#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smk s PHE 45 N 0.00 3.19 -0.35 1.61 0.40 0.14 -4.48 117.98 118.49 1smk s PHE 45 Ca 0.00 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 1smk s PHE 45 Cb 0.00 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1smk s PHE 45 CO 0.00 0.01 0.21 0.15 0.70 0.00 0.00 175.22 176.29 1smk s LYS 46 N -4.21 3.20 -0.11 0.44 1.02 -1.26 -1.16 119.74 117.66 1smk s LYS 46 Ca 0.44 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 1smk s LYS 46 Cb -0.10 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 1smk s LYS 46 CO 0.32 -0.55 -0.05 0.08 -0.92 0.00 0.00 175.35 174.23 1smk s VAL 47 N 1.64 3.83 -0.09 3.17 1.01 0.10 -0.31 120.40 129.75 1smk s VAL 47 Ca 0.04 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1smk s VAL 47 Cb -0.18 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1smk s VAL 47 CO 0.08 0.55 -0.18 0.00 0.00 0.00 0.00 175.10 175.56 1smk s ALA 48 N -0.25 2.46 -0.30 5.51 0.00 0.22 -0.37 121.76 129.03 1smk s ALA 48 Ca 0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1smk s ALA 48 Cb -0.13 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.06 1smk s ALA 48 CO 0.02 0.36 0.01 0.42 0.00 0.00 0.00 175.76 176.57 1smk s ILE 49 N 0.01 3.05 -0.54 0.00 1.01 0.66 -0.14 121.20 125.25 1smk s ILE 49 Ca -0.06 -1.35 -0.21 0.00 0.00 0.00 0.00 60.65 59.03 1smk s ILE 49 Cb -0.15 -2.75 0.06 0.00 0.01 0.00 0.00 42.46 39.63 1smk s ILE 49 CO 0.05 -0.10 0.77 -0.76 0.00 0.00 0.00 174.94 174.89 1smk s LEU 50 N 1.27 4.65 0.00 2.97 1.43 0.20 -1.41 118.68 127.79 1smk s LEU 50 Ca -0.05 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1smk s LEU 50 Cb -0.20 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1smk s LEU 50 CO -0.01 -1.08 0.00 0.61 0.23 0.00 0.00 176.35 176.11 1smk n GLY 51 N 5.18 1.88 0.30 -3.19 0.00 0.75 -1.42 105.19 108.68 1smk n GLY 51 Ca -0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.18 1smk n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk h ALA 52 N 0.00 1.00 -0.31 4.61 0.00 -1.37 -2.49 119.26 120.70 1smk h ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1smk h ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1smk h ALA 52 CO 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1smk n ALA 53 N -2.01 2.47 -1.98 0.00 0.00 -1.26 -0.52 120.51 117.21 1smk n ALA 53 Ca -0.03 -0.75 -0.25 0.00 0.00 0.00 0.00 53.44 52.42 1smk n ALA 53 Cb 0.06 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 18.64 1smk n ALA 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1smk s GLY 54 N -1.41 1.76 0.25 0.00 0.00 -0.94 -4.70 107.32 102.28 1smk s GLY 54 Ca 0.34 -1.63 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 1smk s GLY 54 CO 0.27 -1.02 1.77 -1.33 0.00 0.00 0.00 173.10 172.79 1smk h GLY 55 N -0.74 1.25 0.97 0.20 0.00 -1.92 -0.49 103.07 102.34 1smk h GLY 55 Ca -0.38 -0.24 -0.32 0.00 0.00 0.00 0.00 47.33 46.39 1smk h GLY 55 CO 0.40 0.00 -1.52 -2.22 0.00 0.00 0.00 176.54 173.20 1smk h ILE 56 N 0.61 1.13 -0.22 2.60 2.04 -1.89 -3.38 117.51 118.40 1smk h ILE 56 Ca 0.42 -2.57 0.06 0.00 1.00 0.00 0.00 64.86 63.77 1smk h ILE 56 Cb 0.54 2.91 -0.06 0.00 -0.74 0.00 0.00 36.82 39.46 1smk h ILE 56 CO -0.33 0.81 -0.20 1.23 0.00 0.00 0.00 178.15 179.66 1smk h GLY 57 N 0.29 -0.09 0.96 5.37 0.00 -1.51 -0.61 103.07 107.47 1smk h GLY 57 Ca -0.29 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1smk h GLY 57 CO 0.20 -0.18 -0.30 1.46 0.00 0.00 0.00 176.54 177.71 1smk h GLN 58 N -0.21 -0.77 0.00 4.80 4.20 0.84 0.64 115.11 124.61 1smk h GLN 58 Ca 0.13 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1smk h GLN 58 Cb 0.41 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1smk h GLN 58 CO -0.35 -0.52 -0.14 -1.00 -0.67 0.00 0.00 178.83 176.15 1smk h PRO 59 N -0.80 0.00 -0.10 1.46 0.13 -1.72 -0.71 132.00 130.26 1smk h PRO 59 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1smk h PRO 59 Cb 0.63 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1smk h PRO 59 CO 0.11 0.14 -0.06 1.25 -0.23 0.00 0.00 178.00 179.21 1smk h LEU 60 N 0.00 0.24 -0.52 1.56 5.85 -0.63 -2.30 115.31 119.50 1smk h LEU 60 Ca -0.00 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1smk h LEU 60 Cb 0.29 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1smk h LEU 60 CO 0.02 0.62 0.24 0.00 -0.34 0.00 0.00 178.44 178.98 1smk h ALA 61 N 0.63 0.67 -0.87 1.25 0.00 0.94 -0.73 119.26 121.13 1smk h ALA 61 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1smk h ALA 61 Cb 0.53 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1smk h ALA 61 CO 0.02 -0.13 0.55 1.98 0.00 0.00 0.00 179.25 181.67 1smk h MET 62 N 0.46 0.99 -0.13 0.00 1.85 -1.07 -0.62 114.93 116.42 1smk h MET 62 Ca 0.24 -0.06 -0.14 0.00 -0.61 0.00 0.00 59.70 59.14 1smk h MET 62 Cb 0.20 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 1smk h MET 62 CO -0.20 0.66 -0.51 -0.07 -0.40 0.00 0.00 176.91 176.39 1smk h LEU 63 N 1.02 0.38 -0.52 3.39 3.38 -0.77 -2.88 115.31 119.31 1smk h LEU 63 Ca 0.37 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 1smk h LEU 63 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1smk h LEU 63 CO -0.16 0.83 -0.57 0.24 0.09 0.00 0.00 178.44 178.87 1smk h MET 64 N 0.27 0.52 0.00 1.13 2.86 -0.48 -2.18 114.93 117.06 1smk h MET 64 Ca 0.01 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1smk h MET 64 Cb 0.99 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1smk h MET 64 CO 0.09 0.95 -0.02 -0.22 1.06 0.00 0.00 176.91 178.76 1smk h LYS 65 N 0.40 0.00 0.00 1.72 1.63 -1.01 -0.33 116.57 118.98 1smk h LYS 65 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1smk h LYS 65 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1smk h LYS 65 CO 0.10 0.02 -0.59 -1.33 -3.45 0.00 0.00 179.45 174.20 1smk n MET 66 N -3.30 0.19 -2.48 1.90 2.81 -0.84 -4.30 117.12 111.10 1smk n MET 66 Ca -0.02 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 1smk n MET 66 Cb 0.15 -1.61 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 1smk n MET 66 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1smk s ASN 67 N -3.77 6.71 0.43 7.83 3.84 -0.14 -4.89 114.94 124.96 1smk s ASN 67 Ca 0.08 1.11 0.30 0.00 0.21 0.00 0.00 52.86 54.56 1smk s ASN 67 Cb 0.15 -2.54 1.51 0.00 -0.55 0.00 0.00 41.25 39.82 1smk s ASN 67 CO 0.71 -1.06 1.91 1.55 -2.79 0.00 0.00 177.10 177.42 1smk h PRO 68 N 9.07 0.00 -0.00 0.43 0.13 -1.88 0.47 132.00 140.22 1smk h PRO 68 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1smk h PRO 68 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1smk h PRO 68 CO 1.04 0.00 -0.10 1.28 -0.23 0.00 0.00 178.00 180.00 1smk n LEU 69 N -2.58 0.15 -4.60 1.56 4.77 -1.26 -4.71 117.00 110.32 1smk n LEU 69 Ca -0.01 0.30 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 1smk n LEU 69 Cb 0.11 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 1smk n LEU 69 CO 0.16 0.03 0.06 -0.69 -1.33 0.00 0.00 177.39 175.63 1smk s VAL 70 N -2.84 5.18 -0.23 4.08 1.01 0.15 0.29 120.40 128.04 1smk s VAL 70 Ca 0.19 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 1smk s VAL 70 Cb 0.19 -3.70 -0.18 0.00 0.00 0.00 0.00 36.38 32.69 1smk s VAL 70 CO 0.54 0.14 -0.09 -1.54 0.00 0.00 0.00 175.10 174.15 1smk n SER 71 N 5.33 1.99 -4.04 3.32 3.41 -0.31 -3.11 113.62 120.22 1smk n SER 71 Ca -0.09 0.11 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 1smk n SER 71 Cb 0.51 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.63 1smk n SER 71 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1smk s VAL 72 N -2.51 1.16 -0.14 -3.33 1.01 -1.14 -0.85 120.40 114.60 1smk s VAL 72 Ca -0.33 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1smk s VAL 72 Cb 0.10 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1smk s VAL 72 CO 0.61 0.36 -0.11 -0.22 0.00 0.00 0.00 175.10 175.74 1smk s LEU 73 N 0.53 1.52 -0.26 3.92 2.96 -0.44 0.02 118.68 126.93 1smk s LEU 73 Ca -0.12 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1smk s LEU 73 Cb -0.15 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1smk s LEU 73 CO 0.03 -0.10 0.08 -1.00 -1.32 0.00 0.00 176.35 174.04 1smk s HIS 74 N 1.58 3.10 -0.44 5.38 3.76 0.50 -1.74 115.29 127.43 1smk s HIS 74 Ca 0.04 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.33 1smk s HIS 74 Cb -0.13 -2.25 0.05 0.00 1.11 0.00 0.00 32.58 31.36 1smk s HIS 74 CO -0.09 -0.38 0.34 -0.51 -0.85 0.00 0.00 174.74 173.24 1smk s LEU 75 N 1.61 5.35 0.05 0.89 1.43 0.27 -0.24 118.68 128.04 1smk s LEU 75 Ca 0.06 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 1smk s LEU 75 Cb -0.15 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1smk s LEU 75 CO 0.04 -0.55 -0.11 -0.47 0.23 0.00 0.00 176.35 175.49 1smk s TYR 76 N 1.65 2.73 0.16 0.29 6.14 -0.50 -0.82 117.35 126.99 1smk s TYR 76 Ca 0.04 -0.15 -0.23 0.00 0.64 0.00 0.00 57.07 57.38 1smk s TYR 76 Cb -0.22 -1.50 0.08 0.00 0.42 0.00 0.00 41.96 40.74 1smk s TYR 76 CO 0.08 0.36 1.07 0.34 0.64 0.00 0.00 175.55 178.04 1smk s ASP 77 N -1.73 0.01 0.07 4.32 -1.08 -0.87 -0.18 116.67 117.21 1smk s ASP 77 Ca 0.18 -0.62 0.20 0.00 -0.52 0.00 0.00 52.55 51.80 1smk s ASP 77 Cb -0.11 0.45 -0.15 0.00 -1.46 0.00 0.00 42.92 41.66 1smk s ASP 77 CO 0.09 -0.90 0.76 0.52 0.52 0.00 0.00 175.17 176.16 1smk n VAL 78 N -0.74 0.70 -3.93 1.11 0.31 -1.26 -1.63 118.33 112.89 1smk n VAL 78 Ca -0.02 -0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1smk n VAL 78 Cb 0.59 -0.38 -0.07 0.00 -0.91 0.00 0.00 33.84 33.07 1smk n VAL 78 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1smk s VAL 79 N -3.20 0.08 -0.12 2.52 -7.23 -1.26 -4.60 120.40 106.58 1smk s VAL 79 Ca -0.04 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1smk s VAL 79 Cb 0.10 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1smk s VAL 79 CO 0.83 -0.34 0.00 0.59 -0.31 0.00 0.00 175.10 175.86 1smk n ASN 80 N -0.20 -3.14 -0.28 4.85 3.02 -1.26 -4.70 115.26 113.55 1smk n ASN 80 Ca -0.09 0.03 -0.04 0.00 -0.03 0.00 0.00 54.58 54.45 1smk n ASN 80 Cb 0.63 -2.15 0.10 0.00 -0.61 0.00 0.00 39.78 37.75 1smk n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1smk h ALA 81 N 0.09 1.14 -0.08 5.41 0.00 -1.89 -2.27 119.26 121.67 1smk h ALA 81 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1smk h ALA 81 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1smk h ALA 81 CO 0.03 0.64 0.04 -1.35 0.00 0.00 0.00 179.25 178.62 1smk h PRO 82 N 1.15 0.08 0.10 0.00 0.11 -1.92 -1.51 132.00 130.01 1smk h PRO 82 Ca 0.28 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1smk h PRO 82 Cb 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1smk h PRO 82 CO -0.03 0.05 -0.05 0.78 -0.21 0.00 0.00 178.00 178.55 1smk h GLY 83 N 0.09 -0.14 0.99 -0.55 0.00 -1.94 -0.24 103.07 101.27 1smk h GLY 83 Ca 0.03 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.50 1smk h GLY 83 CO -0.02 -0.05 0.45 -2.08 0.00 0.00 0.00 176.54 174.84 1smk h VAL 84 N -0.20 0.94 -0.11 4.60 2.07 -1.38 -1.85 116.25 120.32 1smk h VAL 84 Ca -0.01 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1smk h VAL 84 Cb 0.17 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1smk h VAL 84 CO 0.02 0.11 -0.18 0.74 0.02 0.00 0.00 177.57 178.28 1smk h THR 85 N 0.58 1.38 -0.37 2.57 2.02 -0.75 -1.21 112.91 117.11 1smk h THR 85 Ca 0.31 -1.42 0.07 0.00 0.77 0.00 0.00 66.41 66.14 1smk h THR 85 Cb 0.44 2.04 -0.06 0.00 -1.74 0.00 0.00 68.15 68.84 1smk h THR 85 CO -0.10 0.41 0.02 0.00 0.37 0.00 0.00 175.52 176.22 1smk h ALA 86 N 0.54 0.36 0.46 6.16 0.00 -0.56 0.31 119.26 126.54 1smk h ALA 86 Ca 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1smk h ALA 86 Cb 0.74 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1smk h ALA 86 CO 0.04 -0.38 -0.45 0.22 0.00 0.00 0.00 179.25 178.68 1smk h ASP 87 N 0.12 -1.22 -0.14 0.00 1.82 -1.32 -2.88 116.42 112.81 1smk h ASP 87 Ca 0.18 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.90 1smk h ASP 87 Cb 0.25 0.40 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1smk h ASP 87 CO -0.29 -0.61 0.02 0.40 -1.61 0.00 0.00 179.24 177.16 1smk h ILE 88 N -0.91 1.13 0.00 2.25 2.04 -0.75 -2.78 117.51 118.48 1smk h ILE 88 Ca -0.05 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1smk h ILE 88 Cb 0.80 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1smk h ILE 88 CO -0.06 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 1smk n SER 89 N -4.38 0.61 0.19 1.72 3.41 0.11 -1.95 113.62 113.32 1smk n SER 89 Ca 0.00 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1smk n SER 89 Cb 0.17 -0.82 0.15 0.00 -0.26 0.00 0.00 64.21 63.45 1smk n SER 89 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1smk h HIS 90 N 0.00 0.00 -2.55 7.33 3.86 -1.51 -3.46 115.15 118.81 1smk h HIS 90 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1smk h HIS 90 Cb 0.15 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.67 1smk h HIS 90 CO 0.00 0.00 1.10 -1.64 0.86 0.00 0.00 177.93 178.25 1smk s MET 91 N -3.24 4.13 -1.51 2.45 1.00 -0.82 -4.86 119.30 116.45 1smk s MET 91 Ca 0.06 2.62 -0.12 0.00 0.00 0.00 0.00 55.69 58.25 1smk s MET 91 Cb 0.07 -3.47 -0.00 0.00 0.00 0.00 0.00 34.83 31.43 1smk s MET 91 CO 0.69 -0.83 2.52 -0.40 0.00 0.00 0.00 175.02 177.00 1smk n ASP 92 N 5.27 6.15 -4.45 3.03 5.75 -1.26 -4.87 116.55 126.17 1smk n ASP 92 Ca 0.17 -2.76 -0.22 0.00 -0.01 0.00 0.00 54.79 51.98 1smk n ASP 92 Cb 0.37 -1.59 -0.11 0.00 -1.03 0.00 0.00 41.12 38.76 1smk n ASP 92 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1smk s THR 93 N 2.40 1.40 0.23 2.12 -4.23 -1.26 -5.07 115.64 111.22 1smk s THR 93 Ca 0.56 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1smk s THR 93 Cb 0.16 -2.65 0.19 0.00 1.34 0.00 0.00 72.50 71.53 1smk s THR 93 CO -0.07 -0.13 1.84 1.23 -0.54 0.00 0.00 174.62 176.95 1smk h GLY 94 N 2.18 1.18 -4.91 3.99 0.00 -1.88 -3.44 103.07 100.18 1smk h GLY 94 Ca -0.41 -0.35 -0.60 0.00 0.00 0.00 0.00 47.33 45.98 1smk h GLY 94 CO 0.69 0.25 0.67 0.00 0.00 0.00 0.00 176.54 178.15 1smk n ALA 95 N -2.35 0.90 -2.55 3.60 0.00 -1.18 -4.87 120.51 114.06 1smk n ALA 95 Ca 0.11 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 1smk n ALA 95 Cb 0.16 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.23 1smk n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1smk s VAL 96 N 0.46 5.24 -0.01 0.00 1.01 -0.03 -4.92 120.40 122.15 1smk s VAL 96 Ca 0.75 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1smk s VAL 96 Cb -0.71 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1smk s VAL 96 CO 0.44 0.01 0.19 0.54 0.00 0.00 0.00 175.10 176.28 1smk s VAL 97 N 1.85 5.43 -0.02 2.92 0.11 -1.26 -1.33 120.40 128.11 1smk s VAL 97 Ca 0.09 -0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1smk s VAL 97 Cb -0.17 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1smk s VAL 97 CO 0.11 0.32 0.07 -0.13 -3.33 0.00 0.00 175.10 172.14 1smk s ARG 98 N -1.95 0.19 0.11 1.54 0.52 -0.71 -4.95 118.95 113.71 1smk s ARG 98 Ca 0.27 -0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 1smk s ARG 98 Cb -0.13 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 1smk s ARG 98 CO 0.19 -0.03 0.25 0.20 0.02 0.00 0.00 175.30 175.92 1smk s GLY 99 N -0.45 1.92 -0.07 -3.53 0.00 -1.26 -0.56 107.32 103.36 1smk s GLY 99 Ca -0.05 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 1smk s GLY 99 CO 0.00 -0.94 0.07 -1.36 0.00 0.00 0.00 173.10 170.87 1smk s PHE 100 N -1.64 0.09 -0.41 1.90 0.40 -0.00 -4.90 117.98 113.42 1smk s PHE 100 Ca 0.35 0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1smk s PHE 100 Cb -0.12 -0.53 0.11 0.00 0.51 0.00 0.00 43.02 42.99 1smk s PHE 100 CO 0.28 -0.27 0.18 -1.17 0.70 0.00 0.00 175.22 174.95 1smk s LEU 101 N 2.16 5.09 0.00 -0.37 2.96 -1.26 -2.04 118.68 125.22 1smk s LEU 101 Ca 0.04 -2.17 0.00 0.00 -0.22 0.00 0.00 54.13 51.78 1smk s LEU 101 Cb -0.13 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1smk s LEU 101 CO -0.04 -0.47 0.00 0.61 -1.32 0.00 0.00 176.35 175.12 1smk n GLY 102 N 4.35 2.73 0.42 7.98 0.00 -0.65 -4.60 105.19 115.41 1smk n GLY 102 Ca 0.01 -1.82 0.20 0.00 0.00 0.00 0.00 46.02 44.41 1smk n GLY 102 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1smk h GLN 103 N 0.00 0.00 0.00 1.61 5.75 -1.96 0.35 115.11 120.86 1smk h GLN 103 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1smk h GLN 103 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1smk h GLN 103 CO 0.00 0.00 -0.41 -0.56 -2.65 0.00 0.00 178.83 175.21 1smk h GLN 104 N 0.00 0.00 -0.02 1.69 -0.00 -2.00 -3.18 115.11 111.60 1smk h GLN 104 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 1smk h GLN 104 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.09 1smk h GLN 104 CO -0.00 0.41 0.00 1.04 -0.00 0.00 0.00 178.83 180.28 1smk n GLN 105 N -3.73 0.75 -0.11 0.06 6.02 0.12 -4.61 117.38 115.88 1smk n GLN 105 Ca -0.01 -1.25 -0.05 0.00 -0.01 0.00 0.00 57.00 55.68 1smk n GLN 105 Cb 0.49 -1.24 0.02 0.00 1.02 0.00 0.00 30.24 30.53 1smk n GLN 105 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1smk h LEU 106 N 2.40 -0.08 -1.10 1.08 5.85 -1.44 -0.20 115.31 121.83 1smk h LEU 106 Ca 0.00 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.95 1smk h LEU 106 Cb 0.52 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1smk h LEU 106 CO 0.00 -0.00 0.61 -0.08 -0.34 0.00 0.00 178.44 178.63 1smk h GLU 107 N 0.14 0.80 0.00 1.25 4.81 -1.81 0.12 114.58 119.89 1smk h GLU 107 Ca 0.18 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1smk h GLU 107 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1smk h GLU 107 CO -0.27 0.53 -0.49 0.00 -0.73 0.00 0.00 179.01 178.06 1smk h ALA 108 N 1.59 1.18 -0.06 2.92 0.00 -1.38 -2.57 119.26 120.94 1smk h ALA 108 Ca 0.51 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1smk h ALA 108 Cb 0.71 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1smk h ALA 108 CO -0.28 0.61 -0.92 0.00 0.00 0.00 0.00 179.25 178.66 1smk h ALA 109 N 1.51 0.19 0.06 0.00 0.00 0.43 -3.35 119.26 118.11 1smk h ALA 109 Ca -0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 1smk h ALA 109 Cb 0.87 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1smk h ALA 109 CO 0.06 0.66 -1.18 -0.07 0.00 0.00 0.00 179.25 178.72 1smk h LEU 110 N 0.42 0.19 -9.24 0.00 3.38 -1.31 -3.45 115.31 105.30 1smk h LEU 110 Ca -0.10 -0.22 -0.69 0.00 0.09 0.00 0.00 57.88 56.96 1smk h LEU 110 Cb 1.57 -0.06 0.04 0.00 0.09 0.00 0.00 40.66 42.29 1smk h LEU 110 CO 0.18 1.17 0.61 0.41 0.09 0.00 0.00 178.44 180.91 1smk n THR 111 N -3.41 0.11 -1.06 0.22 -1.04 -0.97 -1.36 114.28 106.77 1smk n THR 111 Ca -0.06 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 61.91 1smk n THR 111 Cb 0.99 -0.98 -0.01 0.00 -1.82 0.00 0.00 70.33 68.51 1smk n THR 111 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1smk n GLY 112 N 3.09 0.50 3.78 3.41 0.00 -1.25 -5.02 105.19 109.71 1smk n GLY 112 Ca 0.21 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1smk n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1smk s MET 113 N -1.28 4.60 -0.14 1.61 1.00 -0.46 -4.82 119.30 119.80 1smk s MET 113 Ca 0.00 1.37 0.06 0.00 0.00 0.00 0.00 55.69 57.13 1smk s MET 113 Cb 0.00 -2.86 -0.23 0.00 0.00 0.00 0.00 34.83 31.74 1smk s MET 113 CO 0.00 0.28 0.26 -0.25 0.00 0.00 0.00 175.02 175.32 1smk n ASP 114 N 0.66 1.26 -3.87 3.03 8.00 0.58 -4.40 116.55 121.81 1smk n ASP 114 Ca 0.02 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 1smk n ASP 114 Cb 0.49 -0.13 -0.15 0.00 -0.02 0.00 0.00 41.12 41.32 1smk n ASP 114 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1smk s LEU 115 N -6.31 1.70 -0.13 0.64 2.96 -0.68 -1.34 118.68 115.52 1smk s LEU 115 Ca -0.17 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1smk s LEU 115 Cb 0.07 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.66 1smk s LEU 115 CO 0.76 -0.02 -0.14 -0.63 -1.32 0.00 0.00 176.35 175.00 1smk s ILE 116 N 0.33 1.50 -0.18 6.68 1.01 -0.39 -0.61 121.20 129.53 1smk s ILE 116 Ca -0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1smk s ILE 116 Cb -0.05 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1smk s ILE 116 CO -0.01 0.45 0.05 -0.63 0.00 0.00 0.00 174.94 174.80 1smk s ILE 117 N 1.31 4.66 -0.49 2.92 1.01 0.80 -0.59 121.20 130.81 1smk s ILE 117 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.61 1smk s ILE 117 Cb -0.14 -3.10 0.13 0.00 0.01 0.00 0.00 42.46 39.36 1smk s ILE 117 CO -0.07 0.46 0.23 -0.69 0.00 0.00 0.00 174.94 174.87 1smk s VAL 118 N 0.45 2.47 -2.15 2.92 1.01 0.14 -0.63 120.40 124.62 1smk s VAL 118 Ca 0.02 -3.15 0.18 0.00 0.00 0.00 0.00 61.98 59.03 1smk s VAL 118 Cb -0.13 -2.73 0.45 0.00 0.00 0.00 0.00 36.38 33.97 1smk s VAL 118 CO 0.01 -0.78 1.42 -2.65 0.00 0.00 0.00 175.10 173.10 1smk n PRO 119 N 3.28 2.13 -1.60 2.72 -0.02 -1.05 -1.41 135.00 139.05 1smk n PRO 119 Ca 0.05 -1.73 -0.46 0.00 -2.02 0.00 0.00 63.50 59.34 1smk n PRO 119 Cb 0.33 -1.41 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1smk n PRO 119 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smk n ALA 120 N 0.92 -0.10 0.00 3.55 0.00 -0.51 -4.73 120.51 119.65 1smk n ALA 120 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1smk n ALA 120 Cb 0.44 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1smk n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 121 N 1.53 -0.04 3.55 0.00 0.00 -1.26 -4.26 105.19 104.71 1smk n GLY 121 Ca 0.11 -1.68 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 1smk n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1smk s VAL 122 N -2.03 -0.00 0.39 1.61 -7.23 -1.26 -5.07 120.40 106.80 1smk s VAL 122 Ca 0.00 0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.12 1smk s VAL 122 Cb 0.00 -0.90 0.10 0.00 0.56 0.00 0.00 36.38 36.13 1smk s VAL 122 CO 0.00 0.01 0.29 -2.65 -0.31 0.00 0.00 175.10 172.43 1smk n PRO 123 N 3.95 -2.17 -4.23 4.82 -0.02 -1.26 -4.96 135.00 131.14 1smk n PRO 123 Ca -0.19 -0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 60.52 1smk n PRO 123 Cb 0.58 -0.51 -0.09 0.00 -0.02 0.00 0.00 33.50 33.46 1smk n PRO 123 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1smk s ARG 124 N -3.66 2.34 0.32 -0.52 1.70 -1.26 -5.13 118.95 112.74 1smk s ARG 124 Ca 0.20 -0.91 -0.05 0.00 -0.47 0.00 0.00 55.73 54.49 1smk s ARG 124 Cb -0.03 -2.42 0.08 0.00 -0.57 0.00 0.00 34.95 32.02 1smk s ARG 124 CO 0.16 0.53 0.23 1.63 -1.08 0.00 0.00 175.30 176.77 1smk n LYS 125 N 0.78 -2.22 -0.00 3.89 5.02 -1.26 -4.65 118.16 119.72 1smk n LYS 125 Ca -0.13 -0.37 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 1smk n LYS 125 Cb 0.52 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1smk n LYS 125 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1smk n PRO 126 N -2.66 0.00 -0.11 1.97 -0.02 -1.26 -3.71 135.00 129.22 1smk n PRO 126 Ca 0.03 -0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.17 1smk n PRO 126 Cb 0.14 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 1smk n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1smk n GLY 127 N 3.27 -0.41 4.35 -1.23 0.00 -1.26 -4.94 105.19 104.97 1smk n GLY 127 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1smk n GLY 127 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1smk n MET 128 N -4.15 0.00 -2.08 1.61 1.56 -1.24 -4.50 117.12 108.31 1smk n MET 128 Ca -0.37 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 56.98 1smk n MET 128 Cb 0.72 -3.73 0.05 0.00 2.15 0.00 0.00 33.22 32.41 1smk n MET 128 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1smk n THR 129 N -1.70 1.74 -3.37 1.12 -2.24 -1.26 -4.91 114.28 103.66 1smk n THR 129 Ca 0.00 -3.25 -0.26 0.00 -2.27 0.00 0.00 64.05 58.26 1smk n THR 129 Cb 0.00 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 1smk n THR 129 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1smk n ARG 130 N -0.58 0.42 -0.01 -0.78 3.00 -1.26 -4.93 116.66 112.52 1smk n ARG 130 Ca 0.23 -3.27 0.14 0.00 -0.00 0.00 0.00 57.85 54.95 1smk n ARG 130 Cb 0.89 -1.61 0.58 0.00 0.00 0.00 0.00 32.46 32.33 1smk n ARG 130 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1smk n ASP 131 N 2.44 1.22 -1.11 6.15 2.03 -1.26 -3.92 116.55 122.09 1smk n ASP 131 Ca 0.27 -1.44 -0.03 0.00 0.52 0.00 0.00 54.79 54.12 1smk n ASP 131 Cb 0.48 -0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.90 1smk n ASP 131 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1smk n ASP 132 N -0.04 2.90 0.17 1.67 8.00 -1.26 -3.55 116.55 124.44 1smk n ASP 132 Ca 0.19 -2.23 0.13 0.00 0.71 0.00 0.00 54.79 53.60 1smk n ASP 132 Cb 0.30 -0.55 0.57 0.00 -0.02 0.00 0.00 41.12 41.42 1smk n ASP 132 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1smk h LEU 133 N 0.94 0.00 -0.93 0.64 8.10 -1.99 -2.97 115.31 119.11 1smk h LEU 133 Ca 0.08 0.00 0.21 0.00 0.11 0.00 0.00 57.88 58.29 1smk h LEU 133 Cb 1.20 0.00 -0.18 0.00 -0.44 0.00 0.00 40.66 41.24 1smk h LEU 133 CO 0.15 0.00 -0.13 0.33 -4.11 0.00 0.00 178.44 174.69 1smk n PHE 134 N -2.45 0.44 -0.11 0.17 7.35 -1.23 -0.25 117.46 121.38 1smk n PHE 134 Ca 0.01 1.13 -0.07 0.00 -0.76 0.00 0.00 57.45 57.76 1smk n PHE 134 Cb 0.22 -1.11 -0.05 0.00 0.35 0.00 0.00 39.48 38.89 1smk n PHE 134 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1smk h LYS 135 N 0.00 -0.15 0.13 -4.13 1.57 -1.87 0.60 116.57 112.71 1smk h LYS 135 Ca 0.49 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1smk h LYS 135 Cb 0.88 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1smk h LYS 135 CO -0.92 -0.10 -0.19 0.82 -0.57 0.00 0.00 179.45 178.49 1smk h ILE 136 N -0.16 0.00 -0.92 1.86 2.04 -0.87 -2.04 117.51 117.41 1smk h ILE 136 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.03 1smk h ILE 136 Cb 0.29 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 1smk h ILE 136 CO -0.36 0.00 0.59 0.78 0.00 0.00 0.00 178.15 179.16 1smk h ASN 137 N -0.33 0.77 -0.63 1.72 2.35 -1.29 -0.37 115.58 117.79 1smk h ASN 137 Ca -0.01 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1smk h ASN 137 Cb 0.30 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1smk h ASN 137 CO -0.06 0.41 0.29 0.00 -1.65 0.00 0.00 177.43 176.42 1smk h ALA 138 N 1.57 1.26 -0.14 -0.83 0.00 0.34 0.11 119.26 121.58 1smk h ALA 138 Ca 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1smk h ALA 138 Cb 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1smk h ALA 138 CO -0.22 0.55 -0.09 0.78 0.00 0.00 0.00 179.25 180.28 1smk h GLY 139 N 1.02 0.33 0.62 0.00 0.00 -0.37 -1.22 103.07 103.44 1smk h GLY 139 Ca 0.23 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.30 1smk h GLY 139 CO -0.02 0.28 0.15 -2.22 0.00 0.00 0.00 176.54 174.73 1smk h ILE 140 N -0.06 0.87 -0.74 2.60 2.04 -0.84 0.18 117.51 121.56 1smk h ILE 140 Ca 0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1smk h ILE 140 Cb 0.58 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1smk h ILE 140 CO 0.02 0.06 0.48 0.58 0.00 0.00 0.00 178.15 179.29 1smk h VAL 141 N 0.32 1.20 0.42 1.67 2.07 -0.75 -2.12 116.25 119.06 1smk h VAL 141 Ca 0.20 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1smk h VAL 141 Cb 0.19 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1smk h VAL 141 CO -0.20 0.19 -0.50 0.50 0.02 0.00 0.00 177.57 177.58 1smk h LYS 142 N 1.00 -0.91 0.18 1.57 3.64 0.12 -0.25 116.57 121.92 1smk h LYS 142 Ca 0.27 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1smk h LYS 142 Cb -0.09 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1smk h LYS 142 CO -0.06 -0.61 -0.39 1.79 -2.27 0.00 0.00 179.45 177.92 1smk h THR 143 N -0.94 0.20 -0.76 1.00 1.35 -0.89 -2.35 112.91 110.52 1smk h THR 143 Ca -0.05 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.96 1smk h THR 143 Cb 0.84 0.20 -0.10 0.00 -1.73 0.00 0.00 68.15 67.36 1smk h THR 143 CO -0.10 0.00 0.27 -0.07 -0.25 0.00 0.00 175.52 175.37 1smk h LEU 144 N -0.66 0.21 -1.68 3.87 3.38 -1.31 0.68 115.31 119.81 1smk h LEU 144 Ca 0.01 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1smk h LEU 144 Cb 0.67 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1smk h LEU 144 CO -0.19 0.06 -0.17 0.00 0.09 0.00 0.00 178.44 178.22 1smk h GLU 146 N 0.00 0.63 -0.59 0.00 5.08 -0.38 -1.40 114.58 117.93 1smk h GLU 146 Ca -0.00 -0.63 -0.07 0.00 -1.00 0.00 0.00 59.36 57.66 1smk h GLU 146 Cb 0.45 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1smk h GLU 146 CO 0.02 1.24 0.09 0.78 -1.00 0.00 0.00 179.01 180.14 1smk h GLY 147 N 0.70 1.03 0.80 -3.84 0.00 -0.55 -2.07 103.07 99.15 1smk h GLY 147 Ca -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1smk h GLY 147 CO 0.18 0.61 -0.06 -2.22 0.00 0.00 0.00 176.54 175.05 1smk h ILE 148 N 0.90 0.98 0.00 2.60 2.04 -0.80 0.42 117.51 123.64 1smk h ILE 148 Ca 0.18 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1smk h ILE 148 Cb 0.41 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1smk h ILE 148 CO 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 178.15 178.24 1smk h ALA 149 N 0.47 1.82 0.04 1.87 0.00 -1.19 0.39 119.26 122.66 1smk h ALA 149 Ca -0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1smk h ALA 149 Cb 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1smk h ALA 149 CO 0.03 0.03 -1.25 -0.22 0.00 0.00 0.00 179.25 177.84 1smk h LYS 150 N 0.00 0.07 0.00 0.00 3.64 -1.10 -3.34 116.57 115.85 1smk h LYS 150 Ca -0.00 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1smk h LYS 150 Cb 0.04 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1smk h LYS 150 CO 0.00 0.95 -1.47 0.00 -2.27 0.00 0.00 179.45 176.66 1smk h PRO 153 N 2.82 0.00 -0.11 0.00 0.13 -1.56 0.66 132.00 133.94 1smk h PRO 153 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1smk h PRO 153 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1smk h PRO 153 CO 0.20 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.51 1smk n ARG 154 N -2.48 2.37 -2.48 0.86 1.74 -1.26 -4.89 116.66 110.52 1smk n ARG 154 Ca -0.02 -2.01 -0.37 0.00 -0.77 0.00 0.00 57.85 54.68 1smk n ARG 154 Cb 0.14 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 1smk n ARG 154 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1smk s ALA 155 N -1.88 3.15 0.22 7.54 0.00 0.22 -5.01 121.76 126.00 1smk s ALA 155 Ca 0.31 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1smk s ALA 155 Cb 0.21 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1smk s ALA 155 CO 0.30 -0.28 1.04 0.42 0.00 0.00 0.00 175.76 177.25 1smk s ILE 156 N -1.52 3.86 -0.10 0.00 -1.09 -0.45 -4.87 121.20 117.03 1smk s ILE 156 Ca 0.56 1.76 0.01 0.00 -2.23 0.00 0.00 60.65 60.74 1smk s ILE 156 Cb -0.25 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1smk s ILE 156 CO 0.32 0.37 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.59 1smk s VAL 157 N -0.77 3.17 -0.41 2.92 1.01 0.49 -1.27 120.40 125.53 1smk s VAL 157 Ca 0.45 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1smk s VAL 157 Cb -0.29 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 33.90 1smk s VAL 157 CO 0.36 0.55 0.17 0.20 0.00 0.00 0.00 175.10 176.38 1smk s ASN 158 N -0.09 4.97 -0.18 3.32 -0.87 0.24 -1.25 114.94 121.08 1smk s ASN 158 Ca -0.01 -2.26 -0.14 0.00 -1.57 0.00 0.00 52.86 48.87 1smk s ASN 158 Cb -0.14 -1.74 -0.04 0.00 -0.02 0.00 0.00 41.25 39.31 1smk s ASN 158 CO 0.03 -0.43 0.31 -0.22 -2.57 0.00 0.00 177.10 174.22 1smk s LEU 159 N 0.78 4.21 -0.04 0.60 2.96 -0.09 -0.68 118.68 126.42 1smk s LEU 159 Ca 0.11 0.48 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1smk s LEU 159 Cb -0.21 -2.39 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1smk s LEU 159 CO -0.05 0.05 0.05 -0.38 -1.32 0.00 0.00 176.35 174.70 1smk n ILE 160 N 3.82 0.27 -1.24 6.68 5.41 -0.50 -0.48 119.36 133.32 1smk n ILE 160 Ca -0.11 -0.21 -0.56 0.00 1.00 0.00 0.00 62.75 62.87 1smk n ILE 160 Cb 0.52 -0.51 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 1smk n ILE 160 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1smk n SER 161 N -2.07 0.78 -4.75 4.38 7.64 -0.89 -4.63 113.62 114.08 1smk n SER 161 Ca -0.07 0.73 -0.41 0.00 1.01 0.00 0.00 58.87 60.13 1smk n SER 161 Cb 0.53 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.88 1smk n SER 161 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1smk s ASN 162 N 4.80 7.15 -0.28 6.43 3.84 -1.26 -3.13 114.94 132.49 1smk s ASN 162 Ca 1.06 2.28 -0.20 0.00 0.21 0.00 0.00 52.86 56.20 1smk s ASN 162 Cb -1.36 -2.62 -0.01 0.00 -0.55 0.00 0.00 41.25 36.70 1smk s ASN 162 CO 0.63 -0.27 0.63 -2.16 -2.79 0.00 0.00 177.10 173.14 1smk s PRO 163 N -0.93 4.01 0.41 0.43 0.04 -1.26 -4.84 135.00 132.86 1smk s PRO 163 Ca 0.48 0.42 0.13 0.00 0.04 0.00 0.00 61.00 62.07 1smk s PRO 163 Cb -0.33 -3.69 0.96 0.00 0.04 0.00 0.00 34.50 31.49 1smk s PRO 163 CO 0.40 -0.49 1.94 0.28 0.04 0.00 0.00 177.00 179.17 1smk h VAL 164 N 5.47 0.86 -0.12 -0.36 2.07 -1.80 0.53 116.25 122.91 1smk h VAL 164 Ca -0.27 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1smk h VAL 164 Cb 1.12 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1smk h VAL 164 CO 0.78 0.09 0.17 0.78 0.02 0.00 0.00 177.57 179.42 1smk h ASN 165 N 0.51 0.00 0.00 0.57 4.21 -1.90 -2.42 115.58 116.54 1smk h ASN 165 Ca 0.35 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.70 1smk h ASN 165 Cb 0.65 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.82 1smk h ASN 165 CO -0.12 0.00 -1.57 -1.20 -1.29 0.00 0.00 177.43 173.25 1smk n SER 166 N -3.62 2.76 -0.28 5.81 7.64 0.04 -3.70 113.62 122.28 1smk n SER 166 Ca 0.00 -0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 1smk n SER 166 Cb 0.27 -0.19 0.17 0.00 -1.01 0.00 0.00 64.21 63.46 1smk n SER 166 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1smk h THR 167 N -0.07 1.23 0.37 0.44 1.35 -0.02 0.11 112.91 116.31 1smk h THR 167 Ca -0.23 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1smk h THR 167 Cb 1.33 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1smk h THR 167 CO -0.06 0.23 -0.18 0.58 -0.25 0.00 0.00 175.52 175.85 1smk h VAL 168 N 1.14 0.65 -0.59 6.82 2.07 -1.66 0.26 116.25 124.94 1smk h VAL 168 Ca 0.30 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.81 1smk h VAL 168 Cb -0.07 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1smk h VAL 168 CO -0.06 0.01 0.39 -0.65 0.02 0.00 0.00 177.57 177.29 1smk h PRO 169 N -0.52 0.59 -0.02 1.57 0.11 -1.67 -0.29 132.00 131.76 1smk h PRO 169 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1smk h PRO 169 Cb 0.40 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1smk h PRO 169 CO 0.08 0.39 0.01 0.82 -0.21 0.00 0.00 178.00 179.09 1smk h ILE 170 N 0.60 1.02 -0.16 4.15 2.04 -0.36 -2.37 117.51 122.45 1smk h ILE 170 Ca 0.25 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.08 1smk h ILE 170 Cb 0.22 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1smk h ILE 170 CO -0.07 0.02 -0.02 0.00 0.00 0.00 0.00 178.15 178.08 1smk h ALA 171 N 0.99 0.12 -0.93 1.87 0.00 0.43 -0.83 119.26 120.92 1smk h ALA 171 Ca 0.01 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1smk h ALA 171 Cb 0.02 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1smk h ALA 171 CO -0.00 -0.46 0.60 0.00 0.00 0.00 0.00 179.25 179.38 1smk h ALA 172 N 1.15 1.95 -0.01 0.00 0.00 -0.96 0.29 119.26 121.68 1smk h ALA 172 Ca 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1smk h ALA 172 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1smk h ALA 172 CO -0.14 -0.24 -0.02 0.93 0.00 0.00 0.00 179.25 179.77 1smk h GLU 173 N 0.60 0.03 -0.75 0.00 4.39 -0.81 -1.37 114.58 116.67 1smk h GLU 173 Ca 0.49 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.27 1smk h GLU 173 Cb 0.96 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 1smk h GLU 173 CO -0.24 0.62 0.49 0.28 -1.16 0.00 0.00 179.01 179.01 1smk h VAL 174 N -0.55 0.94 -0.05 3.13 2.07 -0.33 0.69 116.25 122.15 1smk h VAL 174 Ca -0.00 -0.23 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 1smk h VAL 174 Cb 0.62 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1smk h VAL 174 CO 0.01 0.12 -0.72 -0.26 0.02 0.00 0.00 177.57 176.74 1smk h PHE 175 N 0.67 0.38 -0.36 1.57 0.04 -0.94 -2.59 116.94 115.70 1smk h PHE 175 Ca 0.35 -0.17 -0.13 0.00 2.80 0.00 0.00 57.97 60.82 1smk h PHE 175 Cb 0.46 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1smk h PHE 175 CO -0.00 0.90 -0.31 0.87 -0.60 0.00 0.00 178.31 179.17 1smk h LYS 176 N 0.19 0.78 -0.11 1.51 1.57 0.04 -0.65 116.57 119.91 1smk h LYS 176 Ca -0.02 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 1smk h LYS 176 Cb 1.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1smk h LYS 176 CO 0.11 0.98 -0.25 -0.22 -0.57 0.00 0.00 179.45 179.51 1smk h LYS 177 N 0.66 0.19 -0.01 3.15 3.64 -0.83 -2.44 116.57 120.93 1smk h LYS 177 Ca 0.07 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1smk h LYS 177 Cb 0.84 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1smk h LYS 177 CO 0.07 0.43 -0.23 0.00 -2.27 0.00 0.00 179.45 177.45 1smk n ALA 178 N -2.48 3.04 -2.24 5.00 0.00 -0.99 -4.96 120.51 117.88 1smk n ALA 178 Ca -0.01 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 1smk n ALA 178 Cb 0.35 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 1smk n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 179 N 1.33 -0.12 0.00 0.00 0.00 -0.56 -4.90 105.19 100.95 1smk n GLY 179 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1smk n GLY 179 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1smk n THR 180 N -4.01 0.21 -1.79 2.61 -2.24 -0.36 -5.03 114.28 103.67 1smk n THR 180 Ca -0.14 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 1smk n THR 180 Cb 0.61 0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1smk n THR 180 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1smk s TYR 181 N -0.22 2.59 -0.28 4.78 5.04 -0.91 -4.88 117.35 123.48 1smk s TYR 181 Ca 0.00 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.74 1smk s TYR 181 Cb 0.00 -4.04 0.17 0.00 0.35 0.00 0.00 41.96 38.44 1smk s TYR 181 CO 0.00 -3.10 0.49 0.34 -1.34 0.00 0.00 175.55 171.94 1smk s ASP 182 N -0.06 -0.54 0.08 4.32 -1.08 -1.26 -4.99 116.67 113.13 1smk s ASP 182 Ca 0.54 0.39 0.04 0.00 -0.52 0.00 0.00 52.55 53.00 1smk s ASP 182 Cb -0.47 1.61 0.23 0.00 -1.46 0.00 0.00 42.92 42.82 1smk s ASP 182 CO 0.62 -0.29 1.04 -0.81 0.52 0.00 0.00 175.17 176.24 1smk n PRO 183 N 5.39 0.03 0.08 4.34 -0.04 -1.26 -0.92 135.00 142.62 1smk n PRO 183 Ca -0.01 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1smk n PRO 183 Cb 0.51 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 1smk n PRO 183 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1smk n LYS 184 N -1.58 0.51 -0.61 0.54 5.02 -1.26 -4.25 118.16 116.53 1smk n LYS 184 Ca -0.00 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.44 1smk n LYS 184 Cb 0.12 -1.75 0.32 0.00 -0.02 0.00 0.00 35.03 33.70 1smk n LYS 184 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1smk n ARG 185 N -2.45 3.74 -4.22 1.97 1.74 -0.09 -1.06 116.66 116.29 1smk n ARG 185 Ca 0.00 -2.91 -0.23 0.00 -0.77 0.00 0.00 57.85 53.94 1smk n ARG 185 Cb 0.52 -1.96 -0.17 0.00 -1.02 0.00 0.00 32.46 29.83 1smk n ARG 185 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1smk s LEU 186 N -2.54 1.33 -0.07 0.55 2.96 -1.25 -0.38 118.68 119.28 1smk s LEU 186 Ca 0.47 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.14 1smk s LEU 186 Cb 0.35 -0.63 0.04 0.00 0.50 0.00 0.00 46.19 46.45 1smk s LEU 186 CO 0.14 -0.05 0.15 -0.76 -1.32 0.00 0.00 176.35 174.51 1smk s LEU 187 N 1.07 0.32 -0.13 -0.68 1.02 -0.38 -4.58 118.68 115.32 1smk s LEU 187 Ca -0.08 0.31 -0.26 0.00 0.02 0.00 0.00 54.13 54.12 1smk s LEU 187 Cb -0.14 0.30 -0.02 0.00 0.02 0.00 0.00 46.19 46.34 1smk s LEU 187 CO -0.01 -0.20 0.83 -0.83 0.02 0.00 0.00 176.35 176.17 1smk s GLY 188 N 1.76 2.32 -0.45 -3.19 0.00 0.15 -0.92 107.32 106.98 1smk s GLY 188 Ca -0.03 0.14 -0.28 0.00 0.00 0.00 0.00 44.72 44.54 1smk s GLY 188 CO -0.06 1.59 1.45 0.14 0.00 0.00 0.00 173.10 176.23 1smk s VAL 189 N 1.74 3.83 -0.94 1.40 1.01 0.37 -0.90 120.40 126.91 1smk s VAL 189 Ca 0.40 0.80 0.10 0.00 0.00 0.00 0.00 61.98 63.29 1smk s VAL 189 Cb -0.17 -4.22 0.24 0.00 0.00 0.00 0.00 36.38 32.23 1smk s VAL 189 CO 0.16 -0.84 1.15 0.35 0.00 0.00 0.00 175.10 175.92 1smk n THR 190 N 7.06 0.80 -0.29 3.92 -2.24 -1.26 -4.72 114.28 117.55 1smk n THR 190 Ca 0.16 -0.90 0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1smk n THR 190 Cb 0.48 0.64 0.26 0.00 -2.10 0.00 0.00 70.33 69.62 1smk n THR 190 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1smk h MET 191 N 1.89 0.32 -0.29 -0.78 -1.53 -1.87 0.47 114.93 113.14 1smk h MET 191 Ca 0.00 -0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.33 1smk h MET 191 Cb 0.66 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.62 1smk h MET 191 CO 0.00 0.21 0.27 1.25 0.14 0.00 0.00 176.91 178.78 1smk h LEU 192 N 0.33 0.00 -0.33 3.39 5.85 -1.88 0.33 115.31 123.00 1smk h LEU 192 Ca 0.51 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 59.04 1smk h LEU 192 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1smk h LEU 192 CO -0.54 0.00 -0.67 0.44 -0.34 0.00 0.00 178.44 177.32 1smk h ASP 193 N 0.00 0.76 -0.03 1.25 3.32 -1.27 -0.49 116.42 119.95 1smk h ASP 193 Ca 0.14 -0.46 -0.17 0.00 0.02 0.00 0.00 57.03 56.55 1smk h ASP 193 Cb 0.68 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1smk h ASP 193 CO -0.00 1.23 -0.58 0.58 -1.72 0.00 0.00 179.24 178.74 1smk h VAL 194 N 0.47 1.31 0.46 -1.35 2.07 -0.59 -0.06 116.25 118.56 1smk h VAL 194 Ca -0.02 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 1smk h VAL 194 Cb 1.27 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1smk h VAL 194 CO 0.13 0.57 -0.22 0.58 0.02 0.00 0.00 177.57 178.66 1smk h VAL 195 N 0.48 0.54 -0.30 2.57 2.07 -0.43 -0.01 116.25 121.16 1smk h VAL 195 Ca 0.00 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1smk h VAL 195 Cb 1.15 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1smk h VAL 195 CO 0.11 0.03 -0.03 0.03 0.02 0.00 0.00 177.57 177.74 1smk h ARG 196 N -0.73 0.06 -0.49 1.57 3.08 -1.08 -0.53 114.38 116.25 1smk h ARG 196 Ca -0.06 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.08 1smk h ARG 196 Cb 0.53 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 1smk h ARG 196 CO 0.10 0.04 -0.10 0.00 -1.07 0.00 0.00 179.97 178.94 1smk h ALA 197 N 1.28 0.35 -0.29 0.04 0.00 -0.83 0.11 119.26 119.91 1smk h ALA 197 Ca 0.15 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1smk h ALA 197 Cb 0.21 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1smk h ALA 197 CO -0.27 -0.43 0.19 -0.91 0.00 0.00 0.00 179.25 177.82 1smk h ASN 198 N 0.02 0.35 0.58 0.00 2.35 -0.07 -0.42 115.58 118.38 1smk h ASN 198 Ca 0.24 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1smk h ASN 198 Cb 0.37 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1smk h ASN 198 CO -0.49 0.27 -0.32 0.74 -1.65 0.00 0.00 177.43 175.99 1smk h THR 199 N 0.39 0.34 -0.52 2.81 2.02 0.01 -0.07 112.91 117.89 1smk h THR 199 Ca 0.11 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.32 1smk h THR 199 Cb -0.02 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1smk h THR 199 CO -0.02 0.00 0.30 -0.26 0.37 0.00 0.00 175.52 175.91 1smk h PHE 200 N -0.84 0.56 -0.68 3.16 0.04 -0.80 -0.12 116.94 118.26 1smk h PHE 200 Ca -0.07 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 1smk h PHE 200 Cb 0.67 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 1smk h PHE 200 CO -0.07 0.31 0.13 0.28 -0.60 0.00 0.00 178.31 178.36 1smk h VAL 201 N 0.59 1.26 -0.52 -0.55 2.07 -1.04 -2.48 116.25 115.59 1smk h VAL 201 Ca 0.21 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1smk h VAL 201 Cb 0.05 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1smk h VAL 201 CO -0.11 0.39 0.14 0.00 0.02 0.00 0.00 177.57 178.01 1smk h ALA 202 N 1.08 1.27 -0.68 1.67 0.00 -0.43 -1.36 119.26 120.81 1smk h ALA 202 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1smk h ALA 202 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1smk h ALA 202 CO 0.01 0.52 0.31 1.49 0.00 0.00 0.00 179.25 181.57 1smk h GLU 203 N 0.76 0.99 -0.35 0.00 4.81 -0.60 0.31 114.58 120.50 1smk h GLU 203 Ca 0.17 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1smk h GLU 203 Cb 0.26 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1smk h GLU 203 CO -0.00 0.80 -0.16 0.28 -0.73 0.00 0.00 179.01 179.20 1smk h VAL 204 N 0.95 1.25 -0.00 0.32 2.07 -1.01 -2.88 116.25 116.95 1smk h VAL 204 Ca 0.23 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1smk h VAL 204 Cb 0.15 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1smk h VAL 204 CO -0.03 0.39 -0.29 0.18 0.02 0.00 0.00 177.57 177.85 1smk n LEU 205 N -4.16 0.60 -2.75 2.57 4.77 -0.56 -4.94 117.00 112.53 1smk n LEU 205 Ca 0.01 -0.03 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 1smk n LEU 205 Cb 0.37 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1smk n LEU 205 CO 0.42 0.12 0.16 0.61 -1.33 0.00 0.00 177.39 177.37 1smk n GLY 206 N 1.40 -0.19 3.45 -0.72 0.00 0.93 -5.02 105.19 105.05 1smk n GLY 206 Ca 0.10 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1smk n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1smk s LEU 207 N -5.66 2.56 -0.04 0.99 1.43 -0.31 -5.04 118.68 112.61 1smk s LEU 207 Ca 0.41 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 1smk s LEU 207 Cb -0.18 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 1smk s LEU 207 CO 0.51 0.03 1.40 -0.62 0.23 0.00 0.00 176.35 177.90 1smk s ASP 208 N -3.35 6.85 0.61 2.29 -1.08 -1.26 -4.47 116.67 116.25 1smk s ASP 208 Ca 0.28 2.04 0.28 0.00 -0.52 0.00 0.00 52.55 54.63 1smk s ASP 208 Cb -0.05 -2.55 1.40 0.00 -1.46 0.00 0.00 42.92 40.25 1smk s ASP 208 CO 0.13 -0.75 1.80 1.55 0.52 0.00 0.00 175.17 178.43 1smk h PRO 209 N 8.15 0.00 0.00 4.34 0.13 -1.90 -0.30 132.00 142.42 1smk h PRO 209 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1smk h PRO 209 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1smk h PRO 209 CO 0.92 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.57 1smk h ARG 210 N 0.00 0.00 -0.59 0.86 3.08 -1.92 -1.81 114.38 114.00 1smk h ARG 210 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1smk h ARG 210 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1smk h ARG 210 CO -0.00 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.77 1smk n ASP 211 N -3.46 3.36 -4.32 7.04 8.00 -0.12 -4.89 116.55 122.15 1smk n ASP 211 Ca -0.01 -2.18 -0.31 0.00 0.71 0.00 0.00 54.79 52.99 1smk n ASP 211 Cb 0.28 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.78 1smk n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1smk s VAL 212 N -1.54 2.23 -0.06 2.53 1.01 -0.68 -4.01 120.40 119.88 1smk s VAL 212 Ca 0.38 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1smk s VAL 212 Cb 0.22 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1smk s VAL 212 CO 0.21 0.58 -0.05 -0.62 0.00 0.00 0.00 175.10 175.22 1smk s ASP 213 N -0.41 1.32 -0.24 3.32 2.15 0.11 -4.85 116.67 118.07 1smk s ASP 213 Ca 0.04 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.86 1smk s ASP 213 Cb -0.12 -0.55 0.06 0.00 -0.30 0.00 0.00 42.92 42.01 1smk s ASP 213 CO 0.01 -0.07 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.22 1smk s VAL 214 N 1.14 1.42 0.02 1.11 1.01 -1.26 -0.77 120.40 123.07 1smk s VAL 214 Ca -0.07 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1smk s VAL 214 Cb -0.14 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1smk s VAL 214 CO -0.01 -0.15 1.33 -2.16 0.00 0.00 0.00 175.10 174.10 1smk s PRO 215 N 1.44 4.33 -0.22 2.72 0.04 -1.26 -4.80 135.00 137.24 1smk s PRO 215 Ca -0.04 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 1smk s PRO 215 Cb -0.19 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.90 1smk s PRO 215 CO -0.07 -0.46 -0.08 0.08 0.04 0.00 0.00 177.00 176.51 1smk s VAL 216 N 1.86 2.97 0.54 -0.36 1.01 -1.26 -1.21 120.40 123.95 1smk s VAL 216 Ca 0.62 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1smk s VAL 216 Cb -0.31 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.71 1smk s VAL 216 CO 0.27 0.35 0.29 1.33 0.00 0.00 0.00 175.10 177.35 1smk n VAL 217 N 4.72 0.00 0.00 2.92 0.24 0.13 -4.50 118.33 121.83 1smk n VAL 217 Ca -0.18 -2.28 0.00 0.00 -2.04 0.00 0.00 64.34 59.84 1smk n VAL 217 Cb 0.49 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1smk n VAL 217 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1smk n GLY 218 N -1.55 1.24 0.44 7.63 0.00 0.45 -1.14 105.19 112.27 1smk n GLY 218 Ca -0.08 -0.93 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 1smk n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smk n GLY 219 N 0.00 4.07 0.92 -0.02 0.00 0.52 0.08 105.19 110.77 1smk n GLY 219 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1smk n GLY 219 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1smk n HIS 220 N -0.14 0.61 -3.71 1.61 -0.00 -1.26 -3.41 115.22 108.91 1smk n HIS 220 Ca -0.02 -1.56 -0.11 0.00 0.46 0.00 0.00 57.72 56.49 1smk n HIS 220 Cb 0.08 -0.39 -0.11 0.00 -0.12 0.00 0.00 29.99 29.45 1smk n HIS 220 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1smk s ALA 221 N -3.25 -0.95 0.00 1.57 0.00 -1.26 -4.87 121.76 113.00 1smk s ALA 221 Ca 0.42 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1smk s ALA 221 Cb 0.39 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1smk s ALA 221 CO -0.03 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1smk n GLY 222 N 3.91 2.40 0.00 0.00 0.00 -1.25 0.21 105.19 110.46 1smk n GLY 222 Ca -0.21 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1smk n GLY 222 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1smk n VAL 223 N 0.00 0.00 0.09 1.61 0.24 -1.26 -2.49 118.33 116.52 1smk n VAL 223 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1smk n VAL 223 Cb 0.00 -0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 1smk n VAL 223 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1smk h THR 224 N 0.00 1.35 -2.90 3.34 1.03 -0.54 -3.27 112.91 111.92 1smk h THR 224 Ca 0.00 -2.92 -0.56 0.00 -0.01 0.00 0.00 66.41 62.92 1smk h THR 224 Cb 0.00 2.67 -0.04 0.00 -1.07 0.00 0.00 68.15 69.71 1smk h THR 224 CO 0.00 0.77 1.01 -0.63 -0.01 0.00 0.00 175.52 176.66 1smk s ILE 225 N -2.81 3.99 -0.30 0.00 1.01 -1.04 -0.35 121.20 121.70 1smk s ILE 225 Ca 0.02 1.16 0.03 0.00 0.00 0.00 0.00 60.65 61.86 1smk s ILE 225 Cb 0.09 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.75 1smk s ILE 225 CO 0.79 -0.27 -0.00 -0.22 0.00 0.00 0.00 174.94 175.24 1smk s LEU 226 N 4.27 3.78 -0.16 2.97 2.96 -0.29 -4.80 118.68 127.41 1smk s LEU 226 Ca 0.62 -1.74 -0.25 0.00 -0.22 0.00 0.00 54.13 52.54 1smk s LEU 226 Cb -0.23 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1smk s LEU 226 CO 0.23 -0.31 0.82 -2.16 -1.32 0.00 0.00 176.35 173.61 1smk s PRO 227 N 1.11 4.31 -1.27 0.98 0.04 -1.26 -0.70 135.00 138.22 1smk s PRO 227 Ca 0.03 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.97 1smk s PRO 227 Cb -0.19 -3.56 0.16 0.00 0.04 0.00 0.00 34.50 30.95 1smk s PRO 227 CO -0.09 -0.29 1.80 1.28 0.04 0.00 0.00 177.00 179.75 1smk n LEU 228 N 5.08 6.39 0.02 -3.56 4.77 -0.35 -4.77 117.00 124.58 1smk n LEU 228 Ca 0.04 -4.60 0.22 0.00 -0.03 0.00 0.00 56.01 51.64 1smk n LEU 228 Cb 0.49 -1.51 0.73 0.00 -2.33 0.00 0.00 43.42 40.80 1smk n LEU 228 CO 0.48 1.25 1.20 -0.07 -1.33 0.00 0.00 177.39 178.92 1smk h LEU 229 N 8.27 0.00 -0.38 2.23 3.38 -1.93 0.62 115.31 127.50 1smk h LEU 229 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1smk h LEU 229 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1smk h LEU 229 CO 1.56 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.55 1smk n SER 230 N -3.93 0.53 -0.80 -0.43 3.41 -1.26 -2.65 113.62 108.49 1smk n SER 230 Ca 0.10 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.39 1smk n SER 230 Cb 0.69 -0.73 0.19 0.00 -0.26 0.00 0.00 64.21 64.09 1smk n SER 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smk n GLN 231 N -2.06 2.72 -1.92 4.33 6.02 0.22 -4.99 117.38 121.70 1smk n GLN 231 Ca 0.03 -2.15 -0.39 0.00 -0.01 0.00 0.00 57.00 54.48 1smk n GLN 231 Cb 0.27 -1.34 0.02 0.00 1.02 0.00 0.00 30.24 30.20 1smk n GLN 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1smk s VAL 232 N -1.01 2.34 -0.08 5.09 0.11 -1.08 -4.72 120.40 121.05 1smk s VAL 232 Ca 0.29 0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.67 1smk s VAL 232 Cb 0.15 -3.16 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1smk s VAL 232 CO 0.20 0.02 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.22 1smk s LYS 233 N -2.59 2.84 0.58 1.54 1.02 0.05 -3.01 119.74 120.17 1smk s LYS 233 Ca 0.64 -0.86 -0.17 0.00 0.02 0.00 0.00 55.97 55.59 1smk s LYS 233 Cb -0.39 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1smk s LYS 233 CO 0.49 0.29 1.08 -1.25 -0.92 0.00 0.00 175.35 175.04 1smk s PRO 234 N 0.07 3.30 -0.08 -1.68 0.04 -1.26 0.03 135.00 135.43 1smk s PRO 234 Ca -0.10 1.37 -0.37 0.00 0.04 0.00 0.00 61.00 61.95 1smk s PRO 234 Cb -0.16 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 1smk s PRO 234 CO 0.06 -0.85 1.66 -0.35 0.04 0.00 0.00 177.00 177.56 1smk n PRO 235 N -1.75 1.57 -3.66 0.56 -0.04 -1.16 -4.95 135.00 125.57 1smk n PRO 235 Ca 0.10 0.57 -0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1smk n PRO 235 Cb 0.52 -2.30 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1smk n PRO 235 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1smk s SER 236 N 2.59 -0.36 -0.18 3.54 0.01 -1.26 -5.13 113.70 112.90 1smk s SER 236 Ca 0.91 0.27 -0.06 0.00 1.31 0.00 0.00 55.95 58.38 1smk s SER 236 Cb -0.88 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.72 1smk s SER 236 CO 0.53 -0.55 0.02 -0.94 0.41 0.00 0.00 173.24 172.72 1smk s SER 237 N -1.43 5.15 0.05 2.44 1.04 -1.26 -4.94 113.70 114.76 1smk s SER 237 Ca -0.11 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1smk s SER 237 Cb -0.03 -1.87 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 1smk s SER 237 CO 0.05 0.13 0.15 -0.36 0.98 0.00 0.00 173.24 174.19 1smk s PHE 238 N 0.62 3.38 0.56 5.02 0.08 -1.26 -5.09 117.98 121.29 1smk s PHE 238 Ca 0.01 0.20 -0.17 0.00 0.12 0.00 0.00 56.93 57.08 1smk s PHE 238 Cb -0.14 -1.72 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 1smk s PHE 238 CO 0.02 0.57 1.05 0.95 -0.10 0.00 0.00 175.22 177.71 1smk s THR 239 N -1.42 3.78 0.48 0.64 -4.23 -1.26 -4.81 115.64 108.82 1smk s THR 239 Ca 0.31 0.92 0.26 0.00 -1.18 0.00 0.00 61.69 62.00 1smk s THR 239 Cb -0.13 -3.40 0.45 0.00 1.34 0.00 0.00 72.50 70.77 1smk s THR 239 CO 0.24 -0.42 1.84 -0.61 -0.54 0.00 0.00 174.62 175.12 1smk h GLN 240 N 0.76 0.18 -0.12 3.99 4.15 -1.99 0.56 115.11 122.64 1smk h GLN 240 Ca -0.48 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 58.71 1smk h GLN 240 Cb 1.22 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.88 1smk h GLN 240 CO 0.58 0.12 -0.82 1.49 -1.93 0.00 0.00 178.83 178.27 1smk h GLU 241 N 0.18 0.72 -0.29 1.69 4.81 -2.00 -2.58 114.58 117.11 1smk h GLU 241 Ca 0.50 -0.62 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 1smk h GLU 241 Cb 1.64 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 1smk h GLU 241 CO -0.11 1.22 -0.37 0.93 -0.73 0.00 0.00 179.01 179.95 1smk h GLU 242 N 0.48 0.67 -0.25 1.92 5.08 -1.30 -1.69 114.58 119.48 1smk h GLU 242 Ca -0.06 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1smk h GLU 242 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1smk h GLU 242 CO 0.16 0.93 0.11 0.82 -1.00 0.00 0.00 179.01 180.03 1smk h ILE 243 N 0.55 1.16 -0.34 3.13 2.04 -1.21 0.73 117.51 123.58 1smk h ILE 243 Ca 0.05 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1smk h ILE 243 Cb 0.89 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1smk h ILE 243 CO 0.08 0.17 0.19 -1.28 0.00 0.00 0.00 178.15 177.30 1smk h SER 244 N 0.27 0.42 0.39 1.72 0.87 -1.35 -0.78 113.55 115.08 1smk h SER 244 Ca 0.09 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1smk h SER 244 Cb 0.16 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1smk h SER 244 CO -0.01 0.38 -0.19 0.22 -0.53 0.00 0.00 176.83 176.71 1smk h TYR 245 N 0.43 -0.48 -0.22 2.24 3.20 -1.12 -1.70 116.97 119.31 1smk h TYR 245 Ca 0.12 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1smk h TYR 245 Cb 0.05 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1smk h TYR 245 CO -0.03 -0.23 0.07 -0.07 -1.64 0.00 0.00 178.16 176.26 1smk h LEU 246 N -0.65 0.07 -0.75 2.82 3.38 -0.85 0.13 115.31 119.46 1smk h LEU 246 Ca -0.05 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1smk h LEU 246 Cb 0.47 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1smk h LEU 246 CO 0.09 0.07 0.40 0.74 0.09 0.00 0.00 178.44 179.83 1smk h THR 247 N 0.17 0.88 -0.14 0.22 2.02 -1.13 0.62 112.91 115.54 1smk h THR 247 Ca 0.10 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1smk h THR 247 Cb 0.07 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1smk h THR 247 CO -0.10 0.12 -0.25 -0.78 0.37 0.00 0.00 175.52 174.88 1smk h ASP 248 N 0.68 0.46 -0.32 4.18 3.58 -0.81 -2.70 116.42 121.49 1smk h ASP 248 Ca 0.37 -0.54 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1smk h ASP 248 Cb 0.36 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1smk h ASP 248 CO -0.26 0.91 0.19 -0.09 -2.88 0.00 0.00 179.24 177.12 1smk h ARG 249 N 0.03 0.44 -0.34 0.28 2.43 -0.32 -1.50 114.38 115.40 1smk h ARG 249 Ca 0.01 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1smk h ARG 249 Cb 0.83 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 1smk h ARG 249 CO 0.06 0.34 0.03 0.82 -1.51 0.00 0.00 179.97 179.70 1smk h ILE 250 N 0.42 0.79 0.00 1.20 2.04 -0.94 0.14 117.51 121.15 1smk h ILE 250 Ca 0.12 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1smk h ILE 250 Cb 0.01 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1smk h ILE 250 CO -0.02 0.02 -0.09 1.56 0.00 0.00 0.00 178.15 179.62 1smk h GLN 251 N 0.14 0.00 -0.18 2.37 4.20 -1.14 -2.85 115.11 117.65 1smk h GLN 251 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1smk h GLN 251 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1smk h GLN 251 CO -0.25 0.09 0.00 0.09 -0.67 0.00 0.00 178.83 178.10 1smk n ASN 252 N -3.78 3.31 -0.20 1.46 3.02 -0.56 -3.97 115.26 114.53 1smk n ASN 252 Ca -0.02 -2.95 0.01 0.00 -0.03 0.00 0.00 54.58 51.58 1smk n ASN 252 Cb 0.20 -0.48 0.10 0.00 -0.61 0.00 0.00 39.78 38.99 1smk n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1smk h GLY 253 N 1.22 0.63 0.51 7.41 0.00 -0.51 -1.01 103.07 111.31 1smk h GLY 253 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.51 1smk h GLY 253 CO 0.14 -0.20 0.33 -1.33 0.00 0.00 0.00 176.54 175.48 1smk h GLY 254 N 0.10 1.00 1.25 4.60 0.00 -1.85 -1.96 103.07 106.22 1smk h GLY 254 Ca 0.32 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 1smk h GLY 254 CO -0.53 0.07 -0.12 -0.84 0.00 0.00 0.00 176.54 175.11 1smk h THR 255 N 0.58 1.26 -0.76 4.70 2.02 -1.61 -1.12 112.91 117.98 1smk h THR 255 Ca 0.33 -1.22 0.09 0.00 0.77 0.00 0.00 66.41 66.37 1smk h THR 255 Cb 0.33 1.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 1smk h THR 255 CO -0.25 0.42 0.41 -0.08 0.37 0.00 0.00 175.52 176.39 1smk h GLU 256 N 0.79 0.68 -0.03 6.66 4.81 -0.48 0.27 114.58 127.27 1smk h GLU 256 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1smk h GLU 256 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1smk h GLU 256 CO 0.04 0.45 -0.09 0.28 -0.73 0.00 0.00 179.01 178.96 1smk h VAL 257 N 0.70 1.45 -0.96 0.32 2.07 -1.14 -2.23 116.25 116.46 1smk h VAL 257 Ca 0.36 -1.47 0.12 0.00 0.82 0.00 0.00 66.70 66.53 1smk h VAL 257 Cb 0.34 2.35 -0.08 0.00 -1.52 0.00 0.00 31.29 32.38 1smk h VAL 257 CO -0.25 0.40 0.61 0.58 0.02 0.00 0.00 177.57 178.93 1smk h VAL 258 N -0.43 0.91 -0.51 2.57 2.07 -0.69 0.13 116.25 120.30 1smk h VAL 258 Ca -0.00 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1smk h VAL 258 Cb 0.69 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1smk h VAL 258 CO 0.02 0.17 -0.17 -0.33 0.02 0.00 0.00 177.57 177.28 1smk h GLU 259 N 0.91 1.00 -0.59 1.57 5.08 -0.46 -2.40 114.58 119.68 1smk h GLU 259 Ca 0.47 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1smk h GLU 259 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1smk h GLU 259 CO -0.23 1.08 0.05 0.00 -1.00 0.00 0.00 179.01 178.90 1smk h ALA 260 N 0.92 0.98 0.00 3.43 0.00 -0.36 -1.20 119.26 123.03 1smk h ALA 260 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1smk h ALA 260 Cb 0.74 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1smk h ALA 260 CO 0.06 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.57 1smk n LYS 261 N -4.21 0.49 -4.00 0.00 5.02 0.25 -4.91 118.16 110.80 1smk n LYS 261 Ca 0.03 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1smk n LYS 261 Cb 0.30 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 1smk n LYS 261 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1smk n ALA 262 N -1.21 -2.53 -1.84 7.82 0.00 -0.45 -1.20 120.51 121.10 1smk n ALA 262 Ca 0.14 -0.50 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1smk n ALA 262 Cb 0.18 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 1smk n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 263 N -1.93 0.32 1.19 0.00 0.00 -1.24 -4.93 105.19 98.59 1smk n GLY 263 Ca -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 1smk n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1smk n ALA 264 N -0.63 3.96 0.00 4.61 0.00 -0.34 -5.01 120.51 123.10 1smk n ALA 264 Ca -0.05 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.02 1smk n ALA 264 Cb 0.44 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1smk n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smk n GLY 265 N -0.86 -1.36 0.41 0.00 0.00 -1.26 -4.98 105.19 97.14 1smk n GLY 265 Ca 0.25 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 1smk n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1smk n SER 266 N 0.00 1.02 -4.58 1.61 3.41 -1.26 -4.47 113.62 109.35 1smk n SER 266 Ca 0.00 -1.27 -0.58 0.00 -0.26 0.00 0.00 58.87 56.76 1smk n SER 266 Cb 0.00 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1smk n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1smk n ALA 267 N -2.76 -2.18 0.06 7.33 0.00 -1.26 -4.81 120.51 116.88 1smk n ALA 267 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1smk n ALA 267 Cb 0.08 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1smk n ALA 267 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1smk n THR 268 N 2.47 0.46 -0.08 0.00 -1.04 -1.26 -4.67 114.28 110.15 1smk n THR 268 Ca 0.22 0.15 -0.11 0.00 -2.04 0.00 0.00 64.05 62.26 1smk n THR 268 Cb 0.10 -0.93 -0.05 0.00 -1.82 0.00 0.00 70.33 67.64 1smk n THR 268 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1smk h LEU 269 N 0.00 0.39 -1.26 -4.42 3.38 -1.87 -1.11 115.31 110.43 1smk h LEU 269 Ca 0.00 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1smk h LEU 269 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1smk h LEU 269 CO 0.00 0.60 -0.35 0.77 0.09 0.00 0.00 178.44 179.55 1smk h SER 270 N 0.17 0.03 0.33 -0.43 4.64 -1.97 -1.93 113.55 114.39 1smk h SER 270 Ca 0.07 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1smk h SER 270 Cb 0.40 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1smk h SER 270 CO 0.01 0.39 -0.16 -0.03 -0.87 0.00 0.00 176.83 176.17 1smk h MET 271 N 0.03 -0.43 -0.59 4.77 -1.53 -1.77 -1.38 114.93 114.03 1smk h MET 271 Ca 0.00 0.03 0.12 0.00 -3.44 0.00 0.00 59.70 56.41 1smk h MET 271 Cb 0.64 0.10 -0.11 0.00 -0.55 0.00 0.00 31.60 31.68 1smk h MET 271 CO 0.05 -0.11 -0.09 0.00 0.14 0.00 0.00 176.91 176.90 1smk h ALA 272 N -0.28 0.46 -0.27 0.39 0.00 -1.07 0.19 119.26 118.68 1smk h ALA 272 Ca -0.05 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1smk h ALA 272 Cb 0.51 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1smk h ALA 272 CO 0.07 -0.42 -0.12 -0.92 0.00 0.00 0.00 179.25 177.86 1smk h TYR 273 N 0.04 -0.29 -0.44 0.00 3.20 -1.27 0.40 116.97 118.61 1smk h TYR 273 Ca 0.29 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 1smk h TYR 273 Cb 0.46 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1smk h TYR 273 CO -0.43 -0.19 -0.01 0.00 -1.64 0.00 0.00 178.16 175.88 1smk h ALA 274 N 1.14 0.60 -0.70 1.82 0.00 -0.05 -1.68 119.26 120.38 1smk h ALA 274 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1smk h ALA 274 Cb 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1smk h ALA 274 CO -0.32 0.40 0.38 0.00 0.00 0.00 0.00 179.25 179.71 1smk h ALA 275 N 0.90 1.35 -0.44 0.00 0.00 -0.37 -0.92 119.26 119.78 1smk h ALA 275 Ca 0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1smk h ALA 275 Cb 0.51 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1smk h ALA 275 CO 0.03 0.53 -0.26 0.28 0.00 0.00 0.00 179.25 179.82 1smk h VAL 276 N 0.98 1.27 -0.10 0.00 2.07 -0.71 0.14 116.25 119.90 1smk h VAL 276 Ca 0.25 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1smk h VAL 276 Cb 0.03 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1smk h VAL 276 CO -0.04 0.49 -0.22 0.50 0.02 0.00 0.00 177.57 178.32 1smk h LYS 277 N 0.78 0.17 0.02 1.57 3.64 -0.78 -0.23 116.57 121.75 1smk h LYS 277 Ca 0.09 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1smk h LYS 277 Cb 0.85 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1smk h LYS 277 CO 0.07 0.39 -0.37 0.35 -2.27 0.00 0.00 179.45 177.63 1smk h PHE 278 N 0.16 0.33 -0.28 1.91 3.57 -0.88 -2.53 116.94 119.21 1smk h PHE 278 Ca 0.03 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.39 1smk h PHE 278 Cb 0.48 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1smk h PHE 278 CO 0.01 1.04 -0.06 0.00 -2.23 0.00 0.00 178.31 177.07 1smk h ALA 279 N 0.20 0.19 -0.88 2.41 0.00 -0.56 0.24 119.26 120.86 1smk h ALA 279 Ca -0.05 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1smk h ALA 279 Cb 1.16 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1smk h ALA 279 CO 0.07 -0.46 0.57 0.22 0.00 0.00 0.00 179.25 179.65 1smk h ASP 280 N 0.01 0.79 -0.50 0.00 3.58 -1.10 -0.23 116.42 118.97 1smk h ASP 280 Ca 0.13 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 1smk h ASP 280 Cb 0.20 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1smk h ASP 280 CO -0.28 0.47 0.28 0.00 -2.88 0.00 0.00 179.24 176.83 1smk h ALA 281 N 1.56 0.63 -0.27 -0.78 0.00 -0.55 0.21 119.26 120.06 1smk h ALA 281 Ca 0.40 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1smk h ALA 281 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1smk h ALA 281 CO -0.17 0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.40 1smk h LEU 283 N 0.35 0.18 -1.80 0.00 3.38 -0.63 0.41 115.31 117.20 1smk h LEU 283 Ca 0.10 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1smk h LEU 283 Cb -0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1smk h LEU 283 CO -0.03 0.14 0.38 0.03 0.09 0.00 0.00 178.44 179.04 1smk h ARG 284 N 0.24 0.21 -0.17 1.13 3.08 -0.31 0.40 114.38 118.96 1smk h ARG 284 Ca 0.08 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1smk h ARG 284 Cb 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.01 1smk h ARG 284 CO -0.04 0.14 -0.60 0.78 -1.07 0.00 0.00 179.97 179.17 1smk h GLY 285 N 0.21 0.78 1.81 0.04 0.00 0.60 0.13 103.07 106.64 1smk h GLY 285 Ca 0.26 -1.04 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 1smk h GLY 285 CO -0.05 0.92 -0.39 1.41 0.00 0.00 0.00 176.54 178.43 1smk h LEU 286 N 0.40 0.22 -1.41 3.11 3.38 0.18 -0.97 115.31 120.22 1smk h LEU 286 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1smk h LEU 286 Cb 1.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1smk h LEU 286 CO 0.13 0.60 0.00 -0.09 0.09 0.00 0.00 178.44 179.17 1smk h ARG 287 N 0.18 0.00 0.00 1.13 2.43 -0.26 -3.42 114.38 114.45 1smk h ARG 287 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1smk h ARG 287 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1smk h ARG 287 CO 0.06 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 1smk n GLY 288 N -0.17 1.09 3.74 2.80 0.00 -0.63 -5.04 105.19 106.97 1smk n GLY 288 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1smk n GLY 288 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smk s ASP 289 N -2.00 4.75 0.13 1.61 1.11 0.01 -4.97 116.67 117.30 1smk s ASP 289 Ca 0.00 2.35 -0.05 0.00 0.18 0.00 0.00 52.55 55.03 1smk s ASP 289 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1smk s ASP 289 CO 0.00 -1.89 0.36 0.00 1.18 0.00 0.00 175.17 174.82 1smk s ALA 290 N -1.82 3.81 -1.14 5.23 0.00 -1.26 -4.48 121.76 122.10 1smk s ALA 290 Ca 0.75 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1smk s ALA 290 Cb -0.29 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1smk s ALA 290 CO 0.39 0.67 0.00 0.41 0.00 0.00 0.00 175.76 177.24 1smk n GLY 291 N 0.21 0.56 3.50 0.00 0.00 -1.26 -4.96 105.19 103.24 1smk n GLY 291 Ca -0.03 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1smk n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1smk s VAL 292 N -2.52 4.30 -0.16 1.61 1.01 -1.26 -4.97 120.40 118.40 1smk s VAL 292 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1smk s VAL 292 Cb 0.00 -4.87 0.01 0.00 0.00 0.00 0.00 36.38 31.53 1smk s VAL 292 CO 0.00 -1.67 -0.19 -0.63 0.00 0.00 0.00 175.10 172.60 1smk s ILE 293 N 3.97 2.20 0.19 2.22 1.01 -1.26 0.27 121.20 129.80 1smk s ILE 293 Ca 0.35 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1smk s ILE 293 Cb -0.06 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 1smk s ILE 293 CO -0.04 0.53 0.04 -1.61 0.00 0.00 0.00 174.94 173.87 1smk s GLU 294 N 1.06 1.16 0.02 2.79 0.41 -0.35 -4.89 118.70 118.89 1smk s GLU 294 Ca -0.01 -1.58 -0.15 0.00 -0.41 0.00 0.00 54.97 52.82 1smk s GLU 294 Cb -0.14 -0.16 -0.06 0.00 -1.78 0.00 0.00 34.13 31.98 1smk s GLU 294 CO -0.07 -0.20 0.43 0.00 -0.49 0.00 0.00 175.26 174.94 1smk s ALA 296 N -1.11 -1.65 -0.54 0.00 0.00 -1.04 -4.37 121.76 113.05 1smk s ALA 296 Ca 0.25 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1smk s ALA 296 Cb -0.17 0.75 0.06 0.00 0.00 0.00 0.00 23.12 23.77 1smk s ALA 296 CO 0.15 -0.76 0.71 0.12 0.00 0.00 0.00 175.76 175.98 1smk s PHE 297 N -3.58 2.97 0.41 0.00 5.36 -0.08 -2.68 117.98 120.39 1smk s PHE 297 Ca 0.03 -0.52 0.03 0.00 -0.96 0.00 0.00 56.93 55.52 1smk s PHE 297 Cb -0.01 -3.75 -0.03 0.00 -0.34 0.00 0.00 43.02 38.89 1smk s PHE 297 CO -0.11 -1.17 0.11 0.14 -1.46 0.00 0.00 175.22 172.73 1smk s VAL 298 N 2.96 0.72 -0.22 3.12 -7.23 -1.00 0.30 120.40 119.05 1smk s VAL 298 Ca 0.18 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1smk s VAL 298 Cb -0.19 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1smk s VAL 298 CO 0.12 0.00 1.04 -0.55 -0.31 0.00 0.00 175.10 175.40 1smk s SER 299 N -3.63 7.11 0.20 4.85 0.15 -1.26 -1.20 113.70 119.92 1smk s SER 299 Ca 0.23 1.39 -0.06 0.00 0.70 0.00 0.00 55.95 58.21 1smk s SER 299 Cb 0.03 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1smk s SER 299 CO 0.13 -0.65 0.26 -0.94 1.20 0.00 0.00 173.24 173.24 1smk s SER 300 N 1.19 0.07 -0.08 5.45 1.04 -0.67 -4.94 113.70 115.77 1smk s SER 300 Ca 0.44 -1.15 0.11 0.00 0.48 0.00 0.00 55.95 55.83 1smk s SER 300 Cb -0.15 0.45 0.17 0.00 0.10 0.00 0.00 66.02 66.59 1smk s SER 300 CO 0.07 -0.93 1.07 0.00 0.98 0.00 0.00 173.24 174.43 1smk n GLN 301 N -0.28 1.58 0.22 4.02 3.00 -1.26 -4.47 117.38 120.19 1smk n GLN 301 Ca -0.01 -2.06 0.07 0.00 -0.01 0.00 0.00 57.00 54.99 1smk n GLN 301 Cb 0.64 -1.23 0.52 0.00 0.00 0.00 0.00 30.24 30.17 1smk n GLN 301 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1smk h VAL 302 N 0.75 0.98 -2.79 5.09 2.07 -1.93 -3.44 116.25 116.98 1smk h VAL 302 Ca 0.00 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1smk h VAL 302 Cb 0.90 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1smk h VAL 302 CO 0.00 0.22 0.00 0.35 0.02 0.00 0.00 177.57 178.16 1smk n THR 303 N -4.00 0.00 0.17 2.57 -2.24 -1.26 -4.83 114.28 104.69 1smk n THR 303 Ca -0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 1smk n THR 303 Cb 0.31 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.62 1smk n THR 303 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1smk h GLU 304 N 0.00 0.00 -6.98 -0.78 9.09 -1.92 -3.46 114.58 110.53 1smk h GLU 304 Ca 0.00 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 58.94 1smk h GLU 304 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1smk h GLU 304 CO 0.00 0.26 0.38 -0.51 0.05 0.00 0.00 179.01 179.19 1smk s LEU 305 N -6.31 4.11 0.34 3.06 1.02 -1.26 -4.96 118.68 114.68 1smk s LEU 305 Ca 0.05 1.92 0.05 0.00 0.02 0.00 0.00 54.13 56.17 1smk s LEU 305 Cb 0.06 -4.26 0.62 0.00 0.02 0.00 0.00 46.19 42.64 1smk s LEU 305 CO 0.71 -0.41 1.88 1.55 0.02 0.00 0.00 176.35 180.10 1smk h PRO 306 N 2.42 0.49 -4.73 1.29 0.13 -1.89 -3.43 132.00 126.28 1smk h PRO 306 Ca -0.48 -0.11 -0.53 0.00 -0.87 0.00 0.00 66.00 64.01 1smk h PRO 306 Cb 1.20 -0.07 -0.33 0.00 0.13 0.00 0.00 31.00 31.93 1smk h PRO 306 CO 0.62 0.53 -0.82 -0.06 -0.23 0.00 0.00 178.00 178.04 1smk s PHE 307 N -4.93 1.57 -0.03 1.56 0.40 -1.26 -1.66 117.98 113.62 1smk s PHE 307 Ca -0.07 -0.56 -0.24 0.00 -0.60 0.00 0.00 56.93 55.45 1smk s PHE 307 Cb 0.15 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.61 1smk s PHE 307 CO 0.76 -0.27 0.53 0.12 0.70 0.00 0.00 175.22 177.07 1smk s PHE 308 N 0.52 -0.47 -0.20 0.36 5.36 -0.34 -4.93 117.98 118.29 1smk s PHE 308 Ca -0.13 0.77 -0.12 0.00 -0.96 0.00 0.00 56.93 56.49 1smk s PHE 308 Cb -0.15 0.29 -0.05 0.00 -0.34 0.00 0.00 43.02 42.77 1smk s PHE 308 CO 0.04 -0.53 0.24 0.00 -1.46 0.00 0.00 175.22 173.51 1smk s ALA 309 N -1.30 3.61 0.40 11.12 0.00 0.11 -2.38 121.76 133.32 1smk s ALA 309 Ca -0.12 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 1smk s ALA 309 Cb -0.02 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.79 1smk s ALA 309 CO 0.07 -0.03 0.80 -1.54 0.00 0.00 0.00 175.76 175.06 1smk s SER 310 N 0.69 0.05 0.27 0.00 1.04 -1.09 -0.41 113.70 114.25 1smk s SER 310 Ca 0.13 -1.22 -0.30 0.00 0.48 0.00 0.00 55.95 55.04 1smk s SER 310 Cb -0.13 0.87 -0.10 0.00 0.10 0.00 0.00 66.02 66.76 1smk s SER 310 CO 0.03 -1.73 1.39 -0.54 0.98 0.00 0.00 173.24 173.37 1smk s LYS 311 N -2.11 4.30 0.06 4.02 -0.14 -1.26 -2.49 119.74 122.11 1smk s LYS 311 Ca 0.16 2.26 0.02 0.00 -1.36 0.00 0.00 55.97 57.05 1smk s LYS 311 Cb -0.05 -3.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.96 1smk s LYS 311 CO 0.12 -0.35 -0.06 0.14 -0.76 0.00 0.00 175.35 174.44 1smk s VAL 312 N -0.29 0.51 -0.15 3.17 -7.23 0.14 -0.93 120.40 115.62 1smk s VAL 312 Ca 0.56 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 1smk s VAL 312 Cb -0.41 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1smk s VAL 312 CO 0.46 -0.60 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.03 1smk s ARG 313 N -2.45 3.62 -0.12 4.82 3.52 -0.07 -1.21 118.95 127.05 1smk s ARG 313 Ca -0.03 -0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 1smk s ARG 313 Cb -0.04 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.36 1smk s ARG 313 CO -0.02 0.32 0.23 -0.51 -0.81 0.00 0.00 175.30 174.51 1smk s LEU 314 N 0.16 4.33 0.00 -0.88 1.43 0.14 0.56 118.68 124.42 1smk s LEU 314 Ca 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1smk s LEU 314 Cb -0.13 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1smk s LEU 314 CO 0.02 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1smk n GLY 315 N 2.64 4.78 0.18 -3.19 0.00 0.23 -4.44 105.19 105.38 1smk n GLY 315 Ca -0.16 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.43 1smk n GLY 315 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1smk h ARG 316 N 0.00 0.00 0.00 1.61 3.08 -1.47 -1.71 114.38 115.89 1smk h ARG 316 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1smk h ARG 316 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1smk h ARG 316 CO 0.00 0.00 -0.02 0.09 -1.07 0.00 0.00 179.97 178.97 1smk n ASN 317 N -2.26 2.18 0.00 7.04 4.13 -1.26 -4.80 115.26 120.28 1smk n ASN 317 Ca -0.01 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.35 1smk n ASN 317 Cb 0.12 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.00 1smk n ASN 317 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1smk n GLY 318 N -1.25 0.96 3.60 7.41 0.00 -0.65 -4.44 105.19 110.81 1smk n GLY 318 Ca 0.13 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1smk n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1smk s ILE 319 N 0.00 4.35 0.06 -0.61 1.01 -0.22 0.75 121.20 126.53 1smk s ILE 319 Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 60.65 61.94 1smk s ILE 319 Cb 0.00 -4.51 -0.22 0.00 0.01 0.00 0.00 42.46 37.73 1smk s ILE 319 CO 0.00 -0.84 1.05 -0.33 0.00 0.00 0.00 174.94 174.81 1smk h GLU 320 N 8.93 0.02 -1.80 2.79 4.39 -0.20 -3.46 114.58 125.25 1smk h GLU 320 Ca -0.23 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1smk h GLU 320 Cb 1.07 0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 29.52 1smk h GLU 320 CO 1.08 0.85 0.33 -2.00 -1.16 0.00 0.00 179.01 178.11 1smk s GLU 321 N -2.67 0.81 -0.21 2.33 2.12 -1.20 -4.98 118.70 114.91 1smk s GLU 321 Ca -0.02 0.35 -0.05 0.00 0.36 0.00 0.00 54.97 55.61 1smk s GLU 321 Cb 0.09 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 1smk s GLU 321 CO 0.83 -0.22 0.01 0.08 -0.54 0.00 0.00 175.26 175.41 1smk s VAL 322 N -0.80 4.00 0.18 3.70 1.01 -1.26 -0.89 120.40 126.33 1smk s VAL 322 Ca -0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1smk s VAL 322 Cb -0.01 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 1smk s VAL 322 CO 0.04 0.42 0.51 -0.31 0.00 0.00 0.00 175.10 175.76 1smk s TYR 323 N 1.05 3.50 1.12 5.22 2.02 -0.11 -4.99 117.35 125.17 1smk s TYR 323 Ca 0.02 0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 57.46 1smk s TYR 323 Cb -0.14 -2.24 0.26 0.00 -0.40 0.00 0.00 41.96 39.44 1smk s TYR 323 CO 0.02 0.36 1.05 0.45 -1.57 0.00 0.00 175.55 175.86 1smk s SER 324 N -2.13 1.24 0.44 2.29 0.15 -1.26 -4.36 113.70 110.07 1smk s SER 324 Ca 0.42 1.70 0.24 0.00 0.70 0.00 0.00 55.95 59.01 1smk s SER 324 Cb -0.13 -2.40 0.85 0.00 -1.71 0.00 0.00 66.02 62.64 1smk s SER 324 CO 0.21 -4.07 1.80 -0.07 1.20 0.00 0.00 173.24 172.30 1smk h LEU 325 N -2.53 0.00 0.00 3.45 3.38 -1.97 -3.43 115.31 114.21 1smk h LEU 325 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1smk h LEU 325 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1smk h LEU 325 CO 0.48 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.83 1smk n GLY 326 N 0.29 -1.61 3.68 0.83 0.00 -1.26 -4.84 105.19 102.27 1smk n GLY 326 Ca 0.01 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1smk n GLY 326 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1smk s PRO 327 N 0.00 4.37 -0.05 1.61 0.04 -1.26 -5.05 135.00 134.66 1smk s PRO 327 Ca 0.00 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.51 1smk s PRO 327 Cb 0.00 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 1smk s PRO 327 CO 0.00 -0.43 -0.14 -0.51 0.04 0.00 0.00 177.00 175.96 1smk s LEU 328 N 2.39 2.76 0.89 -3.56 1.43 -1.26 -4.78 118.68 116.55 1smk s LEU 328 Ca 0.49 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1smk s LEU 328 Cb -0.19 -1.57 0.19 0.00 0.03 0.00 0.00 46.19 44.66 1smk s LEU 328 CO 0.16 0.34 1.22 0.54 0.23 0.00 0.00 176.35 178.84 1smk s ASN 329 N -0.77 3.40 0.13 2.29 2.20 -1.26 -4.71 114.94 116.21 1smk s ASN 329 Ca 0.12 -0.05 -0.24 0.00 -0.94 0.00 0.00 52.86 51.75 1smk s ASN 329 Cb -0.11 -0.04 -0.02 0.00 -2.00 0.00 0.00 41.25 39.07 1smk s ASN 329 CO 0.01 -2.52 1.64 -0.08 -2.94 0.00 0.00 177.10 173.21 1smk h GLU 330 N -1.31 -0.30 -0.37 3.55 4.57 -2.00 0.45 114.58 119.17 1smk h GLU 330 Ca -0.41 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 57.85 1smk h GLU 330 Cb 1.24 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 29.81 1smk h GLU 330 CO 0.35 -0.20 -0.52 -0.92 -1.18 0.00 0.00 179.01 176.55 1smk h TYR 331 N -0.31 -1.56 -0.45 0.92 3.20 -1.99 0.23 116.97 117.01 1smk h TYR 331 Ca 0.09 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1smk h TYR 331 Cb 0.43 0.73 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1smk h TYR 331 CO -0.31 -0.49 0.20 0.93 -1.64 0.00 0.00 178.16 176.85 1smk h GLU 332 N -0.40 0.63 -0.75 1.82 5.08 -1.82 -0.12 114.58 119.02 1smk h GLU 332 Ca 0.09 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1smk h GLU 332 Cb 0.61 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1smk h GLU 332 CO -0.57 0.51 0.48 -0.09 -1.00 0.00 0.00 179.01 178.34 1smk h ARG 333 N 0.64 1.00 -0.34 2.33 2.43 0.18 0.16 114.38 120.78 1smk h ARG 333 Ca 0.16 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 1smk h ARG 333 Cb 0.10 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1smk h ARG 333 CO -0.02 0.68 -0.42 0.82 -1.51 0.00 0.00 179.97 179.53 1smk h ILE 334 N 1.02 1.28 -0.36 1.20 2.04 0.34 -2.64 117.51 120.39 1smk h ILE 334 Ca 0.27 -1.60 -0.06 0.00 1.00 0.00 0.00 64.86 64.48 1smk h ILE 334 Cb -0.08 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1smk h ILE 334 CO -0.06 0.53 -0.02 1.23 0.00 0.00 0.00 178.15 179.83 1smk h GLY 335 N 0.84 0.62 1.09 5.37 0.00 -0.43 -2.30 103.07 108.27 1smk h GLY 335 Ca 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1smk h GLY 335 CO 0.10 0.36 0.05 -2.00 0.00 0.00 0.00 176.54 175.05 1smk h LEU 336 N 0.55 1.06 -0.65 3.11 5.85 -0.55 0.91 115.31 125.59 1smk h LEU 336 Ca 0.11 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1smk h LEU 336 Cb 0.38 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1smk h LEU 336 CO 0.01 1.08 0.41 -0.08 -0.34 0.00 0.00 178.44 179.52 1smk h GLU 337 N 1.01 0.80 0.25 1.25 4.81 -1.07 0.17 114.58 121.79 1smk h GLU 337 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1smk h GLU 337 Cb 0.50 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1smk h GLU 337 CO 0.02 0.53 -0.12 0.87 -0.73 0.00 0.00 179.01 179.58 1smk h LYS 338 N 0.82 -0.32 -0.13 1.92 1.57 -0.96 -2.56 116.57 116.91 1smk h LYS 338 Ca 0.25 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1smk h LYS 338 Cb -0.03 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1smk h LYS 338 CO -0.08 -0.16 -0.17 0.00 -0.57 0.00 0.00 179.45 178.47 1smk h ALA 339 N 0.33 -0.10 -0.90 3.86 0.00 -0.45 -2.47 119.26 119.54 1smk h ALA 339 Ca -0.03 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1smk h ALA 339 Cb 0.31 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1smk h ALA 339 CO 0.06 -0.62 0.58 0.87 0.00 0.00 0.00 179.25 180.13 1smk h LYS 340 N -0.21 0.69 -0.01 0.00 1.57 -0.62 0.11 116.57 118.11 1smk h LYS 340 Ca 0.10 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1smk h LYS 340 Cb 0.35 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1smk h LYS 340 CO -0.26 0.46 -0.01 0.87 -0.57 0.00 0.00 179.45 179.94 1smk h LYS 341 N 0.71 0.02 -0.40 3.15 1.57 -1.02 -1.66 116.57 118.95 1smk h LYS 341 Ca 0.45 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 59.09 1smk h LYS 341 Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1smk h LYS 341 CO -0.21 0.49 -0.29 1.49 -0.57 0.00 0.00 179.45 180.36 1smk h GLU 342 N -0.45 0.86 -0.59 3.15 4.81 -1.15 -3.04 114.58 118.18 1smk h GLU 342 Ca 0.00 -0.39 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1smk h GLU 342 Cb 0.49 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1smk h GLU 342 CO 0.00 1.03 0.03 1.25 -0.73 0.00 0.00 179.01 180.59 1smk h LEU 343 N 0.73 0.99 -0.60 1.64 5.85 -0.84 -1.00 115.31 122.07 1smk h LEU 343 Ca 0.08 -0.29 0.11 0.00 0.84 0.00 0.00 57.88 58.62 1smk h LEU 343 Cb 0.84 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 1smk h LEU 343 CO 0.07 1.04 0.15 0.00 -0.34 0.00 0.00 178.44 179.36 1smk h ALA 344 N 0.99 0.73 -0.32 1.25 0.00 -1.24 0.19 119.26 120.86 1smk h ALA 344 Ca 0.17 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1smk h ALA 344 Cb 0.51 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1smk h ALA 344 CO 0.02 -0.28 -0.24 0.78 0.00 0.00 0.00 179.25 179.53 1smk h GLY 345 N 0.29 0.67 1.16 0.00 0.00 -1.34 -2.12 103.07 101.73 1smk h GLY 345 Ca 0.31 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1smk h GLY 345 CO -0.38 0.51 -0.35 1.76 0.00 0.00 0.00 176.54 178.07 1smk h SER 346 N 0.54 0.98 -0.61 0.19 0.02 0.25 -1.83 113.55 113.10 1smk h SER 346 Ca 0.08 -0.43 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 1smk h SER 346 Cb 0.70 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1smk h SER 346 CO 0.05 1.22 0.00 0.40 -1.14 0.00 0.00 176.83 177.37 1smk h ILE 347 N 0.76 1.27 0.91 3.27 2.04 -0.64 -2.30 117.51 122.82 1smk h ILE 347 Ca 0.07 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1smk h ILE 347 Cb 0.94 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1smk h ILE 347 CO 0.09 0.42 -0.47 -0.08 0.00 0.00 0.00 178.15 178.11 1smk h GLU 348 N 0.98 -1.22 -0.99 2.37 4.57 -1.23 0.03 114.58 119.09 1smk h GLU 348 Ca 0.17 0.08 0.30 0.00 -1.18 0.00 0.00 59.36 58.74 1smk h GLU 348 Cb 0.56 0.28 -0.14 0.00 -0.16 0.00 0.00 28.75 29.28 1smk h GLU 348 CO 0.03 -0.81 0.55 -0.22 -1.18 0.00 0.00 179.01 177.38 1smk h LYS 349 N -1.27 0.35 0.01 1.92 3.64 -1.27 1.00 116.57 120.96 1smk h LYS 349 Ca -0.12 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1smk h LYS 349 Cb 0.98 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1smk h LYS 349 CO 0.18 0.23 -0.01 0.78 -2.27 0.00 0.00 179.45 178.37 1smk h GLY 350 N 0.36 -0.02 0.79 5.01 0.00 -1.01 -2.86 103.07 105.35 1smk h GLY 350 Ca 0.71 0.01 0.04 0.00 0.00 0.00 0.00 47.33 48.08 1smk h GLY 350 CO -0.59 -0.01 0.35 -2.08 0.00 0.00 0.00 176.54 174.21 1smk h VAL 351 N -0.47 1.02 -0.61 4.60 2.07 0.90 -2.81 116.25 120.96 1smk h VAL 351 Ca -0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.35 1smk h VAL 351 Cb 0.45 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1smk h VAL 351 CO 0.00 0.12 0.31 0.28 0.02 0.00 0.00 177.57 178.30 1smk h SER 352 N 0.67 0.42 -0.96 0.57 0.02 -0.91 0.34 113.55 113.70 1smk h SER 352 Ca 0.25 0.04 0.28 0.00 -0.84 0.00 0.00 61.79 61.52 1smk h SER 352 Cb 0.09 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1smk h SER 352 CO -0.13 0.27 0.83 0.15 -1.14 0.00 0.00 176.83 176.81 1smk h PHE 353 N 0.57 0.00 0.00 3.45 3.57 -1.25 0.41 116.94 123.69 1smk h PHE 353 Ca 0.28 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.44 1smk h PHE 353 Cb 0.22 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 1smk h PHE 353 CO -0.10 0.00 -2.19 -0.89 -2.23 0.00 0.00 178.31 172.89 1smk n ILE 354 N -3.83 1.18 0.09 1.41 2.08 -0.78 -4.53 119.36 114.98 1smk n ILE 354 Ca 0.20 -0.36 0.05 0.00 0.56 0.00 0.00 62.75 63.21 1smk n ILE 354 Cb 1.15 -1.58 0.49 0.00 -0.75 0.00 0.00 39.64 38.95 1smk n ILE 354 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1smk h ARG 355 N -0.48 0.34 -0.02 0.38 2.47 -0.49 -3.51 114.38 113.07 1smk h ARG 355 Ca -0.51 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1smk h ARG 355 Cb 1.57 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1smk h ARG 355 CO -0.23 0.25 0.00 0.43 0.56 0.00 0.00 179.97 180.98