 375 N -2.28 4.66 -2.04 -3.83 3.00 0.17 -4.89 116.66 111.45 1cgu n ARG 375 Ca 0.04 -4.40 -0.29 0.00 -0.01 0.00 0.00 57.85 53.20 1cgu n ARG 375 Cb 0.36 -2.41 0.05 0.00 0.00 0.00 0.00 32.46 30.46 1cgu n ARG 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cgu s ALA 376 N -4.22 2.98 0.01 7.54 0.00 -1.26 -4.95 121.76 121.86 1cgu s ALA 376 Ca 0.43 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 1cgu s ALA 376 Cb 0.26 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 1cgu s ALA 376 CO -0.20 -1.13 1.59 0.21 0.00 0.00 0.00 175.76 176.23 1cgu s LYS 377 N -5.29 4.21 -0.40 0.00 2.20 -1.26 -4.83 119.74 114.37 1cgu s LYS 377 Ca 0.58 2.18 -0.41 0.00 -0.36 0.00 0.00 55.97 57.96 1cgu s LYS 377 Cb -0.11 -3.73 -0.16 0.00 -1.51 0.00 0.00 37.83 32.32 1cgu s LYS 377 CO 0.49 -0.73 1.96 -0.12 -0.36 0.00 0.00 175.35 176.59 1cgu n MET 378 N 6.10 0.60 0.08 4.03 0.00 -0.31 -4.93 117.12 122.69 1cgu n MET 378 Ca 0.16 0.19 -0.12 0.00 -0.00 0.00 0.00 57.70 57.93 1cgu n MET 378 Cb 0.42 -1.92 -0.08 0.00 0.00 0.00 0.00 33.22 31.64 1cgu n MET 378 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1cgu h PRO 379 N 8.77 -0.23 -4.03 2.12 0.13 -1.92 -3.48 132.00 133.37 1cgu h PRO 379 Ca -0.30 0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1cgu h PRO 379 Cb 1.36 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.42 1cgu h PRO 379 CO 1.02 0.16 -0.33 -1.54 -0.23 0.00 0.00 178.00 177.08 1cgu s SER 380 N -5.36 0.02 -0.68 1.44 1.04 -1.26 -5.05 113.70 103.85 1cgu s SER 380 Ca -0.14 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.23 1cgu s SER 380 Cb 0.02 0.49 0.36 0.00 0.10 0.00 0.00 66.02 66.99 1cgu s SER 380 CO 0.56 -0.99 1.39 0.49 0.98 0.00 0.00 173.24 175.66 1cgu n PHE 381 N -0.31 3.40 -3.03 5.02 3.72 -1.26 -4.92 117.46 120.08 1cgu n PHE 381 Ca -0.01 -3.11 -0.32 0.00 -0.05 0.00 0.00 57.45 53.95 1cgu n PHE 381 Cb 0.64 -0.64 -0.06 0.00 -0.94 0.00 0.00 39.48 38.47 1cgu n PHE 381 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1cgu s SER 382 N -2.60 6.79 -0.27 4.37 1.04 -1.26 -4.93 113.70 116.83 1cgu s SER 382 Ca 0.47 1.37 0.09 0.00 0.48 0.00 0.00 55.95 58.36 1cgu s SER 382 Cb 0.33 -2.41 0.46 0.00 0.10 0.00 0.00 66.02 64.50 1cgu s SER 382 CO -0.21 -0.26 1.33 0.29 0.98 0.00 0.00 173.24 175.37 1cgu n LYS 383 N -0.52 2.12 -0.00 4.02 5.02 -1.26 -4.67 118.16 122.87 1cgu n LYS 383 Ca 0.04 -3.44 0.05 0.00 -2.02 0.00 0.00 58.31 52.94 1cgu n LYS 383 Cb 0.53 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 1cgu n LYS 383 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cgu n SER 384 N -1.03 1.04 -4.81 4.39 7.64 -1.26 -4.88 113.62 114.70 1cgu n SER 384 Ca 0.31 -0.55 -0.29 0.00 1.01 0.00 0.00 58.87 59.35 1cgu n SER 384 Cb 0.87 1.13 0.11 0.00 -1.01 0.00 0.00 64.21 65.30 1cgu n SER 384 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cgu s THR 385 N -2.17 2.51 0.13 0.44 -4.23 -1.26 -4.91 115.64 106.16 1cgu s THR 385 Ca 0.02 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1cgu s THR 385 Cb 0.07 -2.96 -0.16 0.00 1.34 0.00 0.00 72.50 70.79 1cgu s THR 385 CO 0.42 -0.22 1.33 0.74 -0.54 0.00 0.00 174.62 176.35 1cgu h THR 386 N -1.23 1.37 -0.86 3.99 2.02 -1.97 0.39 112.91 116.62 1cgu h THR 386 Ca -0.48 -2.31 0.01 0.00 0.77 0.00 0.00 66.41 64.40 1cgu h THR 386 Cb 1.30 2.30 -0.04 0.00 -1.74 0.00 0.00 68.15 69.96 1cgu h THR 386 CO 0.62 0.70 0.57 0.00 0.37 0.00 0.00 175.52 177.77 1cgu h ALA 387 N 0.74 1.40 -0.40 6.16 0.00 -1.93 0.69 119.26 125.91 1cgu h ALA 387 Ca -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cgu h ALA 387 Cb 1.50 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1cgu h ALA 387 CO 0.16 0.55 0.18 0.35 0.00 0.00 0.00 179.25 180.50 1cgu h PHE 388 N 1.15 0.59 0.36 0.00 3.04 -1.64 -1.70 116.94 118.74 1cgu h PHE 388 Ca 0.32 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.22 1cgu h PHE 388 Cb -0.12 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.22 1cgu h PHE 388 CO -0.00 0.50 -0.17 -0.97 -2.02 0.00 0.00 178.31 175.65 1cgu h ASN 389 N 0.51 -0.41 -1.00 0.41 -0.73 -0.53 -2.83 115.58 111.01 1cgu h ASN 389 Ca 0.14 -0.08 0.20 0.00 1.87 0.00 0.00 56.30 58.42 1cgu h ASN 389 Cb 0.14 0.10 -0.10 0.00 0.27 0.00 0.00 38.32 38.74 1cgu h ASN 389 CO -0.02 -0.16 0.61 0.58 -0.37 0.00 0.00 177.43 178.08 1cgu h VAL 390 N -0.64 0.69 -0.22 2.57 2.07 -0.83 -1.04 116.25 118.84 1cgu h VAL 390 Ca -0.05 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 1cgu h VAL 390 Cb 0.46 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1cgu h VAL 390 CO 0.08 0.13 -0.59 0.40 0.02 0.00 0.00 177.57 177.61 1cgu h ILE 391 N 0.70 1.30 0.00 4.57 2.04 -1.24 -1.96 117.51 122.92 1cgu h ILE 391 Ca 0.57 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 1cgu h ILE 391 Cb 0.98 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1cgu h ILE 391 CO -0.36 0.58 -0.17 0.77 0.00 0.00 0.00 178.15 178.96 1cgu h SER 392 N 0.53 0.00 0.11 1.72 4.64 -1.18 -0.28 113.55 119.08 1cgu h SER 392 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1cgu h SER 392 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1cgu h SER 392 CO 0.12 0.09 -0.78 0.11 -0.87 0.00 0.00 176.83 175.50 1cgu h LYS 393 N 0.00 0.23 0.19 4.77 1.57 -1.18 -3.42 116.57 118.72 1cgu h LYS 393 Ca -0.00 -0.39 -0.35 0.00 -1.87 0.00 0.00 60.65 58.03 1cgu h LYS 393 Cb 1.07 0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.54 1cgu h LYS 393 CO 0.01 1.19 -1.73 -0.07 -0.57 0.00 0.00 179.45 178.28 1cgu h LEU 394 N -0.49 0.62 -1.45 2.94 3.38 -1.28 -3.39 115.31 115.63 1cgu h LEU 394 Ca -0.15 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 56.86 1cgu h LEU 394 Cb 1.54 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1cgu h LEU 394 CO 0.10 1.78 0.06 0.00 0.09 0.00 0.00 178.44 180.48 1cgu h ALA 395 N 0.10 1.56 -0.50 1.53 0.00 -1.26 -1.49 119.26 119.21 1cgu h ALA 395 Ca -0.34 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1cgu h ALA 395 Cb 2.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1cgu h ALA 395 CO 0.18 0.33 0.70 -1.00 0.00 0.00 0.00 179.25 179.46 1cgu h PRO 396 N 0.42 0.00 0.00 0.00 0.13 -1.80 -2.04 132.00 128.71 1cgu h PRO 396 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1cgu h PRO 396 Cb 0.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 1cgu h PRO 396 CO -0.00 0.00 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.55 1cgu h LEU 397 N 0.00 0.00 -1.32 1.56 4.07 -1.51 -0.96 115.31 117.15 1cgu h LEU 397 Ca 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 1cgu h LEU 397 Cb 1.64 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.37 1cgu h LEU 397 CO -0.00 0.14 -0.09 0.03 -1.08 0.00 0.00 178.44 177.44 1cgu h ARG 398 N 0.00 0.35 0.00 1.13 3.08 -1.53 0.59 114.38 118.00 1cgu h ARG 398 Ca -0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1cgu h ARG 398 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1cgu h ARG 398 CO 0.02 0.45 -0.03 0.87 -1.07 0.00 0.00 179.97 180.21 1cgu h LYS 399 N 0.33 0.00 -0.58 0.04 1.79 -1.44 -3.37 116.57 113.33 1cgu h LYS 399 Ca 0.07 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.71 1cgu h LYS 399 Cb 0.38 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1cgu h LYS 399 CO 0.02 0.00 0.43 0.66 -1.08 0.00 0.00 179.45 179.48 1cgu h SER 400 N -0.28 0.00 -3.79 0.86 4.64 -1.13 -3.39 113.55 110.46 1cgu h SER 400 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1cgu h SER 400 Cb 0.03 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.75 1cgu h SER 400 CO 0.00 0.00 -0.79 0.21 -0.87 0.00 0.00 176.83 175.38 1cgu s ASN 401 N -6.08 4.31 0.43 4.97 3.84 0.21 -4.99 114.94 117.62 1cgu s ASN 401 Ca -0.05 -1.40 0.30 0.00 0.21 0.00 0.00 52.86 51.92 1cgu s ASN 401 Cb 0.20 -1.45 1.25 0.00 -0.55 0.00 0.00 41.25 40.70 1cgu s ASN 401 CO 0.73 -0.22 1.88 1.55 -2.79 0.00 0.00 177.10 178.25 1cgu h PRO 402 N 7.81 0.00 -0.66 0.43 0.13 -1.80 -1.73 132.00 136.18 1cgu h PRO 402 Ca -0.18 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.91 1cgu h PRO 402 Cb 1.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1cgu h PRO 402 CO 0.45 0.00 0.22 0.00 -0.23 0.00 0.00 178.00 178.44 1cgu h ALA 403 N 2.11 0.86 -0.17 -0.56 0.00 -1.84 0.16 119.26 119.82 1cgu h ALA 403 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1cgu h ALA 403 Cb 0.42 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1cgu h ALA 403 CO 0.00 0.52 -0.24 0.82 0.00 0.00 0.00 179.25 180.35 1cgu h ILE 404 N 0.95 1.34 0.00 0.00 1.08 -1.62 0.19 117.51 119.45 1cgu h ILE 404 Ca 0.21 -1.45 -0.08 0.00 -0.39 0.00 0.00 64.86 63.15 1cgu h ILE 404 Cb 0.27 1.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 1cgu h ILE 404 CO -0.01 0.44 -0.40 0.00 -0.69 0.00 0.00 178.15 177.49 1cgu h ALA 405 N 0.60 1.14 0.00 1.87 0.00 -1.43 -3.40 119.26 118.04 1cgu h ALA 405 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1cgu h ALA 405 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cgu h ALA 405 CO 0.06 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.47 1cgu n TYR 406 N -3.77 0.00 -1.30 0.00 4.01 0.57 -4.70 117.16 111.97 1cgu n TYR 406 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 1cgu n TYR 406 Cb 0.47 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.69 1cgu n TYR 406 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1cgu s GLY 407 N 0.00 1.58 0.87 2.72 0.00 0.66 -5.00 107.32 108.14 1cgu s GLY 407 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 1cgu s GLY 407 CO 0.00 0.06 1.09 -0.45 0.00 0.00 0.00 173.10 173.80 1cgu s SER 408 N -3.82 3.76 -0.15 1.64 0.15 -0.38 -4.80 113.70 110.09 1cgu s SER 408 Ca 0.67 1.44 -0.01 0.00 0.70 0.00 0.00 55.95 58.74 1cgu s SER 408 Cb -0.14 -2.13 0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1cgu s SER 408 CO 0.56 -2.45 -0.01 -0.89 1.20 0.00 0.00 173.24 171.64 1cgu s THR 409 N -3.00 0.78 0.02 6.45 2.01 -1.26 -3.10 115.64 117.54 1cgu s THR 409 Ca 0.63 -0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.26 1cgu s THR 409 Cb -0.17 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 1cgu s THR 409 CO 0.56 0.06 -0.23 -1.10 -0.69 0.00 0.00 174.62 173.22 1cgu s GLN 410 N 1.77 2.02 -0.00 4.92 -0.21 0.21 -4.93 119.66 123.44 1cgu s GLN 410 Ca 0.01 -0.99 -0.27 0.00 0.02 0.00 0.00 55.36 54.13 1cgu s GLN 410 Cb -0.15 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 1cgu s GLN 410 CO -0.07 0.54 0.85 -1.14 -2.12 0.00 0.00 175.29 173.35 1cgu s GLN 411 N -1.10 4.52 -0.01 2.91 0.74 -1.26 0.11 119.66 125.58 1cgu s GLN 411 Ca 0.12 1.18 0.03 0.00 0.05 0.00 0.00 55.36 56.74 1cgu s GLN 411 Cb -0.10 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 1cgu s GLN 411 CO 0.02 0.08 0.05 0.54 -0.55 0.00 0.00 175.29 175.43 1cgu n ARG 412 N 3.53 0.53 -3.64 1.67 5.12 0.30 -4.88 116.66 119.30 1cgu n ARG 412 Ca 0.02 -0.02 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 1cgu n ARG 412 Cb 0.51 -1.07 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 1cgu n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1cgu s TRP 413 N -2.17 -0.54 -0.25 -1.55 -0.00 -0.82 -4.76 118.94 108.85 1cgu s TRP 413 Ca -0.01 1.20 -0.26 0.00 -0.00 0.00 0.00 56.10 57.03 1cgu s TRP 413 Cb 0.02 0.37 0.08 0.00 -0.00 0.00 0.00 33.47 33.94 1cgu s TRP 413 CO 0.11 -0.26 0.78 -1.50 -0.00 0.00 0.00 176.95 176.08 1cgu s ILE 414 N 0.69 0.00 0.31 5.86 2.07 -1.25 0.36 121.20 129.25 1cgu s ILE 414 Ca -0.02 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 1cgu s ILE 414 Cb -0.05 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.54 1cgu s ILE 414 CO -0.10 0.00 0.44 0.54 -1.91 0.00 0.00 174.94 173.91 1cgu s ASN 415 N 0.15 0.70 0.27 4.50 2.20 -0.49 -4.96 114.94 117.32 1cgu s ASN 415 Ca -0.01 -1.39 0.08 0.00 -0.94 0.00 0.00 52.86 50.60 1cgu s ASN 415 Cb -0.04 0.62 0.81 0.00 -2.00 0.00 0.00 41.25 40.64 1cgu s ASN 415 CO 0.01 -1.22 1.27 -0.46 -2.94 0.00 0.00 177.10 173.76 1cgu n ASN 416 N -1.14 0.06 -0.18 3.54 6.94 -1.26 -1.97 115.26 121.25 1cgu n ASN 416 Ca 0.01 1.37 0.02 0.00 -0.02 0.00 0.00 54.58 55.95 1cgu n ASN 416 Cb 0.62 -0.56 0.04 0.00 -2.36 0.00 0.00 39.78 37.52 1cgu n ASN 416 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1cgu n ASP 417 N -5.03 2.13 -4.09 0.53 8.00 -1.26 -1.24 116.55 115.60 1cgu n ASP 417 Ca 0.24 -1.88 -0.26 0.00 0.71 0.00 0.00 54.79 53.60 1cgu n ASP 417 Cb 0.79 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.67 1cgu n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cgu s VAL 418 N -0.90 1.33 -0.05 2.53 1.01 -0.83 -0.64 120.40 122.85 1cgu s VAL 418 Ca 0.06 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1cgu s VAL 418 Cb 0.03 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1cgu s VAL 418 CO 0.04 0.39 -0.00 -0.47 0.00 0.00 0.00 175.10 175.07 1cgu s TYR 419 N 0.37 0.51 -0.10 5.22 5.04 0.11 -1.39 117.35 127.11 1cgu s TYR 419 Ca -0.11 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 1cgu s TYR 419 Cb -0.14 -0.63 0.02 0.00 0.35 0.00 0.00 41.96 41.56 1cgu s TYR 419 CO 0.04 -0.23 -0.12 0.08 -1.34 0.00 0.00 175.55 173.98 1cgu s VAL 420 N 1.52 1.25 0.12 3.14 1.01 0.16 0.31 120.40 127.91 1cgu s VAL 420 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1cgu s VAL 420 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1cgu s VAL 420 CO -0.03 0.40 -0.00 -0.72 0.00 0.00 0.00 175.10 174.74 1cgu s TYR 421 N 1.20 0.93 0.01 5.22 1.13 -0.43 -0.54 117.35 124.87 1cgu s TYR 421 Ca -0.03 -1.06 0.04 0.00 -1.41 0.00 0.00 57.07 54.60 1cgu s TYR 421 Cb -0.14 -0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 40.16 1cgu s TYR 421 CO -0.03 -0.31 -0.13 -2.00 -2.51 0.00 0.00 175.55 170.57 1cgu s GLU 422 N -3.94 0.96 -0.10 -3.49 2.12 0.30 -1.27 118.70 113.29 1cgu s GLU 422 Ca 0.19 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 55.01 1cgu s GLU 422 Cb 0.07 -0.94 -0.00 0.00 0.26 0.00 0.00 34.13 33.52 1cgu s GLU 422 CO -0.01 0.25 -0.24 1.03 -0.54 0.00 0.00 175.26 175.75 1cgu s ARG 423 N -0.57 3.05 -0.02 4.30 1.81 0.76 -0.62 118.95 127.65 1cgu s ARG 423 Ca 0.03 -0.87 0.01 0.00 -1.72 0.00 0.00 55.73 53.18 1cgu s ARG 423 Cb -0.06 -2.31 0.01 0.00 -0.45 0.00 0.00 34.95 32.15 1cgu s ARG 423 CO 0.00 0.19 -0.03 0.21 -0.68 0.00 0.00 175.30 174.99 1cgu s LYS 424 N 0.33 0.38 -0.16 3.54 2.20 -1.18 -0.79 119.74 124.05 1cgu s LYS 424 Ca -0.18 -0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1cgu s LYS 424 Cb -0.18 -0.44 0.05 0.00 -1.51 0.00 0.00 37.83 35.75 1cgu s LYS 424 CO 0.09 -0.02 0.01 0.12 -0.36 0.00 0.00 175.35 175.19 1cgu s PHE 425 N 0.45 1.09 0.00 4.03 5.36 0.19 -1.25 117.98 127.85 1cgu s PHE 425 Ca -0.05 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1cgu s PHE 425 Cb -0.08 -1.04 0.00 0.00 -0.34 0.00 0.00 43.02 41.56 1cgu s PHE 425 CO -0.01 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.61 1cgu n GLY 426 N 5.03 2.95 0.11 13.12 0.00 -1.26 -0.75 105.19 124.39 1cgu n GLY 426 Ca -0.09 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1cgu n GLY 426 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cgu h LYS 427 N 0.00 0.00 -6.49 1.61 1.57 -1.95 -3.46 116.57 107.85 1cgu h LYS 427 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1cgu h LYS 427 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1cgu h LYS 427 CO 0.00 0.00 0.34 -1.12 -0.57 0.00 0.00 179.45 178.10 1cgu s SER 428 N -4.87 7.43 0.32 0.86 0.01 0.08 -4.82 113.70 112.70 1cgu s SER 428 Ca 0.06 1.72 0.07 0.00 1.31 0.00 0.00 55.95 59.10 1cgu s SER 428 Cb 0.11 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 1cgu s SER 428 CO 0.71 -0.12 -0.03 -0.69 0.41 0.00 0.00 173.24 173.52 1cgu s VAL 429 N 0.30 1.69 -0.27 3.43 1.01 0.46 -0.64 120.40 126.37 1cgu s VAL 429 Ca 0.48 -2.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 1cgu s VAL 429 Cb -0.22 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.61 1cgu s VAL 429 CO 0.29 -0.19 0.69 0.00 0.00 0.00 0.00 175.10 175.89 1cgu s ALA 430 N -2.97 -1.83 -0.09 5.51 0.00 0.03 -1.13 121.76 121.28 1cgu s ALA 430 Ca 0.32 2.28 0.04 0.00 0.00 0.00 0.00 51.96 54.60 1cgu s ALA 430 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1cgu s ALA 430 CO 0.14 -0.36 -0.21 0.08 0.00 0.00 0.00 175.76 175.41 1cgu s VAL 431 N 1.22 1.82 -0.13 0.00 1.01 -0.35 -0.17 120.40 123.79 1cgu s VAL 431 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1cgu s VAL 431 Cb -0.05 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1cgu s VAL 431 CO -0.13 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.79 1cgu s VAL 432 N 0.37 4.30 -0.06 2.92 1.01 -0.40 -1.18 120.40 127.36 1cgu s VAL 432 Ca -0.16 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1cgu s VAL 432 Cb -0.17 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1cgu s VAL 432 CO 0.07 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.51 1cgu s ALA 433 N -0.16 2.40 -0.10 5.51 0.00 -0.18 -1.32 121.76 127.91 1cgu s ALA 433 Ca 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1cgu s ALA 433 Cb -0.13 -0.82 0.05 0.00 0.00 0.00 0.00 23.12 22.22 1cgu s ALA 433 CO 0.02 0.47 0.21 0.08 0.00 0.00 0.00 175.76 176.53 1cgu s VAL 434 N -0.39 -0.19 -0.57 0.00 1.01 0.15 -1.94 120.40 118.46 1cgu s VAL 434 Ca 0.04 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 1cgu s VAL 434 Cb -0.12 -0.34 0.14 0.00 0.00 0.00 0.00 36.38 36.06 1cgu s VAL 434 CO 0.02 0.10 0.49 0.21 0.00 0.00 0.00 175.10 175.92 1cgu s ASN 435 N 1.77 6.07 0.00 3.32 3.84 -1.04 0.06 114.94 128.96 1cgu s ASN 435 Ca -0.04 -2.05 0.15 0.00 0.21 0.00 0.00 52.86 51.14 1cgu s ASN 435 Cb -0.11 -2.12 0.72 0.00 -0.55 0.00 0.00 41.25 39.19 1cgu s ASN 435 CO -0.07 -0.73 1.44 -2.11 -2.79 0.00 0.00 177.10 172.84 1cgu n ARG 436 N 4.82 0.15 -2.50 0.43 1.85 0.19 -3.37 116.66 118.24 1cgu n ARG 436 Ca -0.06 0.17 -0.43 0.00 -1.00 0.00 0.00 57.85 56.54 1cgu n ARG 436 Cb 0.41 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 1cgu n ARG 436 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1cgu s ASN 437 N -2.69 6.99 -0.01 2.89 3.84 -1.26 -4.80 114.94 119.90 1cgu s ASN 437 Ca 0.12 1.59 0.05 0.00 0.21 0.00 0.00 52.86 54.84 1cgu s ASN 437 Cb 0.10 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.44 1cgu s ASN 437 CO 0.24 -0.74 1.07 0.18 -2.79 0.00 0.00 177.10 175.06 1cgu n LEU 438 N 6.53 1.27 0.00 3.21 4.77 -1.26 -0.10 117.00 131.41 1cgu n LEU 438 Ca 0.13 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1cgu n LEU 438 Cb 0.45 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1cgu n LEU 438 CO 0.55 0.27 0.00 -1.54 -1.33 0.00 0.00 177.39 175.34 1cgu n SER 439 N 0.07 0.00 -4.71 -1.43 3.41 -1.26 -4.78 113.62 104.92 1cgu n SER 439 Ca 0.06 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.32 1cgu n SER 439 Cb 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1cgu n SER 439 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cgu s THR 440 N -1.00 4.47 0.65 6.66 2.01 -1.26 -4.88 115.64 122.29 1cgu s THR 440 Ca 0.00 -0.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1cgu s THR 440 Cb 0.00 -2.89 0.07 0.00 0.01 0.00 0.00 72.50 69.69 1cgu s THR 440 CO 0.00 0.61 0.91 -0.94 -0.69 0.00 0.00 174.62 174.51 1cgu s SER 441 N -0.90 4.86 -0.14 3.53 1.04 -1.26 -3.95 113.70 116.87 1cgu s SER 441 Ca 0.13 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.54 1cgu s SER 441 Cb -0.11 -0.70 0.07 0.00 0.10 0.00 0.00 66.02 65.37 1cgu s SER 441 CO 0.02 -1.49 0.30 0.00 0.98 0.00 0.00 173.24 173.06 1cgu s ALA 442 N -3.02 -0.71 -0.00 5.32 0.00 0.16 -4.94 121.76 118.57 1cgu s ALA 442 Ca 0.61 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.38 1cgu s ALA 442 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1cgu s ALA 442 CO 0.42 -0.55 0.94 -1.12 0.00 0.00 0.00 175.76 175.44 1cgu s SER 443 N 2.17 7.32 -0.27 0.00 0.01 -1.26 -0.06 113.70 121.61 1cgu s SER 443 Ca -0.02 1.60 -0.08 0.00 1.31 0.00 0.00 55.95 58.76 1cgu s SER 443 Cb -0.11 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1cgu s SER 443 CO -0.10 -0.22 0.10 -0.63 0.41 0.00 0.00 173.24 172.80 1cgu s ILE 444 N 0.90 4.47 -0.07 1.44 -1.09 0.18 -4.95 121.20 122.08 1cgu s ILE 444 Ca 0.49 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1cgu s ILE 444 Cb -0.21 -3.15 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1cgu s ILE 444 CO 0.27 0.26 -0.11 0.42 -1.23 0.00 0.00 174.94 174.54 1cgu s THR 445 N 1.63 1.09 0.00 2.92 -4.23 -1.26 -1.88 115.64 113.91 1cgu s THR 445 Ca 0.06 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1cgu s THR 445 Cb -0.16 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1cgu s THR 445 CO 0.05 0.35 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1cgu n GLY 446 N 3.94 1.31 3.74 3.99 0.00 -1.26 -5.08 105.19 111.83 1cgu n GLY 446 Ca -0.22 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1cgu n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cgu s LEU 447 N 0.00 4.39 -0.10 0.99 2.96 -1.26 -5.00 118.68 120.66 1cgu s LEU 447 Ca 0.00 1.23 -0.00 0.00 -0.22 0.00 0.00 54.13 55.14 1cgu s LEU 447 Cb 0.00 -3.04 0.02 0.00 0.50 0.00 0.00 46.19 43.67 1cgu s LEU 447 CO 0.00 0.02 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.04 1cgu s SER 448 N 0.14 2.03 0.50 3.68 1.04 -1.26 -0.97 113.70 118.86 1cgu s SER 448 Ca 0.35 -0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1cgu s SER 448 Cb -0.19 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.14 1cgu s SER 448 CO 0.19 -0.11 0.09 0.42 0.98 0.00 0.00 173.24 174.81 1cgu s THR 449 N 1.61 1.41 -0.39 2.02 -4.23 0.55 -4.94 115.64 111.68 1cgu s THR 449 Ca 0.03 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1cgu s THR 449 Cb -0.13 -2.30 0.47 0.00 1.34 0.00 0.00 72.50 71.88 1cgu s THR 449 CO -0.06 0.00 1.46 -1.54 -0.54 0.00 0.00 174.62 173.94 1cgu n SER 450 N -1.33 5.09 -4.76 3.99 3.41 -1.26 -4.23 113.62 114.54 1cgu n SER 450 Ca -0.13 -3.77 -0.40 0.00 -0.26 0.00 0.00 58.87 54.31 1cgu n SER 450 Cb 0.66 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1cgu n SER 450 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cgu s LEU 451 N -3.59 4.53 0.95 1.04 1.43 -1.26 -4.84 118.68 116.95 1cgu s LEU 451 Ca 0.53 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1cgu s LEU 451 Cb 0.43 -3.32 0.16 0.00 0.03 0.00 0.00 46.19 43.50 1cgu s LEU 451 CO 0.02 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 1cgu s PRO 452 N -0.57 0.76 0.16 1.29 0.05 -1.26 -3.28 135.00 132.16 1cgu s PRO 452 Ca 0.38 0.98 -0.32 0.00 0.05 0.00 0.00 61.00 62.09 1cgu s PRO 452 Cb -0.22 -1.74 -0.12 0.00 0.05 0.00 0.00 34.50 32.47 1cgu s PRO 452 CO 0.26 -2.62 1.73 2.41 0.05 0.00 0.00 177.00 178.83 1cgu n THR 453 N -4.17 0.13 -2.08 1.26 -1.04 -1.26 -4.58 114.28 102.54 1cgu n THR 453 Ca 0.07 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1cgu n THR 453 Cb 0.54 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1cgu n THR 453 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cgu n GLY 454 N 3.95 -1.76 3.70 3.41 0.00 -0.61 -4.93 105.19 108.95 1cgu n GLY 454 Ca 0.17 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1cgu n GLY 454 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cgu s SER 455 N -2.28 6.36 -0.18 1.61 0.01 -1.26 -0.38 113.70 117.58 1cgu s SER 455 Ca 0.00 0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.66 1cgu s SER 455 Cb 0.00 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 1cgu s SER 455 CO 0.00 0.04 -0.09 -0.31 0.41 0.00 0.00 173.24 173.30 1cgu s TYR 456 N 0.83 2.89 0.24 2.43 1.51 0.03 -4.96 117.35 120.31 1cgu s TYR 456 Ca 0.15 -0.87 -0.27 0.00 -1.01 0.00 0.00 57.07 55.07 1cgu s TYR 456 Cb -0.13 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.64 1cgu s TYR 456 CO 0.05 -0.43 0.89 0.99 -1.11 0.00 0.00 175.55 175.94 1cgu s THR 457 N 1.01 4.21 0.11 -0.71 2.01 -1.26 -1.68 115.64 119.33 1cgu s THR 457 Ca -0.01 1.87 -0.31 0.00 0.31 0.00 0.00 61.69 63.56 1cgu s THR 457 Cb -0.15 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 1cgu s THR 457 CO -0.01 0.39 1.77 -0.62 -0.69 0.00 0.00 174.62 175.46 1cgu s ASP 458 N -1.32 6.48 0.30 3.53 2.15 -1.25 -4.57 116.67 121.99 1cgu s ASP 458 Ca 0.42 2.67 0.08 0.00 0.43 0.00 0.00 52.55 56.15 1cgu s ASP 458 Cb -0.23 -2.57 0.47 0.00 -0.30 0.00 0.00 42.92 40.30 1cgu s ASP 458 CO 0.28 -0.96 1.70 0.58 -0.17 0.00 0.00 175.17 176.60 1cgu h VAL 459 N 4.69 1.32 0.00 1.11 2.07 -1.39 -1.32 116.25 122.74 1cgu h VAL 459 Ca -0.45 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1cgu h VAL 459 Cb 1.21 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1cgu h VAL 459 CO 0.94 0.46 0.00 0.18 0.02 0.00 0.00 177.57 179.17 1cgu n LEU 460 N -4.01 0.00 -1.36 2.57 4.77 -1.26 -4.89 117.00 112.83 1cgu n LEU 460 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.79 1cgu n LEU 460 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1cgu n LEU 460 CO 0.41 0.00 -0.17 0.61 -1.33 0.00 0.00 177.39 176.92 1cgu n GLY 461 N 0.78 1.69 1.05 -0.72 0.00 -0.50 -1.31 105.19 106.19 1cgu n GLY 461 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1cgu n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgu n GLY 462 N -0.25 0.75 0.31 -0.02 0.00 -1.26 -4.94 105.19 99.77 1cgu n GLY 462 Ca -0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.03 1cgu n GLY 462 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1cgu h VAL 463 N 0.00 0.17 -0.55 1.61 -1.51 -1.54 -1.73 116.25 112.71 1cgu h VAL 463 Ca 0.00 -0.23 -0.40 0.00 -1.23 0.00 0.00 66.70 64.84 1cgu h VAL 463 Cb 0.00 1.18 -0.31 0.00 -2.13 0.00 0.00 31.29 30.04 1cgu h VAL 463 CO 0.00 0.03 -0.68 0.18 -1.23 0.00 0.00 177.57 175.86 1cgu n LEU 464 N -3.28 4.39 -3.14 4.19 4.77 -1.26 -4.91 117.00 117.76 1cgu n LEU 464 Ca -0.02 -4.50 -0.22 0.00 -0.03 0.00 0.00 56.01 51.24 1cgu n LEU 464 Cb 0.16 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1cgu n LEU 464 CO 0.24 1.89 -0.04 0.59 -1.33 0.00 0.00 177.39 178.75 1cgu n ASN 465 N -0.83 -4.69 -4.77 -1.43 4.13 -0.65 -0.99 115.26 106.03 1cgu n ASN 465 Ca 0.38 -0.29 -0.38 0.00 1.68 0.00 0.00 54.58 55.96 1cgu n ASN 465 Cb 0.89 -3.85 -0.04 0.00 -1.54 0.00 0.00 39.78 35.24 1cgu n ASN 465 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1cgu s GLY 466 N -2.64 2.91 0.19 7.41 0.00 -1.21 -4.59 107.32 109.38 1cgu s GLY 466 Ca 0.32 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.84 1cgu s GLY 466 CO 0.40 1.30 0.15 1.16 0.00 0.00 0.00 173.10 176.11 1cgu n ASN 467 N 0.59 1.46 -4.46 1.64 6.94 -1.26 -4.16 115.26 116.01 1cgu n ASN 467 Ca 0.02 -1.62 -0.24 0.00 -0.02 0.00 0.00 54.58 52.72 1cgu n ASN 467 Cb 0.47 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.76 1cgu n ASN 467 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1cgu s ASN 468 N -2.10 3.48 0.40 0.53 0.01 -1.26 -3.83 114.94 112.17 1cgu s ASN 468 Ca 0.12 -1.02 0.04 0.00 -0.71 0.00 0.00 52.86 51.29 1cgu s ASN 468 Cb -0.01 -0.28 -0.02 0.00 0.41 0.00 0.00 41.25 41.34 1cgu s ASN 468 CO 0.07 0.02 0.14 0.27 -1.51 0.00 0.00 177.10 176.10 1cgu s ILE 469 N -2.51 0.56 -0.04 0.60 -4.36 -0.67 -5.00 121.20 109.77 1cgu s ILE 469 Ca 0.29 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1cgu s ILE 469 Cb -0.05 -2.36 0.03 0.00 1.25 0.00 0.00 42.46 41.34 1cgu s ILE 469 CO 0.14 0.00 0.06 -0.89 0.24 0.00 0.00 174.94 174.49 1cgu s THR 470 N -3.23 -0.11 -0.04 8.37 2.01 -1.26 -0.79 115.64 120.59 1cgu s THR 470 Ca 0.25 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 1cgu s THR 470 Cb 0.03 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.34 1cgu s THR 470 CO 0.15 0.16 0.51 -0.55 -0.69 0.00 0.00 174.62 174.21 1cgu s SER 471 N 1.99 6.83 -0.45 3.53 0.15 0.49 -3.21 113.70 123.03 1cgu s SER 471 Ca 0.03 0.99 0.03 0.00 0.70 0.00 0.00 55.95 57.70 1cgu s SER 471 Cb -0.12 -2.31 0.16 0.00 -1.71 0.00 0.00 66.02 62.03 1cgu s SER 471 CO -0.03 0.11 0.32 0.42 1.20 0.00 0.00 173.24 175.26 1cgu s THR 472 N -0.09 0.89 -0.67 6.45 -4.23 -0.11 -1.58 115.64 116.30 1cgu s THR 472 Ca 0.28 -2.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.08 1cgu s THR 472 Cb -0.17 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1cgu s THR 472 CO 0.14 -1.09 0.00 0.59 -0.54 0.00 0.00 174.62 173.71 1cgu n ASN 473 N 3.06 -2.97 0.00 3.99 4.13 -1.26 -2.42 115.26 119.79 1cgu n ASN 473 Ca 0.21 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1cgu n ASN 473 Cb 0.41 -2.07 0.00 0.00 -1.54 0.00 0.00 39.78 36.58 1cgu n ASN 473 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cgu n GLY 474 N -1.20 2.10 3.66 7.41 0.00 -1.21 -4.90 105.19 111.05 1cgu n GLY 474 Ca -0.09 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1cgu n GLY 474 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cgu s SER 475 N -0.31 6.99 0.08 1.61 0.01 -1.02 -0.33 113.70 120.74 1cgu s SER 475 Ca 0.00 1.24 -0.22 0.00 1.31 0.00 0.00 55.95 58.28 1cgu s SER 475 Cb 0.00 -2.49 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 1cgu s SER 475 CO 0.00 -0.57 0.66 -0.63 0.41 0.00 0.00 173.24 173.11 1cgu s ILE 476 N 2.90 4.67 0.27 1.44 -1.09 -0.14 -0.94 121.20 128.31 1cgu s ILE 476 Ca 0.40 1.42 -0.28 0.00 -2.23 0.00 0.00 60.65 59.96 1cgu s ILE 476 Cb -0.15 -4.00 -0.09 0.00 -1.58 0.00 0.00 42.46 36.63 1cgu s ILE 476 CO 0.08 0.49 0.93 0.20 -1.23 0.00 0.00 174.94 175.40 1cgu s ASN 477 N -0.76 7.50 0.12 3.58 0.01 -1.20 -4.30 114.94 119.90 1cgu s ASN 477 Ca 0.33 1.88 -0.32 0.00 -0.71 0.00 0.00 52.86 54.03 1cgu s ASN 477 Cb -0.20 -2.59 -0.18 0.00 0.41 0.00 0.00 41.25 38.69 1cgu s ASN 477 CO 0.21 0.08 0.71 0.59 -1.51 0.00 0.00 177.10 177.18 1cgu n ASN 478 N 1.13 -0.77 -3.50 -1.22 4.13 -1.26 -4.86 115.26 108.91 1cgu n ASN 478 Ca -0.01 1.12 -0.16 0.00 1.68 0.00 0.00 54.58 57.21 1cgu n ASN 478 Cb 0.48 -0.92 -0.05 0.00 -1.54 0.00 0.00 39.78 37.75 1cgu n ASN 478 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1cgu s PHE 479 N -0.61 -0.61 -0.25 3.10 -0.71 -0.79 -5.02 117.98 113.09 1cgu s PHE 479 Ca 0.73 0.88 -0.21 0.00 -1.04 0.00 0.00 56.93 57.28 1cgu s PHE 479 Cb -1.04 0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 41.20 1cgu s PHE 479 CO 0.55 -0.67 0.66 0.95 -1.34 0.00 0.00 175.22 175.37 1cgu s THR 480 N -1.93 4.97 -0.21 -4.49 -4.23 -1.26 0.49 115.64 108.97 1cgu s THR 480 Ca -0.08 1.20 -0.20 0.00 -1.18 0.00 0.00 61.69 61.44 1cgu s THR 480 Cb -0.00 -3.96 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 1cgu s THR 480 CO 0.03 0.02 0.59 -0.22 -0.54 0.00 0.00 174.62 174.50 1cgu s LEU 481 N 2.49 4.13 1.13 4.79 2.96 0.91 -4.92 118.68 130.16 1cgu s LEU 481 Ca 0.28 0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 54.79 1cgu s LEU 481 Cb -0.15 -2.82 0.26 0.00 0.50 0.00 0.00 46.19 43.98 1cgu s LEU 481 CO 0.08 -0.26 1.05 0.00 -1.32 0.00 0.00 176.35 175.91 1cgu s ALA 482 N 1.94 0.16 0.12 5.97 0.00 -1.26 -0.67 121.76 128.02 1cgu s ALA 482 Ca 0.26 -0.41 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 1cgu s ALA 482 Cb -0.16 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1cgu s ALA 482 CO 0.10 -3.50 1.53 0.00 0.00 0.00 0.00 175.76 173.89 1cgu s ALA 483 N -2.73 3.69 -1.52 0.00 0.00 -1.25 -2.10 121.76 117.86 1cgu s ALA 483 Ca 0.67 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1cgu s ALA 483 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1cgu s ALA 483 CO 0.60 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1cgu n GLY 484 N 3.74 1.46 3.88 0.00 0.00 0.86 -4.91 105.19 110.23 1cgu n GLY 484 Ca 0.14 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1cgu n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgu s ALA 485 N -2.48 2.66 -0.27 4.61 0.00 -0.89 -4.86 121.76 120.53 1cgu s ALA 485 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.21 1cgu s ALA 485 Cb 0.00 -3.00 0.08 0.00 0.00 0.00 0.00 23.12 20.21 1cgu s ALA 485 CO 0.00 -1.53 0.79 -0.08 0.00 0.00 0.00 175.76 174.94 1cgu s THR 486 N -3.46 0.00 0.17 0.00 -1.32 -0.16 -2.49 115.64 108.38 1cgu s THR 486 Ca 0.61 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.19 1cgu s THR 486 Cb -0.11 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 1cgu s THR 486 CO 0.51 0.00 -0.22 0.00 -2.21 0.00 0.00 174.62 172.70 1cgu s ALA 487 N 0.39 2.26 -0.09 11.08 0.00 -0.82 -3.30 121.76 131.29 1cgu s ALA 487 Ca 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1cgu s ALA 487 Cb -0.05 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.83 1cgu s ALA 487 CO -0.01 0.36 0.20 0.08 0.00 0.00 0.00 175.76 176.40 1cgu s VAL 488 N -1.69 -0.03 -0.02 0.00 1.01 -1.26 -1.01 120.40 117.39 1cgu s VAL 488 Ca 0.17 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.27 1cgu s VAL 488 Cb -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1cgu s VAL 488 CO 0.08 0.05 -0.01 0.26 0.00 0.00 0.00 175.10 175.48 1cgu s TRP 489 N 0.94 0.29 0.21 5.22 0.51 -0.32 -0.90 118.94 124.88 1cgu s TRP 489 Ca -0.07 -0.02 -0.01 0.00 -2.12 0.00 0.00 56.10 53.88 1cgu s TRP 489 Cb -0.08 -0.31 -0.04 0.00 -0.81 0.00 0.00 33.47 32.23 1cgu s TRP 489 CO -0.06 -0.08 0.13 1.14 -0.51 0.00 0.00 176.95 177.58 1cgu s GLN 490 N 0.56 1.23 -0.14 4.98 1.03 -1.26 -1.22 119.66 124.84 1cgu s GLN 490 Ca -0.06 -1.65 -0.06 0.00 0.04 0.00 0.00 55.36 53.63 1cgu s GLN 490 Cb -0.08 0.22 0.06 0.00 0.03 0.00 0.00 33.01 33.24 1cgu s GLN 490 CO -0.01 -0.39 0.32 -0.47 -2.54 0.00 0.00 175.29 172.21 1cgu s TYR 491 N -4.11 -0.51 0.09 9.60 5.04 -0.28 -4.94 117.35 122.24 1cgu s TYR 491 Ca 0.39 1.10 0.04 0.00 -2.44 0.00 0.00 57.07 56.15 1cgu s TYR 491 Cb 0.07 0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.47 1cgu s TYR 491 CO 0.12 -0.34 -0.11 0.95 -1.34 0.00 0.00 175.55 174.84 1cgu s THR 492 N 1.84 0.96 0.01 4.34 -4.23 -1.26 -0.41 115.64 116.90 1cgu s THR 492 Ca -0.05 -1.58 -0.28 0.00 -1.18 0.00 0.00 61.69 58.60 1cgu s THR 492 Cb -0.11 -1.30 0.09 0.00 1.34 0.00 0.00 72.50 72.53 1cgu s THR 492 CO -0.10 -0.50 0.81 0.28 -0.54 0.00 0.00 174.62 174.56 1cgu s THR 493 N -2.23 0.00 0.06 3.99 -1.32 -1.26 -5.03 115.64 109.84 1cgu s THR 493 Ca 0.04 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.21 1cgu s THR 493 Cb -0.04 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.84 1cgu s THR 493 CO 0.00 0.00 1.89 0.00 -2.21 0.00 0.00 174.62 174.31 1cgu n ALA 494 N -0.06 1.70 -1.71 11.08 0.00 -1.26 -4.69 120.51 125.57 1cgu n ALA 494 Ca -0.12 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 1cgu n ALA 494 Cb 0.62 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1cgu n ALA 494 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1cgu s GLU 495 N 3.58 3.47 -0.30 0.00 2.56 -1.26 -4.97 118.70 121.78 1cgu s GLU 495 Ca 0.86 1.10 0.18 0.00 0.00 0.00 0.00 54.97 57.12 1cgu s GLU 495 Cb -0.50 -2.06 0.46 0.00 2.00 0.00 0.00 34.13 34.03 1cgu s GLU 495 CO 0.42 -0.68 1.24 0.25 -0.56 0.00 0.00 175.26 175.93 1cgu n THR 496 N -2.02 0.75 -3.66 -1.70 -2.24 -1.26 -4.28 114.28 99.88 1cgu n THR 496 Ca 0.08 -2.25 -0.10 0.00 -2.27 0.00 0.00 64.05 59.52 1cgu n THR 496 Cb 0.53 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.79 1cgu n THR 496 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cgu s THR 497 N -2.22 -0.01 -0.10 4.28 2.01 -1.23 -5.07 115.64 113.31 1cgu s THR 497 Ca 0.21 0.02 -0.35 0.00 0.31 0.00 0.00 61.69 61.88 1cgu s THR 497 Cb 0.38 -0.89 -0.13 0.00 0.01 0.00 0.00 72.50 71.87 1cgu s THR 497 CO -0.06 0.01 1.81 -0.81 -0.69 0.00 0.00 174.62 174.88 1cgu n PRO 498 N 3.88 1.95 -3.62 4.92 -0.04 -0.66 -3.91 135.00 137.52 1cgu n PRO 498 Ca -0.19 0.71 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 1cgu n PRO 498 Cb 0.57 -2.51 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 1cgu n PRO 498 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1cgu s THR 499 N 3.58 -0.29 -0.43 0.52 -1.32 -0.99 -3.95 115.64 112.75 1cgu s THR 499 Ca 0.92 0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 61.33 1cgu s THR 499 Cb -0.77 -0.42 -0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1cgu s THR 499 CO 0.53 0.04 1.60 -0.63 -2.21 0.00 0.00 174.62 173.95 1cgu s ILE 500 N 2.31 3.67 -0.10 5.08 1.01 -1.26 -1.30 121.20 130.62 1cgu s ILE 500 Ca 0.04 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 1cgu s ILE 500 Cb -0.13 -4.02 -0.22 0.00 0.01 0.00 0.00 42.46 38.10 1cgu s ILE 500 CO -0.08 -0.73 0.85 1.23 0.00 0.00 0.00 174.94 176.22 1cgu h GLY 501 N 13.37 -0.03 -3.18 6.18 0.00 -0.87 -3.48 103.07 115.06 1cgu h GLY 501 Ca -0.29 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1cgu h GLY 501 CO 1.10 -0.01 -0.35 -1.58 0.00 0.00 0.00 176.54 175.70 1cgu s HIS 502 N -2.80 0.12 0.02 5.60 5.65 -0.20 -4.89 115.29 118.79 1cgu s HIS 502 Ca -0.16 -0.53 0.03 0.00 0.25 0.00 0.00 55.06 54.64 1cgu s HIS 502 Cb -0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 32.58 31.34 1cgu s HIS 502 CO 0.62 -0.55 -0.09 0.08 -0.65 0.00 0.00 174.74 174.14 1cgu s VAL 503 N -3.80 0.71 -0.16 0.89 1.01 -1.26 -1.45 120.40 116.34 1cgu s VAL 503 Ca 0.04 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1cgu s VAL 503 Cb 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.83 1cgu s VAL 503 CO -0.11 -0.01 0.60 -0.83 0.00 0.00 0.00 175.10 174.76 1cgu s GLY 504 N -0.75 -0.46 1.11 4.51 0.00 -0.44 -4.64 107.32 106.65 1cgu s GLY 504 Ca -0.01 1.48 -0.16 0.00 0.00 0.00 0.00 44.72 46.03 1cgu s GLY 504 CO 0.00 1.20 0.35 -1.55 0.00 0.00 0.00 173.10 173.10 1cgu n PRO 505 N 2.07 -1.65 -0.30 2.90 -0.04 -1.26 -0.82 135.00 135.90 1cgu n PRO 505 Ca -0.16 -0.46 0.08 0.00 -0.04 0.00 0.00 63.50 62.93 1cgu n PRO 505 Cb 0.56 -1.86 0.24 0.00 -0.04 0.00 0.00 33.50 32.40 1cgu n PRO 505 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cgu n VAL 506 N -4.48 1.12 -3.74 0.52 0.24 -1.26 -4.83 118.33 105.90 1cgu n VAL 506 Ca 0.02 -1.05 -0.12 0.00 -2.04 0.00 0.00 64.34 61.15 1cgu n VAL 506 Cb 0.59 0.44 -0.12 0.00 -1.47 0.00 0.00 33.84 33.28 1cgu n VAL 506 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1cgu s MET 507 N -1.15 0.31 -0.00 7.34 -2.45 -1.26 -0.16 119.30 121.94 1cgu s MET 507 Ca 0.36 0.52 -0.29 0.00 -1.25 0.00 0.00 55.69 55.03 1cgu s MET 507 Cb 0.20 0.04 0.11 0.00 1.25 0.00 0.00 34.83 36.44 1cgu s MET 507 CO 0.23 -0.10 1.27 0.20 1.05 0.00 0.00 175.02 177.67 1cgu s GLY 508 N 0.72 -0.31 0.43 2.11 0.00 -0.08 -4.93 107.32 105.26 1cgu s GLY 508 Ca -0.05 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.11 1cgu s GLY 508 CO -0.05 1.67 0.69 -1.59 0.00 0.00 0.00 173.10 173.83 1cgu s LYS 509 N -2.32 3.48 0.27 2.90 -2.85 -1.26 0.21 119.74 120.16 1cgu s LYS 509 Ca 0.18 -0.04 -0.24 0.00 -1.00 0.00 0.00 55.97 54.87 1cgu s LYS 509 Cb 0.03 -2.49 -0.16 0.00 -2.06 0.00 0.00 37.83 33.15 1cgu s LYS 509 CO -0.03 -0.09 0.32 -2.30 0.10 0.00 0.00 175.35 173.36 1cgu n PRO 510 N -2.08 0.00 0.00 1.78 -0.02 -1.26 -2.03 135.00 131.39 1cgu n PRO 510 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1cgu n PRO 510 Cb 0.56 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1cgu n PRO 510 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cgu n GLY 511 N 2.04 3.08 3.78 -1.23 0.00 -0.12 -4.90 105.19 107.83 1cgu n GLY 511 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1cgu n GLY 511 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cgu s ASN 512 N -0.89 5.49 -0.12 1.61 0.01 -0.86 -4.57 114.94 115.61 1cgu s ASN 512 Ca 0.00 2.06 0.00 0.00 -0.71 0.00 0.00 52.86 54.21 1cgu s ASN 512 Cb 0.00 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 1cgu s ASN 512 CO 0.00 -1.37 -0.12 0.54 -1.51 0.00 0.00 177.10 174.64 1cgu s VAL 513 N -2.09 3.16 0.45 1.60 0.11 -1.26 -1.15 120.40 121.23 1cgu s VAL 513 Ca 0.69 -0.63 0.07 0.00 -2.93 0.00 0.00 61.98 59.18 1cgu s VAL 513 Cb -0.21 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 1cgu s VAL 513 CO 0.34 0.53 0.42 0.68 -3.33 0.00 0.00 175.10 173.74 1cgu s VAL 514 N 0.16 2.43 -0.04 2.04 -7.23 -0.60 -4.79 120.40 112.37 1cgu s VAL 514 Ca -0.07 -1.34 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 1cgu s VAL 514 Cb -0.15 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 1cgu s VAL 514 CO 0.05 0.00 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.77 1cgu s THR 515 N -2.54 1.49 -0.26 5.32 2.01 0.00 -1.57 115.64 120.10 1cgu s THR 515 Ca 0.47 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1cgu s THR 515 Cb -0.03 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.26 1cgu s THR 515 CO 0.28 0.43 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.94 1cgu s ILE 516 N 0.01 1.86 0.15 1.82 1.09 0.78 -1.32 121.20 125.58 1cgu s ILE 516 Ca -0.04 -1.52 -0.03 0.00 -1.10 0.00 0.00 60.65 57.97 1cgu s ILE 516 Cb -0.12 -2.09 -0.05 0.00 -1.06 0.00 0.00 42.46 39.15 1cgu s ILE 516 CO 0.02 -0.13 0.36 -1.81 -0.10 0.00 0.00 174.94 173.28 1cgu s ASP 517 N 1.23 6.44 0.00 3.58 1.01 -0.53 -2.10 116.67 126.30 1cgu s ASP 517 Ca -0.05 0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1cgu s ASP 517 Cb -0.19 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.68 1cgu s ASP 517 CO -0.06 0.03 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1cgu n GLY 518 N -0.11 -0.87 3.42 0.21 0.00 -0.66 -0.16 105.19 107.01 1cgu n GLY 518 Ca -0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 1cgu n GLY 518 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cgu s ARG 519 N -0.30 1.56 -0.80 1.61 1.81 -0.42 -4.43 118.95 117.98 1cgu s ARG 519 Ca 0.00 -1.83 -0.03 0.00 -1.72 0.00 0.00 55.73 52.15 1cgu s ARG 519 Cb 0.00 -0.87 0.02 0.00 -0.45 0.00 0.00 34.95 33.65 1cgu s ARG 519 CO 0.00 -0.12 0.11 0.41 -0.68 0.00 0.00 175.30 175.02 1cgu n GLY 520 N -0.60 -0.49 0.04 -3.53 0.00 -1.22 -2.35 105.19 97.03 1cgu n GLY 520 Ca -0.04 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1cgu n GLY 520 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cgu n PHE 521 N -3.24 0.35 -4.47 1.61 3.72 -0.67 -1.65 117.46 113.10 1cgu n PHE 521 Ca -0.07 0.11 0.01 0.00 -0.05 0.00 0.00 57.45 57.44 1cgu n PHE 521 Cb 0.56 -0.67 -0.00 0.00 -0.94 0.00 0.00 39.48 38.42 1cgu n PHE 521 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cgu n GLY 522 N 1.24 -1.35 0.17 1.37 0.00 -1.26 -4.65 105.19 100.70 1cgu n GLY 522 Ca 0.06 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.99 1cgu n GLY 522 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cgu n SER 523 N -1.76 1.45 -4.02 1.61 3.41 -1.26 -1.72 113.62 111.33 1cgu n SER 523 Ca 0.00 -2.44 -0.31 0.00 -0.26 0.00 0.00 58.87 55.86 1cgu n SER 523 Cb 0.02 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 1cgu n SER 523 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cgu s THR 524 N -1.56 2.27 -0.40 6.66 -4.23 -1.26 -4.91 115.64 112.21 1cgu s THR 524 Ca 0.16 -2.29 -0.23 0.00 -1.18 0.00 0.00 61.69 58.15 1cgu s THR 524 Cb 0.14 -2.65 -0.12 0.00 1.34 0.00 0.00 72.50 71.21 1cgu s THR 524 CO 0.01 -0.55 1.37 1.17 -0.54 0.00 0.00 174.62 176.09 1cgu n LYS 525 N 4.27 0.00 0.00 3.99 3.00 -1.26 -4.87 118.16 123.29 1cgu n LYS 525 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1cgu n LYS 525 Cb 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.57 1cgu n LYS 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cgu n GLY 526 N 4.17 3.35 3.25 3.14 0.00 -1.26 -4.94 105.19 112.90 1cgu n GLY 526 Ca 0.35 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1cgu n GLY 526 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cgu s THR 527 N 2.40 2.05 -0.25 2.61 -1.32 -1.17 -4.50 115.64 115.47 1cgu s THR 527 Ca 0.00 -1.05 -0.17 0.00 -1.21 0.00 0.00 61.69 59.26 1cgu s THR 527 Cb 0.00 -1.75 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1cgu s THR 527 CO 0.00 0.57 0.46 -0.69 -2.21 0.00 0.00 174.62 172.75 1cgu s VAL 528 N -0.01 5.12 -0.42 5.08 1.01 0.21 -0.72 120.40 130.67 1cgu s VAL 528 Ca -0.08 0.78 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 1cgu s VAL 528 Cb -0.15 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1cgu s VAL 528 CO 0.05 0.14 0.30 -0.31 0.00 0.00 0.00 175.10 175.28 1cgu s TYR 529 N 2.05 3.25 -0.93 5.22 2.02 0.46 0.20 117.35 129.62 1cgu s TYR 529 Ca 0.19 -0.75 -0.19 0.00 -0.37 0.00 0.00 57.07 55.95 1cgu s TYR 529 Cb -0.16 -2.70 0.12 0.00 -0.40 0.00 0.00 41.96 38.83 1cgu s TYR 529 CO 0.09 -0.65 1.16 -0.06 -1.57 0.00 0.00 175.55 174.52 1cgu s PHE 530 N 1.64 3.03 0.00 2.71 0.40 -0.17 -1.83 117.98 123.77 1cgu s PHE 530 Ca 0.04 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 55.09 1cgu s PHE 530 Cb -0.20 -4.33 0.00 0.00 0.51 0.00 0.00 43.02 39.00 1cgu s PHE 530 CO 0.09 -1.55 0.00 0.41 0.70 0.00 0.00 175.22 174.87 1cgu n GLY 531 N 5.65 1.66 0.66 4.36 0.00 0.10 -1.97 105.19 115.66 1cgu n GLY 531 Ca 0.24 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1cgu n GLY 531 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cgu n THR 532 N 0.00 0.74 -4.30 2.61 5.66 -1.26 -4.81 114.28 112.93 1cgu n THR 532 Ca 0.00 -0.87 -0.34 0.00 -3.05 0.00 0.00 64.05 59.79 1cgu n THR 532 Cb 0.00 0.69 -0.15 0.00 -1.55 0.00 0.00 70.33 69.33 1cgu n THR 532 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1cgu s THR 533 N -1.01 2.83 0.16 1.09 2.01 -0.83 -5.07 115.64 114.82 1cgu s THR 533 Ca 0.23 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1cgu s THR 533 Cb 0.13 -2.23 -0.07 0.00 0.01 0.00 0.00 72.50 70.34 1cgu s THR 533 CO 0.17 0.49 1.02 0.00 -0.69 0.00 0.00 174.62 175.62 1cgu s ALA 534 N 1.03 3.32 -0.09 7.40 0.00 -1.26 -1.00 121.76 131.17 1cgu s ALA 534 Ca -0.01 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.69 1cgu s ALA 534 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1cgu s ALA 534 CO -0.03 -0.07 -0.21 0.08 0.00 0.00 0.00 175.76 175.53 1cgu s VAL 535 N -0.32 1.83 0.26 0.00 1.01 0.13 -4.96 120.40 118.35 1cgu s VAL 535 Ca 0.47 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1cgu s VAL 535 Cb -0.27 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1cgu s VAL 535 CO 0.33 0.51 0.22 0.42 0.00 0.00 0.00 175.10 176.57 1cgu s THR 536 N 0.36 0.00 0.00 3.92 -4.23 -1.26 -0.62 115.64 113.80 1cgu s THR 536 Ca -0.16 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1cgu s THR 536 Cb -0.17 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1cgu s THR 536 CO 0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1cgu n GLY 537 N -0.41 3.81 0.19 3.99 0.00 -1.26 -2.00 105.19 109.50 1cgu n GLY 537 Ca 0.04 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1cgu n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cgu h ALA 538 N -0.79 0.86 0.00 4.61 0.00 -2.00 -2.94 119.26 119.01 1cgu h ALA 538 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1cgu h ALA 538 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1cgu h ALA 538 CO 0.00 0.36 -0.17 0.00 0.00 0.00 0.00 179.25 179.44 1cgu h ALA 539 N 1.72 1.16 -2.03 0.00 0.00 -1.81 -3.36 119.26 114.94 1cgu h ALA 539 Ca -0.00 -0.16 -0.60 0.00 0.00 0.00 0.00 54.91 54.15 1cgu h ALA 539 Cb 1.09 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1cgu h ALA 539 CO 0.04 0.21 0.55 0.42 0.00 0.00 0.00 179.25 180.47 1cgu s ILE 540 N -3.96 4.58 0.10 0.00 1.01 -1.11 -2.58 121.20 119.24 1cgu s ILE 540 Ca -0.01 0.99 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 1cgu s ILE 540 Cb 0.12 -4.34 -0.22 0.00 0.01 0.00 0.00 42.46 38.03 1cgu s ILE 540 CO 0.61 -0.61 1.22 0.71 0.00 0.00 0.00 174.94 176.87 1cgu h THR 541 N 5.89 1.35 -3.70 2.92 1.35 -1.12 -3.47 112.91 116.13 1cgu h THR 541 Ca -0.24 -2.43 -0.18 0.00 -0.55 0.00 0.00 66.41 63.01 1cgu h THR 541 Cb 1.08 2.49 -0.24 0.00 -1.73 0.00 0.00 68.15 69.75 1cgu h THR 541 CO 0.98 0.73 -0.63 -0.44 -0.25 0.00 0.00 175.52 175.92 1cgu s SER 542 N -7.21 0.06 -0.08 5.36 0.01 -1.01 -4.95 113.70 105.88 1cgu s SER 542 Ca -0.08 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 1cgu s SER 542 Cb 0.08 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.49 1cgu s SER 542 CO 0.90 -0.20 0.15 0.86 0.41 0.00 0.00 173.24 175.36 1cgu s TRP 543 N -0.80 -0.15 0.07 2.43 -0.11 -1.26 -1.53 118.94 117.59 1cgu s TRP 543 Ca -0.09 0.56 -0.06 0.00 1.22 0.00 0.00 56.10 57.73 1cgu s TRP 543 Cb -0.05 -0.28 -0.01 0.00 -1.50 0.00 0.00 33.47 31.63 1cgu s TRP 543 CO 0.00 -0.26 0.12 -1.21 -4.62 0.00 0.00 176.95 170.98 1cgu s GLU 544 N 2.22 0.74 0.39 5.86 2.02 -0.89 -4.75 118.70 124.30 1cgu s GLU 544 Ca 0.03 -0.99 0.12 0.00 0.02 0.00 0.00 54.97 54.15 1cgu s GLU 544 Cb -0.12 0.29 0.94 0.00 0.10 0.00 0.00 34.13 35.34 1cgu s GLU 544 CO -0.05 -0.21 1.91 0.22 0.02 0.00 0.00 175.26 177.15 1cgu h ASP 545 N 3.00 0.51 -0.02 -0.19 3.58 -1.65 -1.73 116.42 119.92 1cgu h ASP 545 Ca -0.34 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1cgu h ASP 545 Cb 1.18 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1cgu h ASP 545 CO 0.58 0.27 -0.14 0.35 -2.88 0.00 0.00 179.24 177.42 1cgu n THR 546 N -4.51 0.00 -3.66 2.25 -2.24 -1.26 -1.68 114.28 103.19 1cgu n THR 546 Ca 0.15 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 1cgu n THR 546 Cb 0.48 1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 69.91 1cgu n THR 546 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1cgu s GLN 547 N -1.58 0.51 0.07 -0.78 0.74 -0.65 -1.66 119.66 116.31 1cgu s GLN 547 Ca 0.16 1.17 0.08 0.00 0.05 0.00 0.00 55.36 56.83 1cgu s GLN 547 Cb 0.13 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.61 1cgu s GLN 547 CO 0.28 -0.20 -0.20 0.42 -0.55 0.00 0.00 175.29 175.05 1cgu s ILE 548 N 2.27 2.69 -0.03 -2.34 1.01 -0.89 -2.09 121.20 121.82 1cgu s ILE 548 Ca -0.06 -1.36 0.04 0.00 0.00 0.00 0.00 60.65 59.27 1cgu s ILE 548 Cb -0.10 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1cgu s ILE 548 CO -0.16 0.25 -0.14 -0.54 0.00 0.00 0.00 174.94 174.34 1cgu s LYS 549 N -1.69 1.43 -0.25 2.79 1.02 -0.58 -0.16 119.74 122.30 1cgu s LYS 549 Ca 0.15 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 1cgu s LYS 549 Cb -0.10 -1.29 0.08 0.00 -0.52 0.00 0.00 37.83 36.00 1cgu s LYS 549 CO 0.06 0.21 0.62 0.54 -0.92 0.00 0.00 175.35 175.87 1cgu s VAL 550 N 0.04 -0.06 0.54 3.17 0.11 -0.61 -0.78 120.40 122.81 1cgu s VAL 550 Ca -0.02 0.02 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 1cgu s VAL 550 Cb -0.10 -0.91 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1cgu s VAL 550 CO 0.01 0.01 1.30 0.41 -3.33 0.00 0.00 175.10 173.50 1cgu n THR 551 N 4.37 3.68 -2.71 5.04 -1.04 -1.06 -1.56 114.28 121.00 1cgu n THR 551 Ca -0.20 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.88 1cgu n THR 551 Cb 0.58 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 1cgu n THR 551 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1cgu s ILE 552 N -1.30 4.61 0.76 12.58 -1.09 -0.30 -4.91 121.20 131.55 1cgu s ILE 552 Ca 0.71 1.70 -0.15 0.00 -2.23 0.00 0.00 60.65 60.68 1cgu s ILE 552 Cb -0.43 -4.33 0.06 0.00 -1.58 0.00 0.00 42.46 36.17 1cgu s ILE 552 CO 0.50 -0.36 1.23 -2.16 -1.23 0.00 0.00 174.94 172.92 1cgu s PRO 553 N 3.40 1.90 -1.36 2.79 0.04 -1.26 -0.95 135.00 139.57 1cgu s PRO 553 Ca 0.42 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.15 1cgu s PRO 553 Cb -0.13 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.68 1cgu s PRO 553 CO 0.12 -2.04 1.93 0.43 0.04 0.00 0.00 177.00 177.49 1cgu n SER 554 N -2.90 4.53 -4.97 6.66 7.64 -1.26 -4.36 113.62 118.95 1cgu n SER 554 Ca 0.14 -2.90 -0.18 0.00 1.01 0.00 0.00 58.87 56.94 1cgu n SER 554 Cb 0.50 -1.69 -0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1cgu n SER 554 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1cgu s VAL 555 N 3.53 3.02 0.67 0.44 -7.23 -1.26 -5.09 120.40 114.48 1cgu s VAL 555 Ca 0.50 -1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 59.42 1cgu s VAL 555 Cb 0.08 -3.03 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 1cgu s VAL 555 CO 0.00 -0.02 1.06 0.00 -0.31 0.00 0.00 175.10 175.84 1cgu n ALA 556 N -1.75 0.25 -1.85 1.32 0.00 -1.26 -4.94 120.51 112.28 1cgu n ALA 556 Ca 0.06 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 1cgu n ALA 556 Cb 0.60 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 17.89 1cgu n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cgu s ALA 557 N -1.63 3.02 0.00 0.00 0.00 -1.26 -4.90 121.76 116.99 1cgu s ALA 557 Ca 0.77 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1cgu s ALA 557 Cb -0.37 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1cgu s ALA 557 CO 0.46 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1cgu n GLY 558 N -2.76 -0.46 3.68 0.00 0.00 0.77 -4.83 105.19 101.58 1cgu n GLY 558 Ca 0.06 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1cgu n GLY 558 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cgu s ASN 559 N -4.00 6.09 0.11 1.61 2.47 -1.26 -0.89 114.94 119.08 1cgu s ASN 559 Ca 0.00 0.14 0.08 0.00 0.42 0.00 0.00 52.86 53.50 1cgu s ASN 559 Cb 0.00 -2.09 -0.03 0.00 -1.45 0.00 0.00 41.25 37.68 1cgu s ASN 559 CO 0.00 0.11 -0.19 -0.31 -3.72 0.00 0.00 177.10 172.98 1cgu s TYR 560 N 0.80 1.70 -0.06 0.43 2.02 -0.35 -4.92 117.35 116.97 1cgu s TYR 560 Ca 0.07 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1cgu s TYR 560 Cb -0.13 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1cgu s TYR 560 CO 0.02 0.19 0.10 0.00 -1.57 0.00 0.00 175.55 174.30 1cgu s ALA 561 N -1.31 3.69 -0.23 3.71 0.00 -1.26 -1.17 121.76 125.19 1cgu s ALA 561 Ca 0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 1cgu s ALA 561 Cb -0.09 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1cgu s ALA 561 CO 0.04 0.65 0.02 0.08 0.00 0.00 0.00 175.76 176.56 1cgu s VAL 562 N -1.09 3.98 0.19 0.00 1.01 0.13 0.03 120.40 124.65 1cgu s VAL 562 Ca 0.19 -0.29 0.11 0.00 0.00 0.00 0.00 61.98 61.99 1cgu s VAL 562 Cb -0.12 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1cgu s VAL 562 CO 0.09 0.39 -0.24 -0.54 0.00 0.00 0.00 175.10 174.79 1cgu s LYS 563 N 1.39 1.52 0.04 2.72 1.02 -0.76 -1.32 119.74 124.34 1cgu s LYS 563 Ca 0.05 -1.50 0.03 0.00 0.02 0.00 0.00 55.97 54.57 1cgu s LYS 563 Cb -0.15 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1cgu s LYS 563 CO 0.01 0.41 0.01 0.08 -0.92 0.00 0.00 175.35 174.94 1cgu s VAL 564 N -1.61 4.13 -0.14 3.17 1.01 -1.26 -0.41 120.40 125.29 1cgu s VAL 564 Ca 0.20 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1cgu s VAL 564 Cb -0.08 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1cgu s VAL 564 CO 0.10 0.27 -0.13 0.00 0.00 0.00 0.00 175.10 175.34 1cgu s ALA 565 N -1.19 1.75 -0.08 5.51 0.00 0.10 -0.11 121.76 127.73 1cgu s ALA 565 Ca 0.22 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1cgu s ALA 565 Cb -0.12 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1cgu s ALA 565 CO 0.14 -0.41 -0.24 0.00 0.00 0.00 0.00 175.76 175.25 1cgu s ALA 566 N 1.53 2.12 -1.31 0.00 0.00 0.47 -3.02 121.76 121.56 1cgu s ALA 566 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1cgu s ALA 566 Cb -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1cgu s ALA 566 CO -0.10 0.33 0.00 0.43 0.00 0.00 0.00 175.76 176.42 1cgu n SER 567 N 3.32 -4.60 0.00 0.00 7.64 -1.26 -1.34 113.62 117.38 1cgu n SER 567 Ca -0.19 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1cgu n SER 567 Cb 0.53 -3.88 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 1cgu n SER 567 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cgu n GLY 568 N -0.88 2.66 3.76 0.23 0.00 -1.26 -5.02 105.19 104.69 1cgu n GLY 568 Ca -0.18 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1cgu n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cgu s VAL 569 N -0.66 3.44 -0.02 1.61 -7.23 -0.45 -4.97 120.40 112.12 1cgu s VAL 569 Ca 0.00 1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 61.46 1cgu s VAL 569 Cb 0.00 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 1cgu s VAL 569 CO 0.00 0.28 0.28 0.20 -0.31 0.00 0.00 175.10 175.55 1cgu s ASN 570 N -0.97 6.56 1.10 4.85 0.02 -1.26 -0.39 114.94 124.85 1cgu s ASN 570 Ca 0.48 0.66 -0.17 0.00 -1.02 0.00 0.00 52.86 52.80 1cgu s ASN 570 Cb -0.31 -2.13 0.25 0.00 0.02 0.00 0.00 41.25 39.07 1cgu s ASN 570 CO 0.40 0.30 1.16 -1.54 0.02 0.00 0.00 177.10 177.44 1cgu n SER 571 N 1.47 -0.83 -4.61 -1.22 3.41 0.84 -4.86 113.62 107.82 1cgu n SER 571 Ca -0.14 -1.31 -0.29 0.00 -0.26 0.00 0.00 58.87 56.87 1cgu n SER 571 Cb 0.53 -0.96 0.20 0.00 -0.26 0.00 0.00 64.21 63.73 1cgu n SER 571 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cgu s ASN 572 N -5.03 2.00 -0.23 4.04 4.22 -1.26 -4.70 114.94 113.99 1cgu s ASN 572 Ca 0.69 1.33 -0.08 0.00 -2.14 0.00 0.00 52.86 52.67 1cgu s ASN 572 Cb -0.04 -2.04 -0.04 0.00 1.28 0.00 0.00 41.25 40.41 1cgu s ASN 572 CO 0.51 -3.54 0.08 0.00 -2.04 0.00 0.00 177.10 172.11 1cgu s ALA 573 N -2.77 3.28 -0.15 3.54 0.00 -1.26 -4.43 121.76 119.97 1cgu s ALA 573 Ca 0.66 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1cgu s ALA 573 Cb -0.21 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1cgu s ALA 573 CO 0.60 -0.24 0.30 -0.47 0.00 0.00 0.00 175.76 175.95 1cgu s TYR 574 N 1.16 3.48 0.61 0.00 6.14 -0.43 -4.90 117.35 123.40 1cgu s TYR 574 Ca 0.05 0.62 0.08 0.00 0.64 0.00 0.00 57.07 58.46 1cgu s TYR 574 Cb -0.14 -2.33 0.10 0.00 0.42 0.00 0.00 41.96 40.01 1cgu s TYR 574 CO 0.04 0.27 0.84 -0.80 0.64 0.00 0.00 175.55 176.54 1cgu s ASN 575 N 0.36 4.94 -1.32 4.32 -0.87 -1.26 0.21 114.94 121.31 1cgu s ASN 575 Ca 0.17 -0.83 -0.16 0.00 -1.57 0.00 0.00 52.86 50.47 1cgu s ASN 575 Cb -0.13 0.35 0.01 0.00 -0.02 0.00 0.00 41.25 41.46 1cgu s ASN 575 CO 0.04 -1.47 0.50 0.59 -2.57 0.00 0.00 177.10 174.19 1cgu n ASN 576 N -2.36 -2.40 -4.84 -1.22 4.13 -0.92 -4.87 115.26 102.77 1cgu n ASN 576 Ca 0.16 -1.17 -0.35 0.00 1.68 0.00 0.00 54.58 54.90 1cgu n ASN 576 Cb 0.62 -2.35 -0.06 0.00 -1.54 0.00 0.00 39.78 36.44 1cgu n ASN 576 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1cgu s PHE 577 N -3.80 3.62 -0.28 3.10 2.19 -0.31 -4.88 117.98 117.62 1cgu s PHE 577 Ca 0.27 1.06 0.01 0.00 0.33 0.00 0.00 56.93 58.60 1cgu s PHE 577 Cb -0.13 -2.36 0.06 0.00 -1.31 0.00 0.00 43.02 39.28 1cgu s PHE 577 CO 0.93 0.44 -0.07 0.99 1.83 0.00 0.00 175.22 179.35 1cgu s THR 578 N -1.44 2.48 -0.13 0.12 2.01 0.78 -1.21 115.64 118.25 1cgu s THR 578 Ca 0.37 -1.55 -0.23 0.00 0.31 0.00 0.00 61.69 60.59 1cgu s THR 578 Cb -0.15 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1cgu s THR 578 CO 0.19 -0.06 0.71 -0.63 -0.69 0.00 0.00 174.62 174.14 1cgu s ILE 579 N 1.16 4.99 0.15 1.82 1.01 -0.06 -0.91 121.20 129.36 1cgu s ILE 579 Ca -0.07 1.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.85 1cgu s ILE 579 Cb -0.20 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 1cgu s ILE 579 CO -0.04 0.15 0.55 -0.76 0.00 0.00 0.00 174.94 174.84 1cgu s LEU 580 N 1.50 4.33 0.19 2.97 1.43 0.13 -0.17 118.68 129.07 1cgu s LEU 580 Ca 0.35 1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 54.33 1cgu s LEU 580 Cb -0.17 -3.28 0.14 0.00 0.03 0.00 0.00 46.19 42.91 1cgu s LEU 580 CO 0.14 0.10 1.59 0.74 0.23 0.00 0.00 176.35 179.15 1cgu h THR 581 N 2.77 0.18 0.00 5.49 2.02 -1.93 -3.38 112.91 118.06 1cgu h THR 581 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1cgu h THR 581 Cb 1.19 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1cgu h THR 581 CO 0.66 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.16 1cgu n GLY 582 N -1.44 2.76 3.75 2.16 0.00 -1.26 -4.70 105.19 106.46 1cgu n GLY 582 Ca 0.05 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1cgu n GLY 582 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cgu s ASP 583 N 2.00 5.26 0.20 1.61 1.01 -1.26 -4.70 116.67 120.79 1cgu s ASP 583 Ca 0.00 2.45 0.11 0.00 0.71 0.00 0.00 52.55 55.82 1cgu s ASP 583 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 1cgu s ASP 583 CO 0.00 -1.55 -0.17 -1.10 0.21 0.00 0.00 175.17 172.55 1cgu s GLN 584 N -3.21 1.76 -0.00 8.23 -1.52 -1.26 -0.59 119.66 123.07 1cgu s GLN 584 Ca 0.76 -1.46 0.01 0.00 -1.95 0.00 0.00 55.36 52.72 1cgu s GLN 584 Cb -0.32 -1.96 -0.00 0.00 -0.22 0.00 0.00 33.01 30.51 1cgu s GLN 584 CO 0.36 0.40 -0.04 0.14 -0.25 0.00 0.00 175.29 175.90 1cgu s VAL 585 N -1.81 0.29 -0.24 1.09 -7.23 0.83 -4.64 120.40 108.70 1cgu s VAL 585 Ca 0.24 -0.14 -0.25 0.00 -1.81 0.00 0.00 61.98 60.02 1cgu s VAL 585 Cb -0.08 -0.26 -0.01 0.00 0.56 0.00 0.00 36.38 36.60 1cgu s VAL 585 CO 0.13 0.09 0.83 -0.89 -0.31 0.00 0.00 175.10 174.95 1cgu s THR 586 N -0.02 4.84 -0.15 5.32 2.01 -0.70 -2.19 115.64 124.75 1cgu s THR 586 Ca 0.01 1.58 -0.02 0.00 0.31 0.00 0.00 61.69 63.56 1cgu s THR 586 Cb -0.02 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 1cgu s THR 586 CO -0.00 -0.07 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.09 1cgu s VAL 587 N 2.80 3.43 -0.36 3.82 1.01 -0.55 -2.37 120.40 128.17 1cgu s VAL 587 Ca 0.35 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1cgu s VAL 587 Cb -0.15 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1cgu s VAL 587 CO 0.08 0.50 0.91 -0.60 0.00 0.00 0.00 175.10 175.99 1cgu s ARG 588 N 0.45 3.85 -0.19 2.72 3.52 -0.08 -0.70 118.95 128.53 1cgu s ARG 588 Ca -0.07 0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 55.98 1cgu s ARG 588 Cb -0.15 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.40 1cgu s ARG 588 CO 0.04 -0.92 0.26 -0.06 -0.81 0.00 0.00 175.30 173.81 1cgu s PHE 589 N 3.42 3.42 -0.15 5.12 0.40 0.07 -1.64 117.98 128.62 1cgu s PHE 589 Ca 0.37 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 1cgu s PHE 589 Cb -0.12 -2.33 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1cgu s PHE 589 CO 0.18 0.18 -0.18 0.08 0.70 0.00 0.00 175.22 176.19 1cgu s VAL 590 N 0.67 1.78 -0.11 -0.44 1.01 -0.32 -1.01 120.40 121.98 1cgu s VAL 590 Ca 0.14 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1cgu s VAL 590 Cb -0.13 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1cgu s VAL 590 CO 0.03 0.50 -0.20 0.54 0.00 0.00 0.00 175.10 175.97 1cgu s VAL 591 N 1.18 1.84 0.20 2.92 0.11 0.10 -0.48 120.40 126.27 1cgu s VAL 591 Ca -0.00 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 1cgu s VAL 591 Cb -0.14 -1.62 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 1cgu s VAL 591 CO -0.07 0.51 0.34 0.20 -3.33 0.00 0.00 175.10 172.74 1cgu s ASN 592 N 0.68 6.33 -1.14 3.54 0.01 0.20 0.22 114.94 124.79 1cgu s ASN 592 Ca -0.12 0.16 -0.06 0.00 -0.71 0.00 0.00 52.86 52.13 1cgu s ASN 592 Cb -0.16 -1.90 0.01 0.00 0.41 0.00 0.00 41.25 39.60 1cgu s ASN 592 CO 0.02 -0.02 0.99 0.59 -1.51 0.00 0.00 177.10 177.17 1cgu n ASN 593 N -0.97 -5.09 -3.70 -1.22 3.02 -0.74 -0.56 115.26 106.00 1cgu n ASN 593 Ca -0.07 -0.47 -0.32 0.00 -0.03 0.00 0.00 54.58 53.69 1cgu n ASN 593 Cb 0.55 -4.39 -0.07 0.00 -0.61 0.00 0.00 39.78 35.27 1cgu n ASN 593 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cgu n ALA 594 N -4.47 4.17 -1.77 5.41 0.00 0.13 -4.70 120.51 119.27 1cgu n ALA 594 Ca -0.04 -4.73 -0.40 0.00 0.00 0.00 0.00 53.44 48.28 1cgu n ALA 594 Cb 0.57 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1cgu n ALA 594 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1cgu s SER 595 N -1.86 6.19 0.00 0.00 0.01 -1.26 -4.81 113.70 111.97 1cgu s SER 595 Ca 0.34 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.40 1cgu s SER 595 Cb 0.07 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1cgu s SER 595 CO -0.03 -0.95 0.00 0.35 0.41 0.00 0.00 173.24 173.02 1cgu n THR 596 N 0.09 0.00 -4.47 1.44 -2.24 -1.26 -5.11 114.28 102.73 1cgu n THR 596 Ca 0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.53 1cgu n THR 596 Cb 0.42 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.57 1cgu n THR 596 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cgu s THR 597 N -0.29 1.80 0.12 4.28 2.01 -1.26 -4.98 115.64 117.32 1cgu s THR 597 Ca 0.00 -1.88 -0.31 0.00 0.31 0.00 0.00 61.69 59.81 1cgu s THR 597 Cb 0.00 -2.68 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 1cgu s THR 597 CO 0.00 0.00 1.84 -0.22 -0.69 0.00 0.00 174.62 175.55 1cgu s LEU 598 N -3.86 4.40 -1.10 4.42 2.96 -1.26 -1.27 118.68 122.98 1cgu s LEU 598 Ca 0.28 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.94 1cgu s LEU 598 Cb 0.05 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1cgu s LEU 598 CO 0.15 -1.01 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 1cgu n GLY 599 N 4.25 0.42 3.59 7.98 0.00 -1.26 -4.99 105.19 115.18 1cgu n GLY 599 Ca 0.18 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1cgu n GLY 599 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cgu s GLN 600 N -3.98 3.69 0.45 1.61 0.74 -0.40 -4.75 119.66 117.03 1cgu s GLN 600 Ca 0.00 -0.42 0.06 0.00 0.05 0.00 0.00 55.36 55.04 1cgu s GLN 600 Cb 0.00 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 1cgu s GLN 600 CO 0.00 0.34 0.10 -0.80 -0.55 0.00 0.00 175.29 174.38 1cgu s ASN 601 N 0.14 4.18 -0.17 6.67 0.02 -0.01 -4.51 114.94 121.26 1cgu s ASN 601 Ca 0.02 -1.34 0.00 0.00 -1.02 0.00 0.00 52.86 50.53 1cgu s ASN 601 Cb -0.13 -0.12 0.03 0.00 0.02 0.00 0.00 41.25 41.05 1cgu s ASN 601 CO 0.02 -0.64 -0.11 -0.22 0.02 0.00 0.00 177.10 176.17 1cgu s LEU 602 N -3.87 1.93 0.34 0.60 2.96 -1.26 -0.60 118.68 118.77 1cgu s LEU 602 Ca 0.30 -0.68 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 1cgu s LEU 602 Cb 0.05 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.53 1cgu s LEU 602 CO 0.16 -0.11 0.09 -0.31 -1.32 0.00 0.00 176.35 174.86 1cgu s TYR 603 N 1.47 2.66 0.13 5.38 1.51 -0.17 -0.93 117.35 127.40 1cgu s TYR 603 Ca 0.02 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.78 1cgu s TYR 603 Cb -0.15 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1cgu s TYR 603 CO -0.09 0.39 -0.23 -0.48 -1.11 0.00 0.00 175.55 174.04 1cgu s LEU 604 N -3.80 2.34 0.28 -1.29 2.34 0.29 -2.38 118.68 116.46 1cgu s LEU 604 Ca 0.36 -0.75 -0.02 0.00 0.06 0.00 0.00 54.13 53.79 1cgu s LEU 604 Cb -0.02 -1.01 -0.02 0.00 -0.56 0.00 0.00 46.19 44.58 1cgu s LEU 604 CO 0.21 0.09 0.32 0.28 -1.06 0.00 0.00 176.35 176.19 1cgu s THR 605 N -1.30 0.00 0.00 5.48 -1.32 -1.00 -0.90 115.64 116.59 1cgu s THR 605 Ca 0.11 -1.79 0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1cgu s THR 605 Cb -0.09 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 1cgu s THR 605 CO 0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1cgu n GLY 606 N -0.45 -0.64 0.00 6.08 0.00 -1.20 -0.93 105.19 108.05 1cgu n GLY 606 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1cgu n GLY 606 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cgu n ASN 607 N 0.00 0.00 -4.40 1.61 6.94 0.15 -1.28 115.26 118.28 1cgu n ASN 607 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 1cgu n ASN 607 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1cgu n ASN 607 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1cgu s VAL 608 N -1.76 2.07 0.36 3.53 -7.23 -1.26 -4.90 120.40 111.21 1cgu s VAL 608 Ca 0.00 -2.27 0.05 0.00 -1.81 0.00 0.00 61.98 57.95 1cgu s VAL 608 Cb 0.00 -2.14 0.21 0.00 0.56 0.00 0.00 36.38 35.01 1cgu s VAL 608 CO 0.00 -0.48 1.96 0.00 -0.31 0.00 0.00 175.10 176.27 1cgu h ALA 609 N 2.51 1.50 -0.80 1.32 0.00 -1.88 0.11 119.26 122.02 1cgu h ALA 609 Ca -0.39 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.48 1cgu h ALA 609 Cb 1.24 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1cgu h ALA 609 CO 0.60 0.39 0.52 0.93 0.00 0.00 0.00 179.25 181.69 1cgu h GLU 610 N 0.60 0.76 -0.34 0.00 3.07 -1.94 -0.56 114.58 116.18 1cgu h GLU 610 Ca 0.15 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1cgu h GLU 610 Cb 0.13 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1cgu h GLU 610 CO -0.01 0.50 0.00 1.28 -1.40 0.00 0.00 179.01 179.38 1cgu n LEU 611 N -4.50 1.24 0.00 1.33 4.77 -0.68 -4.88 117.00 114.28 1cgu n LEU 611 Ca 0.13 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1cgu n LEU 611 Cb 0.29 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1cgu n LEU 611 CO 0.32 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1cgu n GLY 612 N 0.66 1.99 3.19 -0.72 0.00 -0.22 -3.27 105.19 106.82 1cgu n GLY 612 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1cgu n GLY 612 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cgu n ASN 613 N 0.00 -7.04 -4.25 1.61 3.02 0.29 -3.68 115.26 105.22 1cgu n ASN 613 Ca 0.00 -0.08 -0.31 0.00 -0.03 0.00 0.00 54.58 54.16 1cgu n ASN 613 Cb 0.00 -4.24 -0.09 0.00 -0.61 0.00 0.00 39.78 34.84 1cgu n ASN 613 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1cgu n TRP 614 N -1.33 -1.18 -3.91 3.10 7.02 -0.40 -4.93 117.44 115.81 1cgu n TRP 614 Ca -0.04 0.59 -0.28 0.00 -1.02 0.00 0.00 57.50 56.75 1cgu n TRP 614 Cb 0.55 -2.52 -0.03 0.00 -2.42 0.00 0.00 31.31 26.88 1cgu n TRP 614 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1cgu s SER 615 N -4.14 6.36 -0.03 -0.99 0.15 -1.24 -4.94 113.70 108.87 1cgu s SER 615 Ca 0.12 0.24 0.04 0.00 0.70 0.00 0.00 55.95 57.04 1cgu s SER 615 Cb -0.07 -1.94 0.06 0.00 -1.71 0.00 0.00 66.02 62.36 1cgu s SER 615 CO 0.95 0.09 0.98 0.35 1.20 0.00 0.00 173.24 176.82 1cgu n THR 616 N -0.20 1.06 -0.30 6.45 -2.24 -1.26 -4.40 114.28 113.40 1cgu n THR 616 Ca -0.06 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1cgu n THR 616 Cb 0.53 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1cgu n THR 616 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cgu n GLY 617 N -0.63 0.98 0.00 3.38 0.00 -1.26 -4.84 105.19 102.82 1cgu n GLY 617 Ca 0.03 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.55 1cgu n GLY 617 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cgu n SER 618 N 0.00 0.00 0.01 1.61 7.64 -1.26 -2.30 113.62 119.32 1cgu n SER 618 Ca 0.00 -0.43 0.11 0.00 1.01 0.00 0.00 58.87 59.56 1cgu n SER 618 Cb 0.00 -0.12 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 1cgu n SER 618 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1cgu n THR 619 N -1.12 0.06 -2.18 0.44 -2.24 -1.26 -4.91 114.28 103.07 1cgu n THR 619 Ca 0.15 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1cgu n THR 619 Cb 0.12 0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1cgu n THR 619 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cgu s ALA 620 N -3.32 3.54 0.10 6.98 0.00 -0.97 -3.42 121.76 124.66 1cgu s ALA 620 Ca -0.01 1.16 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 1cgu s ALA 620 Cb 0.14 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1cgu s ALA 620 CO 0.87 -0.57 0.76 0.42 0.00 0.00 0.00 175.76 177.24 1cgu s ILE 621 N -0.08 4.58 0.00 0.00 1.01 -0.08 -4.88 121.20 121.75 1cgu s ILE 621 Ca 0.56 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.85 1cgu s ILE 621 Cb -0.38 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1cgu s ILE 621 CO 0.41 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.40 1cgu n GLY 622 N 2.03 3.12 3.83 6.18 0.00 -1.26 0.11 105.19 119.20 1cgu n GLY 622 Ca -0.04 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1cgu n GLY 622 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cgu s PRO 623 N -2.21 4.13 0.73 1.61 0.04 -1.26 -5.00 135.00 133.04 1cgu s PRO 623 Ca 0.00 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 1cgu s PRO 623 Cb 0.00 -2.55 0.03 0.00 0.04 0.00 0.00 34.50 32.02 1cgu s PRO 623 CO 0.00 0.21 1.08 0.00 0.04 0.00 0.00 177.00 178.33 1cgu s ALA 624 N -1.85 2.42 0.83 8.56 0.00 -0.11 -4.99 121.76 126.62 1cgu s ALA 624 Ca 0.52 0.25 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1cgu s ALA 624 Cb -0.12 -3.25 0.13 0.00 0.00 0.00 0.00 23.12 19.88 1cgu s ALA 624 CO 0.18 -1.52 1.16 -0.06 0.00 0.00 0.00 175.76 175.53 1cgu s PHE 625 N -2.86 2.11 0.00 0.00 0.08 0.75 -4.81 117.98 113.25 1cgu s PHE 625 Ca 0.61 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.94 1cgu s PHE 625 Cb -0.17 -3.58 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1cgu s PHE 625 CO 0.53 -2.03 0.00 0.27 -0.10 0.00 0.00 175.22 173.89 1cgu n ASN 626 N -3.31 -0.00 -0.02 1.36 6.94 -1.26 -1.65 115.26 117.33 1cgu n ASN 626 Ca 0.12 -0.01 -0.04 0.00 -0.02 0.00 0.00 54.58 54.64 1cgu n ASN 626 Cb 0.60 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.01 1cgu n ASN 626 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1cgu n GLN 627 N 0.00 0.09 0.00 -3.83 6.02 -0.99 -1.03 117.38 117.64 1cgu n GLN 627 Ca -0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1cgu n GLN 627 Cb 0.07 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1cgu n GLN 627 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1cgu n VAL 628 N -2.99 0.00 -0.09 5.09 0.31 -1.26 -4.53 118.33 114.87 1cgu n VAL 628 Ca -0.08 0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 1cgu n VAL 628 Cb 0.56 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 1cgu n VAL 628 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1cgu h ILE 629 N 0.00 1.25 -3.34 2.52 1.08 -1.95 -3.42 117.51 113.64 1cgu h ILE 629 Ca 0.00 -0.87 -0.48 0.00 -0.39 0.00 0.00 64.86 63.13 1cgu h ILE 629 Cb 0.00 1.31 -0.17 0.00 -3.07 0.00 0.00 36.82 34.89 1cgu h ILE 629 CO 0.00 0.27 -0.77 -1.00 -0.69 0.00 0.00 178.15 175.97 1cgu s HIS 630 N -5.05 1.66 0.06 1.37 3.76 -1.26 -5.15 115.29 110.68 1cgu s HIS 630 Ca -0.14 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.29 1cgu s HIS 630 Cb 0.08 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 1cgu s HIS 630 CO 0.75 0.27 -0.10 1.14 -0.85 0.00 0.00 174.74 175.94 1cgu s GLN 631 N -2.88 0.65 -0.11 1.40 0.00 -1.26 -2.33 119.66 115.13 1cgu s GLN 631 Ca 0.14 -0.86 -0.40 0.00 -0.00 0.00 0.00 55.36 54.25 1cgu s GLN 631 Cb -0.05 -0.48 -0.19 0.00 0.00 0.00 0.00 33.01 32.29 1cgu s GLN 631 CO 0.05 0.09 1.14 0.98 0.00 0.00 0.00 175.29 177.55 1cgu n TYR 632 N 1.31 0.86 -1.26 9.60 9.36 -0.20 -1.14 117.16 135.69 1cgu n TYR 632 Ca -0.22 1.03 -0.24 0.00 3.32 0.00 0.00 57.90 61.79 1cgu n TYR 632 Cb 0.55 -2.02 0.17 0.00 -0.63 0.00 0.00 39.34 37.41 1cgu n TYR 632 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1cgu n PRO 633 N 1.99 2.29 -3.33 2.98 -0.04 -1.26 -5.09 135.00 132.53 1cgu n PRO 633 Ca 0.21 -3.06 -0.32 0.00 -0.04 0.00 0.00 63.50 60.29 1cgu n PRO 633 Cb 0.04 -2.17 -0.05 0.00 -0.04 0.00 0.00 33.50 31.28 1cgu n PRO 633 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1cgu s THR 634 N -3.49 4.88 0.02 0.52 2.01 -0.29 -0.70 115.64 118.59 1cgu s THR 634 Ca 0.57 0.55 0.01 0.00 0.31 0.00 0.00 61.69 63.13 1cgu s THR 634 Cb 0.48 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 1cgu s THR 634 CO 0.09 -0.13 -0.05 0.26 -0.69 0.00 0.00 174.62 174.10 1cgu s TRP 635 N -1.89 0.39 0.11 4.92 0.52 0.13 -4.21 118.94 118.91 1cgu s TRP 635 Ca 0.49 -0.36 -0.08 0.00 0.02 0.00 0.00 56.10 56.16 1cgu s TRP 635 Cb -0.11 -0.25 -0.01 0.00 -1.15 0.00 0.00 33.47 31.96 1cgu s TRP 635 CO 0.21 -0.09 0.20 1.52 0.02 0.00 0.00 176.95 178.81 1cgu s TYR 636 N -0.98 0.24 -0.14 -1.98 1.13 -0.66 0.01 117.35 114.98 1cgu s TYR 636 Ca -0.08 -0.66 -0.29 0.00 -1.41 0.00 0.00 57.07 54.62 1cgu s TYR 636 Cb -0.07 -0.08 0.10 0.00 -1.10 0.00 0.00 41.96 40.81 1cgu s TYR 636 CO -0.00 -0.58 0.84 -0.47 -2.51 0.00 0.00 175.55 172.82 1cgu s TYR 637 N -3.89 -0.55 -0.41 -3.49 5.04 -0.18 -0.18 117.35 113.70 1cgu s TYR 637 Ca 0.09 1.03 -0.17 0.00 -2.44 0.00 0.00 57.07 55.57 1cgu s TYR 637 Cb 0.05 0.41 0.02 0.00 0.35 0.00 0.00 41.96 42.78 1cgu s TYR 637 CO -0.08 -0.45 0.43 -0.51 -1.34 0.00 0.00 175.55 173.60 1cgu s ASP 638 N -0.86 6.19 0.11 4.32 1.01 -1.26 -0.75 116.67 125.43 1cgu s ASP 638 Ca -0.05 -0.60 0.06 0.00 0.71 0.00 0.00 52.55 52.67 1cgu s ASP 638 Cb -0.01 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1cgu s ASP 638 CO 0.04 -0.55 -0.06 -0.69 0.21 0.00 0.00 175.17 174.13 1cgu s VAL 639 N 2.12 3.60 -0.61 -1.27 1.01 0.12 -3.80 120.40 121.58 1cgu s VAL 639 Ca 0.12 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1cgu s VAL 639 Cb -0.17 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1cgu s VAL 639 CO 0.13 0.09 1.28 -0.55 0.00 0.00 0.00 175.10 176.06 1cgu s SER 640 N -2.31 6.28 0.18 3.32 0.15 -1.26 -1.48 113.70 118.58 1cgu s SER 640 Ca 0.23 0.04 0.10 0.00 0.70 0.00 0.00 55.95 57.03 1cgu s SER 640 Cb -0.11 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1cgu s SER 640 CO 0.16 -1.63 -0.22 0.54 1.20 0.00 0.00 173.24 173.28 1cgu s VAL 641 N 5.48 2.17 0.12 4.45 0.11 -0.93 -4.83 120.40 126.97 1cgu s VAL 641 Ca 0.44 -1.96 -0.31 0.00 -2.93 0.00 0.00 61.98 57.22 1cgu s VAL 641 Cb -0.09 -2.01 -0.09 0.00 -1.53 0.00 0.00 36.38 32.66 1cgu s VAL 641 CO 0.23 -0.16 1.60 -2.16 -3.33 0.00 0.00 175.10 171.28 1cgu s PRO 642 N -2.64 4.21 -0.03 1.54 0.04 -1.26 -0.12 135.00 136.75 1cgu s PRO 642 Ca 0.18 2.34 -0.40 0.00 0.04 0.00 0.00 61.00 63.17 1cgu s PRO 642 Cb -0.08 -3.34 -0.19 0.00 0.04 0.00 0.00 34.50 30.93 1cgu s PRO 642 CO 0.08 -0.66 1.21 0.00 0.04 0.00 0.00 177.00 177.68 1cgu n ALA 643 N 4.66 -2.60 -3.87 8.56 0.00 0.25 -3.61 120.51 123.88 1cgu n ALA 643 Ca 0.15 0.56 -0.28 0.00 0.00 0.00 0.00 53.44 53.87 1cgu n ALA 643 Cb 0.39 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1cgu n ALA 643 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cgu n GLY 644 N 2.08 -0.46 3.21 0.00 0.00 0.11 -4.86 105.19 105.28 1cgu n GLY 644 Ca 0.21 0.24 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 1cgu n GLY 644 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cgu s LYS 645 N -6.41 0.94 -0.01 1.61 2.36 -1.24 -4.84 119.74 112.17 1cgu s LYS 645 Ca 0.15 -1.15 -0.21 0.00 -2.55 0.00 0.00 55.97 52.22 1cgu s LYS 645 Cb -0.06 -0.84 -0.05 0.00 -1.05 0.00 0.00 37.83 35.83 1cgu s LYS 645 CO 0.88 0.17 0.60 -1.14 1.55 0.00 0.00 175.35 177.41 1cgu s GLN 646 N -2.41 4.32 0.21 4.03 0.74 -1.26 -0.50 119.66 124.80 1cgu s GLN 646 Ca 0.05 0.75 0.11 0.00 0.05 0.00 0.00 55.36 56.32 1cgu s GLN 646 Cb -0.06 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.66 1cgu s GLN 646 CO 0.02 0.36 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.41 1cgu s LEU 647 N -0.15 2.57 -0.14 3.68 1.43 0.24 -4.91 118.68 121.40 1cgu s LEU 647 Ca 0.31 -0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1cgu s LEU 647 Cb -0.18 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.82 1cgu s LEU 647 CO 0.17 0.10 -0.10 -0.70 0.23 0.00 0.00 176.35 176.05 1cgu s GLU 648 N -2.89 1.86 0.04 1.70 2.12 -1.26 -0.26 118.70 120.01 1cgu s GLU 648 Ca 0.23 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 1cgu s GLU 648 Cb -0.07 -1.89 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 1cgu s GLU 648 CO 0.12 -0.28 -0.01 -0.59 -0.54 0.00 0.00 175.26 173.96 1cgu s PHE 649 N 1.59 0.36 -0.08 5.30 -0.71 0.26 -0.68 117.98 124.04 1cgu s PHE 649 Ca 0.04 -0.76 -0.09 0.00 -1.04 0.00 0.00 56.93 55.08 1cgu s PHE 649 Cb -0.13 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.43 1cgu s PHE 649 CO -0.09 -0.30 0.24 0.15 -1.34 0.00 0.00 175.22 173.88 1cgu s LYS 650 N -2.73 0.34 0.49 1.99 1.02 -0.10 -1.20 119.74 119.55 1cgu s LYS 650 Ca -0.04 0.22 -0.03 0.00 0.02 0.00 0.00 55.97 56.13 1cgu s LYS 650 Cb -0.01 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1cgu s LYS 650 CO -0.06 -0.06 0.76 -0.06 -0.92 0.00 0.00 175.35 175.02 1cgu s PHE 651 N -0.16 3.35 -0.09 3.18 0.40 -1.26 -2.37 117.98 121.03 1cgu s PHE 651 Ca -0.03 0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 56.53 1cgu s PHE 651 Cb -0.03 -2.40 0.08 0.00 0.51 0.00 0.00 43.02 41.18 1cgu s PHE 651 CO 0.01 -0.43 0.74 -0.59 0.70 0.00 0.00 175.22 175.64 1cgu s PHE 652 N -2.72 -0.63 -0.09 0.36 -0.71 -1.00 -2.36 117.98 110.83 1cgu s PHE 652 Ca 0.49 1.14 -0.11 0.00 -1.04 0.00 0.00 56.93 57.41 1cgu s PHE 652 Cb -0.10 0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 1cgu s PHE 652 CO 0.42 -0.54 0.27 0.15 -1.34 0.00 0.00 175.22 174.18 1cgu s LYS 653 N -0.99 3.82 -0.03 1.99 1.02 -0.17 -1.00 119.74 124.37 1cgu s LYS 653 Ca -0.08 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.02 1cgu s LYS 653 Cb -0.01 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.07 1cgu s LYS 653 CO 0.08 0.61 -0.00 0.21 -0.92 0.00 0.00 175.35 175.33 1cgu s LYS 654 N -0.67 0.33 0.00 1.68 2.20 0.23 -0.60 119.74 122.90 1cgu s LYS 654 Ca 0.18 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 1cgu s LYS 654 Cb -0.14 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1cgu s LYS 654 CO 0.07 -0.13 0.00 -1.71 -0.36 0.00 0.00 175.35 173.22 1cgu n ASN 655 N 4.10 0.00 0.00 1.43 4.05 -0.67 -0.83 115.26 123.34 1cgu n ASN 655 Ca -0.27 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.76 1cgu n ASN 655 Cb 0.50 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.51 1cgu n ASN 655 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cgu n GLY 656 N 3.62 -0.09 0.59 8.20 0.00 -1.26 -4.80 105.19 111.45 1cgu n GLY 656 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1cgu n GLY 656 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cgu n SER 657 N -0.33 2.83 -4.38 1.61 7.64 -1.26 -4.86 113.62 114.88 1cgu n SER 657 Ca 0.00 -1.99 -0.45 0.00 1.01 0.00 0.00 58.87 57.44 1cgu n SER 657 Cb 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 1cgu n SER 657 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1cgu s THR 658 N -1.00 5.06 0.08 0.44 2.01 -1.26 -4.95 115.64 116.03 1cgu s THR 658 Ca 0.21 -1.64 -0.25 0.00 0.31 0.00 0.00 61.69 60.32 1cgu s THR 658 Cb 0.11 -4.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.00 1cgu s THR 658 CO 0.15 -1.19 0.76 -0.63 -0.69 0.00 0.00 174.62 173.02 1cgu s ILE 659 N 1.84 4.62 -0.19 1.82 -1.09 -1.26 -1.67 121.20 125.27 1cgu s ILE 659 Ca 0.19 1.64 -0.04 0.00 -2.23 0.00 0.00 60.65 60.21 1cgu s ILE 659 Cb -0.15 -4.12 0.09 0.00 -1.58 0.00 0.00 42.46 36.71 1cgu s ILE 659 CO -0.03 0.42 0.29 0.28 -1.23 0.00 0.00 174.94 174.67 1cgu s THR 660 N -0.43 -0.45 0.96 2.92 -1.32 0.23 -4.99 115.64 112.55 1cgu s THR 660 Ca 0.37 0.05 -0.14 0.00 -1.21 0.00 0.00 61.69 60.76 1cgu s THR 660 Cb -0.21 -0.63 0.17 0.00 -1.51 0.00 0.00 72.50 70.32 1cgu s THR 660 CO 0.24 -0.05 1.18 0.26 -2.21 0.00 0.00 174.62 174.04 1cgu s TRP 661 N 2.44 2.00 0.09 9.09 0.52 -1.26 -1.00 118.94 130.80 1cgu s TRP 661 Ca 0.06 0.65 -0.29 0.00 0.02 0.00 0.00 56.10 56.54 1cgu s TRP 661 Cb -0.14 -3.59 -0.05 0.00 -1.15 0.00 0.00 33.47 28.53 1cgu s TRP 661 CO -0.12 -2.63 0.91 -1.21 0.02 0.00 0.00 176.95 173.93 1cgu s GLU 662 N -5.48 4.64 1.01 4.98 2.02 -1.00 -4.89 118.70 119.99 1cgu s GLU 662 Ca 0.67 1.35 -0.16 0.00 0.02 0.00 0.00 54.97 56.86 1cgu s GLU 662 Cb -0.11 -3.38 0.20 0.00 0.10 0.00 0.00 34.13 30.94 1cgu s GLU 662 CO 0.53 0.21 1.19 -1.12 0.02 0.00 0.00 175.26 176.09 1cgu s SER 663 N 0.07 2.63 0.00 -0.19 0.01 -1.26 -4.93 113.70 110.03 1cgu s SER 663 Ca 0.45 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1cgu s SER 663 Cb -0.22 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.08 1cgu s SER 663 CO 0.28 -3.07 0.00 0.61 0.41 0.00 0.00 173.24 171.47 1cgu n GLY 664 N -2.39 -1.14 3.90 3.44 0.00 -1.26 -4.63 105.19 103.10 1cgu n GLY 664 Ca 0.11 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 1cgu n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cgu s SER 665 N -4.00 6.45 0.37 1.61 0.01 -1.26 -5.05 113.70 111.82 1cgu s SER 665 Ca 0.00 0.84 -0.26 0.00 1.31 0.00 0.00 55.95 57.84 1cgu s SER 665 Cb 0.00 -2.20 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 1cgu s SER 665 CO 0.00 -0.29 1.10 0.59 0.41 0.00 0.00 173.24 175.05 1cgu n ASN 666 N -1.18 1.73 -4.86 2.44 3.02 -1.26 -4.99 115.26 110.16 1cgu n ASN 666 Ca -0.00 1.12 -0.31 0.00 -0.03 0.00 0.00 54.58 55.35 1cgu n ASN 666 Cb 0.54 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.30 1cgu n ASN 666 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1cgu s HIS 667 N -1.17 3.46 0.06 3.10 3.76 -0.34 -4.90 115.29 119.26 1cgu s HIS 667 Ca 0.60 1.26 0.03 0.00 -0.15 0.00 0.00 55.06 56.81 1cgu s HIS 667 Cb -0.59 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 30.45 1cgu s HIS 667 CO 0.59 -0.23 -0.11 0.99 -0.85 0.00 0.00 174.74 175.14 1cgu s THR 668 N -2.48 0.79 -0.24 1.30 2.01 -1.26 -0.57 115.64 115.19 1cgu s THR 668 Ca 0.55 -1.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1cgu s THR 668 Cb -0.10 -0.83 0.08 0.00 0.01 0.00 0.00 72.50 71.66 1cgu s THR 668 CO 0.31 -0.32 0.56 0.12 -0.69 0.00 0.00 174.62 174.60 1cgu s PHE 669 N -1.37 -0.91 -0.22 4.92 5.36 0.64 -4.94 117.98 121.46 1cgu s PHE 669 Ca -0.06 1.80 -0.11 0.00 -0.96 0.00 0.00 56.93 57.60 1cgu s PHE 669 Cb -0.10 0.49 -0.05 0.00 -0.34 0.00 0.00 43.02 43.03 1cgu s PHE 669 CO 0.01 -0.47 0.17 0.99 -1.46 0.00 0.00 175.22 174.45 1cgu s THR 670 N 1.79 5.37 0.54 0.12 2.01 -1.26 0.83 115.64 125.03 1cgu s THR 670 Ca -0.09 0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 1cgu s THR 670 Cb -0.08 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1cgu s THR 670 CO -0.17 0.38 0.92 0.42 -0.69 0.00 0.00 174.62 175.48 1cgu s THR 671 N 0.77 4.77 0.67 -0.82 -4.23 0.35 -4.91 115.64 112.23 1cgu s THR 671 Ca 0.09 0.65 -0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1cgu s THR 671 Cb -0.13 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1cgu s THR 671 CO 0.02 -0.94 1.10 -2.16 -0.54 0.00 0.00 174.62 172.10 1cgu s PRO 672 N -4.79 2.79 0.24 3.99 0.04 -1.26 -3.05 135.00 132.96 1cgu s PRO 672 Ca 0.52 1.30 0.26 0.00 0.04 0.00 0.00 61.00 63.12 1cgu s PRO 672 Cb -0.11 -1.96 0.84 0.00 0.04 0.00 0.00 34.50 33.31 1cgu s PRO 672 CO 0.46 -1.25 1.76 0.00 0.04 0.00 0.00 177.00 178.02 1cgu h ALA 673 N -0.16 1.00 -2.73 8.56 0.00 -1.94 0.33 119.26 124.32 1cgu h ALA 673 Ca -0.46 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1cgu h ALA 673 Cb 1.24 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.91 1cgu h ALA 673 CO 0.54 0.00 -0.17 -1.54 0.00 0.00 0.00 179.25 178.08 1cgu s SER 674 N -4.58 -0.08 0.00 0.00 1.04 -1.26 -4.69 113.70 104.13 1cgu s SER 674 Ca 0.09 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1cgu s SER 674 Cb 0.11 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1cgu s SER 674 CO 0.55 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1cgu n GLY 675 N -0.26 0.39 3.30 7.32 0.00 -1.26 -4.91 105.19 109.77 1cgu n GLY 675 Ca -0.09 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 1cgu n GLY 675 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cgu s THR 676 N 0.00 1.52 0.18 2.61 -4.23 -1.26 -1.72 115.64 112.73 1cgu s THR 676 Ca 0.00 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1cgu s THR 676 Cb 0.00 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1cgu s THR 676 CO 0.00 -0.56 0.37 0.00 -0.54 0.00 0.00 174.62 173.89 1cgu s ALA 677 N -2.78 -0.32 0.02 3.99 0.00 -1.00 -4.89 121.76 116.78 1cgu s ALA 677 Ca 0.17 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.53 1cgu s ALA 677 Cb -0.01 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1cgu s ALA 677 CO 0.04 -0.70 -0.17 0.99 0.00 0.00 0.00 175.76 175.92 1cgu s THR 678 N -3.94 1.38 0.01 0.00 2.01 -1.26 -0.90 115.64 112.94 1cgu s THR 678 Ca 0.14 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 1cgu s THR 678 Cb 0.02 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 1cgu s THR 678 CO -0.01 0.24 -0.01 0.54 -0.69 0.00 0.00 174.62 174.69 1cgu s VAL 679 N -0.62 0.06 -0.11 3.82 0.11 -0.65 -4.95 120.40 118.05 1cgu s VAL 679 Ca 0.06 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1cgu s VAL 679 Cb -0.07 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1cgu s VAL 679 CO 0.01 -0.26 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.55 1cgu s THR 680 N -0.76 1.00 0.23 5.04 2.01 -1.26 -1.18 115.64 120.73 1cgu s THR 680 Ca -0.08 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 61.75 1cgu s THR 680 Cb -0.05 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1cgu s THR 680 CO -0.00 0.36 -0.21 0.68 -0.69 0.00 0.00 174.62 174.75 1cgu s VAL 681 N 1.64 2.33 -0.26 3.82 -7.23 0.37 -5.00 120.40 116.07 1cgu s VAL 681 Ca 0.03 -2.19 -0.15 0.00 -1.81 0.00 0.00 61.98 57.86 1cgu s VAL 681 Cb -0.13 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1cgu s VAL 681 CO -0.07 -0.28 0.36 0.20 -0.31 0.00 0.00 175.10 175.00 1cgu s ASN 682 N -3.06 6.27 -0.18 4.85 0.01 -1.26 -0.62 114.94 120.93 1cgu s ASN 682 Ca 0.24 0.31 -0.40 0.00 -0.71 0.00 0.00 52.86 52.30 1cgu s ASN 682 Cb -0.06 -2.21 -0.17 0.00 0.41 0.00 0.00 41.25 39.22 1cgu s ASN 682 CO 0.12 -0.16 1.52 1.87 -1.51 0.00 0.00 177.10 178.94 1cgu n TRP 683 N 5.16 1.67 0.29 2.20 -0.00 0.28 -4.88 117.44 122.15 1cgu n TRP 683 Ca -0.09 0.74 0.03 0.00 -0.00 0.00 0.00 57.50 58.19 1cgu n TRP 683 Cb 0.51 -2.34 0.03 0.00 -0.00 0.00 0.00 31.31 29.51 1cgu n TRP 683 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69