#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uks s PRO 2 N 0.00 2.38 0.53 0.00 0.04 -1.26 -4.56 135.00 132.13 1uks s PRO 2 Ca 0.00 1.26 0.24 0.00 0.04 0.00 0.00 61.00 62.55 1uks s PRO 2 Cb 0.00 -1.91 1.38 0.00 0.04 0.00 0.00 34.50 34.02 1uks s PRO 2 CO 0.00 -1.56 2.01 0.38 0.04 0.00 0.00 177.00 177.87 1uks h ASP 3 N -0.78 0.00 0.13 6.66 2.03 -1.93 -2.30 116.42 120.23 1uks h ASP 3 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1uks h ASP 3 Cb 1.24 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1uks h ASP 3 CO 0.52 0.00 -0.07 0.35 -1.03 0.00 0.00 179.24 179.01 1uks n THR 4 N -4.40 0.00 -1.93 1.15 -2.24 -1.26 -4.84 114.28 100.77 1uks n THR 4 Ca 0.08 -0.13 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 1uks n THR 4 Cb 0.55 0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1uks n THR 4 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uks s SER 5 N -2.20 5.22 0.50 3.42 0.15 -0.87 -4.89 113.70 115.02 1uks s SER 5 Ca 0.36 2.54 0.23 0.00 0.70 0.00 0.00 55.95 59.77 1uks s SER 5 Cb 0.21 -2.61 1.30 0.00 -1.71 0.00 0.00 66.02 63.20 1uks s SER 5 CO 0.41 -1.58 2.05 1.62 1.20 0.00 0.00 173.24 176.93 1uks h VAL 6 N 1.11 0.77 0.00 4.45 3.04 -1.91 -1.77 116.25 121.95 1uks h VAL 6 Ca -0.51 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 1uks h VAL 6 Cb 1.30 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 1uks h VAL 6 CO 0.56 0.14 0.00 -1.54 -1.01 0.00 0.00 177.57 175.72 1uks n SER 7 N -3.88 0.00 -4.57 3.17 3.41 -1.26 -4.45 113.62 106.05 1uks n SER 7 Ca -0.02 -0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 57.90 1uks n SER 7 Cb 0.24 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1uks n SER 7 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1uks s ASN 8 N -2.33 6.54 0.36 4.04 3.04 -0.67 -4.76 114.94 121.16 1uks s ASN 8 Ca 0.24 -1.73 0.26 0.00 0.04 0.00 0.00 52.86 51.68 1uks s ASN 8 Cb 0.14 -2.57 0.80 0.00 -1.54 0.00 0.00 41.25 38.07 1uks s ASN 8 CO 0.28 -1.47 1.75 0.11 -3.04 0.00 0.00 177.10 174.73 1uks h LYS 9 N 9.18 0.00 0.04 0.43 1.57 -1.86 -3.34 116.57 122.58 1uks h LYS 9 Ca 0.27 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.81 1uks h LYS 9 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1uks h LYS 9 CO 1.43 0.00 -1.15 1.96 -0.57 0.00 0.00 179.45 181.12 1uks h GLN 10 N 0.00 0.08 -4.00 3.15 7.50 -1.85 0.38 115.11 120.36 1uks h GLN 10 Ca 0.00 -0.14 -0.30 0.00 0.50 0.00 0.00 58.65 58.72 1uks h GLN 10 Cb 0.71 0.05 -0.29 0.00 0.05 0.00 0.00 27.48 28.00 1uks h GLN 10 CO 0.00 1.02 -0.74 -0.80 -1.50 0.00 0.00 178.83 176.80 1uks s ASN 11 N -6.78 0.37 -0.03 1.46 0.01 -1.26 -4.06 114.94 104.65 1uks s ASN 11 Ca -0.01 -0.05 0.05 0.00 -0.71 0.00 0.00 52.86 52.13 1uks s ASN 11 Cb 0.09 -0.08 0.07 0.00 0.41 0.00 0.00 41.25 41.75 1uks s ASN 11 CO 0.84 0.01 1.00 0.49 -1.51 0.00 0.00 177.10 177.93 1uks n PHE 12 N 3.22 0.00 0.29 2.20 3.01 -1.26 -4.77 117.46 120.15 1uks n PHE 12 Ca -0.15 -0.58 0.15 0.00 1.01 0.00 0.00 57.45 57.88 1uks n PHE 12 Cb 0.57 -0.07 0.87 0.00 -0.01 0.00 0.00 39.48 40.84 1uks n PHE 12 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1uks h SER 13 N 0.00 0.00 -0.06 4.37 0.02 -1.80 -0.23 113.55 115.85 1uks h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uks h SER 13 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1uks h SER 13 CO 0.00 0.05 0.00 0.35 -1.14 0.00 0.00 176.83 176.09 1uks n THR 14 N -3.67 0.06 -4.04 -2.27 -2.24 -1.26 -4.53 114.28 96.32 1uks n THR 14 Ca -0.02 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.36 1uks n THR 14 Cb 0.15 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1uks n THR 14 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1uks s ASP 15 N -1.78 5.66 -0.12 3.42 1.11 -0.10 -3.68 116.67 121.18 1uks s ASP 15 Ca 0.36 -0.21 0.01 0.00 0.18 0.00 0.00 52.55 52.89 1uks s ASP 15 Cb 0.18 -1.44 0.02 0.00 1.07 0.00 0.00 42.92 42.75 1uks s ASP 15 CO 0.29 -0.08 -0.14 -0.69 1.18 0.00 0.00 175.17 175.73 1uks s VAL 16 N -2.12 1.45 -0.05 -1.27 1.01 -1.26 -4.25 120.40 113.90 1uks s VAL 16 Ca 0.34 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 1uks s VAL 16 Cb -0.08 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1uks s VAL 16 CO 0.26 0.43 0.46 -0.63 0.00 0.00 0.00 175.10 175.62 1uks s ILE 17 N 1.18 5.07 -0.25 2.22 1.01 -0.38 -1.46 121.20 128.60 1uks s ILE 17 Ca -0.03 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 61.53 1uks s ILE 17 Cb -0.14 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1uks s ILE 17 CO -0.04 0.45 -0.02 -0.47 0.00 0.00 0.00 174.94 174.85 1uks s TYR 18 N -0.23 3.05 -0.36 3.97 6.14 0.02 -0.18 117.35 129.75 1uks s TYR 18 Ca 0.25 -1.21 -0.21 0.00 0.64 0.00 0.00 57.07 56.55 1uks s TYR 18 Cb -0.16 -2.12 0.00 0.00 0.42 0.00 0.00 41.96 40.10 1uks s TYR 18 CO 0.12 -0.63 0.67 -1.14 0.64 0.00 0.00 175.55 175.21 1uks s GLN 19 N 1.42 3.69 -0.15 4.97 0.74 0.40 -1.07 119.66 129.65 1uks s GLN 19 Ca 0.03 0.10 -0.03 0.00 0.05 0.00 0.00 55.36 55.51 1uks s GLN 19 Cb -0.16 -3.81 -0.02 0.00 1.10 0.00 0.00 33.01 30.12 1uks s GLN 19 CO -0.03 -0.77 -0.06 0.42 -0.55 0.00 0.00 175.29 174.31 1uks s ILE 20 N 2.80 3.67 -0.58 -2.34 1.01 0.65 -0.83 121.20 125.58 1uks s ILE 20 Ca 0.26 -0.44 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 1uks s ILE 20 Cb -0.14 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.79 1uks s ILE 20 CO 0.15 0.50 0.92 -0.36 0.00 0.00 0.00 174.94 176.15 1uks s PHE 21 N 0.34 2.78 0.35 3.97 2.99 -1.26 -3.40 117.98 123.75 1uks s PHE 21 Ca -0.06 -0.22 0.16 0.00 0.00 0.00 0.00 56.93 56.81 1uks s PHE 21 Cb -0.15 -4.08 1.09 0.00 0.00 0.00 0.00 43.02 39.88 1uks s PHE 21 CO 0.04 -1.41 1.68 1.15 -0.00 0.00 0.00 175.22 176.67 1uks h THR 22 N 5.99 0.33 0.00 0.64 2.02 -1.91 -0.26 112.91 119.73 1uks h THR 22 Ca -0.27 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 1uks h THR 22 Cb 1.07 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1uks h THR 22 CO 1.10 0.06 -0.28 -0.78 0.37 0.00 0.00 175.52 176.00 1uks h ASP 23 N 0.34 0.00 -0.40 4.18 1.82 -1.80 -3.09 116.42 117.48 1uks h ASP 23 Ca 0.72 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.36 1uks h ASP 23 Cb 1.68 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.69 1uks h ASP 23 CO -0.55 0.28 0.00 0.54 -1.61 0.00 0.00 179.24 177.90 1uks n ARG 24 N -3.62 2.40 0.00 0.28 5.12 -0.12 -1.41 116.66 119.31 1uks n ARG 24 Ca -0.01 -2.19 0.00 0.00 -1.93 0.00 0.00 57.85 53.72 1uks n ARG 24 Cb 0.41 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 1uks n ARG 24 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1uks n PHE 25 N 1.26 0.00 -3.75 -1.55 7.35 -1.16 -2.09 117.46 117.53 1uks n PHE 25 Ca 0.17 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.72 1uks n PHE 25 Cb 0.54 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.23 1uks n PHE 25 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1uks s SER 26 N -1.00 -0.01 -0.89 -2.13 0.15 -1.26 -4.68 113.70 103.89 1uks s SER 26 Ca 0.00 0.25 -0.24 0.00 0.70 0.00 0.00 55.95 56.66 1uks s SER 26 Cb 0.00 0.14 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1uks s SER 26 CO 0.00 -0.15 1.32 -0.62 1.20 0.00 0.00 173.24 174.99 1uks s ASP 27 N 1.24 6.37 0.20 5.45 3.68 -1.26 -1.67 116.67 130.68 1uks s ASP 27 Ca -0.08 -1.13 0.24 0.00 2.13 0.00 0.00 52.55 53.71 1uks s ASP 27 Cb -0.12 -2.54 0.44 0.00 -1.45 0.00 0.00 42.92 39.26 1uks s ASP 27 CO -0.05 -1.57 1.47 1.23 0.13 0.00 0.00 175.17 176.37 1uks h GLY 28 N 12.52 0.00 -6.91 2.66 0.00 -1.83 -3.43 103.07 106.07 1uks h GLY 28 Ca -0.01 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.79 1uks h GLY 28 CO 1.33 0.00 -0.77 0.21 0.00 0.00 0.00 176.54 177.31 1uks s ASN 29 N -4.73 3.49 0.47 0.19 2.47 -1.26 -4.76 114.94 110.82 1uks s ASN 29 Ca 0.07 -1.27 0.24 0.00 0.42 0.00 0.00 52.86 52.32 1uks s ASN 29 Cb 0.11 -0.46 1.18 0.00 -1.45 0.00 0.00 41.25 40.63 1uks s ASN 29 CO 0.68 -0.42 1.96 -0.65 -3.72 0.00 0.00 177.10 174.95 1uks h PRO 30 N 8.34 0.00 0.00 0.43 0.11 -1.90 -3.23 132.00 135.75 1uks h PRO 30 Ca -0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 1uks h PRO 30 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1uks h PRO 30 CO 0.43 0.19 -0.10 0.00 -0.21 0.00 0.00 178.00 178.31 1uks h ALA 31 N 1.81 1.10 -0.35 -0.75 0.00 -1.98 -2.12 119.26 116.96 1uks h ALA 31 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uks h ALA 31 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1uks h ALA 31 CO 0.03 0.13 0.00 0.27 0.00 0.00 0.00 179.25 179.67 1uks n ASN 32 N -3.36 2.04 -4.73 0.00 0.23 -1.22 -4.94 115.26 103.28 1uks n ASN 32 Ca -0.01 -1.95 -0.41 0.00 -0.53 0.00 0.00 54.58 51.68 1uks n ASN 32 Cb 0.29 -0.23 -0.03 0.00 -2.08 0.00 0.00 39.78 37.72 1uks n ASN 32 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1uks s ASN 33 N -1.11 7.15 0.64 0.53 0.01 -0.80 -4.21 114.94 117.15 1uks s ASN 33 Ca 0.28 2.11 -0.17 0.00 -0.71 0.00 0.00 52.86 54.36 1uks s ASN 33 Cb 0.14 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 39.10 1uks s ASN 33 CO 0.20 -0.34 0.13 -2.65 -1.51 0.00 0.00 177.10 172.93 1uks n PRO 34 N 2.87 0.20 -4.39 -0.60 -0.02 -1.26 -5.02 135.00 126.78 1uks n PRO 34 Ca 0.05 0.09 -0.26 0.00 -2.02 0.00 0.00 63.50 61.36 1uks n PRO 34 Cb 0.46 -1.40 -0.09 0.00 -0.02 0.00 0.00 33.50 32.45 1uks n PRO 34 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1uks s THR 35 N -1.91 2.29 0.00 3.45 -4.23 -1.26 -4.58 115.64 109.40 1uks s THR 35 Ca 0.60 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1uks s THR 35 Cb -0.41 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1uks s THR 35 CO 0.63 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1uks n GLY 36 N -1.02 1.34 0.07 3.99 0.00 -1.26 -2.97 105.19 105.34 1uks n GLY 36 Ca -0.04 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1uks n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks n ALA 37 N 8.77 1.72 1.13 4.61 0.00 -1.26 -2.22 120.51 133.27 1uks n ALA 37 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1uks n ALA 37 Cb 0.00 -1.33 0.52 0.00 0.00 0.00 0.00 19.45 18.63 1uks n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uks n ALA 38 N -1.65 2.80 -2.37 0.00 0.00 -1.16 -4.90 120.51 113.24 1uks n ALA 38 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 52.96 1uks n ALA 38 Cb 0.22 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.18 1uks n ALA 38 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1uks s PHE 39 N -2.83 2.09 -0.30 0.00 5.36 -0.94 -1.39 117.98 119.97 1uks s PHE 39 Ca 0.18 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.73 1uks s PHE 39 Cb 0.19 -1.33 0.11 0.00 -0.34 0.00 0.00 43.02 41.64 1uks s PHE 39 CO 0.56 -0.02 0.14 0.34 -1.46 0.00 0.00 175.22 174.78 1uks s ASP 40 N -0.63 3.54 0.52 6.13 2.15 0.34 -4.82 116.67 123.90 1uks s ASP 40 Ca 0.09 -1.47 0.24 0.00 0.43 0.00 0.00 52.55 51.84 1uks s ASP 40 Cb -0.09 -0.44 1.39 0.00 -0.30 0.00 0.00 42.92 43.48 1uks s ASP 40 CO -0.01 -0.42 2.09 1.23 -0.17 0.00 0.00 175.17 177.90 1uks h GLY 41 N 8.17 0.00 2.00 2.66 0.00 -1.82 -0.87 103.07 113.20 1uks h GLY 41 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1uks h GLY 41 CO 0.42 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.82 1uks n SER 42 N -3.91 0.47 -3.94 0.19 3.41 -1.26 -4.90 113.62 103.67 1uks n SER 42 Ca -0.02 0.56 -0.29 0.00 -0.26 0.00 0.00 58.87 58.86 1uks n SER 42 Cb 0.20 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.48 1uks n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uks n THR 44 N -4.50 0.02 -3.49 0.00 -2.24 -1.26 -4.64 114.28 98.16 1uks n THR 44 Ca -0.07 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1uks n THR 44 Cb 0.57 0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1uks n THR 44 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1uks s ASN 45 N -3.95 5.87 0.00 3.42 3.84 -1.26 -4.93 114.94 117.93 1uks s ASN 45 Ca -0.01 -1.67 0.09 0.00 0.21 0.00 0.00 52.86 51.48 1uks s ASN 45 Cb 0.15 -2.08 0.56 0.00 -0.55 0.00 0.00 41.25 39.33 1uks s ASN 45 CO 0.89 -0.68 1.05 0.18 -2.79 0.00 0.00 177.10 175.75 1uks n LEU 46 N 5.04 0.00 -0.68 3.21 4.32 -1.26 -2.22 117.00 125.41 1uks n LEU 46 Ca -0.11 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 55.96 1uks n LEU 46 Cb 0.42 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.33 1uks n LEU 46 CO 0.45 0.00 0.55 0.54 -1.22 0.00 0.00 177.39 177.71 1uks n ARG 47 N -0.75 1.72 -3.48 3.23 1.74 -1.26 -4.91 116.66 112.94 1uks n ARG 47 Ca 0.07 -1.69 -0.20 0.00 -0.77 0.00 0.00 57.85 55.25 1uks n ARG 47 Cb 0.03 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 1uks n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uks s LEU 48 N -1.12 3.39 0.10 0.55 1.43 -0.94 -1.54 118.68 120.55 1uks s LEU 48 Ca 0.22 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 1uks s LEU 48 Cb 0.13 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.20 1uks s LEU 48 CO 0.19 -0.71 1.17 -0.31 0.23 0.00 0.00 176.35 176.92 1uks s TYR 49 N -2.47 3.48 -0.20 0.29 2.02 -0.48 -4.84 117.35 115.14 1uks s TYR 49 Ca 0.49 1.40 0.22 0.00 -0.37 0.00 0.00 57.07 58.81 1uks s TYR 49 Cb -0.04 -3.37 -0.18 0.00 -0.40 0.00 0.00 41.96 37.97 1uks s TYR 49 CO 0.29 -1.05 0.75 0.00 -1.57 0.00 0.00 175.55 173.96 1uks n GLY 51 N 1.26 1.08 3.76 0.00 0.00 -1.25 -4.63 105.19 105.40 1uks n GLY 51 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1uks n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uks s GLY 52 N -1.41 2.87 0.31 -0.02 0.00 -0.50 -4.30 107.32 104.27 1uks s GLY 52 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 45.93 1uks s GLY 52 CO 0.00 1.79 0.49 2.09 0.00 0.00 0.00 173.10 177.46 1uks n ASP 53 N -0.64 -1.38 0.06 1.64 5.68 -0.67 -3.81 116.55 117.44 1uks n ASP 53 Ca 0.08 -2.53 -0.05 0.00 -0.50 0.00 0.00 54.79 51.79 1uks n ASP 53 Cb 0.45 2.46 0.15 0.00 -1.14 0.00 0.00 41.12 43.04 1uks n ASP 53 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 1uks h TRP 54 N 1.85 0.41 -0.39 2.11 6.55 -1.56 -2.23 115.95 122.68 1uks h TRP 54 Ca -0.25 -0.13 -0.01 0.00 0.95 0.00 0.00 58.89 59.46 1uks h TRP 54 Cb 1.02 -0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 29.21 1uks h TRP 54 CO 0.00 0.75 0.20 0.37 -1.05 0.00 0.00 178.44 178.72 1uks h GLN 55 N 0.27 0.54 -0.59 0.49 5.75 -1.89 -1.62 115.11 118.06 1uks h GLN 55 Ca 0.01 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 1uks h GLN 55 Cb 0.95 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1uks h GLN 55 CO 0.08 0.41 -0.03 0.78 -2.65 0.00 0.00 178.83 177.41 1uks h GLY 56 N 0.63 1.14 0.90 2.39 0.00 -1.46 -0.88 103.07 105.79 1uks h GLY 56 Ca 0.14 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1uks h GLY 56 CO -0.02 0.79 -0.13 -2.22 0.00 0.00 0.00 176.54 174.96 1uks h ILE 57 N 0.96 1.29 -0.88 2.60 2.04 -1.29 -2.41 117.51 119.82 1uks h ILE 57 Ca 0.16 -1.21 0.12 0.00 1.00 0.00 0.00 64.86 64.93 1uks h ILE 57 Cb 0.59 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 38.06 1uks h ILE 57 CO 0.04 0.38 0.51 0.40 0.00 0.00 0.00 178.15 179.48 1uks h ILE 58 N 0.35 0.85 -0.69 -0.67 2.04 -0.91 -1.11 117.51 117.37 1uks h ILE 58 Ca 0.07 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1uks h ILE 58 Cb 0.64 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1uks h ILE 58 CO 0.04 0.14 0.19 0.78 0.00 0.00 0.00 178.15 179.31 1uks h ASN 59 N 0.79 1.03 1.40 1.72 2.35 -0.99 -1.01 115.58 120.88 1uks h ASN 59 Ca 0.45 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1uks h ASN 59 Cb 0.50 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1uks h ASN 59 CO -0.29 0.98 -0.01 0.29 -1.65 0.00 0.00 177.43 176.75 1uks n LYS 60 N -4.28 0.23 -0.01 0.81 4.76 -0.75 -1.47 118.16 117.45 1uks n LYS 60 Ca 0.05 0.18 -0.17 0.00 -2.87 0.00 0.00 58.31 55.50 1uks n LYS 60 Cb 0.24 -1.76 -0.14 0.00 -1.84 0.00 0.00 35.03 31.53 1uks n LYS 60 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1uks h ILE 61 N 0.00 1.61 -0.85 -0.18 2.04 -0.88 -1.76 117.51 117.49 1uks h ILE 61 Ca 0.00 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.42 1uks h ILE 61 Cb 0.71 3.25 -0.04 0.00 -0.74 0.00 0.00 36.82 40.00 1uks h ILE 61 CO 0.00 0.65 0.50 0.78 0.00 0.00 0.00 178.15 180.08 1uks h ASN 62 N -0.69 1.03 -0.16 1.72 -0.26 -1.04 -2.82 115.58 113.37 1uks h ASN 62 Ca -0.09 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1uks h ASN 62 Cb 1.33 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1uks h ASN 62 CO 0.06 0.80 0.00 -0.90 -1.06 0.00 0.00 177.43 176.34 1uks n ASP 63 N -4.42 0.96 -0.00 5.81 5.68 -0.54 -4.90 116.55 119.13 1uks n ASP 63 Ca 0.09 -1.87 -0.00 0.00 -0.50 0.00 0.00 54.79 52.51 1uks n ASP 63 Cb 0.07 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1uks n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uks n GLY 64 N 0.85 0.48 0.13 6.12 0.00 -1.06 -4.95 105.19 106.76 1uks n GLY 64 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1uks n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1uks h TYR 65 N 0.00 0.39 0.23 1.61 3.20 -1.63 -0.31 116.97 120.45 1uks h TYR 65 Ca -0.00 -0.08 -0.31 0.00 3.14 0.00 0.00 58.73 61.48 1uks h TYR 65 Cb 0.01 -0.10 0.04 0.00 1.54 0.00 0.00 36.73 38.22 1uks h TYR 65 CO 0.01 0.59 -1.35 -0.07 -1.64 0.00 0.00 178.16 175.71 1uks h LEU 66 N 0.06 0.79 -0.54 2.82 4.07 -1.64 -3.30 115.31 117.58 1uks h LEU 66 Ca 0.05 -0.92 -0.11 0.00 0.08 0.00 0.00 57.88 56.98 1uks h LEU 66 Cb 0.46 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 1uks h LEU 66 CO 0.02 1.65 -0.53 0.71 -1.08 0.00 0.00 178.44 179.21 1uks h THR 67 N 0.07 1.06 0.00 0.22 1.35 -1.80 -2.90 112.91 110.91 1uks h THR 67 Ca -0.23 -2.05 -0.03 0.00 -0.55 0.00 0.00 66.41 63.55 1uks h THR 67 Cb 2.06 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 70.69 1uks h THR 67 CO 0.25 0.52 -0.16 1.23 -0.25 0.00 0.00 175.52 177.11 1uks h GLY 68 N 2.54 0.00 1.73 5.82 0.00 -1.15 -2.01 103.07 110.01 1uks h GLY 68 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1uks h GLY 68 CO 0.07 0.00 -0.19 -0.13 0.00 0.00 0.00 176.54 176.29 1uks n MET 69 N -3.67 0.22 -0.55 4.80 0.00 -1.11 -4.73 117.12 112.08 1uks n MET 69 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.83 1uks n MET 69 Cb 0.28 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.78 1uks n MET 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1uks n GLY 70 N 1.35 0.71 3.75 -5.12 0.00 -0.76 -2.88 105.19 102.24 1uks n GLY 70 Ca 0.05 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1uks n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uks s ILE 71 N -2.00 2.81 0.00 -0.61 -1.09 -1.16 -4.59 121.20 114.56 1uks s ILE 71 Ca 0.00 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1uks s ILE 71 Cb 0.00 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1uks s ILE 71 CO 0.00 0.12 0.60 0.35 -1.23 0.00 0.00 174.94 174.78 1uks n THR 72 N 2.22 0.27 -3.71 2.92 -2.24 -0.53 -4.72 114.28 108.48 1uks n THR 72 Ca 0.06 -0.59 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 1uks n THR 72 Cb 0.41 0.93 -0.09 0.00 -2.10 0.00 0.00 70.33 69.48 1uks n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uks s ALA 73 N -0.27 -1.11 -0.04 6.98 0.00 -0.77 -1.41 121.76 125.14 1uks s ALA 73 Ca 0.00 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1uks s ALA 73 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1uks s ALA 73 CO 0.00 -0.24 -0.25 -1.50 0.00 0.00 0.00 175.76 173.77 1uks s ILE 74 N -0.29 2.03 -0.20 0.00 1.10 -0.37 -0.80 121.20 122.68 1uks s ILE 74 Ca -0.04 -1.07 0.01 0.00 -0.51 0.00 0.00 60.65 59.04 1uks s ILE 74 Cb -0.03 -1.71 0.03 0.00 0.15 0.00 0.00 42.46 40.90 1uks s ILE 74 CO 0.02 0.57 -0.16 0.86 -2.11 0.00 0.00 174.94 174.12 1uks s TRP 75 N -0.31 2.81 0.32 3.50 -0.00 -0.23 -0.86 118.94 124.16 1uks s TRP 75 Ca 0.01 -1.77 0.09 0.00 -0.00 0.00 0.00 56.10 54.43 1uks s TRP 75 Cb -0.12 -1.87 -0.04 0.00 -0.00 0.00 0.00 33.47 31.43 1uks s TRP 75 CO 0.02 -0.81 0.08 0.96 -0.00 0.00 0.00 176.95 177.20 1uks s ILE 76 N 1.27 3.10 0.72 5.86 -4.36 -0.60 -0.25 121.20 126.94 1uks s ILE 76 Ca 0.01 -1.80 -0.16 0.00 -0.26 0.00 0.00 60.65 58.44 1uks s ILE 76 Cb -0.15 -2.91 0.01 0.00 1.25 0.00 0.00 42.46 40.65 1uks s ILE 76 CO -0.10 -0.24 0.98 -1.20 0.24 0.00 0.00 174.94 174.61 1uks n SER 77 N -1.04 0.54 -4.68 4.36 7.64 -1.22 -2.24 113.62 116.98 1uks n SER 77 Ca -0.04 0.67 -0.45 0.00 1.01 0.00 0.00 58.87 60.05 1uks n SER 77 Cb 0.61 -1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 1uks n SER 77 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1uks n GLN 78 N -1.89 2.31 0.00 1.43 7.27 -1.26 -4.46 117.38 120.78 1uks n GLN 78 Ca 0.13 0.84 0.13 0.00 0.07 0.00 0.00 57.00 58.17 1uks n GLN 78 Cb 0.49 -2.64 0.52 0.00 2.41 0.00 0.00 30.24 31.02 1uks n GLN 78 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1uks n PRO 79 N 4.22 0.04 -1.85 3.69 -0.04 -1.26 -4.69 135.00 135.10 1uks n PRO 79 Ca 0.18 -0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 1uks n PRO 79 Cb 0.31 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1uks n PRO 79 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1uks s VAL 80 N -2.97 3.88 0.24 0.52 -7.23 -1.26 -1.03 120.40 112.55 1uks s VAL 80 Ca 0.14 0.78 -0.31 0.00 -1.81 0.00 0.00 61.98 60.78 1uks s VAL 80 Cb 0.19 -3.38 -0.12 0.00 0.56 0.00 0.00 36.38 33.63 1uks s VAL 80 CO 0.57 -0.64 1.68 1.21 -0.31 0.00 0.00 175.10 177.61 1uks n GLU 81 N -2.47 2.74 -3.96 4.82 2.13 -0.08 -3.61 120.64 120.22 1uks n GLU 81 Ca 0.08 0.98 -0.23 0.00 0.66 0.00 0.00 57.16 58.65 1uks n GLU 81 Cb 0.53 -2.81 -0.06 0.00 0.27 0.00 0.00 31.44 29.37 1uks n GLU 81 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1uks s ASN 82 N 0.93 4.65 0.66 4.31 0.02 -1.26 -0.82 114.94 123.43 1uks s ASN 82 Ca 0.71 -0.93 -0.16 0.00 -1.02 0.00 0.00 52.86 51.45 1uks s ASN 82 Cb -0.51 -0.55 0.00 0.00 0.02 0.00 0.00 41.25 40.22 1uks s ASN 82 CO 0.38 -0.54 1.19 0.27 0.02 0.00 0.00 177.10 178.43 1uks s ILE 83 N -2.54 2.58 -1.08 0.60 -4.36 -0.56 -4.69 121.20 111.15 1uks s ILE 83 Ca 0.43 0.31 0.23 0.00 -0.26 0.00 0.00 60.65 61.35 1uks s ILE 83 Cb 0.01 -2.96 -0.12 0.00 1.25 0.00 0.00 42.46 40.65 1uks s ILE 83 CO 0.24 -0.13 1.12 -1.22 0.24 0.00 0.00 174.94 175.20 1uks n TYR 84 N -2.22 0.00 -1.81 1.37 4.01 -1.26 -4.61 117.16 112.63 1uks n TYR 84 Ca 0.13 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.48 1uks n TYR 84 Cb 0.50 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 1uks n TYR 84 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1uks s SER 85 N -2.96 5.50 -0.37 7.72 0.01 -1.26 -4.99 113.70 117.34 1uks s SER 85 Ca 0.10 2.79 -0.15 0.00 1.31 0.00 0.00 55.95 60.00 1uks s SER 85 Cb 0.17 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1uks s SER 85 CO 0.78 -1.42 0.32 -0.69 0.41 0.00 0.00 173.24 172.64 1uks s VAL 86 N -1.28 5.22 -0.17 3.43 1.01 -1.26 -4.61 120.40 122.74 1uks s VAL 86 Ca 0.68 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1uks s VAL 86 Cb -0.41 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1uks s VAL 86 CO 0.50 -0.18 0.20 -0.63 0.00 0.00 0.00 175.10 174.99 1uks s ILE 87 N 1.85 5.37 -0.33 2.22 1.01 0.13 -4.84 121.20 126.62 1uks s ILE 87 Ca 0.08 0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.94 1uks s ILE 87 Cb -0.18 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1uks s ILE 87 CO 0.11 0.45 0.29 0.21 0.00 0.00 0.00 174.94 176.01 1uks s ASN 88 N 0.13 6.11 -0.39 3.58 3.84 -1.26 0.24 114.94 127.19 1uks s ASN 88 Ca 0.13 -0.25 -0.09 0.00 0.21 0.00 0.00 52.86 52.86 1uks s ASN 88 Cb -0.12 -2.16 0.06 0.00 -0.55 0.00 0.00 41.25 38.47 1uks s ASN 88 CO 0.02 -0.25 0.21 -0.31 -2.79 0.00 0.00 177.10 173.98 1uks s TYR 89 N 1.86 3.30 -0.90 0.43 1.51 0.92 -4.72 117.35 119.77 1uks s TYR 89 Ca 0.09 -1.40 -0.23 0.00 -1.01 0.00 0.00 57.07 54.52 1uks s TYR 89 Cb -0.17 -2.69 0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1uks s TYR 89 CO 0.11 -0.78 0.52 0.43 -1.11 0.00 0.00 175.55 174.72 1uks n SER 90 N 4.90 -3.31 0.00 2.29 7.64 -1.26 -1.36 113.62 122.53 1uks n SER 90 Ca -0.11 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1uks n SER 90 Cb 0.44 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1uks n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uks n GLY 91 N -1.77 2.98 3.76 0.23 0.00 -1.26 -5.02 105.19 104.11 1uks n GLY 91 Ca -0.12 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 1uks n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uks s VAL 92 N -0.08 5.16 0.26 1.61 0.11 -0.46 -4.99 120.40 122.01 1uks s VAL 92 Ca 0.00 0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 59.57 1uks s VAL 92 Cb 0.00 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 31.02 1uks s VAL 92 CO 0.00 0.43 1.06 0.20 -3.33 0.00 0.00 175.10 173.46 1uks s ASN 93 N -0.03 7.37 0.01 3.54 0.01 -1.26 -0.05 114.94 124.52 1uks s ASN 93 Ca 0.23 2.18 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 1uks s ASN 93 Cb -0.15 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.88 1uks s ASN 93 CO 0.10 -0.07 -0.10 0.20 -1.51 0.00 0.00 177.10 175.73 1uks s ASN 94 N -0.92 1.12 0.38 -1.22 0.01 0.14 -4.64 114.94 109.80 1uks s ASN 94 Ca 0.44 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 52.38 1uks s ASN 94 Cb -0.30 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.22 1uks s ASN 94 CO 0.38 0.07 0.08 0.42 -1.51 0.00 0.00 177.10 176.54 1uks s THR 95 N -0.42 0.96 -0.16 1.60 -4.23 -0.59 -0.69 115.64 112.11 1uks s THR 95 Ca 0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 1uks s THR 95 Cb -0.05 -2.55 0.18 0.00 1.34 0.00 0.00 72.50 71.43 1uks s THR 95 CO -0.00 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.60 1uks n ALA 96 N -0.85 3.87 -0.11 3.99 0.00 -1.26 -4.59 120.51 121.56 1uks n ALA 96 Ca -0.06 -0.95 0.20 0.00 0.00 0.00 0.00 53.44 52.64 1uks n ALA 96 Cb 0.66 -1.17 0.62 0.00 0.00 0.00 0.00 19.45 19.56 1uks n ALA 96 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1uks h TYR 97 N 0.64 0.21 0.00 0.00 -0.00 -1.89 -0.10 116.97 115.83 1uks h TYR 97 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.93 1uks h TYR 97 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 36.73 38.03 1uks h TYR 97 CO 0.53 0.07 0.00 -2.39 -0.00 0.00 0.00 178.16 176.37 1uks n HIS 98 N -4.40 0.00 -0.98 0.10 1.44 -1.26 -4.54 115.22 105.58 1uks n HIS 98 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 1uks n HIS 98 Cb 0.66 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 30.37 1uks n HIS 98 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1uks n GLY 99 N 1.07 0.77 0.47 -1.39 0.00 -0.05 -4.45 105.19 101.61 1uks n GLY 99 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1uks n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uks n TYR 100 N -2.44 0.00 -3.17 1.61 4.01 -1.26 -4.48 117.16 111.42 1uks n TYR 100 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 1uks n TYR 100 Cb 0.00 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 1uks n TYR 100 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1uks n TRP 101 N -0.01 3.15 -1.77 -0.72 8.01 -1.26 -4.83 117.44 120.00 1uks n TRP 101 Ca 0.13 -3.48 -0.39 0.00 -1.31 0.00 0.00 57.50 52.44 1uks n TRP 101 Cb 0.42 -0.83 0.03 0.00 -2.01 0.00 0.00 31.31 28.91 1uks n TRP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1uks s ALA 102 N -2.84 3.08 0.00 6.99 0.00 -1.04 -1.50 121.76 126.45 1uks s ALA 102 Ca 0.38 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1uks s ALA 102 Cb 0.13 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1uks s ALA 102 CO 0.01 -1.29 0.00 2.89 0.00 0.00 0.00 175.76 177.37 1uks n ARG 103 N -0.53 2.14 -3.60 0.00 -4.01 0.00 -3.78 116.66 106.88 1uks n ARG 103 Ca 0.07 0.00 -0.24 0.00 -1.04 0.00 0.00 57.85 56.64 1uks n ARG 103 Cb 0.43 -0.73 -0.16 0.00 -3.04 0.00 0.00 32.46 28.96 1uks n ARG 103 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 1uks s ASP 104 N -1.70 2.07 0.00 2.89 3.68 -0.97 -1.03 116.67 121.60 1uks s ASP 104 Ca 0.00 -0.48 0.28 0.00 2.13 0.00 0.00 52.55 54.48 1uks s ASP 104 Cb 0.00 -0.13 1.67 0.00 -1.45 0.00 0.00 42.92 43.01 1uks s ASP 104 CO 0.00 -0.34 2.02 0.49 0.13 0.00 0.00 175.17 177.48 1uks n PHE 105 N 5.29 0.00 0.76 -5.34 3.01 -1.26 -2.44 117.46 117.47 1uks n PHE 105 Ca -0.06 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.48 1uks n PHE 105 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1uks n PHE 105 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1uks n LYS 106 N -0.99 1.60 -4.50 -1.08 4.76 -1.26 -4.88 118.16 111.81 1uks n LYS 106 Ca 0.21 -0.91 -0.24 0.00 -2.87 0.00 0.00 58.31 54.51 1uks n LYS 106 Cb 0.10 -1.31 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 1uks n LYS 106 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1uks s LYS 107 N -1.94 1.71 0.45 1.97 1.02 -1.16 -4.87 119.74 116.92 1uks s LYS 107 Ca 0.15 -1.90 -0.04 0.00 0.02 0.00 0.00 55.97 54.20 1uks s LYS 107 Cb 0.14 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 36.05 1uks s LYS 107 CO 0.41 0.03 0.73 0.95 -0.92 0.00 0.00 175.35 176.55 1uks s THR 108 N -2.87 4.96 -0.31 2.17 -4.23 -1.26 -0.90 115.64 113.19 1uks s THR 108 Ca 0.32 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.59 1uks s THR 108 Cb 0.05 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 70.03 1uks s THR 108 CO 0.15 -0.78 1.23 0.21 -0.54 0.00 0.00 174.62 174.89 1uks s ASN 109 N -4.08 6.75 0.38 3.99 3.84 -0.20 -3.42 114.94 122.20 1uks s ASN 109 Ca 0.46 1.13 0.28 0.00 0.21 0.00 0.00 52.86 54.93 1uks s ASN 109 Cb -0.10 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.30 1uks s ASN 109 CO 0.43 -1.03 1.83 1.55 -2.79 0.00 0.00 177.10 177.09 1uks h PRO 110 N 8.94 0.00 -0.02 0.43 0.13 -1.92 -1.93 132.00 137.62 1uks h PRO 110 Ca -0.24 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.81 1uks h PRO 110 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1uks h PRO 110 CO 1.04 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 178.47 1uks h ALA 111 N 2.13 1.40 0.16 -0.56 0.00 -1.92 -3.14 119.26 117.33 1uks h ALA 111 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.26 1uks h ALA 111 Cb 0.31 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1uks h ALA 111 CO 0.00 0.45 -1.64 1.88 0.00 0.00 0.00 179.25 179.94 1uks h TYR 112 N 0.04 0.63 0.00 0.00 0.05 -1.65 -3.43 116.97 112.61 1uks h TYR 112 Ca 0.00 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1uks h TYR 112 Cb 0.62 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.34 1uks h TYR 112 CO 0.00 1.64 0.00 0.41 -1.05 0.00 0.00 178.16 179.16 1uks n GLY 113 N 1.83 -2.79 3.95 3.88 0.00 -0.80 -1.49 105.19 109.77 1uks n GLY 113 Ca -0.25 -1.31 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1uks n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uks s THR 114 N -2.05 2.36 0.44 2.61 -4.23 -1.26 -3.91 115.64 109.60 1uks s THR 114 Ca 0.00 -0.40 0.14 0.00 -1.18 0.00 0.00 61.69 60.25 1uks s THR 114 Cb 0.00 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.21 1uks s THR 114 CO 0.00 0.00 2.00 -0.03 -0.54 0.00 0.00 174.62 176.05 1uks h MET 115 N -0.45 0.36 -0.39 3.99 4.05 -1.96 -0.25 114.93 120.28 1uks h MET 115 Ca -0.43 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 58.85 1uks h MET 115 Cb 1.30 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1uks h MET 115 CO 0.55 0.24 -0.24 0.37 0.23 0.00 0.00 176.91 178.06 1uks h GLN 116 N 0.37 0.79 -0.82 0.39 5.75 -1.99 -1.98 115.11 117.61 1uks h GLN 116 Ca 0.24 -0.33 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1uks h GLN 116 Cb 0.46 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 1uks h GLN 116 CO -0.06 0.95 0.35 -0.44 -2.65 0.00 0.00 178.83 176.97 1uks h ASP 117 N 0.68 1.11 -0.31 -0.69 3.32 -1.46 -0.06 116.42 119.01 1uks h ASP 117 Ca 0.09 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1uks h ASP 117 Cb 0.76 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1uks h ASP 117 CO 0.06 0.97 0.11 0.15 -1.72 0.00 0.00 179.24 178.81 1uks h PHE 118 N 1.19 0.50 -0.22 4.55 3.04 -0.89 -0.54 116.94 124.56 1uks h PHE 118 Ca 0.28 -0.05 0.05 0.00 3.98 0.00 0.00 57.97 62.22 1uks h PHE 118 Cb 0.19 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 1uks h PHE 118 CO 0.02 0.50 -0.07 0.87 -2.02 0.00 0.00 178.31 177.60 1uks h LYS 119 N 0.35 -0.03 -0.89 1.11 6.56 -1.17 -0.63 116.57 121.87 1uks h LYS 119 Ca 0.10 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.76 1uks h LYS 119 Cb 0.23 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.84 1uks h LYS 119 CO -0.00 -0.02 0.58 -0.91 -2.06 0.00 0.00 179.45 177.03 1uks h ASN 120 N -0.03 0.87 -0.45 0.86 2.35 -0.77 -0.29 115.58 118.12 1uks h ASN 120 Ca 0.11 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1uks h ASN 120 Cb 0.20 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1uks h ASN 120 CO -0.24 0.55 0.08 0.25 -1.65 0.00 0.00 177.43 176.42 1uks h LEU 121 N 0.99 0.71 -0.30 1.61 5.85 0.12 -0.93 115.31 123.35 1uks h LEU 121 Ca 0.39 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1uks h LEU 121 Cb 0.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1uks h LEU 121 CO -0.15 0.78 0.13 0.40 -0.34 0.00 0.00 178.44 179.27 1uks h ILE 122 N 0.61 1.17 -0.10 4.05 1.08 -0.31 -1.01 117.51 123.01 1uks h ILE 122 Ca 0.14 -0.50 -0.16 0.00 -0.39 0.00 0.00 64.86 63.95 1uks h ILE 122 Cb 0.37 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1uks h ILE 122 CO 0.01 0.18 -0.63 0.44 -0.69 0.00 0.00 178.15 177.46 1uks h ASP 123 N 0.35 0.40 0.85 1.72 3.32 -1.01 -1.25 116.42 120.80 1uks h ASP 123 Ca 0.10 -0.24 -0.19 0.00 0.02 0.00 0.00 57.03 56.72 1uks h ASP 123 Cb 0.15 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1uks h ASP 123 CO -0.01 0.93 -0.91 0.71 -1.72 0.00 0.00 179.24 178.24 1uks h THR 124 N 0.26 1.62 0.06 0.35 1.35 -1.02 -1.37 112.91 114.15 1uks h THR 124 Ca -0.01 -3.02 -0.00 0.00 -0.55 0.00 0.00 66.41 62.82 1uks h THR 124 Cb 1.16 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1uks h THR 124 CO 0.10 0.87 -0.03 0.00 -0.25 0.00 0.00 175.52 176.21 1uks h ALA 125 N 1.07 -0.08 -0.57 6.62 0.00 -1.14 -2.87 119.26 122.29 1uks h ALA 125 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1uks h ALA 125 Cb 1.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1uks h ALA 125 CO 0.12 -0.40 0.27 0.45 0.00 0.00 0.00 179.25 179.69 1uks h HIS 126 N -0.36 0.79 0.00 0.00 -0.00 -1.09 0.26 115.15 114.74 1uks h HIS 126 Ca -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1uks h HIS 126 Cb 0.32 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1uks h HIS 126 CO 0.02 0.58 -0.04 0.00 -0.00 0.00 0.00 177.93 178.49 1uks h ALA 127 N 1.50 1.06 -0.39 2.45 0.00 -1.21 -1.76 119.26 120.90 1uks h ALA 127 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1uks h ALA 127 Cb 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1uks h ALA 127 CO -0.03 0.05 0.03 0.72 0.00 0.00 0.00 179.25 180.02 1uks n HIS 128 N -3.22 1.38 -3.46 0.00 8.25 -0.18 -4.96 115.22 113.02 1uks n HIS 128 Ca -0.01 -0.94 -0.25 0.00 -0.26 0.00 0.00 57.72 56.26 1uks n HIS 128 Cb 0.24 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 30.96 1uks n HIS 128 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uks n ASN 129 N -0.28 -4.98 -4.44 0.41 3.02 -0.66 -4.99 115.26 103.34 1uks n ASN 129 Ca 0.26 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.97 1uks n ASN 129 Cb 1.03 -4.02 -0.13 0.00 -0.61 0.00 0.00 39.78 36.05 1uks n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1uks s ILE 130 N -3.15 3.70 0.45 2.41 1.01 -0.10 -4.77 121.20 120.76 1uks s ILE 130 Ca 0.47 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 1uks s ILE 130 Cb -0.23 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 1uks s ILE 130 CO 0.58 0.48 0.87 -0.54 0.00 0.00 0.00 174.94 176.33 1uks s LYS 131 N 0.63 3.87 -0.13 2.79 1.02 -0.50 -2.91 119.74 124.52 1uks s LYS 131 Ca -0.03 0.71 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1uks s LYS 131 Cb -0.15 -2.27 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1uks s LYS 131 CO 0.02 -0.14 -0.12 0.08 -0.92 0.00 0.00 175.35 174.28 1uks s VAL 132 N -2.47 1.34 -0.11 3.17 1.01 -1.26 -1.23 120.40 120.85 1uks s VAL 132 Ca 0.55 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1uks s VAL 132 Cb -0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1uks s VAL 132 CO 0.30 0.42 -0.04 -0.63 0.00 0.00 0.00 175.10 175.16 1uks s ILE 133 N 1.50 3.96 -0.01 2.22 1.01 -0.04 -0.69 121.20 129.15 1uks s ILE 133 Ca 0.03 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1uks s ILE 133 Cb -0.13 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1uks s ILE 133 CO -0.08 0.56 -0.19 0.27 0.00 0.00 0.00 174.94 175.50 1uks s ILE 134 N -0.39 2.67 0.59 2.92 -4.36 -0.81 -1.56 121.20 120.25 1uks s ILE 134 Ca 0.06 -1.01 -0.19 0.00 -0.26 0.00 0.00 60.65 59.25 1uks s ILE 134 Cb -0.12 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1uks s ILE 134 CO 0.02 0.49 1.25 -1.81 0.24 0.00 0.00 174.94 175.14 1uks s ASP 135 N -0.96 5.15 -0.13 4.36 -0.00 -0.95 -0.96 116.67 123.18 1uks s ASP 135 Ca 0.12 2.50 -0.06 0.00 -0.00 0.00 0.00 52.55 55.11 1uks s ASP 135 Cb -0.10 -2.61 0.06 0.00 -0.00 0.00 0.00 42.92 40.27 1uks s ASP 135 CO 0.02 -1.63 0.29 0.12 -0.00 0.00 0.00 175.17 173.97 1uks s PHE 136 N -1.49 -0.46 -0.62 4.23 2.19 -0.44 -4.34 117.98 117.05 1uks s PHE 136 Ca 0.77 1.01 0.05 0.00 0.33 0.00 0.00 56.93 59.09 1uks s PHE 136 Cb -0.34 0.07 0.20 0.00 -1.31 0.00 0.00 43.02 41.65 1uks s PHE 136 CO 0.37 -0.32 0.57 0.00 1.83 0.00 0.00 175.22 177.67 1uks n ALA 137 N 4.79 3.49 1.98 11.12 0.00 -1.26 -1.77 120.51 138.87 1uks n ALA 137 Ca -0.16 -4.35 0.01 0.00 0.00 0.00 0.00 53.44 48.94 1uks n ALA 137 Cb 0.52 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.08 1uks n ALA 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uks n PRO 138 N 1.62 0.99 0.11 0.00 -0.04 -1.26 -3.96 135.00 132.46 1uks n PRO 138 Ca 0.25 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.69 1uks n PRO 138 Cb 0.40 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.80 1uks n PRO 138 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1uks h ASN 139 N 0.00 0.00 -5.10 3.54 -1.24 -1.93 -3.44 115.58 107.41 1uks h ASN 139 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 1uks h ASN 139 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 1uks h ASN 139 CO 0.00 0.71 0.09 -1.38 -1.29 0.00 0.00 177.43 175.55 1uks s HIS 140 N -2.86 0.03 0.00 0.67 -3.43 -1.25 -1.21 115.29 107.24 1uks s HIS 140 Ca 0.03 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 1uks s HIS 140 Cb 0.09 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1uks s HIS 140 CO 0.78 -1.14 0.00 0.25 -2.00 0.00 0.00 174.74 172.63 1uks n THR 141 N -0.43 0.00 -4.14 -5.38 -2.24 -0.40 -4.72 114.28 96.98 1uks n THR 141 Ca -0.03 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1uks n THR 141 Cb 0.60 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1uks n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uks s SER 142 N -0.75 0.72 0.17 3.42 1.04 -1.25 -2.49 113.70 114.56 1uks s SER 142 Ca 0.00 -1.43 -0.33 0.00 0.48 0.00 0.00 55.95 54.67 1uks s SER 142 Cb 0.00 0.56 -0.15 0.00 0.10 0.00 0.00 66.02 66.53 1uks s SER 142 CO 0.00 -1.11 1.32 -2.65 0.98 0.00 0.00 173.24 171.78 1uks n PRO 143 N -0.47 1.53 -3.67 4.02 -0.02 -1.26 -1.73 135.00 133.39 1uks n PRO 143 Ca 0.02 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 1uks n PRO 143 Cb 0.63 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 1uks n PRO 143 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uks s ALA 144 N 0.12 -1.16 -0.10 3.55 0.00 -0.22 -3.38 121.76 120.58 1uks s ALA 144 Ca 0.75 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.39 1uks s ALA 144 Cb -0.79 0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1uks s ALA 144 CO 0.48 -0.31 -0.05 0.45 0.00 0.00 0.00 175.76 176.33 1uks s SER 145 N -1.31 1.94 0.35 0.00 0.15 -1.26 -4.77 113.70 108.79 1uks s SER 145 Ca -0.12 -0.23 0.17 0.00 0.70 0.00 0.00 55.95 56.47 1uks s SER 145 Cb -0.03 -0.70 0.58 0.00 -1.71 0.00 0.00 66.02 64.16 1uks s SER 145 CO 0.06 -0.14 1.69 0.77 1.20 0.00 0.00 173.24 176.82 1uks h SER 146 N 8.18 0.00 -0.04 5.45 4.64 -1.96 -3.08 113.55 126.74 1uks h SER 146 Ca -0.27 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.92 1uks h SER 146 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1uks h SER 146 CO 0.36 0.43 -0.41 0.44 -0.87 0.00 0.00 176.83 176.78 1uks h ASP 147 N 0.00 0.59 -3.98 4.97 3.45 -1.95 -3.38 116.42 116.13 1uks h ASP 147 Ca -0.00 -0.27 -0.66 0.00 0.43 0.00 0.00 57.03 56.53 1uks h ASP 147 Cb 0.97 -0.17 -0.39 0.00 -0.56 0.00 0.00 39.33 39.19 1uks h ASP 147 CO 0.06 0.94 -0.62 -0.62 -1.57 0.00 0.00 179.24 177.42 1uks s ASP 148 N -6.86 4.72 0.20 6.45 2.15 -1.16 -4.96 116.67 117.20 1uks s ASP 148 Ca -0.07 -2.55 0.16 0.00 0.43 0.00 0.00 52.55 50.52 1uks s ASP 148 Cb 0.12 -1.69 0.81 0.00 -0.30 0.00 0.00 42.92 41.86 1uks s ASP 148 CO 0.82 -0.34 1.50 -0.81 -0.17 0.00 0.00 175.17 176.17 1uks n PRO 149 N 3.77 0.11 0.01 4.34 -0.04 -1.24 -1.80 135.00 140.15 1uks n PRO 149 Ca 0.04 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1uks n PRO 149 Cb 0.38 -1.79 0.29 0.00 -0.04 0.00 0.00 33.50 32.34 1uks n PRO 149 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1uks n SER 150 N -2.00 0.46 -4.68 3.54 3.41 -1.26 -4.44 113.62 108.63 1uks n SER 150 Ca 0.00 -0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 1uks n SER 150 Cb 0.08 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1uks n SER 150 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1uks s PHE 151 N -3.02 2.66 0.00 7.33 2.19 -0.74 -4.82 117.98 121.57 1uks s PHE 151 Ca 0.11 0.65 0.00 0.00 0.33 0.00 0.00 56.93 58.01 1uks s PHE 151 Cb 0.17 -3.75 0.00 0.00 -1.31 0.00 0.00 43.02 38.13 1uks s PHE 151 CO 0.68 -2.89 0.00 0.00 1.83 0.00 0.00 175.22 174.84 1uks n ALA 152 N 5.67 0.00 -1.37 11.12 0.00 -1.26 -1.70 120.51 132.98 1uks n ALA 152 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.62 1uks n ALA 152 Cb 0.43 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.08 1uks n ALA 152 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uks n GLU 153 N 14.00 1.77 -3.44 0.00 1.02 -1.26 -4.97 120.64 127.75 1uks n GLU 153 Ca 0.00 -3.06 -0.25 0.00 -0.02 0.00 0.00 57.16 53.83 1uks n GLU 153 Cb 0.00 -1.68 0.01 0.00 -0.02 0.00 0.00 31.44 29.74 1uks n GLU 153 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1uks n ASN 154 N -1.11 -4.28 -1.44 1.62 4.05 -0.69 -1.39 115.26 112.01 1uks n ASN 154 Ca 0.23 -0.47 -0.19 0.00 0.45 0.00 0.00 54.58 54.61 1uks n ASN 154 Cb 0.81 -3.50 -0.08 0.00 1.23 0.00 0.00 39.78 38.24 1uks n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1uks n GLY 155 N -1.33 1.81 3.74 8.20 0.00 -1.22 -1.34 105.19 115.06 1uks n GLY 155 Ca -0.02 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1uks n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uks s ARG 156 N -3.59 4.15 -0.18 1.61 0.52 -0.48 -4.59 118.95 116.39 1uks s ARG 156 Ca 0.00 2.52 -0.06 0.00 -0.52 0.00 0.00 55.73 57.67 1uks s ARG 156 Cb 0.00 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1uks s ARG 156 CO 0.00 -0.62 0.03 -1.17 0.02 0.00 0.00 175.30 173.56 1uks s LEU 157 N -0.01 3.58 0.24 2.53 2.96 -0.29 -4.57 118.68 123.13 1uks s LEU 157 Ca 0.65 -0.01 0.11 0.00 -0.22 0.00 0.00 54.13 54.66 1uks s LEU 157 Cb -0.47 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 1uks s LEU 157 CO 0.43 0.16 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.17 1uks s TYR 158 N 0.44 2.47 -0.31 5.38 2.02 -0.20 -0.19 117.35 126.97 1uks s TYR 158 Ca 0.01 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1uks s TYR 158 Cb -0.13 -1.13 0.09 0.00 -0.40 0.00 0.00 41.96 40.39 1uks s TYR 158 CO 0.01 0.62 0.04 0.34 -1.57 0.00 0.00 175.55 175.00 1uks s ASP 159 N -3.29 4.34 -1.64 2.29 2.15 0.71 -4.31 116.67 116.92 1uks s ASP 159 Ca 0.28 -1.78 -0.15 0.00 0.43 0.00 0.00 52.55 51.33 1uks s ASP 159 Cb -0.07 -1.28 0.12 0.00 -0.30 0.00 0.00 42.92 41.40 1uks s ASP 159 CO 0.16 -0.36 0.75 -3.20 -0.17 0.00 0.00 175.17 172.34 1uks n ASN 160 N 4.54 -2.97 0.00 -0.34 5.15 -1.26 -1.34 115.26 119.04 1uks n ASN 160 Ca -0.01 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1uks n ASN 160 Cb 0.42 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.74 1uks n ASN 160 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uks n GLY 161 N -1.54 2.54 3.66 8.20 0.00 -1.26 -5.06 105.19 111.73 1uks n GLY 161 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1uks n GLY 161 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uks s ASN 162 N -0.29 6.67 0.02 1.61 2.47 -0.45 -5.01 114.94 119.96 1uks s ASN 162 Ca 0.00 0.82 -0.30 0.00 0.42 0.00 0.00 52.86 53.80 1uks s ASN 162 Cb 0.00 -2.34 -0.07 0.00 -1.45 0.00 0.00 41.25 37.39 1uks s ASN 162 CO 0.00 -0.24 1.63 -0.22 -3.72 0.00 0.00 177.10 174.55 1uks s LEU 163 N 1.76 4.35 -0.14 3.21 0.20 -1.26 -0.21 118.68 126.58 1uks s LEU 163 Ca 0.28 2.35 -0.13 0.00 0.69 0.00 0.00 54.13 57.32 1uks s LEU 163 Cb -0.16 -3.55 -0.24 0.00 -0.43 0.00 0.00 46.19 41.81 1uks s LEU 163 CO 0.11 -0.88 0.37 -0.07 -0.29 0.00 0.00 176.35 175.58 1uks h LEU 164 N 9.20 0.29 0.00 -0.68 3.38 -0.90 -3.47 115.31 123.13 1uks h LEU 164 Ca -0.41 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.76 1uks h LEU 164 Cb 1.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1uks h LEU 164 CO 0.93 1.70 0.00 0.61 0.09 0.00 0.00 178.44 181.78 1uks n GLY 165 N 1.77 1.22 3.75 0.83 0.00 -1.05 -5.00 105.19 106.71 1uks n GLY 165 Ca -0.30 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1uks n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uks s GLY 166 N 0.00 2.82 0.09 -0.02 0.00 -1.26 -1.14 107.32 107.81 1uks s GLY 166 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.73 1uks s GLY 166 CO 0.00 -2.14 1.18 -1.82 0.00 0.00 0.00 173.10 170.32 1uks h TYR 167 N 1.37 0.65 -3.62 1.90 3.20 -1.47 -3.36 116.97 115.64 1uks h TYR 167 Ca -0.43 -0.42 -0.51 0.00 3.14 0.00 0.00 58.73 60.50 1uks h TYR 167 Cb 1.30 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 1uks h TYR 167 CO 1.27 1.29 0.26 0.99 -1.64 0.00 0.00 178.16 180.33 1uks s THR 168 N -2.91 4.27 -1.32 1.81 2.01 -1.26 -3.99 115.64 114.25 1uks s THR 168 Ca -0.06 1.89 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 1uks s THR 168 Cb 0.07 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.35 1uks s THR 168 CO 0.89 0.49 0.64 -3.20 -0.69 0.00 0.00 174.62 172.75 1uks n ASN 169 N 1.71 -1.11 -4.50 3.53 5.15 -1.26 -4.89 115.26 113.90 1uks n ASN 169 Ca -0.03 -0.87 -0.44 0.00 -0.60 0.00 0.00 54.58 52.64 1uks n ASN 169 Cb 0.48 -3.83 0.00 0.00 -0.53 0.00 0.00 39.78 35.90 1uks n ASN 169 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1uks n ASP 170 N -3.03 5.13 0.23 1.20 4.64 -1.26 -4.76 116.55 118.71 1uks n ASP 170 Ca -0.30 -2.96 0.13 0.00 -1.38 0.00 0.00 54.79 50.28 1uks n ASP 170 Cb 0.68 -1.63 0.41 0.00 -1.04 0.00 0.00 41.12 39.54 1uks n ASP 170 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1uks h THR 171 N 4.93 0.20 0.00 5.18 1.35 -1.90 -2.71 112.91 119.97 1uks h THR 171 Ca 0.36 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1uks h THR 171 Cb 0.87 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1uks h THR 171 CO 1.32 0.10 -0.01 0.00 -0.25 0.00 0.00 175.52 176.67 1uks n GLN 172 N -3.17 0.23 -3.65 4.72 6.02 -1.26 -4.96 117.38 115.31 1uks n GLN 172 Ca 0.02 0.19 -0.20 0.00 -0.01 0.00 0.00 57.00 56.99 1uks n GLN 172 Cb 0.45 -1.77 0.04 0.00 1.02 0.00 0.00 30.24 29.98 1uks n GLN 172 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uks n ASN 173 N -2.18 -1.32 0.26 1.08 3.02 -1.02 -4.90 115.26 110.21 1uks n ASN 173 Ca 0.06 -0.78 0.15 0.00 -0.03 0.00 0.00 54.58 53.98 1uks n ASN 173 Cb 0.42 -4.27 0.55 0.00 -0.61 0.00 0.00 39.78 35.87 1uks n ASN 173 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uks h LEU 174 N -1.87 0.00 -9.30 3.41 3.38 -1.91 -3.44 115.31 105.57 1uks h LEU 174 Ca -0.61 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 56.81 1uks h LEU 174 Cb 1.35 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.97 1uks h LEU 174 CO 0.55 0.05 -0.66 -0.36 0.09 0.00 0.00 178.44 178.11 1uks s PHE 175 N -3.58 2.16 0.15 1.13 0.40 -1.26 -0.94 117.98 116.05 1uks s PHE 175 Ca 0.02 -0.65 -0.24 0.00 -0.60 0.00 0.00 56.93 55.46 1uks s PHE 175 Cb 0.08 -1.29 -0.08 0.00 0.51 0.00 0.00 43.02 42.25 1uks s PHE 175 CO 0.58 0.38 0.74 -1.01 0.70 0.00 0.00 175.22 176.61 1uks s HIS 176 N -2.87 3.89 -0.42 0.36 3.76 -0.07 -4.63 115.29 115.31 1uks s HIS 176 Ca 0.32 1.57 0.10 0.00 -0.15 0.00 0.00 55.06 56.90 1uks s HIS 176 Cb 0.04 -2.72 0.35 0.00 1.11 0.00 0.00 32.58 31.37 1uks s HIS 176 CO 0.14 0.53 0.79 0.72 -0.85 0.00 0.00 174.74 176.08 1uks n HIS 177 N 1.60 1.20 -0.08 1.40 8.25 -1.26 -4.68 115.22 121.65 1uks n HIS 177 Ca -0.06 -3.83 0.03 0.00 -0.26 0.00 0.00 57.72 53.60 1uks n HIS 177 Cb 0.49 -0.43 0.09 0.00 1.12 0.00 0.00 29.99 31.25 1uks n HIS 177 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1uks n TYR 178 N 0.13 0.25 -0.73 4.41 4.01 -1.26 -5.11 117.16 118.86 1uks n TYR 178 Ca 0.26 -0.46 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1uks n TYR 178 Cb 0.60 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1uks n TYR 178 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uks n GLY 179 N 0.12 -2.81 3.89 2.72 0.00 -1.26 -4.94 105.19 102.91 1uks n GLY 179 Ca 0.07 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1uks n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uks s GLY 180 N -0.76 2.25 0.41 -0.02 0.00 -1.26 -1.43 107.32 106.50 1uks s GLY 180 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 44.72 43.97 1uks s GLY 180 CO 0.00 -0.42 1.05 -1.08 0.00 0.00 0.00 173.10 172.65 1uks s THR 181 N -1.67 3.73 -1.68 0.90 -1.32 0.08 -4.72 115.64 110.95 1uks s THR 181 Ca 0.42 1.30 0.16 0.00 -1.21 0.00 0.00 61.69 62.36 1uks s THR 181 Cb -0.12 -3.66 0.32 0.00 -1.51 0.00 0.00 72.50 67.53 1uks s THR 181 CO 0.24 -0.01 1.23 -0.90 -2.21 0.00 0.00 174.62 172.96 1uks n ASP 182 N -0.14 2.95 -1.53 8.08 5.75 -1.26 -4.93 116.55 125.47 1uks n ASP 182 Ca 0.05 -1.87 -0.18 0.00 -0.01 0.00 0.00 54.79 52.78 1uks n ASP 182 Cb 0.50 -0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.31 1uks n ASP 182 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uks n LEU 183 N 0.98 -1.32 -0.01 -2.12 4.77 -1.26 -4.87 117.00 113.16 1uks n LEU 183 Ca 0.14 0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1uks n LEU 183 Cb 0.47 -2.56 0.21 0.00 -2.33 0.00 0.00 43.42 39.21 1uks n LEU 183 CO 0.11 -0.95 0.79 0.77 -1.33 0.00 0.00 177.39 176.79 1uks h SER 184 N 0.00 0.54 -4.82 -1.43 4.64 -1.94 -3.45 113.55 107.09 1uks h SER 184 Ca -0.37 -0.16 -0.25 0.00 -0.47 0.00 0.00 61.79 60.54 1uks h SER 184 Cb 1.18 -0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 62.98 1uks h SER 184 CO 0.54 0.72 -0.66 0.42 -0.87 0.00 0.00 176.83 176.99 1uks s THR 185 N -4.67 0.48 0.13 2.95 -4.23 -1.26 -5.03 115.64 104.01 1uks s THR 185 Ca -0.07 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 1uks s THR 185 Cb 0.14 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1uks s THR 185 CO 0.79 -0.48 1.52 0.40 -0.54 0.00 0.00 174.62 176.32 1uks h ILE 186 N 2.76 1.28 -0.43 2.99 2.04 -1.94 -1.34 117.51 122.86 1uks h ILE 186 Ca -0.36 -1.23 0.09 0.00 1.00 0.00 0.00 64.86 64.36 1uks h ILE 186 Cb 1.20 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 38.44 1uks h ILE 186 CO 0.62 0.41 -0.13 -0.08 0.00 0.00 0.00 178.15 178.97 1uks h GLU 187 N 0.60 -0.03 -0.89 2.37 4.81 -1.96 -0.70 114.58 118.77 1uks h GLU 187 Ca 0.10 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1uks h GLU 187 Cb 0.66 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1uks h GLU 187 CO 0.04 -0.02 0.59 -0.97 -0.73 0.00 0.00 179.01 177.92 1uks h ASN 188 N -0.03 1.01 1.01 1.04 -0.73 -1.88 -2.25 115.58 113.74 1uks h ASN 188 Ca 0.21 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1uks h ASN 188 Cb 0.35 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1uks h ASN 188 CO -0.46 0.72 0.00 1.23 -0.37 0.00 0.00 177.43 178.55 1uks h GLY 189 N 1.18 0.00 0.21 1.57 0.00 -0.19 -2.70 103.07 103.14 1uks h GLY 189 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 1uks h GLY 189 CO -0.08 0.00 -0.82 -2.22 0.00 0.00 0.00 176.54 173.42 1uks h ILE 190 N 0.00 1.30 0.00 2.60 2.04 -0.58 -3.42 117.51 119.46 1uks h ILE 190 Ca 0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1uks h ILE 190 Cb 0.50 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1uks h ILE 190 CO 0.00 0.55 -1.21 -1.22 0.00 0.00 0.00 178.15 176.27 1uks n TYR 191 N -4.34 0.02 -3.90 1.37 4.01 -1.05 -4.71 117.16 108.57 1uks n TYR 191 Ca -0.21 0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.28 1uks n TYR 191 Cb 0.68 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1uks n TYR 191 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1uks s LYS 192 N -3.13 3.45 0.33 -0.72 1.02 -1.02 -4.55 119.74 115.12 1uks s LYS 192 Ca 0.04 -0.59 -0.23 0.00 0.02 0.00 0.00 55.97 55.21 1uks s LYS 192 Cb 0.15 -2.92 -0.10 0.00 -0.52 0.00 0.00 37.83 34.45 1uks s LYS 192 CO 0.87 0.47 0.90 -0.80 -0.92 0.00 0.00 175.35 175.87 1uks s ASN 193 N -3.41 7.17 -0.21 2.83 0.01 -0.52 -4.51 114.94 116.30 1uks s ASN 193 Ca 0.35 1.70 -0.08 0.00 -0.71 0.00 0.00 52.86 54.12 1uks s ASN 193 Cb -0.11 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1uks s ASN 193 CO 0.29 -0.12 0.10 -0.22 -1.51 0.00 0.00 177.10 175.63 1uks s LEU 194 N -2.34 3.85 0.00 0.60 2.96 -1.26 -0.74 118.68 121.74 1uks s LEU 194 Ca 0.52 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1uks s LEU 194 Cb -0.16 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1uks s LEU 194 CO 0.21 0.10 0.00 -1.22 -1.32 0.00 0.00 176.35 174.12 1uks n TYR 195 N 4.02 0.00 -1.11 5.38 4.01 -1.26 -2.16 117.16 126.04 1uks n TYR 195 Ca -0.16 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.68 1uks n TYR 195 Cb 0.52 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.69 1uks n TYR 195 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1uks n ASP 196 N 7.56 2.29 -4.74 7.72 5.75 -1.26 -4.94 116.55 128.93 1uks n ASP 196 Ca 0.00 -3.11 -0.41 0.00 -0.01 0.00 0.00 54.79 51.26 1uks n ASP 196 Cb 0.00 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 39.61 1uks n ASP 196 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1uks s LEU 197 N -2.85 4.53 -0.51 -2.12 1.43 -0.92 -1.06 118.68 117.19 1uks s LEU 197 Ca 0.32 1.79 -0.27 0.00 -1.03 0.00 0.00 54.13 54.94 1uks s LEU 197 Cb 0.28 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1uks s LEU 197 CO 0.02 -0.00 1.76 0.00 0.23 0.00 0.00 176.35 178.37 1uks s ALA 198 N -0.30 2.51 0.05 4.21 0.00 -0.71 -4.47 121.76 123.05 1uks s ALA 198 Ca 0.45 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 1uks s ALA 198 Cb -0.24 -4.17 -0.07 0.00 0.00 0.00 0.00 23.12 18.65 1uks s ALA 198 CO 0.30 -3.30 1.42 -0.51 0.00 0.00 0.00 175.76 173.66 1uks s ASP 199 N 6.80 6.82 0.37 0.00 -0.00 -1.26 -1.27 116.67 128.13 1uks s ASP 199 Ca 0.69 2.22 -0.25 0.00 -0.00 0.00 0.00 52.55 55.22 1uks s ASP 199 Cb -0.15 -2.57 -0.09 0.00 -0.00 0.00 0.00 42.92 40.10 1uks s ASP 199 CO 0.26 -0.71 1.01 -0.76 -0.00 0.00 0.00 175.17 174.97 1uks s LEU 200 N 1.95 4.20 -0.50 1.23 1.43 -0.35 -0.90 118.68 125.75 1uks s LEU 200 Ca 0.65 1.94 -0.15 0.00 -1.03 0.00 0.00 54.13 55.54 1uks s LEU 200 Cb -0.34 -4.15 0.10 0.00 0.03 0.00 0.00 46.19 41.83 1uks s LEU 200 CO 0.28 -0.33 0.43 0.21 0.23 0.00 0.00 176.35 177.18 1uks s ASN 201 N -1.62 6.13 0.00 2.29 2.47 -0.11 -4.60 114.94 119.50 1uks s ASN 201 Ca 0.55 -1.55 0.27 0.00 0.42 0.00 0.00 52.86 52.55 1uks s ASN 201 Cb -0.20 -2.18 1.27 0.00 -1.45 0.00 0.00 41.25 38.69 1uks s ASN 201 CO 0.25 -0.73 1.90 1.41 -3.72 0.00 0.00 177.10 176.21 1uks n HIS 202 N 5.20 0.00 1.42 0.43 8.25 -1.26 -1.81 115.22 127.46 1uks n HIS 202 Ca -0.13 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.47 1uks n HIS 202 Cb 0.42 -0.39 0.57 0.00 1.12 0.00 0.00 29.99 31.71 1uks n HIS 202 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1uks n ASN 203 N -1.39 0.70 -4.66 0.41 5.15 -1.26 -4.42 115.26 109.78 1uks n ASN 203 Ca 0.10 -0.80 -0.41 0.00 -0.60 0.00 0.00 54.58 52.87 1uks n ASN 203 Cb 0.27 -0.01 -0.04 0.00 -0.53 0.00 0.00 39.78 39.46 1uks n ASN 203 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1uks s ASN 204 N -2.38 6.88 0.36 1.20 3.84 -0.75 -4.83 114.94 119.26 1uks s ASN 204 Ca 0.30 1.08 0.12 0.00 0.21 0.00 0.00 52.86 54.57 1uks s ASN 204 Cb 0.20 -2.43 0.91 0.00 -0.55 0.00 0.00 41.25 39.38 1uks s ASN 204 CO 0.46 -0.39 1.83 0.28 -2.79 0.00 0.00 177.10 176.49 1uks h SER 205 N 7.41 0.60 -0.54 -4.21 0.02 -1.88 -0.95 113.55 114.00 1uks h SER 205 Ca -0.29 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 1uks h SER 205 Cb 1.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1uks h SER 205 CO 0.83 0.24 -0.00 0.28 -1.14 0.00 0.00 176.83 177.03 1uks h SER 206 N 0.60 0.94 -0.27 3.07 0.02 -1.94 -1.50 113.55 114.46 1uks h SER 206 Ca 0.51 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1uks h SER 206 Cb 1.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1uks h SER 206 CO -0.26 1.02 -0.21 0.58 -1.14 0.00 0.00 176.83 176.82 1uks h VAL 207 N 0.83 1.31 0.19 2.27 2.07 -1.58 -1.62 116.25 119.71 1uks h VAL 207 Ca 0.15 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1uks h VAL 207 Cb 0.54 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1uks h VAL 207 CO 0.03 0.43 -0.38 -0.78 0.02 0.00 0.00 177.57 176.88 1uks h ASP 208 N 0.34 -1.09 -0.69 0.57 1.82 -1.11 -1.60 116.42 114.66 1uks h ASP 208 Ca 0.05 0.12 -0.07 0.00 -0.39 0.00 0.00 57.03 56.74 1uks h ASP 208 Cb 0.75 0.40 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 1uks h ASP 208 CO 0.05 -0.48 0.16 0.58 -1.61 0.00 0.00 179.24 177.95 1uks h VAL 209 N -0.66 1.26 -0.24 2.25 2.07 -1.28 -2.26 116.25 117.39 1uks h VAL 209 Ca 0.01 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1uks h VAL 209 Cb 0.66 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1uks h VAL 209 CO -0.18 0.37 0.16 0.22 0.02 0.00 0.00 177.57 178.16 1uks h TYR 210 N 1.03 0.29 -0.31 1.57 3.20 -1.13 0.15 116.97 121.77 1uks h TYR 210 Ca 0.21 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 1uks h TYR 210 Cb 0.38 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1uks h TYR 210 CO 0.03 0.18 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.51 1uks h LEU 211 N 0.32 0.54 -0.28 2.82 3.38 -1.21 0.33 115.31 121.22 1uks h LEU 211 Ca 0.09 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 1uks h LEU 211 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1uks h LEU 211 CO -0.02 0.71 -0.63 0.11 0.09 0.00 0.00 178.44 178.70 1uks h LYS 212 N 0.50 0.81 -0.69 1.13 1.57 -1.15 -1.88 116.57 116.86 1uks h LYS 212 Ca 0.09 -0.56 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1uks h LYS 212 Cb 0.55 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1uks h LYS 212 CO 0.04 1.19 0.23 -0.44 -0.57 0.00 0.00 179.45 179.89 1uks h ASP 213 N 0.60 0.98 -0.36 0.86 3.45 -0.51 -2.74 116.42 118.69 1uks h ASP 213 Ca -0.01 -0.17 -0.14 0.00 0.43 0.00 0.00 57.03 57.14 1uks h ASP 213 Cb 1.24 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 1uks h ASP 213 CO 0.13 0.90 -0.32 0.00 -1.57 0.00 0.00 179.24 178.39 1uks h ALA 214 N 1.23 0.53 -0.53 3.45 0.00 -0.76 -2.40 119.26 120.78 1uks h ALA 214 Ca 0.23 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1uks h ALA 214 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1uks h ALA 214 CO -0.01 0.58 0.04 0.97 0.00 0.00 0.00 179.25 180.83 1uks h ILE 215 N 0.65 1.24 -0.26 0.00 6.09 -1.28 -2.04 117.51 121.92 1uks h ILE 215 Ca 0.06 -0.98 -0.05 0.00 -1.37 0.00 0.00 64.86 62.52 1uks h ILE 215 Cb 0.90 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 1uks h ILE 215 CO 0.08 0.35 -0.06 0.11 -3.07 0.00 0.00 178.15 175.57 1uks h LYS 216 N 0.81 0.41 -0.25 2.19 1.57 -1.43 -0.97 116.57 118.90 1uks h LYS 216 Ca 0.16 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1uks h LYS 216 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1uks h LYS 216 CO 0.01 0.49 0.14 1.98 -0.57 0.00 0.00 179.45 181.51 1uks h MET 217 N 0.39 0.34 -0.45 3.15 4.05 -0.85 0.45 114.93 122.01 1uks h MET 217 Ca 0.08 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 1uks h MET 217 Cb 0.36 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1uks h MET 217 CO 0.02 0.28 -0.07 -1.49 0.23 0.00 0.00 176.91 175.87 1uks h TRP 218 N 0.30 0.84 -0.65 1.39 4.06 -1.06 -2.01 115.95 118.82 1uks h TRP 218 Ca 0.09 -0.14 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1uks h TRP 218 Cb 0.03 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 1uks h TRP 218 CO -0.04 0.82 0.37 -0.07 -3.56 0.00 0.00 178.44 175.96 1uks h LEU 219 N 0.71 0.80 -2.14 -4.49 3.38 -0.92 -1.66 115.31 110.99 1uks h LEU 219 Ca 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1uks h LEU 219 Cb 0.54 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uks h LEU 219 CO 0.03 0.65 -0.07 0.44 0.09 0.00 0.00 178.44 179.57 1uks h ASP 220 N 0.88 0.00 0.57 -0.43 3.45 -0.51 -1.41 116.42 118.98 1uks h ASP 220 Ca 0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.69 1uks h ASP 220 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1uks h ASP 220 CO -0.04 0.07 0.00 0.18 -1.57 0.00 0.00 179.24 177.88 1uks n LEU 221 N -3.74 0.00 0.00 1.55 4.32 -0.63 -4.90 117.00 113.60 1uks n LEU 221 Ca -0.02 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1uks n LEU 221 Cb 0.17 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1uks n LEU 221 CO 0.29 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1uks n GLY 222 N 0.93 1.07 3.77 -0.72 0.00 -0.53 -4.93 105.19 104.79 1uks n GLY 222 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1uks n GLY 222 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uks s VAL 223 N -2.00 3.15 -0.55 1.61 -7.23 -1.21 -4.90 120.40 109.27 1uks s VAL 223 Ca 0.00 0.58 0.13 0.00 -1.81 0.00 0.00 61.98 60.88 1uks s VAL 223 Cb 0.00 -3.12 -0.14 0.00 0.56 0.00 0.00 36.38 33.67 1uks s VAL 223 CO 0.00 -0.29 0.52 0.47 -0.31 0.00 0.00 175.10 175.49 1uks n ASP 224 N -2.15 0.72 -3.63 4.85 8.00 0.13 -4.87 116.55 119.60 1uks n ASP 224 Ca 0.11 -0.73 -0.08 0.00 0.71 0.00 0.00 54.79 54.80 1uks n ASP 224 Cb 0.52 1.05 -0.02 0.00 -0.02 0.00 0.00 41.12 42.65 1uks n ASP 224 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1uks s GLY 225 N -2.32 -0.36 -0.02 0.44 0.00 -1.05 -3.52 107.32 100.49 1uks s GLY 225 Ca 0.04 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1uks s GLY 225 CO 0.53 0.09 0.01 -0.42 0.00 0.00 0.00 173.10 173.31 1uks s ILE 226 N -3.58 0.03 -0.28 0.90 1.01 -0.71 -1.92 121.20 116.64 1uks s ILE 226 Ca 0.07 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 1uks s ILE 226 Cb -0.03 -0.12 0.02 0.00 0.01 0.00 0.00 42.46 42.34 1uks s ILE 226 CO -0.03 0.09 0.04 -0.60 0.00 0.00 0.00 174.94 174.43 1uks s ARG 227 N 0.81 2.98 -0.17 2.79 3.00 -0.13 -1.72 118.95 126.51 1uks s ARG 227 Ca -0.07 -0.91 -0.09 0.00 -1.00 0.00 0.00 55.73 53.66 1uks s ARG 227 Cb -0.10 -3.25 -0.05 0.00 0.00 0.00 0.00 34.95 31.55 1uks s ARG 227 CO -0.02 -0.44 0.13 0.54 0.00 0.00 0.00 175.30 175.51 1uks s VAL 228 N 1.44 5.39 0.37 7.11 0.11 0.15 -1.33 120.40 133.64 1uks s VAL 228 Ca 0.01 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 1uks s VAL 228 Cb -0.17 -3.42 -0.10 0.00 -1.53 0.00 0.00 36.38 31.16 1uks s VAL 228 CO 0.00 0.50 0.99 -0.62 -3.33 0.00 0.00 175.10 172.64 1uks s ASP 229 N -0.06 7.05 -1.45 3.54 2.15 -0.73 -2.35 116.67 124.82 1uks s ASP 229 Ca 0.10 1.89 -0.06 0.00 0.43 0.00 0.00 52.55 54.91 1uks s ASP 229 Cb -0.11 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1uks s ASP 229 CO -0.00 -0.28 0.73 0.00 -0.17 0.00 0.00 175.17 175.44 1uks n ALA 230 N 0.12 -1.70 0.32 3.66 0.00 -1.26 -4.71 120.51 116.93 1uks n ALA 230 Ca 0.04 -0.06 0.21 0.00 0.00 0.00 0.00 53.44 53.62 1uks n ALA 230 Cb 0.50 -2.78 1.02 0.00 0.00 0.00 0.00 19.45 18.20 1uks n ALA 230 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1uks h VAL 231 N -1.89 0.02 -0.08 0.00 -1.51 -1.75 -0.09 116.25 110.95 1uks h VAL 231 Ca -0.60 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 1uks h VAL 231 Cb 1.37 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1uks h VAL 231 CO 0.64 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 179.27 1uks n LYS 232 N -3.10 1.44 -0.30 5.19 2.85 -1.26 -3.68 118.16 119.30 1uks n LYS 232 Ca -0.02 -0.66 0.08 0.00 -1.05 0.00 0.00 58.31 56.66 1uks n LYS 232 Cb 0.16 -1.38 0.21 0.00 -0.65 0.00 0.00 35.03 33.36 1uks n LYS 232 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1uks n HIS 233 N -0.13 0.62 -4.14 5.58 8.25 -0.05 -4.54 115.22 120.81 1uks n HIS 233 Ca 0.16 -0.84 -0.17 0.00 -0.26 0.00 0.00 57.72 56.62 1uks n HIS 233 Cb 0.24 -0.23 -0.12 0.00 1.12 0.00 0.00 29.99 31.00 1uks n HIS 233 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1uks s MET 234 N -2.52 0.75 0.24 -0.41 -1.94 -1.24 -4.38 119.30 109.80 1uks s MET 234 Ca 0.35 -0.92 -0.31 0.00 -1.71 0.00 0.00 55.69 53.10 1uks s MET 234 Cb 0.28 -0.68 -0.12 0.00 2.01 0.00 0.00 34.83 36.32 1uks s MET 234 CO 0.08 0.14 1.65 -2.30 -0.01 0.00 0.00 175.02 174.58 1uks n PRO 235 N 1.28 2.65 -0.22 2.03 -0.02 -1.26 -4.91 135.00 134.56 1uks n PRO 235 Ca -0.21 0.95 -0.07 0.00 -2.02 0.00 0.00 63.50 62.14 1uks n PRO 235 Cb 0.54 -2.76 0.06 0.00 -0.02 0.00 0.00 33.50 31.33 1uks n PRO 235 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1uks h PHE 236 N 5.80 1.13 -0.31 6.00 0.04 -1.90 -1.14 116.94 126.57 1uks h PHE 236 Ca -0.45 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.12 1uks h PHE 236 Cb 1.22 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 1uks h PHE 236 CO 0.61 0.96 -0.00 0.78 -0.60 0.00 0.00 178.31 180.06 1uks h GLY 237 N 1.03 0.50 0.91 -1.45 0.00 -1.90 -0.54 103.07 101.63 1uks h GLY 237 Ca 0.19 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1uks h GLY 237 CO 0.02 0.27 -0.41 -0.25 0.00 0.00 0.00 176.54 176.16 1uks h TRP 238 N 0.45 0.75 -0.61 5.60 7.01 -1.56 -2.82 115.95 124.77 1uks h TRP 238 Ca 0.10 -0.28 -0.02 0.00 2.11 0.00 0.00 58.89 60.79 1uks h TRP 238 Cb 0.30 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1uks h TRP 238 CO 0.01 1.04 0.28 1.96 -2.79 0.00 0.00 178.44 178.94 1uks h GLN 239 N 0.24 0.86 -0.73 2.65 4.20 -0.75 -0.03 115.11 121.55 1uks h GLN 239 Ca -0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1uks h GLN 239 Cb 1.02 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1uks h GLN 239 CO 0.09 0.68 0.34 -0.22 -0.67 0.00 0.00 178.83 179.05 1uks h LYS 240 N 0.86 1.04 -0.03 1.46 3.64 -1.09 0.00 116.57 122.44 1uks h LYS 240 Ca 0.21 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 1uks h LYS 240 Cb 0.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1uks h LYS 240 CO -0.03 0.81 -0.71 0.66 -2.27 0.00 0.00 179.45 177.92 1uks h SER 241 N 1.03 0.21 -0.23 4.20 4.64 -1.04 -1.20 113.55 121.16 1uks h SER 241 Ca 0.25 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1uks h SER 241 Cb 0.12 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1uks h SER 241 CO -0.03 0.85 0.07 0.15 -0.87 0.00 0.00 176.83 177.00 1uks h PHE 242 N 0.12 0.37 -0.87 4.77 3.57 -0.60 -2.03 116.94 122.29 1uks h PHE 242 Ca -0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1uks h PHE 242 Cb 1.25 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1uks h PHE 242 CO 0.02 0.44 0.50 0.52 -2.23 0.00 0.00 178.31 177.56 1uks h MET 243 N 0.20 1.19 -0.05 1.11 2.86 -0.86 -1.82 114.93 117.56 1uks h MET 243 Ca 0.07 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1uks h MET 243 Cb 0.24 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1uks h MET 243 CO -0.00 0.85 -0.16 0.00 1.06 0.00 0.00 176.91 178.65 1uks h ALA 244 N 1.35 1.65 -0.27 6.32 0.00 -1.08 0.17 119.26 127.41 1uks h ALA 244 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1uks h ALA 244 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1uks h ALA 244 CO -0.05 0.26 -0.08 1.15 0.00 0.00 0.00 179.25 180.53 1uks h THR 245 N 0.07 1.29 0.05 0.00 2.02 -0.59 -0.07 112.91 115.67 1uks h THR 245 Ca 0.01 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1uks h THR 245 Cb 0.33 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1uks h THR 245 CO 0.02 0.35 -0.02 0.40 0.37 0.00 0.00 175.52 176.64 1uks h ILE 246 N 0.27 1.15 -0.02 3.11 2.04 -1.04 -2.72 117.51 120.30 1uks h ILE 246 Ca 0.07 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 1uks h ILE 246 Cb 0.56 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1uks h ILE 246 CO 0.03 0.17 -0.54 0.78 0.00 0.00 0.00 178.15 178.59 1uks h ASN 247 N -0.36 0.06 0.25 1.72 -0.26 -0.62 -0.66 115.58 115.71 1uks h ASN 247 Ca -0.01 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1uks h ASN 247 Cb 0.32 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1uks h ASN 247 CO 0.01 0.58 -0.13 0.59 -1.06 0.00 0.00 177.43 177.43 1uks n ASN 248 N -3.90 0.74 0.00 5.81 3.02 -0.05 -4.04 115.26 116.83 1uks n ASN 248 Ca -0.02 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1uks n ASN 248 Cb 0.55 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1uks n ASN 248 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uks n TYR 249 N -0.71 0.00 -3.44 3.10 -0.00 -0.83 -5.00 117.16 110.28 1uks n TYR 249 Ca 0.15 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.79 1uks n TYR 249 Cb 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.53 1uks n TYR 249 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1uks s LYS 250 N -0.68 0.54 0.10 2.98 1.02 -0.32 -5.09 119.74 118.29 1uks s LYS 250 Ca 0.00 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 1uks s LYS 250 Cb 0.00 -1.13 -0.08 0.00 -0.52 0.00 0.00 37.83 36.10 1uks s LYS 250 CO 0.00 -1.19 1.48 -1.25 -0.92 0.00 0.00 175.35 173.46 1uks s PRO 251 N 1.25 4.27 0.13 -1.68 0.04 -1.15 -4.68 135.00 133.18 1uks s PRO 251 Ca 0.17 2.17 0.04 0.00 0.04 0.00 0.00 61.00 63.42 1uks s PRO 251 Cb -0.21 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 1uks s PRO 251 CO -0.03 -0.54 -0.10 0.14 0.04 0.00 0.00 177.00 176.50 1uks s VAL 252 N 1.52 1.13 0.07 -0.36 -7.23 -1.26 -4.47 120.40 109.80 1uks s VAL 252 Ca 0.67 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1uks s VAL 252 Cb -0.38 -1.72 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 1uks s VAL 252 CO 0.30 -0.69 1.86 0.12 -0.31 0.00 0.00 175.10 176.39 1uks s PHE 253 N -3.06 1.77 -0.03 2.82 2.19 0.12 -4.88 117.98 116.91 1uks s PHE 253 Ca 0.14 -0.17 0.04 0.00 0.33 0.00 0.00 56.93 57.27 1uks s PHE 253 Cb 0.01 -4.17 -0.01 0.00 -1.31 0.00 0.00 43.02 37.54 1uks s PHE 253 CO 0.00 -5.02 -0.16 0.99 1.83 0.00 0.00 175.22 172.86 1uks s THR 254 N 3.58 1.31 0.03 0.12 2.01 -1.26 -1.74 115.64 119.69 1uks s THR 254 Ca 0.83 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1uks s THR 254 Cb -0.43 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.94 1uks s THR 254 CO 0.38 0.38 0.03 0.72 -0.69 0.00 0.00 174.62 175.43 1uks s PHE 255 N -0.07 0.28 0.46 4.92 -0.12 -0.70 -1.81 117.98 120.96 1uks s PHE 255 Ca -0.01 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.29 1uks s PHE 255 Cb -0.10 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 1uks s PHE 255 CO 0.01 -0.31 0.04 0.20 -0.05 0.00 0.00 175.22 175.11 1uks s GLY 256 N -2.07 2.72 -0.22 1.99 0.00 -0.15 -0.67 107.32 108.93 1uks s GLY 256 Ca -0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 44.72 43.26 1uks s GLY 256 CO -0.04 -2.12 -0.07 1.85 0.00 0.00 0.00 173.10 172.72 1uks s GLU 257 N -3.83 3.17 -0.21 2.90 2.12 -0.99 -0.93 118.70 120.92 1uks s GLU 257 Ca 0.22 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.79 1uks s GLU 257 Cb 0.05 -2.94 0.06 0.00 0.26 0.00 0.00 34.13 31.56 1uks s GLU 257 CO 0.12 -0.26 -0.01 -0.46 -0.54 0.00 0.00 175.26 174.11 1uks s TRP 258 N 1.41 1.68 0.27 5.30 -0.11 -1.26 -3.13 118.94 123.11 1uks s TRP 258 Ca 0.04 -1.28 -0.29 0.00 1.22 0.00 0.00 56.10 55.78 1uks s TRP 258 Cb -0.15 -1.29 -0.09 0.00 -1.50 0.00 0.00 33.47 30.44 1uks s TRP 258 CO -0.05 -0.69 1.06 -1.17 -4.62 0.00 0.00 176.95 171.48 1uks s LEU 259 N 1.64 4.56 0.08 5.86 0.20 -1.26 -4.81 118.68 124.95 1uks s LEU 259 Ca -0.03 2.19 0.07 0.00 0.69 0.00 0.00 54.13 57.05 1uks s LEU 259 Cb -0.18 -3.64 -0.03 0.00 -0.43 0.00 0.00 46.19 41.91 1uks s LEU 259 CO -0.07 -0.08 -0.18 -0.76 -0.29 0.00 0.00 176.35 174.96 1uks s LEU 260 N -1.43 2.25 0.73 -0.68 1.43 -1.26 -5.13 118.68 114.60 1uks s LEU 260 Ca 0.44 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1uks s LEU 260 Cb -0.30 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.27 1uks s LEU 260 CO 0.39 0.04 1.01 -0.83 0.23 0.00 0.00 176.35 177.19 1uks s GLY 261 N -1.63 1.76 0.25 -3.19 0.00 -1.26 -4.96 107.32 98.29 1uks s GLY 261 Ca 0.04 -1.49 -0.31 0.00 0.00 0.00 0.00 44.72 42.95 1uks s GLY 261 CO 0.03 -0.95 1.65 1.55 0.00 0.00 0.00 173.10 175.38 1uks n VAL 262 N -2.91 0.51 -4.41 1.40 3.14 -1.26 -2.30 118.33 112.50 1uks n VAL 262 Ca 0.13 -0.13 -0.36 0.00 -2.96 0.00 0.00 64.34 61.02 1uks n VAL 262 Cb 0.60 -1.95 -0.09 0.00 -1.06 0.00 0.00 33.84 31.34 1uks n VAL 262 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1uks n ASN 263 N 3.04 -0.24 -4.59 6.55 6.94 -1.26 -4.96 115.26 120.74 1uks n ASN 263 Ca 0.12 -1.26 -0.35 0.00 -0.02 0.00 0.00 54.58 53.07 1uks n ASN 263 Cb 0.35 -1.62 -0.10 0.00 -2.36 0.00 0.00 39.78 36.05 1uks n ASN 263 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1uks s GLU 264 N -7.32 3.88 -0.13 -3.83 2.12 -0.97 -5.08 118.70 107.38 1uks s GLU 264 Ca 0.35 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1uks s GLU 264 Cb -0.21 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1uks s GLU 264 CO 1.01 0.20 -0.11 0.42 -0.54 0.00 0.00 175.26 176.24 1uks s ILE 265 N 0.55 1.29 -0.15 -3.70 1.01 -1.26 -4.77 121.20 114.18 1uks s ILE 265 Ca 0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1uks s ILE 265 Cb -0.13 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1uks s ILE 265 CO 0.01 0.41 -0.12 -0.55 0.00 0.00 0.00 174.94 174.69 1uks s SER 266 N 1.52 3.94 0.25 3.58 0.15 -1.26 -5.02 113.70 116.87 1uks s SER 266 Ca 0.03 -0.38 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 1uks s SER 266 Cb -0.13 -1.62 0.30 0.00 -1.71 0.00 0.00 66.02 62.87 1uks s SER 266 CO -0.08 0.11 1.71 1.55 1.20 0.00 0.00 173.24 177.73 1uks h PRO 267 N 7.10 0.71 -0.68 5.44 0.13 -1.99 -2.87 132.00 139.84 1uks h PRO 267 Ca -0.30 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1uks h PRO 267 Cb 1.20 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1uks h PRO 267 CO 0.57 0.82 0.30 0.93 -0.23 0.00 0.00 178.00 180.38 1uks h GLU 268 N 0.64 1.00 0.06 0.86 3.07 -1.98 0.13 114.58 118.37 1uks h GLU 268 Ca 0.11 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1uks h GLU 268 Cb 0.60 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1uks h GLU 268 CO 0.04 0.82 -0.18 -0.92 -1.40 0.00 0.00 179.01 177.37 1uks h TYR 269 N 0.96 -0.46 -0.60 4.33 5.03 -1.98 0.11 116.97 124.35 1uks h TYR 269 Ca 0.23 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.49 1uks h TYR 269 Cb 0.17 0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1uks h TYR 269 CO 0.01 -0.26 0.12 0.45 -1.32 0.00 0.00 178.16 177.16 1uks h HIS 270 N -0.32 1.01 -0.66 -3.82 3.86 -1.24 -1.70 115.15 112.28 1uks h HIS 270 Ca 0.04 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1uks h HIS 270 Cb 0.36 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 1uks h HIS 270 CO -0.20 0.85 0.39 0.37 0.86 0.00 0.00 177.93 180.20 1uks h GLN 271 N 0.91 0.91 -0.09 2.45 4.15 -0.46 -0.41 115.11 122.58 1uks h GLN 271 Ca 0.19 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 1uks h GLN 271 Cb 0.37 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1uks h GLN 271 CO 0.01 0.65 0.05 0.35 -1.93 0.00 0.00 178.83 177.96 1uks h PHE 272 N 0.90 0.12 -0.15 3.99 3.04 -0.40 0.14 116.94 124.58 1uks h PHE 272 Ca 0.24 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.15 1uks h PHE 272 Cb -0.01 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1uks h PHE 272 CO -0.01 0.16 -0.04 0.00 -2.02 0.00 0.00 178.31 176.40 1uks h ALA 273 N 0.95 1.65 0.00 2.41 0.00 -0.88 -1.51 119.26 121.88 1uks h ALA 273 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1uks h ALA 273 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1uks h ALA 273 CO -0.00 0.26 -0.91 -0.91 0.00 0.00 0.00 179.25 177.68 1uks h ASN 274 N 0.22 0.00 0.00 0.00 2.35 -0.78 -3.41 115.58 113.96 1uks h ASN 274 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1uks h ASN 274 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1uks h ASN 274 CO 0.01 0.58 0.00 -0.62 -1.65 0.00 0.00 177.43 175.75 1uks n GLU 275 N -3.11 6.51 0.15 0.81 1.02 0.47 -4.79 120.64 121.71 1uks n GLU 275 Ca -0.03 -0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1uks n GLU 275 Cb 0.80 -0.51 0.15 0.00 -0.02 0.00 0.00 31.44 31.86 1uks n GLU 275 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1uks h SER 276 N 0.00 0.00 0.00 1.62 4.64 -1.46 -3.47 113.55 114.88 1uks h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uks h SER 276 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1uks h SER 276 CO 0.00 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1uks n GLY 277 N 0.77 0.40 3.42 -0.77 0.00 -1.26 -4.36 105.19 103.39 1uks n GLY 277 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1uks n GLY 277 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1uks s MET 278 N -0.90 1.52 0.00 1.61 0.23 -1.26 -4.78 119.30 115.71 1uks s MET 278 Ca 0.00 -1.71 0.00 0.00 -1.03 0.00 0.00 55.69 52.95 1uks s MET 278 Cb 0.00 -1.37 0.00 0.00 -1.53 0.00 0.00 34.83 31.93 1uks s MET 278 CO 0.00 0.19 0.00 -1.13 -2.03 0.00 0.00 175.02 172.05 1uks n SER 279 N -0.53 0.00 -4.17 -1.18 3.41 -0.75 -4.56 113.62 105.85 1uks n SER 279 Ca -0.06 -0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 57.57 1uks n SER 279 Cb 0.61 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1uks n SER 279 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uks s LEU 280 N 0.00 2.44 -0.03 1.04 1.02 -1.26 -0.97 118.68 120.91 1uks s LEU 280 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 54.13 52.98 1uks s LEU 280 Cb 0.00 -0.21 -0.05 0.00 0.02 0.00 0.00 46.19 45.95 1uks s LEU 280 CO 0.00 -0.34 1.37 -0.22 0.02 0.00 0.00 176.35 177.18 1uks s LEU 281 N -2.63 4.30 -1.35 1.79 2.96 -0.11 -1.56 118.68 122.08 1uks s LEU 281 Ca 0.07 2.03 -0.17 0.00 -0.22 0.00 0.00 54.13 55.84 1uks s LEU 281 Cb -0.00 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.19 1uks s LEU 281 CO -0.02 -0.71 1.89 -0.67 -1.32 0.00 0.00 176.35 175.52 1uks n ASP 282 N 5.59 4.62 0.25 3.68 4.64 0.11 -4.75 116.55 130.69 1uks n ASP 282 Ca 0.13 -2.90 0.09 0.00 -1.38 0.00 0.00 54.79 50.73 1uks n ASP 282 Cb 0.44 -1.72 0.64 0.00 -1.04 0.00 0.00 41.12 39.44 1uks n ASP 282 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1uks h PHE 283 N 7.09 0.00 -0.68 -0.67 0.04 -1.87 -1.57 116.94 119.27 1uks h PHE 283 Ca 0.49 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.20 1uks h PHE 283 Cb 0.80 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 1uks h PHE 283 CO 1.44 0.11 0.20 -0.09 -0.60 0.00 0.00 178.31 179.36 1uks h ARG 284 N 0.00 1.08 0.23 1.51 2.43 -1.92 -0.24 114.38 117.47 1uks h ARG 284 Ca -0.00 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1uks h ARG 284 Cb 0.22 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1uks h ARG 284 CO 0.01 0.94 -0.11 0.35 -1.51 0.00 0.00 179.97 179.65 1uks h PHE 285 N 1.01 -0.29 -0.56 2.20 3.57 -1.83 -2.74 116.94 118.29 1uks h PHE 285 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1uks h PHE 285 Cb 0.33 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1uks h PHE 285 CO 0.03 0.02 0.34 0.00 -2.23 0.00 0.00 178.31 176.46 1uks h ALA 286 N 0.07 0.73 -0.36 2.41 0.00 -1.03 0.04 119.26 121.12 1uks h ALA 286 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1uks h ALA 286 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1uks h ALA 286 CO 0.05 0.06 -0.02 1.96 0.00 0.00 0.00 179.25 181.30 1uks h GLN 287 N 0.67 0.65 -0.41 0.00 1.08 -1.13 -0.98 115.11 114.99 1uks h GLN 287 Ca 0.23 -0.22 -0.15 0.00 -1.45 0.00 0.00 58.65 57.06 1uks h GLN 287 Cb 0.03 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1uks h GLN 287 CO -0.10 0.77 -0.33 -0.22 -0.95 0.00 0.00 178.83 178.00 1uks h LYS 288 N 0.46 0.94 -0.97 1.46 1.63 -1.12 -1.45 116.57 117.51 1uks h LYS 288 Ca 0.10 -0.46 0.05 0.00 -0.85 0.00 0.00 60.65 59.49 1uks h LYS 288 Cb 0.49 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.06 1uks h LYS 288 CO 0.02 1.12 0.63 0.00 -3.45 0.00 0.00 179.45 177.77 1uks h ALA 289 N 0.83 1.31 -0.38 5.00 0.00 -0.85 -0.95 119.26 124.23 1uks h ALA 289 Ca 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1uks h ALA 289 Cb 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1uks h ALA 289 CO 0.08 0.48 -0.29 0.00 0.00 0.00 0.00 179.25 179.52 1uks h ARG 290 N 1.19 0.82 -0.71 0.00 3.08 -0.90 -0.80 114.38 117.07 1uks h ARG 290 Ca 0.40 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1uks h ARG 290 Cb 0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1uks h ARG 290 CO -0.14 1.00 0.34 1.96 -1.07 0.00 0.00 179.97 182.06 1uks h GLN 291 N 0.69 1.02 0.00 0.04 4.20 -0.30 0.71 115.11 121.48 1uks h GLN 291 Ca 0.08 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1uks h GLN 291 Cb 0.83 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1uks h GLN 291 CO 0.07 0.80 -0.00 0.28 -0.67 0.00 0.00 178.83 179.31 1uks h VAL 292 N 0.99 1.64 0.00 -0.54 2.07 -1.16 0.12 116.25 119.38 1uks h VAL 292 Ca 0.24 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1uks h VAL 292 Cb 0.11 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1uks h VAL 292 CO -0.03 0.54 -0.96 0.49 0.02 0.00 0.00 177.57 177.63 1uks n PHE 293 N -4.65 0.68 -0.01 1.57 3.01 -0.31 -4.20 117.46 113.55 1uks n PHE 293 Ca -0.09 0.20 -0.05 0.00 1.01 0.00 0.00 57.45 58.51 1uks n PHE 293 Cb 0.43 -0.76 -0.02 0.00 -0.01 0.00 0.00 39.48 39.13 1uks n PHE 293 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1uks n ARG 294 N -2.37 0.21 0.03 -1.08 0.63 -0.10 -4.83 116.66 109.14 1uks n ARG 294 Ca 0.01 0.09 0.11 0.00 -0.92 0.00 0.00 57.85 57.14 1uks n ARG 294 Cb 0.50 -0.87 0.08 0.00 0.45 0.00 0.00 32.46 32.62 1uks n ARG 294 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1uks n ASP 295 N -3.80 0.63 -3.79 6.15 10.43 0.05 -4.98 116.55 121.25 1uks n ASP 295 Ca -0.09 -0.22 -0.24 0.00 2.57 0.00 0.00 54.79 56.82 1uks n ASP 295 Cb 0.29 0.61 0.02 0.00 1.84 0.00 0.00 41.12 43.88 1uks n ASP 295 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1uks n ASN 296 N -1.87 -1.69 -0.78 -2.24 5.15 -0.11 -4.90 115.26 108.82 1uks n ASN 296 Ca 0.03 -0.85 0.08 0.00 -0.60 0.00 0.00 54.58 53.24 1uks n ASN 296 Cb 0.41 -3.82 0.14 0.00 -0.53 0.00 0.00 39.78 35.98 1uks n ASN 296 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1uks n THR 297 N -4.37 0.46 -3.71 -0.44 -2.24 0.23 -4.98 114.28 99.23 1uks n THR 297 Ca -0.23 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 60.72 1uks n THR 297 Cb 0.65 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 1uks n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uks s ASP 298 N -1.19 -0.32 0.00 3.42 -1.08 -1.19 -4.97 116.67 111.34 1uks s ASP 298 Ca 0.26 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1uks s ASP 298 Cb 0.15 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 42.23 1uks s ASP 298 CO 0.21 -1.11 0.00 -0.46 0.52 0.00 0.00 175.17 174.34 1uks n ASN 299 N -0.38 1.98 0.30 -0.34 0.23 -1.26 -4.06 115.26 111.73 1uks n ASN 299 Ca -0.10 -0.81 0.19 0.00 -0.53 0.00 0.00 54.58 53.33 1uks n ASN 299 Cb 0.62 0.00 0.90 0.00 -2.08 0.00 0.00 39.78 39.22 1uks n ASN 299 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1uks h MET 300 N 0.00 0.00 -0.12 -3.83 2.86 -1.58 -1.29 114.93 110.98 1uks h MET 300 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1uks h MET 300 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1uks h MET 300 CO 0.00 0.03 -0.50 1.88 1.06 0.00 0.00 176.91 179.37 1uks h TYR 301 N 0.00 0.38 -0.40 -0.22 -1.99 -1.85 -0.51 116.97 112.38 1uks h TYR 301 Ca -0.00 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 1uks h TYR 301 Cb 0.29 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 1uks h TYR 301 CO 0.00 0.75 0.11 0.78 -0.00 0.00 0.00 178.16 179.80 1uks h GLY 302 N 1.29 0.68 0.91 3.88 0.00 -1.62 -0.58 103.07 107.63 1uks h GLY 302 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.94 1uks h GLY 302 CO 0.08 0.39 0.22 -2.00 0.00 0.00 0.00 176.54 175.23 1uks h LEU 303 N 0.50 0.36 -0.24 3.11 5.85 -1.23 -1.36 115.31 122.29 1uks h LEU 303 Ca 0.13 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1uks h LEU 303 Cb 0.29 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1uks h LEU 303 CO -0.00 0.26 0.06 0.50 -0.34 0.00 0.00 178.44 178.92 1uks h LYS 304 N 0.45 0.16 -0.28 1.25 3.64 -1.00 -1.05 116.57 119.75 1uks h LYS 304 Ca 0.15 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1uks h LYS 304 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1uks h LYS 304 CO -0.07 0.10 -0.16 0.00 -2.27 0.00 0.00 179.45 177.06 1uks h ALA 305 N 1.17 1.22 -0.32 5.00 0.00 -0.86 -0.01 119.26 125.46 1uks h ALA 305 Ca 0.11 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1uks h ALA 305 Cb 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1uks h ALA 305 CO -0.13 0.51 -0.34 1.98 0.00 0.00 0.00 179.25 181.27 1uks h MET 306 N 0.44 0.79 -0.57 0.00 1.85 -0.90 0.13 114.93 116.67 1uks h MET 306 Ca 0.08 -0.43 -0.10 0.00 -0.61 0.00 0.00 59.70 58.64 1uks h MET 306 Cb 0.54 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.56 1uks h MET 306 CO 0.03 1.06 -0.05 -0.07 -0.40 0.00 0.00 176.91 177.48 1uks h LEU 307 N 0.56 1.03 -0.14 3.39 3.38 -0.74 -0.34 115.31 122.45 1uks h LEU 307 Ca 0.05 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 1uks h LEU 307 Cb 0.92 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1uks h LEU 307 CO 0.08 1.11 -0.45 -0.33 0.09 0.00 0.00 178.44 178.94 1uks h GLU 308 N 0.94 0.55 -0.38 1.13 5.08 -0.99 -2.89 114.58 118.01 1uks h GLU 308 Ca 0.16 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1uks h GLU 308 Cb 0.61 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1uks h GLU 308 CO 0.04 1.03 0.02 0.78 -1.00 0.00 0.00 179.01 179.88 1uks h GLY 309 N 0.18 0.72 2.00 -3.84 0.00 -0.72 -3.11 103.07 98.30 1uks h GLY 309 Ca -0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1uks h GLY 309 CO 0.10 0.47 -0.11 1.48 0.00 0.00 0.00 176.54 178.48 1uks h SER 310 N 0.49 0.00 0.42 0.19 4.64 -1.12 -1.84 113.55 116.34 1uks h SER 310 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1uks h SER 310 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1uks h SER 310 CO 0.02 0.11 -0.18 -0.08 -0.87 0.00 0.00 176.83 175.82 1uks h GLU 311 N 0.00 0.00 0.03 4.77 4.81 -1.43 -2.54 114.58 120.21 1uks h GLU 311 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1uks h GLU 311 Cb 0.65 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1uks h GLU 311 CO 0.01 0.18 -1.59 0.28 -0.73 0.00 0.00 179.01 177.17 1uks n VAL 312 N -3.74 1.59 0.08 0.32 0.31 -1.04 -4.52 118.33 111.32 1uks n VAL 312 Ca -0.02 -0.21 0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1uks n VAL 312 Cb 0.29 -1.94 0.33 0.00 -0.91 0.00 0.00 33.84 31.61 1uks n VAL 312 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1uks h ASP 313 N -0.75 0.32 -3.36 4.52 3.32 -1.33 -3.40 116.42 115.74 1uks h ASP 313 Ca -0.41 -0.07 -0.58 0.00 0.02 0.00 0.00 57.03 55.99 1uks h ASP 313 Cb 1.51 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.90 1uks h ASP 313 CO -0.17 0.49 -0.04 -0.31 -1.72 0.00 0.00 179.24 177.49 1uks s TYR 314 N -4.71 3.49 0.29 4.55 2.02 -0.96 -4.94 117.35 117.09 1uks s TYR 314 Ca -0.06 0.96 0.07 0.00 -0.37 0.00 0.00 57.07 57.67 1uks s TYR 314 Cb 0.15 -2.66 0.43 0.00 -0.40 0.00 0.00 41.96 39.49 1uks s TYR 314 CO 0.75 0.07 1.68 0.00 -1.57 0.00 0.00 175.55 176.48 1uks h ALA 315 N 6.92 1.08 -2.78 3.71 0.00 -1.89 -3.34 119.26 122.96 1uks h ALA 315 Ca -0.39 -0.43 -0.61 0.00 0.00 0.00 0.00 54.91 53.48 1uks h ALA 315 Cb 1.17 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 1uks h ALA 315 CO 0.76 0.61 -0.76 -0.65 0.00 0.00 0.00 179.25 179.21 1uks s GLN 316 N -4.07 1.66 0.59 0.00 1.11 -1.26 -4.96 119.66 112.73 1uks s GLN 316 Ca -0.04 -2.65 0.37 0.00 0.01 0.00 0.00 55.36 53.05 1uks s GLN 316 Cb 0.13 -2.45 1.71 0.00 -1.01 0.00 0.00 33.01 31.39 1uks s GLN 316 CO 0.77 -1.31 2.11 -0.24 0.01 0.00 0.00 175.29 176.64 1uks h VAL 317 N 4.62 0.04 0.00 1.09 3.04 -1.87 -2.68 116.25 120.48 1uks h VAL 317 Ca 0.17 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1uks h VAL 317 Cb 0.84 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1uks h VAL 317 CO 0.54 0.01 0.00 0.59 -1.01 0.00 0.00 177.57 177.70 1uks n ASN 318 N -3.12 0.00 -0.50 3.17 3.02 -1.26 -2.44 115.26 114.13 1uks n ASN 318 Ca -0.01 -0.26 0.08 0.00 -0.03 0.00 0.00 54.58 54.36 1uks n ASN 318 Cb 0.23 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1uks n ASN 318 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1uks n ASP 319 N -1.17 1.97 -4.77 6.41 10.43 -1.01 -4.37 116.55 124.05 1uks n ASP 319 Ca 0.12 -1.49 -0.40 0.00 2.57 0.00 0.00 54.79 55.60 1uks n ASP 319 Cb 0.12 0.27 -0.06 0.00 1.84 0.00 0.00 41.12 43.29 1uks n ASP 319 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1uks s GLN 320 N -1.70 4.64 -0.26 -1.24 -1.52 -1.02 -4.57 119.66 113.98 1uks s GLN 320 Ca 0.16 1.24 -0.17 0.00 -1.95 0.00 0.00 55.36 54.65 1uks s GLN 320 Cb 0.14 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 1uks s GLN 320 CO 0.33 0.56 0.45 0.08 -0.25 0.00 0.00 175.29 176.46 1uks s VAL 321 N -1.15 5.12 0.34 1.09 1.01 -0.60 -0.46 120.40 125.75 1uks s VAL 321 Ca 0.37 0.75 0.07 0.00 0.00 0.00 0.00 61.98 63.17 1uks s VAL 321 Cb -0.24 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1uks s VAL 321 CO 0.28 0.12 0.45 0.42 0.00 0.00 0.00 175.10 176.37 1uks s THR 322 N 2.17 3.91 -0.05 3.92 -4.23 0.28 0.08 115.64 121.71 1uks s THR 322 Ca 0.19 -1.06 -0.31 0.00 -1.18 0.00 0.00 61.69 59.33 1uks s THR 322 Cb -0.16 -3.34 0.12 0.00 1.34 0.00 0.00 72.50 70.45 1uks s THR 322 CO 0.09 -0.15 1.16 0.72 -0.54 0.00 0.00 174.62 175.91 1uks s PHE 323 N -2.21 -0.12 -0.33 3.99 -0.12 -1.26 -0.59 117.98 117.34 1uks s PHE 323 Ca 0.45 0.00 0.09 0.00 -0.05 0.00 0.00 56.93 57.42 1uks s PHE 323 Cb -0.09 0.55 -0.10 0.00 -0.63 0.00 0.00 43.02 42.75 1uks s PHE 323 CO 0.31 -0.37 0.33 0.44 -0.05 0.00 0.00 175.22 175.88 1uks n ILE 324 N -0.32 0.00 -3.74 -4.49 -5.35 -1.26 -4.05 119.36 100.15 1uks n ILE 324 Ca -0.05 -0.28 -0.05 0.00 -0.27 0.00 0.00 62.75 62.10 1uks n ILE 324 Cb 0.61 0.87 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 1uks n ILE 324 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1uks s ASP 325 N -2.03 -0.22 0.00 7.28 1.47 -1.26 -4.68 116.67 117.23 1uks s ASP 325 Ca 0.02 -0.39 0.00 0.00 1.18 0.00 0.00 52.55 53.36 1uks s ASP 325 Cb 0.06 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 43.17 1uks s ASP 325 CO 0.35 -0.95 0.00 -0.46 0.68 0.00 0.00 175.17 174.79 1uks n ASN 326 N -0.44 0.00 0.15 2.11 0.23 -1.26 -4.51 115.26 111.53 1uks n ASN 326 Ca -0.06 -0.99 0.09 0.00 -0.53 0.00 0.00 54.58 53.10 1uks n ASN 326 Cb 0.61 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.81 1uks n ASN 326 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1uks n HIS 327 N 0.00 0.63 -0.97 -2.53 1.44 -1.26 -2.50 115.22 110.03 1uks n HIS 327 Ca 0.00 0.33 0.09 0.00 -2.01 0.00 0.00 57.72 56.13 1uks n HIS 327 Cb 0.00 -0.99 0.26 0.00 0.12 0.00 0.00 29.99 29.38 1uks n HIS 327 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1uks n ASP 328 N -2.17 3.88 -4.03 4.39 8.00 -1.26 -4.62 116.55 120.75 1uks n ASP 328 Ca -0.01 -2.99 -0.08 0.00 0.71 0.00 0.00 54.79 52.42 1uks n ASP 328 Cb 0.09 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.55 1uks n ASP 328 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1uks s MET 329 N -2.78 0.57 0.44 -1.24 -1.94 -1.04 -4.97 119.30 108.34 1uks s MET 329 Ca 0.42 -1.03 -0.25 0.00 -1.71 0.00 0.00 55.69 53.12 1uks s MET 329 Cb 0.34 0.20 -0.08 0.00 2.01 0.00 0.00 34.83 37.30 1uks s MET 329 CO 0.09 -0.12 1.35 -1.21 -0.01 0.00 0.00 175.02 175.13 1uks s GLU 330 N -3.29 3.74 0.57 2.03 2.02 -1.26 -4.61 118.70 117.90 1uks s GLU 330 Ca 0.01 2.25 -0.21 0.00 0.02 0.00 0.00 54.97 57.04 1uks s GLU 330 Cb 0.03 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1uks s GLU 330 CO -0.08 -0.71 1.35 1.03 0.02 0.00 0.00 175.26 176.87 1uks s ARG 331 N -2.43 3.00 0.15 1.61 0.52 -0.05 -4.79 118.95 116.96 1uks s ARG 331 Ca 0.61 2.21 -0.16 0.00 -0.52 0.00 0.00 55.73 57.87 1uks s ARG 331 Cb -0.40 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 32.91 1uks s ARG 331 CO 0.51 -1.29 1.77 0.35 0.02 0.00 0.00 175.30 176.66 1uks h PHE 332 N 1.26 0.55 -3.07 -0.53 3.57 -1.86 -3.42 116.94 113.45 1uks h PHE 332 Ca -0.51 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.45 1uks h PHE 332 Cb 1.31 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1uks h PHE 332 CO 0.45 0.40 0.68 -1.58 -2.23 0.00 0.00 178.31 176.03 1uks s HIS 333 N -5.96 3.21 0.46 0.41 2.46 -1.26 -4.98 115.29 109.63 1uks s HIS 333 Ca -0.13 1.11 0.07 0.00 0.47 0.00 0.00 55.06 56.58 1uks s HIS 333 Cb 0.11 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 1uks s HIS 333 CO 0.73 -1.75 0.42 0.95 -2.47 0.00 0.00 174.74 172.62 1uks s THR 334 N 1.65 2.33 0.30 0.89 -4.23 -1.26 -4.32 115.64 110.99 1uks s THR 334 Ca 0.60 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.78 1uks s THR 334 Cb -0.30 -2.69 0.09 0.00 1.34 0.00 0.00 72.50 70.94 1uks s THR 334 CO 0.27 0.00 1.76 0.77 -0.54 0.00 0.00 174.62 176.89 1uks h SER 335 N 0.89 0.46 -0.32 3.99 4.64 -1.98 -2.94 113.55 118.28 1uks h SER 335 Ca -0.39 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1uks h SER 335 Cb 1.28 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1uks h SER 335 CO 0.56 0.67 0.00 -0.46 -0.87 0.00 0.00 176.83 176.73 1uks n ASN 336 N -4.16 4.26 -4.80 4.97 0.23 -1.26 -4.98 115.26 109.53 1uks n ASN 336 Ca -0.00 -3.00 -0.38 0.00 -0.53 0.00 0.00 54.58 50.67 1uks n ASN 336 Cb 0.37 -0.57 -0.06 0.00 -2.08 0.00 0.00 39.78 37.43 1uks n ASN 336 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1uks s GLY 337 N -1.71 2.42 0.18 4.83 0.00 -1.11 -5.04 107.32 106.88 1uks s GLY 337 Ca 0.45 -0.25 -0.32 0.00 0.00 0.00 0.00 44.72 44.60 1uks s GLY 337 CO 0.10 0.31 1.66 -0.35 0.00 0.00 0.00 173.10 174.82 1uks s ASP 338 N -0.50 6.48 0.59 1.64 -1.08 -1.26 -4.73 116.67 117.82 1uks s ASP 338 Ca 0.23 2.73 0.30 0.00 -0.52 0.00 0.00 52.55 55.30 1uks s ASP 338 Cb -0.16 -2.59 1.83 0.00 -1.46 0.00 0.00 42.92 40.54 1uks s ASP 338 CO 0.11 -0.91 2.25 0.03 0.52 0.00 0.00 175.17 177.17 1uks h ARG 339 N 7.00 0.00 -0.06 4.34 3.08 -1.96 -0.65 114.38 126.12 1uks h ARG 339 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1uks h ARG 339 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1uks h ARG 339 CO 0.94 0.01 0.00 -0.09 -1.07 0.00 0.00 179.97 179.76 1uks h ARG 340 N 0.00 0.09 -0.76 0.04 9.65 -1.99 -1.63 114.38 119.78 1uks h ARG 340 Ca -0.00 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1uks h ARG 340 Cb 0.03 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1uks h ARG 340 CO 0.00 0.09 0.38 0.87 2.80 0.00 0.00 179.97 184.12 1uks h LYS 341 N 0.09 1.09 -0.26 0.20 1.57 -1.43 -0.77 116.57 117.05 1uks h LYS 341 Ca 0.02 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1uks h LYS 341 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1uks h LYS 341 CO 0.00 0.83 -0.10 1.25 -0.57 0.00 0.00 179.45 180.87 1uks h LEU 342 N 1.06 0.54 -0.90 2.94 5.85 -1.45 -2.13 115.31 121.23 1uks h LEU 342 Ca 0.26 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1uks h LEU 342 Cb 0.10 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1uks h LEU 342 CO -0.04 0.81 0.58 -0.33 -0.34 0.00 0.00 178.44 179.13 1uks h GLU 343 N 0.27 1.10 -0.28 1.25 5.08 -0.93 -0.91 114.58 120.16 1uks h GLU 343 Ca 0.06 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1uks h GLU 343 Cb 0.59 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1uks h GLU 343 CO 0.03 0.73 -0.26 1.96 -1.00 0.00 0.00 179.01 180.47 1uks h GLN 344 N 1.13 0.68 -0.84 2.33 4.20 -1.13 -2.10 115.11 119.37 1uks h GLN 344 Ca 0.35 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1uks h GLN 344 Cb -0.01 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1uks h GLN 344 CO -0.11 0.96 0.50 0.00 -0.67 0.00 0.00 178.83 179.50 1uks h ALA 345 N 0.71 1.29 -0.37 3.87 0.00 -1.07 0.17 119.26 123.85 1uks h ALA 345 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1uks h ALA 345 Cb 0.82 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1uks h ALA 345 CO 0.07 0.60 -0.08 -0.07 0.00 0.00 0.00 179.25 179.76 1uks h LEU 346 N 1.16 0.71 -0.82 0.00 3.38 -1.17 -1.08 115.31 117.48 1uks h LEU 346 Ca 0.30 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1uks h LEU 346 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1uks h LEU 346 CO -0.05 0.91 0.30 0.00 0.09 0.00 0.00 178.44 179.68 1uks h ALA 347 N 0.83 1.06 0.02 1.53 0.00 -0.92 -0.94 119.26 120.83 1uks h ALA 347 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uks h ALA 347 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1uks h ALA 347 CO 0.04 0.66 -0.01 0.35 0.00 0.00 0.00 179.25 180.29 1uks h PHE 348 N 1.14 -0.03 -0.58 0.00 3.57 -0.58 -2.50 116.94 117.97 1uks h PHE 348 Ca 0.26 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 1uks h PHE 348 Cb 0.23 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1uks h PHE 348 CO 0.02 -0.01 0.13 1.15 -2.23 0.00 0.00 178.31 177.38 1uks h THR 349 N -0.04 1.25 0.00 4.41 2.02 -0.85 -2.48 112.91 117.23 1uks h THR 349 Ca -0.00 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1uks h THR 349 Cb 0.03 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1uks h THR 349 CO 0.00 0.34 -0.17 -0.07 0.37 0.00 0.00 175.52 175.99 1uks h LEU 350 N 0.84 0.00 -2.05 2.58 4.07 -1.09 -2.71 115.31 116.95 1uks h LEU 350 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1uks h LEU 350 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1uks h LEU 350 CO 0.00 0.17 0.00 0.35 -1.08 0.00 0.00 178.44 177.88 1uks n THR 351 N -3.77 0.24 -2.84 0.22 -2.24 -0.95 -4.87 114.28 100.08 1uks n THR 351 Ca -0.02 -0.62 -0.23 0.00 -2.27 0.00 0.00 64.05 60.92 1uks n THR 351 Cb 0.28 1.21 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1uks n THR 351 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1uks s SER 352 N -1.58 5.64 0.69 3.42 0.01 -0.95 -4.91 113.70 116.01 1uks s SER 352 Ca 0.29 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 1uks s SER 352 Cb 0.19 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 65.10 1uks s SER 352 CO 0.27 -0.87 1.13 0.00 0.41 0.00 0.00 173.24 174.19 1uks s ARG 353 N -4.65 2.56 0.00 12.44 3.03 -1.26 -4.84 118.95 126.23 1uks s ARG 353 Ca 0.51 1.45 0.00 0.00 2.03 0.00 0.00 55.73 59.73 1uks s ARG 353 Cb -0.10 -1.91 0.00 0.00 -1.03 0.00 0.00 34.95 31.90 1uks s ARG 353 CO 0.39 -1.45 0.00 0.41 -1.13 0.00 0.00 175.30 173.52 1uks n GLY 354 N -0.36 -0.20 2.88 3.88 0.00 -1.26 -4.86 105.19 105.27 1uks n GLY 354 Ca 0.11 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1uks n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uks s VAL 355 N 0.00 1.35 0.21 1.61 1.01 0.40 -4.57 120.40 120.41 1uks s VAL 355 Ca 0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 1uks s VAL 355 Cb 0.00 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1uks s VAL 355 CO 0.00 -0.30 1.27 -2.16 0.00 0.00 0.00 175.10 173.91 1uks s PRO 356 N 1.44 4.42 -0.08 2.72 0.04 -1.26 -0.56 135.00 141.73 1uks s PRO 356 Ca 0.00 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1uks s PRO 356 Cb -0.18 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1uks s PRO 356 CO -0.11 -0.18 -0.24 0.00 0.04 0.00 0.00 177.00 176.51 1uks s ALA 357 N -0.09 2.15 -0.17 8.56 0.00 0.24 -1.25 121.76 131.21 1uks s ALA 357 Ca 0.54 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1uks s ALA 357 Cb -0.35 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1uks s ALA 357 CO 0.39 0.36 -0.10 0.42 0.00 0.00 0.00 175.76 176.83 1uks s ILE 358 N 0.06 3.15 0.05 0.00 1.01 0.74 -4.41 121.20 121.80 1uks s ILE 358 Ca -0.10 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1uks s ILE 358 Cb -0.16 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1uks s ILE 358 CO 0.06 0.49 1.09 -0.47 0.00 0.00 0.00 174.94 176.11 1uks s TYR 359 N 0.79 3.56 0.26 3.97 5.04 -1.26 -0.46 117.35 129.25 1uks s TYR 359 Ca -0.04 1.51 -0.29 0.00 -2.44 0.00 0.00 57.07 55.82 1uks s TYR 359 Cb -0.15 -3.27 -0.15 0.00 0.35 0.00 0.00 41.96 38.74 1uks s TYR 359 CO 0.01 -0.64 0.95 2.48 -1.34 0.00 0.00 175.55 177.01 1uks n TYR 360 N 3.70 0.97 0.00 4.97 4.11 -0.01 -1.91 117.16 128.99 1uks n TYR 360 Ca 0.07 0.75 0.00 0.00 -0.00 0.00 0.00 57.90 58.72 1uks n TYR 360 Cb 0.48 -2.20 0.00 0.00 -0.00 0.00 0.00 39.34 37.62 1uks n TYR 360 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1uks n GLY 361 N 1.47 1.94 0.23 -7.48 0.00 -1.26 -4.90 105.19 95.19 1uks n GLY 361 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1uks n GLY 361 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uks h SER 362 N 0.00 0.32 0.23 1.61 0.02 -1.73 -1.39 113.55 112.62 1uks h SER 362 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1uks h SER 362 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1uks h SER 362 CO 0.00 0.21 0.00 -1.84 -1.14 0.00 0.00 176.83 174.06 1uks n GLU 363 N -4.92 0.08 -0.20 3.45 0.00 -1.26 -1.11 120.64 116.67 1uks n GLU 363 Ca 0.07 0.25 0.06 0.00 0.00 0.00 0.00 57.16 57.54 1uks n GLU 363 Cb 0.21 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.30 1uks n GLU 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1uks n GLN 364 N -1.37 2.75 -3.78 3.44 1.13 -0.54 -4.10 117.38 114.90 1uks n GLN 364 Ca 0.04 -2.22 -0.27 0.00 -1.94 0.00 0.00 57.00 52.61 1uks n GLN 364 Cb 0.09 -1.40 0.04 0.00 0.11 0.00 0.00 30.24 29.08 1uks n GLN 364 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1uks n TYR 365 N -0.15 -2.35 -2.13 1.08 4.01 -0.27 -4.95 117.16 112.39 1uks n TYR 365 Ca 0.12 0.92 -0.41 0.00 -0.16 0.00 0.00 57.90 58.38 1uks n TYR 365 Cb 0.54 -4.34 -0.02 0.00 -0.31 0.00 0.00 39.34 35.21 1uks n TYR 365 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1uks s MET 366 N -6.37 4.36 0.36 -0.72 -1.94 -1.08 -4.97 119.30 108.93 1uks s MET 366 Ca 0.49 2.18 0.08 0.00 -1.71 0.00 0.00 55.69 56.73 1uks s MET 366 Cb -0.24 -3.12 -0.05 0.00 2.01 0.00 0.00 34.83 33.44 1uks s MET 366 CO 0.80 -0.24 0.12 -1.54 -0.01 0.00 0.00 175.02 174.15 1uks s SER 367 N -0.09 4.47 0.00 3.03 1.04 -1.26 -4.41 113.70 116.49 1uks s SER 367 Ca 0.53 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1uks s SER 367 Cb -0.39 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.13 1uks s SER 367 CO 0.46 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1uks n GLY 368 N -1.13 3.32 0.00 7.32 0.00 -1.26 -4.89 105.19 108.56 1uks n GLY 368 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1uks n GLY 368 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uks n GLY 369 N -0.88 -0.10 3.65 -0.02 0.00 -1.26 -0.87 105.19 105.71 1uks n GLY 369 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1uks n GLY 369 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uks s ASN 370 N -1.00 2.38 -0.20 1.61 0.01 -1.26 -1.71 114.94 114.76 1uks s ASN 370 Ca 0.00 1.23 -0.35 0.00 -0.71 0.00 0.00 52.86 53.03 1uks s ASN 370 Cb 0.00 -1.91 -0.16 0.00 0.41 0.00 0.00 41.25 39.59 1uks s ASN 370 CO 0.00 -3.29 1.08 -0.67 -1.51 0.00 0.00 177.10 172.71 1uks n ASP 371 N -4.28 0.49 -1.02 -1.22 4.64 -1.26 -1.20 116.55 112.69 1uks n ASP 371 Ca 0.05 0.95 0.11 0.00 -1.38 0.00 0.00 54.79 54.52 1uks n ASP 371 Cb 0.57 -0.73 0.26 0.00 -1.04 0.00 0.00 41.12 40.18 1uks n ASP 371 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1uks n PRO 372 N 2.23 2.33 0.11 -0.67 -0.04 -1.26 -4.93 135.00 132.77 1uks n PRO 372 Ca 0.21 -2.02 0.12 0.00 -0.04 0.00 0.00 63.50 61.77 1uks n PRO 372 Cb 0.01 -1.48 0.46 0.00 -0.04 0.00 0.00 33.50 32.45 1uks n PRO 372 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1uks n ASP 373 N 1.21 0.61 -0.48 3.54 8.00 -0.34 -1.13 116.55 127.97 1uks n ASP 373 Ca 0.19 0.63 0.09 0.00 0.71 0.00 0.00 54.79 56.40 1uks n ASP 373 Cb 0.53 -0.77 0.32 0.00 -0.02 0.00 0.00 41.12 41.19 1uks n ASP 373 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1uks n ASN 374 N -2.15 1.41 -1.91 -2.24 0.23 -0.70 -4.10 115.26 105.79 1uks n ASN 374 Ca 0.03 -1.76 -0.17 0.00 -0.53 0.00 0.00 54.58 52.15 1uks n ASN 374 Cb 0.26 -0.12 0.05 0.00 -2.08 0.00 0.00 39.78 37.89 1uks n ASN 374 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1uks n ARG 375 N 0.18 3.10 -1.42 -3.83 3.00 -0.29 -4.91 116.66 112.51 1uks n ARG 375 Ca 0.14 -3.95 -0.30 0.00 -0.01 0.00 0.00 57.85 53.72 1uks n ARG 375 Cb 0.27 -2.09 0.10 0.00 0.00 0.00 0.00 32.46 30.74 1uks n ARG 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1uks s ALA 376 N -3.51 2.11 0.32 7.54 0.00 -1.26 -4.89 121.76 122.07 1uks s ALA 376 Ca 0.47 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1uks s ALA 376 Cb 0.40 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1uks s ALA 376 CO 0.01 -1.84 1.25 0.50 0.00 0.00 0.00 175.76 175.68 1uks s ARG 377 N -5.04 4.40 0.19 0.00 3.52 -1.26 -4.91 118.95 115.85 1uks s ARG 377 Ca 0.61 2.09 -0.30 0.00 -0.13 0.00 0.00 55.73 58.00 1uks s ARG 377 Cb -0.16 -3.07 -0.08 0.00 -1.56 0.00 0.00 34.95 30.08 1uks s ARG 377 CO 0.55 -0.10 1.22 -0.48 -0.81 0.00 0.00 175.30 175.68 1uks s LEU 378 N -1.76 4.44 0.29 -0.88 2.34 -0.89 -4.89 118.68 117.34 1uks s LEU 378 Ca 0.48 2.27 0.25 0.00 0.06 0.00 0.00 54.13 57.19 1uks s LEU 378 Cb -0.37 -3.61 0.65 0.00 -0.56 0.00 0.00 46.19 42.30 1uks s LEU 378 CO 0.49 -0.40 1.72 1.55 -1.06 0.00 0.00 176.35 178.65 1uks h PRO 379 N 5.24 0.00 -2.12 1.48 0.13 -1.93 -3.47 132.00 131.33 1uks h PRO 379 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1uks h PRO 379 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1uks h PRO 379 CO 0.75 0.00 0.37 0.45 -0.23 0.00 0.00 178.00 179.34 1uks s SER 380 N -5.13 -0.49 -0.29 1.44 0.15 -1.26 -5.04 113.70 103.09 1uks s SER 380 Ca 0.09 0.32 0.08 0.00 0.70 0.00 0.00 55.95 57.14 1uks s SER 380 Cb 0.10 0.44 0.45 0.00 -1.71 0.00 0.00 66.02 65.30 1uks s SER 380 CO 0.62 -0.60 1.28 0.49 1.20 0.00 0.00 173.24 176.23 1uks n PHE 381 N 0.33 1.89 -1.87 3.44 3.72 -1.26 -4.96 117.46 118.76 1uks n PHE 381 Ca -0.13 -2.02 -0.42 0.00 -0.05 0.00 0.00 57.45 54.83 1uks n PHE 381 Cb 0.60 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1uks n PHE 381 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uks s SER 382 N -3.30 6.52 0.00 4.37 0.15 -1.26 -4.90 113.70 115.28 1uks s SER 382 Ca 0.48 2.70 0.21 0.00 0.70 0.00 0.00 55.95 60.04 1uks s SER 382 Cb 0.41 -2.60 0.53 0.00 -1.71 0.00 0.00 66.02 62.64 1uks s SER 382 CO 0.00 -0.87 1.44 1.07 1.20 0.00 0.00 173.24 176.09 1uks n THR 383 N 3.95 0.51 -0.40 6.45 5.66 -1.26 -4.38 114.28 124.80 1uks n THR 383 Ca 0.14 -0.67 0.04 0.00 -3.05 0.00 0.00 64.05 60.51 1uks n THR 383 Cb 0.37 0.68 0.05 0.00 -1.55 0.00 0.00 70.33 69.89 1uks n THR 383 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1uks n THR 384 N 1.16 1.31 -2.09 1.09 -2.24 -1.26 -4.77 114.28 107.47 1uks n THR 384 Ca 0.19 -1.44 -0.33 0.00 -2.27 0.00 0.00 64.05 60.19 1uks n THR 384 Cb 0.51 0.24 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 1uks n THR 384 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uks s THR 385 N -1.66 3.56 0.21 4.28 -4.23 -1.26 -4.89 115.64 111.65 1uks s THR 385 Ca 0.11 0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 61.34 1uks s THR 385 Cb 0.10 -3.31 0.15 0.00 1.34 0.00 0.00 72.50 70.78 1uks s THR 385 CO 0.01 -0.37 1.83 0.74 -0.54 0.00 0.00 174.62 176.29 1uks h THR 386 N 0.64 1.02 -0.92 3.99 2.02 -1.96 -1.85 112.91 115.85 1uks h THR 386 Ca -0.48 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.46 1uks h THR 386 Cb 1.23 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1uks h THR 386 CO 0.57 0.14 0.61 0.00 0.37 0.00 0.00 175.52 177.20 1uks h ALA 387 N 1.34 1.39 -0.60 6.16 0.00 -1.92 0.14 119.26 125.76 1uks h ALA 387 Ca 0.30 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1uks h ALA 387 Cb 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1uks h ALA 387 CO -0.16 0.54 0.18 -0.92 0.00 0.00 0.00 179.25 178.90 1uks h TYR 388 N 1.19 0.98 -0.27 0.00 3.20 -1.52 -2.50 116.97 118.06 1uks h TYR 388 Ca 0.35 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 1uks h TYR 388 Cb -0.05 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1uks h TYR 388 CO -0.00 0.82 -0.20 1.96 -1.64 0.00 0.00 178.16 179.10 1uks h GLN 389 N 0.87 0.48 -0.44 1.82 4.20 -0.49 -1.08 115.11 120.47 1uks h GLN 389 Ca 0.19 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1uks h GLN 389 Cb 0.30 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1uks h GLN 389 CO -0.00 0.66 0.18 0.28 -0.67 0.00 0.00 178.83 179.27 1uks h VAL 390 N 0.44 1.20 -0.39 -0.54 2.07 -0.52 -1.35 116.25 117.16 1uks h VAL 390 Ca 0.07 -0.63 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 1uks h VAL 390 Cb 0.60 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1uks h VAL 390 CO 0.04 0.23 -0.28 0.40 0.02 0.00 0.00 177.57 177.98 1uks h ILE 391 N 0.57 1.28 -0.96 4.57 2.04 -1.21 -2.14 117.51 121.65 1uks h ILE 391 Ca 0.15 -1.45 0.05 0.00 1.00 0.00 0.00 64.86 64.61 1uks h ILE 391 Cb 0.19 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1uks h ILE 391 CO -0.01 0.48 0.62 -0.61 0.00 0.00 0.00 178.15 178.64 1uks h GLN 392 N 0.69 1.11 0.11 2.37 4.15 -1.02 0.15 115.11 122.67 1uks h GLN 392 Ca 0.07 -0.07 -0.26 0.00 0.77 0.00 0.00 58.65 59.16 1uks h GLN 392 Cb 0.86 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1uks h GLN 392 CO 0.08 0.74 -1.19 0.87 -1.93 0.00 0.00 178.83 177.39 1uks h LYS 393 N 1.15 0.28 0.02 1.69 1.79 -1.14 -3.40 116.57 116.96 1uks h LYS 393 Ca 0.40 -0.45 -0.34 0.00 -2.18 0.00 0.00 60.65 58.09 1uks h LYS 393 Cb 0.12 0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 1uks h LYS 393 CO -0.14 1.19 -2.02 1.28 -1.08 0.00 0.00 179.45 178.67 1uks n LEU 394 N -3.56 1.18 -0.37 2.94 4.77 -0.82 -4.40 117.00 116.75 1uks n LEU 394 Ca -0.08 0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1uks n LEU 394 Cb 0.99 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 42.13 1uks n LEU 394 CO 0.53 0.56 1.29 0.00 -1.33 0.00 0.00 177.39 178.44 1uks h ALA 395 N 0.73 1.34 -0.16 -1.18 0.00 -0.92 -1.29 119.26 117.77 1uks h ALA 395 Ca -0.41 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1uks h ALA 395 Cb 2.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1uks h ALA 395 CO 0.05 0.58 0.16 -1.35 0.00 0.00 0.00 179.25 178.70 1uks h PRO 396 N 1.28 0.00 0.00 0.00 0.11 -1.77 -2.73 132.00 128.89 1uks h PRO 396 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1uks h PRO 396 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1uks h PRO 396 CO -0.11 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.61 1uks h LEU 397 N 0.00 0.00 -0.83 2.35 3.38 -1.46 -1.53 115.31 117.21 1uks h LEU 397 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1uks h LEU 397 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1uks h LEU 397 CO -0.00 0.00 -0.57 0.03 0.09 0.00 0.00 178.44 177.99 1uks h ARG 398 N 0.00 0.00 0.18 1.13 3.08 -1.63 0.16 114.38 117.31 1uks h ARG 398 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 1uks h ARG 398 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1uks h ARG 398 CO 0.00 0.57 -1.51 0.87 -1.07 0.00 0.00 179.97 178.83 1uks h LYS 399 N 0.00 0.38 0.00 0.04 1.79 -1.37 -3.40 116.57 114.01 1uks h LYS 399 Ca -0.01 -0.65 -0.10 0.00 -2.18 0.00 0.00 60.65 57.71 1uks h LYS 399 Cb 1.03 0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 1uks h LYS 399 CO 0.07 1.29 -1.34 -1.13 -1.08 0.00 0.00 179.45 177.26 1uks n SER 400 N -3.58 0.76 -4.08 0.86 3.41 -0.92 -4.77 113.62 105.30 1uks n SER 400 Ca -0.17 0.32 -0.33 0.00 -0.26 0.00 0.00 58.87 58.43 1uks n SER 400 Cb 1.07 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 65.32 1uks n SER 400 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1uks s ASN 401 N -5.51 4.80 0.64 4.04 3.84 0.56 -4.98 114.94 118.33 1uks s ASN 401 Ca -0.03 -1.77 0.37 0.00 0.21 0.00 0.00 52.86 51.63 1uks s ASN 401 Cb 0.09 -1.66 2.04 0.00 -0.55 0.00 0.00 41.25 41.17 1uks s ASN 401 CO 0.81 -0.34 2.22 1.55 -2.79 0.00 0.00 177.10 178.55 1uks h PRO 402 N 7.81 0.00 -0.51 0.43 0.13 -1.85 -1.32 132.00 136.70 1uks h PRO 402 Ca -0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.93 1uks h PRO 402 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1uks h PRO 402 CO 0.54 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.33 1uks h ALA 403 N 1.83 1.09 -0.07 -0.56 0.00 -1.82 0.43 119.26 120.17 1uks h ALA 403 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1uks h ALA 403 Cb 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1uks h ALA 403 CO -0.00 0.58 -0.53 0.82 0.00 0.00 0.00 179.25 180.12 1uks h ILE 404 N 0.78 1.39 -0.31 0.00 2.04 -1.54 0.13 117.51 120.00 1uks h ILE 404 Ca 0.15 -1.90 -0.13 0.00 1.00 0.00 0.00 64.86 63.99 1uks h ILE 404 Cb 0.44 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1uks h ILE 404 CO 0.02 0.56 -0.33 0.00 0.00 0.00 0.00 178.15 178.40 1uks h ALA 405 N 0.42 0.84 0.00 1.87 0.00 -1.45 -3.40 119.26 117.54 1uks h ALA 405 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1uks h ALA 405 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1uks h ALA 405 CO 0.11 0.64 -0.20 0.66 0.00 0.00 0.00 179.25 180.45 1uks n TYR 406 N -4.07 0.00 -1.50 0.00 4.02 0.14 -4.64 117.16 111.11 1uks n TYR 406 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 1uks n TYR 406 Cb 0.49 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.89 1uks n TYR 406 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1uks s GLY 407 N -0.89 1.64 0.97 2.72 0.00 0.44 -4.95 107.32 107.25 1uks s GLY 407 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.52 1uks s GLY 407 CO 0.00 0.32 1.09 -1.35 0.00 0.00 0.00 173.10 173.16 1uks s SER 408 N -3.79 2.81 -0.09 1.64 1.04 -0.87 -4.67 113.70 109.78 1uks s SER 408 Ca 0.60 1.34 0.03 0.00 0.48 0.00 0.00 55.95 58.40 1uks s SER 408 Cb -0.15 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 63.96 1uks s SER 408 CO 0.55 -3.03 -0.18 -0.89 0.98 0.00 0.00 173.24 170.66 1uks s THR 409 N -2.91 1.63 -0.11 2.02 2.01 -1.26 -2.21 115.64 114.81 1uks s THR 409 Ca 0.65 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1uks s THR 409 Cb -0.19 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 70.91 1uks s THR 409 CO 0.58 0.46 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.66 1uks s HIS 410 N 0.60 1.13 -0.13 4.92 5.04 -0.10 -4.96 115.29 121.79 1uks s HIS 410 Ca -0.15 -0.54 -0.29 0.00 -1.54 0.00 0.00 55.06 52.54 1uks s HIS 410 Cb -0.17 -1.04 -0.02 0.00 0.04 0.00 0.00 32.58 31.39 1uks s HIS 410 CO 0.05 -0.45 1.18 -2.00 -2.34 0.00 0.00 174.74 171.17 1uks s GLU 411 N 1.82 4.30 -0.14 2.88 -6.30 -1.26 -0.30 118.70 119.71 1uks s GLU 411 Ca 0.04 1.59 0.17 0.00 -2.50 0.00 0.00 54.97 54.28 1uks s GLU 411 Cb -0.13 -3.64 -0.24 0.00 0.00 0.00 0.00 34.13 30.11 1uks s GLU 411 CO -0.07 -0.55 0.16 0.54 0.02 0.00 0.00 175.26 175.35 1uks n ARG 412 N 5.85 0.92 -3.74 4.30 5.12 0.16 -4.95 116.66 124.32 1uks n ARG 412 Ca 0.12 -0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.85 1uks n ARG 412 Cb 0.46 -1.47 -0.09 0.00 -1.16 0.00 0.00 32.46 30.20 1uks n ARG 412 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1uks s TRP 413 N -2.67 -0.28 -0.00 -1.55 -0.00 -1.08 -4.71 118.94 108.65 1uks s TRP 413 Ca -0.09 0.52 -0.28 0.00 -0.00 0.00 0.00 56.10 56.25 1uks s TRP 413 Cb 0.07 0.13 0.08 0.00 -0.00 0.00 0.00 33.47 33.76 1uks s TRP 413 CO 0.76 -0.36 0.74 -1.50 -0.00 0.00 0.00 176.95 176.60 1uks s ILE 414 N -0.95 0.00 0.06 5.86 2.07 -1.26 -1.30 121.20 125.68 1uks s ILE 414 Ca -0.10 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.12 1uks s ILE 414 Cb -0.04 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.56 1uks s ILE 414 CO 0.04 0.00 0.11 -0.46 -1.91 0.00 0.00 174.94 172.72 1uks n ASN 415 N 0.33 -0.32 -0.07 4.50 0.23 -0.62 -4.98 115.26 114.33 1uks n ASN 415 Ca -0.15 -1.25 0.18 0.00 -0.53 0.00 0.00 54.58 52.83 1uks n ASN 415 Cb 0.60 0.53 0.60 0.00 -2.08 0.00 0.00 39.78 39.44 1uks n ASN 415 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1uks h ASN 416 N 0.30 0.18 -0.00 0.53 4.21 -1.98 -3.17 115.58 115.64 1uks h ASN 416 Ca -0.05 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1uks h ASN 416 Cb 0.18 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1uks h ASN 416 CO 0.06 0.09 -0.04 0.47 -1.29 0.00 0.00 177.43 176.72 1uks n ASP 417 N -4.42 0.65 -4.14 5.81 8.00 -1.26 -1.87 116.55 119.32 1uks n ASP 417 Ca 0.12 -0.83 -0.24 0.00 0.71 0.00 0.00 54.79 54.55 1uks n ASP 417 Cb 0.57 0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 42.00 1uks n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1uks s VAL 418 N -0.66 1.31 -0.00 2.53 1.01 -1.20 -0.66 120.40 122.73 1uks s VAL 418 Ca 0.02 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1uks s VAL 418 Cb 0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1uks s VAL 418 CO 0.05 0.37 -0.06 -0.51 0.00 0.00 0.00 175.10 174.96 1uks s ILE 419 N -0.23 0.44 -0.15 2.22 2.07 -0.84 -1.58 121.20 123.12 1uks s ILE 419 Ca 0.03 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1uks s ILE 419 Cb -0.08 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.15 1uks s ILE 419 CO 0.00 0.08 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.35 1uks s ILE 420 N -0.24 1.52 0.27 2.00 1.01 -0.42 -1.36 121.20 123.98 1uks s ILE 420 Ca 0.01 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.11 1uks s ILE 420 Cb -0.03 -1.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 1uks s ILE 420 CO -0.00 0.41 -0.14 -0.72 0.00 0.00 0.00 174.94 174.48 1uks s TYR 421 N 1.50 2.08 -0.00 3.97 1.13 -0.53 -0.67 117.35 124.84 1uks s TYR 421 Ca 0.04 -0.49 0.08 0.00 -1.41 0.00 0.00 57.07 55.29 1uks s TYR 421 Cb -0.13 -1.01 -0.02 0.00 -1.10 0.00 0.00 41.96 39.69 1uks s TYR 421 CO -0.10 0.52 -0.24 -2.00 -2.51 0.00 0.00 175.55 171.22 1uks s GLU 422 N -3.60 1.91 -0.10 -3.49 2.12 0.59 -1.32 118.70 114.81 1uks s GLU 422 Ca 0.28 -0.91 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 1uks s GLU 422 Cb -0.01 -1.89 -0.03 0.00 0.26 0.00 0.00 34.13 32.46 1uks s GLU 422 CO 0.12 0.51 -0.08 1.03 -0.54 0.00 0.00 175.26 176.31 1uks s ARG 423 N -0.71 3.05 -0.03 4.30 1.81 0.38 -0.93 118.95 126.81 1uks s ARG 423 Ca 0.10 -0.58 -0.01 0.00 -1.72 0.00 0.00 55.73 53.52 1uks s ARG 423 Cb -0.09 -2.65 0.03 0.00 -0.45 0.00 0.00 34.95 31.78 1uks s ARG 423 CO -0.00 0.49 0.04 0.21 -0.68 0.00 0.00 175.30 175.36 1uks s LYS 424 N -0.34 -0.05 -0.27 3.54 2.47 -0.94 -1.66 119.74 122.49 1uks s LYS 424 Ca 0.05 0.26 -0.03 0.00 -1.56 0.00 0.00 55.97 54.68 1uks s LYS 424 Cb -0.12 -0.33 0.10 0.00 -1.46 0.00 0.00 37.83 36.02 1uks s LYS 424 CO 0.02 -0.22 0.18 0.12 0.16 0.00 0.00 175.35 175.61 1uks s PHE 425 N 1.43 0.05 0.00 4.03 5.36 -0.70 -2.04 117.98 126.11 1uks s PHE 425 Ca -0.05 -0.54 0.00 0.00 -0.96 0.00 0.00 56.93 55.38 1uks s PHE 425 Cb -0.13 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.83 1uks s PHE 425 CO -0.03 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.34 1uks n GLY 426 N 5.27 3.49 0.94 13.12 0.00 -1.26 -1.67 105.19 125.08 1uks n GLY 426 Ca -0.05 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1uks n GLY 426 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uks n ASN 427 N 8.54 3.59 -4.80 1.61 3.02 -1.26 -4.91 115.26 121.05 1uks n ASN 427 Ca 0.00 -2.33 -0.39 0.00 -0.03 0.00 0.00 54.58 51.84 1uks n ASN 427 Cb 0.00 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.72 1uks n ASN 427 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uks s ASN 428 N -1.21 7.12 -0.01 6.41 0.01 -0.67 -4.56 114.94 122.04 1uks s ASN 428 Ca 0.35 1.34 -0.09 0.00 -0.71 0.00 0.00 52.86 53.75 1uks s ASN 428 Cb 0.22 -2.39 0.01 0.00 0.41 0.00 0.00 41.25 39.50 1uks s ASN 428 CO 0.17 0.25 0.18 0.54 -1.51 0.00 0.00 177.10 176.73 1uks s VAL 429 N -1.14 0.07 -0.01 1.60 0.11 -0.28 -1.71 120.40 119.03 1uks s VAL 429 Ca 0.31 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1uks s VAL 429 Cb -0.20 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1uks s VAL 429 CO 0.21 -0.32 -0.06 0.00 -3.33 0.00 0.00 175.10 171.59 1uks s ALA 430 N -1.23 0.55 -0.06 1.54 0.00 -0.66 -1.22 121.76 120.68 1uks s ALA 430 Ca -0.13 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1uks s ALA 430 Cb -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1uks s ALA 430 CO 0.02 0.12 -0.20 0.08 0.00 0.00 0.00 175.76 175.77 1uks s VAL 431 N -0.02 1.71 -0.05 0.00 1.01 0.08 -0.47 120.40 122.66 1uks s VAL 431 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1uks s VAL 431 Cb -0.04 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1uks s VAL 431 CO -0.00 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 1uks s VAL 432 N 0.07 1.16 -0.09 2.92 1.01 -0.44 -0.83 120.40 124.21 1uks s VAL 432 Ca -0.07 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1uks s VAL 432 Cb -0.14 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1uks s VAL 432 CO 0.04 0.35 -0.22 0.00 0.00 0.00 0.00 175.10 175.27 1uks s ALA 433 N 0.37 2.03 -0.04 5.51 0.00 -0.51 -1.45 121.76 127.66 1uks s ALA 433 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1uks s ALA 433 Cb -0.13 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1uks s ALA 433 CO 0.03 0.28 -0.04 0.42 0.00 0.00 0.00 175.76 176.45 1uks s ILE 434 N 0.31 0.50 -0.34 0.00 1.01 -0.46 -2.09 121.20 120.13 1uks s ILE 434 Ca -0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1uks s ILE 434 Cb -0.17 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 41.84 1uks s ILE 434 CO 0.07 0.22 0.07 0.21 0.00 0.00 0.00 174.94 175.52 1uks s ASN 435 N 0.98 5.01 0.00 3.58 3.04 -0.05 -1.99 114.94 125.50 1uks s ASN 435 Ca -0.10 -1.58 0.28 0.00 0.04 0.00 0.00 52.86 51.51 1uks s ASN 435 Cb -0.14 -1.75 1.39 0.00 -1.54 0.00 0.00 41.25 39.21 1uks s ASN 435 CO -0.00 -0.36 1.97 -2.11 -3.04 0.00 0.00 177.10 173.56 1uks n ARG 436 N 4.59 0.32 -2.76 0.43 1.85 0.17 -2.98 116.66 118.28 1uks n ARG 436 Ca -0.08 0.02 -0.42 0.00 -1.00 0.00 0.00 57.85 56.36 1uks n ARG 436 Cb 0.43 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.31 1uks n ARG 436 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1uks s ASN 437 N -2.66 7.16 0.00 2.89 3.84 -1.26 -4.76 114.94 120.15 1uks s ASN 437 Ca 0.24 1.42 0.28 0.00 0.21 0.00 0.00 52.86 55.01 1uks s ASN 437 Cb 0.19 -2.52 1.01 0.00 -0.55 0.00 0.00 41.25 39.37 1uks s ASN 437 CO 0.45 -0.41 1.74 0.23 -2.79 0.00 0.00 177.10 176.33 1uks n MET 438 N 4.94 0.30 0.00 0.43 2.81 -1.26 -1.10 117.12 123.23 1uks n MET 438 Ca 0.07 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 1uks n MET 438 Cb 0.49 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1uks n MET 438 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1uks n ASN 439 N -1.26 0.01 -4.28 7.83 0.23 -1.26 -4.58 115.26 111.96 1uks n ASN 439 Ca 0.10 -0.33 -0.35 0.00 -0.53 0.00 0.00 54.58 53.47 1uks n ASN 439 Cb 0.31 0.61 -0.14 0.00 -2.08 0.00 0.00 39.78 38.49 1uks n ASN 439 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uks s THR 440 N -0.61 3.23 0.75 5.53 2.01 -1.26 -4.89 115.64 120.40 1uks s THR 440 Ca 0.00 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 1uks s THR 440 Cb 0.00 -2.53 0.05 0.00 0.01 0.00 0.00 72.50 70.03 1uks s THR 440 CO 0.00 0.34 1.23 -2.16 -0.69 0.00 0.00 174.62 173.34 1uks s PRO 441 N 1.43 1.99 -0.11 4.92 0.04 -1.26 -4.29 135.00 137.71 1uks s PRO 441 Ca 0.04 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1uks s PRO 441 Cb -0.15 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1uks s PRO 441 CO -0.04 -1.97 -0.16 0.00 0.04 0.00 0.00 177.00 174.88 1uks s ALA 442 N -1.93 2.53 -0.35 8.56 0.00 -0.00 -4.94 121.76 125.62 1uks s ALA 442 Ca 0.76 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 1uks s ALA 442 Cb -0.31 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1uks s ALA 442 CO 0.47 0.30 0.82 0.45 0.00 0.00 0.00 175.76 177.79 1uks s SER 443 N 0.20 6.60 -0.28 0.00 0.15 -1.26 -0.62 113.70 118.50 1uks s SER 443 Ca -0.10 0.47 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 1uks s SER 443 Cb -0.16 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1uks s SER 443 CO 0.06 -0.74 0.31 -0.63 1.20 0.00 0.00 173.24 173.44 1uks s ILE 444 N 3.15 5.22 0.02 6.45 -1.09 -0.33 -5.01 121.20 129.61 1uks s ILE 444 Ca 0.33 0.39 0.04 0.00 -2.23 0.00 0.00 60.65 59.18 1uks s ILE 444 Cb -0.13 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.08 1uks s ILE 444 CO 0.16 0.17 -0.11 0.42 -1.23 0.00 0.00 174.94 174.35 1uks s THR 445 N 1.96 0.88 0.00 2.92 -4.23 -1.26 -2.85 115.64 113.06 1uks s THR 445 Ca 0.12 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1uks s THR 445 Cb -0.16 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1uks s THR 445 CO 0.10 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1uks n GLY 446 N 2.31 0.53 3.69 3.99 0.00 -1.26 -5.01 105.19 109.44 1uks n GLY 446 Ca -0.16 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1uks n GLY 446 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uks s LEU 447 N 0.00 4.30 -0.05 0.99 2.96 -1.26 -4.99 118.68 120.64 1uks s LEU 447 Ca 0.00 1.91 0.06 0.00 -0.22 0.00 0.00 54.13 55.88 1uks s LEU 447 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1uks s LEU 447 CO 0.00 -0.58 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.53 1uks s VAL 448 N 2.01 2.26 0.34 1.68 1.01 -1.26 -1.58 120.40 124.86 1uks s VAL 448 Ca 0.58 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1uks s VAL 448 Cb -0.27 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1uks s VAL 448 CO 0.24 0.57 0.16 0.42 0.00 0.00 0.00 175.10 176.49 1uks s THR 449 N -0.39 0.43 -1.53 3.92 -4.23 -0.02 -4.93 115.64 108.90 1uks s THR 449 Ca 0.03 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.71 1uks s THR 449 Cb -0.12 -2.48 0.58 0.00 1.34 0.00 0.00 72.50 71.82 1uks s THR 449 CO 0.02 0.00 1.47 -1.20 -0.54 0.00 0.00 174.62 174.37 1uks n SER 450 N -1.09 3.73 -4.74 3.99 7.64 -1.26 -4.19 113.62 117.70 1uks n SER 450 Ca -0.01 -2.22 -0.41 0.00 1.01 0.00 0.00 58.87 57.24 1uks n SER 450 Cb 0.65 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1uks n SER 450 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uks s LEU 451 N -1.37 4.49 1.00 -3.43 1.43 -1.26 -4.98 118.68 114.57 1uks s LEU 451 Ca 0.42 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 1uks s LEU 451 Cb 0.25 -3.61 0.19 0.00 0.03 0.00 0.00 46.19 43.05 1uks s LEU 451 CO 0.23 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.49 1uks s PRO 452 N -0.57 0.34 0.45 1.29 0.04 -1.26 -4.07 135.00 131.21 1uks s PRO 452 Ca 0.49 1.16 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 1uks s PRO 452 Cb -0.31 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1uks s PRO 452 CO 0.37 -2.97 1.28 -0.98 0.04 0.00 0.00 177.00 174.74 1uks s ARG 453 N -4.63 3.76 0.00 4.56 1.70 -1.26 -4.84 118.95 118.24 1uks s ARG 453 Ca 0.67 2.08 0.00 0.00 -0.47 0.00 0.00 55.73 58.00 1uks s ARG 453 Cb -0.23 -2.57 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 1uks s ARG 453 CO 0.60 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 1uks n GLY 454 N 0.62 0.32 3.12 3.88 0.00 -0.77 -4.98 105.19 107.39 1uks n GLY 454 Ca 0.06 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 1uks n GLY 454 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uks s SER 455 N 0.00 5.40 -0.03 1.61 0.01 -1.26 -1.50 113.70 117.92 1uks s SER 455 Ca 0.00 -2.67 -0.30 0.00 1.31 0.00 0.00 55.95 54.29 1uks s SER 455 Cb 0.00 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1uks s SER 455 CO 0.00 -0.43 1.06 -0.31 0.41 0.00 0.00 173.24 173.97 1uks s TYR 456 N 0.20 3.51 0.07 2.43 2.02 0.72 -4.86 117.35 121.45 1uks s TYR 456 Ca 0.15 1.53 -0.20 0.00 -0.37 0.00 0.00 57.07 58.18 1uks s TYR 456 Cb -0.20 -3.23 -0.07 0.00 -0.40 0.00 0.00 41.96 38.06 1uks s TYR 456 CO -0.04 -0.48 0.59 -0.80 -1.57 0.00 0.00 175.55 173.25 1uks s ASN 457 N 1.11 7.08 -0.04 2.29 -0.87 -1.26 -0.92 114.94 122.34 1uks s ASN 457 Ca 0.53 1.28 -0.32 0.00 -1.57 0.00 0.00 52.86 52.78 1uks s ASN 457 Cb -0.22 -2.37 -0.10 0.00 -0.02 0.00 0.00 41.25 38.54 1uks s ASN 457 CO 0.24 0.25 1.94 -0.67 -2.57 0.00 0.00 177.10 176.30 1uks n ASP 458 N 1.82 3.78 0.20 -1.22 2.03 -1.26 -4.70 116.55 117.21 1uks n ASP 458 Ca -0.10 0.91 0.13 0.00 0.52 0.00 0.00 54.79 56.25 1uks n ASP 458 Cb 0.51 -1.45 0.70 0.00 -0.72 0.00 0.00 41.12 40.16 1uks n ASP 458 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1uks h VAL 459 N 5.61 0.83 0.00 5.18 2.07 -1.24 -0.20 116.25 128.50 1uks h VAL 459 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1uks h VAL 459 Cb 1.26 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1uks h VAL 459 CO 0.95 0.00 0.00 0.18 0.02 0.00 0.00 177.57 178.72 1uks n LEU 460 N -4.35 0.00 -2.30 2.57 4.77 -1.26 -4.89 117.00 111.54 1uks n LEU 460 Ca 0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1uks n LEU 460 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1uks n LEU 460 CO 0.33 0.00 -0.24 0.61 -1.33 0.00 0.00 177.39 176.76 1uks n GLY 461 N 0.61 -0.20 2.61 -0.72 0.00 -0.09 -1.85 105.19 105.55 1uks n GLY 461 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1uks n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uks n GLY 462 N -0.90 0.47 0.27 -0.02 0.00 -1.26 -4.91 105.19 98.84 1uks n GLY 462 Ca -0.22 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.96 1uks n GLY 462 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1uks h ILE 463 N 0.00 0.00 -0.66 -0.61 3.07 -1.72 -0.68 117.51 116.92 1uks h ILE 463 Ca 0.00 -0.61 -0.44 0.00 1.55 0.00 0.00 64.86 65.37 1uks h ILE 463 Cb 0.20 1.61 -0.27 0.00 -0.27 0.00 0.00 36.82 38.08 1uks h ILE 463 CO 0.00 0.00 -0.13 0.18 -1.05 0.00 0.00 178.15 177.15 1uks n LEU 464 N -3.09 5.29 -3.10 0.16 4.32 -1.26 -4.93 117.00 114.39 1uks n LEU 464 Ca 0.01 -4.26 -0.23 0.00 -0.02 0.00 0.00 56.01 51.51 1uks n LEU 464 Cb 0.35 -0.61 0.03 0.00 -1.62 0.00 0.00 43.42 41.57 1uks n LEU 464 CO 0.28 1.63 0.01 0.59 -1.22 0.00 0.00 177.39 178.68 1uks n ASN 465 N -0.93 -5.86 -3.74 -1.43 4.13 -0.26 -1.26 115.26 105.92 1uks n ASN 465 Ca 0.45 -0.32 -0.25 0.00 1.68 0.00 0.00 54.58 56.14 1uks n ASN 465 Cb 0.94 -4.73 0.17 0.00 -1.54 0.00 0.00 39.78 34.62 1uks n ASN 465 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uks n GLY 466 N -1.51 -1.19 3.45 7.41 0.00 -1.18 -4.48 105.19 107.69 1uks n GLY 466 Ca -0.10 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 1uks n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uks s ASN 467 N -5.19 0.25 0.35 1.61 4.22 -1.26 -4.50 114.94 110.41 1uks s ASN 467 Ca 0.65 -1.20 -0.26 0.00 -2.14 0.00 0.00 52.86 49.91 1uks s ASN 467 Cb -0.02 0.55 -0.09 0.00 1.28 0.00 0.00 41.25 42.96 1uks s ASN 467 CO 0.45 -1.09 1.03 -0.89 -2.04 0.00 0.00 177.10 174.57 1uks s THR 468 N -3.82 3.79 -0.22 0.54 2.01 -1.26 -4.00 115.64 112.68 1uks s THR 468 Ca 0.29 1.50 -0.06 0.00 0.31 0.00 0.00 61.69 63.73 1uks s THR 468 Cb 0.02 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1uks s THR 468 CO 0.13 0.14 0.04 -0.22 -0.69 0.00 0.00 174.62 174.01 1uks s LEU 469 N -2.19 3.43 -0.27 4.42 2.96 -0.10 -4.95 118.68 121.99 1uks s LEU 469 Ca 0.52 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.17 1uks s LEU 469 Cb -0.24 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1uks s LEU 469 CO 0.30 0.04 0.21 -0.89 -1.32 0.00 0.00 176.35 174.70 1uks s THR 470 N 1.13 5.30 -0.13 3.68 2.01 -1.26 -0.20 115.64 126.17 1uks s THR 470 Ca 0.04 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1uks s THR 470 Cb -0.14 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 1uks s THR 470 CO 0.03 0.25 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.38 1uks s VAL 471 N 1.73 3.05 0.00 3.82 1.01 -0.56 -0.58 120.40 128.87 1uks s VAL 471 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1uks s VAL 471 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1uks s VAL 471 CO 0.10 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1uks n GLY 472 N 3.45 3.02 3.77 4.51 0.00 0.16 -1.84 105.19 118.27 1uks n GLY 472 Ca -0.18 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 1uks n GLY 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks s ALA 473 N -2.52 3.12 -0.86 4.61 0.00 -1.26 -2.66 121.76 122.20 1uks s ALA 473 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1uks s ALA 473 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1uks s ALA 473 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1uks n GLY 474 N 0.54 1.00 2.42 0.00 0.00 -1.26 -2.98 105.19 104.91 1uks n GLY 474 Ca 0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 1uks n GLY 474 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uks n GLY 475 N -1.89 0.39 3.70 -0.02 0.00 -1.09 -4.68 105.19 101.60 1uks n GLY 475 Ca -0.08 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1uks n GLY 475 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks s ALA 476 N -1.66 3.32 0.16 4.61 0.00 -1.16 -0.84 121.76 126.20 1uks s ALA 476 Ca 0.00 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1uks s ALA 476 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1uks s ALA 476 CO 0.00 -0.46 0.59 0.00 0.00 0.00 0.00 175.76 175.90 1uks s ALA 477 N 1.51 3.54 0.41 0.00 0.00 -0.61 -0.67 121.76 125.93 1uks s ALA 477 Ca 0.52 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 1uks s ALA 477 Cb -0.22 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.22 1uks s ALA 477 CO 0.24 0.42 1.12 -1.54 0.00 0.00 0.00 175.76 176.00 1uks s SER 478 N -1.68 6.57 0.61 0.00 1.04 0.26 -4.61 113.70 115.88 1uks s SER 478 Ca 0.39 2.22 -0.20 0.00 0.48 0.00 0.00 55.95 58.84 1uks s SER 478 Cb -0.15 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 1uks s SER 478 CO 0.20 -0.63 1.33 0.59 0.98 0.00 0.00 173.24 175.70 1uks n ASN 479 N -0.04 2.35 -3.96 7.02 3.02 -1.26 -4.73 115.26 117.66 1uks n ASN 479 Ca 0.05 0.89 -0.09 0.00 -0.03 0.00 0.00 54.58 55.40 1uks n ASN 479 Cb 0.48 -1.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.03 1uks n ASN 479 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1uks s PHE 480 N -1.34 0.28 -0.18 3.10 -0.12 -1.13 -5.03 117.98 113.57 1uks s PHE 480 Ca 0.78 -0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1uks s PHE 480 Cb -0.40 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.21 1uks s PHE 480 CO 0.44 -0.98 -0.10 0.99 -0.05 0.00 0.00 175.22 175.52 1uks s THR 481 N -3.99 3.13 -0.28 -4.49 2.01 -1.26 -1.19 115.64 109.56 1uks s THR 481 Ca 0.20 -0.60 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1uks s THR 481 Cb -0.01 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1uks s THR 481 CO 0.07 0.48 0.70 -0.22 -0.69 0.00 0.00 174.62 174.96 1uks s LEU 482 N 0.94 4.09 0.75 4.42 2.96 0.21 -4.90 118.68 127.15 1uks s LEU 482 Ca -0.02 0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 54.39 1uks s LEU 482 Cb -0.15 -2.94 -0.00 0.00 0.50 0.00 0.00 46.19 43.60 1uks s LEU 482 CO -0.00 -0.48 0.78 0.00 -1.32 0.00 0.00 176.35 175.33 1uks n ALA 483 N 5.93 -0.87 -1.67 5.97 0.00 -1.26 -0.82 120.51 127.78 1uks n ALA 483 Ca 0.01 -0.25 -0.46 0.00 0.00 0.00 0.00 53.44 52.74 1uks n ALA 483 Cb 0.48 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 1uks n ALA 483 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1uks n PRO 484 N -1.56 2.17 -0.88 0.00 -0.02 -1.26 -0.76 135.00 132.68 1uks n PRO 484 Ca 0.11 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1uks n PRO 484 Cb 0.50 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1uks n PRO 484 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uks n GLY 485 N 3.47 0.52 3.76 -1.23 0.00 -0.26 -4.90 105.19 106.55 1uks n GLY 485 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1uks n GLY 485 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uks s GLY 486 N -2.00 2.76 -0.07 -0.02 0.00 0.06 -4.73 107.32 103.32 1uks s GLY 486 Ca 0.00 1.37 -0.03 0.00 0.00 0.00 0.00 44.72 46.06 1uks s GLY 486 CO 0.00 2.13 0.15 -1.59 0.00 0.00 0.00 173.10 173.79 1uks s THR 487 N -0.77 -0.11 0.03 0.90 2.01 -0.39 -0.88 115.64 116.44 1uks s THR 487 Ca 0.53 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.78 1uks s THR 487 Cb -0.42 -0.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1uks s THR 487 CO 0.53 0.09 -0.06 0.00 -0.69 0.00 0.00 174.62 174.49 1uks s ALA 488 N 1.49 0.42 -0.05 7.40 0.00 -0.89 -3.10 121.76 127.04 1uks s ALA 488 Ca -0.06 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1uks s ALA 488 Cb -0.12 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1uks s ALA 488 CO -0.06 -0.06 -0.05 0.08 0.00 0.00 0.00 175.76 175.67 1uks s VAL 489 N -1.36 0.57 0.09 0.00 1.01 -1.26 -1.43 120.40 118.02 1uks s VAL 489 Ca -0.12 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1uks s VAL 489 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1uks s VAL 489 CO -0.00 0.24 -0.18 0.26 0.00 0.00 0.00 175.10 175.42 1uks s TRP 490 N 1.05 1.58 0.17 5.22 0.51 -0.01 -0.60 118.94 126.88 1uks s TRP 490 Ca -0.09 -0.43 -0.18 0.00 -2.12 0.00 0.00 56.10 53.28 1uks s TRP 490 Cb -0.14 -0.88 0.04 0.00 -0.81 0.00 0.00 33.47 31.68 1uks s TRP 490 CO -0.01 0.15 0.51 1.14 -0.51 0.00 0.00 176.95 178.23 1uks s GLN 491 N -1.82 1.30 -0.15 4.98 -2.07 -1.26 -0.74 119.66 119.91 1uks s GLN 491 Ca 0.03 -0.76 -0.07 0.00 -1.82 0.00 0.00 55.36 52.74 1uks s GLN 491 Cb -0.10 0.52 0.06 0.00 -1.09 0.00 0.00 33.01 32.40 1uks s GLN 491 CO 0.03 -0.55 0.34 -0.47 -1.32 0.00 0.00 175.29 173.33 1uks s TYR 492 N -3.84 -0.50 0.09 9.60 5.04 -0.35 -5.00 117.35 122.38 1uks s TYR 492 Ca 0.06 1.10 0.10 0.00 -2.44 0.00 0.00 57.07 55.89 1uks s TYR 492 Cb -0.00 0.17 -0.03 0.00 0.35 0.00 0.00 41.96 42.44 1uks s TYR 492 CO -0.06 -0.31 -0.26 0.95 -1.34 0.00 0.00 175.55 174.52 1uks s THR 493 N 1.49 2.15 0.38 4.34 -4.23 -1.26 -1.13 115.64 117.38 1uks s THR 493 Ca -0.08 -1.55 -0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1uks s THR 493 Cb -0.10 -1.88 0.04 0.00 1.34 0.00 0.00 72.50 71.90 1uks s THR 493 CO -0.11 0.22 0.67 0.28 -0.54 0.00 0.00 174.62 175.14 1uks s THR 494 N -0.93 0.00 0.41 3.99 -1.32 -1.26 -5.01 115.64 111.51 1uks s THR 494 Ca 0.12 -1.25 -0.17 0.00 -1.21 0.00 0.00 61.69 59.18 1uks s THR 494 Cb -0.10 -2.84 -0.09 0.00 -1.51 0.00 0.00 72.50 67.96 1uks s THR 494 CO 0.04 0.00 0.87 -1.81 -2.21 0.00 0.00 174.62 171.51 1uks s ASP 495 N -3.16 6.79 -0.15 8.08 1.01 -1.26 -4.76 116.67 123.23 1uks s ASP 495 Ca 0.22 1.48 -0.11 0.00 0.71 0.00 0.00 52.55 54.85 1uks s ASP 495 Cb -0.03 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 1uks s ASP 495 CO 0.16 -0.35 0.23 0.00 0.21 0.00 0.00 175.17 175.41 1uks s ALA 496 N -2.21 3.69 -0.13 5.23 0.00 -1.26 -4.80 121.76 122.27 1uks s ALA 496 Ca 0.58 -0.54 0.18 0.00 0.00 0.00 0.00 51.96 52.18 1uks s ALA 496 Cb -0.10 -2.25 -0.14 0.00 0.00 0.00 0.00 23.12 20.64 1uks s ALA 496 CO 0.19 0.25 0.78 0.25 0.00 0.00 0.00 175.76 177.23 1uks n THR 497 N 3.09 1.08 -4.40 0.00 -2.24 -1.26 -4.17 114.28 106.37 1uks n THR 497 Ca -0.15 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.65 1uks n THR 497 Cb 0.53 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.01 1uks n THR 497 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uks s THR 498 N -2.98 3.36 0.22 4.28 -4.23 -1.26 -4.94 115.64 110.09 1uks s THR 498 Ca -0.03 -1.07 -0.32 0.00 -1.18 0.00 0.00 61.69 59.09 1uks s THR 498 Cb 0.09 -2.50 -0.12 0.00 1.34 0.00 0.00 72.50 71.31 1uks s THR 498 CO 0.82 0.26 1.70 -2.84 -0.54 0.00 0.00 174.62 174.01 1uks s PRO 499 N -1.76 4.13 -0.04 3.99 0.02 -1.00 -4.23 135.00 136.10 1uks s PRO 499 Ca 0.19 2.60 0.01 0.00 0.02 0.00 0.00 61.00 63.81 1uks s PRO 499 Cb -0.11 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1uks s PRO 499 CO 0.10 -0.73 -0.01 0.42 -0.33 0.00 0.00 177.00 176.45 1uks s ILE 500 N 0.98 0.29 -0.22 2.83 1.01 -0.26 -4.11 121.20 121.73 1uks s ILE 500 Ca 0.73 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.25 1uks s ILE 500 Cb -0.49 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1uks s ILE 500 CO 0.35 0.17 0.36 -0.63 0.00 0.00 0.00 174.94 175.19 1uks s ILE 501 N 1.04 5.22 -0.20 2.92 1.01 -1.26 -1.99 121.20 127.93 1uks s ILE 501 Ca -0.10 0.61 0.17 0.00 0.00 0.00 0.00 60.65 61.33 1uks s ILE 501 Cb -0.14 -3.69 -0.24 0.00 0.01 0.00 0.00 42.46 38.40 1uks s ILE 501 CO -0.01 0.26 0.05 0.61 0.00 0.00 0.00 174.94 175.84 1uks n GLY 502 N 4.07 -0.94 3.52 6.18 0.00 0.56 -4.97 105.19 113.62 1uks n GLY 502 Ca -0.09 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 1uks n GLY 502 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uks s ASN 503 N -5.52 -0.55 -0.01 1.61 3.84 -0.91 -4.90 114.94 108.50 1uks s ASN 503 Ca -0.12 0.50 0.02 0.00 0.21 0.00 0.00 52.86 53.47 1uks s ASN 503 Cb 0.06 0.47 -0.00 0.00 -0.55 0.00 0.00 41.25 41.22 1uks s ASN 503 CO 0.80 -0.57 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.78 1uks s VAL 504 N -1.59 0.54 -0.18 -5.21 1.01 -1.26 -0.68 120.40 113.03 1uks s VAL 504 Ca -0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1uks s VAL 504 Cb -0.00 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.98 1uks s VAL 504 CO 0.04 0.15 0.47 -0.83 0.00 0.00 0.00 175.10 174.93 1uks s GLY 505 N -0.14 -0.37 0.85 4.51 0.00 -0.40 -4.62 107.32 107.14 1uks s GLY 505 Ca 0.02 1.52 -0.12 0.00 0.00 0.00 0.00 44.72 46.15 1uks s GLY 505 CO -0.00 1.50 1.10 2.56 0.00 0.00 0.00 173.10 178.26 1uks s PRO 506 N 0.87 1.68 0.00 2.90 0.04 -1.26 -0.61 135.00 138.62 1uks s PRO 506 Ca -0.05 0.60 0.21 0.00 0.04 0.00 0.00 61.00 61.80 1uks s PRO 506 Cb -0.06 -1.88 0.58 0.00 0.04 0.00 0.00 34.50 33.19 1uks s PRO 506 CO -0.07 -1.89 1.49 -1.33 0.04 0.00 0.00 177.00 175.23 1uks n MET 507 N -3.61 2.70 -3.65 4.56 2.81 -1.26 -4.87 117.12 113.80 1uks n MET 507 Ca 0.07 -2.55 -0.08 0.00 -1.81 0.00 0.00 57.70 53.33 1uks n MET 507 Cb 0.57 -1.53 -0.09 0.00 -0.71 0.00 0.00 33.22 31.45 1uks n MET 507 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1uks s MET 508 N -1.06 0.32 0.04 0.03 -2.45 -1.26 -0.90 119.30 114.03 1uks s MET 508 Ca 0.45 1.03 -0.28 0.00 -1.25 0.00 0.00 55.69 55.64 1uks s MET 508 Cb 0.24 0.32 0.09 0.00 1.25 0.00 0.00 34.83 36.73 1uks s MET 508 CO 0.31 -0.26 0.95 0.00 1.05 0.00 0.00 175.02 177.07 1uks s ALA 509 N 2.61 -1.80 0.63 4.11 0.00 -0.92 -4.81 121.76 121.58 1uks s ALA 509 Ca -0.01 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 1uks s ALA 509 Cb -0.12 0.46 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1uks s ALA 509 CO -0.13 -0.81 1.00 -1.59 0.00 0.00 0.00 175.76 174.23 1uks s LYS 510 N -3.11 3.14 0.18 0.00 -2.85 -1.26 -1.07 119.74 114.76 1uks s LYS 510 Ca 0.08 0.40 -0.32 0.00 -1.00 0.00 0.00 55.97 55.13 1uks s LYS 510 Cb -0.01 -2.13 -0.16 0.00 -2.06 0.00 0.00 37.83 33.46 1uks s LYS 510 CO -0.05 -0.74 0.98 -2.30 0.10 0.00 0.00 175.35 173.34 1uks n PRO 511 N -2.76 0.79 0.00 1.78 -0.02 -1.26 -2.80 135.00 130.73 1uks n PRO 511 Ca 0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1uks n PRO 511 Cb 0.56 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1uks n PRO 511 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uks n GLY 512 N 1.81 2.47 3.76 -1.23 0.00 0.16 -4.94 105.19 107.22 1uks n GLY 512 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1uks n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uks s VAL 513 N -2.53 3.29 -0.24 1.61 1.01 -1.12 -4.61 120.40 117.81 1uks s VAL 513 Ca 0.00 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 1uks s VAL 513 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1uks s VAL 513 CO 0.00 0.27 1.00 -0.89 0.00 0.00 0.00 175.10 175.48 1uks s THR 514 N -0.87 4.70 0.31 3.92 2.01 -1.26 -1.17 115.64 123.28 1uks s THR 514 Ca 0.48 1.90 0.07 0.00 0.31 0.00 0.00 61.69 64.45 1uks s THR 514 Cb -0.34 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 1uks s THR 514 CO 0.43 -0.18 0.37 0.27 -0.69 0.00 0.00 174.62 174.82 1uks s ILE 515 N 3.16 4.09 -0.17 1.82 -4.36 -0.06 -4.79 121.20 120.89 1uks s ILE 515 Ca 0.42 -1.16 0.01 0.00 -0.26 0.00 0.00 60.65 59.66 1uks s ILE 515 Cb -0.15 -3.40 0.01 0.00 1.25 0.00 0.00 42.46 40.18 1uks s ILE 515 CO 0.07 -0.20 -0.19 -0.89 0.24 0.00 0.00 174.94 173.97 1uks s THR 516 N -2.19 2.23 -0.20 8.37 2.01 0.21 -2.36 115.64 123.72 1uks s THR 516 Ca 0.41 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1uks s THR 516 Cb -0.08 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1uks s THR 516 CO 0.29 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 174.02 1uks s ILE 517 N 1.14 2.93 0.05 1.82 1.01 -0.28 -1.27 121.20 126.59 1uks s ILE 517 Ca 0.01 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1uks s ILE 517 Cb -0.14 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1uks s ILE 517 CO -0.08 0.46 -0.12 -1.81 0.00 0.00 0.00 174.94 173.39 1uks s ASP 518 N 1.39 4.22 0.00 3.58 -0.00 0.15 -0.95 116.67 125.06 1uks s ASP 518 Ca 0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 52.55 52.28 1uks s ASP 518 Cb -0.14 -0.82 0.00 0.00 -0.00 0.00 0.00 42.92 41.96 1uks s ASP 518 CO -0.06 0.24 0.00 0.61 -0.00 0.00 0.00 175.17 175.96 1uks n GLY 519 N 1.33 -0.98 3.22 0.21 0.00 -0.35 -0.32 105.19 108.30 1uks n GLY 519 Ca -0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1uks n GLY 519 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uks s ARG 520 N -0.22 0.78 -0.09 1.61 1.81 -0.84 -4.26 118.95 117.73 1uks s ARG 520 Ca 0.00 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 1uks s ARG 520 Cb 0.00 0.33 0.00 0.00 -0.45 0.00 0.00 34.95 34.83 1uks s ARG 520 CO 0.00 -0.24 0.00 0.41 -0.68 0.00 0.00 175.30 174.79 1uks n GLY 521 N 0.52 0.48 0.17 -3.53 0.00 -1.14 -1.11 105.19 100.59 1uks n GLY 521 Ca -0.18 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1uks n GLY 521 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1uks h PHE 522 N 0.00 0.00 0.00 1.61 0.05 -1.72 -2.66 116.94 114.21 1uks h PHE 522 Ca -0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.77 1uks h PHE 522 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.04 1uks h PHE 522 CO 0.04 0.44 0.00 0.41 -0.18 0.00 0.00 178.31 179.02 1uks n GLY 523 N 0.32 -0.85 0.09 -1.45 0.00 -1.26 -4.50 105.19 97.53 1uks n GLY 523 Ca -0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1uks n GLY 523 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uks h SER 524 N 0.00 0.19 -3.11 1.61 0.02 -1.92 -3.00 113.55 107.34 1uks h SER 524 Ca 0.00 -0.19 -0.59 0.00 -0.84 0.00 0.00 61.79 60.16 1uks h SER 524 Cb 0.00 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1uks h SER 524 CO 0.00 1.12 -0.22 -0.83 -1.14 0.00 0.00 176.83 175.76 1uks s GLY 525 N -4.66 2.38 0.20 -3.77 0.00 -1.26 -4.73 107.32 95.48 1uks s GLY 525 Ca -0.01 -0.32 -0.33 0.00 0.00 0.00 0.00 44.72 44.06 1uks s GLY 525 CO 0.84 -0.06 1.56 0.28 0.00 0.00 0.00 173.10 175.73 1uks n LYS 526 N 1.10 2.29 0.00 2.90 5.02 -1.26 -4.23 118.16 123.98 1uks n LYS 526 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1uks n LYS 526 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 1uks n LYS 526 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uks n GLY 527 N 3.08 3.18 3.16 0.72 0.00 -1.26 -4.40 105.19 109.67 1uks n GLY 527 Ca 0.15 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1uks n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uks s THR 528 N 4.18 1.29 -0.12 2.61 2.01 0.06 -4.64 115.64 121.04 1uks s THR 528 Ca 0.00 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1uks s THR 528 Cb 0.00 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 1uks s THR 528 CO 0.00 0.23 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.32 1uks s VAL 529 N -0.59 2.93 -0.16 3.82 1.01 -0.28 -0.48 120.40 126.66 1uks s VAL 529 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1uks s VAL 529 Cb -0.07 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1uks s VAL 529 CO 0.00 0.53 0.04 -0.31 0.00 0.00 0.00 175.10 175.37 1uks s TYR 530 N 0.29 3.23 -0.34 5.22 1.51 0.14 -0.10 117.35 127.30 1uks s TYR 530 Ca -0.11 0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1uks s TYR 530 Cb -0.16 -2.00 0.08 0.00 -0.11 0.00 0.00 41.96 39.76 1uks s TYR 530 CO 0.06 0.22 0.07 -0.06 -1.11 0.00 0.00 175.55 174.73 1uks s PHE 531 N 0.06 3.43 0.00 2.71 0.40 -0.04 -2.67 117.98 121.88 1uks s PHE 531 Ca 0.04 -2.20 0.00 0.00 -0.60 0.00 0.00 56.93 54.18 1uks s PHE 531 Cb -0.12 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.83 1uks s PHE 531 CO 0.01 -0.88 0.00 0.41 0.70 0.00 0.00 175.22 175.46 1uks n GLY 532 N 4.57 3.19 0.81 4.36 0.00 -0.11 -1.30 105.19 116.71 1uks n GLY 532 Ca -0.07 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1uks n GLY 532 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1uks n THR 533 N 0.00 0.00 -2.68 2.61 -2.24 -1.26 -4.90 114.28 105.82 1uks n THR 533 Ca 0.00 -0.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1uks n THR 533 Cb 0.00 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1uks n THR 533 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1uks s THR 534 N -2.00 4.76 -0.11 4.28 2.01 -0.42 -5.03 115.64 119.13 1uks s THR 534 Ca 0.31 2.04 -0.12 0.00 0.31 0.00 0.00 61.69 64.24 1uks s THR 534 Cb 0.20 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1uks s THR 534 CO 0.31 -0.04 0.27 0.00 -0.69 0.00 0.00 174.62 174.47 1uks s ALA 535 N 2.30 3.70 -0.07 7.40 0.00 -1.26 -0.86 121.76 132.98 1uks s ALA 535 Ca 0.47 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1uks s ALA 535 Cb -0.17 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.69 1uks s ALA 535 CO 0.15 0.34 -0.16 0.54 0.00 0.00 0.00 175.76 176.62 1uks s VAL 536 N -0.32 1.45 0.31 0.00 0.11 0.86 -4.97 120.40 117.83 1uks s VAL 536 Ca 0.17 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.59 1uks s VAL 536 Cb -0.13 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1uks s VAL 536 CO 0.06 0.42 0.22 0.42 -3.33 0.00 0.00 175.10 172.89 1uks s THR 537 N 0.44 0.09 0.00 5.04 -4.23 -1.26 -1.12 115.64 114.60 1uks s THR 537 Ca -0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 1uks s THR 537 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1uks s THR 537 CO 0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1uks n GLY 538 N -0.58 3.64 0.28 3.99 0.00 -1.26 -2.82 105.19 108.44 1uks n GLY 538 Ca 0.05 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.15 1uks n GLY 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks h ALA 539 N -0.98 1.03 0.00 4.61 0.00 -2.01 -1.99 119.26 119.92 1uks h ALA 539 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1uks h ALA 539 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uks h ALA 539 CO 0.00 0.05 0.00 -0.44 0.00 0.00 0.00 179.25 178.86 1uks h ASP 540 N 0.00 0.00 -3.41 0.00 3.32 -1.93 -3.37 116.42 111.03 1uks h ASP 540 Ca -0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1uks h ASP 540 Cb 0.46 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.87 1uks h ASP 540 CO 0.01 0.00 0.35 -0.63 -1.72 0.00 0.00 179.24 177.25 1uks s ILE 541 N -3.60 4.62 0.09 0.35 1.01 -0.75 -1.22 121.20 121.70 1uks s ILE 541 Ca 0.02 0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 1uks s ILE 541 Cb 0.09 -4.38 -0.15 0.00 0.01 0.00 0.00 42.46 38.03 1uks s ILE 541 CO 0.52 -0.86 1.31 0.58 0.00 0.00 0.00 174.94 176.49 1uks h VAL 542 N 5.96 1.30 -3.14 2.92 2.07 -1.03 -3.46 116.25 120.88 1uks h VAL 542 Ca -0.26 -1.85 -0.16 0.00 0.82 0.00 0.00 66.70 65.25 1uks h VAL 542 Cb 1.08 1.96 -0.25 0.00 -1.52 0.00 0.00 31.29 32.56 1uks h VAL 542 CO 1.00 0.58 -0.43 0.00 0.02 0.00 0.00 177.57 178.74 1uks s ALA 543 N -3.83 -0.61 -0.04 1.67 0.00 -0.49 -4.94 121.76 113.51 1uks s ALA 543 Ca -0.11 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1uks s ALA 543 Cb 0.08 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1uks s ALA 543 CO 0.88 -0.12 -0.00 -0.46 0.00 0.00 0.00 175.76 176.06 1uks s TRP 544 N 0.10 0.39 0.24 0.00 -0.11 -1.26 -1.21 118.94 117.10 1uks s TRP 544 Ca -0.00 -0.03 -0.02 0.00 1.22 0.00 0.00 56.10 57.27 1uks s TRP 544 Cb -0.02 -0.50 0.01 0.00 -1.50 0.00 0.00 33.47 31.46 1uks s TRP 544 CO 0.00 -0.17 0.35 -0.85 -4.62 0.00 0.00 176.95 171.67 1uks n GLU 545 N 4.36 0.50 0.21 5.86 0.28 -0.21 -4.90 120.64 126.73 1uks n GLU 545 Ca -0.22 -1.87 0.05 0.00 -0.16 0.00 0.00 57.16 54.96 1uks n GLU 545 Cb 0.50 1.84 0.46 0.00 1.43 0.00 0.00 31.44 35.67 1uks n GLU 545 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1uks h ASP 546 N 1.34 0.00 -0.00 -1.84 1.82 -1.87 -3.08 116.42 112.79 1uks h ASP 546 Ca -0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1uks h ASP 546 Cb 0.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1uks h ASP 546 CO 0.25 0.26 -0.58 0.35 -1.61 0.00 0.00 179.24 177.91 1uks n THR 547 N -4.15 0.00 -3.65 2.25 -2.24 -1.26 -2.33 114.28 102.89 1uks n THR 547 Ca -0.02 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1uks n THR 547 Cb 0.32 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.53 1uks n THR 547 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1uks s GLN 548 N -2.24 0.72 -0.03 -0.78 0.74 -1.16 -1.21 119.66 115.70 1uks s GLN 548 Ca 0.08 0.96 0.07 0.00 0.05 0.00 0.00 55.36 56.52 1uks s GLN 548 Cb 0.12 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.51 1uks s GLN 548 CO 0.54 -0.11 -0.24 0.42 -0.55 0.00 0.00 175.29 175.36 1uks s ILE 549 N 0.68 1.94 -0.14 -2.34 1.01 -0.13 -1.05 121.20 121.16 1uks s ILE 549 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1uks s ILE 549 Cb -0.05 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1uks s ILE 549 CO -0.04 0.55 -0.19 -1.10 0.00 0.00 0.00 174.94 174.15 1uks s GLN 550 N -0.42 3.10 -0.01 2.79 -0.21 -0.35 -1.13 119.66 123.43 1uks s GLN 550 Ca 0.05 -0.81 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 1uks s GLN 550 Cb -0.11 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.39 1uks s GLN 550 CO 0.01 0.01 0.07 0.54 -2.12 0.00 0.00 175.29 173.79 1uks s VAL 551 N 0.79 0.04 0.16 1.09 0.11 -0.99 -0.61 120.40 120.99 1uks s VAL 551 Ca -0.07 -0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 58.36 1uks s VAL 551 Cb -0.16 -0.21 -0.07 0.00 -1.53 0.00 0.00 36.38 34.41 1uks s VAL 551 CO -0.01 -0.18 0.93 -0.54 -3.33 0.00 0.00 175.10 171.97 1uks s LYS 552 N -0.55 4.74 0.10 1.54 1.02 -0.36 -0.88 119.74 125.35 1uks s LYS 552 Ca -0.06 1.42 -0.31 0.00 0.02 0.00 0.00 55.97 57.04 1uks s LYS 552 Cb -0.04 -3.33 -0.08 0.00 -0.52 0.00 0.00 37.83 33.86 1uks s LYS 552 CO 0.00 0.37 1.53 0.42 -0.92 0.00 0.00 175.35 176.74 1uks s ILE 553 N -0.56 3.10 0.98 2.17 1.01 -0.32 -4.86 121.20 122.72 1uks s ILE 553 Ca 0.43 0.68 -0.12 0.00 0.00 0.00 0.00 60.65 61.65 1uks s ILE 553 Cb -0.24 -3.44 0.18 0.00 0.01 0.00 0.00 42.46 38.97 1uks s ILE 553 CO 0.30 0.03 1.08 -2.16 0.00 0.00 0.00 174.94 174.19 1uks s PRO 554 N 1.82 0.57 -1.29 2.79 0.04 -1.26 -0.66 135.00 137.00 1uks s PRO 554 Ca 0.69 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 1uks s PRO 554 Cb -0.39 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.56 1uks s PRO 554 CO 0.31 -2.72 1.79 0.00 0.04 0.00 0.00 177.00 176.42 1uks n ALA 555 N -4.21 4.72 -2.87 8.56 0.00 -1.26 -4.55 120.51 120.89 1uks n ALA 555 Ca 0.06 -4.16 -0.23 0.00 0.00 0.00 0.00 53.44 49.11 1uks n ALA 555 Cb 0.55 -3.18 -0.04 0.00 0.00 0.00 0.00 19.45 16.78 1uks n ALA 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1uks s VAL 556 N 1.72 4.78 0.75 0.00 -7.23 -1.26 -5.10 120.40 114.06 1uks s VAL 556 Ca 0.44 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.31 1uks s VAL 556 Cb 0.06 -3.54 0.05 0.00 0.56 0.00 0.00 36.38 33.50 1uks s VAL 556 CO -0.00 -0.27 1.22 -0.81 -0.31 0.00 0.00 175.10 174.94 1uks n PRO 557 N -1.00 0.51 -1.94 4.82 -0.04 -1.26 -4.91 135.00 131.19 1uks n PRO 557 Ca -0.08 0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 63.24 1uks n PRO 557 Cb 0.57 -2.46 0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1uks n PRO 557 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1uks s GLY 558 N -1.85 2.84 0.00 0.55 0.00 -1.26 -4.88 107.32 102.72 1uks s GLY 558 Ca 0.77 1.19 0.00 0.00 0.00 0.00 0.00 44.72 46.68 1uks s GLY 558 CO 0.47 1.68 0.00 0.61 0.00 0.00 0.00 173.10 175.86 1uks n GLY 559 N 0.63 -0.80 3.51 0.20 0.00 -0.67 -4.63 105.19 103.43 1uks n GLY 559 Ca 0.10 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1uks n GLY 559 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uks s ILE 560 N -2.52 3.37 0.16 -0.61 -4.36 -1.26 -0.82 121.20 115.16 1uks s ILE 560 Ca 0.00 -0.59 0.10 0.00 -0.26 0.00 0.00 60.65 59.90 1uks s ILE 560 Cb 0.00 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 1uks s ILE 560 CO 0.00 0.58 -0.23 -0.31 0.24 0.00 0.00 174.94 175.22 1uks s TYR 561 N -0.54 2.13 -0.01 1.37 1.51 0.34 -4.90 117.35 117.26 1uks s TYR 561 Ca 0.08 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 1uks s TYR 561 Cb -0.12 -1.10 -0.06 0.00 -0.11 0.00 0.00 41.96 40.57 1uks s TYR 561 CO 0.02 0.38 0.45 -0.51 -1.11 0.00 0.00 175.55 174.77 1uks s ASP 562 N -2.37 6.83 0.00 2.29 1.01 -1.26 -1.54 116.67 121.63 1uks s ASP 562 Ca 0.16 0.99 0.01 0.00 0.71 0.00 0.00 52.55 54.42 1uks s ASP 562 Cb -0.08 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1uks s ASP 562 CO 0.07 0.26 0.03 -0.63 0.21 0.00 0.00 175.17 175.12 1uks s ILE 563 N -0.78 4.38 -0.13 0.77 1.01 0.43 -0.93 121.20 125.95 1uks s ILE 563 Ca 0.25 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 1uks s ILE 563 Cb -0.17 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.36 1uks s ILE 563 CO 0.14 0.35 0.45 -0.60 0.00 0.00 0.00 174.94 175.28 1uks s ARG 564 N -1.67 0.61 -0.04 2.79 3.52 -1.09 -0.12 118.95 122.95 1uks s ARG 564 Ca 0.21 0.46 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 1uks s ARG 564 Cb -0.12 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1uks s ARG 564 CO 0.12 -0.11 -0.13 0.08 -0.81 0.00 0.00 175.30 174.45 1uks s VAL 565 N -0.16 3.14 -0.08 7.11 1.01 -1.26 -0.69 120.40 129.48 1uks s VAL 565 Ca -0.03 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1uks s VAL 565 Cb -0.03 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 1uks s VAL 565 CO 0.02 0.55 -0.24 0.00 0.00 0.00 0.00 175.10 175.43 1uks s ALA 566 N -0.78 2.14 0.99 5.51 0.00 0.36 -0.62 121.76 129.36 1uks s ALA 566 Ca 0.12 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1uks s ALA 566 Cb -0.11 -0.74 0.20 0.00 0.00 0.00 0.00 23.12 22.47 1uks s ALA 566 CO 0.02 0.34 1.23 0.54 0.00 0.00 0.00 175.76 177.89 1uks s ASN 567 N 0.13 2.86 0.48 0.00 2.20 -0.31 -0.76 114.94 119.54 1uks s ASN 567 Ca -0.12 0.51 0.28 0.00 -0.94 0.00 0.00 52.86 52.59 1uks s ASN 567 Cb -0.16 -0.73 1.55 0.00 -2.00 0.00 0.00 41.25 39.91 1uks s ASN 567 CO 0.07 -2.91 1.86 0.00 -2.94 0.00 0.00 177.10 173.17 1uks h ALA 568 N -1.76 1.09 -0.06 3.54 0.00 -1.77 0.23 119.26 120.54 1uks h ALA 568 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1uks h ALA 568 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1uks h ALA 568 CO 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.60 1uks n ALA 569 N -1.85 2.50 -0.64 0.00 0.00 -1.26 -4.95 120.51 114.32 1uks n ALA 569 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1uks n ALA 569 Cb 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1uks n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uks n GLY 570 N 1.28 0.81 3.69 0.00 0.00 0.07 -5.04 105.19 106.01 1uks n GLY 570 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1uks n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks s ALA 571 N -3.22 3.52 0.19 4.61 0.00 -1.26 -4.75 121.76 120.85 1uks s ALA 571 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 1uks s ALA 571 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1uks s ALA 571 CO 0.00 -0.78 0.41 0.00 0.00 0.00 0.00 175.76 175.39 1uks s ALA 572 N 2.15 3.78 0.77 0.00 0.00 -1.26 -1.17 121.76 126.04 1uks s ALA 572 Ca 0.59 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 1uks s ALA 572 Cb -0.28 -2.10 0.11 0.00 0.00 0.00 0.00 23.12 20.85 1uks s ALA 572 CO 0.24 0.50 0.72 -1.13 0.00 0.00 0.00 175.76 176.08 1uks n SER 573 N -0.41 0.52 -4.74 0.00 3.41 0.21 -4.68 113.62 107.93 1uks n SER 573 Ca -0.03 -1.54 -0.31 0.00 -0.26 0.00 0.00 58.87 56.73 1uks n SER 573 Cb 0.53 -0.50 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1uks n SER 573 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uks s ASN 574 N -3.76 3.98 0.04 4.04 4.22 -1.26 -4.81 114.94 117.39 1uks s ASN 574 Ca 0.44 1.84 -0.24 0.00 -2.14 0.00 0.00 52.86 52.75 1uks s ASN 574 Cb -0.02 -2.47 -0.06 0.00 1.28 0.00 0.00 41.25 39.98 1uks s ASN 574 CO 0.30 -2.37 0.73 -0.63 -2.04 0.00 0.00 177.10 173.09 1uks s ILE 575 N -2.85 4.75 -0.33 0.54 -1.09 -1.26 -4.60 121.20 116.36 1uks s ILE 575 Ca 0.63 1.55 -0.03 0.00 -2.23 0.00 0.00 60.65 60.57 1uks s ILE 575 Cb -0.18 -4.08 0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1uks s ILE 575 CO 0.57 0.38 0.07 -0.47 -1.23 0.00 0.00 174.94 174.25 1uks s TYR 576 N -0.12 3.33 0.54 3.97 5.04 0.83 -4.92 117.35 126.02 1uks s TYR 576 Ca 0.37 -1.88 -0.05 0.00 -2.44 0.00 0.00 57.07 53.07 1uks s TYR 576 Cb -0.20 -2.38 0.12 0.00 0.35 0.00 0.00 41.96 39.84 1uks s TYR 576 CO 0.22 -0.82 0.74 -0.40 -1.34 0.00 0.00 175.55 173.95 1uks n ASP 577 N 4.66 0.52 -1.60 4.32 5.75 -1.26 -0.43 116.55 128.51 1uks n ASP 577 Ca -0.11 -1.55 -0.15 0.00 -0.01 0.00 0.00 54.79 52.97 1uks n ASP 577 Cb 0.43 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.98 1uks n ASP 577 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1uks n ASN 578 N -3.21 -4.60 -4.72 -1.12 5.15 -1.21 -4.86 115.26 100.70 1uks n ASN 578 Ca 0.11 0.07 -0.41 0.00 -0.60 0.00 0.00 54.58 53.74 1uks n ASN 578 Cb 0.38 -3.67 -0.04 0.00 -0.53 0.00 0.00 39.78 35.91 1uks n ASN 578 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1uks s PHE 579 N -2.71 3.68 -0.27 1.20 5.36 -0.59 -4.85 117.98 119.79 1uks s PHE 579 Ca 0.00 1.59 -0.08 0.00 -0.96 0.00 0.00 56.93 57.48 1uks s PHE 579 Cb 0.00 -3.00 -0.02 0.00 -0.34 0.00 0.00 43.02 39.66 1uks s PHE 579 CO 0.00 0.08 0.10 -2.00 -1.46 0.00 0.00 175.22 171.94 1uks s GLU 580 N 0.67 3.51 -0.17 10.12 2.12 -0.07 -0.50 118.70 134.37 1uks s GLU 580 Ca 0.46 -0.59 -0.20 0.00 0.36 0.00 0.00 54.97 55.00 1uks s GLU 580 Cb -0.21 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1uks s GLU 580 CO 0.26 -0.29 0.60 0.08 -0.54 0.00 0.00 175.26 175.37 1uks s VAL 581 N 1.61 5.06 0.53 3.70 1.01 0.00 -2.17 120.40 130.14 1uks s VAL 581 Ca 0.05 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.09 1uks s VAL 581 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1uks s VAL 581 CO 0.05 0.17 0.91 -0.76 0.00 0.00 0.00 175.10 175.46 1uks s LEU 582 N 1.56 3.49 0.49 3.92 1.43 -0.24 -1.66 118.68 127.68 1uks s LEU 582 Ca 0.29 1.25 0.29 0.00 -1.03 0.00 0.00 54.13 54.92 1uks s LEU 582 Cb -0.16 -4.23 1.11 0.00 0.03 0.00 0.00 46.19 42.94 1uks s LEU 582 CO 0.11 -0.67 1.89 0.74 0.23 0.00 0.00 176.35 178.65 1uks h THR 583 N 0.22 0.27 0.00 5.49 2.02 -1.94 -3.40 112.91 115.58 1uks h THR 583 Ca -0.46 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1uks h THR 583 Cb 1.19 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1uks h THR 583 CO 0.62 0.11 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1uks n GLY 584 N 0.13 -0.62 3.77 2.16 0.00 -1.26 -4.95 105.19 104.42 1uks n GLY 584 Ca 0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1uks n GLY 584 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uks s ASP 585 N -4.00 4.83 0.13 1.61 1.11 -1.26 -4.75 116.67 114.34 1uks s ASP 585 Ca 0.00 1.93 0.07 0.00 0.18 0.00 0.00 52.55 54.73 1uks s ASP 585 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1uks s ASP 585 CO 0.00 -1.82 -0.04 -1.10 1.18 0.00 0.00 175.17 173.39 1uks s GLN 586 N -4.44 2.31 0.05 8.23 -1.52 -1.26 -0.22 119.66 122.81 1uks s GLN 586 Ca 0.64 -1.04 0.02 0.00 -1.95 0.00 0.00 55.36 53.03 1uks s GLN 586 Cb -0.19 -2.36 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 1uks s GLN 586 CO 0.48 0.49 -0.07 0.14 -0.25 0.00 0.00 175.29 176.08 1uks s VAL 587 N -1.47 0.50 -0.24 1.09 -7.23 -0.31 -4.69 120.40 108.05 1uks s VAL 587 Ca 0.25 -1.28 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 1uks s VAL 587 Cb -0.10 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1uks s VAL 587 CO 0.17 -0.54 0.11 0.28 -0.31 0.00 0.00 175.10 174.81 1uks s THR 588 N -2.01 4.85 -0.12 5.32 -1.32 -1.26 -0.87 115.64 120.23 1uks s THR 588 Ca -0.05 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.42 1uks s THR 588 Cb -0.06 -3.26 -0.02 0.00 -1.51 0.00 0.00 72.50 67.65 1uks s THR 588 CO -0.01 0.35 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.98 1uks s VAL 589 N 1.25 3.58 -0.21 5.08 1.01 -0.17 -3.31 120.40 127.62 1uks s VAL 589 Ca 0.06 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 1uks s VAL 589 Cb -0.14 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1uks s VAL 589 CO 0.05 0.53 0.90 -0.60 0.00 0.00 0.00 175.10 175.98 1uks s ARG 590 N 0.04 4.25 -0.16 2.72 6.06 0.22 -1.16 118.95 130.92 1uks s ARG 590 Ca -0.02 1.11 -0.06 0.00 -2.50 0.00 0.00 55.73 54.27 1uks s ARG 590 Cb -0.14 -3.62 -0.04 0.00 0.06 0.00 0.00 34.95 31.21 1uks s ARG 590 CO 0.03 -0.50 0.03 -0.06 -2.50 0.00 0.00 175.30 172.31 1uks s PHE 591 N 2.74 3.19 -0.09 5.12 0.08 0.17 -0.71 117.98 128.48 1uks s PHE 591 Ca 0.39 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.45 1uks s PHE 591 Cb -0.16 -2.01 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1uks s PHE 591 CO 0.09 0.15 -0.13 0.08 -0.10 0.00 0.00 175.22 175.31 1uks s VAL 592 N 0.19 1.25 -0.08 -0.44 1.01 0.12 -1.55 120.40 120.90 1uks s VAL 592 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1uks s VAL 592 Cb -0.13 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1uks s VAL 592 CO 0.01 0.39 -0.13 -0.51 0.00 0.00 0.00 175.10 174.86 1uks s ILE 593 N 0.93 1.26 0.21 2.22 2.07 -0.38 -1.12 121.20 126.38 1uks s ILE 593 Ca -0.09 -0.54 0.03 0.00 -1.41 0.00 0.00 60.65 58.64 1uks s ILE 593 Cb -0.15 -1.15 -0.03 0.00 0.13 0.00 0.00 42.46 41.26 1uks s ILE 593 CO 0.00 0.38 0.35 0.20 -1.91 0.00 0.00 174.94 173.97 1uks s ASN 594 N 0.74 6.33 -1.32 4.50 -0.87 0.10 -1.03 114.94 123.39 1uks s ASN 594 Ca -0.13 0.17 -0.08 0.00 -1.57 0.00 0.00 52.86 51.25 1uks s ASN 594 Cb -0.16 -1.91 0.01 0.00 -0.02 0.00 0.00 41.25 39.18 1uks s ASN 594 CO 0.03 -0.04 1.15 0.59 -2.57 0.00 0.00 177.10 176.26 1uks n ASN 595 N -1.07 -5.82 -4.12 -1.22 3.02 -1.02 -0.93 115.26 104.10 1uks n ASN 595 Ca -0.08 -0.54 -0.37 0.00 -0.03 0.00 0.00 54.58 53.57 1uks n ASN 595 Cb 0.56 -4.98 -0.06 0.00 -0.61 0.00 0.00 39.78 34.68 1uks n ASN 595 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uks s ALA 596 N -3.32 4.30 0.37 5.41 0.00 -0.74 -4.60 121.76 123.18 1uks s ALA 596 Ca 0.51 -3.86 -0.25 0.00 0.00 0.00 0.00 51.96 48.37 1uks s ALA 596 Cb -0.23 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1uks s ALA 596 CO 0.72 -2.15 1.01 0.95 0.00 0.00 0.00 175.76 176.29 1uks s THR 597 N -1.39 3.93 0.18 0.00 -4.23 -1.26 -4.78 115.64 108.09 1uks s THR 597 Ca 0.28 1.52 0.02 0.00 -1.18 0.00 0.00 61.69 62.34 1uks s THR 597 Cb -0.07 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 1uks s THR 597 CO -0.12 0.05 -0.01 0.42 -0.54 0.00 0.00 174.62 174.42 1uks s THR 598 N -1.65 0.78 0.69 3.99 -4.23 -1.26 -5.11 115.64 108.85 1uks s THR 598 Ca 0.55 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1uks s THR 598 Cb -0.20 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.55 1uks s THR 598 CO 0.26 -0.47 0.99 0.00 -0.54 0.00 0.00 174.62 174.86 1uks s ALA 599 N -3.59 3.23 0.23 3.99 0.00 -1.26 -4.96 121.76 119.41 1uks s ALA 599 Ca 0.24 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 1uks s ALA 599 Cb 0.06 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 1uks s ALA 599 CO 0.04 -1.23 1.64 -1.17 0.00 0.00 0.00 175.76 175.04 1uks s LEU 600 N -5.19 4.36 0.00 0.00 2.96 -1.26 -1.21 118.68 118.34 1uks s LEU 600 Ca 0.60 2.85 0.00 0.00 -0.22 0.00 0.00 54.13 57.35 1uks s LEU 600 Cb -0.11 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1uks s LEU 600 CO 0.44 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 1uks n GLY 601 N 3.19 1.01 3.74 7.98 0.00 -1.26 -5.02 105.19 114.83 1uks n GLY 601 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1uks n GLY 601 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1uks s GLN 602 N -0.03 3.90 0.18 1.61 0.74 -0.35 -4.43 119.66 121.28 1uks s GLN 602 Ca 0.00 -0.23 0.05 0.00 0.05 0.00 0.00 55.36 55.23 1uks s GLN 602 Cb 0.00 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.78 1uks s GLN 602 CO 0.00 0.43 -0.09 -0.80 -0.55 0.00 0.00 175.29 174.28 1uks s ASN 603 N -0.05 1.98 -0.06 6.67 -0.87 -0.02 -4.55 114.94 118.04 1uks s ASN 603 Ca 0.09 -1.05 -0.08 0.00 -1.57 0.00 0.00 52.86 50.25 1uks s ASN 603 Cb -0.12 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.25 41.03 1uks s ASN 603 CO 0.00 -0.33 0.23 -0.69 -2.57 0.00 0.00 177.10 173.74 1uks s VAL 604 N -3.26 5.36 0.24 1.60 1.01 -1.26 -0.99 120.40 123.09 1uks s VAL 604 Ca 0.20 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1uks s VAL 604 Cb 0.02 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1uks s VAL 604 CO 0.03 0.53 0.06 -0.36 0.00 0.00 0.00 175.10 175.37 1uks s PHE 605 N -1.13 1.48 -0.03 5.22 0.40 -0.36 -1.07 117.98 122.49 1uks s PHE 605 Ca 0.21 -1.11 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 1uks s PHE 605 Cb -0.13 -0.87 -0.00 0.00 0.51 0.00 0.00 43.02 42.53 1uks s PHE 605 CO 0.10 -0.26 -0.15 -1.17 0.70 0.00 0.00 175.22 174.44 1uks s LEU 606 N -3.29 1.92 0.15 -0.37 1.98 -0.08 -1.62 118.68 117.37 1uks s LEU 606 Ca 0.34 -0.29 -0.06 0.00 -2.89 0.00 0.00 54.13 51.22 1uks s LEU 606 Cb 0.07 -0.82 -0.02 0.00 0.66 0.00 0.00 46.19 46.09 1uks s LEU 606 CO 0.11 0.14 0.21 0.28 -1.89 0.00 0.00 176.35 175.20 1uks s THR 607 N -0.04 0.08 0.00 3.68 -1.32 -0.93 -0.03 115.64 117.08 1uks s THR 607 Ca -0.01 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 1uks s THR 607 Cb -0.09 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.01 1uks s THR 607 CO 0.01 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.66 1uks n GLY 608 N -0.17 1.35 0.89 6.08 0.00 -1.10 -1.84 105.19 110.41 1uks n GLY 608 Ca -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.10 1uks n GLY 608 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uks n ASN 609 N -0.53 2.55 -4.45 1.61 6.94 0.09 -0.77 115.26 120.70 1uks n ASN 609 Ca 0.00 -2.19 -0.23 0.00 -0.02 0.00 0.00 54.58 52.14 1uks n ASN 609 Cb 0.00 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.93 1uks n ASN 609 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1uks s VAL 610 N -1.65 2.21 0.42 3.53 -7.23 -1.26 -4.85 120.40 111.56 1uks s VAL 610 Ca 0.26 -2.31 0.18 0.00 -1.81 0.00 0.00 61.98 58.31 1uks s VAL 610 Cb 0.16 -2.32 0.20 0.00 0.56 0.00 0.00 36.38 34.98 1uks s VAL 610 CO 0.13 -0.40 1.98 0.77 -0.31 0.00 0.00 175.10 177.28 1uks h SER 611 N 2.29 0.00 0.31 4.85 4.64 -1.88 -1.36 113.55 122.40 1uks h SER 611 Ca -0.40 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1uks h SER 611 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1uks h SER 611 CO 0.63 0.20 -0.10 -0.33 -0.87 0.00 0.00 176.83 176.36 1uks h GLU 612 N 0.00 0.00 -0.54 4.77 3.07 -1.94 -0.29 114.58 119.65 1uks h GLU 612 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1uks h GLU 612 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1uks h GLU 612 CO 0.03 0.10 0.00 1.28 -1.40 0.00 0.00 179.01 179.01 1uks n LEU 613 N -3.66 4.55 0.00 1.33 4.32 -0.58 -4.95 117.00 118.01 1uks n LEU 613 Ca -0.02 -2.55 0.00 0.00 -0.02 0.00 0.00 56.01 53.42 1uks n LEU 613 Cb 0.21 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1uks n LEU 613 CO 0.29 0.76 0.00 0.61 -1.22 0.00 0.00 177.39 177.84 1uks n GLY 614 N 0.74 0.61 4.22 -0.72 0.00 -0.12 -2.73 105.19 107.19 1uks n GLY 614 Ca 0.24 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1uks n GLY 614 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uks n ASN 615 N 0.04 -0.87 -0.38 1.61 5.03 -0.78 -1.61 115.26 118.29 1uks n ASN 615 Ca 0.00 -1.27 -0.05 0.00 0.87 0.00 0.00 54.58 54.13 1uks n ASN 615 Cb 0.00 -1.71 -0.02 0.00 -1.02 0.00 0.00 39.78 37.03 1uks n ASN 615 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1uks n TRP 616 N -4.74 0.00 -3.33 3.10 5.03 0.05 -4.95 117.44 112.61 1uks n TRP 616 Ca -0.25 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 59.87 1uks n TRP 616 Cb 0.65 -1.86 -0.09 0.00 -1.03 0.00 0.00 31.31 28.98 1uks n TRP 616 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1uks s ASP 617 N -2.28 6.24 0.50 -0.99 3.68 -0.64 -4.95 116.67 118.23 1uks s ASP 617 Ca 0.00 -0.18 0.22 0.00 2.13 0.00 0.00 52.55 54.72 1uks s ASP 617 Cb 0.00 -2.23 1.28 0.00 -1.45 0.00 0.00 42.92 40.52 1uks s ASP 617 CO 0.00 -0.42 1.97 -0.65 0.13 0.00 0.00 175.17 176.20 1uks h PRO 618 N 8.48 0.14 0.00 4.34 0.11 -1.93 0.15 132.00 143.28 1uks h PRO 618 Ca -0.29 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1uks h PRO 618 Cb 1.13 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1uks h PRO 618 CO 0.74 0.09 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.67 1uks h ASN 619 N 0.14 0.00 -0.25 -2.05 2.35 -1.95 -2.81 115.58 111.01 1uks h ASN 619 Ca 0.30 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1uks h ASN 619 Cb 0.99 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 1uks h ASN 619 CO -0.04 0.04 -0.02 0.59 -1.65 0.00 0.00 177.43 176.35 1uks n ASN 620 N -3.13 3.36 -4.78 5.81 3.02 0.47 -5.06 115.26 114.95 1uks n ASN 620 Ca 0.01 -3.21 -0.32 0.00 -0.03 0.00 0.00 54.58 51.03 1uks n ASN 620 Cb 0.39 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 1uks n ASN 620 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uks s ALA 621 N -2.94 2.51 -0.10 5.41 0.00 -0.91 -4.08 121.76 121.65 1uks s ALA 621 Ca 0.42 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 1uks s ALA 621 Cb 0.35 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1uks s ALA 621 CO 0.06 -1.27 0.94 0.42 0.00 0.00 0.00 175.76 175.91 1uks s ILE 622 N -2.56 4.84 -5.00 0.00 -1.09 0.96 -4.85 121.20 113.49 1uks s ILE 622 Ca 0.64 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.98 1uks s ILE 622 Cb -0.18 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 1uks s ILE 622 CO 0.45 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1uks n GLY 623 N 3.13 0.92 3.72 6.18 0.00 -1.26 -0.90 105.19 116.97 1uks n GLY 623 Ca 0.07 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1uks n GLY 623 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uks n PRO 624 N 0.00 2.31 -1.15 1.61 -0.02 -1.26 -5.07 135.00 131.42 1uks n PRO 624 Ca 0.00 0.81 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 1uks n PRO 624 Cb 0.00 -2.45 0.13 0.00 -0.02 0.00 0.00 33.50 31.16 1uks n PRO 624 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1uks s MET 625 N -1.81 1.46 0.42 -0.52 -1.94 -0.23 -5.02 119.30 111.65 1uks s MET 625 Ca 0.56 1.00 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 1uks s MET 625 Cb -0.54 -1.82 -0.02 0.00 2.01 0.00 0.00 34.83 34.46 1uks s MET 625 CO 0.62 -2.15 0.63 0.71 -0.01 0.00 0.00 175.02 174.82 1uks s TYR 626 N -2.88 3.33 -0.09 -0.03 2.02 -0.19 -4.81 117.35 114.70 1uks s TYR 626 Ca 0.63 0.30 0.04 0.00 -0.37 0.00 0.00 57.07 57.67 1uks s TYR 626 Cb -0.18 -2.17 0.11 0.00 -0.40 0.00 0.00 41.96 39.32 1uks s TYR 626 CO 0.57 -0.19 1.08 0.27 -1.57 0.00 0.00 175.55 175.71 1uks n ASN 627 N -1.99 -1.04 0.00 2.29 0.23 -1.26 -0.69 115.26 112.80 1uks n ASN 627 Ca -0.01 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 1uks n ASN 627 Cb 0.57 0.38 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 1uks n ASN 627 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1uks n GLN 628 N -0.43 0.00 -0.04 -3.83 1.13 -0.40 -0.43 117.38 113.38 1uks n GLN 628 Ca -0.23 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.80 1uks n GLN 628 Cb 0.72 -0.41 -0.01 0.00 0.11 0.00 0.00 30.24 30.65 1uks n GLN 628 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1uks n VAL 629 N -2.48 0.85 0.00 5.09 0.31 -1.26 -4.49 118.33 116.35 1uks n VAL 629 Ca 0.00 0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.52 1uks n VAL 629 Cb 0.24 -2.03 -0.02 0.00 -0.91 0.00 0.00 33.84 31.12 1uks n VAL 629 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uks h VAL 630 N -0.60 1.32 -4.02 2.52 2.07 -1.97 -3.45 116.25 112.13 1uks h VAL 630 Ca 0.00 -2.00 -0.19 0.00 0.82 0.00 0.00 66.70 65.33 1uks h VAL 630 Cb 0.34 1.98 -0.19 0.00 -1.52 0.00 0.00 31.29 31.90 1uks h VAL 630 CO 0.00 0.62 -0.70 -0.31 0.02 0.00 0.00 177.57 177.20 1uks s TYR 631 N -3.75 0.48 0.06 1.57 2.02 -1.26 -5.15 117.35 111.32 1uks s TYR 631 Ca -0.08 -0.69 0.08 0.00 -0.37 0.00 0.00 57.07 56.01 1uks s TYR 631 Cb 0.10 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.31 1uks s TYR 631 CO 0.88 -0.21 -0.19 -0.65 -1.57 0.00 0.00 175.55 173.81 1uks s GLN 632 N -2.29 1.97 0.20 -0.62 1.11 -1.26 -1.27 119.66 117.50 1uks s GLN 632 Ca -0.07 -1.05 -0.30 0.00 0.01 0.00 0.00 55.36 53.96 1uks s GLN 632 Cb -0.04 -2.15 -0.16 0.00 -1.01 0.00 0.00 33.01 29.64 1uks s GLN 632 CO -0.03 0.52 0.75 0.98 0.01 0.00 0.00 175.29 177.53 1uks n TYR 633 N 1.36 0.23 0.81 0.91 9.36 0.43 -0.80 117.16 129.45 1uks n TYR 633 Ca -0.16 0.88 -0.00 0.00 3.32 0.00 0.00 57.90 61.94 1uks n TYR 633 Cb 0.52 -2.08 0.03 0.00 -0.63 0.00 0.00 39.34 37.19 1uks n TYR 633 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1uks n PRO 634 N 1.05 1.32 -3.46 2.98 -0.04 -1.26 -5.06 135.00 130.53 1uks n PRO 634 Ca 0.16 -0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 62.94 1uks n PRO 634 Cb 0.25 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 1uks n PRO 634 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1uks s THR 635 N -0.96 5.22 0.10 0.52 2.01 0.02 -1.79 115.64 120.75 1uks s THR 635 Ca 0.05 0.74 0.09 0.00 0.31 0.00 0.00 61.69 62.88 1uks s THR 635 Cb 0.04 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1uks s THR 635 CO 0.01 0.41 -0.18 0.26 -0.69 0.00 0.00 174.62 174.43 1uks s TRP 636 N 0.19 2.53 0.05 4.92 0.52 -0.20 -4.08 118.94 122.88 1uks s TRP 636 Ca 0.21 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 56.03 1uks s TRP 636 Cb -0.14 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.78 1uks s TRP 636 CO 0.08 0.35 0.05 1.52 0.02 0.00 0.00 176.95 178.97 1uks s TYR 637 N -1.08 0.35 -0.25 -1.98 1.13 0.13 -1.25 117.35 114.40 1uks s TYR 637 Ca 0.17 -0.81 -0.26 0.00 -1.41 0.00 0.00 57.07 54.76 1uks s TYR 637 Cb -0.11 -0.25 0.10 0.00 -1.10 0.00 0.00 41.96 40.60 1uks s TYR 637 CO 0.09 -0.40 0.87 -0.47 -2.51 0.00 0.00 175.55 173.13 1uks s TYR 638 N -3.49 -0.61 -0.32 -3.49 6.14 -0.60 -1.02 117.35 113.96 1uks s TYR 638 Ca 0.03 1.44 -0.13 0.00 0.64 0.00 0.00 57.07 59.04 1uks s TYR 638 Cb 0.04 0.33 -0.03 0.00 0.42 0.00 0.00 41.96 42.73 1uks s TYR 638 CO -0.09 -0.33 0.26 -0.51 0.64 0.00 0.00 175.55 175.52 1uks s ASP 639 N 0.09 6.08 -0.06 4.32 -0.00 -1.26 -0.66 116.67 125.18 1uks s ASP 639 Ca 0.00 -0.22 0.03 0.00 -0.00 0.00 0.00 52.55 52.36 1uks s ASP 639 Cb -0.04 -2.15 0.01 0.00 -0.00 0.00 0.00 42.92 40.74 1uks s ASP 639 CO -0.01 -0.20 -0.14 -0.69 -0.00 0.00 0.00 175.17 174.13 1uks s VAL 640 N 1.81 1.24 0.04 -1.27 1.01 -0.31 -3.25 120.40 119.67 1uks s VAL 640 Ca 0.08 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1uks s VAL 640 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1uks s VAL 640 CO 0.11 0.37 1.06 -0.55 0.00 0.00 0.00 175.10 176.10 1uks s SER 641 N 0.50 7.26 0.01 3.32 0.15 -1.24 -1.00 113.70 122.71 1uks s SER 641 Ca -0.12 1.82 -0.06 0.00 0.70 0.00 0.00 55.95 58.29 1uks s SER 641 Cb -0.15 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 1uks s SER 641 CO 0.04 -0.33 0.10 0.54 1.20 0.00 0.00 173.24 174.79 1uks s VAL 642 N 0.92 0.10 0.30 4.45 0.11 -0.05 -4.81 120.40 121.42 1uks s VAL 642 Ca 0.54 -0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 1uks s VAL 642 Cb -0.25 -0.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.99 1uks s VAL 642 CO 0.29 -0.45 1.43 -2.16 -3.33 0.00 0.00 175.10 170.88 1uks s PRO 643 N -1.68 4.25 0.29 1.54 0.04 -1.26 -1.16 135.00 137.02 1uks s PRO 643 Ca -0.13 2.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1uks s PRO 643 Cb -0.07 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 1uks s PRO 643 CO -0.00 -0.40 1.01 0.00 0.04 0.00 0.00 177.00 177.64 1uks s ALA 644 N -0.48 3.31 -0.58 8.56 0.00 0.70 -4.26 121.76 129.01 1uks s ALA 644 Ca 0.56 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 1uks s ALA 644 Cb -0.43 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1uks s ALA 644 CO 0.50 0.03 0.08 0.41 0.00 0.00 0.00 175.76 176.77 1uks n GLY 645 N 1.11 0.15 3.39 0.00 0.00 -0.12 -4.78 105.19 104.94 1uks n GLY 645 Ca -0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1uks n GLY 645 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1uks s GLN 646 N -4.57 1.25 -0.32 1.61 -2.07 -1.25 -4.86 119.66 109.46 1uks s GLN 646 Ca 0.04 -1.20 -0.18 0.00 -1.82 0.00 0.00 55.36 52.20 1uks s GLN 646 Cb -0.02 0.40 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 1uks s GLN 646 CO 0.05 -0.47 0.53 0.99 -1.32 0.00 0.00 175.29 175.07 1uks s THR 647 N -3.98 5.01 0.19 3.63 2.01 -1.26 -0.56 115.64 120.68 1uks s THR 647 Ca 0.19 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.80 1uks s THR 647 Cb 0.02 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 1uks s THR 647 CO 0.02 -0.12 0.31 0.27 -0.69 0.00 0.00 174.62 174.41 1uks s ILE 648 N 2.42 5.27 -0.01 1.82 -4.36 -0.36 -4.91 121.20 121.06 1uks s ILE 648 Ca 0.20 -0.83 0.07 0.00 -0.26 0.00 0.00 60.65 59.83 1uks s ILE 648 Cb -0.15 -3.78 -0.02 0.00 1.25 0.00 0.00 42.46 39.75 1uks s ILE 648 CO 0.12 -0.20 -0.22 -1.61 0.24 0.00 0.00 174.94 173.27 1uks s GLU 649 N -3.56 2.17 0.24 0.37 2.02 -1.26 -2.21 118.70 116.47 1uks s GLU 649 Ca 0.34 -0.90 -0.18 0.00 0.02 0.00 0.00 54.97 54.26 1uks s GLU 649 Cb -0.10 -2.13 0.02 0.00 0.10 0.00 0.00 34.13 32.01 1uks s GLU 649 CO 0.29 0.57 0.58 -0.59 0.02 0.00 0.00 175.26 176.13 1uks s PHE 650 N -0.69 -0.02 0.04 1.61 -0.12 -0.75 -0.73 117.98 117.31 1uks s PHE 650 Ca 0.11 -0.37 -0.19 0.00 -0.05 0.00 0.00 56.93 56.43 1uks s PHE 650 Cb -0.10 0.45 0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1uks s PHE 650 CO 0.00 -1.05 0.44 0.15 -0.05 0.00 0.00 175.22 174.71 1uks s LYS 651 N -3.93 0.93 0.29 1.99 1.02 -0.76 -0.97 119.74 118.32 1uks s LYS 651 Ca 0.13 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.87 1uks s LYS 651 Cb -0.03 0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.68 1uks s LYS 651 CO 0.04 -0.32 0.43 -0.06 -0.92 0.00 0.00 175.35 174.52 1uks s PHE 652 N -2.36 3.34 0.06 3.18 0.08 -1.26 -2.20 117.98 118.83 1uks s PHE 652 Ca -0.06 -0.02 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 1uks s PHE 652 Cb -0.01 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 1uks s PHE 652 CO -0.01 0.22 0.30 -0.48 -0.10 0.00 0.00 175.22 175.15 1uks s LEU 653 N -4.11 0.89 -0.03 -0.37 2.34 -0.64 -1.96 118.68 114.79 1uks s LEU 653 Ca 0.39 -0.28 0.00 0.00 0.06 0.00 0.00 54.13 54.30 1uks s LEU 653 Cb -0.09 1.38 -0.03 0.00 -0.56 0.00 0.00 46.19 46.88 1uks s LEU 653 CO 0.31 -0.67 0.00 -0.54 -1.06 0.00 0.00 176.35 174.40 1uks s LYS 654 N -2.93 2.87 -0.03 1.48 1.02 0.21 -1.23 119.74 121.14 1uks s LYS 654 Ca -0.02 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1uks s LYS 654 Cb 0.00 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1uks s LYS 654 CO -0.06 0.66 -0.07 0.15 -0.92 0.00 0.00 175.35 175.11 1uks s LYS 655 N -1.29 0.83 -0.20 1.68 1.02 -0.16 -0.64 119.74 120.98 1uks s LYS 655 Ca 0.17 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.88 1uks s LYS 655 Cb -0.11 -0.79 0.07 0.00 -0.52 0.00 0.00 37.83 36.48 1uks s LYS 655 CO 0.07 0.07 0.12 -1.14 -0.92 0.00 0.00 175.35 173.54 1uks s GLN 656 N 0.31 0.11 7.97 1.68 0.74 -0.80 -0.84 119.66 128.83 1uks s GLN 656 Ca -0.04 -0.15 0.00 0.00 0.05 0.00 0.00 55.36 55.22 1uks s GLN 656 Cb -0.09 -1.59 0.00 0.00 1.10 0.00 0.00 33.01 32.43 1uks s GLN 656 CO 0.00 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 1uks n GLY 657 N 5.28 4.05 0.18 2.59 0.00 -1.26 -1.58 105.19 114.44 1uks n GLY 657 Ca -0.07 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1uks n GLY 657 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uks n SER 658 N 9.04 0.89 -4.67 1.61 7.64 -1.26 -4.90 113.62 121.98 1uks n SER 658 Ca 0.00 -0.72 -0.37 0.00 1.01 0.00 0.00 58.87 58.79 1uks n SER 658 Cb 0.00 0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 1uks n SER 658 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1uks s THR 659 N -2.65 5.31 -0.16 0.44 2.01 -0.62 -5.06 115.64 114.91 1uks s THR 659 Ca 0.20 0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 1uks s THR 659 Cb 0.19 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1uks s THR 659 CO 0.58 0.32 0.01 -0.69 -0.69 0.00 0.00 174.62 174.14 1uks s VAL 660 N 1.09 4.29 -0.28 3.82 1.01 -1.26 -1.90 120.40 127.17 1uks s VAL 660 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1uks s VAL 660 Cb -0.14 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.38 1uks s VAL 660 CO 0.05 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 174.70 1uks s THR 661 N 0.31 2.80 0.33 3.92 2.01 0.18 -4.95 115.64 120.24 1uks s THR 661 Ca -0.01 -1.31 -0.18 0.00 0.31 0.00 0.00 61.69 60.50 1uks s THR 661 Cb -0.13 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.73 1uks s THR 661 CO 0.02 0.01 0.80 0.26 -0.69 0.00 0.00 174.62 175.01 1uks s TRP 662 N 1.25 3.44 0.46 4.92 0.52 -1.26 -0.61 118.94 127.66 1uks s TRP 662 Ca -0.04 1.38 -0.24 0.00 0.02 0.00 0.00 56.10 57.22 1uks s TRP 662 Cb -0.19 -2.65 -0.08 0.00 -1.15 0.00 0.00 33.47 29.40 1uks s TRP 662 CO -0.03 0.11 1.32 0.39 0.02 0.00 0.00 176.95 178.75 1uks n GLU 663 N -0.14 1.91 -0.28 4.98 1.02 -0.83 -4.96 120.64 122.34 1uks n GLU 663 Ca 0.03 0.69 -0.00 0.00 -0.02 0.00 0.00 57.16 57.86 1uks n GLU 663 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1uks n GLU 663 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uks n GLY 664 N 0.76 -0.28 7.00 0.62 0.00 0.11 -4.97 105.19 108.44 1uks n GLY 664 Ca 0.07 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1uks n GLY 664 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uks n GLY 665 N 4.98 -1.60 3.83 -0.02 0.00 -1.26 -4.70 105.19 106.42 1uks n GLY 665 Ca 0.00 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1uks n GLY 665 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks s ALA 666 N -1.29 2.83 0.45 4.61 0.00 -1.26 -5.01 121.76 122.08 1uks s ALA 666 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 1uks s ALA 666 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 1uks s ALA 666 CO 0.00 -0.98 1.42 -0.80 0.00 0.00 0.00 175.76 175.40 1uks s ASN 667 N -3.78 5.92 0.39 0.00 0.01 -1.26 -5.01 114.94 111.20 1uks s ASN 667 Ca 0.58 2.91 -0.16 0.00 -0.71 0.00 0.00 52.86 55.48 1uks s ASN 667 Cb -0.13 -2.65 -0.09 0.00 0.41 0.00 0.00 41.25 38.79 1uks s ASN 667 CO 0.52 -1.15 0.82 -0.13 -1.51 0.00 0.00 177.10 175.65 1uks s ARG 668 N -2.43 4.00 0.15 -0.60 0.52 -0.14 -4.90 118.95 115.56 1uks s ARG 668 Ca 0.60 0.77 0.07 0.00 -0.52 0.00 0.00 55.73 56.65 1uks s ARG 668 Cb -0.43 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1uks s ARG 668 CO 0.56 0.02 -0.14 0.95 0.02 0.00 0.00 175.30 176.71 1uks s THR 669 N -2.18 1.48 -0.25 0.02 -4.23 -1.26 -1.82 115.64 107.40 1uks s THR 669 Ca 0.56 -1.91 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 1uks s THR 669 Cb -0.10 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 72.06 1uks s THR 669 CO 0.21 -0.48 0.65 0.12 -0.54 0.00 0.00 174.62 174.57 1uks s PHE 670 N -2.47 -0.76 -0.30 3.99 5.36 -0.94 -4.98 117.98 117.88 1uks s PHE 670 Ca 0.14 1.79 -0.14 0.00 -0.96 0.00 0.00 56.93 57.76 1uks s PHE 670 Cb -0.03 0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.92 1uks s PHE 670 CO 0.04 -0.37 0.34 0.99 -1.46 0.00 0.00 175.22 174.76 1uks s THR 671 N 0.57 5.20 0.48 0.12 2.01 -1.26 -1.23 115.64 121.53 1uks s THR 671 Ca -0.02 0.32 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 1uks s THR 671 Cb -0.05 -3.71 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1uks s THR 671 CO -0.03 0.09 1.01 0.42 -0.69 0.00 0.00 174.62 175.42 1uks s THR 672 N 2.00 4.03 0.73 -0.82 -4.23 0.28 -4.89 115.64 112.74 1uks s THR 672 Ca 0.12 1.20 -0.15 0.00 -1.18 0.00 0.00 61.69 61.69 1uks s THR 672 Cb -0.16 -3.51 0.04 0.00 1.34 0.00 0.00 72.50 70.21 1uks s THR 672 CO 0.11 -0.34 1.22 -2.16 -0.54 0.00 0.00 174.62 172.91 1uks s PRO 673 N -3.39 2.14 0.65 3.99 0.04 -1.26 -3.00 135.00 134.16 1uks s PRO 673 Ca 0.65 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 1uks s PRO 673 Cb -0.14 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1uks s PRO 673 CO 0.21 -1.85 1.04 0.95 0.04 0.00 0.00 177.00 177.39 1uks s THR 674 N -1.93 4.33 -0.48 1.26 -4.23 -1.26 -0.94 115.64 112.39 1uks s THR 674 Ca 0.75 0.80 -0.43 0.00 -1.18 0.00 0.00 61.69 61.62 1uks s THR 674 Cb -0.30 -3.62 -0.19 0.00 1.34 0.00 0.00 72.50 69.74 1uks s THR 674 CO 0.45 -0.95 1.95 -1.20 -0.54 0.00 0.00 174.62 174.32 1uks n SER 675 N -2.82 0.84 -0.10 3.99 7.64 -1.26 -4.85 113.62 117.05 1uks n SER 675 Ca 0.07 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1uks n SER 675 Cb 0.54 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1uks n SER 675 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uks n GLY 676 N 6.43 1.20 3.64 0.23 0.00 -1.26 -5.06 105.19 110.36 1uks n GLY 676 Ca 0.48 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1uks n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uks s THR 677 N -2.23 2.75 0.10 2.61 2.01 -1.26 -4.27 115.64 115.35 1uks s THR 677 Ca 0.00 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 59.84 1uks s THR 677 Cb 0.00 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.76 1uks s THR 677 CO 0.00 -0.23 0.51 0.00 -0.69 0.00 0.00 174.62 174.21 1uks s ALA 678 N -2.49 -1.29 -0.06 7.40 0.00 -1.21 -4.90 121.76 119.21 1uks s ALA 678 Ca 0.34 0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1uks s ALA 678 Cb -0.01 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1uks s ALA 678 CO 0.20 -0.62 -0.24 0.99 0.00 0.00 0.00 175.76 176.09 1uks s THR 679 N -3.19 1.96 -0.20 0.00 2.01 -1.26 -0.61 115.64 114.35 1uks s THR 679 Ca -0.01 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.94 1uks s THR 679 Cb 0.00 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1uks s THR 679 CO -0.08 0.54 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.70 1uks s VAL 680 N -0.06 3.88 -0.19 3.82 1.01 0.11 -4.97 120.40 124.00 1uks s VAL 680 Ca -0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1uks s VAL 680 Cb -0.14 -2.75 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1uks s VAL 680 CO 0.04 0.43 -0.04 0.21 0.00 0.00 0.00 175.10 175.74 1uks s ASN 681 N 0.99 3.22 0.35 3.32 3.84 -1.26 0.15 114.94 125.55 1uks s ASN 681 Ca 0.01 -0.87 0.06 0.00 0.21 0.00 0.00 52.86 52.27 1uks s ASN 681 Cb -0.14 -0.98 -0.03 0.00 -0.55 0.00 0.00 41.25 39.55 1uks s ASN 681 CO 0.01 -0.22 0.23 0.68 -2.79 0.00 0.00 177.10 175.01 1uks s VAL 682 N 1.57 0.19 -0.04 -5.21 -7.23 -0.28 -5.00 120.40 104.40 1uks s VAL 682 Ca -0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1uks s VAL 682 Cb -0.17 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 1uks s VAL 682 CO -0.07 0.00 -0.14 0.20 -0.31 0.00 0.00 175.10 174.77 1uks s ASN 683 N -3.45 1.84 0.04 4.85 0.01 -1.26 -0.72 114.94 116.25 1uks s ASN 683 Ca 0.35 -0.30 -0.35 0.00 -0.71 0.00 0.00 52.86 51.85 1uks s ASN 683 Cb 0.02 -0.52 -0.14 0.00 0.41 0.00 0.00 41.25 41.03 1uks s ASN 683 CO 0.23 0.12 1.63 1.87 -1.51 0.00 0.00 177.10 179.44 1uks n TRP 684 N 3.21 2.13 -3.20 2.20 -0.00 -0.11 -4.87 117.44 116.81 1uks n TRP 684 Ca -0.18 0.28 -0.43 0.00 -0.00 0.00 0.00 57.50 57.18 1uks n TRP 684 Cb 0.53 -2.53 -0.07 0.00 -0.00 0.00 0.00 31.31 29.24 1uks n TRP 684 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1uks s GLN 685 N 1.89 3.33 0.00 5.87 -0.21 -1.26 -5.03 119.66 124.26 1uks s GLN 685 Ca 0.85 -0.40 0.14 0.00 0.02 0.00 0.00 55.36 55.97 1uks s GLN 685 Cb -0.77 -3.91 0.81 0.00 1.00 0.00 0.00 33.01 30.14 1uks s GLN 685 CO 0.45 -0.87 1.24 -0.35 -2.12 0.00 0.00 175.29 173.64