#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 2.32 0.45 0.00 0.04 -1.26 -4.63 135.00 131.92 1uks s PRO 2 Ca 0.00 1.01 0.17 0.00 0.04 0.00 0.00 61.00 62.22 1uks s PRO 2 Cb 0.00 -1.92 1.10 0.00 0.04 0.00 0.00 34.50 33.72 1uks s PRO 2 CO 0.00 -1.55 1.95 0.38 0.04 0.00 0.00 177.00 177.82 1uks h ASP 3 N -1.05 0.32 0.60 6.66 -0.00 -1.93 -2.00 116.42 119.02 1uks h ASP 3 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 56.60 1uks h ASP 3 Cb 1.23 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 40.51 1uks h ASP 3 CO 0.54 0.18 0.00 0.35 -0.00 0.00 0.00 179.24 180.31 1uks n THR 4 N -4.46 0.02 -1.80 1.15 -2.24 -1.26 -4.81 114.28 100.88 1uks n THR 4 Ca 0.12 0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.53 1uks n THR 4 Cb 0.50 -0.51 0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.61 5.07 0.58 3.42 0.15 -0.76 -4.90 113.70 114.65 1uks s SER 5 Ca 0.27 2.68 0.35 0.00 0.70 0.00 0.00 55.95 59.95 1uks s SER 5 Cb 0.20 -2.63 1.73 0.00 -1.71 0.00 0.00 66.02 63.61 1uks s SER 5 CO 0.46 -1.70 2.14 1.62 1.20 0.00 0.00 173.24 176.96 1uks h VAL 6 N 1.12 0.21 0.00 4.45 3.04 -1.90 -2.44 116.25 120.73 1uks h VAL 6 Ca -0.51 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 1uks h VAL 6 Cb 1.31 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1uks h VAL 6 CO 0.56 0.04 0.00 -1.54 -1.01 0.00 0.00 177.57 175.62 1uks n SER 7 N -3.28 0.00 -4.53 3.17 3.41 -1.26 -4.52 113.62 106.61 1uks n SER 7 Ca -0.01 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.64 1uks n SER 7 Cb 0.21 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.28 6.48 0.00 4.04 2.47 -0.92 -4.78 114.94 119.96 1uks s ASN 8 Ca 0.36 -1.48 0.28 0.00 0.42 0.00 0.00 52.86 52.44 1uks s ASN 8 Cb 0.20 -2.52 1.05 0.00 -1.45 0.00 0.00 41.25 38.53 1uks s ASN 8 CO 0.39 -1.42 1.79 0.29 -3.72 0.00 0.00 177.10 174.42 1uks n LYS 9 N 8.28 0.05 0.02 0.43 5.02 -1.26 -4.15 118.16 126.54 1uks n LYS 9 Ca 0.26 -0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 1uks n LYS 9 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 1uks n LYS 9 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1uks h GLN 10 N 0.03 0.11 -4.70 1.97 7.50 -1.85 0.44 115.11 118.60 1uks h GLN 10 Ca 0.00 -0.18 -0.45 0.00 0.50 0.00 0.00 58.65 58.52 1uks h GLN 10 Cb 0.49 0.07 -0.31 0.00 0.05 0.00 0.00 27.48 27.77 1uks h GLN 10 CO 0.00 0.84 -0.80 -0.80 -1.50 0.00 0.00 178.83 176.58 1uks s ASN 11 N -6.56 1.38 -0.01 1.46 0.01 -1.26 -4.07 114.94 105.89 1uks s ASN 11 Ca -0.07 -0.22 0.02 0.00 -0.71 0.00 0.00 52.86 51.88 1uks s ASN 11 Cb 0.08 -0.38 0.03 0.00 0.41 0.00 0.00 41.25 41.38 1uks s ASN 11 CO 0.82 0.08 1.01 0.49 -1.51 0.00 0.00 177.10 178.00 1uks n PHE 12 N 3.29 0.00 0.31 2.20 3.01 -1.26 -4.76 117.46 120.25 1uks n PHE 12 Ca -0.18 -0.54 0.18 0.00 1.01 0.00 0.00 57.45 57.92 1uks n PHE 12 Cb 0.54 -0.06 1.04 0.00 -0.01 0.00 0.00 39.48 40.99 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 0.01 0.00 0.19 4.37 0.02 -1.81 0.21 113.55 116.54 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 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1uks h SER 13 CO 0.00 0.00 -0.08 0.35 -1.14 0.00 0.00 176.83 175.97 1uks n THR 14 N -3.51 0.00 -3.65 -2.27 -2.24 -1.26 -4.60 114.28 96.75 1uks n THR 14 Ca -0.03 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.45 1uks n THR 14 Cb 0.08 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.27 5.91 -0.16 3.42 1.11 0.06 -3.66 116.67 121.08 1uks s ASP 15 Ca 0.34 -0.19 0.00 0.00 0.18 0.00 0.00 52.55 52.88 1uks s ASP 15 Cb 0.21 -1.32 0.04 0.00 1.07 0.00 0.00 42.92 42.91 1uks s ASP 15 CO 0.43 -0.33 -0.08 -0.69 1.18 0.00 0.00 175.17 175.67 1uks s VAL 16 N -2.16 1.32 0.11 -1.27 1.01 -1.26 -4.24 120.40 113.91 1uks s VAL 16 Ca 0.42 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 1uks s VAL 16 Cb -0.09 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 1uks s VAL 16 CO 0.30 0.23 0.65 -0.63 0.00 0.00 0.00 175.10 175.64 1uks s ILE 17 N 1.56 4.61 -0.24 2.22 1.01 0.40 -1.91 121.20 128.85 1uks s ILE 17 Ca 0.01 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 62.03 1uks s ILE 17 Cb -0.15 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1uks s ILE 17 CO -0.08 0.52 -0.08 -0.47 0.00 0.00 0.00 174.94 174.83 1uks s TYR 18 N -1.15 3.03 -0.32 3.97 6.14 -0.15 -0.65 117.35 128.21 1uks s TYR 18 Ca 0.32 -1.54 -0.23 0.00 0.64 0.00 0.00 57.07 56.26 1uks s TYR 18 Cb -0.21 -2.04 0.00 0.00 0.42 0.00 0.00 41.96 40.14 1uks s TYR 18 CO 0.22 -0.73 0.79 -1.14 0.64 0.00 0.00 175.55 175.32 1uks s GLN 19 N 1.33 3.91 -0.15 4.97 0.74 -0.04 -0.97 119.66 129.45 1uks s GLN 19 Ca 0.01 0.51 -0.02 0.00 0.05 0.00 0.00 55.36 55.91 1uks s GLN 19 Cb -0.16 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 1uks s GLN 19 CO -0.05 -0.72 -0.09 0.42 -0.55 0.00 0.00 175.29 174.29 1uks s ILE 20 N 3.00 3.38 -0.59 -2.34 1.01 0.12 -1.06 121.20 124.71 1uks s ILE 20 Ca 0.32 -0.54 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 1uks s ILE 20 Cb -0.14 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 39.93 1uks s ILE 20 CO 0.14 0.50 0.89 -0.36 0.00 0.00 0.00 174.94 176.11 1uks s PHE 21 N 0.49 2.79 0.29 3.97 0.40 -1.26 -3.14 117.98 121.52 1uks s PHE 21 Ca -0.07 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1uks s PHE 21 Cb -0.15 -4.09 0.75 0.00 0.51 0.00 0.00 43.02 40.04 1uks s PHE 21 CO 0.04 -1.43 1.71 1.15 0.70 0.00 0.00 175.22 177.38 1uks h THR 22 N 5.97 0.50 0.00 0.64 2.02 -1.90 -0.81 112.91 119.33 1uks h THR 22 Ca -0.28 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1uks h THR 22 Cb 1.08 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1uks h THR 22 CO 1.11 0.08 -0.14 -0.78 0.37 0.00 0.00 175.52 176.17 1uks h ASP 23 N 0.45 0.00 -0.52 4.18 1.82 -1.78 -2.93 116.42 117.64 1uks h ASP 23 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.21 1uks h ASP 23 Cb 1.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1uks h ASP 23 CO -0.51 0.14 0.00 0.54 -1.61 0.00 0.00 179.24 177.80 1uks n ARG 24 N -3.46 2.60 0.00 0.28 5.12 -0.32 -1.16 116.66 119.73 1uks n ARG 24 Ca -0.01 -2.35 0.00 0.00 -1.93 0.00 0.00 57.85 53.56 1uks n ARG 24 Cb 0.30 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 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 1.28 0.00 -3.70 -1.55 7.35 -1.11 -2.21 117.46 117.52 1uks n PHE 25 Ca 0.19 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.76 1uks n PHE 25 Cb 0.55 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.25 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 -2.70 -0.07 -0.88 -2.13 0.15 -1.26 -4.67 113.70 102.14 1uks s SER 26 Ca 0.00 0.57 -0.23 0.00 0.70 0.00 0.00 55.95 56.99 1uks s SER 26 Cb 0.00 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 1uks s SER 26 CO 0.00 -0.19 1.25 -0.62 1.20 0.00 0.00 173.24 174.88 1uks s ASP 27 N 1.66 6.41 0.07 5.45 3.68 -1.26 -1.31 116.67 131.37 1uks s ASP 27 Ca -0.06 -1.34 0.25 0.00 2.13 0.00 0.00 52.55 53.53 1uks s ASP 27 Cb -0.11 -2.50 0.46 0.00 -1.45 0.00 0.00 42.92 39.33 1uks s ASP 27 CO -0.09 -1.44 1.40 0.61 0.13 0.00 0.00 175.17 175.78 1uks n GLY 28 N 5.97 -1.36 2.62 2.66 0.00 -1.26 -4.69 105.19 109.13 1uks n GLY 28 Ca 0.19 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1uks n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uks s ASN 29 N -3.68 2.97 0.36 1.61 2.47 -1.26 -4.77 114.94 112.64 1uks s ASN 29 Ca 0.09 -0.95 0.26 0.00 0.42 0.00 0.00 52.86 52.68 1uks s ASN 29 Cb 0.15 -0.39 0.85 0.00 -1.45 0.00 0.00 41.25 40.41 1uks s ASN 29 CO 0.70 -0.38 1.77 -0.65 -3.72 0.00 0.00 177.10 174.82 1uks h PRO 30 N 8.36 0.00 0.00 0.43 0.11 -1.90 -3.32 132.00 135.69 1uks h PRO 30 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1uks h PRO 30 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1uks h PRO 30 CO 0.36 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 1uks h ALA 31 N 2.21 1.00 -0.42 -0.75 0.00 -1.98 -1.44 119.26 117.87 1uks h ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uks h ALA 31 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1uks h ALA 31 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.52 1uks n ASN 32 N -2.53 3.05 -4.72 0.00 0.23 -1.25 -4.96 115.26 105.09 1uks n ASN 32 Ca 0.02 -1.94 -0.42 0.00 -0.53 0.00 0.00 54.58 51.70 1uks n ASN 32 Cb 0.26 -0.28 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 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 -1.33 7.04 0.90 0.53 -0.87 -0.55 -4.29 114.94 116.37 1uks s ASN 33 Ca 0.38 2.10 -0.13 0.00 -1.57 0.00 0.00 52.86 53.64 1uks s ASN 33 Cb 0.21 -2.58 0.02 0.00 -0.02 0.00 0.00 41.25 38.88 1uks s ASN 33 CO 0.29 -0.48 0.47 -2.65 -2.57 0.00 0.00 177.10 172.16 1uks n PRO 34 N 3.71 -0.15 -4.22 -0.60 -0.02 -1.26 -5.01 135.00 127.45 1uks n PRO 34 Ca 0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 1uks n PRO 34 Cb 0.45 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 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 -2.28 2.46 0.00 3.45 -4.23 -1.26 -4.61 115.64 109.16 1uks s THR 35 Ca 0.59 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1uks s THR 35 Cb -0.24 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1uks s THR 35 CO 0.65 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1uks n GLY 36 N -1.13 2.94 0.31 3.99 0.00 -1.26 -2.30 105.19 107.75 1uks n GLY 36 Ca -0.02 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 45.90 1uks n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uks h ALA 37 N -0.85 1.15 -0.00 4.61 0.00 -2.04 -2.10 119.26 120.03 1uks h ALA 37 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uks h ALA 37 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uks h ALA 37 CO 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.12 1uks n ALA 38 N -2.16 2.69 -2.87 0.00 0.00 -0.97 -4.91 120.51 112.29 1uks n ALA 38 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1uks n ALA 38 Cb 0.12 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.99 1.30 -0.29 0.00 5.36 -0.79 -1.14 117.98 119.44 1uks s PHE 39 Ca 0.13 -0.33 -0.03 0.00 -0.96 0.00 0.00 56.93 55.75 1uks s PHE 39 Cb 0.19 -0.88 0.10 0.00 -0.34 0.00 0.00 43.02 42.08 1uks s PHE 39 CO 0.58 -0.10 0.11 0.34 -1.46 0.00 0.00 175.22 174.68 1uks s ASP 40 N 0.00 3.67 0.50 6.13 2.15 0.72 -4.76 116.67 125.09 1uks s ASP 40 Ca -0.01 -1.39 0.26 0.00 0.43 0.00 0.00 52.55 51.84 1uks s ASP 40 Cb -0.09 -0.59 1.34 0.00 -0.30 0.00 0.00 42.92 43.28 1uks s ASP 40 CO 0.01 -0.42 2.03 1.23 -0.17 0.00 0.00 175.17 177.85 1uks h GLY 41 N 8.26 0.00 2.00 2.66 0.00 -1.79 0.41 103.07 114.61 1uks h GLY 41 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1uks h GLY 41 CO 0.44 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.84 1uks n SER 42 N -3.64 0.32 -3.88 0.19 3.41 -1.26 -4.93 113.62 103.83 1uks n SER 42 Ca -0.02 0.53 -0.29 0.00 -0.26 0.00 0.00 58.87 58.84 1uks n SER 42 Cb 0.27 -0.62 0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1uks n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uks h THR 44 N -2.07 1.28 -3.40 0.00 2.02 -1.92 -3.42 112.91 105.40 1uks h THR 44 Ca -0.59 -2.96 -0.73 0.00 0.77 0.00 0.00 66.41 62.90 1uks h THR 44 Cb 1.37 2.75 -0.22 0.00 -1.74 0.00 0.00 68.15 70.32 1uks h THR 44 CO 0.65 0.82 -0.38 0.21 0.37 0.00 0.00 175.52 177.19 1uks s ASN 45 N -6.81 6.12 0.00 4.18 3.84 -1.26 -4.92 114.94 116.09 1uks s ASN 45 Ca -0.05 -1.13 0.08 0.00 0.21 0.00 0.00 52.86 51.97 1uks s ASN 45 Cb 0.08 -2.17 0.47 0.00 -0.55 0.00 0.00 41.25 39.08 1uks s ASN 45 CO 0.84 -0.55 0.99 0.18 -2.79 0.00 0.00 177.10 175.77 1uks n LEU 46 N 5.18 0.00 -0.45 3.21 4.32 -1.26 -2.55 117.00 125.44 1uks n LEU 46 Ca -0.12 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.94 1uks n LEU 46 Cb 0.45 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.29 1uks n LEU 46 CO 0.44 0.00 0.39 0.54 -1.22 0.00 0.00 177.39 177.54 1uks n ARG 47 N -0.70 1.15 -3.73 3.23 1.74 -1.26 -4.89 116.66 112.20 1uks n ARG 47 Ca 0.06 -1.10 -0.23 0.00 -0.77 0.00 0.00 57.85 55.81 1uks n ARG 47 Cb 0.03 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.30 3.19 0.11 0.55 1.43 -1.06 -0.93 118.68 120.68 1uks s LEU 48 Ca 0.14 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 1uks s LEU 48 Cb 0.11 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.51 1uks s LEU 48 CO 0.21 -0.74 1.18 -0.31 0.23 0.00 0.00 176.35 176.92 1uks s TYR 49 N -2.56 3.47 -0.59 0.29 2.02 -0.29 -4.80 117.35 114.89 1uks s TYR 49 Ca 0.44 1.39 0.21 0.00 -0.37 0.00 0.00 57.07 58.75 1uks s TYR 49 Cb -0.02 -3.39 -0.26 0.00 -0.40 0.00 0.00 41.96 37.89 1uks s TYR 49 CO 0.26 -1.11 0.73 0.00 -1.57 0.00 0.00 175.55 173.86 1uks n GLY 51 N 1.40 1.10 3.78 0.00 0.00 -1.25 -4.52 105.19 105.70 1uks n GLY 51 Ca 0.01 0.00 -0.41 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 -1.91 2.96 0.28 -0.02 0.00 -0.31 -4.34 107.32 103.98 1uks s GLY 52 Ca 0.00 1.46 -0.03 0.00 0.00 0.00 0.00 44.72 46.15 1uks s GLY 52 CO 0.00 2.13 0.41 2.09 0.00 0.00 0.00 173.10 177.73 1uks n ASP 53 N 0.57 -1.16 -0.01 1.64 5.68 -0.43 -3.66 116.55 119.19 1uks n ASP 53 Ca 0.01 -2.43 -0.07 0.00 -0.50 0.00 0.00 54.79 51.79 1uks n ASP 53 Cb 0.40 2.11 0.10 0.00 -1.14 0.00 0.00 41.12 42.59 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 1.78 0.69 -0.42 2.11 6.55 -1.59 -2.05 115.95 123.01 1uks h TRP 54 Ca -0.22 -0.19 0.03 0.00 0.95 0.00 0.00 58.89 59.46 1uks h TRP 54 Cb 0.93 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 29.05 1uks h TRP 54 CO 0.00 0.88 0.28 0.37 -1.05 0.00 0.00 178.44 178.92 1uks h GLN 55 N 0.48 0.42 -0.25 0.49 5.75 -1.89 -0.66 115.11 119.45 1uks h GLN 55 Ca 0.04 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1uks h GLN 55 Cb 0.89 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.33 1uks h GLN 55 CO 0.08 0.28 -0.32 0.78 -2.65 0.00 0.00 178.83 176.99 1uks h GLY 56 N 0.44 0.57 1.13 2.39 0.00 -1.44 -0.18 103.07 105.97 1uks h GLY 56 Ca 0.17 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.79 1uks h GLY 56 CO -0.04 0.47 -0.65 -2.22 0.00 0.00 0.00 176.54 174.09 1uks h ILE 57 N 0.45 1.28 -0.50 2.60 2.04 -1.16 -2.12 117.51 120.09 1uks h ILE 57 Ca 0.05 -1.85 0.03 0.00 1.00 0.00 0.00 64.86 64.09 1uks h ILE 57 Cb 0.78 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1uks h ILE 57 CO 0.06 0.59 0.30 0.40 0.00 0.00 0.00 178.15 179.50 1uks h ILE 58 N 0.55 1.04 -0.86 -0.67 2.04 -0.74 -1.47 117.51 117.40 1uks h ILE 58 Ca -0.02 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1uks h ILE 58 Cb 1.27 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1uks h ILE 58 CO 0.14 0.11 0.57 0.78 0.00 0.00 0.00 178.15 179.75 1uks h ASN 59 N 0.59 0.97 1.52 1.72 2.35 -0.99 -0.80 115.58 120.94 1uks h ASN 59 Ca 0.20 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1uks h ASN 59 Cb 0.03 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1uks h ASN 59 CO -0.10 0.70 0.00 0.11 -1.65 0.00 0.00 177.43 176.49 1uks h LYS 60 N 1.15 0.00 0.03 0.81 1.79 -0.63 0.10 116.57 119.82 1uks h LYS 60 Ca 0.32 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 1uks h LYS 60 Cb -0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1uks h LYS 60 CO -0.08 0.00 -0.15 0.82 -1.08 0.00 0.00 179.45 178.96 1uks h ILE 61 N 0.00 1.75 -0.20 1.86 2.04 -0.95 -1.26 117.51 120.75 1uks h ILE 61 Ca 0.00 -2.38 -0.09 0.00 1.00 0.00 0.00 64.86 63.39 1uks h ILE 61 Cb 0.76 3.36 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 1uks h ILE 61 CO 0.00 0.63 -0.26 0.78 0.00 0.00 0.00 178.15 179.30 1uks h ASN 62 N -0.88 0.37 0.04 1.72 -0.26 -1.01 -3.05 115.58 112.51 1uks h ASN 62 Ca -0.03 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1uks h ASN 62 Cb 1.12 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 38.28 1uks h ASN 62 CO 0.03 0.63 -0.02 -0.90 -1.06 0.00 0.00 177.43 176.11 1uks n ASP 63 N -4.13 0.76 0.00 5.81 5.68 0.01 -4.92 116.55 119.76 1uks n ASP 63 Ca -0.01 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1uks n ASP 63 Cb 0.39 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 1.12 0.69 0.09 6.12 0.00 -1.15 -4.98 105.19 107.08 1uks n GLY 64 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.11 -0.11 1.61 3.20 -1.71 -1.44 116.97 118.42 1uks h TYR 65 Ca 0.00 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 1uks h TYR 65 Cb 0.00 0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.32 1uks h TYR 65 CO 0.00 0.30 -0.86 -0.07 -1.64 0.00 0.00 178.16 175.89 1uks h LEU 66 N -0.55 0.92 -0.50 2.82 4.07 -1.53 -3.27 115.31 117.26 1uks h LEU 66 Ca -0.01 -0.65 -0.17 0.00 0.08 0.00 0.00 57.88 57.14 1uks h LEU 66 Cb 0.46 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1uks h LEU 66 CO 0.02 1.45 -0.70 0.71 -1.08 0.00 0.00 178.44 178.84 1uks h THR 67 N 0.49 1.41 0.00 0.22 1.35 -1.78 -2.95 112.91 111.65 1uks h THR 67 Ca -0.08 -2.17 -0.02 0.00 -0.55 0.00 0.00 66.41 63.60 1uks h THR 67 Cb 1.50 2.13 -0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1uks h THR 67 CO 0.17 0.64 -0.08 1.23 -0.25 0.00 0.00 175.52 177.23 1uks h GLY 68 N 1.51 0.00 2.00 5.82 0.00 -1.36 -1.50 103.07 109.54 1uks h GLY 68 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1uks h GLY 68 CO 0.11 0.00 0.00 1.98 0.00 0.00 0.00 176.54 178.63 1uks h MET 69 N 0.00 0.00 0.00 4.80 -1.53 -1.56 -3.44 114.93 113.20 1uks h MET 69 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1uks h MET 69 Cb 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 1uks h MET 69 CO 0.01 0.00 0.00 0.41 0.14 0.00 0.00 176.91 177.47 1uks n GLY 70 N 1.17 0.76 3.75 1.39 0.00 -0.57 -2.73 105.19 108.96 1uks n GLY 70 Ca 0.05 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 2.68 0.00 -0.61 -1.09 -1.22 -4.61 121.20 114.36 1uks s ILE 71 Ca 0.00 0.61 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1uks s ILE 71 Cb 0.00 -3.39 0.00 0.00 -1.58 0.00 0.00 42.46 37.49 1uks s ILE 71 CO 0.00 0.11 0.76 0.35 -1.23 0.00 0.00 174.94 174.93 1uks n THR 72 N 1.85 0.58 -3.66 2.92 -2.24 -0.80 -4.80 114.28 108.14 1uks n THR 72 Ca 0.05 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.97 1uks n THR 72 Cb 0.41 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.58 -1.24 -0.03 6.98 0.00 -1.04 -1.17 121.76 124.68 1uks s ALA 73 Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1uks s ALA 73 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1uks s ALA 73 CO 0.00 -0.30 -0.21 -1.50 0.00 0.00 0.00 175.76 173.75 1uks s ILE 74 N -1.04 1.70 -0.21 0.00 2.07 0.02 -0.98 121.20 122.77 1uks s ILE 74 Ca -0.11 -0.89 0.02 0.00 -1.41 0.00 0.00 60.65 58.26 1uks s ILE 74 Cb -0.03 -1.43 0.04 0.00 0.13 0.00 0.00 42.46 41.16 1uks s ILE 74 CO 0.06 0.48 -0.15 0.86 -1.91 0.00 0.00 174.94 174.28 1uks s TRP 75 N -0.25 2.92 0.31 3.50 -0.00 -0.14 -0.13 118.94 125.14 1uks s TRP 75 Ca 0.02 -1.90 0.09 0.00 -0.00 0.00 0.00 56.10 54.31 1uks s TRP 75 Cb -0.11 -1.89 -0.05 0.00 -0.00 0.00 0.00 33.47 31.43 1uks s TRP 75 CO 0.01 -0.83 0.02 0.96 -0.00 0.00 0.00 176.95 177.12 1uks s ILE 76 N 1.23 3.00 0.67 5.86 -4.36 -0.77 0.12 121.20 126.95 1uks s ILE 76 Ca -0.01 -1.92 -0.17 0.00 -0.26 0.00 0.00 60.65 58.29 1uks s ILE 76 Cb -0.16 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.71 1uks s ILE 76 CO -0.09 -0.27 0.92 -1.20 0.24 0.00 0.00 174.94 174.54 1uks n SER 77 N -0.95 0.45 -4.64 4.36 7.64 -1.19 -2.25 113.62 117.04 1uks n SER 77 Ca -0.05 0.72 -0.50 0.00 1.01 0.00 0.00 58.87 60.05 1uks n SER 77 Cb 0.61 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.37 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 -1.37 1.58 0.00 1.43 7.27 -1.26 -4.47 117.38 120.56 1uks n GLN 78 Ca 0.13 0.57 0.13 0.00 0.07 0.00 0.00 57.00 57.90 1uks n GLN 78 Cb 0.49 -2.28 0.47 0.00 2.41 0.00 0.00 30.24 31.32 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 3.62 0.00 -1.79 3.69 -0.04 -1.26 -4.71 135.00 134.50 1uks n PRO 79 Ca 0.19 -0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 1uks n PRO 79 Cb 0.22 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.00 4.09 0.16 0.52 -7.23 -1.26 -1.01 120.40 112.68 1uks s VAL 80 Ca 0.13 0.78 -0.32 0.00 -1.81 0.00 0.00 61.98 60.76 1uks s VAL 80 Cb 0.18 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.55 1uks s VAL 80 CO 0.60 -0.79 1.58 -0.70 -0.31 0.00 0.00 175.10 175.48 1uks s GLU 81 N -4.73 4.21 0.36 4.82 2.12 -0.87 -3.60 118.70 121.01 1uks s GLU 81 Ca 0.59 2.37 0.08 0.00 0.36 0.00 0.00 54.97 58.37 1uks s GLU 81 Cb -0.14 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 1uks s GLU 81 CO 0.48 -0.62 0.32 -0.80 -0.54 0.00 0.00 175.26 174.10 1uks s ASN 82 N 1.22 5.23 0.53 -1.70 0.02 -1.26 -0.66 114.94 118.32 1uks s ASN 82 Ca 0.70 -0.56 -0.22 0.00 -1.02 0.00 0.00 52.86 51.76 1uks s ASN 82 Cb -0.44 -0.85 -0.05 0.00 0.02 0.00 0.00 41.25 39.92 1uks s ASN 82 CO 0.31 -0.44 1.32 0.27 0.02 0.00 0.00 177.10 178.57 1uks s ILE 83 N -2.35 2.31 -1.02 0.60 -4.36 -0.65 -4.65 121.20 111.08 1uks s ILE 83 Ca 0.43 0.23 0.25 0.00 -0.26 0.00 0.00 60.65 61.30 1uks s ILE 83 Cb -0.05 -3.12 0.01 0.00 1.25 0.00 0.00 42.46 40.55 1uks s ILE 83 CO 0.27 -0.00 1.42 -1.22 0.24 0.00 0.00 174.94 175.64 1uks n TYR 84 N -0.90 0.00 -1.74 1.37 4.01 -1.26 -4.60 117.16 114.04 1uks n TYR 84 Ca 0.10 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.44 1uks n TYR 84 Cb 0.46 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 39.26 1uks n TYR 84 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1uks n SER 85 N -1.47 2.97 -4.59 7.72 7.64 -1.26 -5.00 113.62 119.62 1uks n SER 85 Ca 0.06 1.09 -0.37 0.00 1.01 0.00 0.00 58.87 60.65 1uks n SER 85 Cb 0.34 -1.57 -0.11 0.00 -1.01 0.00 0.00 64.21 61.86 1uks n SER 85 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1uks s VAL 86 N -1.21 5.16 -0.12 0.44 1.01 -1.26 -4.62 120.40 119.79 1uks s VAL 86 Ca 0.63 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 1uks s VAL 86 Cb -0.46 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1uks s VAL 86 CO 0.56 0.30 0.06 -0.63 0.00 0.00 0.00 175.10 175.39 1uks s ILE 87 N 1.50 4.83 -0.33 2.22 1.01 0.14 -4.86 121.20 125.72 1uks s ILE 87 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 1uks s ILE 87 Cb -0.15 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1uks s ILE 87 CO 0.08 0.57 0.16 0.21 0.00 0.00 0.00 174.94 175.96 1uks s ASN 88 N -0.62 5.53 -0.36 3.58 3.84 -1.26 0.76 114.94 126.41 1uks s ASN 88 Ca 0.11 -0.78 -0.05 0.00 0.21 0.00 0.00 52.86 52.36 1uks s ASN 88 Cb -0.12 -1.98 0.07 0.00 -0.55 0.00 0.00 41.25 38.67 1uks s ASN 88 CO 0.02 -0.27 0.13 -0.31 -2.79 0.00 0.00 177.10 173.87 1uks s TYR 89 N 1.55 3.35 -1.40 0.43 2.02 0.53 -4.72 117.35 119.11 1uks s TYR 89 Ca 0.03 -1.80 -0.06 0.00 -0.37 0.00 0.00 57.07 54.86 1uks s TYR 89 Cb -0.18 -2.57 0.04 0.00 -0.40 0.00 0.00 41.96 38.84 1uks s TYR 89 CO 0.05 -0.83 0.84 0.43 -1.57 0.00 0.00 175.55 174.47 1uks n SER 90 N 4.72 -2.87 0.00 2.29 7.64 -1.26 -0.73 113.62 123.41 1uks n SER 90 Ca -0.10 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1uks n SER 90 Cb 0.43 -4.02 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 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 -1.64 1.60 3.53 0.23 0.00 -1.26 -5.01 105.19 102.64 1uks n GLY 91 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1uks n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uks s VAL 92 N -2.56 4.59 0.34 1.61 1.01 0.09 -5.07 120.40 120.40 1uks s VAL 92 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 1uks s VAL 92 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1uks s VAL 92 CO 0.00 0.38 1.01 0.20 0.00 0.00 0.00 175.10 176.69 1uks s ASN 93 N 1.13 7.14 -0.00 3.32 0.01 -1.26 -0.35 114.94 124.93 1uks s ASN 93 Ca 0.05 2.00 0.01 0.00 -0.71 0.00 0.00 52.86 54.20 1uks s ASN 93 Cb -0.14 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 1uks s ASN 93 CO 0.03 -0.21 -0.04 0.20 -1.51 0.00 0.00 177.10 175.57 1uks s ASN 94 N -1.43 0.44 0.39 -1.22 0.01 0.23 -4.66 114.94 108.70 1uks s ASN 94 Ca 0.51 -0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.62 1uks s ASN 94 Cb -0.23 -0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 1uks s ASN 94 CO 0.29 0.04 0.07 0.42 -1.51 0.00 0.00 177.10 176.41 1uks s THR 95 N -0.11 1.05 -0.05 1.60 -4.23 -0.11 -0.68 115.64 113.11 1uks s THR 95 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 1uks s THR 95 Cb -0.02 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.31 1uks s THR 95 CO -0.00 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.35 1uks n ALA 96 N -0.87 3.09 -0.17 3.99 0.00 -1.26 -4.59 120.51 120.71 1uks n ALA 96 Ca -0.06 -0.31 0.22 0.00 0.00 0.00 0.00 53.44 53.29 1uks n ALA 96 Cb 0.66 -1.05 0.61 0.00 0.00 0.00 0.00 19.45 19.67 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 0.29 0.27 0.00 0.00 -0.00 -1.89 -1.53 116.97 114.11 1uks h TYR 97 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.80 1uks h TYR 97 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 36.73 37.80 1uks h TYR 97 CO 0.20 0.08 0.00 -2.39 -0.00 0.00 0.00 178.16 176.05 1uks n HIS 98 N -4.41 0.07 -0.00 0.10 1.44 -1.26 -4.46 115.22 106.71 1uks n HIS 98 Ca 0.17 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1uks n HIS 98 Cb 0.75 -0.54 0.00 0.00 0.12 0.00 0.00 29.99 30.32 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 0.98 2.71 0.00 -1.39 0.00 -0.58 -4.50 105.19 102.42 1uks n GLY 99 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.00 -3.33 1.61 4.01 -1.26 -4.45 117.16 111.74 1uks n TYR 100 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1uks n TYR 100 Cb 0.00 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 38.74 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 -1.24 3.27 -2.42 -0.72 8.01 -1.26 -4.82 117.44 118.26 1uks n TRP 101 Ca 0.10 -3.64 -0.39 0.00 -1.31 0.00 0.00 57.50 52.26 1uks n TRP 101 Cb 0.13 -0.87 -0.03 0.00 -2.01 0.00 0.00 31.31 28.53 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 -2.41 3.25 0.00 6.99 0.00 -0.84 -1.63 121.76 127.12 1uks s ALA 102 Ca 0.35 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1uks s ALA 102 Cb 0.08 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1uks s ALA 102 CO 0.01 -0.31 0.00 2.89 0.00 0.00 0.00 175.76 178.35 1uks n ARG 103 N 0.50 1.35 -3.49 0.00 1.85 0.17 -3.96 116.66 113.08 1uks n ARG 103 Ca 0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.75 1uks n ARG 103 Cb 0.46 -0.99 -0.11 0.00 -1.05 0.00 0.00 32.46 30.78 1uks n ARG 103 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1uks s ASP 104 N -2.29 0.53 0.00 2.89 3.68 -0.81 -1.12 116.67 119.55 1uks s ASP 104 Ca 0.00 0.26 0.26 0.00 2.13 0.00 0.00 52.55 55.20 1uks s ASP 104 Cb 0.00 0.85 1.49 0.00 -1.45 0.00 0.00 42.92 43.81 1uks s ASP 104 CO 0.00 -0.29 1.90 0.49 0.13 0.00 0.00 175.17 177.41 1uks n PHE 105 N 5.35 0.00 0.02 -5.34 3.01 -1.26 -2.25 117.46 116.99 1uks n PHE 105 Ca -0.05 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.45 1uks n PHE 105 Cb 0.50 -0.08 0.10 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.08 2.08 -4.51 -1.08 5.02 -1.26 -4.90 118.16 112.43 1uks n LYS 106 Ca 0.18 -1.66 -0.24 0.00 -2.02 0.00 0.00 58.31 54.56 1uks n LYS 106 Cb 0.12 -1.20 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 1uks n LYS 106 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1uks s LYS 107 N -0.92 1.74 0.47 1.97 1.02 -1.17 -4.88 119.74 117.96 1uks s LYS 107 Ca 0.16 -1.94 -0.00 0.00 0.02 0.00 0.00 55.97 54.20 1uks s LYS 107 Cb 0.09 -1.26 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 1uks s LYS 107 CO 0.12 -0.06 0.70 0.95 -0.92 0.00 0.00 175.35 176.15 1uks s THR 108 N -2.98 3.89 -0.46 2.17 -4.23 -1.26 -2.05 115.64 110.72 1uks s THR 108 Ca 0.34 -0.44 -0.28 0.00 -1.18 0.00 0.00 61.69 60.13 1uks s THR 108 Cb 0.07 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.49 1uks s THR 108 CO 0.15 -0.33 1.05 0.21 -0.54 0.00 0.00 174.62 175.16 1uks s ASN 109 N -4.24 6.60 0.50 3.99 3.84 -0.18 -3.53 114.94 121.93 1uks s ASN 109 Ca 0.50 0.38 0.31 0.00 0.21 0.00 0.00 52.86 54.26 1uks s ASN 109 Cb -0.10 -2.51 1.70 0.00 -0.55 0.00 0.00 41.25 39.79 1uks s ASN 109 CO 0.39 -1.15 1.95 1.55 -2.79 0.00 0.00 177.10 177.05 1uks h PRO 110 N 9.08 0.00 0.00 0.43 0.13 -1.92 -0.17 132.00 139.56 1uks h PRO 110 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1uks h PRO 110 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1uks h PRO 110 CO 1.08 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 178.26 1uks h ALA 111 N 1.85 0.98 0.12 -0.56 0.00 -1.93 -3.06 119.26 116.66 1uks h ALA 111 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 54.91 54.07 1uks h ALA 111 Cb 0.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uks h ALA 111 CO 0.00 0.74 -1.46 1.88 0.00 0.00 0.00 179.25 180.41 1uks h TYR 112 N 0.00 0.47 0.00 0.00 0.05 -1.32 -3.43 116.97 112.74 1uks h TYR 112 Ca -0.01 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1uks h TYR 112 Cb 1.08 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1uks h TYR 112 CO 0.00 1.36 0.00 0.41 -1.05 0.00 0.00 178.16 178.88 1uks n GLY 113 N 1.63 -1.33 3.99 3.88 0.00 -0.97 -1.57 105.19 110.82 1uks n GLY 113 Ca -0.14 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.19 2.23 0.42 2.61 -4.23 -1.26 -3.93 115.64 109.30 1uks s THR 114 Ca 0.00 -0.61 0.11 0.00 -1.18 0.00 0.00 61.69 60.00 1uks s THR 114 Cb 0.00 -2.62 0.20 0.00 1.34 0.00 0.00 72.50 71.42 1uks s THR 114 CO 0.00 0.00 1.99 -0.03 -0.54 0.00 0.00 174.62 176.04 1uks h MET 115 N -0.39 0.22 -0.01 3.99 4.05 -1.98 -0.20 114.93 120.60 1uks h MET 115 Ca -0.37 -0.04 -0.20 0.00 -0.28 0.00 0.00 59.70 58.81 1uks h MET 115 Cb 1.27 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 1uks h MET 115 CO 0.43 0.29 -0.86 1.96 0.23 0.00 0.00 176.91 178.95 1uks h GLN 116 N 0.21 0.27 -0.28 0.39 7.50 -1.98 -0.59 115.11 120.63 1uks h GLN 116 Ca 0.05 -0.28 -0.07 0.00 0.50 0.00 0.00 58.65 58.84 1uks h GLN 116 Cb 0.23 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 1uks h GLN 116 CO 0.01 0.98 -0.14 -0.44 -1.50 0.00 0.00 178.83 177.75 1uks h ASP 117 N 0.16 0.46 -0.01 1.46 3.32 -1.69 -0.02 116.42 120.11 1uks h ASP 117 Ca -0.05 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1uks h ASP 117 Cb 1.48 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.91 1uks h ASP 117 CO 0.14 0.63 -0.00 0.15 -1.72 0.00 0.00 179.24 178.44 1uks h PHE 118 N 0.44 0.02 -0.53 4.55 3.04 -0.70 -0.78 116.94 122.98 1uks h PHE 118 Ca 0.08 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.10 1uks h PHE 118 Cb 0.50 -0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.95 1uks h PHE 118 CO 0.02 0.33 0.20 0.87 -2.02 0.00 0.00 178.31 177.71 1uks h LYS 119 N -0.30 0.38 -0.27 1.11 6.56 -0.95 -1.41 116.57 121.69 1uks h LYS 119 Ca 0.00 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1uks h LYS 119 Cb 0.32 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1uks h LYS 119 CO 0.00 0.25 0.03 -0.91 -2.06 0.00 0.00 179.45 176.76 1uks h ASN 120 N 0.39 0.36 -0.26 0.86 4.21 -0.84 -0.45 115.58 119.85 1uks h ASN 120 Ca 0.25 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.68 1uks h ASN 120 Cb 0.27 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 1uks h ASN 120 CO -0.25 0.40 0.02 0.25 -1.29 0.00 0.00 177.43 176.56 1uks h LEU 121 N 0.38 0.44 -0.31 1.61 5.85 -0.39 -0.97 115.31 121.92 1uks h LEU 121 Ca 0.09 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1uks h LEU 121 Cb 0.21 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1uks h LEU 121 CO 0.00 0.61 0.15 0.40 -0.34 0.00 0.00 178.44 179.26 1uks h ILE 122 N 0.24 0.98 -0.26 4.05 1.08 -0.55 -0.80 117.51 122.25 1uks h ILE 122 Ca 0.08 -0.11 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 1uks h ILE 122 Cb 0.38 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1uks h ILE 122 CO 0.01 0.06 -0.05 0.44 -0.69 0.00 0.00 178.15 177.91 1uks h ASP 123 N 0.31 0.50 -0.52 1.72 3.45 -1.06 -0.68 116.42 120.15 1uks h ASP 123 Ca 0.13 -0.36 -0.06 0.00 0.43 0.00 0.00 57.03 57.18 1uks h ASP 123 Cb 0.05 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 1uks h ASP 123 CO -0.10 0.74 0.13 0.74 -1.57 0.00 0.00 179.24 179.18 1uks h THR 124 N 0.25 1.23 -0.14 0.35 2.02 -1.08 -0.03 112.91 115.52 1uks h THR 124 Ca 0.07 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 1uks h THR 124 Cb 0.51 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1uks h THR 124 CO 0.02 0.32 0.01 0.00 0.37 0.00 0.00 175.52 176.24 1uks h ALA 125 N 1.29 0.19 -0.50 6.16 0.00 -0.94 -2.61 119.26 122.86 1uks h ALA 125 Ca 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1uks h ALA 125 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1uks h ALA 125 CO 0.00 -0.12 0.19 0.45 0.00 0.00 0.00 179.25 179.77 1uks h HIS 126 N -0.00 0.77 -0.03 0.00 -0.00 -0.88 0.53 115.15 115.54 1uks h HIS 126 Ca 0.04 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1uks h HIS 126 Cb 0.35 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1uks h HIS 126 CO 0.03 0.65 0.06 0.00 -0.00 0.00 0.00 177.93 178.67 1uks h ALA 127 N 1.04 1.33 -0.35 2.45 0.00 -0.92 0.11 119.26 122.92 1uks h ALA 127 Ca 0.17 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1uks h ALA 127 Cb 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1uks h ALA 127 CO -0.01 -0.07 0.01 0.72 0.00 0.00 0.00 179.25 179.90 1uks n HIS 128 N -3.43 1.15 -3.95 0.00 8.25 -0.31 -4.97 115.22 111.97 1uks n HIS 128 Ca -0.02 -1.19 -0.30 0.00 -0.26 0.00 0.00 57.72 55.95 1uks n HIS 128 Cb 0.14 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 30.84 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 -0.74 -3.88 -4.29 0.41 3.02 0.40 -4.99 115.26 105.18 1uks n ASN 129 Ca 0.28 -0.84 -0.33 0.00 -0.03 0.00 0.00 54.58 53.66 1uks n ASN 129 Cb 1.00 -3.64 -0.15 0.00 -0.61 0.00 0.00 39.78 36.38 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 -3.38 2.85 0.46 2.41 1.01 0.02 -4.74 121.20 119.83 1uks s ILE 130 Ca 0.57 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 60.38 1uks s ILE 130 Cb -0.29 -2.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.88 1uks s ILE 130 CO 0.85 0.50 0.88 -0.54 0.00 0.00 0.00 174.94 176.64 1uks s LYS 131 N 0.85 3.89 -0.14 2.79 1.02 -0.32 -3.21 119.74 124.62 1uks s LYS 131 Ca -0.04 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.71 1uks s LYS 131 Cb -0.15 -2.26 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1uks s LYS 131 CO -0.00 -0.15 -0.20 0.08 -0.92 0.00 0.00 175.35 174.16 1uks s VAL 132 N -2.48 2.24 -0.07 3.17 1.01 -1.26 -0.80 120.40 122.22 1uks s VAL 132 Ca 0.56 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1uks s VAL 132 Cb -0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1uks s VAL 132 CO 0.30 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 175.24 1uks s ILE 133 N 0.78 3.68 0.06 2.22 1.01 0.82 -0.68 121.20 129.08 1uks s ILE 133 Ca -0.07 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1uks s ILE 133 Cb -0.16 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1uks s ILE 133 CO -0.01 0.59 -0.17 0.27 0.00 0.00 0.00 174.94 175.63 1uks s ILE 134 N -0.81 2.91 0.50 2.92 -4.36 -0.79 -1.85 121.20 119.72 1uks s ILE 134 Ca 0.12 -1.24 -0.21 0.00 -0.26 0.00 0.00 60.65 59.07 1uks s ILE 134 Cb -0.11 -2.27 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 1uks s ILE 134 CO 0.01 0.27 1.15 -1.81 0.24 0.00 0.00 174.94 174.80 1uks s ASP 135 N -1.67 5.93 -0.06 4.36 -0.00 -0.95 -0.67 116.67 123.61 1uks s ASP 135 Ca 0.16 2.25 -0.03 0.00 -0.00 0.00 0.00 52.55 54.93 1uks s ASP 135 Cb -0.11 -2.59 0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1uks s ASP 135 CO 0.07 -1.08 0.13 0.12 -0.00 0.00 0.00 175.17 174.41 1uks s PHE 136 N -1.66 -0.13 -0.61 4.23 2.19 0.07 -4.26 117.98 117.80 1uks s PHE 136 Ca 0.68 0.46 0.05 0.00 0.33 0.00 0.00 56.93 58.45 1uks s PHE 136 Cb -0.26 -0.17 0.19 0.00 -1.31 0.00 0.00 43.02 41.48 1uks s PHE 136 CO 0.31 -0.18 0.53 0.00 1.83 0.00 0.00 175.22 177.70 1uks n ALA 137 N 4.52 3.38 2.00 11.12 0.00 -1.26 -1.49 120.51 138.78 1uks n ALA 137 Ca -0.20 -4.23 0.09 0.00 0.00 0.00 0.00 53.44 49.09 1uks n ALA 137 Cb 0.51 -0.93 0.52 0.00 0.00 0.00 0.00 19.45 19.54 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 1.83 1.00 0.16 0.00 -0.04 -1.26 -3.80 135.00 132.88 1uks n PRO 138 Ca 0.24 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1uks n PRO 138 Cb 0.40 -1.27 0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 -5.06 3.54 -1.24 -1.93 -3.44 115.58 107.45 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 -0.08 0.00 0.73 0.00 0.00 38.32 38.97 1uks h ASN 139 CO 0.00 0.44 0.12 -1.38 -1.29 0.00 0.00 177.43 175.32 1uks s HIS 140 N -3.11 -0.11 0.00 0.67 -3.43 -1.25 -1.30 115.29 106.76 1uks s HIS 140 Ca 0.03 -0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 1uks s HIS 140 Cb 0.08 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 1uks s HIS 140 CO 0.72 -1.08 0.00 0.25 -2.00 0.00 0.00 174.74 172.64 1uks n THR 141 N -0.41 0.00 -4.11 -5.38 -2.24 -0.63 -4.68 114.28 96.84 1uks n THR 141 Ca -0.06 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1uks n THR 141 Cb 0.61 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.00 0.63 0.17 3.42 1.04 -1.25 -1.99 113.70 114.72 1uks s SER 142 Ca 0.00 -1.37 -0.34 0.00 0.48 0.00 0.00 55.95 54.72 1uks s SER 142 Cb 0.00 0.59 -0.14 0.00 0.10 0.00 0.00 66.02 66.56 1uks s SER 142 CO 0.00 -1.16 1.45 -2.65 0.98 0.00 0.00 173.24 171.86 1uks n PRO 143 N -0.48 1.84 -3.70 4.02 -0.02 -1.26 -1.33 135.00 134.07 1uks n PRO 143 Ca 0.01 0.66 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1uks n PRO 143 Cb 0.62 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.46 -0.89 -0.10 3.55 0.00 0.02 -3.62 121.76 121.18 1uks s ALA 144 Ca 0.76 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 1uks s ALA 144 Cb -0.74 0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1uks s ALA 144 CO 0.44 -0.41 -0.02 0.45 0.00 0.00 0.00 175.76 176.22 1uks s SER 145 N -1.91 1.91 0.43 0.00 0.15 -1.26 -4.76 113.70 108.26 1uks s SER 145 Ca -0.06 -0.22 0.21 0.00 0.70 0.00 0.00 55.95 56.58 1uks s SER 145 Cb -0.01 -0.59 0.97 0.00 -1.71 0.00 0.00 66.02 64.68 1uks s SER 145 CO -0.01 -0.18 1.87 0.77 1.20 0.00 0.00 173.24 176.89 1uks h SER 146 N 8.27 0.00 0.16 5.45 4.64 -1.97 -3.05 113.55 127.06 1uks h SER 146 Ca -0.23 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.93 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 0.31 0.27 -0.61 0.44 -0.87 0.00 0.00 176.83 176.37 1uks h ASP 147 N 0.00 0.51 -3.89 4.97 3.32 -1.95 -3.39 116.42 115.98 1uks h ASP 147 Ca -0.00 -0.29 -0.64 0.00 0.02 0.00 0.00 57.03 56.12 1uks h ASP 147 Cb 0.66 -0.15 -0.41 0.00 0.22 0.00 0.00 39.33 39.65 1uks h ASP 147 CO 0.03 0.99 -0.56 -0.62 -1.72 0.00 0.00 179.24 177.37 1uks s ASP 148 N -6.93 4.65 0.35 6.45 2.15 -1.15 -4.96 116.67 117.23 1uks s ASP 148 Ca -0.06 -3.32 0.23 0.00 0.43 0.00 0.00 52.55 49.82 1uks s ASP 148 Cb 0.11 -1.67 1.23 0.00 -0.30 0.00 0.00 42.92 42.28 1uks s ASP 148 CO 0.83 -0.19 1.68 1.55 -0.17 0.00 0.00 175.17 178.87 1uks h PRO 149 N 6.15 0.00 -0.00 4.34 0.13 -1.76 -1.42 132.00 139.45 1uks h PRO 149 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1uks h PRO 149 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1uks h PRO 149 CO 0.71 0.00 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.07 1uks n SER 150 N -2.31 0.59 -4.71 1.44 3.41 -1.26 -4.43 113.62 106.35 1uks n SER 150 Ca -0.02 -0.42 -0.42 0.00 -0.26 0.00 0.00 58.87 57.75 1uks n SER 150 Cb 0.07 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.74 3.20 0.00 7.33 2.19 -0.53 -4.83 117.98 122.60 1uks s PHE 151 Ca 0.19 1.03 0.00 0.00 0.33 0.00 0.00 56.93 58.48 1uks s PHE 151 Cb 0.19 -3.59 0.00 0.00 -1.31 0.00 0.00 43.02 38.31 1uks s PHE 151 CO 0.58 -2.04 0.00 0.00 1.83 0.00 0.00 175.22 175.59 1uks n ALA 152 N 4.37 0.00 -1.39 11.12 0.00 -1.26 -1.90 120.51 131.44 1uks n ALA 152 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1uks n ALA 152 Cb 0.44 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.09 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 1.98 -4.09 0.00 1.02 -1.26 -4.94 120.64 127.35 1uks n GLU 153 Ca 0.00 -3.15 -0.34 0.00 -0.02 0.00 0.00 57.16 53.65 1uks n GLU 153 Cb 0.00 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 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 -2.92 -1.77 1.62 4.05 -0.80 -1.52 115.26 112.81 1uks n ASN 154 Ca 0.39 -0.90 -0.18 0.00 0.45 0.00 0.00 54.58 54.34 1uks n ASN 154 Cb 1.18 -2.43 -0.06 0.00 1.23 0.00 0.00 39.78 39.71 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 -1.23 1.10 3.70 8.20 0.00 -1.24 -0.87 105.19 114.86 1uks n GLY 155 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1uks n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uks n ARG 156 N -2.41 1.99 -4.50 1.61 1.74 -0.58 -4.57 116.66 109.95 1uks n ARG 156 Ca -0.19 0.70 -0.34 0.00 -0.77 0.00 0.00 57.85 57.26 1uks n ARG 156 Cb 0.61 -2.35 -0.13 0.00 -1.02 0.00 0.00 32.46 29.57 1uks n ARG 156 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1uks s LEU 157 N -1.37 2.96 0.23 0.55 0.20 0.27 -4.58 118.68 116.93 1uks s LEU 157 Ca 0.59 -0.25 0.10 0.00 0.69 0.00 0.00 54.13 55.25 1uks s LEU 157 Cb -0.53 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1uks s LEU 157 CO 0.60 0.14 -0.08 -0.31 -0.29 0.00 0.00 176.35 176.41 1uks s TYR 158 N 0.51 2.60 -0.34 5.38 2.02 -0.28 -0.00 117.35 127.25 1uks s TYR 158 Ca -0.06 -0.24 0.04 0.00 -0.37 0.00 0.00 57.07 56.44 1uks s TYR 158 Cb -0.15 -1.21 0.10 0.00 -0.40 0.00 0.00 41.96 40.30 1uks s TYR 158 CO 0.03 0.58 0.05 0.34 -1.57 0.00 0.00 175.55 174.98 1uks s ASP 159 N -3.23 4.76 -1.62 2.29 2.15 0.13 -4.38 116.67 116.77 1uks s ASP 159 Ca 0.28 -2.14 -0.12 0.00 0.43 0.00 0.00 52.55 51.00 1uks s ASP 159 Cb -0.07 -1.62 0.10 0.00 -0.30 0.00 0.00 42.92 41.03 1uks s ASP 159 CO 0.17 -0.38 0.56 -3.20 -0.17 0.00 0.00 175.17 172.15 1uks n ASN 160 N 4.26 -1.74 0.00 -0.34 5.15 -1.26 -0.83 115.26 120.50 1uks n ASN 160 Ca 0.04 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1uks n ASN 160 Cb 0.42 -2.56 0.00 0.00 -0.53 0.00 0.00 39.78 37.11 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 -1.69 3.35 3.69 8.20 0.00 -1.26 -5.05 105.19 112.44 1uks n GLY 161 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1uks n GLY 161 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uks s ASN 162 N -0.57 6.88 -0.04 1.61 0.01 -0.01 -4.99 114.94 117.82 1uks s ASN 162 Ca 0.00 1.06 -0.30 0.00 -0.71 0.00 0.00 52.86 52.91 1uks s ASN 162 Cb 0.00 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 1uks s ASN 162 CO 0.00 -0.20 1.33 -0.22 -1.51 0.00 0.00 177.10 176.50 1uks s LEU 163 N 1.32 4.29 -0.17 0.60 1.98 -1.26 0.18 118.68 125.61 1uks s LEU 163 Ca 0.34 1.97 -0.19 0.00 -2.89 0.00 0.00 54.13 53.36 1uks s LEU 163 Cb -0.17 -3.56 -0.22 0.00 0.66 0.00 0.00 46.19 42.91 1uks s LEU 163 CO 0.14 -0.69 0.34 -0.07 -1.89 0.00 0.00 176.35 174.19 1uks h LEU 164 N 8.56 0.11 0.00 -0.68 4.07 -0.76 -3.47 115.31 123.15 1uks h LEU 164 Ca -0.35 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 56.94 1uks h LEU 164 Cb 1.16 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1uks h LEU 164 CO 0.91 1.51 0.00 0.61 -1.08 0.00 0.00 178.44 180.39 1uks n GLY 165 N 1.57 1.20 3.75 0.83 0.00 -1.17 -4.98 105.19 106.39 1uks n GLY 165 Ca -0.29 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 2.79 0.09 -0.02 0.00 -1.26 -0.56 107.32 108.35 1uks s GLY 166 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 44.72 43.59 1uks s GLY 166 CO 0.00 -2.13 1.20 -1.82 0.00 0.00 0.00 173.10 170.36 1uks h TYR 167 N 1.38 0.82 -3.58 1.90 3.20 -1.25 -3.37 116.97 116.07 1uks h TYR 167 Ca -0.43 -0.48 -0.51 0.00 3.14 0.00 0.00 58.73 60.45 1uks h TYR 167 Cb 1.29 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1uks h TYR 167 CO 1.22 1.32 0.38 0.99 -1.64 0.00 0.00 178.16 180.43 1uks s THR 168 N -3.14 4.34 -1.10 1.81 2.01 -1.26 -3.83 115.64 114.48 1uks s THR 168 Ca -0.08 1.99 -0.04 0.00 0.31 0.00 0.00 61.69 63.88 1uks s THR 168 Cb 0.07 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1uks s THR 168 CO 0.90 0.33 0.94 -3.20 -0.69 0.00 0.00 174.62 172.89 1uks n ASN 169 N 2.60 -3.87 -4.24 3.53 2.85 -1.26 -4.88 115.26 109.99 1uks n ASN 169 Ca 0.02 -0.50 -0.43 0.00 -0.11 0.00 0.00 54.58 53.57 1uks n ASN 169 Cb 0.48 -4.43 0.00 0.00 1.24 0.00 0.00 39.78 37.08 1uks n ASN 169 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1uks n ASP 170 N -2.60 4.63 0.11 1.20 4.64 -1.25 -4.66 116.55 118.61 1uks n ASP 170 Ca -0.12 -2.91 -0.03 0.00 -1.38 0.00 0.00 54.79 50.34 1uks n ASP 170 Cb 0.60 -1.68 0.14 0.00 -1.04 0.00 0.00 41.12 39.14 1uks n ASP 170 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1uks h THR 171 N 4.83 1.42 0.00 5.18 1.03 -1.90 -3.03 112.91 120.44 1uks h THR 171 Ca 0.47 -2.06 0.00 0.00 -0.01 0.00 0.00 66.41 64.81 1uks h THR 171 Cb 0.78 2.08 0.00 0.00 -1.07 0.00 0.00 68.15 69.94 1uks h THR 171 CO 1.59 0.60 0.00 0.00 -0.01 0.00 0.00 175.52 177.70 1uks n GLN 172 N -3.84 0.17 -3.60 0.00 6.02 -1.26 -4.93 117.38 109.94 1uks n GLN 172 Ca -0.02 0.22 -0.22 0.00 -0.01 0.00 0.00 57.00 56.97 1uks n GLN 172 Cb 0.62 -1.73 0.07 0.00 1.02 0.00 0.00 30.24 30.22 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 -2.03 -3.97 0.26 1.08 4.13 -1.15 -4.92 115.26 108.67 1uks n ASN 173 Ca 0.05 -0.64 0.17 0.00 1.68 0.00 0.00 54.58 55.84 1uks n ASN 173 Cb 0.34 -4.78 0.72 0.00 -1.54 0.00 0.00 39.78 34.53 1uks n ASN 173 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1uks h LEU 174 N -2.24 0.00 -8.89 3.41 3.38 -1.92 -3.44 115.31 105.62 1uks h LEU 174 Ca -0.58 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 56.96 1uks h LEU 174 Cb 1.36 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.97 1uks h LEU 174 CO 0.55 0.00 -0.71 -0.36 0.09 0.00 0.00 178.44 178.02 1uks s PHE 175 N -3.68 1.64 0.08 1.13 0.40 -1.26 -0.71 117.98 115.59 1uks s PHE 175 Ca 0.01 -0.69 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 1uks s PHE 175 Cb 0.09 -0.84 -0.07 0.00 0.51 0.00 0.00 43.02 42.72 1uks s PHE 175 CO 0.50 0.23 0.67 -1.01 0.70 0.00 0.00 175.22 176.30 1uks s HIS 176 N -3.12 3.80 -0.42 0.36 3.76 -0.07 -4.64 115.29 114.96 1uks s HIS 176 Ca 0.23 1.39 0.11 0.00 -0.15 0.00 0.00 55.06 56.64 1uks s HIS 176 Cb 0.02 -2.65 0.39 0.00 1.11 0.00 0.00 32.58 31.44 1uks s HIS 176 CO 0.07 0.47 0.90 0.72 -0.85 0.00 0.00 174.74 176.05 1uks n HIS 177 N 2.07 1.93 0.19 1.40 8.25 -1.26 -4.68 115.22 123.12 1uks n HIS 177 Ca -0.07 -3.50 0.08 0.00 -0.26 0.00 0.00 57.72 53.97 1uks n HIS 177 Cb 0.50 -0.37 0.14 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.06 0.33 -0.04 4.41 4.01 -1.26 -5.10 117.16 119.44 1uks n TYR 178 Ca 0.25 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1uks n TYR 178 Cb 0.63 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.90 -3.49 3.88 2.72 0.00 -1.26 -4.94 105.19 103.00 1uks n GLY 179 Ca 0.13 -1.88 -0.30 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 -0.81 2.05 0.32 -0.02 0.00 -1.26 -0.99 107.32 106.60 1uks s GLY 180 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 44.72 44.16 1uks s GLY 180 CO 0.00 -0.15 0.96 -1.08 0.00 0.00 0.00 173.10 172.83 1uks s THR 181 N -2.10 4.13 -2.64 0.90 -1.32 0.15 -4.75 115.64 110.02 1uks s THR 181 Ca 0.48 1.79 0.22 0.00 -1.21 0.00 0.00 61.69 62.98 1uks s THR 181 Cb -0.11 -4.00 0.15 0.00 -1.51 0.00 0.00 72.50 67.03 1uks s THR 181 CO 0.27 0.16 1.17 -0.90 -2.21 0.00 0.00 174.62 173.11 1uks n ASP 182 N 0.60 2.71 -2.39 8.08 5.68 -1.26 -4.96 116.55 125.00 1uks n ASP 182 Ca 0.02 -1.86 -0.20 0.00 -0.50 0.00 0.00 54.79 52.25 1uks n ASP 182 Cb 0.50 0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 1uks n ASP 182 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uks n LEU 183 N 1.07 -1.89 0.10 -2.12 4.77 -1.26 -4.89 117.00 112.78 1uks n LEU 183 Ca 0.12 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1uks n LEU 183 Cb 0.53 -2.89 0.06 0.00 -2.33 0.00 0.00 43.42 38.79 1uks n LEU 183 CO 0.15 -0.22 0.36 0.77 -1.33 0.00 0.00 177.39 177.12 1uks h SER 184 N 0.00 0.05 -5.15 -1.43 4.64 -1.94 -3.46 113.55 106.26 1uks h SER 184 Ca -0.48 -0.04 -0.26 0.00 -0.47 0.00 0.00 61.79 60.54 1uks h SER 184 Cb 1.36 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.28 1uks h SER 184 CO 0.57 0.79 -0.63 0.42 -0.87 0.00 0.00 176.83 177.11 1uks s THR 185 N -3.30 0.25 0.12 2.95 -4.23 -1.26 -5.03 115.64 105.14 1uks s THR 185 Ca -0.01 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.39 1uks s THR 185 Cb 0.11 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1uks s THR 185 CO 0.79 -0.20 1.51 0.40 -0.54 0.00 0.00 174.62 176.58 1uks h ILE 186 N 2.65 1.28 -0.72 2.99 2.04 -1.94 -2.21 117.51 121.59 1uks h ILE 186 Ca -0.36 -1.24 0.09 0.00 1.00 0.00 0.00 64.86 64.35 1uks h ILE 186 Cb 1.23 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 1uks h ILE 186 CO 0.58 0.41 0.36 -0.08 0.00 0.00 0.00 178.15 179.42 1uks h GLU 187 N 0.57 0.60 -0.56 2.37 4.81 -1.96 -1.82 114.58 118.59 1uks h GLU 187 Ca 0.09 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1uks h GLU 187 Cb 0.67 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1uks h GLU 187 CO 0.05 0.40 0.23 -0.97 -0.73 0.00 0.00 179.01 177.99 1uks h ASN 188 N 0.62 0.76 0.83 1.04 -0.73 -1.91 -2.39 115.58 113.80 1uks h ASN 188 Ca 0.35 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1uks h ASN 188 Cb 0.37 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1uks h ASN 188 CO -0.27 0.71 0.00 1.23 -0.37 0.00 0.00 177.43 178.74 1uks h GLY 189 N 0.76 0.00 0.00 1.57 0.00 -0.79 -2.25 103.07 102.36 1uks h GLY 189 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 1uks h GLY 189 CO -0.02 0.00 -0.51 -2.22 0.00 0.00 0.00 176.54 173.79 1uks h ILE 190 N 0.00 1.26 0.00 2.60 2.04 -0.87 -3.42 117.51 119.12 1uks h ILE 190 Ca 0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1uks h ILE 190 Cb 0.42 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1uks h ILE 190 CO 0.00 0.43 -0.91 -1.22 0.00 0.00 0.00 178.15 176.44 1uks n TYR 191 N -4.55 0.19 -3.90 1.37 4.01 -0.98 -4.71 117.16 108.59 1uks n TYR 191 Ca -0.18 0.06 -0.24 0.00 -0.16 0.00 0.00 57.90 57.38 1uks n TYR 191 Cb 0.52 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 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 -3.14 3.45 0.51 -0.72 1.02 -0.85 -4.57 119.74 115.45 1uks s LYS 192 Ca 0.06 -0.63 -0.19 0.00 0.02 0.00 0.00 55.97 55.23 1uks s LYS 192 Cb 0.15 -2.91 -0.08 0.00 -0.52 0.00 0.00 37.83 34.48 1uks s LYS 192 CO 0.79 0.45 1.02 -0.80 -0.92 0.00 0.00 175.35 175.90 1uks s ASN 193 N -3.57 6.33 -0.12 2.83 -0.87 -0.16 -4.61 114.94 114.78 1uks s ASN 193 Ca 0.35 1.82 -0.03 0.00 -1.57 0.00 0.00 52.86 53.43 1uks s ASN 193 Cb -0.10 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 1uks s ASN 193 CO 0.29 -0.79 -0.01 -0.22 -2.57 0.00 0.00 177.10 173.80 1uks s LEU 194 N -3.76 3.44 0.00 0.60 2.96 -1.26 -0.67 118.68 119.98 1uks s LEU 194 Ca 0.65 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 1uks s LEU 194 Cb -0.14 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.74 1uks s LEU 194 CO 0.24 0.28 0.00 -1.22 -1.32 0.00 0.00 176.35 174.34 1uks n TYR 195 N 2.78 0.00 -1.63 5.38 4.01 -1.26 -1.90 117.16 124.53 1uks n TYR 195 Ca -0.18 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.62 1uks n TYR 195 Cb 0.53 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.74 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 4.98 1.69 -4.75 7.72 3.85 -1.26 -4.95 116.55 123.83 1uks n ASP 196 Ca 0.00 -3.63 -0.40 0.00 -0.71 0.00 0.00 54.79 50.04 1uks n ASP 196 Cb 0.00 -0.50 -0.05 0.00 -1.35 0.00 0.00 41.12 39.22 1uks n ASP 196 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1uks s LEU 197 N -2.87 4.58 -0.43 -2.12 2.01 -0.80 -0.80 118.68 118.26 1uks s LEU 197 Ca 0.37 2.02 -0.28 0.00 0.01 0.00 0.00 54.13 56.24 1uks s LEU 197 Cb 0.36 -3.61 -0.01 0.00 0.01 0.00 0.00 46.19 42.94 1uks s LEU 197 CO -0.07 0.00 1.73 0.00 1.01 0.00 0.00 176.35 179.02 1uks s ALA 198 N -0.86 2.72 -0.09 4.21 0.00 -0.44 -4.50 121.76 122.79 1uks s ALA 198 Ca 0.44 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 1uks s ALA 198 Cb -0.27 -4.08 -0.02 0.00 0.00 0.00 0.00 23.12 18.74 1uks s ALA 198 CO 0.34 -2.93 0.84 -0.51 0.00 0.00 0.00 175.76 173.50 1uks s ASP 199 N 6.15 7.09 0.37 0.00 -0.00 -1.26 -1.61 116.67 127.41 1uks s ASP 199 Ca 0.72 1.32 -0.27 0.00 -0.00 0.00 0.00 52.55 54.32 1uks s ASP 199 Cb -0.18 -2.48 -0.09 0.00 -0.00 0.00 0.00 42.92 40.17 1uks s ASP 199 CO 0.30 -0.28 1.23 -0.76 -0.00 0.00 0.00 175.17 175.66 1uks s LEU 200 N 1.44 4.31 -0.64 1.23 1.02 -0.42 -0.89 118.68 124.73 1uks s LEU 200 Ca 0.42 2.51 -0.18 0.00 0.02 0.00 0.00 54.13 56.90 1uks s LEU 200 Cb -0.18 -3.83 0.12 0.00 0.02 0.00 0.00 46.19 42.32 1uks s LEU 200 CO 0.18 -0.61 0.73 0.21 0.02 0.00 0.00 176.35 176.88 1uks s ASN 201 N -0.81 6.28 0.00 2.29 2.47 0.11 -4.61 114.94 120.68 1uks s ASN 201 Ca 0.53 -1.66 0.16 0.00 0.42 0.00 0.00 52.86 52.31 1uks s ASN 201 Cb -0.35 -2.29 0.74 0.00 -1.45 0.00 0.00 41.25 37.90 1uks s ASN 201 CO 0.46 -1.03 1.49 1.41 -3.72 0.00 0.00 177.10 175.71 1uks n HIS 202 N 5.98 0.00 1.04 0.43 8.25 -1.26 -2.05 115.22 127.61 1uks n HIS 202 Ca -0.05 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.55 1uks n HIS 202 Cb 0.43 -0.41 0.59 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.41 0.07 -4.64 0.41 5.15 -1.26 -4.42 115.26 109.15 1uks n ASN 203 Ca 0.06 0.34 -0.42 0.00 -0.60 0.00 0.00 54.58 53.95 1uks n ASN 203 Cb 0.16 -0.39 -0.04 0.00 -0.53 0.00 0.00 39.78 38.98 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 -2.95 6.87 0.31 1.20 3.04 -0.87 -4.75 114.94 117.78 1uks s ASN 204 Ca 0.15 1.06 0.06 0.00 0.04 0.00 0.00 52.86 54.18 1uks s ASN 204 Cb 0.19 -2.45 0.74 0.00 -1.54 0.00 0.00 41.25 38.19 1uks s ASN 204 CO 0.54 -0.56 1.80 0.28 -3.04 0.00 0.00 177.10 176.12 1uks h SER 205 N 7.69 0.78 -0.64 -4.21 0.02 -1.89 -1.15 113.55 114.15 1uks h SER 205 Ca -0.22 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1uks h SER 205 Cb 1.09 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 1uks h SER 205 CO 0.90 0.31 0.38 0.28 -1.14 0.00 0.00 176.83 177.55 1uks h SER 206 N 0.77 0.59 -0.15 3.07 0.02 -1.95 -0.98 113.55 114.92 1uks h SER 206 Ca 0.55 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.43 1uks h SER 206 Cb 0.85 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 1uks h SER 206 CO -0.34 0.40 -0.24 0.58 -1.14 0.00 0.00 176.83 176.09 1uks h VAL 207 N 0.72 1.36 0.06 2.27 2.07 -1.53 -1.05 116.25 120.15 1uks h VAL 207 Ca 0.27 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1uks h VAL 207 Cb 0.10 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1uks h VAL 207 CO -0.14 0.44 -0.27 -0.78 0.02 0.00 0.00 177.57 176.84 1uks h ASP 208 N 0.05 -0.78 -0.59 0.57 1.82 -1.15 -1.47 116.42 114.87 1uks h ASP 208 Ca 0.01 0.10 -0.08 0.00 -0.39 0.00 0.00 57.03 56.67 1uks h ASP 208 Cb 0.82 0.31 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1uks h ASP 208 CO 0.06 -0.35 0.04 0.58 -1.61 0.00 0.00 179.24 177.96 1uks h VAL 209 N -0.45 1.26 -0.15 2.25 2.07 -1.18 -2.61 116.25 117.45 1uks h VAL 209 Ca 0.04 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1uks h VAL 209 Cb 0.50 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1uks h VAL 209 CO -0.19 0.40 -0.04 0.22 0.02 0.00 0.00 177.57 177.97 1uks h TYR 210 N 0.92 -0.10 -0.15 1.57 3.20 -1.00 0.27 116.97 121.69 1uks h TYR 210 Ca 0.17 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 1uks h TYR 210 Cb 0.50 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1uks h TYR 210 CO 0.04 -0.07 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.06 1uks h LEU 211 N -0.01 0.32 -0.04 2.82 4.07 -1.19 0.41 115.31 121.68 1uks h LEU 211 Ca 0.08 -0.12 -0.26 0.00 0.08 0.00 0.00 57.88 57.66 1uks h LEU 211 Cb 0.12 -0.09 0.02 0.00 1.08 0.00 0.00 40.66 41.79 1uks h LEU 211 CO -0.16 0.65 -1.02 0.11 -1.08 0.00 0.00 178.44 176.93 1uks h LYS 212 N 0.27 0.64 -0.48 1.13 1.57 -1.26 -1.95 116.57 116.48 1uks h LYS 212 Ca 0.03 -0.69 -0.08 0.00 -1.87 0.00 0.00 60.65 58.04 1uks h LYS 212 Cb 0.75 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1uks h LYS 212 CO 0.06 1.28 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.75 1uks h ASP 213 N 0.36 0.80 -0.31 0.86 3.45 -0.81 -2.17 116.42 118.60 1uks h ASP 213 Ca -0.12 -0.21 -0.05 0.00 0.43 0.00 0.00 57.03 57.08 1uks h ASP 213 Cb 1.67 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 40.22 1uks h ASP 213 CO 0.20 0.88 -0.00 0.00 -1.57 0.00 0.00 179.24 178.75 1uks h ALA 214 N 1.20 0.42 -0.56 3.45 0.00 -0.83 -2.52 119.26 120.42 1uks h ALA 214 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1uks h ALA 214 Cb 0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1uks h ALA 214 CO 0.03 0.17 0.08 0.97 0.00 0.00 0.00 179.25 180.50 1uks h ILE 215 N 0.34 1.24 -0.68 0.00 6.09 -1.20 -2.36 117.51 120.95 1uks h ILE 215 Ca 0.09 -0.95 -0.04 0.00 -1.37 0.00 0.00 64.86 62.59 1uks h ILE 215 Cb 0.44 0.73 -0.03 0.00 0.47 0.00 0.00 36.82 38.43 1uks h ILE 215 CO 0.02 0.35 0.26 0.11 -3.07 0.00 0.00 178.15 175.82 1uks h LYS 216 N 0.85 1.01 -0.63 2.19 1.57 -1.19 -1.51 116.57 118.86 1uks h LYS 216 Ca 0.17 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1uks h LYS 216 Cb 0.39 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1uks h LYS 216 CO 0.01 0.83 0.36 1.98 -0.57 0.00 0.00 179.45 182.06 1uks h MET 217 N 0.99 0.67 -0.17 3.15 4.05 -0.99 0.13 114.93 122.75 1uks h MET 217 Ca 0.23 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.51 1uks h MET 217 Cb 0.20 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1uks h MET 217 CO -0.02 0.44 -0.33 -1.49 0.23 0.00 0.00 176.91 175.74 1uks h TRP 218 N 0.69 0.40 -0.67 1.39 4.06 -1.17 -1.84 115.95 118.80 1uks h TRP 218 Ca 0.27 -0.10 -0.08 0.00 2.06 0.00 0.00 58.89 61.05 1uks h TRP 218 Cb 0.12 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 1uks h TRP 218 CO -0.07 0.65 0.12 -0.07 -3.56 0.00 0.00 178.44 175.50 1uks h LEU 219 N 0.31 1.07 -1.86 -4.49 3.38 -0.28 -1.85 115.31 111.58 1uks h LEU 219 Ca 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1uks h LEU 219 Cb 0.73 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uks h LEU 219 CO 0.06 1.05 -0.14 0.44 0.09 0.00 0.00 178.44 179.94 1uks h ASP 220 N 1.04 0.00 0.00 -0.43 3.32 -0.46 -0.77 116.42 119.12 1uks h ASP 220 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1uks h ASP 220 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1uks h ASP 220 CO 0.01 0.14 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 1uks n LEU 221 N -3.94 0.00 0.00 1.55 4.77 -0.70 -4.90 117.00 113.78 1uks n LEU 221 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1uks n LEU 221 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1uks n LEU 221 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1uks n GLY 222 N 0.72 0.75 3.78 -0.72 0.00 -0.29 -4.94 105.19 104.49 1uks n GLY 222 Ca 0.16 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 3.36 -0.71 1.61 -7.23 -1.19 -4.88 120.40 109.36 1uks s VAL 223 Ca 0.00 0.83 0.18 0.00 -1.81 0.00 0.00 61.98 61.17 1uks s VAL 223 Cb 0.00 -3.33 -0.20 0.00 0.56 0.00 0.00 36.38 33.41 1uks s VAL 223 CO 0.00 -0.20 0.70 0.47 -0.31 0.00 0.00 175.10 175.75 1uks n ASP 224 N -1.30 0.83 -3.52 4.85 9.92 0.14 -4.87 116.55 122.61 1uks n ASP 224 Ca 0.11 -0.78 -0.11 0.00 -0.53 0.00 0.00 54.79 53.48 1uks n ASP 224 Cb 0.51 1.12 -0.02 0.00 -0.64 0.00 0.00 41.12 42.10 1uks n ASP 224 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1uks s GLY 225 N -2.87 -0.50 -0.05 0.44 0.00 -1.05 -3.68 107.32 99.61 1uks s GLY 225 Ca 0.05 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 1uks s GLY 225 CO 0.73 0.12 -0.00 -0.42 0.00 0.00 0.00 173.10 173.53 1uks s ILE 226 N -3.72 0.32 -0.32 0.90 1.01 -0.49 -1.89 121.20 117.01 1uks s ILE 226 Ca 0.03 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 1uks s ILE 226 Cb -0.02 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 1uks s ILE 226 CO -0.08 0.22 0.20 -0.60 0.00 0.00 0.00 174.94 174.67 1uks s ARG 227 N 1.56 3.48 -0.15 2.79 3.00 0.15 -1.50 118.95 128.28 1uks s ARG 227 Ca -0.02 -0.64 -0.06 0.00 -1.00 0.00 0.00 55.73 54.01 1uks s ARG 227 Cb -0.13 -3.68 -0.04 0.00 0.00 0.00 0.00 34.95 31.10 1uks s ARG 227 CO -0.03 -0.40 0.08 0.54 0.00 0.00 0.00 175.30 175.48 1uks s VAL 228 N 1.68 4.93 0.40 7.11 0.11 0.02 -0.75 120.40 133.89 1uks s VAL 228 Ca 0.06 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.87 1uks s VAL 228 Cb -0.17 -3.18 -0.09 0.00 -1.53 0.00 0.00 36.38 31.41 1uks s VAL 228 CO 0.09 0.53 1.03 -0.62 -3.33 0.00 0.00 175.10 172.80 1uks s ASP 229 N -0.27 6.80 -1.42 3.54 2.15 -0.56 -2.09 116.67 124.83 1uks s ASP 229 Ca 0.09 2.00 -0.03 0.00 0.43 0.00 0.00 52.55 55.03 1uks s ASP 229 Cb -0.12 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1uks s ASP 229 CO 0.01 -0.46 0.61 0.00 -0.17 0.00 0.00 175.17 175.17 1uks n ALA 230 N -0.08 -1.85 0.25 3.66 0.00 -1.25 -4.71 120.51 116.52 1uks n ALA 230 Ca 0.05 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1uks n ALA 230 Cb 0.50 -2.19 0.64 0.00 0.00 0.00 0.00 19.45 18.40 1uks n ALA 230 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uks h VAL 231 N -1.85 0.92 0.00 0.00 2.07 -1.78 0.27 116.25 115.87 1uks h VAL 231 Ca -0.61 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1uks h VAL 231 Cb 1.37 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1uks h VAL 231 CO 0.62 0.09 0.00 1.17 0.02 0.00 0.00 177.57 179.48 1uks n LYS 232 N -4.21 0.10 -0.21 1.57 4.81 -1.26 -3.64 118.16 115.32 1uks n LYS 232 Ca -0.03 0.09 0.08 0.00 -0.87 0.00 0.00 58.31 57.58 1uks n LYS 232 Cb 0.18 -1.50 0.17 0.00 0.02 0.00 0.00 35.03 33.90 1uks n LYS 232 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1uks n HIS 233 N -1.44 0.38 -4.13 5.64 8.25 0.08 -4.56 115.22 119.45 1uks n HIS 233 Ca 0.07 -0.87 -0.15 0.00 -0.26 0.00 0.00 57.72 56.51 1uks n HIS 233 Cb 0.25 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.54 0.72 0.18 -0.41 -1.94 -1.23 -4.41 119.30 109.68 1uks s MET 234 Ca 0.32 -0.94 -0.32 0.00 -1.71 0.00 0.00 55.69 53.04 1uks s MET 234 Cb 0.26 -0.55 -0.11 0.00 2.01 0.00 0.00 34.83 36.44 1uks s MET 234 CO 0.06 0.11 1.72 -2.14 -0.01 0.00 0.00 175.02 174.76 1uks s PRO 235 N -1.99 4.14 0.24 2.03 0.02 -1.26 -4.90 135.00 133.28 1uks s PRO 235 Ca -0.03 2.56 -0.05 0.00 0.02 0.00 0.00 61.00 63.51 1uks s PRO 235 Cb -0.08 -3.21 0.42 0.00 0.02 0.00 0.00 34.50 31.65 1uks s PRO 235 CO 0.01 -0.75 1.73 0.35 -0.33 0.00 0.00 177.00 178.01 1uks h PHE 236 N 7.23 0.47 -0.81 6.54 3.04 -1.90 -1.25 116.94 130.27 1uks h PHE 236 Ca -0.44 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.55 1uks h PHE 236 Cb 1.20 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.58 1uks h PHE 236 CO 0.68 0.06 0.49 0.78 -2.02 0.00 0.00 178.31 178.30 1uks h GLY 237 N 0.43 1.16 1.15 2.40 0.00 -1.90 0.89 103.07 107.20 1uks h GLY 237 Ca 0.39 -0.48 -0.20 0.00 0.00 0.00 0.00 47.33 47.04 1uks h GLY 237 CO -0.39 0.46 -0.65 -0.25 0.00 0.00 0.00 176.54 175.71 1uks h TRP 238 N 1.11 1.08 -0.55 5.60 7.01 -1.56 -2.65 115.95 125.99 1uks h TRP 238 Ca 0.29 -0.43 -0.06 0.00 2.11 0.00 0.00 58.89 60.79 1uks h TRP 238 Cb -0.05 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.80 1uks h TRP 238 CO 0.00 1.26 0.08 1.96 -2.79 0.00 0.00 178.44 178.96 1uks h GLN 239 N 0.59 0.87 -0.87 2.65 4.20 -0.63 -1.12 115.11 120.81 1uks h GLN 239 Ca -0.02 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1uks h GLN 239 Cb 1.28 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 1uks h GLN 239 CO 0.14 0.82 0.53 -0.22 -0.67 0.00 0.00 178.83 179.43 1uks h LYS 240 N 0.83 1.18 -0.01 1.46 3.64 -0.84 0.21 116.57 123.04 1uks h LYS 240 Ca 0.17 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1uks h LYS 240 Cb 0.38 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1uks h LYS 240 CO 0.01 0.82 -0.53 0.66 -2.27 0.00 0.00 179.45 178.14 1uks h SER 241 N 1.20 0.04 -0.28 4.20 4.64 -1.06 -0.39 113.55 121.89 1uks h SER 241 Ca 0.31 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1uks h SER 241 Cb -0.06 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1uks h SER 241 CO -0.06 0.56 -0.02 0.15 -0.87 0.00 0.00 176.83 176.60 1uks h PHE 242 N 0.03 0.56 -0.68 4.77 3.57 -0.86 -1.51 116.94 122.81 1uks h PHE 242 Ca -0.00 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1uks h PHE 242 Cb 0.95 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1uks h PHE 242 CO 0.00 0.67 0.27 0.52 -2.23 0.00 0.00 178.31 177.54 1uks h MET 243 N 0.28 1.02 -0.68 1.11 2.86 -0.67 -1.99 114.93 116.87 1uks h MET 243 Ca 0.08 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1uks h MET 243 Cb 0.46 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1uks h MET 243 CO 0.02 0.86 0.27 0.00 1.06 0.00 0.00 176.91 179.12 1uks h ALA 244 N 1.12 1.20 -0.57 6.32 0.00 -1.00 0.01 119.26 126.33 1uks h ALA 244 Ca 0.23 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1uks h ALA 244 Cb 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1uks h ALA 244 CO -0.02 0.58 0.33 1.15 0.00 0.00 0.00 179.25 181.30 1uks h THR 245 N 0.98 1.03 0.13 0.00 2.02 -0.77 -0.10 112.91 116.19 1uks h THR 245 Ca 0.23 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1uks h THR 245 Cb 0.19 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1uks h THR 245 CO -0.02 0.12 -0.06 0.40 0.37 0.00 0.00 175.52 176.33 1uks h ILE 246 N 0.65 1.02 0.00 3.11 2.04 -0.88 -3.04 117.51 120.40 1uks h ILE 246 Ca 0.24 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1uks h ILE 246 Cb 0.07 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1uks h ILE 246 CO -0.12 0.15 -0.27 0.78 0.00 0.00 0.00 178.15 178.68 1uks h ASN 247 N -0.47 0.00 0.11 1.72 2.35 -0.85 -0.59 115.58 117.86 1uks h ASN 247 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1uks h ASN 247 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1uks h ASN 247 CO 0.03 0.27 -0.06 0.59 -1.65 0.00 0.00 177.43 176.61 1uks n ASN 248 N -4.17 0.87 0.00 5.81 3.02 -0.06 -4.13 115.26 116.59 1uks n ASN 248 Ca -0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1uks n ASN 248 Cb 0.32 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.46 0.00 -3.44 3.10 4.19 -0.46 -5.00 117.16 115.09 1uks n TYR 249 Ca 0.18 0.00 -0.27 0.00 3.31 0.00 0.00 57.90 61.12 1uks n TYR 249 Cb 0.28 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.00 1uks n TYR 249 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1uks s LYS 250 N -0.67 0.57 0.23 2.98 1.02 -0.35 -5.10 119.74 118.41 1uks s LYS 250 Ca 0.00 -1.27 -0.31 0.00 0.02 0.00 0.00 55.97 54.41 1uks s LYS 250 Cb 0.00 -1.21 -0.11 0.00 -0.52 0.00 0.00 37.83 35.99 1uks s LYS 250 CO 0.00 -1.21 1.59 -1.25 -0.92 0.00 0.00 175.35 173.55 1uks s PRO 251 N 1.11 4.18 -0.02 -1.68 0.04 -1.22 -4.70 135.00 132.70 1uks s PRO 251 Ca 0.18 2.47 -0.06 0.00 0.04 0.00 0.00 61.00 63.64 1uks s PRO 251 Cb -0.21 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1uks s PRO 251 CO 0.00 -0.61 0.13 0.08 0.04 0.00 0.00 177.00 176.63 1uks s VAL 252 N 0.61 0.05 0.01 -0.36 1.01 -1.26 -4.52 120.40 115.94 1uks s VAL 252 Ca 0.67 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 1uks s VAL 252 Cb -0.46 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1uks s VAL 252 CO 0.38 -0.22 1.97 0.33 0.00 0.00 0.00 175.10 177.56 1uks n PHE 253 N 2.16 2.48 -4.27 5.22 -0.00 0.14 -4.86 117.46 118.34 1uks n PHE 253 Ca -0.18 -0.32 -0.18 0.00 -0.00 0.00 0.00 57.45 56.77 1uks n PHE 253 Cb 0.57 -2.78 -0.13 0.00 -0.00 0.00 0.00 39.48 37.13 1uks n PHE 253 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 1uks s THR 254 N 4.46 0.84 0.03 -2.13 -1.32 -1.26 -1.40 115.64 114.86 1uks s THR 254 Ca 0.90 -0.83 -0.04 0.00 -1.21 0.00 0.00 61.69 60.51 1uks s THR 254 Cb -0.48 -0.78 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1uks s THR 254 CO 0.44 -0.04 0.05 0.72 -2.21 0.00 0.00 174.62 173.58 1uks s PHE 255 N -0.78 0.23 0.39 9.09 -0.12 -0.56 -2.01 117.98 124.22 1uks s PHE 255 Ca -0.01 -0.52 0.08 0.00 -0.05 0.00 0.00 56.93 56.43 1uks s PHE 255 Cb -0.07 -0.17 -0.07 0.00 -0.63 0.00 0.00 43.02 42.08 1uks s PHE 255 CO 0.01 -0.31 0.03 0.20 -0.05 0.00 0.00 175.22 175.10 1uks s GLY 256 N -1.92 2.38 -0.30 1.99 0.00 -0.43 -0.80 107.32 108.24 1uks s GLY 256 Ca -0.08 -2.20 -0.08 0.00 0.00 0.00 0.00 44.72 42.35 1uks s GLY 256 CO -0.03 -2.03 0.12 1.85 0.00 0.00 0.00 173.10 173.00 1uks s GLU 257 N -3.74 3.32 -0.21 2.90 2.12 -0.89 -1.00 118.70 121.20 1uks s GLU 257 Ca 0.36 -0.72 -0.00 0.00 0.36 0.00 0.00 54.97 54.97 1uks s GLU 257 Cb 0.07 -3.46 0.06 0.00 0.26 0.00 0.00 34.13 31.05 1uks s GLU 257 CO 0.19 -0.38 -0.04 -0.46 -0.54 0.00 0.00 175.26 174.03 1uks s TRP 258 N 1.58 1.98 0.38 5.30 -0.11 -1.26 -3.23 118.94 123.57 1uks s TRP 258 Ca 0.04 -1.44 -0.25 0.00 1.22 0.00 0.00 56.10 55.67 1uks s TRP 258 Cb -0.17 -1.41 -0.09 0.00 -1.50 0.00 0.00 33.47 30.30 1uks s TRP 258 CO 0.05 -0.71 1.11 -1.17 -4.62 0.00 0.00 176.95 171.61 1uks s LEU 259 N 1.54 4.22 -0.00 5.86 0.20 -1.26 -4.81 118.68 124.42 1uks s LEU 259 Ca -0.03 2.22 0.02 0.00 0.69 0.00 0.00 54.13 57.03 1uks s LEU 259 Cb -0.18 -4.03 -0.01 0.00 -0.43 0.00 0.00 46.19 41.55 1uks s LEU 259 CO -0.07 -0.54 -0.08 -0.22 -0.29 0.00 0.00 176.35 175.16 1uks s LEU 260 N -2.40 2.02 0.90 -0.68 2.96 -1.26 -5.12 118.68 115.10 1uks s LEU 260 Ca 0.56 -0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 54.18 1uks s LEU 260 Cb -0.28 -0.38 0.17 0.00 0.50 0.00 0.00 46.19 46.21 1uks s LEU 260 CO 0.35 0.08 1.25 -0.83 -1.32 0.00 0.00 176.35 175.88 1uks s GLY 261 N -0.24 1.76 0.11 7.98 0.00 -1.26 -4.92 107.32 110.75 1uks s GLY 261 Ca 0.02 -1.23 -0.33 0.00 0.00 0.00 0.00 44.72 43.19 1uks s GLY 261 CO -0.00 -0.53 1.58 -2.08 0.00 0.00 0.00 173.10 172.07 1uks h VAL 262 N -1.39 0.10 -1.16 1.40 2.07 -1.97 -2.77 116.25 112.54 1uks h VAL 262 Ca -0.43 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.48 1uks h VAL 262 Cb 1.25 0.10 -0.39 0.00 -1.52 0.00 0.00 31.29 30.73 1uks h VAL 262 CO 0.41 0.00 -0.31 0.59 0.02 0.00 0.00 177.57 178.28 1uks n ASN 263 N -5.48 5.60 -4.71 0.57 3.02 -1.26 -4.67 115.26 108.33 1uks n ASN 263 Ca -0.08 -3.76 -0.36 0.00 -0.03 0.00 0.00 54.58 50.36 1uks n ASN 263 Cb 0.40 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 1uks n ASN 263 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1uks s GLU 264 N -3.67 4.18 -0.06 3.52 2.12 -1.05 -5.05 118.70 118.69 1uks s GLU 264 Ca 0.52 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.73 1uks s GLU 264 Cb 0.43 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 31.37 1uks s GLU 264 CO -0.09 0.22 -0.13 0.42 -0.54 0.00 0.00 175.26 175.14 1uks s ILE 265 N 0.58 1.17 -0.08 -3.70 1.01 -1.26 -4.76 121.20 114.17 1uks s ILE 265 Ca 0.10 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1uks s ILE 265 Cb -0.12 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1uks s ILE 265 CO 0.01 0.36 -0.17 -0.55 0.00 0.00 0.00 174.94 174.59 1uks s SER 266 N 0.60 2.26 0.21 3.58 0.15 -1.26 -5.03 113.70 114.21 1uks s SER 266 Ca -0.14 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 1uks s SER 266 Cb -0.15 -1.02 0.17 0.00 -1.71 0.00 0.00 66.02 63.31 1uks s SER 266 CO 0.04 0.08 1.55 -0.65 1.20 0.00 0.00 173.24 175.46 1uks h PRO 267 N 6.84 0.52 -0.40 5.44 0.11 -2.00 -2.99 132.00 139.52 1uks h PRO 267 Ca -0.27 -0.30 -0.12 0.00 0.11 0.00 0.00 66.00 65.42 1uks h PRO 267 Cb 1.21 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1uks h PRO 267 CO 0.47 0.90 -0.22 0.93 -0.21 0.00 0.00 178.00 179.87 1uks h GLU 268 N 0.41 0.81 -0.13 1.05 3.07 -1.98 0.22 114.58 118.03 1uks h GLU 268 Ca 0.02 -0.33 0.04 0.00 -0.50 0.00 0.00 59.36 58.59 1uks h GLU 268 Cb 1.02 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.85 1uks h GLU 268 CO 0.09 0.95 -0.15 -0.92 -1.40 0.00 0.00 179.01 177.59 1uks h TYR 269 N 0.70 -0.37 -0.61 4.33 5.03 -1.97 -0.26 116.97 123.82 1uks h TYR 269 Ca 0.10 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.34 1uks h TYR 269 Cb 0.74 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.19 1uks h TYR 269 CO 0.04 -0.22 0.04 0.45 -1.32 0.00 0.00 178.16 177.16 1uks h HIS 270 N -0.18 1.13 -0.94 -3.82 3.86 -1.34 -2.27 115.15 111.59 1uks h HIS 270 Ca 0.09 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1uks h HIS 270 Cb 0.32 -0.30 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 1uks h HIS 270 CO -0.26 0.99 0.62 0.37 0.86 0.00 0.00 177.93 180.50 1uks h GLN 271 N 0.95 1.19 -0.18 2.45 4.15 -0.68 -1.36 115.11 121.64 1uks h GLN 271 Ca 0.18 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1uks h GLN 271 Cb 0.50 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1uks h GLN 271 CO 0.02 0.79 0.04 0.35 -1.93 0.00 0.00 178.83 178.11 1uks h PHE 272 N 1.23 0.31 -0.60 3.99 3.57 -0.60 -0.07 116.94 124.77 1uks h PHE 272 Ca 0.36 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1uks h PHE 272 Cb -0.06 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1uks h PHE 272 CO -0.01 0.42 0.32 0.00 -2.23 0.00 0.00 178.31 176.82 1uks h ALA 273 N 0.85 1.43 0.00 2.41 0.00 -0.98 -1.12 119.26 121.86 1uks h ALA 273 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1uks h ALA 273 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1uks h ALA 273 CO 0.00 0.46 -0.50 -0.91 0.00 0.00 0.00 179.25 178.30 1uks h ASN 274 N 0.84 0.00 0.00 0.00 2.35 -1.03 -3.40 115.58 114.34 1uks h ASN 274 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1uks h ASN 274 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1uks h ASN 274 CO -0.03 0.46 0.00 -0.62 -1.65 0.00 0.00 177.43 175.59 1uks n GLU 275 N -3.20 5.33 0.08 0.81 1.02 -0.06 -4.82 120.64 119.81 1uks n GLU 275 Ca 0.02 -0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 1uks n GLU 275 Cb 0.72 -0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 31.65 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 0.19 0.00 1.62 4.64 -1.39 -3.47 113.55 115.13 1uks h SER 276 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1uks h SER 276 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1uks h SER 276 CO 0.00 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 1uks n GLY 277 N 1.14 1.11 3.38 -0.77 0.00 -1.26 -4.36 105.19 104.43 1uks n GLY 277 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.33 1.43 0.00 1.61 0.23 -1.26 -4.79 119.30 116.18 1uks s MET 278 Ca 0.00 -1.66 0.00 0.00 -1.03 0.00 0.00 55.69 53.00 1uks s MET 278 Cb 0.00 -1.21 0.00 0.00 -1.53 0.00 0.00 34.83 32.09 1uks s MET 278 CO 0.00 0.17 0.00 -1.13 -2.03 0.00 0.00 175.02 172.03 1uks n SER 279 N -0.46 0.00 -4.08 -1.18 3.41 -0.85 -4.51 113.62 105.95 1uks n SER 279 Ca -0.07 -0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 57.89 1uks n SER 279 Cb 0.61 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 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 2.39 0.27 1.04 1.43 -1.26 -1.32 118.68 121.23 1uks s LEU 280 Ca 0.00 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.01 1uks s LEU 280 Cb 0.00 0.03 -0.10 0.00 0.03 0.00 0.00 46.19 46.14 1uks s LEU 280 CO 0.00 -0.41 1.49 -0.76 0.23 0.00 0.00 176.35 176.90 1uks s LEU 281 N -2.33 4.37 -1.17 1.79 1.43 -0.17 -1.75 118.68 120.86 1uks s LEU 281 Ca -0.01 2.77 -0.12 0.00 -1.03 0.00 0.00 54.13 55.74 1uks s LEU 281 Cb -0.01 -3.63 0.21 0.00 0.03 0.00 0.00 46.19 42.79 1uks s LEU 281 CO -0.04 -0.77 1.31 -0.62 0.23 0.00 0.00 176.35 176.46 1uks s ASP 282 N 0.38 7.15 0.31 2.29 3.68 0.10 -4.76 116.67 125.82 1uks s ASP 282 Ca 0.60 -3.19 0.04 0.00 2.13 0.00 0.00 52.55 52.14 1uks s ASP 282 Cb -0.44 -2.33 0.52 0.00 -1.45 0.00 0.00 42.92 39.22 1uks s ASP 282 CO 0.45 -0.59 1.78 -0.26 0.13 0.00 0.00 175.17 176.69 1uks h PHE 283 N 7.02 0.46 -0.95 -5.34 0.04 -1.87 -1.78 116.94 114.53 1uks h PHE 283 Ca 0.26 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 61.00 1uks h PHE 283 Cb 0.88 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.85 1uks h PHE 283 CO 0.98 0.60 0.61 -0.09 -0.60 0.00 0.00 178.31 179.81 1uks h ARG 284 N 0.39 1.11 0.02 1.51 2.43 -1.90 0.44 114.38 118.38 1uks h ARG 284 Ca 0.07 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uks h ARG 284 Cb 0.56 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1uks h ARG 284 CO 0.04 0.73 -0.01 0.35 -1.51 0.00 0.00 179.97 179.57 1uks h PHE 285 N 1.14 -0.03 -0.65 2.20 3.57 -1.87 -2.93 116.94 118.38 1uks h PHE 285 Ca 0.39 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1uks h PHE 285 Cb 0.09 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1uks h PHE 285 CO -0.01 0.38 0.38 0.00 -2.23 0.00 0.00 178.31 176.83 1uks h ALA 286 N 0.51 0.83 -0.21 2.41 0.00 -0.63 0.77 119.26 122.94 1uks h ALA 286 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1uks h ALA 286 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1uks h ALA 286 CO 0.01 0.32 0.07 1.96 0.00 0.00 0.00 179.25 181.60 1uks h GLN 287 N 0.88 0.33 -0.51 0.00 1.08 -1.01 -0.28 115.11 115.60 1uks h GLN 287 Ca 0.23 -0.07 -0.12 0.00 -1.45 0.00 0.00 58.65 57.24 1uks h GLN 287 Cb -0.00 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1uks h GLN 287 CO -0.04 0.42 -0.17 -0.22 -0.95 0.00 0.00 178.83 177.87 1uks h LYS 288 N 0.17 1.01 -0.94 1.46 1.63 -1.31 -1.41 116.57 117.17 1uks h LYS 288 Ca 0.07 -0.40 0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1uks h LYS 288 Cb 0.23 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.77 1uks h LYS 288 CO -0.00 1.08 0.63 0.00 -3.45 0.00 0.00 179.45 177.71 1uks h ALA 289 N 0.92 1.20 -0.46 5.00 0.00 -0.51 -1.84 119.26 123.57 1uks h ALA 289 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1uks h ALA 289 Cb 0.74 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1uks h ALA 289 CO 0.06 0.59 -0.19 0.00 0.00 0.00 0.00 179.25 179.71 1uks h ARG 290 N 1.28 0.90 -0.83 0.00 3.08 -0.82 0.07 114.38 118.06 1uks h ARG 290 Ca 0.35 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1uks h ARG 290 Cb -0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 1uks h ARG 290 CO -0.08 1.01 0.54 1.96 -1.07 0.00 0.00 179.97 182.34 1uks h GLN 291 N 0.79 1.07 0.08 0.04 4.20 -0.86 0.61 115.11 121.04 1uks h GLN 291 Ca 0.11 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1uks h GLN 291 Cb 0.73 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 28.28 1uks h GLN 291 CO 0.06 0.71 -0.64 0.28 -0.67 0.00 0.00 178.83 178.56 1uks h VAL 292 N 1.10 1.52 0.00 -0.54 2.07 -1.20 0.12 116.25 119.32 1uks h VAL 292 Ca 0.31 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1uks h VAL 292 Cb -0.09 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1uks h VAL 292 CO -0.08 0.66 -1.22 0.49 0.02 0.00 0.00 177.57 177.44 1uks n PHE 293 N -4.28 0.37 -0.01 1.57 3.01 -0.00 -4.28 117.46 113.84 1uks n PHE 293 Ca -0.15 0.11 -0.05 0.00 1.01 0.00 0.00 57.45 58.37 1uks n PHE 293 Cb 0.71 -0.56 -0.02 0.00 -0.01 0.00 0.00 39.48 39.60 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 -2.18 0.18 0.05 -1.08 0.63 0.02 -4.80 116.66 109.48 1uks n ARG 294 Ca 0.00 0.07 0.11 0.00 -0.92 0.00 0.00 57.85 57.12 1uks n ARG 294 Cb 0.49 -0.82 -0.01 0.00 0.45 0.00 0.00 32.46 32.57 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 -3.71 0.60 -3.67 6.15 10.43 -0.14 -4.99 116.55 121.23 1uks n ASP 295 Ca -0.09 0.04 -0.22 0.00 2.57 0.00 0.00 54.79 57.10 1uks n ASP 295 Cb 0.30 0.84 0.05 0.00 1.84 0.00 0.00 41.12 44.15 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 -2.28 -2.31 -0.89 -2.24 5.15 0.27 -4.90 115.26 108.05 1uks n ASN 296 Ca 0.00 -0.75 0.07 0.00 -0.60 0.00 0.00 54.58 53.31 1uks n ASN 296 Cb 0.50 -4.34 0.22 0.00 -0.53 0.00 0.00 39.78 35.63 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 -4.36 1.34 -3.72 -0.44 -2.24 -0.37 -4.99 114.28 99.49 1uks n THR 297 Ca -0.22 -1.18 -0.06 0.00 -2.27 0.00 0.00 64.05 60.31 1uks n THR 297 Cb 0.64 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.15 -0.27 0.00 3.42 -1.08 -1.22 -4.97 116.67 111.39 1uks s ASP 298 Ca 0.33 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 1uks s ASP 298 Cb 0.20 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.23 1uks s ASP 298 CO 0.18 -1.03 0.00 -0.46 0.52 0.00 0.00 175.17 174.38 1uks n ASN 299 N -0.43 1.89 0.27 -0.34 0.23 -1.26 -4.37 115.26 111.26 1uks n ASN 299 Ca -0.07 -0.94 0.13 0.00 -0.53 0.00 0.00 54.58 53.17 1uks n ASN 299 Cb 0.61 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 39.09 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 -0.36 -3.83 2.86 -1.63 -1.36 114.93 110.61 1uks h MET 300 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1uks h MET 300 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1uks h MET 300 CO 0.00 0.06 0.07 1.88 1.06 0.00 0.00 176.91 179.98 1uks h TYR 301 N 0.00 0.54 -0.13 -0.22 -1.99 -1.85 0.10 116.97 113.42 1uks h TYR 301 Ca -0.00 -0.04 -0.18 0.00 2.00 0.00 0.00 58.73 60.51 1uks h TYR 301 Cb 0.15 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.71 1uks h TYR 301 CO 0.00 0.48 -0.67 0.78 -0.00 0.00 0.00 178.16 178.75 1uks h GLY 302 N 0.77 0.56 0.76 3.88 0.00 -1.65 -0.21 103.07 107.18 1uks h GLY 302 Ca 0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1uks h GLY 302 CO -0.00 0.66 0.01 -2.00 0.00 0.00 0.00 176.54 175.20 1uks h LEU 303 N 0.37 0.15 -0.53 3.11 5.85 -1.08 -1.50 115.31 121.68 1uks h LEU 303 Ca -0.02 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1uks h LEU 303 Cb 1.24 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1uks h LEU 303 CO 0.12 0.40 0.02 0.50 -0.34 0.00 0.00 178.44 179.15 1uks h LYS 304 N -0.11 0.14 -0.38 1.25 3.64 -0.78 -0.78 116.57 119.55 1uks h LYS 304 Ca 0.03 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1uks h LYS 304 Cb 0.32 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1uks h LYS 304 CO 0.00 0.09 -0.10 0.00 -2.27 0.00 0.00 179.45 177.17 1uks h ALA 305 N 1.46 1.10 -0.27 5.00 0.00 -0.83 -1.55 119.26 124.17 1uks h ALA 305 Ca 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1uks h ALA 305 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1uks h ALA 305 CO -0.42 0.56 0.10 1.98 0.00 0.00 0.00 179.25 181.47 1uks h MET 306 N 0.61 0.41 -0.33 0.00 1.85 -0.72 0.53 114.93 117.29 1uks h MET 306 Ca 0.11 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1uks h MET 306 Cb 0.54 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.49 1uks h MET 306 CO 0.03 0.45 0.21 -0.07 -0.40 0.00 0.00 176.91 177.13 1uks h LEU 307 N 0.29 0.39 -0.06 3.39 4.07 -0.84 0.62 115.31 123.17 1uks h LEU 307 Ca 0.09 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.91 1uks h LEU 307 Cb 0.20 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1uks h LEU 307 CO -0.01 0.31 -0.39 -0.33 -1.08 0.00 0.00 178.44 176.94 1uks h GLU 308 N 0.44 0.36 -0.84 1.13 5.08 -1.25 -2.88 114.58 116.63 1uks h GLU 308 Ca 0.12 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1uks h GLU 308 Cb -0.02 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1uks h GLU 308 CO -0.02 0.97 0.45 0.78 -1.00 0.00 0.00 179.01 180.18 1uks h GLY 309 N -0.14 1.25 2.00 -3.84 0.00 -0.80 -2.85 103.07 98.69 1uks h GLY 309 Ca -0.03 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 1uks h GLY 309 CO 0.08 0.55 -0.38 1.48 0.00 0.00 0.00 176.54 178.26 1uks h SER 310 N 1.17 0.00 0.25 0.19 4.64 -0.89 -2.26 113.55 116.65 1uks h SER 310 Ca 0.29 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 1uks h SER 310 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1uks h SER 310 CO -0.05 0.38 -0.25 -0.08 -0.87 0.00 0.00 176.83 175.97 1uks h GLU 311 N 0.00 0.01 0.01 4.77 4.81 -1.27 -2.15 114.58 120.76 1uks h GLU 311 Ca -0.00 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 1uks h GLU 311 Cb 1.03 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.36 1uks h GLU 311 CO 0.05 0.26 -1.83 1.33 -0.73 0.00 0.00 179.01 178.08 1uks n VAL 312 N -4.24 1.58 0.10 0.32 0.24 -1.11 -4.41 118.33 110.80 1uks n VAL 312 Ca -0.02 -0.80 -0.05 0.00 -2.04 0.00 0.00 64.34 61.43 1uks n VAL 312 Cb 0.30 -0.99 0.04 0.00 -1.47 0.00 0.00 33.84 31.73 1uks n VAL 312 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1uks h ASP 313 N 0.00 0.11 -3.42 -1.34 3.32 -1.30 -3.40 116.42 110.39 1uks h ASP 313 Ca -0.34 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.03 1uks h ASP 313 Cb 2.05 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 41.47 1uks h ASP 313 CO 0.07 0.86 0.04 -0.31 -1.72 0.00 0.00 179.24 178.18 1uks s TYR 314 N -3.28 3.39 0.31 4.55 2.02 -0.82 -4.92 117.35 118.60 1uks s TYR 314 Ca -0.02 0.89 0.08 0.00 -0.37 0.00 0.00 57.07 57.65 1uks s TYR 314 Cb 0.11 -2.74 0.50 0.00 -0.40 0.00 0.00 41.96 39.43 1uks s TYR 314 CO 0.80 -0.11 1.72 0.00 -1.57 0.00 0.00 175.55 176.39 1uks h ALA 315 N 7.38 1.15 -2.66 3.71 0.00 -1.87 -3.32 119.26 123.65 1uks h ALA 315 Ca -0.33 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.57 1uks h ALA 315 Cb 1.15 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.45 1uks h ALA 315 CO 0.76 0.57 -0.70 1.04 0.00 0.00 0.00 179.25 180.92 1uks n GLN 316 N -4.03 1.58 0.27 0.00 3.00 -1.26 -4.94 117.38 112.00 1uks n GLN 316 Ca -0.01 -4.18 0.14 0.00 -0.01 0.00 0.00 57.00 52.93 1uks n GLN 316 Cb 0.47 -2.08 0.79 0.00 0.00 0.00 0.00 30.24 29.42 1uks n GLN 316 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1uks h VAL 317 N 3.97 0.54 0.00 5.09 3.04 -1.88 -2.13 116.25 124.88 1uks h VAL 317 Ca 0.18 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1uks h VAL 317 Cb 0.77 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1uks h VAL 317 CO 0.66 0.08 0.00 0.59 -1.01 0.00 0.00 177.57 177.89 1uks n ASN 318 N -3.69 0.00 -0.74 3.17 3.02 -1.26 -2.45 115.26 113.31 1uks n ASN 318 Ca -0.02 -0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.58 1uks n ASN 318 Cb 0.19 -0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.26 2.53 -4.78 6.41 10.43 -0.80 -4.29 116.55 124.80 1uks n ASP 319 Ca 0.10 -1.76 -0.39 0.00 2.57 0.00 0.00 54.79 55.31 1uks n ASP 319 Cb 0.15 0.18 -0.06 0.00 1.84 0.00 0.00 41.12 43.23 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 -2.06 4.60 -0.35 -1.24 -1.52 -1.03 -4.58 119.66 113.49 1uks s GLN 320 Ca 0.23 1.24 -0.15 0.00 -1.95 0.00 0.00 55.36 54.72 1uks s GLN 320 Cb 0.18 -3.12 -0.01 0.00 -0.22 0.00 0.00 33.01 29.84 1uks s GLN 320 CO 0.38 0.48 0.37 0.08 -0.25 0.00 0.00 175.29 176.34 1uks s VAL 321 N -1.30 5.16 0.33 1.09 1.01 -0.72 -0.21 120.40 125.76 1uks s VAL 321 Ca 0.41 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1uks s VAL 321 Cb -0.22 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1uks s VAL 321 CO 0.26 -0.12 0.51 0.42 0.00 0.00 0.00 175.10 176.17 1uks s THR 322 N 2.03 4.87 -0.05 3.92 -4.23 -0.35 0.01 115.64 121.84 1uks s THR 322 Ca 0.12 -0.67 -0.31 0.00 -1.18 0.00 0.00 61.69 59.65 1uks s THR 322 Cb -0.17 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.04 1uks s THR 322 CO 0.12 -0.42 1.21 0.72 -0.54 0.00 0.00 174.62 175.70 1uks s PHE 323 N -2.25 -0.09 -0.25 3.99 -0.12 -1.26 -0.71 117.98 117.29 1uks s PHE 323 Ca 0.40 -0.01 0.06 0.00 -0.05 0.00 0.00 56.93 57.32 1uks s PHE 323 Cb -0.09 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.78 1uks s PHE 323 CO 0.34 -0.32 0.24 0.44 -0.05 0.00 0.00 175.22 175.86 1uks n ILE 324 N -0.35 0.00 -3.71 -4.49 -5.35 -1.26 -4.03 119.36 100.16 1uks n ILE 324 Ca -0.06 -0.34 -0.03 0.00 -0.27 0.00 0.00 62.75 62.05 1uks n ILE 324 Cb 0.61 0.95 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.64 -0.18 0.00 7.28 1.47 -1.26 -4.73 116.67 117.61 1uks s ASP 325 Ca 0.02 -0.33 0.00 0.00 1.18 0.00 0.00 52.55 53.42 1uks s ASP 325 Cb 0.04 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 43.06 1uks s ASP 325 CO 0.24 -0.80 0.00 -0.46 0.68 0.00 0.00 175.17 174.83 1uks n ASN 326 N -0.45 0.00 0.31 2.11 0.23 -1.26 -4.52 115.26 111.68 1uks n ASN 326 Ca -0.07 -0.98 0.15 0.00 -0.53 0.00 0.00 54.58 53.15 1uks n ASN 326 Cb 0.61 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.14 1uks n ASN 326 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 1uks h HIS 327 N 0.98 0.00 -0.33 -2.53 2.07 -1.99 -2.54 115.15 110.82 1uks h HIS 327 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 1uks h HIS 327 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1uks h HIS 327 CO 0.00 0.00 0.01 -0.25 -3.07 0.00 0.00 177.93 174.62 1uks n ASP 328 N -2.80 3.90 -3.94 3.10 10.43 -1.26 -4.59 116.55 121.39 1uks n ASP 328 Ca -0.02 -3.12 -0.08 0.00 2.57 0.00 0.00 54.79 54.13 1uks n ASP 328 Cb 0.30 -0.58 -0.08 0.00 1.84 0.00 0.00 41.12 42.60 1uks n ASP 328 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1uks s MET 329 N -2.89 0.74 0.47 -1.24 -1.94 -0.96 -5.01 119.30 108.47 1uks s MET 329 Ca 0.44 -1.01 -0.25 0.00 -1.71 0.00 0.00 55.69 53.17 1uks s MET 329 Cb 0.36 0.29 -0.08 0.00 2.01 0.00 0.00 34.83 37.41 1uks s MET 329 CO 0.08 -0.20 1.44 -1.21 -0.01 0.00 0.00 175.02 175.12 1uks s GLU 330 N -3.71 3.60 0.58 2.03 2.02 -1.26 -4.56 118.70 117.40 1uks s GLU 330 Ca 0.04 2.44 -0.20 0.00 0.02 0.00 0.00 54.97 57.26 1uks s GLU 330 Cb 0.05 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 1uks s GLU 330 CO -0.10 -0.90 1.32 1.03 0.02 0.00 0.00 175.26 176.63 1uks s ARG 331 N -2.52 2.95 0.06 1.61 0.52 -0.31 -4.76 118.95 116.49 1uks s ARG 331 Ca 0.62 2.13 -0.22 0.00 -0.52 0.00 0.00 55.73 57.74 1uks s ARG 331 Cb -0.44 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.80 1uks s ARG 331 CO 0.56 -1.31 1.57 0.35 0.02 0.00 0.00 175.30 176.49 1uks h PHE 332 N 1.12 0.14 -3.36 -0.53 3.57 -1.84 -3.42 116.94 112.62 1uks h PHE 332 Ca -0.51 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.45 1uks h PHE 332 Cb 1.31 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 40.02 1uks h PHE 332 CO 0.45 0.29 0.54 -1.58 -2.23 0.00 0.00 178.31 175.77 1uks s HIS 333 N -5.39 3.47 0.19 0.41 2.46 -1.26 -4.99 115.29 110.18 1uks s HIS 333 Ca -0.14 1.41 0.04 0.00 0.47 0.00 0.00 55.06 56.83 1uks s HIS 333 Cb 0.05 -3.39 -0.03 0.00 -0.13 0.00 0.00 32.58 29.08 1uks s HIS 333 CO 0.69 -1.10 0.30 0.95 -2.47 0.00 0.00 174.74 173.11 1uks s THR 334 N 0.45 5.21 0.15 0.89 -4.23 -1.26 -4.28 115.64 112.57 1uks s THR 334 Ca 0.55 -0.86 -0.31 0.00 -1.18 0.00 0.00 61.69 59.89 1uks s THR 334 Cb -0.30 -3.75 -0.08 0.00 1.34 0.00 0.00 72.50 69.71 1uks s THR 334 CO 0.33 -0.20 1.39 -0.94 -0.54 0.00 0.00 174.62 174.66 1uks s SER 335 N -3.54 6.81 -1.47 3.99 1.04 -1.26 -1.90 113.70 117.37 1uks s SER 335 Ca 0.34 2.40 -0.04 0.00 0.48 0.00 0.00 55.95 59.13 1uks s SER 335 Cb -0.10 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.44 1uks s SER 335 CO 0.28 -0.64 0.41 0.59 0.98 0.00 0.00 173.24 174.87 1uks n ASN 336 N 3.47 -5.28 -4.97 7.02 3.02 -1.26 -5.00 115.26 112.26 1uks n ASN 336 Ca 0.10 -0.21 -0.21 0.00 -0.03 0.00 0.00 54.58 54.23 1uks n ASN 336 Cb 0.42 -4.32 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 1uks n ASN 336 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uks s GLY 337 N -2.52 1.58 -0.32 7.41 0.00 -0.80 -5.05 107.32 107.62 1uks s GLY 337 Ca 0.24 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.40 1uks s GLY 337 CO 0.30 -1.15 1.29 -0.35 0.00 0.00 0.00 173.10 173.19 1uks s ASP 338 N -4.19 6.66 0.57 1.64 -1.08 -1.26 -4.88 116.67 114.12 1uks s ASP 338 Ca 0.46 1.14 0.26 0.00 -0.52 0.00 0.00 52.55 53.89 1uks s ASP 338 Cb -0.10 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.44 1uks s ASP 338 CO 0.34 -1.10 2.17 0.03 0.52 0.00 0.00 175.17 177.13 1uks h ARG 339 N 9.33 0.00 0.00 4.34 3.08 -1.96 -1.60 114.38 127.57 1uks h ARG 339 Ca -0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1uks h ARG 339 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1uks h ARG 339 CO 1.04 0.00 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.79 1uks h ARG 340 N 0.00 0.00 -0.48 0.04 9.65 -1.99 -2.27 114.38 119.34 1uks h ARG 340 Ca 0.04 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1uks h ARG 340 Cb 0.19 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 1uks h ARG 340 CO -0.00 0.06 0.13 0.87 2.80 0.00 0.00 179.97 183.84 1uks h LYS 341 N 0.00 0.76 -0.27 0.20 1.57 -1.60 -0.68 116.57 116.55 1uks h LYS 341 Ca -0.00 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1uks h LYS 341 Cb 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1uks h LYS 341 CO 0.01 0.73 -0.06 1.25 -0.57 0.00 0.00 179.45 180.81 1uks h LEU 342 N 0.65 0.52 -0.28 2.94 7.12 -1.57 -1.90 115.31 122.78 1uks h LEU 342 Ca 0.15 -0.36 -0.01 0.00 0.13 0.00 0.00 57.88 57.79 1uks h LEU 342 Cb 0.30 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1uks h LEU 342 CO -0.00 0.75 0.14 -0.33 -0.13 0.00 0.00 178.44 178.87 1uks h GLU 343 N 0.27 0.40 -0.78 1.25 5.08 -1.31 -0.90 114.58 118.59 1uks h GLU 343 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1uks h GLU 343 Cb 0.52 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1uks h GLU 343 CO 0.03 0.38 0.45 1.96 -1.00 0.00 0.00 179.01 180.82 1uks h GLN 344 N 0.32 1.07 -0.16 2.33 4.20 -1.07 -1.92 115.11 119.89 1uks h GLN 344 Ca 0.10 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1uks h GLN 344 Cb 0.10 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1uks h GLN 344 CO -0.01 0.77 -0.40 0.00 -0.67 0.00 0.00 178.83 178.52 1uks h ALA 345 N 1.24 1.02 -0.15 3.87 0.00 -1.17 0.12 119.26 124.19 1uks h ALA 345 Ca 0.28 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uks h ALA 345 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uks h ALA 345 CO -0.05 0.61 0.08 -0.07 0.00 0.00 0.00 179.25 179.82 1uks h LEU 346 N 0.30 0.20 -0.78 0.00 4.07 -1.02 -1.14 115.31 116.94 1uks h LEU 346 Ca 0.03 -0.11 0.02 0.00 0.08 0.00 0.00 57.88 57.90 1uks h LEU 346 Cb 0.84 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 1uks h LEU 346 CO 0.07 0.25 0.51 0.00 -1.08 0.00 0.00 178.44 178.18 1uks h ALA 347 N 0.95 1.01 -0.06 1.53 0.00 -0.92 -0.89 119.26 120.88 1uks h ALA 347 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uks h ALA 347 Cb 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1uks h ALA 347 CO -0.01 0.35 0.04 0.35 0.00 0.00 0.00 179.25 179.98 1uks h PHE 348 N 1.01 0.09 -0.48 0.00 3.57 -0.65 -2.18 116.94 118.29 1uks h PHE 348 Ca 0.30 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 1uks h PHE 348 Cb -0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1uks h PHE 348 CO -0.03 0.10 0.05 1.15 -2.23 0.00 0.00 178.31 177.36 1uks h THR 349 N 0.05 1.25 0.00 4.41 2.02 -0.82 -2.36 112.91 117.47 1uks h THR 349 Ca 0.02 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.21 1uks h THR 349 Cb 0.04 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1uks h THR 349 CO -0.00 0.34 -0.15 -0.07 0.37 0.00 0.00 175.52 176.01 1uks h LEU 350 N 0.68 0.00 -2.53 2.58 3.38 -1.10 -2.39 115.31 115.93 1uks h LEU 350 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1uks h LEU 350 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1uks h LEU 350 CO 0.01 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.04 1uks n THR 351 N -4.35 0.74 -3.03 0.22 -2.24 -0.83 -4.89 114.28 99.91 1uks n THR 351 Ca -0.03 -0.87 -0.17 0.00 -2.27 0.00 0.00 64.05 60.71 1uks n THR 351 Cb 0.22 0.75 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.20 5.62 0.77 3.42 0.01 -0.90 -4.92 113.70 116.50 1uks s SER 352 Ca 0.39 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 57.07 1uks s SER 352 Cb 0.21 -0.62 0.06 0.00 0.21 0.00 0.00 66.02 65.88 1uks s SER 352 CO 0.29 -0.78 1.15 0.00 0.41 0.00 0.00 173.24 174.31 1uks s ARG 353 N -4.35 2.05 0.00 12.44 3.03 -1.26 -4.84 118.95 126.01 1uks s ARG 353 Ca 0.55 1.50 0.00 0.00 2.03 0.00 0.00 55.73 59.81 1uks s ARG 353 Cb -0.10 -1.85 0.00 0.00 -1.03 0.00 0.00 34.95 31.97 1uks s ARG 353 CO 0.33 -1.85 0.00 0.41 -1.13 0.00 0.00 175.30 173.06 1uks n GLY 354 N -0.21 -0.61 3.02 3.88 0.00 -1.25 -4.85 105.19 105.16 1uks n GLY 354 Ca 0.11 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 2.00 0.21 1.61 1.01 0.71 -4.59 120.40 121.35 1uks s VAL 355 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.01 1uks s VAL 355 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 1uks s VAL 355 CO 0.00 -0.18 1.04 -2.16 0.00 0.00 0.00 175.10 173.80 1uks s PRO 356 N 1.15 4.69 -0.08 2.72 0.04 -1.26 -1.21 135.00 141.04 1uks s PRO 356 Ca -0.04 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1uks s PRO 356 Cb -0.19 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1uks s PRO 356 CO -0.07 0.24 -0.24 0.00 0.04 0.00 0.00 177.00 176.98 1uks s ALA 357 N -0.68 2.19 -0.19 8.56 0.00 0.11 -0.46 121.76 131.30 1uks s ALA 357 Ca 0.46 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1uks s ALA 357 Cb -0.28 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1uks s ALA 357 CO 0.35 0.35 -0.02 0.42 0.00 0.00 0.00 175.76 176.86 1uks s ILE 358 N 0.11 3.87 0.05 0.00 -1.09 0.17 -4.43 121.20 119.88 1uks s ILE 358 Ca -0.12 -0.35 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 1uks s ILE 358 Cb -0.16 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 1uks s ILE 358 CO 0.06 0.45 1.08 -0.47 -1.23 0.00 0.00 174.94 174.83 1uks s TYR 359 N 0.87 3.58 0.25 3.97 5.04 -1.26 -0.86 117.35 128.94 1uks s TYR 359 Ca 0.00 1.54 -0.29 0.00 -2.44 0.00 0.00 57.07 55.88 1uks s TYR 359 Cb -0.14 -3.25 -0.15 0.00 0.35 0.00 0.00 41.96 38.77 1uks s TYR 359 CO 0.02 -0.55 0.97 2.48 -1.34 0.00 0.00 175.55 177.13 1uks n TYR 360 N 3.68 1.02 -0.10 4.97 4.11 -0.23 -1.54 117.16 129.07 1uks n TYR 360 Ca 0.07 0.74 0.00 0.00 -0.00 0.00 0.00 57.90 58.70 1uks n TYR 360 Cb 0.49 -2.21 0.00 0.00 -0.00 0.00 0.00 39.34 37.61 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 1.50 1.61 0.37 -7.48 0.00 -1.26 -4.90 105.19 95.03 1uks n GLY 361 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 0.92 0.34 1.61 0.02 -1.64 -1.10 113.55 113.70 1uks h SER 362 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1uks h SER 362 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1uks h SER 362 CO 0.00 0.58 0.00 -1.84 -1.14 0.00 0.00 176.83 174.43 1uks n GLU 363 N -4.50 0.17 -0.14 3.45 0.00 -1.26 -1.85 120.64 116.51 1uks n GLU 363 Ca 0.14 0.16 0.05 0.00 0.00 0.00 0.00 57.16 57.51 1uks n GLU 363 Cb 0.21 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.28 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 -1.33 2.62 -3.57 3.44 1.13 -0.43 -4.19 117.38 115.04 1uks n GLN 364 Ca 0.06 -1.88 -0.19 0.00 -1.94 0.00 0.00 57.00 53.05 1uks n GLN 364 Cb 0.14 -1.23 0.06 0.00 0.11 0.00 0.00 30.24 29.32 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 0.40 -2.04 -2.23 1.08 4.01 -0.77 -4.96 117.16 112.64 1uks n TYR 365 Ca 0.10 0.88 -0.41 0.00 -0.16 0.00 0.00 57.90 58.30 1uks n TYR 365 Cb 0.39 -4.66 -0.03 0.00 -0.31 0.00 0.00 39.34 34.73 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 -5.67 4.41 0.28 -0.72 -1.94 -1.14 -4.97 119.30 109.56 1uks s MET 366 Ca 0.02 2.06 0.09 0.00 -1.71 0.00 0.00 55.69 56.15 1uks s MET 366 Cb -0.00 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.62 1uks s MET 366 CO 0.78 -0.19 0.03 -1.12 -0.01 0.00 0.00 175.02 174.51 1uks s SER 367 N 0.04 4.57 0.00 3.03 0.01 -1.26 -4.29 113.70 115.80 1uks s SER 367 Ca 0.54 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1uks s SER 367 Cb -0.37 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1uks s SER 367 CO 0.41 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.60 1uks n GLY 368 N -0.95 3.75 0.00 3.44 0.00 -1.26 -4.85 105.19 105.32 1uks n GLY 368 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.16 0.69 3.82 -0.02 0.00 -1.26 -1.17 105.19 106.09 1uks n GLY 369 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 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 4.28 -0.22 1.61 0.01 -1.26 -1.81 114.94 116.55 1uks s ASN 370 Ca 0.00 1.11 -0.23 0.00 -0.71 0.00 0.00 52.86 53.03 1uks s ASN 370 Cb 0.00 -1.77 -0.10 0.00 0.41 0.00 0.00 41.25 39.80 1uks s ASN 370 CO 0.00 -2.08 0.76 -0.67 -1.51 0.00 0.00 177.10 173.60 1uks n ASP 371 N -3.48 0.53 -1.24 -1.22 4.64 -1.26 -1.23 116.55 113.28 1uks n ASP 371 Ca 0.07 0.58 0.12 0.00 -1.38 0.00 0.00 54.79 54.18 1uks n ASP 371 Cb 0.58 -0.43 0.28 0.00 -1.04 0.00 0.00 41.12 40.51 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 1.82 2.58 0.28 -0.67 -0.04 -1.26 -4.92 135.00 132.79 1uks n PRO 372 Ca 0.15 -2.44 0.18 0.00 -0.04 0.00 0.00 63.50 61.35 1uks n PRO 372 Cb -0.02 -1.54 0.76 0.00 -0.04 0.00 0.00 33.50 32.66 1uks n PRO 372 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1uks h ASP 373 N 4.21 0.00 -0.04 3.54 3.32 -1.35 -0.65 116.42 125.44 1uks h ASP 373 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uks h ASP 373 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1uks h ASP 373 CO 0.00 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.06 1uks n ASN 374 N -3.04 0.68 -2.10 6.45 0.23 -0.75 -4.08 115.26 112.66 1uks n ASN 374 Ca 0.00 -1.40 -0.22 0.00 -0.53 0.00 0.00 54.58 52.43 1uks n ASN 374 Cb 0.26 -0.03 0.02 0.00 -2.08 0.00 0.00 39.78 37.96 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 -0.39 3.47 -1.37 -3.83 1.74 -0.25 -4.91 116.66 111.12 1uks n ARG 375 Ca 0.18 -4.14 -0.30 0.00 -0.77 0.00 0.00 57.85 52.82 1uks n ARG 375 Cb 0.19 -2.23 0.11 0.00 -1.02 0.00 0.00 32.46 29.51 1uks n ARG 375 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uks s ALA 376 N -3.61 1.97 0.42 7.54 0.00 -1.26 -4.90 121.76 121.93 1uks s ALA 376 Ca 0.49 -0.07 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 1uks s ALA 376 Cb 0.40 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.27 1uks s ALA 376 CO 0.02 -1.98 1.26 0.50 0.00 0.00 0.00 175.76 175.57 1uks s ARG 377 N -5.02 3.89 0.20 0.00 3.52 -1.26 -4.91 118.95 115.37 1uks s ARG 377 Ca 0.62 2.04 -0.30 0.00 -0.13 0.00 0.00 55.73 57.96 1uks s ARG 377 Cb -0.16 -2.65 -0.08 0.00 -1.56 0.00 0.00 34.95 30.49 1uks s ARG 377 CO 0.56 -0.52 1.09 -0.48 -0.81 0.00 0.00 175.30 175.14 1uks s LEU 378 N -2.61 4.51 0.10 -0.88 2.34 -0.94 -4.91 118.68 116.30 1uks s LEU 378 Ca 0.59 2.12 0.26 0.00 0.06 0.00 0.00 54.13 57.16 1uks s LEU 378 Cb -0.35 -3.61 1.00 0.00 -0.56 0.00 0.00 46.19 42.67 1uks s LEU 378 CO 0.45 -0.18 1.81 -0.81 -1.06 0.00 0.00 176.35 176.56 1uks n PRO 379 N 2.06 0.12 -3.55 1.48 -0.04 -1.26 -4.90 135.00 128.91 1uks n PRO 379 Ca 0.02 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1uks n PRO 379 Cb 0.46 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1uks n PRO 379 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uks s SER 380 N -3.70 -0.45 -0.27 3.54 0.15 -1.26 -5.02 113.70 106.69 1uks s SER 380 Ca 0.11 0.42 0.09 0.00 0.70 0.00 0.00 55.95 57.28 1uks s SER 380 Cb 0.15 0.38 0.45 0.00 -1.71 0.00 0.00 66.02 65.29 1uks s SER 380 CO 0.52 -0.46 1.30 0.49 1.20 0.00 0.00 173.24 176.29 1uks n PHE 381 N 0.62 1.05 -1.99 3.44 3.72 -1.26 -4.95 117.46 118.08 1uks n PHE 381 Ca -0.12 -1.76 -0.41 0.00 -0.05 0.00 0.00 57.45 55.10 1uks n PHE 381 Cb 0.58 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 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 -3.11 6.63 0.00 4.37 0.15 -1.26 -4.91 113.70 115.56 1uks s SER 382 Ca 0.44 2.70 0.24 0.00 0.70 0.00 0.00 55.95 60.02 1uks s SER 382 Cb 0.39 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 62.25 1uks s SER 382 CO -0.03 -0.71 1.24 0.41 1.20 0.00 0.00 173.24 175.35 1uks n THR 383 N 2.20 0.00 -0.69 6.45 -1.04 -1.26 -4.44 114.28 115.50 1uks n THR 383 Ca 0.06 -0.48 0.08 0.00 -2.04 0.00 0.00 64.05 61.67 1uks n THR 383 Cb 0.40 1.47 0.27 0.00 -1.82 0.00 0.00 70.33 70.66 1uks n THR 383 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1uks n THR 384 N 1.21 1.89 -2.24 12.58 -2.24 -1.26 -4.68 114.28 119.54 1uks n THR 384 Ca 0.13 -1.45 -0.33 0.00 -2.27 0.00 0.00 64.05 60.14 1uks n THR 384 Cb 0.58 0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.11 3.85 0.30 4.28 -4.23 -1.26 -4.92 115.64 111.54 1uks s THR 385 Ca 0.41 0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 61.88 1uks s THR 385 Cb 0.29 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.91 1uks s THR 385 CO 0.15 -0.42 1.91 0.74 -0.54 0.00 0.00 174.62 176.45 1uks h THR 386 N 0.87 1.21 -0.85 3.99 2.02 -1.94 -2.02 112.91 116.18 1uks h THR 386 Ca -0.48 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1uks h THR 386 Cb 1.22 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1uks h THR 386 CO 0.58 0.24 0.45 0.00 0.37 0.00 0.00 175.52 177.17 1uks h ALA 387 N 1.44 1.09 -0.55 6.16 0.00 -1.92 0.10 119.26 125.57 1uks h ALA 387 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1uks h ALA 387 Cb 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1uks h ALA 387 CO -0.03 0.62 0.30 -0.92 0.00 0.00 0.00 179.25 179.22 1uks h TYR 388 N 1.20 0.76 -0.54 0.00 3.20 -1.58 -2.39 116.97 117.62 1uks h TYR 388 Ca 0.30 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 1uks h TYR 388 Cb 0.06 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1uks h TYR 388 CO 0.01 0.55 -0.09 1.96 -1.64 0.00 0.00 178.16 178.95 1uks h GLN 389 N 0.74 0.99 -0.27 1.82 4.20 -0.75 -0.26 115.11 121.59 1uks h GLN 389 Ca 0.19 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 1uks h GLN 389 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1uks h GLN 389 CO -0.03 1.03 -0.29 -0.39 -0.67 0.00 0.00 178.83 178.48 1uks h VAL 390 N 0.89 1.28 -0.26 -0.54 -1.51 -0.82 -0.92 116.25 114.37 1uks h VAL 390 Ca 0.14 -1.36 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 1uks h VAL 390 Cb 0.64 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1uks h VAL 390 CO 0.04 0.43 0.07 0.40 -1.23 0.00 0.00 177.57 177.29 1uks h ILE 391 N 0.47 1.20 -0.60 7.19 2.04 -1.20 -1.89 117.51 124.72 1uks h ILE 391 Ca 0.06 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.35 1uks h ILE 391 Cb 0.74 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1uks h ILE 391 CO 0.06 0.21 0.40 -0.61 0.00 0.00 0.00 178.15 178.21 1uks h GLN 392 N 0.25 0.45 0.01 2.37 4.15 -0.69 0.36 115.11 122.01 1uks h GLN 392 Ca 0.08 -0.03 -0.23 0.00 0.77 0.00 0.00 58.65 59.25 1uks h GLN 392 Cb 0.26 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1uks h GLN 392 CO -0.00 0.30 -1.14 0.87 -1.93 0.00 0.00 178.83 176.93 1uks h LYS 393 N 0.47 0.02 0.00 1.69 1.57 -0.93 -3.41 116.57 115.98 1uks h LYS 393 Ca 0.27 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.71 1uks h LYS 393 Cb 0.46 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 1uks h LYS 393 CO -0.08 0.94 -2.16 1.28 -0.57 0.00 0.00 179.45 178.86 1uks n LEU 394 N -3.32 0.26 -0.25 2.94 4.77 -0.73 -4.51 117.00 116.16 1uks n LEU 394 Ca -0.04 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1uks n LEU 394 Cb 0.96 0.31 0.13 0.00 -2.33 0.00 0.00 43.42 42.49 1uks n LEU 394 CO 0.47 0.46 1.10 0.00 -1.33 0.00 0.00 177.39 178.09 1uks h ALA 395 N 0.76 1.00 -0.75 -1.18 0.00 -1.16 -1.86 119.26 116.06 1uks h ALA 395 Ca -0.46 0.03 0.21 0.00 0.00 0.00 0.00 54.91 54.69 1uks h ALA 395 Cb 2.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1uks h ALA 395 CO 0.02 0.05 0.53 -1.35 0.00 0.00 0.00 179.25 178.50 1uks h PRO 396 N 0.70 0.05 0.00 0.00 0.11 -1.79 -1.83 132.00 129.25 1uks h PRO 396 Ca 0.34 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.43 1uks h PRO 396 Cb 0.28 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1uks h PRO 396 CO -0.22 0.04 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.46 1uks h LEU 397 N 0.06 0.00 -1.05 2.35 4.07 -1.57 0.39 115.31 119.56 1uks h LEU 397 Ca 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.27 1uks h LEU 397 Cb 1.36 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 1uks h LEU 397 CO -0.02 0.08 -0.26 0.03 -1.08 0.00 0.00 178.44 177.18 1uks h ARG 398 N 0.00 0.00 0.15 1.13 3.08 -1.45 0.74 114.38 118.03 1uks h ARG 398 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 1uks h ARG 398 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1uks h ARG 398 CO 0.01 0.26 -1.70 0.87 -1.07 0.00 0.00 179.97 178.34 1uks h LYS 399 N 0.00 0.32 0.00 0.04 1.79 -1.04 -3.40 116.57 114.28 1uks h LYS 399 Ca -0.00 -0.55 -0.27 0.00 -2.18 0.00 0.00 60.65 57.64 1uks h LYS 399 Cb 0.79 0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 1uks h LYS 399 CO 0.03 1.21 -1.72 -1.13 -1.08 0.00 0.00 179.45 176.77 1uks n SER 400 N -3.52 0.79 -4.15 0.86 3.41 -0.57 -4.79 113.62 105.66 1uks n SER 400 Ca -0.22 0.37 -0.36 0.00 -0.26 0.00 0.00 58.87 58.40 1uks n SER 400 Cb 1.06 0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.97 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 -5.97 5.20 0.29 4.04 3.04 0.24 -4.98 114.94 116.80 1uks s ASN 401 Ca -0.05 -1.79 0.21 0.00 0.04 0.00 0.00 52.86 51.27 1uks s ASN 401 Cb 0.08 -1.81 1.06 0.00 -1.54 0.00 0.00 41.25 39.04 1uks s ASN 401 CO 0.82 -0.47 1.63 -0.81 -3.04 0.00 0.00 177.10 175.24 1uks n PRO 402 N 4.63 0.14 -0.20 0.43 -0.04 -1.26 -1.75 135.00 136.95 1uks n PRO 402 Ca -0.06 0.58 -0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1uks n PRO 402 Cb 0.42 -1.91 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 1uks n PRO 402 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uks h ALA 403 N 2.06 0.77 -0.16 0.55 0.00 -1.82 0.21 119.26 120.87 1uks h ALA 403 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1uks h ALA 403 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1uks h ALA 403 CO 0.00 0.63 -0.46 0.82 0.00 0.00 0.00 179.25 180.24 1uks h ILE 404 N 0.91 1.34 -0.40 0.00 2.04 -1.64 0.30 117.51 120.06 1uks h ILE 404 Ca 0.16 -1.72 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 1uks h ILE 404 Cb 0.59 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1uks h ILE 404 CO 0.03 0.53 -0.22 0.00 0.00 0.00 0.00 178.15 178.49 1uks h ALA 405 N 0.55 0.85 0.00 1.87 0.00 -1.45 -3.39 119.26 117.69 1uks h ALA 405 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1uks h ALA 405 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1uks h ALA 405 CO 0.10 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.64 1uks n TYR 406 N -4.11 0.00 -1.59 0.00 4.02 0.71 -4.71 117.16 111.48 1uks n TYR 406 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 1uks n TYR 406 Cb 0.44 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.16 1.64 0.92 2.72 0.00 0.11 -4.96 107.32 107.58 1uks s GLY 407 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 1uks s GLY 407 CO 0.00 0.27 1.09 -1.35 0.00 0.00 0.00 173.10 173.12 1uks s SER 408 N -3.90 3.19 -0.06 1.64 1.04 -0.67 -4.67 113.70 110.27 1uks s SER 408 Ca 0.59 1.68 0.06 0.00 0.48 0.00 0.00 55.95 58.77 1uks s SER 408 Cb -0.14 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 1uks s SER 408 CO 0.54 -2.85 -0.25 -0.89 0.98 0.00 0.00 173.24 170.78 1uks s THR 409 N -2.81 2.05 -0.07 2.02 2.01 -1.26 -2.83 115.64 114.76 1uks s THR 409 Ca 0.64 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 1uks s THR 409 Cb -0.20 -1.74 0.04 0.00 0.01 0.00 0.00 72.50 70.62 1uks s THR 409 CO 0.58 0.57 0.11 -2.28 -0.69 0.00 0.00 174.62 172.91 1uks s HIS 410 N -0.13 -0.06 0.11 4.92 5.04 0.22 -4.96 115.29 120.44 1uks s HIS 410 Ca -0.05 0.42 -0.30 0.00 -1.54 0.00 0.00 55.06 53.59 1uks s HIS 410 Cb -0.14 -0.38 -0.07 0.00 0.04 0.00 0.00 32.58 32.04 1uks s HIS 410 CO 0.04 -0.24 1.18 -2.00 -2.34 0.00 0.00 174.74 171.38 1uks s GLU 411 N 2.23 4.48 -0.03 2.88 -6.30 -1.26 -0.12 118.70 120.58 1uks s GLU 411 Ca 0.04 1.78 0.04 0.00 -2.50 0.00 0.00 54.97 54.33 1uks s GLU 411 Cb -0.12 -3.31 -0.07 0.00 0.00 0.00 0.00 34.13 30.63 1uks s GLU 411 CO -0.05 -0.15 0.05 0.54 0.02 0.00 0.00 175.26 175.67 1uks n ARG 412 N 3.31 2.10 -3.73 4.30 5.12 -0.08 -4.93 116.66 122.74 1uks n ARG 412 Ca 0.07 -0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.84 1uks n ARG 412 Cb 0.46 -1.12 -0.10 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.20 -0.41 -0.12 -1.55 -0.00 -1.13 -4.71 118.94 108.82 1uks s TRP 413 Ca -0.02 0.98 -0.25 0.00 -0.00 0.00 0.00 56.10 56.80 1uks s TRP 413 Cb 0.02 0.15 0.06 0.00 -0.00 0.00 0.00 33.47 33.70 1uks s TRP 413 CO 0.20 -0.24 0.62 -1.50 -0.00 0.00 0.00 176.95 176.02 1uks s ILE 414 N -0.01 0.01 0.00 5.86 2.07 -1.26 -1.29 121.20 126.58 1uks s ILE 414 Ca -0.02 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1uks s ILE 414 Cb -0.03 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.65 1uks s ILE 414 CO 0.01 -0.03 0.00 -0.46 -1.91 0.00 0.00 174.94 172.55 1uks n ASN 415 N 1.67 0.00 -0.20 4.50 2.04 -0.93 -4.99 115.26 117.35 1uks n ASN 415 Ca -0.17 -0.86 0.07 0.00 -0.44 0.00 0.00 54.58 53.18 1uks n ASN 415 Cb 0.56 0.00 0.36 0.00 -2.53 0.00 0.00 39.78 38.17 1uks n ASN 415 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 1uks h ASN 416 N 0.00 0.66 -0.01 0.53 2.35 -1.99 -3.20 115.58 113.93 1uks h ASN 416 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1uks h ASN 416 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1uks h ASN 416 CO 0.00 0.41 -0.15 0.47 -1.65 0.00 0.00 177.43 176.51 1uks n ASP 417 N -4.49 1.28 -4.14 5.81 8.00 -1.26 -2.12 116.55 119.63 1uks n ASP 417 Ca 0.12 -1.14 -0.25 0.00 0.71 0.00 0.00 54.79 54.23 1uks n ASP 417 Cb 0.27 0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.18 1.32 0.00 2.53 1.01 -1.21 -0.70 120.40 122.17 1uks s VAL 418 Ca 0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1uks s VAL 418 Cb 0.07 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1uks s VAL 418 CO 0.21 0.38 -0.08 -0.51 0.00 0.00 0.00 175.10 175.10 1uks s ILE 419 N -0.21 0.61 -0.15 2.22 2.07 -0.60 -2.19 121.20 122.95 1uks s ILE 419 Ca 0.02 -0.44 -0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1uks s ILE 419 Cb -0.08 -0.54 0.04 0.00 0.13 0.00 0.00 42.46 42.00 1uks s ILE 419 CO 0.00 0.09 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.43 1uks s ILE 420 N -0.35 1.17 0.25 2.00 1.01 -0.41 -1.21 121.20 123.66 1uks s ILE 420 Ca 0.01 -0.57 0.12 0.00 0.00 0.00 0.00 60.65 60.21 1uks s ILE 420 Cb -0.04 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1uks s ILE 420 CO -0.00 0.23 -0.19 -0.72 0.00 0.00 0.00 174.94 174.25 1uks s TYR 421 N 1.62 2.34 -0.04 3.97 1.13 -0.64 -0.90 117.35 124.83 1uks s TYR 421 Ca 0.02 -0.33 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 1uks s TYR 421 Cb -0.14 -1.06 -0.01 0.00 -1.10 0.00 0.00 41.96 39.64 1uks s TYR 421 CO -0.08 0.64 -0.24 -2.00 -2.51 0.00 0.00 175.55 171.36 1uks s GLU 422 N -3.25 2.27 -0.12 -3.49 2.12 0.83 -1.43 118.70 115.62 1uks s GLU 422 Ca 0.27 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 1uks s GLU 422 Cb -0.06 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 1uks s GLU 422 CO 0.14 0.41 -0.06 1.03 -0.54 0.00 0.00 175.26 176.23 1uks s ARG 423 N -0.26 3.34 -0.04 4.30 1.81 -0.28 -0.61 118.95 127.21 1uks s ARG 423 Ca 0.00 -0.56 -0.02 0.00 -1.72 0.00 0.00 55.73 53.43 1uks s ARG 423 Cb -0.12 -2.76 0.02 0.00 -0.45 0.00 0.00 34.95 31.64 1uks s ARG 423 CO 0.02 0.37 0.10 0.21 -0.68 0.00 0.00 175.30 175.31 1uks s LYS 424 N -0.00 0.07 -0.25 3.54 2.20 -1.13 -1.80 119.74 122.37 1uks s LYS 424 Ca -0.00 0.21 -0.02 0.00 -0.36 0.00 0.00 55.97 55.80 1uks s LYS 424 Cb -0.14 -0.07 0.13 0.00 -1.51 0.00 0.00 37.83 36.24 1uks s LYS 424 CO 0.03 -0.09 0.31 0.12 -0.36 0.00 0.00 175.35 175.37 1uks s PHE 425 N 0.57 -0.58 0.00 4.03 5.36 -0.87 -1.67 117.98 124.81 1uks s PHE 425 Ca -0.04 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1uks s PHE 425 Cb -0.06 -0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.37 1uks s PHE 425 CO -0.02 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.37 1uks n GLY 426 N 5.33 3.16 1.09 13.12 0.00 -1.26 -1.92 105.19 124.71 1uks n GLY 426 Ca -0.03 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 7.15 3.73 -4.79 1.61 3.02 -1.26 -4.92 115.26 119.81 1uks n ASN 427 Ca 0.00 -2.19 -0.39 0.00 -0.03 0.00 0.00 54.58 51.97 1uks n ASN 427 Cb 0.00 -0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.07 7.17 0.01 6.41 0.01 -0.81 -4.48 114.94 122.19 1uks s ASN 428 Ca 0.39 1.39 0.00 0.00 -0.71 0.00 0.00 52.86 53.93 1uks s ASN 428 Cb 0.23 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 1uks s ASN 428 CO 0.23 0.21 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.32 1uks s VAL 429 N -0.93 0.12 -0.00 1.60 1.01 0.35 -2.06 120.40 120.49 1uks s VAL 429 Ca 0.32 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1uks s VAL 429 Cb -0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1uks s VAL 429 CO 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 175.10 175.03 1uks s ALA 430 N -0.72 0.51 -0.05 5.51 0.00 -0.74 -0.64 121.76 125.62 1uks s ALA 430 Ca -0.07 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1uks s ALA 430 Cb -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1uks s ALA 430 CO -0.00 0.12 -0.09 0.08 0.00 0.00 0.00 175.76 175.86 1uks s VAL 431 N -0.16 0.89 -0.07 0.00 1.01 0.58 -1.12 120.40 121.52 1uks s VAL 431 Ca 0.02 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1uks s VAL 431 Cb -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1uks s VAL 431 CO -0.00 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.57 1uks s VAL 432 N 0.60 1.22 -0.10 2.92 1.01 -0.52 -0.95 120.40 124.58 1uks s VAL 432 Ca -0.11 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1uks s VAL 432 Cb -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1uks s VAL 432 CO 0.02 0.37 -0.22 0.00 0.00 0.00 0.00 175.10 175.27 1uks s ALA 433 N 0.59 2.07 -0.07 5.51 0.00 -0.52 -1.62 121.76 127.73 1uks s ALA 433 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1uks s ALA 433 Cb -0.16 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.17 1uks s ALA 433 CO 0.04 0.21 -0.06 0.42 0.00 0.00 0.00 175.76 176.37 1uks s ILE 434 N 0.47 0.74 -0.44 0.00 1.01 -0.35 -1.78 121.20 120.86 1uks s ILE 434 Ca -0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1uks s ILE 434 Cb -0.17 -0.77 0.10 0.00 0.01 0.00 0.00 42.46 41.63 1uks s ILE 434 CO 0.06 0.30 0.28 0.21 0.00 0.00 0.00 174.94 175.79 1uks s ASN 435 N 1.34 5.58 0.00 3.58 2.47 -0.21 -1.57 114.94 126.13 1uks s ASN 435 Ca -0.03 -1.80 0.20 0.00 0.42 0.00 0.00 52.86 51.64 1uks s ASN 435 Cb -0.14 -1.96 0.97 0.00 -1.45 0.00 0.00 41.25 38.68 1uks s ASN 435 CO -0.03 -0.61 1.64 -2.11 -3.72 0.00 0.00 177.10 172.28 1uks n ARG 436 N 4.84 0.20 -2.65 0.43 1.85 0.13 -2.90 116.66 118.55 1uks n ARG 436 Ca -0.08 0.11 -0.43 0.00 -1.00 0.00 0.00 57.85 56.46 1uks n ARG 436 Cb 0.42 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 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 -2.71 7.04 0.00 2.89 3.84 -1.26 -4.75 114.94 119.99 1uks s ASN 437 Ca 0.16 1.28 0.30 0.00 0.21 0.00 0.00 52.86 54.81 1uks s ASN 437 Cb 0.13 -2.54 1.55 0.00 -0.55 0.00 0.00 41.25 39.85 1uks s ASN 437 CO 0.33 -0.74 2.05 0.23 -2.79 0.00 0.00 177.10 176.18 1uks n MET 438 N 6.51 0.69 0.00 0.43 2.81 -1.26 -1.11 117.12 125.18 1uks n MET 438 Ca 0.12 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1uks n MET 438 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1uks n MET 438 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1uks n ASN 439 N -1.09 2.63 -4.17 7.83 4.13 -1.26 -4.63 115.26 118.70 1uks n ASN 439 Ca 0.17 -0.13 -0.32 0.00 1.68 0.00 0.00 54.58 55.99 1uks n ASN 439 Cb 0.22 0.78 -0.17 0.00 -1.54 0.00 0.00 39.78 39.07 1uks n ASN 439 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1uks s THR 440 N -1.30 2.02 0.73 3.41 2.01 -1.25 -4.91 115.64 116.34 1uks s THR 440 Ca 0.00 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 1uks s THR 440 Cb 0.00 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.77 1uks s THR 440 CO 0.00 0.54 1.13 -2.16 -0.69 0.00 0.00 174.62 173.44 1uks s PRO 441 N 0.73 2.33 -0.12 4.92 0.04 -1.26 -4.06 135.00 137.58 1uks s PRO 441 Ca -0.10 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1uks s PRO 441 Cb -0.16 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 1uks s PRO 441 CO 0.00 -1.62 -0.21 0.00 0.04 0.00 0.00 177.00 175.22 1uks s ALA 442 N -2.47 2.31 -0.40 8.56 0.00 0.02 -4.93 121.76 124.84 1uks s ALA 442 Ca 0.67 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 1uks s ALA 442 Cb -0.21 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 21.96 1uks s ALA 442 CO 0.48 0.20 0.82 -1.12 0.00 0.00 0.00 175.76 176.13 1uks s SER 443 N 0.47 6.51 -0.35 0.00 0.01 -1.26 -0.93 113.70 118.15 1uks s SER 443 Ca -0.14 0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.18 1uks s SER 443 Cb -0.17 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1uks s SER 443 CO 0.06 -0.84 0.32 -0.63 0.41 0.00 0.00 173.24 172.56 1uks s ILE 444 N 3.28 5.21 -0.03 1.44 -1.09 -0.00 -4.99 121.20 125.01 1uks s ILE 444 Ca 0.32 -0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.67 1uks s ILE 444 Cb -0.12 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1uks s ILE 444 CO 0.20 -0.10 -0.14 -0.89 -1.23 0.00 0.00 174.94 172.79 1uks s THR 445 N 1.90 1.16 0.00 2.92 2.01 -1.26 -2.47 115.64 119.90 1uks s THR 445 Ca 0.09 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1uks s THR 445 Cb -0.17 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1uks s THR 445 CO 0.11 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1uks n GLY 446 N 3.18 0.79 3.68 4.40 0.00 -1.26 -5.04 105.19 110.94 1uks n GLY 446 Ca -0.18 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 4.26 -0.07 0.99 2.96 -1.26 -4.98 118.68 120.58 1uks s LEU 447 Ca 0.00 1.83 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 1uks s LEU 447 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1uks s LEU 447 CO 0.00 -0.66 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.51 1uks s VAL 448 N 2.64 2.74 0.33 1.68 1.01 -1.26 -1.03 120.40 126.51 1uks s VAL 448 Ca 0.57 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1uks s VAL 448 Cb -0.25 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1uks s VAL 448 CO 0.21 0.57 0.12 0.42 0.00 0.00 0.00 175.10 176.41 1uks s THR 449 N -0.30 0.63 -1.55 3.92 -4.23 -0.14 -4.91 115.64 109.05 1uks s THR 449 Ca 0.02 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.65 1uks s THR 449 Cb -0.13 -2.55 0.43 0.00 1.34 0.00 0.00 72.50 71.59 1uks s THR 449 CO 0.03 0.00 1.31 -1.20 -0.54 0.00 0.00 174.62 174.21 1uks n SER 450 N -0.90 2.85 -4.76 3.99 7.64 -1.26 -4.31 113.62 116.87 1uks n SER 450 Ca -0.02 -2.17 -0.40 0.00 1.01 0.00 0.00 58.87 57.29 1uks n SER 450 Cb 0.65 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.21 4.51 0.73 -3.43 1.02 -1.26 -4.97 118.68 114.08 1uks s LEU 451 Ca 0.31 2.37 -0.16 0.00 0.02 0.00 0.00 54.13 56.67 1uks s LEU 451 Cb 0.19 -3.65 0.01 0.00 0.02 0.00 0.00 46.19 42.76 1uks s LEU 451 CO 0.17 -0.25 0.97 -2.65 0.02 0.00 0.00 176.35 174.61 1uks n PRO 452 N 1.06 0.46 -2.05 1.29 -0.02 -1.26 -4.18 135.00 130.30 1uks n PRO 452 Ca -0.01 0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 1uks n PRO 452 Cb 0.44 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1uks n PRO 452 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1uks s ARG 453 N -3.41 4.21 0.00 -0.52 1.70 -1.26 -4.78 118.95 114.89 1uks s ARG 453 Ca 0.73 2.26 0.00 0.00 -0.47 0.00 0.00 55.73 58.25 1uks s ARG 453 Cb -0.34 -2.97 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1uks s ARG 453 CO 0.51 -0.33 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 1uks n GLY 454 N 0.71 -0.76 3.36 3.88 0.00 -0.17 -4.96 105.19 107.24 1uks n GLY 454 Ca 0.01 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 1uks n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uks s SER 455 N -3.01 3.16 -0.08 1.61 1.04 -1.26 -0.47 113.70 114.69 1uks s SER 455 Ca 0.00 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1uks s SER 455 Cb 0.00 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1uks s SER 455 CO 0.00 0.21 -0.17 -0.31 0.98 0.00 0.00 173.24 173.95 1uks s TYR 456 N -0.93 1.87 0.42 5.02 2.02 0.18 -4.95 117.35 120.98 1uks s TYR 456 Ca 0.12 -0.73 -0.23 0.00 -0.37 0.00 0.00 57.07 55.86 1uks s TYR 456 Cb -0.10 -1.31 -0.09 0.00 -0.40 0.00 0.00 41.96 40.06 1uks s TYR 456 CO 0.04 -0.33 1.07 -0.80 -1.57 0.00 0.00 175.55 173.95 1uks s ASN 457 N 0.55 6.62 0.09 2.29 0.02 -1.26 -0.94 114.94 122.31 1uks s ASN 457 Ca -0.16 2.07 -0.31 0.00 -1.02 0.00 0.00 52.86 53.44 1uks s ASN 457 Cb -0.17 -2.59 -0.09 0.00 0.02 0.00 0.00 41.25 38.43 1uks s ASN 457 CO 0.06 -0.59 1.65 -0.62 0.02 0.00 0.00 177.10 177.62 1uks s ASP 458 N -1.57 6.59 0.48 -1.22 2.15 -1.24 -4.62 116.67 117.25 1uks s ASP 458 Ca 0.60 2.52 0.16 0.00 0.43 0.00 0.00 52.55 56.26 1uks s ASP 458 Cb -0.23 -2.57 1.16 0.00 -0.30 0.00 0.00 42.92 40.98 1uks s ASP 458 CO 0.28 -0.88 2.07 0.58 -0.17 0.00 0.00 175.17 177.05 1uks h VAL 459 N 4.67 1.04 0.00 1.11 2.07 -1.17 -0.73 116.25 123.23 1uks h VAL 459 Ca -0.43 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1uks h VAL 459 Cb 1.20 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1uks h VAL 459 CO 0.93 0.10 0.00 0.18 0.02 0.00 0.00 177.57 178.80 1uks n LEU 460 N -4.37 0.00 -1.55 2.57 4.77 -1.26 -4.89 117.00 112.28 1uks n LEU 460 Ca -0.03 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 1uks n LEU 460 Cb 0.18 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1uks n LEU 460 CO 0.35 -0.02 -0.19 0.61 -1.33 0.00 0.00 177.39 176.81 1uks n GLY 461 N 0.55 1.33 2.11 -0.72 0.00 -0.28 -2.23 105.19 105.95 1uks n GLY 461 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.79 0.79 0.27 -0.02 0.00 -1.26 -4.93 105.19 99.26 1uks n GLY 462 Ca -0.19 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.71 -0.61 3.07 -1.78 -0.65 117.51 116.82 1uks h ILE 463 Ca 0.00 -0.48 -0.50 0.00 1.55 0.00 0.00 64.86 65.43 1uks h ILE 463 Cb 0.00 1.47 -0.34 0.00 -0.27 0.00 0.00 36.82 37.68 1uks h ILE 463 CO 0.00 0.00 -0.35 0.18 -1.05 0.00 0.00 178.15 176.93 1uks n LEU 464 N -3.05 5.30 -1.54 0.16 4.77 -1.26 -4.93 117.00 116.44 1uks n LEU 464 Ca 0.01 -4.48 -0.16 0.00 -0.03 0.00 0.00 56.01 51.34 1uks n LEU 464 Cb 0.29 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1uks n LEU 464 CO 0.27 1.83 -0.18 0.59 -1.33 0.00 0.00 177.39 178.56 1uks n ASN 465 N -0.83 -4.87 -4.84 -1.43 3.02 -0.25 -1.01 115.26 105.05 1uks n ASN 465 Ca 0.45 0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.89 1uks n ASN 465 Cb 0.90 -3.89 0.08 0.00 -0.61 0.00 0.00 39.78 36.26 1uks n ASN 465 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uks s GLY 466 N -2.54 1.62 0.37 7.41 0.00 -1.18 -4.48 107.32 108.52 1uks s GLY 466 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.46 1uks s GLY 466 CO 0.00 0.11 0.11 0.54 0.00 0.00 0.00 173.10 173.87 1uks s ASN 467 N -4.13 2.48 0.08 1.64 2.20 -1.26 -4.26 114.94 111.69 1uks s ASN 467 Ca 0.60 -1.58 -0.24 0.00 -0.94 0.00 0.00 52.86 50.70 1uks s ASN 467 Cb -0.13 0.34 -0.06 0.00 -2.00 0.00 0.00 41.25 39.40 1uks s ASN 467 CO 0.53 -0.84 0.74 -0.89 -2.94 0.00 0.00 177.10 173.70 1uks s THR 468 N -3.30 4.65 -0.13 0.54 2.01 -1.26 -3.66 115.64 114.48 1uks s THR 468 Ca 0.29 1.60 -0.07 0.00 0.31 0.00 0.00 61.69 63.82 1uks s THR 468 Cb 0.05 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1uks s THR 468 CO 0.15 0.42 0.11 -0.22 -0.69 0.00 0.00 174.62 174.39 1uks s LEU 469 N -0.42 4.17 -0.17 4.42 2.96 -0.11 -4.91 118.68 124.62 1uks s LEU 469 Ca 0.37 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 1uks s LEU 469 Cb -0.21 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1uks s LEU 469 CO 0.23 0.35 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.57 1uks s THR 470 N -0.69 2.60 -0.12 3.68 2.01 -1.26 0.47 115.64 122.33 1uks s THR 470 Ca 0.13 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1uks s THR 470 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1uks s THR 470 CO 0.03 0.51 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 1uks s VAL 471 N 0.99 3.04 0.00 3.82 1.01 0.38 -0.99 120.40 128.65 1uks s VAL 471 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1uks s VAL 471 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1uks s VAL 471 CO -0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1uks n GLY 472 N 3.37 1.74 3.77 4.51 0.00 0.07 -1.00 105.19 117.66 1uks n GLY 472 Ca -0.18 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.50 3.14 -0.07 4.61 0.00 -1.26 -2.94 121.76 122.73 1uks s ALA 473 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1uks s ALA 473 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1uks s ALA 473 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1uks n GLY 474 N 0.57 0.48 2.46 0.00 0.00 -1.26 -3.31 105.19 104.13 1uks n GLY 474 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.66 0.54 3.68 -0.02 0.00 -1.15 -4.69 105.19 100.88 1uks n GLY 475 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.31 3.53 0.17 4.61 0.00 -1.21 -0.97 121.76 125.58 1uks s ALA 476 Ca 0.00 0.36 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 1uks s ALA 476 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1uks s ALA 476 CO 0.00 -0.83 0.72 0.00 0.00 0.00 0.00 175.76 175.66 1uks s ALA 477 N 2.57 3.46 0.54 0.00 0.00 -0.20 -0.75 121.76 127.39 1uks s ALA 477 Ca 0.49 0.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 1uks s ALA 477 Cb -0.19 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1uks s ALA 477 CO 0.14 0.32 1.27 -1.12 0.00 0.00 0.00 175.76 176.37 1uks s SER 478 N -1.30 5.42 0.34 0.00 0.01 -0.16 -4.59 113.70 113.42 1uks s SER 478 Ca 0.37 2.55 -0.28 0.00 1.31 0.00 0.00 55.95 59.89 1uks s SER 478 Cb -0.20 -2.62 -0.12 0.00 0.21 0.00 0.00 66.02 63.29 1uks s SER 478 CO 0.23 -1.45 1.39 0.59 0.41 0.00 0.00 173.24 174.41 1uks n ASN 479 N -1.10 3.18 -3.97 2.44 4.13 -1.26 -4.80 115.26 113.88 1uks n ASN 479 Ca 0.11 1.20 -0.09 0.00 1.68 0.00 0.00 54.58 57.48 1uks n ASN 479 Cb 0.47 -1.53 -0.06 0.00 -1.54 0.00 0.00 39.78 37.12 1uks n ASN 479 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1uks s PHE 480 N -0.92 0.34 -0.18 3.10 -0.12 -1.03 -5.02 117.98 114.15 1uks s PHE 480 Ca 0.56 -0.69 -0.04 0.00 -0.05 0.00 0.00 56.93 56.71 1uks s PHE 480 Cb -0.54 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 1uks s PHE 480 CO 0.61 -0.92 -0.02 0.99 -0.05 0.00 0.00 175.22 175.83 1uks s THR 481 N -4.00 3.93 -0.31 -4.49 2.01 -1.26 -0.82 115.64 110.70 1uks s THR 481 Ca 0.20 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 1uks s THR 481 Cb 0.00 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1uks s THR 481 CO 0.06 0.46 0.56 -0.22 -0.69 0.00 0.00 174.62 174.78 1uks s LEU 482 N 0.72 4.18 0.80 4.42 0.20 -0.11 -4.93 118.68 123.96 1uks s LEU 482 Ca -0.01 0.29 -0.15 0.00 0.69 0.00 0.00 54.13 54.96 1uks s LEU 482 Cb -0.14 -2.69 0.01 0.00 -0.43 0.00 0.00 46.19 42.93 1uks s LEU 482 CO 0.02 -0.43 0.68 0.00 -0.29 0.00 0.00 176.35 176.33 1uks n ALA 483 N 5.75 -1.36 -1.63 5.97 0.00 -1.26 -0.80 120.51 127.18 1uks n ALA 483 Ca -0.03 -0.34 -0.49 0.00 0.00 0.00 0.00 53.44 52.57 1uks n ALA 483 Cb 0.49 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 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 -1.58 1.63 -0.94 0.00 -0.02 -1.26 -0.93 135.00 131.90 1uks n PRO 484 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1uks n PRO 484 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.96 0.19 3.74 -1.23 0.00 -0.26 -4.89 105.19 105.70 1uks n GLY 485 Ca 0.18 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 2.38 -0.04 -0.02 0.00 -0.10 -4.78 107.32 102.76 1uks s GLY 486 Ca 0.00 1.21 0.02 0.00 0.00 0.00 0.00 44.72 45.95 1uks s GLY 486 CO 0.00 2.18 -0.06 -1.59 0.00 0.00 0.00 173.10 173.62 1uks s THR 487 N 0.07 0.63 0.02 0.90 2.01 -0.18 -1.05 115.64 118.04 1uks s THR 487 Ca 0.58 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1uks s THR 487 Cb -0.39 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1uks s THR 487 CO 0.40 0.23 -0.04 0.00 -0.69 0.00 0.00 174.62 174.53 1uks s ALA 488 N 0.66 0.19 -0.04 7.40 0.00 -0.73 -3.09 121.76 126.16 1uks s ALA 488 Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1uks s ALA 488 Cb -0.13 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1uks s ALA 488 CO 0.01 -0.13 -0.01 0.08 0.00 0.00 0.00 175.76 175.71 1uks s VAL 489 N -1.37 0.29 0.01 0.00 1.01 -1.26 -1.44 120.40 117.64 1uks s VAL 489 Ca -0.14 0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1uks s VAL 489 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1uks s VAL 489 CO -0.01 0.17 -0.16 0.26 0.00 0.00 0.00 175.10 175.37 1uks s TRP 490 N 1.04 1.38 0.17 5.22 0.51 -0.13 -0.51 118.94 126.61 1uks s TRP 490 Ca -0.10 -0.31 -0.09 0.00 -2.12 0.00 0.00 56.10 53.49 1uks s TRP 490 Cb -0.14 -0.85 -0.01 0.00 -0.81 0.00 0.00 33.47 31.66 1uks s TRP 490 CO -0.01 0.01 0.28 1.14 -0.51 0.00 0.00 176.95 177.86 1uks s GLN 491 N -0.74 1.17 -0.12 4.98 -2.07 -1.26 -0.31 119.66 121.31 1uks s GLN 491 Ca 0.05 -1.20 -0.06 0.00 -1.82 0.00 0.00 55.36 52.33 1uks s GLN 491 Cb -0.07 0.37 0.06 0.00 -1.09 0.00 0.00 33.01 32.28 1uks s GLN 491 CO 0.00 -0.43 0.27 -0.47 -1.32 0.00 0.00 175.29 173.35 1uks s TYR 492 N -3.98 -0.41 0.13 9.60 5.04 0.19 -4.98 117.35 122.93 1uks s TYR 492 Ca 0.18 0.93 0.11 0.00 -2.44 0.00 0.00 57.07 55.85 1uks s TYR 492 Cb 0.03 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.35 1uks s TYR 492 CO 0.01 -0.30 -0.27 0.95 -1.34 0.00 0.00 175.55 174.61 1uks s THR 493 N 1.75 2.22 0.07 4.34 -4.23 -1.26 -0.50 115.64 118.03 1uks s THR 493 Ca -0.05 -1.74 -0.19 0.00 -1.18 0.00 0.00 61.69 58.52 1uks s THR 493 Cb -0.11 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.80 1uks s THR 493 CO -0.09 0.08 0.45 0.28 -0.54 0.00 0.00 174.62 174.80 1uks s THR 494 N -1.06 0.05 0.68 3.99 -1.32 -1.26 -4.98 115.64 111.73 1uks s THR 494 Ca 0.13 -0.40 -0.12 0.00 -1.21 0.00 0.00 61.69 60.09 1uks s THR 494 Cb -0.10 -1.01 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1uks s THR 494 CO 0.06 -0.22 1.07 -1.81 -2.21 0.00 0.00 174.62 171.50 1uks s ASP 495 N -2.22 5.32 -0.10 8.08 1.01 -1.26 -4.65 116.67 122.84 1uks s ASP 495 Ca -0.03 1.71 -0.03 0.00 0.71 0.00 0.00 52.55 54.91 1uks s ASP 495 Cb -0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1uks s ASP 495 CO -0.05 -1.48 0.04 0.00 0.21 0.00 0.00 175.17 173.88 1uks s ALA 496 N -2.86 3.43 -0.15 5.23 0.00 -1.26 -4.89 121.76 121.25 1uks s ALA 496 Ca 0.60 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 1uks s ALA 496 Cb -0.15 -1.62 -0.24 0.00 0.00 0.00 0.00 23.12 21.11 1uks s ALA 496 CO 0.50 0.57 0.36 1.79 0.00 0.00 0.00 175.76 178.98 1uks h THR 497 N 4.17 0.86 -3.24 0.00 1.35 -1.94 -3.37 112.91 110.74 1uks h THR 497 Ca -0.51 -2.29 -0.57 0.00 -0.55 0.00 0.00 66.41 62.49 1uks h THR 497 Cb 1.20 2.46 -0.04 0.00 -1.73 0.00 0.00 68.15 70.03 1uks h THR 497 CO 0.56 0.61 -0.08 -0.89 -0.25 0.00 0.00 175.52 175.47 1uks s THR 498 N -2.46 4.83 0.20 6.82 2.01 -1.26 -4.85 115.64 120.93 1uks s THR 498 Ca -0.24 0.98 -0.32 0.00 0.31 0.00 0.00 61.69 62.42 1uks s THR 498 Cb 0.06 -3.80 -0.12 0.00 0.01 0.00 0.00 72.50 68.65 1uks s THR 498 CO 0.70 0.41 1.70 -2.84 -0.69 0.00 0.00 174.62 173.91 1uks s PRO 499 N -1.50 4.14 -0.04 4.92 0.02 -1.08 -4.10 135.00 137.35 1uks s PRO 499 Ca 0.32 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.91 1uks s PRO 499 Cb -0.17 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.28 1uks s PRO 499 CO 0.18 -0.74 0.02 0.42 -0.33 0.00 0.00 177.00 176.55 1uks s ILE 500 N 1.22 0.14 -0.25 2.83 1.01 0.09 -4.24 121.20 121.99 1uks s ILE 500 Ca 0.74 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 1uks s ILE 500 Cb -0.49 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1uks s ILE 500 CO 0.32 0.17 0.62 -0.63 0.00 0.00 0.00 174.94 175.42 1uks s ILE 501 N 1.48 5.00 -0.19 2.92 1.01 -1.26 -1.88 121.20 128.28 1uks s ILE 501 Ca -0.03 1.11 0.12 0.00 0.00 0.00 0.00 60.65 61.85 1uks s ILE 501 Cb -0.13 -3.92 -0.23 0.00 0.01 0.00 0.00 42.46 38.19 1uks s ILE 501 CO -0.03 0.05 0.08 0.61 0.00 0.00 0.00 174.94 175.65 1uks n GLY 502 N 4.14 -0.82 3.45 6.18 0.00 0.91 -4.97 105.19 114.09 1uks n GLY 502 Ca -0.01 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.90 -0.60 0.00 1.61 3.84 -0.85 -4.92 114.94 108.14 1uks s ASN 503 Ca -0.16 0.25 0.01 0.00 0.21 0.00 0.00 52.86 53.17 1uks s ASN 503 Cb 0.07 0.58 -0.01 0.00 -0.55 0.00 0.00 41.25 41.34 1uks s ASN 503 CO 0.77 -0.84 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.51 1uks s VAL 504 N -2.86 0.26 -0.22 -5.21 1.01 -1.26 -1.13 120.40 110.99 1uks s VAL 504 Ca -0.03 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 1uks s VAL 504 Cb -0.01 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.17 1uks s VAL 504 CO -0.05 -0.03 0.57 -0.83 0.00 0.00 0.00 175.10 174.75 1uks s GLY 505 N -0.37 -0.44 0.89 4.51 0.00 -0.81 -4.59 107.32 106.52 1uks s GLY 505 Ca -0.02 1.67 -0.12 0.00 0.00 0.00 0.00 44.72 46.26 1uks s GLY 505 CO -0.00 1.51 1.10 2.56 0.00 0.00 0.00 173.10 178.26 1uks s PRO 506 N 0.52 1.34 -0.02 2.90 0.04 -1.26 -1.27 135.00 137.26 1uks s PRO 506 Ca -0.02 0.73 0.19 0.00 0.04 0.00 0.00 61.00 61.94 1uks s PRO 506 Cb -0.04 -1.83 0.58 0.00 0.04 0.00 0.00 34.50 33.25 1uks s PRO 506 CO -0.02 -2.16 1.49 -1.33 0.04 0.00 0.00 177.00 175.02 1uks n MET 507 N -3.81 2.90 -3.59 4.56 2.81 -1.26 -4.87 117.12 113.85 1uks n MET 507 Ca 0.07 -2.57 -0.05 0.00 -1.81 0.00 0.00 57.70 53.34 1uks n MET 507 Cb 0.56 -1.55 -0.07 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 -1.14 0.43 0.03 0.03 -2.45 -1.26 -1.05 119.30 113.89 1uks s MET 508 Ca 0.44 1.14 -0.29 0.00 -1.25 0.00 0.00 55.69 55.73 1uks s MET 508 Cb 0.24 0.48 0.10 0.00 1.25 0.00 0.00 34.83 36.89 1uks s MET 508 CO 0.28 -0.29 1.07 0.00 1.05 0.00 0.00 175.02 177.13 1uks s ALA 509 N 2.73 -1.91 0.48 4.11 0.00 -0.82 -4.82 121.76 121.52 1uks s ALA 509 Ca -0.00 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1uks s ALA 509 Cb -0.13 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1uks s ALA 509 CO -0.16 -0.92 0.76 -1.59 0.00 0.00 0.00 175.76 173.85 1uks s LYS 510 N -2.89 3.27 0.13 0.00 -2.85 -1.26 -1.19 119.74 114.94 1uks s LYS 510 Ca 0.11 -0.08 -0.35 0.00 -1.00 0.00 0.00 55.97 54.65 1uks s LYS 510 Cb 0.01 -2.43 -0.17 0.00 -2.06 0.00 0.00 37.83 33.18 1uks s LYS 510 CO -0.03 -0.30 1.14 -2.30 0.10 0.00 0.00 175.35 173.96 1uks n PRO 511 N -2.24 0.87 0.00 1.78 -0.02 -1.26 -2.45 135.00 131.68 1uks n PRO 511 Ca 0.01 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1uks n PRO 511 Cb 0.56 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.04 3.47 3.84 -1.23 0.00 0.17 -4.95 105.19 108.53 1uks n GLY 512 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1uks n GLY 512 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uks s VAL 513 N -3.00 4.56 -0.08 1.61 -7.23 -1.03 -4.61 120.40 110.62 1uks s VAL 513 Ca 0.00 1.16 -0.26 0.00 -1.81 0.00 0.00 61.98 61.07 1uks s VAL 513 Cb 0.00 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 1uks s VAL 513 CO 0.00 -0.33 0.85 -0.89 -0.31 0.00 0.00 175.10 174.42 1uks s THR 514 N -2.17 4.93 0.23 5.32 2.01 -1.26 -1.26 115.64 123.44 1uks s THR 514 Ca 0.58 1.73 0.08 0.00 0.31 0.00 0.00 61.69 64.39 1uks s THR 514 Cb -0.10 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1uks s THR 514 CO 0.18 0.14 0.05 0.27 -0.69 0.00 0.00 174.62 174.57 1uks s ILE 515 N 1.34 3.78 -0.19 1.82 -4.36 -0.19 -4.77 121.20 118.63 1uks s ILE 515 Ca 0.43 -1.64 -0.04 0.00 -0.26 0.00 0.00 60.65 59.14 1uks s ILE 515 Cb -0.18 -2.99 -0.02 0.00 1.25 0.00 0.00 42.46 40.51 1uks s ILE 515 CO 0.19 -0.29 -0.03 -0.89 0.24 0.00 0.00 174.94 174.16 1uks s THR 516 N -2.10 3.71 -0.19 8.37 2.01 -0.40 -1.86 115.64 125.18 1uks s THR 516 Ca 0.31 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1uks s THR 516 Cb -0.08 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 1uks s THR 516 CO 0.21 0.45 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.85 1uks s ILE 517 N 0.89 2.89 0.02 1.82 1.01 0.30 -1.92 121.20 126.21 1uks s ILE 517 Ca -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.04 1uks s ILE 517 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1uks s ILE 517 CO 0.01 0.48 -0.15 -1.81 0.00 0.00 0.00 174.94 173.47 1uks s ASP 518 N 1.24 3.98 0.00 3.58 -0.00 -0.29 -0.68 116.67 124.50 1uks s ASP 518 Ca 0.03 -0.35 0.00 0.00 -0.00 0.00 0.00 52.55 52.23 1uks s ASP 518 Cb -0.14 -0.73 0.00 0.00 -0.00 0.00 0.00 42.92 42.05 1uks s ASP 518 CO -0.05 0.27 0.00 0.61 -0.00 0.00 0.00 175.17 176.00 1uks n GLY 519 N 1.63 -0.79 3.13 0.21 0.00 -0.54 -0.06 105.19 108.78 1uks n GLY 519 Ca -0.16 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.76 0.67 0.00 1.61 1.81 -0.78 -4.30 118.95 117.20 1uks s ARG 520 Ca 0.00 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1uks s ARG 520 Cb 0.00 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.76 1uks s ARG 520 CO 0.00 -0.17 0.00 0.41 -0.68 0.00 0.00 175.30 174.86 1uks n GLY 521 N 0.32 0.55 0.21 -3.53 0.00 -1.15 -0.73 105.19 100.86 1uks n GLY 521 Ca -0.16 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.02 1.61 0.05 -1.74 -2.87 116.94 113.98 1uks h PHE 522 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1uks h PHE 522 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 1uks h PHE 522 CO 0.00 0.23 -0.00 0.41 -0.18 0.00 0.00 178.31 178.77 1uks n GLY 523 N 0.42 -1.75 0.14 -1.45 0.00 -1.26 -4.57 105.19 96.72 1uks n GLY 523 Ca 0.01 -1.51 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.01 0.00 -2.67 1.61 0.02 -1.91 -2.84 113.55 107.75 1uks h SER 524 Ca -0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1uks h SER 524 Cb 0.01 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1uks h SER 524 CO 0.00 0.32 -0.49 -0.83 -1.14 0.00 0.00 176.83 174.69 1uks s GLY 525 N -4.46 2.15 0.26 -3.77 0.00 -1.26 -4.72 107.32 95.52 1uks s GLY 525 Ca 0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 1uks s GLY 525 CO 0.75 -0.40 1.31 0.28 0.00 0.00 0.00 173.10 175.04 1uks n LYS 526 N 1.96 1.87 0.00 2.90 5.02 -1.26 -4.12 118.16 124.53 1uks n LYS 526 Ca -0.20 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1uks n LYS 526 Cb 0.55 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 1.74 1.81 3.07 0.72 0.00 -1.26 -4.23 105.19 107.03 1uks n GLY 527 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1uks n GLY 527 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uks s THR 528 N 3.79 0.06 -0.03 2.61 -1.32 0.09 -4.65 115.64 116.19 1uks s THR 528 Ca 0.00 -0.49 0.05 0.00 -1.21 0.00 0.00 61.69 60.04 1uks s THR 528 Cb 0.00 -0.34 -0.01 0.00 -1.51 0.00 0.00 72.50 70.64 1uks s THR 528 CO 0.00 -0.27 -0.18 0.54 -2.21 0.00 0.00 174.62 172.50 1uks s VAL 529 N -0.93 1.45 -0.13 5.08 0.11 -0.86 -0.34 120.40 124.78 1uks s VAL 529 Ca -0.10 -0.75 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 1uks s VAL 529 Cb -0.06 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1uks s VAL 529 CO 0.01 0.41 0.00 -0.31 -3.33 0.00 0.00 175.10 171.89 1uks s TYR 530 N -0.21 3.14 -0.38 1.54 2.02 -0.02 0.00 117.35 123.45 1uks s TYR 530 Ca 0.02 0.03 -0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1uks s TYR 530 Cb -0.09 -1.90 0.09 0.00 -0.40 0.00 0.00 41.96 39.66 1uks s TYR 530 CO 0.01 0.26 0.15 -0.06 -1.57 0.00 0.00 175.55 174.34 1uks s PHE 531 N -0.27 3.49 0.00 2.71 0.40 -0.12 -2.47 117.98 121.72 1uks s PHE 531 Ca 0.06 -2.20 0.00 0.00 -0.60 0.00 0.00 56.93 54.20 1uks s PHE 531 Cb -0.12 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.51 1uks s PHE 531 CO 0.02 -0.91 0.00 0.41 0.70 0.00 0.00 175.22 175.44 1uks n GLY 532 N 4.63 3.07 1.07 4.36 0.00 -0.22 -1.79 105.19 116.31 1uks n GLY 532 Ca -0.06 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.28 -2.86 2.61 -2.24 -1.26 -4.89 114.28 105.92 1uks n THR 533 Ca 0.00 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 1uks n THR 533 Cb 0.00 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.72 4.66 0.10 4.28 2.01 -0.74 -5.02 115.64 119.22 1uks s THR 534 Ca 0.34 1.14 -0.25 0.00 0.31 0.00 0.00 61.69 63.24 1uks s THR 534 Cb 0.22 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 1uks s THR 534 CO 0.31 -0.45 0.76 0.00 -0.69 0.00 0.00 174.62 174.55 1uks s ALA 535 N 3.29 3.42 -0.13 7.40 0.00 -1.26 -0.95 121.76 133.52 1uks s ALA 535 Ca 0.36 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1uks s ALA 535 Cb -0.13 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1uks s ALA 535 CO 0.17 0.19 -0.21 0.08 0.00 0.00 0.00 175.76 175.99 1uks s VAL 536 N -0.62 1.96 0.34 0.00 1.01 0.10 -4.99 120.40 118.21 1uks s VAL 536 Ca 0.37 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1uks s VAL 536 Cb -0.22 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1uks s VAL 536 CO 0.24 0.53 0.32 0.42 0.00 0.00 0.00 175.10 176.61 1uks s THR 537 N 0.85 0.00 0.00 3.92 -4.23 -1.26 -2.03 115.64 112.88 1uks s THR 537 Ca -0.07 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1uks s THR 537 Cb -0.15 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1uks s THR 537 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1uks n GLY 538 N -0.64 3.13 0.34 3.99 0.00 -1.26 -2.63 105.19 108.12 1uks n GLY 538 Ca 0.07 -0.11 0.18 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.67 1.26 -0.00 4.61 0.00 -2.02 -1.21 119.26 121.23 1uks h ALA 539 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uks h ALA 539 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uks h ALA 539 CO 0.00 -0.22 -0.10 -0.25 0.00 0.00 0.00 179.25 178.68 1uks n ASP 540 N -3.04 0.16 -4.49 0.00 10.43 -1.08 -4.42 116.55 114.11 1uks n ASP 540 Ca -0.02 0.08 -0.43 0.00 2.57 0.00 0.00 54.79 57.00 1uks n ASP 540 Cb 0.27 -0.26 -0.08 0.00 1.84 0.00 0.00 41.12 42.88 1uks n ASP 540 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1uks s ILE 541 N -2.84 5.05 0.27 0.53 1.01 -0.46 -1.11 121.20 123.65 1uks s ILE 541 Ca 0.18 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1uks s ILE 541 Cb 0.19 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1uks s ILE 541 CO 0.54 -0.43 1.62 0.58 0.00 0.00 0.00 174.94 177.25 1uks h VAL 542 N 5.74 1.39 -2.05 2.92 2.07 -1.14 -3.46 116.25 121.71 1uks h VAL 542 Ca -0.26 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.28 1uks h VAL 542 Cb 1.11 2.00 -0.20 0.00 -1.52 0.00 0.00 31.29 32.67 1uks h VAL 542 CO 0.80 0.56 0.13 0.00 0.02 0.00 0.00 177.57 179.09 1uks s ALA 543 N -3.78 -1.72 -0.16 1.67 0.00 -1.01 -4.96 121.76 111.80 1uks s ALA 543 Ca -0.03 1.66 -0.08 0.00 0.00 0.00 0.00 51.96 53.51 1uks s ALA 543 Cb 0.13 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.68 1uks s ALA 543 CO 0.77 -0.35 0.37 -0.46 0.00 0.00 0.00 175.76 176.10 1uks s TRP 544 N -0.33 -0.56 0.38 0.00 -0.11 -1.26 -1.27 118.94 115.78 1uks s TRP 544 Ca -0.05 1.20 -0.07 0.00 1.22 0.00 0.00 56.10 58.40 1uks s TRP 544 Cb -0.03 0.21 0.03 0.00 -1.50 0.00 0.00 33.47 32.18 1uks s TRP 544 CO 0.05 -0.34 0.62 -1.83 -4.62 0.00 0.00 176.95 170.83 1uks s GLU 545 N 1.61 2.12 0.49 5.86 -1.05 -0.43 -4.86 118.70 122.43 1uks s GLU 545 Ca -0.08 -1.68 0.24 0.00 -0.15 0.00 0.00 54.97 53.30 1uks s GLU 545 Cb -0.09 0.53 1.26 0.00 -0.44 0.00 0.00 34.13 35.38 1uks s GLU 545 CO -0.12 -0.94 2.01 0.22 0.95 0.00 0.00 175.26 177.38 1uks h ASP 546 N 2.04 0.00 -0.01 0.83 1.82 -1.82 -2.92 116.42 116.35 1uks h ASP 546 Ca -0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1uks h ASP 546 Cb 1.24 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1uks h ASP 546 CO 0.40 0.17 -0.09 0.35 -1.61 0.00 0.00 179.24 178.46 1uks n THR 547 N -3.72 0.00 -3.67 2.25 -2.24 -1.26 -2.39 114.28 103.25 1uks n THR 547 Ca -0.02 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 1uks n THR 547 Cb 0.28 1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.04 0.59 -0.05 -0.78 0.74 -1.10 -1.46 119.66 116.56 1uks s GLN 548 Ca 0.09 0.98 0.05 0.00 0.05 0.00 0.00 55.36 56.54 1uks s GLN 548 Cb 0.08 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 1uks s GLN 548 CO 0.17 -0.14 -0.22 0.42 -0.55 0.00 0.00 175.29 174.98 1uks s ILE 549 N 1.25 1.78 -0.13 -2.34 1.01 0.14 -1.32 121.20 121.60 1uks s ILE 549 Ca -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1uks s ILE 549 Cb -0.06 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1uks s ILE 549 CO -0.13 0.50 -0.16 -1.10 0.00 0.00 0.00 174.94 174.06 1uks s GLN 550 N -0.12 3.28 -0.01 2.79 -0.21 -0.39 -0.54 119.66 124.46 1uks s GLN 550 Ca -0.03 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 1uks s GLN 550 Cb -0.12 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.32 1uks s GLN 550 CO 0.03 0.16 0.06 0.54 -2.12 0.00 0.00 175.29 173.95 1uks s VAL 551 N 0.46 0.05 0.14 1.09 0.11 -0.78 -0.74 120.40 120.73 1uks s VAL 551 Ca -0.11 -0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 58.21 1uks s VAL 551 Cb -0.16 -0.23 -0.07 0.00 -1.53 0.00 0.00 36.38 34.39 1uks s VAL 551 CO 0.05 -0.24 0.90 -0.54 -3.33 0.00 0.00 175.10 171.94 1uks s LYS 552 N -0.75 4.68 0.14 1.54 1.02 -0.26 -1.02 119.74 125.09 1uks s LYS 552 Ca -0.08 1.36 -0.31 0.00 0.02 0.00 0.00 55.97 56.95 1uks s LYS 552 Cb -0.05 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 1uks s LYS 552 CO 0.00 0.34 1.61 0.42 -0.92 0.00 0.00 175.35 176.80 1uks s ILE 553 N -0.42 2.72 0.80 2.17 1.01 -0.39 -4.86 121.20 122.23 1uks s ILE 553 Ca 0.43 0.43 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 1uks s ILE 553 Cb -0.23 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.04 1uks s ILE 553 CO 0.29 0.02 1.09 -2.16 0.00 0.00 0.00 174.94 174.18 1uks s PRO 554 N 1.65 2.02 -1.30 2.79 0.04 -1.26 -0.65 135.00 138.29 1uks s PRO 554 Ca 0.72 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1uks s PRO 554 Cb -0.43 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1uks s PRO 554 CO 0.32 -1.77 2.11 0.00 0.04 0.00 0.00 177.00 177.70 1uks n ALA 555 N -3.59 4.78 -2.86 8.56 0.00 -1.26 -4.58 120.51 121.56 1uks n ALA 555 Ca 0.08 -3.74 -0.22 0.00 0.00 0.00 0.00 53.44 49.56 1uks n ALA 555 Cb 0.54 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.38 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 3.90 4.68 0.56 0.00 -7.23 -1.26 -5.11 120.40 115.95 1uks s VAL 556 Ca 0.50 -1.27 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 1uks s VAL 556 Cb 0.13 -3.52 -0.09 0.00 0.56 0.00 0.00 36.38 33.46 1uks s VAL 556 CO -0.02 -0.33 0.55 -2.65 -0.31 0.00 0.00 175.10 172.34 1uks n PRO 557 N -1.19 0.54 -1.89 4.82 -0.02 -1.26 -4.91 135.00 131.08 1uks n PRO 557 Ca -0.08 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1uks n PRO 557 Cb 0.57 -1.72 -0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1uks n PRO 557 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1uks s GLY 558 N -1.17 2.95 0.00 -1.23 0.00 -1.26 -4.85 107.32 101.76 1uks s GLY 558 Ca 0.69 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.87 1uks s GLY 558 CO 0.54 2.11 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1uks n GLY 559 N 0.57 -1.79 3.49 0.20 0.00 -0.67 -4.59 105.19 102.40 1uks n GLY 559 Ca 0.02 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.72 3.24 0.11 -0.61 -4.36 -1.26 -0.86 121.20 114.75 1uks s ILE 560 Ca 0.00 -0.64 0.09 0.00 -0.26 0.00 0.00 60.65 59.84 1uks s ILE 560 Cb 0.00 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 1uks s ILE 560 CO 0.00 0.58 -0.23 -0.31 0.24 0.00 0.00 174.94 175.23 1uks s TYR 561 N -0.57 1.94 0.08 1.37 1.51 0.48 -4.88 117.35 117.27 1uks s TYR 561 Ca 0.08 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.56 1uks s TYR 561 Cb -0.12 -1.05 -0.07 0.00 -0.11 0.00 0.00 41.96 40.62 1uks s TYR 561 CO 0.01 0.25 0.53 -0.51 -1.11 0.00 0.00 175.55 174.73 1uks s ASP 562 N -2.00 6.96 -0.06 2.29 1.01 -1.26 -1.33 116.67 122.27 1uks s ASP 562 Ca 0.09 1.16 0.01 0.00 0.71 0.00 0.00 52.55 54.52 1uks s ASP 562 Cb -0.10 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1uks s ASP 562 CO 0.05 0.25 -0.05 -0.63 0.21 0.00 0.00 175.17 174.99 1uks s ILE 563 N -1.19 3.83 0.02 0.77 1.01 0.32 -1.05 121.20 124.90 1uks s ILE 563 Ca 0.30 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1uks s ILE 563 Cb -0.18 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1uks s ILE 563 CO 0.18 0.56 0.18 -0.60 0.00 0.00 0.00 174.94 175.26 1uks s ARG 564 N -0.93 0.60 0.07 2.79 3.52 -1.03 -0.31 118.95 123.66 1uks s ARG 564 Ca 0.13 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.33 1uks s ARG 564 Cb -0.11 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 1uks s ARG 564 CO 0.03 -0.16 -0.25 0.08 -0.81 0.00 0.00 175.30 174.18 1uks s VAL 565 N -1.95 2.08 -0.08 7.11 1.01 -1.26 -0.84 120.40 126.46 1uks s VAL 565 Ca -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.42 1uks s VAL 565 Cb -0.04 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1uks s VAL 565 CO -0.01 0.24 -0.10 0.00 0.00 0.00 0.00 175.10 175.23 1uks s ALA 566 N -0.90 1.25 1.12 5.51 0.00 0.54 -0.07 121.76 129.22 1uks s ALA 566 Ca 0.11 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1uks s ALA 566 Cb -0.10 -0.69 0.25 0.00 0.00 0.00 0.00 23.12 22.58 1uks s ALA 566 CO 0.03 -0.10 1.16 0.54 0.00 0.00 0.00 175.76 177.39 1uks s ASN 567 N 1.09 1.65 0.64 0.00 2.20 -0.29 -0.73 114.94 119.49 1uks s ASN 567 Ca -0.07 0.57 0.40 0.00 -0.94 0.00 0.00 52.86 52.83 1uks s ASN 567 Cb -0.14 -0.80 2.17 0.00 -2.00 0.00 0.00 41.25 40.48 1uks s ASN 567 CO -0.01 -3.67 2.30 0.00 -2.94 0.00 0.00 177.10 172.78 1uks h ALA 568 N -2.27 1.10 -0.01 3.54 0.00 -1.74 -1.72 119.26 118.16 1uks h ALA 568 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1uks h ALA 568 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1uks h ALA 568 CO 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 1uks n ALA 569 N -2.13 2.61 -0.26 0.00 0.00 -1.26 -4.95 120.51 114.52 1uks n ALA 569 Ca -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1uks n ALA 569 Cb 0.11 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.18 0.65 3.70 0.00 0.00 -0.65 -5.06 105.19 105.02 1uks n GLY 570 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.47 3.36 0.06 4.61 0.00 -1.26 -4.80 121.76 121.27 1uks s ALA 571 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1uks s ALA 571 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1uks s ALA 571 CO 0.00 -0.51 0.23 0.00 0.00 0.00 0.00 175.76 175.48 1uks s ALA 572 N 1.62 3.97 0.79 0.00 0.00 -1.26 -1.14 121.76 125.73 1uks s ALA 572 Ca 0.53 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1uks s ALA 572 Cb -0.23 -1.89 0.15 0.00 0.00 0.00 0.00 23.12 21.15 1uks s ALA 572 CO 0.24 0.79 0.95 -1.13 0.00 0.00 0.00 175.76 176.61 1uks n SER 573 N 0.35 0.81 -4.73 0.00 3.41 0.90 -4.71 113.62 109.65 1uks n SER 573 Ca -0.05 -1.79 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 1uks n SER 573 Cb 0.51 -0.66 0.11 0.00 -0.26 0.00 0.00 64.21 63.92 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 -4.71 3.94 0.07 4.04 4.22 -1.26 -4.79 114.94 116.45 1uks s ASN 574 Ca 0.59 2.06 -0.27 0.00 -2.14 0.00 0.00 52.86 53.10 1uks s ASN 574 Cb -0.03 -2.55 -0.06 0.00 1.28 0.00 0.00 41.25 39.90 1uks s ASN 574 CO 0.40 -2.42 0.84 -0.63 -2.04 0.00 0.00 177.10 173.25 1uks s ILE 575 N -2.61 4.64 -0.41 0.54 1.01 -1.26 -4.61 121.20 118.51 1uks s ILE 575 Ca 0.66 1.81 -0.04 0.00 0.00 0.00 0.00 60.65 63.08 1uks s ILE 575 Cb -0.21 -4.20 0.10 0.00 0.01 0.00 0.00 42.46 38.16 1uks s ILE 575 CO 0.53 0.34 0.21 -0.47 0.00 0.00 0.00 174.94 175.55 1uks s TYR 576 N -0.02 3.52 0.90 3.97 5.04 0.58 -4.93 117.35 126.40 1uks s TYR 576 Ca 0.42 -2.23 -0.13 0.00 -2.44 0.00 0.00 57.07 52.69 1uks s TYR 576 Cb -0.22 -3.13 0.17 0.00 0.35 0.00 0.00 41.96 39.14 1uks s TYR 576 CO 0.26 -0.95 1.25 0.16 -1.34 0.00 0.00 175.55 174.92 1uks s ASP 577 N 1.89 3.53 -1.05 4.32 3.84 -1.26 -0.52 116.67 127.41 1uks s ASP 577 Ca 0.06 0.25 -0.04 0.00 -0.00 0.00 0.00 52.55 52.82 1uks s ASP 577 Cb -0.23 -0.42 0.00 0.00 -1.38 0.00 0.00 42.92 40.90 1uks s ASP 577 CO -0.03 -2.46 0.47 -3.20 -0.00 0.00 0.00 175.17 169.95 1uks n ASN 578 N -3.55 -4.75 -4.72 2.11 4.05 -1.20 -4.91 115.26 102.29 1uks n ASN 578 Ca 0.14 -0.22 -0.40 0.00 0.45 0.00 0.00 54.58 54.55 1uks n ASN 578 Cb 0.60 -3.58 -0.05 0.00 1.23 0.00 0.00 39.78 37.98 1uks n ASN 578 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1uks s PHE 579 N -3.01 3.60 -0.24 1.20 5.36 -0.44 -4.87 117.98 119.58 1uks s PHE 579 Ca 0.23 1.29 -0.07 0.00 -0.96 0.00 0.00 56.93 57.42 1uks s PHE 579 Cb -0.10 -2.81 -0.03 0.00 -0.34 0.00 0.00 43.02 39.74 1uks s PHE 579 CO 0.29 0.11 0.07 -2.00 -1.46 0.00 0.00 175.22 172.23 1uks s GLU 580 N 0.68 3.67 -0.19 10.12 2.12 -0.22 -0.39 118.70 134.49 1uks s GLU 580 Ca 0.38 -0.47 -0.18 0.00 0.36 0.00 0.00 54.97 55.06 1uks s GLU 580 Cb -0.18 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1uks s GLU 580 CO 0.19 -0.16 0.50 0.08 -0.54 0.00 0.00 175.26 175.33 1uks s VAL 581 N 1.54 5.13 0.39 3.70 1.01 -0.04 -1.95 120.40 130.18 1uks s VAL 581 Ca 0.06 0.92 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 1uks s VAL 581 Cb -0.15 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1uks s VAL 581 CO 0.04 0.21 0.79 -0.76 0.00 0.00 0.00 175.10 175.37 1uks s LEU 582 N 1.46 3.88 0.53 3.92 1.43 -0.34 -1.67 118.68 127.91 1uks s LEU 582 Ca 0.24 1.24 0.29 0.00 -1.03 0.00 0.00 54.13 54.87 1uks s LEU 582 Cb -0.15 -4.10 1.51 0.00 0.03 0.00 0.00 46.19 43.47 1uks s LEU 582 CO 0.09 -0.36 2.09 0.74 0.23 0.00 0.00 176.35 179.14 1uks h THR 583 N 1.37 0.49 0.00 5.49 2.02 -1.92 -3.40 112.91 116.96 1uks h THR 583 Ca -0.47 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1uks h THR 583 Cb 1.18 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1uks h THR 583 CO 0.64 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.24 1uks n GLY 584 N -0.67 -0.59 3.75 2.16 0.00 -1.26 -4.93 105.19 103.65 1uks n GLY 584 Ca -0.02 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 5.10 0.02 1.61 -0.00 -1.26 -4.76 116.67 113.38 1uks s ASP 585 Ca 0.00 2.27 0.04 0.00 -0.00 0.00 0.00 52.55 54.86 1uks s ASP 585 Cb 0.00 -2.58 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 1uks s ASP 585 CO 0.00 -1.65 -0.08 -1.10 -0.00 0.00 0.00 175.17 172.34 1uks s GLN 586 N -3.58 2.46 0.09 8.23 -1.52 -1.26 -0.15 119.66 123.93 1uks s GLN 586 Ca 0.74 -0.79 0.06 0.00 -1.95 0.00 0.00 55.36 53.42 1uks s GLN 586 Cb -0.27 -2.45 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 1uks s GLN 586 CO 0.36 0.58 -0.16 0.14 -0.25 0.00 0.00 175.29 175.96 1uks s VAL 587 N -1.04 1.30 -0.17 1.09 -7.23 -0.28 -4.77 120.40 109.31 1uks s VAL 587 Ca 0.18 -1.45 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 1uks s VAL 587 Cb -0.11 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 1uks s VAL 587 CO 0.09 -0.23 0.35 -0.89 -0.31 0.00 0.00 175.10 174.11 1uks s THR 588 N -1.44 5.26 -0.07 5.32 2.01 -1.26 -1.11 115.64 124.35 1uks s THR 588 Ca 0.02 0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.69 1uks s THR 588 Cb -0.09 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1uks s THR 588 CO 0.03 0.33 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.46 1uks s VAL 589 N 0.80 3.02 -0.24 3.82 1.01 -0.33 -3.56 120.40 124.93 1uks s VAL 589 Ca 0.18 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 1uks s VAL 589 Cb -0.14 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1uks s VAL 589 CO 0.06 0.57 0.62 -0.60 0.00 0.00 0.00 175.10 175.76 1uks s ARG 590 N -0.46 4.13 -0.18 2.72 6.06 0.03 -1.15 118.95 130.10 1uks s ARG 590 Ca 0.06 0.55 -0.09 0.00 -2.50 0.00 0.00 55.73 53.75 1uks s ARG 590 Cb -0.12 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.21 1uks s ARG 590 CO 0.02 -0.37 0.12 -0.06 -2.50 0.00 0.00 175.30 172.51 1uks s PHE 591 N 2.35 3.41 -0.08 5.12 0.08 -0.10 -0.40 117.98 128.35 1uks s PHE 591 Ca 0.26 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.65 1uks s PHE 591 Cb -0.16 -2.11 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1uks s PHE 591 CO 0.09 0.34 -0.12 0.08 -0.10 0.00 0.00 175.22 175.51 1uks s VAL 592 N 0.14 1.15 -0.10 -0.44 1.01 0.91 -2.05 120.40 121.02 1uks s VAL 592 Ca 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1uks s VAL 592 Cb -0.11 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1uks s VAL 592 CO -0.01 0.37 -0.16 -0.51 0.00 0.00 0.00 175.10 174.79 1uks s ILE 593 N 0.91 1.55 0.23 2.22 1.10 -0.53 -0.41 121.20 126.28 1uks s ILE 593 Ca -0.10 -0.68 0.06 0.00 -0.51 0.00 0.00 60.65 59.42 1uks s ILE 593 Cb -0.15 -1.40 -0.03 0.00 0.15 0.00 0.00 42.46 41.02 1uks s ILE 593 CO 0.01 0.45 0.26 0.20 -2.11 0.00 0.00 174.94 173.74 1uks s ASN 594 N 0.87 5.88 -1.41 4.50 0.01 0.84 -1.10 114.94 124.52 1uks s ASN 594 Ca -0.09 -0.09 -0.07 0.00 -0.71 0.00 0.00 52.86 51.91 1uks s ASN 594 Cb -0.15 -1.61 0.04 0.00 0.41 0.00 0.00 41.25 39.93 1uks s ASN 594 CO 0.00 -0.03 0.53 0.59 -1.51 0.00 0.00 177.10 176.67 1uks n ASN 595 N -1.14 -4.93 -4.41 -1.22 4.13 -1.04 -1.19 115.26 105.46 1uks n ASN 595 Ca -0.08 -0.31 -0.45 0.00 1.68 0.00 0.00 54.58 55.42 1uks n ASN 595 Cb 0.57 -4.02 -0.01 0.00 -1.54 0.00 0.00 39.78 34.77 1uks n ASN 595 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uks s ALA 596 N -3.04 3.95 0.26 5.41 0.00 0.02 -4.68 121.76 123.67 1uks s ALA 596 Ca 0.33 -3.25 -0.23 0.00 0.00 0.00 0.00 51.96 48.81 1uks s ALA 596 Cb -0.16 -3.86 -0.09 0.00 0.00 0.00 0.00 23.12 19.01 1uks s ALA 596 CO 0.41 -2.63 0.83 0.95 0.00 0.00 0.00 175.76 175.33 1uks s THR 597 N 1.10 4.37 0.18 0.00 -4.23 -1.26 -4.75 115.64 111.05 1uks s THR 597 Ca 0.32 1.60 0.07 0.00 -1.18 0.00 0.00 61.69 62.50 1uks s THR 597 Cb -0.06 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1uks s THR 597 CO -0.07 0.23 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.20 1uks s THR 598 N -1.50 1.65 0.46 3.99 2.01 -1.26 -5.09 115.64 115.90 1uks s THR 598 Ca 0.45 -2.04 -0.00 0.00 0.31 0.00 0.00 61.69 60.40 1uks s THR 598 Cb -0.19 -1.89 0.09 0.00 0.01 0.00 0.00 72.50 70.52 1uks s THR 598 CO 0.23 -0.51 0.63 0.00 -0.69 0.00 0.00 174.62 174.29 1uks n ALA 599 N -0.04 0.10 -1.62 7.40 0.00 -1.26 -4.96 120.51 120.12 1uks n ALA 599 Ca -0.11 -1.22 -0.47 0.00 0.00 0.00 0.00 53.44 51.64 1uks n ALA 599 Cb 0.59 0.20 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 1uks n ALA 599 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1uks n LEU 600 N 0.00 3.30 -2.47 0.00 -0.00 -1.26 -1.86 117.00 114.72 1uks n LEU 600 Ca 0.10 0.70 -0.18 0.00 -0.00 0.00 0.00 56.01 56.64 1uks n LEU 600 Cb 0.37 -1.42 -0.01 0.00 -0.00 0.00 0.00 43.42 42.37 1uks n LEU 600 CO 0.25 -0.26 -0.21 0.61 -0.00 0.00 0.00 177.39 177.78 1uks n GLY 601 N 5.07 -0.50 3.86 1.47 0.00 -1.26 -4.96 105.19 108.87 1uks n GLY 601 Ca 0.27 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.10 3.64 0.11 1.61 0.74 -0.77 -4.37 119.66 115.51 1uks s GLN 602 Ca 0.02 0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.54 1uks s GLN 602 Cb -0.01 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.85 1uks s GLN 602 CO 0.03 0.73 -0.08 -0.80 -0.55 0.00 0.00 175.29 174.62 1uks s ASN 603 N -1.01 1.35 0.01 6.67 0.01 -0.87 -4.58 114.94 116.52 1uks s ASN 603 Ca 0.18 -0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 51.32 1uks s ASN 603 Cb -0.14 0.05 -0.05 0.00 0.41 0.00 0.00 41.25 41.52 1uks s ASN 603 CO 0.07 -0.37 0.29 -0.69 -1.51 0.00 0.00 177.10 174.90 1uks s VAL 604 N -3.12 5.26 0.09 1.60 1.01 -1.26 -1.18 120.40 122.79 1uks s VAL 604 Ca 0.10 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1uks s VAL 604 Cb 0.02 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1uks s VAL 604 CO -0.02 0.39 -0.06 -0.36 0.00 0.00 0.00 175.10 175.05 1uks s PHE 605 N -1.28 0.82 -0.04 5.22 0.40 0.61 -1.69 117.98 122.02 1uks s PHE 605 Ca 0.27 -0.91 0.06 0.00 -0.60 0.00 0.00 56.93 55.76 1uks s PHE 605 Cb -0.14 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 1uks s PHE 605 CO 0.15 -0.18 -0.23 -1.17 0.70 0.00 0.00 175.22 174.49 1uks s LEU 606 N -2.92 2.19 0.19 -0.37 2.96 -0.29 -0.91 118.68 119.53 1uks s LEU 606 Ca 0.10 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1uks s LEU 606 Cb 0.05 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 1uks s LEU 606 CO -0.05 0.30 0.27 0.28 -1.32 0.00 0.00 176.35 175.83 1uks s THR 607 N -0.47 0.04 0.01 3.68 -1.32 -0.64 0.28 115.64 117.22 1uks s THR 607 Ca 0.06 -1.59 -0.05 0.00 -1.21 0.00 0.00 61.69 58.90 1uks s THR 607 Cb -0.11 -2.10 0.02 0.00 -1.51 0.00 0.00 72.50 68.79 1uks s THR 607 CO 0.01 -0.17 0.21 0.61 -2.21 0.00 0.00 174.62 173.07 1uks n GLY 608 N -0.26 0.77 1.16 6.08 0.00 -1.11 -1.44 105.19 110.39 1uks n GLY 608 Ca -0.04 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.44 3.31 -4.34 1.61 6.94 -0.49 -0.55 115.26 121.31 1uks n ASN 609 Ca 0.00 -2.39 -0.21 0.00 -0.02 0.00 0.00 54.58 51.96 1uks n ASN 609 Cb 0.10 -0.52 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 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 -1.85 1.82 0.45 3.53 -7.23 -1.26 -4.87 120.40 110.98 1uks s VAL 610 Ca 0.30 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.58 1uks s VAL 610 Cb 0.21 -1.90 0.24 0.00 0.56 0.00 0.00 36.38 35.48 1uks s VAL 610 CO 0.12 -0.38 2.05 0.77 -0.31 0.00 0.00 175.10 177.35 1uks h SER 611 N 3.05 0.21 0.01 4.85 4.64 -1.88 -0.22 113.55 124.22 1uks h SER 611 Ca -0.41 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1uks h SER 611 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uks h SER 611 CO 0.54 0.22 0.00 -0.33 -0.87 0.00 0.00 176.83 176.39 1uks h GLU 612 N 0.24 0.00 -0.53 4.77 3.07 -1.93 0.55 114.58 120.75 1uks h GLU 612 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1uks h GLU 612 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1uks h GLU 612 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1uks n LEU 613 N -2.90 3.47 0.00 1.33 4.32 -0.13 -4.94 117.00 118.14 1uks n LEU 613 Ca -0.03 -1.89 0.00 0.00 -0.02 0.00 0.00 56.01 54.07 1uks n LEU 613 Cb 0.07 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1uks n LEU 613 CO 0.18 0.85 0.00 0.61 -1.22 0.00 0.00 177.39 177.80 1uks n GLY 614 N 1.21 0.54 4.16 -0.72 0.00 0.18 -2.73 105.19 107.83 1uks n GLY 614 Ca 0.19 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 0.57 -1.36 0.00 1.61 5.03 -0.98 -1.32 115.26 118.80 1uks n ASN 615 Ca 0.00 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.20 1uks n ASN 615 Cb 0.00 -1.85 0.00 0.00 -1.02 0.00 0.00 39.78 36.91 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 -4.73 0.00 -2.82 3.10 7.02 0.29 -4.94 117.44 115.36 1uks n TRP 616 Ca -0.23 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.82 1uks n TRP 616 Cb 0.64 -1.49 -0.04 0.00 -2.42 0.00 0.00 31.31 28.00 1uks n TRP 616 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1uks s ASP 617 N -2.07 6.78 0.40 -0.99 3.68 -0.43 -4.90 116.67 119.13 1uks s ASP 617 Ca 0.00 0.84 0.11 0.00 2.13 0.00 0.00 52.55 55.63 1uks s ASP 617 Cb 0.00 -2.46 0.91 0.00 -1.45 0.00 0.00 42.92 39.92 1uks s ASP 617 CO 0.00 -0.71 1.94 -0.65 0.13 0.00 0.00 175.17 175.88 1uks h PRO 618 N 8.07 0.55 0.00 4.34 0.11 -1.92 0.27 132.00 143.42 1uks h PRO 618 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1uks h PRO 618 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1uks h PRO 618 CO 0.94 0.36 0.00 0.09 -0.21 0.00 0.00 178.00 179.18 1uks n ASN 619 N -4.49 0.00 -0.16 -2.05 4.13 -1.26 -2.36 115.26 109.07 1uks n ASN 619 Ca 0.13 -0.74 0.03 0.00 1.68 0.00 0.00 54.58 55.68 1uks n ASN 619 Cb 0.39 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.68 1uks n ASN 619 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1uks n ASN 620 N -0.94 1.24 -4.79 6.41 3.02 0.94 -5.09 115.26 116.05 1uks n ASN 620 Ca 0.14 -2.20 -0.34 0.00 -0.03 0.00 0.00 54.58 52.16 1uks n ASN 620 Cb 0.06 -0.20 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.20 2.70 -0.06 5.41 0.00 -0.99 -3.99 121.76 123.62 1uks s ALA 621 Ca 0.11 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 1uks s ALA 621 Cb 0.10 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1uks s ALA 621 CO 0.01 -0.80 1.21 0.42 0.00 0.00 0.00 175.76 176.60 1uks s ILE 622 N -2.18 4.23 -5.00 0.00 -1.09 0.14 -4.83 121.20 112.47 1uks s ILE 622 Ca 0.67 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 60.65 1uks s ILE 622 Cb -0.19 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1uks s ILE 622 CO 0.32 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1uks n GLY 623 N 3.39 0.99 3.76 6.18 0.00 -1.26 -1.14 105.19 117.10 1uks n GLY 623 Ca 0.11 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1uks n GLY 623 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uks s PRO 624 N -2.00 3.42 0.87 1.61 0.04 -1.26 -5.08 135.00 132.61 1uks s PRO 624 Ca 0.00 2.15 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1uks s PRO 624 Cb 0.00 -2.39 0.12 0.00 0.04 0.00 0.00 34.50 32.27 1uks s PRO 624 CO 0.00 -0.94 1.10 -1.64 0.04 0.00 0.00 177.00 175.57 1uks s MET 625 N -2.74 1.45 0.33 4.56 -1.94 -0.68 -5.03 119.30 115.24 1uks s MET 625 Ca 0.67 0.61 -0.00 0.00 -1.71 0.00 0.00 55.69 55.25 1uks s MET 625 Cb -0.38 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 34.58 1uks s MET 625 CO 0.46 -2.06 0.54 0.71 -0.01 0.00 0.00 175.02 174.66 1uks s TYR 626 N -3.09 3.50 0.00 -0.03 2.02 0.06 -4.86 117.35 114.95 1uks s TYR 626 Ca 0.63 0.38 0.02 0.00 -0.37 0.00 0.00 57.07 57.73 1uks s TYR 626 Cb -0.16 -1.92 0.03 0.00 -0.40 0.00 0.00 41.96 39.51 1uks s TYR 626 CO 0.55 0.14 0.75 0.27 -1.57 0.00 0.00 175.55 175.69 1uks n ASN 627 N -1.61 -0.23 -0.02 2.29 0.23 -1.26 -0.55 115.26 114.12 1uks n ASN 627 Ca -0.04 -1.47 -0.05 0.00 -0.53 0.00 0.00 54.58 52.48 1uks n ASN 627 Cb 0.56 0.04 -0.02 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.03 0.27 -0.02 -3.83 6.02 -1.06 -1.04 117.38 117.76 1uks n GLN 628 Ca -0.08 0.11 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1uks n GLN 628 Cb 0.62 -0.97 -0.00 0.00 1.02 0.00 0.00 30.24 30.92 1uks n GLN 628 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1uks h VAL 629 N -0.50 0.00 -0.15 5.09 2.07 -1.95 -3.39 116.25 117.42 1uks h VAL 629 Ca -0.01 -0.29 -0.20 0.00 0.82 0.00 0.00 66.70 67.02 1uks h VAL 629 Cb 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1uks h VAL 629 CO -0.01 0.00 -0.70 0.58 0.02 0.00 0.00 177.57 177.47 1uks h VAL 630 N -0.29 1.31 -3.77 2.57 2.07 -1.97 -3.44 116.25 112.74 1uks h VAL 630 Ca 0.00 -1.96 -0.26 0.00 0.82 0.00 0.00 66.70 65.30 1uks h VAL 630 Cb 0.05 1.94 -0.16 0.00 -1.52 0.00 0.00 31.29 31.60 1uks h VAL 630 CO 0.00 0.61 -0.71 -0.31 0.02 0.00 0.00 177.57 177.18 1uks s TYR 631 N -3.80 0.94 0.06 1.57 2.02 -1.26 -5.15 117.35 111.73 1uks s TYR 631 Ca -0.08 -0.78 0.10 0.00 -0.37 0.00 0.00 57.07 55.93 1uks s TYR 631 Cb 0.10 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 41.10 1uks s TYR 631 CO 0.87 -0.08 -0.27 -0.65 -1.57 0.00 0.00 175.55 173.86 1uks s GLN 632 N -3.29 1.72 0.14 -0.62 1.11 -1.26 -2.55 119.66 114.91 1uks s GLN 632 Ca 0.08 -1.16 -0.33 0.00 0.01 0.00 0.00 55.36 53.96 1uks s GLN 632 Cb 0.01 -1.96 -0.17 0.00 -1.01 0.00 0.00 33.01 29.88 1uks s GLN 632 CO -0.02 0.50 0.92 0.98 0.01 0.00 0.00 175.29 177.68 1uks n TYR 633 N 1.59 0.54 1.44 0.91 9.36 -0.20 -1.64 117.16 129.17 1uks n TYR 633 Ca -0.17 0.88 0.01 0.00 3.32 0.00 0.00 57.90 61.93 1uks n TYR 633 Cb 0.52 -2.12 0.03 0.00 -0.63 0.00 0.00 39.34 37.14 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 1.38 1.20 -3.21 2.98 -0.04 -1.26 -5.07 135.00 130.98 1uks n PRO 634 Ca 0.17 -0.22 -0.39 0.00 -0.04 0.00 0.00 63.50 63.02 1uks n PRO 634 Cb 0.21 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.62 4.80 0.09 0.52 2.01 -0.65 -0.80 115.64 120.00 1uks s THR 635 Ca 0.04 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1uks s THR 635 Cb 0.02 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1uks s THR 635 CO 0.02 0.47 -0.22 0.26 -0.69 0.00 0.00 174.62 174.46 1uks s TRP 636 N -0.58 1.89 0.06 4.92 0.52 -0.26 -4.20 118.94 121.29 1uks s TRP 636 Ca 0.31 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 56.00 1uks s TRP 636 Cb -0.19 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1uks s TRP 636 CO 0.19 0.20 0.03 1.52 0.02 0.00 0.00 176.95 178.90 1uks s TYR 637 N -1.06 0.41 -0.16 -1.98 1.13 0.29 -1.45 117.35 114.52 1uks s TYR 637 Ca 0.08 -0.90 -0.28 0.00 -1.41 0.00 0.00 57.07 54.56 1uks s TYR 637 Cb -0.10 -0.29 0.08 0.00 -1.10 0.00 0.00 41.96 40.55 1uks s TYR 637 CO 0.04 -0.41 0.74 -0.47 -2.51 0.00 0.00 175.55 172.94 1uks s TYR 638 N -3.72 -0.68 -0.30 -3.49 6.14 -0.87 -0.76 117.35 113.67 1uks s TYR 638 Ca 0.05 1.43 -0.11 0.00 0.64 0.00 0.00 57.07 59.08 1uks s TYR 638 Cb 0.06 0.35 -0.03 0.00 0.42 0.00 0.00 41.96 42.76 1uks s TYR 638 CO -0.10 -0.47 0.18 -0.51 0.64 0.00 0.00 175.55 175.30 1uks s ASP 639 N -0.44 5.83 -0.04 4.32 -0.00 -1.26 -0.93 116.67 124.15 1uks s ASP 639 Ca -0.05 -0.24 0.05 0.00 -0.00 0.00 0.00 52.55 52.31 1uks s ASP 639 Cb -0.02 -2.08 -0.01 0.00 -0.00 0.00 0.00 42.92 40.81 1uks s ASP 639 CO 0.05 -0.12 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.21 1uks s VAL 640 N 1.70 1.55 0.00 -1.27 1.01 -0.30 -3.43 120.40 119.67 1uks s VAL 640 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1uks s VAL 640 Cb -0.16 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1uks s VAL 640 CO 0.09 0.44 1.11 -0.55 0.00 0.00 0.00 175.10 176.19 1uks s SER 641 N -0.08 7.18 0.04 3.32 0.15 -1.24 -1.18 113.70 121.89 1uks s SER 641 Ca -0.02 1.82 -0.03 0.00 0.70 0.00 0.00 55.95 58.42 1uks s SER 641 Cb -0.11 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1uks s SER 641 CO 0.02 -0.42 0.03 0.54 1.20 0.00 0.00 173.24 174.61 1uks s VAL 642 N 1.36 0.16 0.27 4.45 0.11 -0.27 -4.84 120.40 121.63 1uks s VAL 642 Ca 0.55 -1.32 -0.30 0.00 -2.93 0.00 0.00 61.98 57.98 1uks s VAL 642 Cb -0.25 -1.03 -0.10 0.00 -1.53 0.00 0.00 36.38 33.48 1uks s VAL 642 CO 0.26 -0.73 1.35 -2.16 -3.33 0.00 0.00 175.10 170.49 1uks s PRO 643 N -2.94 4.34 0.30 1.54 0.04 -1.26 -1.13 135.00 135.89 1uks s PRO 643 Ca -0.02 2.19 -0.25 0.00 0.04 0.00 0.00 61.00 62.96 1uks s PRO 643 Cb 0.01 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 1uks s PRO 643 CO -0.06 -0.28 0.90 0.00 0.04 0.00 0.00 177.00 177.60 1uks s ALA 644 N -0.40 3.25 -0.64 8.56 0.00 0.79 -4.26 121.76 129.07 1uks s ALA 644 Ca 0.55 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1uks s ALA 644 Cb -0.39 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1uks s ALA 644 CO 0.45 0.21 0.13 0.41 0.00 0.00 0.00 175.76 176.96 1uks n GLY 645 N 0.64 0.14 3.33 0.00 0.00 -0.78 -4.82 105.19 103.70 1uks n GLY 645 Ca 0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.72 1.10 -0.18 1.61 -2.07 -1.24 -4.86 119.66 109.30 1uks s GLN 646 Ca 0.07 -0.92 -0.24 0.00 -1.82 0.00 0.00 55.36 52.44 1uks s GLN 646 Cb -0.03 0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 1uks s GLN 646 CO 0.08 -0.41 0.80 0.99 -1.32 0.00 0.00 175.29 175.42 1uks s THR 647 N -3.87 4.90 0.14 3.63 2.01 -1.26 -0.64 115.64 120.55 1uks s THR 647 Ca 0.08 1.55 0.06 0.00 0.31 0.00 0.00 61.69 63.69 1uks s THR 647 Cb 0.02 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1uks s THR 647 CO -0.07 0.04 0.02 0.27 -0.69 0.00 0.00 174.62 174.19 1uks s ILE 648 N 2.11 3.94 -0.01 1.82 -4.36 0.22 -4.93 121.20 119.98 1uks s ILE 648 Ca 0.36 -1.20 0.06 0.00 -0.26 0.00 0.00 60.65 59.62 1uks s ILE 648 Cb -0.16 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.58 1uks s ILE 648 CO 0.12 -0.01 -0.20 -1.61 0.24 0.00 0.00 174.94 173.48 1uks s GLU 649 N -2.69 2.23 0.16 0.37 2.02 -1.25 -1.91 118.70 117.62 1uks s GLU 649 Ca 0.27 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 1uks s GLU 649 Cb -0.10 -2.20 0.03 0.00 0.10 0.00 0.00 34.13 31.96 1uks s GLU 649 CO 0.19 0.58 0.47 -0.59 0.02 0.00 0.00 175.26 175.93 1uks s PHE 650 N -0.74 -0.19 0.10 1.61 -0.12 0.42 -1.40 117.98 117.67 1uks s PHE 650 Ca 0.12 -0.13 -0.08 0.00 -0.05 0.00 0.00 56.93 56.78 1uks s PHE 650 Cb -0.10 0.34 -0.00 0.00 -0.63 0.00 0.00 43.02 42.62 1uks s PHE 650 CO 0.01 -0.81 0.19 0.15 -0.05 0.00 0.00 175.22 174.71 1uks s LYS 651 N -3.83 0.87 0.20 1.99 1.02 -0.52 -0.86 119.74 118.61 1uks s LYS 651 Ca 0.06 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.10 1uks s LYS 651 Cb 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1uks s LYS 651 CO -0.08 -0.28 0.18 -0.06 -0.92 0.00 0.00 175.35 174.19 1uks s PHE 652 N -3.88 3.16 0.05 3.18 0.08 -1.26 -1.62 117.98 117.69 1uks s PHE 652 Ca 0.07 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.96 1uks s PHE 652 Cb 0.05 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1uks s PHE 652 CO -0.10 0.52 0.24 -0.48 -0.10 0.00 0.00 175.22 175.30 1uks s LEU 653 N -3.46 1.18 -0.06 -0.37 2.34 -0.08 -2.50 118.68 115.72 1uks s LEU 653 Ca 0.32 -0.37 0.02 0.00 0.06 0.00 0.00 54.13 54.16 1uks s LEU 653 Cb -0.09 1.14 -0.03 0.00 -0.56 0.00 0.00 46.19 46.65 1uks s LEU 653 CO 0.24 -0.63 -0.10 -0.54 -1.06 0.00 0.00 176.35 174.27 1uks s LYS 654 N -2.89 2.68 -0.19 1.48 1.02 0.42 -0.28 119.74 121.98 1uks s LYS 654 Ca -0.03 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.36 1uks s LYS 654 Cb 0.00 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1uks s LYS 654 CO -0.06 0.63 -0.18 0.15 -0.92 0.00 0.00 175.35 174.97 1uks s LYS 655 N -0.73 2.84 -0.80 1.68 1.02 -0.32 -0.41 119.74 123.02 1uks s LYS 655 Ca 0.11 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 1uks s LYS 655 Cb -0.11 -2.56 0.21 0.00 -0.52 0.00 0.00 37.83 34.85 1uks s LYS 655 CO 0.01 -0.25 0.72 -0.65 -0.92 0.00 0.00 175.35 174.26 1uks s GLN 656 N 1.29 3.42 3.43 1.68 1.11 0.71 -2.05 119.66 129.25 1uks s GLN 656 Ca 0.03 -2.54 0.00 0.00 0.01 0.00 0.00 55.36 52.87 1uks s GLN 656 Cb -0.14 -4.28 0.00 0.00 -1.01 0.00 0.00 33.01 27.58 1uks s GLN 656 CO -0.12 -1.26 0.00 0.41 0.01 0.00 0.00 175.29 174.33 1uks n GLY 657 N 3.76 0.28 0.09 3.09 0.00 -1.26 -1.02 105.19 110.13 1uks n GLY 657 Ca 0.13 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.81 1uks n GLY 657 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uks h SER 658 N 0.00 0.00 -3.35 1.61 4.64 -1.99 -3.45 113.55 111.00 1uks h SER 658 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1uks h SER 658 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1uks h SER 658 CO 0.00 0.65 0.23 -0.89 -0.87 0.00 0.00 176.83 175.95 1uks s THR 659 N -2.87 4.97 -0.16 2.95 2.01 -0.19 -5.01 115.64 117.33 1uks s THR 659 Ca -0.02 1.51 -0.03 0.00 0.31 0.00 0.00 61.69 63.46 1uks s THR 659 Cb 0.08 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1uks s THR 659 CO 0.81 0.14 -0.05 0.54 -0.69 0.00 0.00 174.62 175.36 1uks s VAL 660 N 1.51 3.66 -0.24 3.82 0.11 -1.26 -0.21 120.40 127.79 1uks s VAL 660 Ca 0.37 -0.43 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1uks s VAL 660 Cb -0.17 -2.60 0.02 0.00 -1.53 0.00 0.00 36.38 32.09 1uks s VAL 660 CO 0.15 0.49 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.47 1uks s THR 661 N 0.53 3.02 0.36 5.04 2.01 0.45 -4.96 115.64 122.08 1uks s THR 661 Ca -0.04 -0.89 -0.10 0.00 0.31 0.00 0.00 61.69 60.96 1uks s THR 661 Cb -0.15 -2.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.81 1uks s THR 661 CO 0.03 0.25 0.71 0.26 -0.69 0.00 0.00 174.62 175.18 1uks s TRP 662 N 1.37 3.45 0.43 4.92 0.52 -1.26 -0.44 118.94 127.93 1uks s TRP 662 Ca 0.02 1.00 -0.24 0.00 0.02 0.00 0.00 56.10 56.90 1uks s TRP 662 Cb -0.16 -2.39 -0.08 0.00 -1.15 0.00 0.00 33.47 29.69 1uks s TRP 662 CO -0.04 0.01 1.13 -2.00 0.02 0.00 0.00 176.95 176.07 1uks s GLU 663 N -3.55 3.92 0.91 4.98 2.12 -1.04 -4.94 118.70 121.10 1uks s GLU 663 Ca 0.50 1.71 -0.12 0.00 0.36 0.00 0.00 54.97 57.42 1uks s GLU 663 Cb -0.10 -2.49 0.19 0.00 0.26 0.00 0.00 34.13 31.99 1uks s GLU 663 CO 0.28 -0.40 1.25 0.20 -0.54 0.00 0.00 175.26 176.05 1uks s GLY 664 N -1.38 1.78 0.00 -1.50 0.00 0.38 -4.98 107.32 101.61 1uks s GLY 664 Ca 0.61 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1uks s GLY 664 CO 0.33 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1uks n GLY 665 N -3.56 -2.19 3.90 0.20 0.00 -1.26 -4.73 105.19 97.55 1uks n GLY 665 Ca 0.15 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.39 3.19 0.50 4.61 0.00 -1.26 -5.04 121.76 122.38 1uks s ALA 666 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.31 1uks s ALA 666 Cb 0.00 -2.81 -0.06 0.00 0.00 0.00 0.00 23.12 20.25 1uks s ALA 666 CO 0.00 -0.73 1.27 -0.80 0.00 0.00 0.00 175.76 175.49 1uks s ASN 667 N -4.24 5.73 0.28 0.00 0.01 -1.26 -5.00 114.94 110.47 1uks s ASN 667 Ca 0.53 2.55 -0.16 0.00 -0.71 0.00 0.00 52.86 55.08 1uks s ASN 667 Cb -0.11 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.85 1uks s ASN 667 CO 0.49 -1.24 0.71 -0.13 -1.51 0.00 0.00 177.10 175.42 1uks s ARG 668 N -2.78 4.05 0.01 -0.60 0.52 -0.04 -4.85 118.95 115.25 1uks s ARG 668 Ca 0.67 0.68 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 1uks s ARG 668 Cb -0.35 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.53 1uks s ARG 668 CO 0.42 0.24 -0.21 0.99 0.02 0.00 0.00 175.30 176.75 1uks s THR 669 N -1.84 1.67 -0.21 0.02 2.01 -1.26 -0.43 115.64 115.60 1uks s THR 669 Ca 0.50 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 1uks s THR 669 Cb -0.12 -1.41 0.06 0.00 0.01 0.00 0.00 72.50 71.04 1uks s THR 669 CO 0.19 0.38 0.54 0.12 -0.69 0.00 0.00 174.62 175.15 1uks s PHE 670 N -0.60 -0.68 -0.35 4.92 5.36 -0.80 -4.97 117.98 120.86 1uks s PHE 670 Ca 0.08 1.54 -0.15 0.00 -0.96 0.00 0.00 56.93 57.44 1uks s PHE 670 Cb -0.08 0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.88 1uks s PHE 670 CO 0.00 -0.34 0.34 0.99 -1.46 0.00 0.00 175.22 174.75 1uks s THR 671 N 0.76 5.19 0.59 0.12 2.01 -1.26 -0.61 115.64 122.44 1uks s THR 671 Ca -0.04 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.75 1uks s THR 671 Cb -0.05 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1uks s THR 671 CO -0.06 -0.09 1.13 0.42 -0.69 0.00 0.00 174.62 175.33 1uks s THR 672 N 1.95 3.12 0.75 -0.82 -4.23 0.19 -4.86 115.64 111.74 1uks s THR 672 Ca 0.10 0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 61.12 1uks s THR 672 Cb -0.17 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.53 1uks s THR 672 CO 0.11 -0.22 1.12 -2.16 -0.54 0.00 0.00 174.62 172.94 1uks s PRO 673 N -3.59 2.22 0.40 3.99 0.04 -1.26 -2.71 135.00 134.08 1uks s PRO 673 Ca 0.71 1.37 0.21 0.00 0.04 0.00 0.00 61.00 63.34 1uks s PRO 673 Cb -0.23 -1.88 0.34 0.00 0.04 0.00 0.00 34.50 32.76 1uks s PRO 673 CO 0.33 -1.70 1.59 1.79 0.04 0.00 0.00 177.00 179.05 1uks h THR 674 N -0.78 0.26 -3.05 1.26 1.35 -1.94 -2.07 112.91 107.94 1uks h THR 674 Ca -0.45 -1.32 0.01 0.00 -0.55 0.00 0.00 66.41 64.10 1uks h THR 674 Cb 1.25 2.09 -0.09 0.00 -1.73 0.00 0.00 68.15 69.66 1uks h THR 674 CO 0.50 0.14 0.19 -0.94 -0.25 0.00 0.00 175.52 175.17 1uks s SER 675 N -6.25 -0.41 0.00 5.36 1.04 -1.26 -4.75 113.70 107.42 1uks s SER 675 Ca 0.06 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1uks s SER 675 Cb 0.06 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1uks s SER 675 CO 0.68 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1uks n GLY 676 N -0.40 -1.65 3.60 7.32 0.00 -1.26 -4.96 105.19 107.83 1uks n GLY 676 Ca -0.12 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 2.02 0.15 2.61 2.01 -1.26 -4.16 115.64 117.02 1uks s THR 677 Ca 0.00 -2.04 -0.18 0.00 0.31 0.00 0.00 61.69 59.79 1uks s THR 677 Cb 0.00 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.62 1uks s THR 677 CO 0.00 -0.04 0.47 0.00 -0.69 0.00 0.00 174.62 174.37 1uks s ALA 678 N -2.70 -1.05 -0.03 7.40 0.00 -1.23 -4.88 121.76 119.26 1uks s ALA 678 Ca 0.35 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1uks s ALA 678 Cb 0.09 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 1uks s ALA 678 CO 0.18 -0.71 -0.18 0.99 0.00 0.00 0.00 175.76 176.03 1uks s THR 679 N -3.82 1.45 -0.21 0.00 2.01 -1.26 -0.79 115.64 113.02 1uks s THR 679 Ca 0.05 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 1uks s THR 679 Cb 0.01 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 1uks s THR 679 CO -0.09 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.48 1uks s VAL 680 N -0.16 3.04 -0.14 3.82 1.01 0.46 -4.94 120.40 123.49 1uks s VAL 680 Ca 0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1uks s VAL 680 Cb -0.10 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1uks s VAL 680 CO 0.01 0.46 -0.19 0.21 0.00 0.00 0.00 175.10 175.58 1uks s ASN 681 N 1.38 2.92 0.10 3.32 3.84 -1.26 -0.06 114.94 125.18 1uks s ASN 681 Ca 0.05 -0.56 -0.08 0.00 0.21 0.00 0.00 52.86 52.48 1uks s ASN 681 Cb -0.14 -1.34 -0.01 0.00 -0.55 0.00 0.00 41.25 39.21 1uks s ASN 681 CO -0.05 0.04 0.18 0.54 -2.79 0.00 0.00 177.10 175.01 1uks s VAL 682 N 1.01 0.14 -0.04 -5.21 0.11 0.45 -4.97 120.40 111.89 1uks s VAL 682 Ca -0.03 -1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 57.69 1uks s VAL 682 Cb -0.15 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1uks s VAL 682 CO -0.05 -0.61 0.05 0.20 -3.33 0.00 0.00 175.10 171.35 1uks s ASN 683 N -2.89 5.50 0.23 3.54 -0.87 -1.26 -0.11 114.94 119.06 1uks s ASN 683 Ca 0.08 0.15 -0.31 0.00 -1.57 0.00 0.00 52.86 51.21 1uks s ASN 683 Cb 0.05 -1.56 -0.11 0.00 -0.02 0.00 0.00 41.25 39.61 1uks s ASN 683 CO -0.08 0.32 1.57 0.86 -2.57 0.00 0.00 177.10 177.20 1uks s TRP 684 N -1.06 2.93 -0.36 2.20 -0.11 -0.33 -4.85 118.94 117.36 1uks s TRP 684 Ca 0.18 0.72 -0.11 0.00 1.22 0.00 0.00 56.10 58.11 1uks s TRP 684 Cb -0.12 -3.98 0.02 0.00 -1.50 0.00 0.00 33.47 27.89 1uks s TRP 684 CO 0.09 -3.44 0.20 -0.65 -4.62 0.00 0.00 176.95 168.53 1uks s GLN 685 N 0.29 2.98 0.00 5.86 -1.52 -1.26 -5.02 119.66 120.99 1uks s GLN 685 Ca 0.66 -0.97 0.09 0.00 -1.95 0.00 0.00 55.36 53.18 1uks s GLN 685 Cb -0.46 -3.72 0.51 0.00 -0.22 0.00 0.00 33.01 29.13 1uks s GLN 685 CO 0.39 -0.63 0.96 -2.30 -0.25 0.00 0.00 175.29 173.46